USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 889 hydrogens (40 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC H2D : A 201 HEC O2D : A 201 HEC CGD :(short bond) USER MOD NoAdj-H: A 201 HEC H2A : A 201 HEC O2A : A 201 HEC CGA :(short bond) USER MOD Set 1.1: A 102 THR OG1 : rot -85:sc= 0.644 USER MOD Set 1.2: A 103 ASN : amide:sc= -5.98! K(o=-5.3!,f=-1.7) USER MOD Set 2.1: A 67 TYR OH : rot -148:sc= 1.04 USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= -0.518 USER MOD Set 3.1: A 31 ASN : amide:sc= -12.5! C(o=-26!,f=-31!) USER MOD Set 3.2: A 33 HIS : no HE2:sc= -13.7! C(o=-26!,f=-38!) USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.0352 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -144:sc= -0.388 (180deg=-1.75!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -2.07! C(o=-2.1!,f=-3.8!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0.807 K(o=0.81,f=-1.9!) USER MOD Single : A 19 THR OG1 : rot -139:sc= 1.18 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 157:sc= -0.0338 (180deg=-0.285) USER MOD Single : A 26 HIS : no HD1:sc= -0.0745 K(o=-0.074,f=-3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.163) USER MOD Single : A 40 THR OG1 : rot 87:sc= -0.13 USER MOD Single : A 42 GLN : amide:sc= -0.995 X(o=-1,f=-0.78) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -92:sc= -0.384 USER MOD Single : A 49 THR OG1 : rot 133:sc= -0.475 USER MOD Single : A 52 ASN : amide:sc= -1.93 K(o=-1.9,f=-7.2!) USER MOD Single : A 53 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.373) USER MOD Single : A 54 ASN : amide:sc= -9.87! C(o=-9.9!,f=-4.5!) USER MOD Single : A 55 LYS NZ :NH3+ -136:sc= -0.546 (180deg=-1.98) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.074 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 92:sc= -2.88! USER MOD Single : A 65 MET CE :methyl -178:sc= 0 (180deg=-0.00345) USER MOD Single : A 70 ASN : amide:sc= -7.2! K(o=-7.2!,f=-1.7) USER MOD Single : A 72 LYS NZ :NH3+ -147:sc= -2.32! (180deg=-4.03!) USER MOD Single : A 73 LYS NZ :NH3+ 153:sc= -0.0759 (180deg=-0.513) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 161:sc= -0.0601 (180deg=-0.815) USER MOD Single : A 80 MET CE :methyl -170:sc= -1.1 (180deg=-1.52) USER MOD Single : A 86 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0535) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 143:sc= 0.128 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 162:sc=-0.00192 (180deg=-0.524) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 73.518 10.712 -6.352 1.00 0.00 N ATOM 2 CA GLY A 1 74.461 9.644 -6.787 1.00 0.00 C ATOM 3 C GLY A 1 73.841 8.851 -7.933 1.00 0.00 C ATOM 4 O GLY A 1 72.629 8.638 -7.969 1.00 0.00 O ATOM 0 H1 GLY A 1 73.862 11.635 -6.684 1.00 0.00 H new ATOM 0 H2 GLY A 1 72.577 10.529 -6.754 1.00 0.00 H new ATOM 0 H3 GLY A 1 73.456 10.718 -5.314 1.00 0.00 H new ATOM 0 HA2 GLY A 1 75.405 10.086 -7.106 1.00 0.00 H new ATOM 0 HA3 GLY A 1 74.686 8.981 -5.952 1.00 0.00 H new ATOM 10 N ASP A 2 74.681 8.417 -8.869 1.00 0.00 N ATOM 11 CA ASP A 2 74.208 7.647 -10.017 1.00 0.00 C ATOM 12 C ASP A 2 74.587 6.179 -9.872 1.00 0.00 C ATOM 13 O ASP A 2 75.634 5.748 -10.351 1.00 0.00 O ATOM 14 CB ASP A 2 74.816 8.203 -11.304 1.00 0.00 C ATOM 15 CG ASP A 2 74.344 9.636 -11.528 1.00 0.00 C ATOM 16 OD1 ASP A 2 73.143 9.851 -11.521 1.00 0.00 O ATOM 17 OD2 ASP A 2 75.190 10.497 -11.703 1.00 0.00 O1- ATOM 0 H ASP A 2 75.687 8.584 -8.856 1.00 0.00 H new ATOM 0 HA ASP A 2 73.122 7.729 -10.060 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.904 8.175 -11.243 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.528 7.580 -12.151 1.00 0.00 H new ATOM 22 N VAL A 3 73.722 5.416 -9.214 1.00 0.00 N ATOM 23 CA VAL A 3 73.970 3.996 -9.019 1.00 0.00 C ATOM 24 C VAL A 3 74.332 3.335 -10.344 1.00 0.00 C ATOM 25 O VAL A 3 74.890 2.238 -10.370 1.00 0.00 O ATOM 26 CB VAL A 3 72.722 3.330 -8.431 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.505 3.669 -9.294 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.919 1.812 -8.399 1.00 0.00 C ATOM 0 H VAL A 3 72.849 5.755 -8.810 1.00 0.00 H new ATOM 0 HA VAL A 3 74.804 3.876 -8.328 1.00 0.00 H new ATOM 0 HB VAL A 3 72.560 3.697 -7.417 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.618 3.194 -8.874 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.363 4.750 -9.315 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.666 3.305 -10.309 1.00 0.00 H new ATOM 0 HG21 VAL A 3 72.031 1.339 -7.981 1.00 0.00 H new ATOM 0 HG22 VAL A 3 73.083 1.445 -9.412 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.784 1.570 -7.781 1.00 0.00 H new ATOM 38 N GLU A 4 74.011 4.010 -11.445 1.00 0.00 N ATOM 39 CA GLU A 4 74.310 3.471 -12.768 1.00 0.00 C ATOM 40 C GLU A 4 75.803 3.563 -13.059 1.00 0.00 C ATOM 41 O GLU A 4 76.464 2.550 -13.297 1.00 0.00 O ATOM 42 CB GLU A 4 73.530 4.240 -13.835 1.00 0.00 C ATOM 43 CG GLU A 4 72.032 4.147 -13.540 1.00 0.00 C ATOM 44 CD GLU A 4 71.536 2.729 -13.803 1.00 0.00 C ATOM 45 OE1 GLU A 4 71.650 2.282 -14.932 1.00 0.00 O1- ATOM 46 OE2 GLU A 4 71.049 2.110 -12.871 1.00 0.00 O ATOM 0 H GLU A 4 73.550 4.920 -11.448 1.00 0.00 H new ATOM 0 HA GLU A 4 74.012 2.423 -12.788 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.844 5.284 -13.849 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.743 3.830 -14.822 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.839 4.422 -12.503 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.485 4.854 -14.164 1.00 0.00 H new ATOM 53 N LYS A 5 76.335 4.779 -13.025 1.00 0.00 N ATOM 54 CA LYS A 5 77.755 4.976 -13.276 1.00 0.00 C ATOM 55 C LYS A 5 78.559 4.436 -12.106 1.00 0.00 C ATOM 56 O LYS A 5 79.739 4.115 -12.243 1.00 0.00 O ATOM 57 CB LYS A 5 78.058 6.463 -13.473 1.00 0.00 C ATOM 58 CG LYS A 5 77.466 6.933 -14.805 1.00 0.00 C ATOM 59 CD LYS A 5 77.827 8.406 -15.044 1.00 0.00 C ATOM 60 CE LYS A 5 76.788 9.312 -14.374 1.00 0.00 C ATOM 61 NZ LYS A 5 77.367 10.672 -14.183 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.812 5.632 -12.829 1.00 0.00 H new ATOM 0 HA LYS A 5 78.032 4.440 -14.184 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.637 7.043 -12.651 1.00 0.00 H new ATOM 0 HB3 LYS A 5 79.135 6.630 -13.462 1.00 0.00 H new ATOM 0 HG2 LYS A 5 77.848 6.319 -15.620 1.00 0.00 H new ATOM 0 HG3 LYS A 5 76.383 6.812 -14.795 1.00 0.00 H new ATOM 0 HD2 LYS A 5 78.819 8.616 -14.643 1.00 0.00 H new ATOM 0 HD3 LYS A 5 77.866 8.611 -16.114 1.00 0.00 H new ATOM 0 HE2 LYS A 5 75.890 9.370 -14.989 1.00 0.00 H new ATOM 0 HE3 LYS A 5 76.490 8.893 -13.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 76.663 11.288 -13.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 78.212 10.608 -13.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 77.630 11.070 -15.107 1.00 0.00 H new ATOM 75 N GLY A 6 77.902 4.315 -10.959 1.00 0.00 N ATOM 76 CA GLY A 6 78.560 3.785 -9.777 1.00 0.00 C ATOM 77 C GLY A 6 78.811 2.300 -9.973 1.00 0.00 C ATOM 78 O GLY A 6 79.814 1.755 -9.511 1.00 0.00 O ATOM 0 H GLY A 6 76.925 4.574 -10.825 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.502 4.306 -9.605 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.940 3.949 -8.896 1.00 0.00 H new ATOM 82 N LYS A 7 77.890 1.659 -10.683 1.00 0.00 N ATOM 83 CA LYS A 7 78.010 0.240 -10.967 1.00 0.00 C ATOM 84 C LYS A 7 79.164 0.004 -11.933 1.00 0.00 C ATOM 85 O LYS A 7 79.947 -0.927 -11.760 1.00 0.00 O ATOM 86 CB LYS A 7 76.709 -0.285 -11.579 1.00 0.00 C ATOM 87 CG LYS A 7 76.710 -1.817 -11.551 1.00 0.00 C ATOM 88 CD LYS A 7 75.673 -2.357 -12.546 1.00 0.00 C ATOM 89 CE LYS A 7 76.306 -2.491 -13.935 1.00 0.00 C ATOM 90 NZ LYS A 7 77.128 -3.734 -13.987 1.00 0.00 N1+ ATOM 0 H LYS A 7 77.056 2.100 -11.070 1.00 0.00 H new ATOM 0 HA LYS A 7 78.204 -0.292 -10.036 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.853 0.098 -11.023 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.608 0.070 -12.605 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.701 -2.194 -11.804 1.00 0.00 H new ATOM 0 HG3 LYS A 7 76.482 -2.171 -10.546 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.303 -3.326 -12.210 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.815 -1.686 -12.591 1.00 0.00 H new ATOM 0 HE2 LYS A 7 75.529 -2.523 -14.699 1.00 0.00 H new ATOM 0 HE3 LYS A 7 76.928 -1.622 -14.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 77.973 -3.568 -14.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 77.419 -3.998 -13.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 76.566 -4.504 -14.403 1.00 0.00 H new ATOM 104 N LYS A 8 79.268 0.859 -12.950 1.00 0.00 N ATOM 105 CA LYS A 8 80.341 0.727 -13.931 1.00 0.00 C ATOM 106 C LYS A 8 81.705 0.850 -13.255 1.00 0.00 C ATOM 107 O LYS A 8 82.612 0.051 -13.504 1.00 0.00 O ATOM 108 CB LYS A 8 80.200 1.807 -15.008 1.00 0.00 C ATOM 109 CG LYS A 8 81.385 1.729 -15.986 1.00 0.00 C ATOM 110 CD LYS A 8 82.424 2.808 -15.648 1.00 0.00 C ATOM 111 CE LYS A 8 82.017 4.134 -16.294 1.00 0.00 C ATOM 112 NZ LYS A 8 82.969 5.203 -15.877 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.632 1.639 -13.114 1.00 0.00 H new ATOM 0 HA LYS A 8 80.267 -0.257 -14.393 1.00 0.00 H new ATOM 0 HB2 LYS A 8 79.262 1.674 -15.548 1.00 0.00 H new ATOM 0 HB3 LYS A 8 80.164 2.793 -14.544 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.845 0.742 -15.934 1.00 0.00 H new ATOM 0 HG3 LYS A 8 81.031 1.862 -17.008 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.501 2.927 -14.567 1.00 0.00 H new ATOM 0 HD3 LYS A 8 83.408 2.504 -16.006 1.00 0.00 H new ATOM 0 HE2 LYS A 8 82.016 4.037 -17.380 1.00 0.00 H new ATOM 0 HE3 LYS A 8 81.002 4.399 -15.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 82.693 6.104 -16.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 82.949 5.301 -14.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 83.931 4.950 -16.182 1.00 0.00 H new ATOM 126 N ILE A 9 81.844 1.856 -12.399 1.00 0.00 N ATOM 127 CA ILE A 9 83.098 2.083 -11.695 1.00 0.00 C ATOM 128 C ILE A 9 83.372 0.961 -10.700 1.00 0.00 C ATOM 129 O ILE A 9 84.513 0.737 -10.303 1.00 0.00 O ATOM 130 CB ILE A 9 83.039 3.415 -10.948 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.782 4.553 -11.941 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.368 3.657 -10.231 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.302 5.793 -11.184 1.00 0.00 C ATOM 0 H ILE A 9 81.106 2.524 -12.177 1.00 0.00 H new ATOM 0 HA ILE A 9 83.903 2.106 -12.430 1.00 0.00 H new ATOM 0 HB ILE A 9 82.230 3.383 -10.218 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.694 4.781 -12.493 1.00 0.00 H new ATOM 0 HG13 ILE A 9 82.034 4.249 -12.673 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.326 4.607 -9.698 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.551 2.850 -9.521 1.00 0.00 H new ATOM 0 HG23 ILE A 9 85.176 3.686 -10.962 1.00 0.00 H new ATOM 0 HD11 ILE A 9 82.119 6.603 -11.891 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.379 5.560 -10.652 1.00 0.00 H new ATOM 0 HD13 ILE A 9 83.065 6.101 -10.469 1.00 0.00 H new ATOM 145 N PHE A 10 82.319 0.270 -10.288 1.00 0.00 N ATOM 146 CA PHE A 10 82.463 -0.813 -9.320 1.00 0.00 C ATOM 147 C PHE A 10 82.913 -2.112 -9.992 1.00 0.00 C ATOM 148 O PHE A 10 83.884 -2.731 -9.562 1.00 0.00 O ATOM 149 CB PHE A 10 81.127 -1.044 -8.600 1.00 0.00 C ATOM 150 CG PHE A 10 81.083 -2.452 -8.052 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.608 -3.496 -8.853 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.530 -2.714 -6.753 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.581 -4.804 -8.356 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.501 -4.021 -6.255 1.00 0.00 C ATOM 155 CZ PHE A 10 81.028 -5.067 -7.057 1.00 0.00 C ATOM 0 H PHE A 10 81.363 0.436 -10.604 1.00 0.00 H new ATOM 0 HA PHE A 10 83.229 -0.521 -8.601 1.00 0.00 H new ATOM 0 HB2 PHE A 10 81.010 -0.324 -7.790 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.298 -0.886 -9.290 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.262 -3.292 -9.856 1.00 0.00 H new ATOM 0 HD2 PHE A 10 81.897 -1.908 -6.135 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.215 -5.610 -8.975 1.00 0.00 H new ATOM 0 HE2 PHE A 10 81.844 -4.224 -5.251 1.00 0.00 H new ATOM 0 HZ PHE A 10 81.008 -6.076 -6.673 1.00 0.00 H new ATOM 165 N VAL A 11 82.195 -2.527 -11.032 1.00 0.00 N ATOM 166 CA VAL A 11 82.522 -3.769 -11.732 1.00 0.00 C ATOM 167 C VAL A 11 83.954 -3.758 -12.238 1.00 0.00 C ATOM 168 O VAL A 11 84.588 -4.806 -12.361 1.00 0.00 O ATOM 169 CB VAL A 11 81.583 -3.975 -12.919 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.150 -4.132 -12.418 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.667 -2.767 -13.851 1.00 0.00 C ATOM 0 H VAL A 11 81.389 -2.027 -11.408 1.00 0.00 H new ATOM 0 HA VAL A 11 82.404 -4.584 -11.018 1.00 0.00 H new ATOM 0 HB VAL A 11 81.877 -4.874 -13.461 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.482 -4.279 -13.267 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.089 -4.995 -11.755 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.854 -3.235 -11.874 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.997 -2.914 -14.698 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.375 -1.868 -13.309 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.690 -2.656 -14.212 1.00 0.00 H new ATOM 181 N GLN A 12 84.453 -2.576 -12.564 1.00 0.00 N ATOM 182 CA GLN A 12 85.808 -2.463 -13.090 1.00 0.00 C ATOM 183 C GLN A 12 86.830 -2.129 -12.005 1.00 0.00 C ATOM 184 O GLN A 12 88.014 -2.428 -12.159 1.00 0.00 O ATOM 185 CB GLN A 12 85.848 -1.386 -14.172 1.00 0.00 C ATOM 186 CG GLN A 12 85.679 -0.003 -13.538 1.00 0.00 C ATOM 187 CD GLN A 12 85.465 1.032 -14.635 1.00 0.00 C ATOM 188 OE1 GLN A 12 85.185 2.196 -14.348 1.00 0.00 O ATOM 189 NE2 GLN A 12 85.586 0.673 -15.882 1.00 0.00 N ATOM 0 H GLN A 12 83.951 -1.693 -12.476 1.00 0.00 H new ATOM 0 HA GLN A 12 86.077 -3.434 -13.506 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.794 -1.435 -14.711 1.00 0.00 H new ATOM 0 HB3 GLN A 12 85.056 -1.561 -14.901 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.830 -0.005 -12.854 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.561 0.250 -12.950 1.00 0.00 H new ATOM 0 HE21 GLN A 12 85.818 -0.293 -16.114 1.00 0.00 H new ATOM 0 HE22 GLN A 12 85.449 1.358 -16.625 1.00 0.00 H new ATOM 198 N LYS A 13 86.391 -1.476 -10.930 1.00 0.00 N ATOM 199 CA LYS A 13 87.324 -1.080 -9.870 1.00 0.00 C ATOM 200 C LYS A 13 87.291 -1.992 -8.636 1.00 0.00 C ATOM 201 O LYS A 13 88.300 -2.608 -8.296 1.00 0.00 O ATOM 202 CB LYS A 13 87.042 0.366 -9.446 1.00 0.00 C ATOM 203 CG LYS A 13 88.307 0.986 -8.833 1.00 0.00 C ATOM 204 CD LYS A 13 89.192 1.575 -9.942 1.00 0.00 C ATOM 205 CE LYS A 13 88.769 3.018 -10.230 1.00 0.00 C ATOM 206 NZ LYS A 13 89.604 3.569 -11.336 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.419 -1.214 -10.769 1.00 0.00 H new ATOM 0 HA LYS A 13 88.323 -1.174 -10.295 1.00 0.00 H new ATOM 0 HB2 LYS A 13 86.720 0.951 -10.308 1.00 0.00 H new ATOM 0 HB3 LYS A 13 86.227 0.390 -8.722 1.00 0.00 H new ATOM 0 HG2 LYS A 13 88.033 1.766 -8.122 1.00 0.00 H new ATOM 0 HG3 LYS A 13 88.861 0.229 -8.278 1.00 0.00 H new ATOM 0 HD2 LYS A 13 90.239 1.547 -9.639 1.00 0.00 H new ATOM 0 HD3 LYS A 13 89.106 0.973 -10.847 1.00 0.00 H new ATOM 0 HE2 LYS A 13 87.715 3.051 -10.505 1.00 0.00 H new ATOM 0 HE3 LYS A 13 88.885 3.628 -9.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 89.317 4.549 -11.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 90.606 3.551 -11.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 89.472 2.992 -12.191 1.00 0.00 H new ATOM 220 N CYS A 14 86.160 -2.028 -7.930 1.00 0.00 N ATOM 221 CA CYS A 14 86.066 -2.817 -6.693 1.00 0.00 C ATOM 222 C CYS A 14 85.813 -4.307 -6.926 1.00 0.00 C ATOM 223 O CYS A 14 86.344 -5.142 -6.194 1.00 0.00 O ATOM 224 CB CYS A 14 84.965 -2.243 -5.795 1.00 0.00 C ATOM 225 SG CYS A 14 84.907 -0.435 -5.960 1.00 0.00 S ATOM 0 H CYS A 14 85.307 -1.530 -8.185 1.00 0.00 H new ATOM 0 HA CYS A 14 87.040 -2.742 -6.209 1.00 0.00 H new ATOM 0 HB2 CYS A 14 84.001 -2.672 -6.068 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.153 -2.516 -4.756 1.00 0.00 H new ATOM 230 N ALA A 15 85.007 -4.650 -7.916 1.00 0.00 N ATOM 231 CA ALA A 15 84.712 -6.057 -8.170 1.00 0.00 C ATOM 232 C ALA A 15 85.996 -6.883 -8.181 1.00 0.00 C ATOM 233 O ALA A 15 85.980 -8.078 -7.884 1.00 0.00 O ATOM 234 CB ALA A 15 83.989 -6.209 -9.509 1.00 0.00 C ATOM 0 H ALA A 15 84.551 -3.992 -8.548 1.00 0.00 H new ATOM 0 HA ALA A 15 84.068 -6.422 -7.370 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.774 -7.262 -9.689 1.00 0.00 H new ATOM 0 HB2 ALA A 15 83.055 -5.647 -9.484 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.622 -5.826 -10.310 1.00 0.00 H new ATOM 240 N GLN A 16 87.106 -6.240 -8.523 1.00 0.00 N ATOM 241 CA GLN A 16 88.393 -6.926 -8.571 1.00 0.00 C ATOM 242 C GLN A 16 88.620 -7.769 -7.315 1.00 0.00 C ATOM 243 O GLN A 16 88.776 -8.987 -7.401 1.00 0.00 O ATOM 244 CB GLN A 16 89.522 -5.905 -8.715 1.00 0.00 C ATOM 245 CG GLN A 16 89.549 -5.370 -10.148 1.00 0.00 C ATOM 246 CD GLN A 16 90.717 -4.406 -10.324 1.00 0.00 C ATOM 247 OE1 GLN A 16 91.407 -4.082 -9.357 1.00 0.00 O ATOM 248 NE2 GLN A 16 90.983 -3.927 -11.508 1.00 0.00 N ATOM 0 H GLN A 16 87.142 -5.251 -8.770 1.00 0.00 H new ATOM 0 HA GLN A 16 88.388 -7.592 -9.434 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.376 -5.085 -8.012 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.478 -6.368 -8.471 1.00 0.00 H new ATOM 0 HG2 GLN A 16 89.641 -6.197 -10.852 1.00 0.00 H new ATOM 0 HG3 GLN A 16 88.611 -4.862 -10.373 1.00 0.00 H new ATOM 0 HE21 GLN A 16 90.410 -4.197 -12.308 1.00 0.00 H new ATOM 0 HE22 GLN A 16 91.764 -3.283 -11.634 1.00 0.00 H new ATOM 257 N CYS A 17 88.652 -7.117 -6.150 1.00 0.00 N ATOM 258 CA CYS A 17 88.877 -7.832 -4.890 1.00 0.00 C ATOM 259 C CYS A 17 87.752 -7.560 -3.885 1.00 0.00 C ATOM 260 O CYS A 17 88.011 -7.203 -2.736 1.00 0.00 O ATOM 261 CB CYS A 17 90.231 -7.416 -4.282 1.00 0.00 C ATOM 262 SG CYS A 17 91.287 -6.684 -5.564 1.00 0.00 S ATOM 0 H CYS A 17 88.527 -6.109 -6.052 1.00 0.00 H new ATOM 0 HA CYS A 17 88.887 -8.900 -5.108 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.073 -6.699 -3.476 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.725 -8.284 -3.844 1.00 0.00 H new ATOM 267 N HIS A 18 86.504 -7.744 -4.313 1.00 0.00 N ATOM 268 CA HIS A 18 85.366 -7.524 -3.420 1.00 0.00 C ATOM 269 C HIS A 18 84.144 -8.314 -3.884 1.00 0.00 C ATOM 270 O HIS A 18 84.210 -9.074 -4.850 1.00 0.00 O ATOM 271 CB HIS A 18 85.013 -6.034 -3.360 1.00 0.00 C ATOM 272 CG HIS A 18 85.914 -5.335 -2.378 1.00 0.00 C ATOM 273 ND1 HIS A 18 85.597 -5.217 -1.037 1.00 0.00 N ATOM 274 CD2 HIS A 18 87.117 -4.701 -2.535 1.00 0.00 C ATOM 275 CE1 HIS A 18 86.592 -4.531 -0.444 1.00 0.00 C ATOM 276 NE2 HIS A 18 87.548 -4.188 -1.313 1.00 0.00 N ATOM 0 H HIS A 18 86.256 -8.040 -5.257 1.00 0.00 H new ATOM 0 HA HIS A 18 85.653 -7.870 -2.427 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.120 -5.586 -4.348 1.00 0.00 H new ATOM 0 HB3 HIS A 18 83.971 -5.909 -3.064 1.00 0.00 H new ATOM 0 HD1 HIS A 18 84.762 -5.583 -0.580 1.00 0.00 H new ATOM 0 HD2 HIS A 18 87.653 -4.612 -3.468 1.00 0.00 H new ATOM 0 HE1 HIS A 18 86.615 -4.287 0.608 1.00 0.00 H new ATOM 284 N THR A 19 83.031 -8.126 -3.177 1.00 0.00 N ATOM 285 CA THR A 19 81.791 -8.821 -3.503 1.00 0.00 C ATOM 286 C THR A 19 80.588 -7.908 -3.262 1.00 0.00 C ATOM 287 O THR A 19 79.625 -7.914 -4.027 1.00 0.00 O ATOM 288 CB THR A 19 81.675 -10.079 -2.639 1.00 0.00 C ATOM 289 OG1 THR A 19 82.977 -10.534 -2.297 1.00 0.00 O ATOM 290 CG2 THR A 19 80.943 -11.174 -3.411 1.00 0.00 C ATOM 0 H THR A 19 82.964 -7.498 -2.376 1.00 0.00 H new ATOM 0 HA THR A 19 81.805 -9.101 -4.556 1.00 0.00 H new ATOM 0 HB THR A 19 81.116 -9.844 -1.734 1.00 0.00 H new ATOM 0 HG1 THR A 19 83.008 -11.512 -2.358 1.00 0.00 H new ATOM 0 HG21 THR A 19 80.864 -12.066 -2.790 1.00 0.00 H new ATOM 0 HG22 THR A 19 79.944 -10.827 -3.676 1.00 0.00 H new ATOM 0 HG23 THR A 19 81.497 -11.412 -4.319 1.00 0.00 H new ATOM 298 N VAL A 20 80.663 -7.121 -2.191 1.00 0.00 N ATOM 299 CA VAL A 20 79.595 -6.187 -1.835 1.00 0.00 C ATOM 300 C VAL A 20 78.211 -6.811 -1.998 1.00 0.00 C ATOM 301 O VAL A 20 77.252 -6.123 -2.347 1.00 0.00 O ATOM 302 CB VAL A 20 79.698 -4.915 -2.684 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.105 -4.324 -2.554 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.426 -5.240 -4.152 1.00 0.00 C ATOM 0 H VAL A 20 81.457 -7.111 -1.551 1.00 0.00 H new ATOM 0 HA VAL A 20 79.722 -5.934 -0.782 1.00 0.00 H new ATOM 0 HB VAL A 20 78.960 -4.195 -2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.177 -3.420 -3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.302 -4.080 -1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 20 81.839 -5.052 -2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.502 -4.329 -4.746 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.158 -5.966 -4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.424 -5.657 -4.253 1.00 0.00 H new ATOM 314 N GLU A 21 78.102 -8.111 -1.734 1.00 0.00 N ATOM 315 CA GLU A 21 76.815 -8.798 -1.846 1.00 0.00 C ATOM 316 C GLU A 21 76.586 -9.700 -0.636 1.00 0.00 C ATOM 317 O GLU A 21 77.402 -10.572 -0.335 1.00 0.00 O ATOM 318 CB GLU A 21 76.766 -9.623 -3.139 1.00 0.00 C ATOM 319 CG GLU A 21 77.524 -10.937 -2.951 1.00 0.00 C ATOM 320 CD GLU A 21 77.788 -11.583 -4.307 1.00 0.00 C ATOM 321 OE1 GLU A 21 77.390 -11.004 -5.305 1.00 0.00 O1- ATOM 322 OE2 GLU A 21 78.385 -12.646 -4.328 1.00 0.00 O ATOM 0 H GLU A 21 78.879 -8.705 -1.444 1.00 0.00 H new ATOM 0 HA GLU A 21 76.023 -8.050 -1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 21 75.730 -9.827 -3.411 1.00 0.00 H new ATOM 0 HB3 GLU A 21 77.205 -9.055 -3.959 1.00 0.00 H new ATOM 0 HG2 GLU A 21 78.467 -10.752 -2.437 1.00 0.00 H new ATOM 0 HG3 GLU A 21 76.945 -11.614 -2.322 1.00 0.00 H new ATOM 329 N LYS A 22 75.477 -9.476 0.060 1.00 0.00 N ATOM 330 CA LYS A 22 75.151 -10.265 1.243 1.00 0.00 C ATOM 331 C LYS A 22 75.150 -11.757 0.918 1.00 0.00 C ATOM 332 O LYS A 22 74.636 -12.177 -0.119 1.00 0.00 O ATOM 333 CB LYS A 22 73.776 -9.853 1.779 1.00 0.00 C ATOM 334 CG LYS A 22 73.547 -10.446 3.182 1.00 0.00 C ATOM 335 CD LYS A 22 72.745 -11.748 3.080 1.00 0.00 C ATOM 336 CE LYS A 22 72.406 -12.247 4.485 1.00 0.00 C ATOM 337 NZ LYS A 22 71.875 -13.638 4.407 1.00 0.00 N1+ ATOM 0 H LYS A 22 74.791 -8.758 -0.173 1.00 0.00 H new ATOM 0 HA LYS A 22 75.911 -10.077 2.002 1.00 0.00 H new ATOM 0 HB2 LYS A 22 73.706 -8.766 1.821 1.00 0.00 H new ATOM 0 HB3 LYS A 22 72.996 -10.197 1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 22 74.505 -10.637 3.665 1.00 0.00 H new ATOM 0 HG3 LYS A 22 73.013 -9.729 3.805 1.00 0.00 H new ATOM 0 HD2 LYS A 22 71.830 -11.581 2.511 1.00 0.00 H new ATOM 0 HD3 LYS A 22 73.321 -12.502 2.544 1.00 0.00 H new ATOM 0 HE2 LYS A 22 73.295 -12.221 5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 22 71.668 -11.591 4.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 71.645 -13.976 5.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 71.017 -13.650 3.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 72.593 -14.260 3.983 1.00 0.00 H new ATOM 351 N GLY A 23 75.719 -12.551 1.820 1.00 0.00 N ATOM 352 CA GLY A 23 75.772 -13.997 1.632 1.00 0.00 C ATOM 353 C GLY A 23 76.571 -14.370 0.386 1.00 0.00 C ATOM 354 O GLY A 23 76.295 -15.383 -0.256 1.00 0.00 O ATOM 0 H GLY A 23 76.148 -12.220 2.684 1.00 0.00 H new ATOM 0 HA2 GLY A 23 76.224 -14.463 2.508 1.00 0.00 H new ATOM 0 HA3 GLY A 23 74.759 -14.391 1.548 1.00 0.00 H new ATOM 358 N GLY A 24 77.562 -13.551 0.049 1.00 0.00 N ATOM 359 CA GLY A 24 78.391 -13.814 -1.122 1.00 0.00 C ATOM 360 C GLY A 24 79.654 -14.574 -0.738 1.00 0.00 C ATOM 361 O GLY A 24 79.647 -15.391 0.182 1.00 0.00 O ATOM 0 H GLY A 24 77.809 -12.707 0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.823 -14.391 -1.852 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.660 -12.872 -1.600 1.00 0.00 H new ATOM 365 N LYS A 25 80.737 -14.294 -1.455 1.00 0.00 N ATOM 366 CA LYS A 25 82.017 -14.947 -1.197 1.00 0.00 C ATOM 367 C LYS A 25 83.157 -13.940 -1.306 1.00 0.00 C ATOM 368 O LYS A 25 83.527 -13.526 -2.405 1.00 0.00 O ATOM 369 CB LYS A 25 82.243 -16.078 -2.205 1.00 0.00 C ATOM 370 CG LYS A 25 80.995 -16.974 -2.281 1.00 0.00 C ATOM 371 CD LYS A 25 80.044 -16.458 -3.373 1.00 0.00 C ATOM 372 CE LYS A 25 80.452 -17.039 -4.729 1.00 0.00 C ATOM 373 NZ LYS A 25 80.066 -18.478 -4.790 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.755 -13.619 -2.220 1.00 0.00 H new ATOM 0 HA LYS A 25 81.997 -15.358 -0.188 1.00 0.00 H new ATOM 0 HB2 LYS A 25 82.462 -15.661 -3.188 1.00 0.00 H new ATOM 0 HB3 LYS A 25 83.109 -16.671 -1.910 1.00 0.00 H new ATOM 0 HG2 LYS A 25 81.287 -18.002 -2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 25 80.485 -16.984 -1.318 1.00 0.00 H new ATOM 0 HD2 LYS A 25 79.018 -16.742 -3.139 1.00 0.00 H new ATOM 0 HD3 LYS A 25 80.073 -15.369 -3.409 1.00 0.00 H new ATOM 0 HE2 LYS A 25 79.967 -16.487 -5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 25 81.527 -16.934 -4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 79.973 -18.771 -5.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 80.798 -19.054 -4.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 79.158 -18.615 -4.302 1.00 0.00 H new ATOM 387 N HIS A 26 83.709 -13.548 -0.162 1.00 0.00 N ATOM 388 CA HIS A 26 84.809 -12.586 -0.149 1.00 0.00 C ATOM 389 C HIS A 26 85.942 -13.066 -1.054 1.00 0.00 C ATOM 390 O HIS A 26 86.533 -14.119 -0.817 1.00 0.00 O ATOM 391 CB HIS A 26 85.337 -12.382 1.283 1.00 0.00 C ATOM 392 CG HIS A 26 84.480 -13.134 2.265 1.00 0.00 C ATOM 393 ND1 HIS A 26 84.418 -14.519 2.284 1.00 0.00 N ATOM 394 CD2 HIS A 26 83.645 -12.708 3.268 1.00 0.00 C ATOM 395 CE1 HIS A 26 83.572 -14.873 3.269 1.00 0.00 C ATOM 396 NE2 HIS A 26 83.073 -13.807 3.900 1.00 0.00 N ATOM 0 H HIS A 26 83.418 -13.876 0.759 1.00 0.00 H new ATOM 0 HA HIS A 26 84.433 -11.633 -0.522 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.369 -12.727 1.351 1.00 0.00 H new ATOM 0 HB3 HIS A 26 85.339 -11.320 1.530 1.00 0.00 H new ATOM 0 HD2 HIS A 26 83.460 -11.676 3.527 1.00 0.00 H new ATOM 0 HE1 HIS A 26 83.327 -15.895 3.519 1.00 0.00 H new ATOM 0 HE2 HIS A 26 82.414 -13.800 4.678 1.00 0.00 H new ATOM 405 N LYS A 27 86.235 -12.287 -2.092 1.00 0.00 N ATOM 406 CA LYS A 27 87.296 -12.641 -3.032 1.00 0.00 C ATOM 407 C LYS A 27 88.526 -11.763 -2.816 1.00 0.00 C ATOM 408 O LYS A 27 88.452 -10.538 -2.917 1.00 0.00 O ATOM 409 CB LYS A 27 86.796 -12.475 -4.468 1.00 0.00 C ATOM 410 CG LYS A 27 85.381 -13.046 -4.584 1.00 0.00 C ATOM 411 CD LYS A 27 85.008 -13.190 -6.062 1.00 0.00 C ATOM 412 CE LYS A 27 83.652 -13.888 -6.181 1.00 0.00 C ATOM 413 NZ LYS A 27 83.256 -13.962 -7.616 1.00 0.00 N1+ ATOM 0 H LYS A 27 85.756 -11.411 -2.303 1.00 0.00 H new ATOM 0 HA LYS A 27 87.574 -13.681 -2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 27 86.798 -11.421 -4.746 1.00 0.00 H new ATOM 0 HB3 LYS A 27 87.465 -12.988 -5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 27 85.327 -14.015 -4.088 1.00 0.00 H new ATOM 0 HG3 LYS A 27 84.670 -12.390 -4.081 1.00 0.00 H new ATOM 0 HD2 LYS A 27 84.966 -12.209 -6.535 1.00 0.00 H new ATOM 0 HD3 LYS A 27 85.772 -13.764 -6.586 1.00 0.00 H new ATOM 0 HE2 LYS A 27 83.708 -14.890 -5.756 1.00 0.00 H new ATOM 0 HE3 LYS A 27 82.899 -13.342 -5.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 82.334 -14.436 -7.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 83.187 -13.001 -8.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 83.971 -14.500 -8.146 1.00 0.00 H new ATOM 427 N THR A 28 89.656 -12.399 -2.523 1.00 0.00 N ATOM 428 CA THR A 28 90.902 -11.671 -2.299 1.00 0.00 C ATOM 429 C THR A 28 90.650 -10.393 -1.504 1.00 0.00 C ATOM 430 O THR A 28 91.394 -9.420 -1.621 1.00 0.00 O ATOM 431 CB THR A 28 91.545 -11.319 -3.644 1.00 0.00 C ATOM 432 OG1 THR A 28 91.750 -12.510 -4.392 1.00 0.00 O ATOM 433 CG2 THR A 28 92.892 -10.621 -3.416 1.00 0.00 C ATOM 0 H THR A 28 89.736 -13.412 -2.435 1.00 0.00 H new ATOM 0 HA THR A 28 91.574 -12.310 -1.726 1.00 0.00 H new ATOM 0 HB THR A 28 90.885 -10.647 -4.192 1.00 0.00 H new ATOM 0 HG1 THR A 28 92.160 -12.288 -5.254 1.00 0.00 H new ATOM 0 HG21 THR A 28 93.342 -10.375 -4.378 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.736 -9.707 -2.844 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.557 -11.285 -2.864 1.00 0.00 H new ATOM 441 N GLY A 29 89.599 -10.403 -0.691 1.00 0.00 N ATOM 442 CA GLY A 29 89.265 -9.238 0.120 1.00 0.00 C ATOM 443 C GLY A 29 87.953 -9.451 0.868 1.00 0.00 C ATOM 444 O GLY A 29 87.143 -10.296 0.488 1.00 0.00 O ATOM 0 H GLY A 29 88.969 -11.197 -0.576 1.00 0.00 H new ATOM 0 HA2 GLY A 29 90.067 -9.045 0.833 1.00 0.00 H new ATOM 0 HA3 GLY A 29 89.186 -8.357 -0.517 1.00 0.00 H new ATOM 448 N PRO A 30 87.731 -8.702 1.917 1.00 0.00 N ATOM 449 CA PRO A 30 86.486 -8.809 2.735 1.00 0.00 C ATOM 450 C PRO A 30 85.276 -8.210 2.023 1.00 0.00 C ATOM 451 O PRO A 30 85.419 -7.471 1.048 1.00 0.00 O ATOM 452 CB PRO A 30 86.822 -8.016 4.001 1.00 0.00 C ATOM 453 CG PRO A 30 87.845 -7.016 3.572 1.00 0.00 C ATOM 454 CD PRO A 30 88.641 -7.669 2.441 1.00 0.00 C ATOM 0 HA PRO A 30 86.211 -9.845 2.933 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.937 -7.526 4.406 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.211 -8.668 4.783 1.00 0.00 H new ATOM 0 HG2 PRO A 30 87.370 -6.096 3.231 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.498 -6.748 4.402 1.00 0.00 H new ATOM 0 HD2 PRO A 30 88.909 -6.945 1.671 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.571 -8.104 2.807 1.00 0.00 H new ATOM 462 N ASN A 31 84.085 -8.523 2.524 1.00 0.00 N ATOM 463 CA ASN A 31 82.857 -8.003 1.938 1.00 0.00 C ATOM 464 C ASN A 31 82.526 -6.648 2.554 1.00 0.00 C ATOM 465 O ASN A 31 83.180 -6.217 3.503 1.00 0.00 O ATOM 466 CB ASN A 31 81.704 -8.981 2.189 1.00 0.00 C ATOM 467 CG ASN A 31 80.651 -8.843 1.096 1.00 0.00 C ATOM 468 OD1 ASN A 31 80.177 -7.741 0.823 1.00 0.00 O ATOM 469 ND2 ASN A 31 80.253 -9.905 0.451 1.00 0.00 N ATOM 0 H ASN A 31 83.946 -9.131 3.331 1.00 0.00 H new ATOM 0 HA ASN A 31 82.997 -7.885 0.863 1.00 0.00 H new ATOM 0 HB2 ASN A 31 82.083 -10.003 2.213 1.00 0.00 H new ATOM 0 HB3 ASN A 31 81.256 -8.784 3.163 1.00 0.00 H new ATOM 0 HD21 ASN A 31 79.548 -9.823 -0.281 1.00 0.00 H new ATOM 0 HD22 ASN A 31 80.647 -10.818 0.679 1.00 0.00 H new ATOM 476 N LEU A 32 81.513 -5.976 2.013 1.00 0.00 N ATOM 477 CA LEU A 32 81.117 -4.666 2.531 1.00 0.00 C ATOM 478 C LEU A 32 79.636 -4.654 2.912 1.00 0.00 C ATOM 479 O LEU A 32 78.931 -3.679 2.654 1.00 0.00 O ATOM 480 CB LEU A 32 81.382 -3.567 1.489 1.00 0.00 C ATOM 481 CG LEU A 32 82.723 -3.799 0.774 1.00 0.00 C ATOM 482 CD1 LEU A 32 82.977 -2.648 -0.213 1.00 0.00 C ATOM 483 CD2 LEU A 32 83.871 -3.853 1.796 1.00 0.00 C ATOM 0 H LEU A 32 80.957 -6.310 1.226 1.00 0.00 H new ATOM 0 HA LEU A 32 81.715 -4.470 3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.574 -3.551 0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.390 -2.592 1.977 1.00 0.00 H new ATOM 0 HG LEU A 32 82.680 -4.748 0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 32 83.927 -2.809 -0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.173 -2.615 -0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 32 83.012 -1.704 0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 32 84.814 -4.018 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 32 83.917 -2.910 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.696 -4.669 2.497 1.00 0.00 H new ATOM 495 N HIS A 33 79.168 -5.735 3.537 1.00 0.00 N ATOM 496 CA HIS A 33 77.770 -5.814 3.955 1.00 0.00 C ATOM 497 C HIS A 33 77.474 -4.744 5.000 1.00 0.00 C ATOM 498 O HIS A 33 78.309 -4.464 5.858 1.00 0.00 O ATOM 499 CB HIS A 33 77.472 -7.191 4.552 1.00 0.00 C ATOM 500 CG HIS A 33 77.801 -8.264 3.553 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.178 -9.541 3.940 1.00 0.00 N ATOM 502 CD2 HIS A 33 77.810 -8.269 2.180 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.395 -10.255 2.821 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.186 -9.528 1.722 1.00 0.00 N ATOM 0 H HIS A 33 79.728 -6.557 3.762 1.00 0.00 H new ATOM 0 HA HIS A 33 77.140 -5.654 3.080 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.056 -7.337 5.461 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.421 -7.255 4.834 1.00 0.00 H new ATOM 0 HD1 HIS A 33 78.273 -9.877 4.898 1.00 0.00 H new ATOM 0 HD2 HIS A 33 77.563 -7.426 1.552 1.00 0.00 H new ATOM 0 HE1 HIS A 33 78.701 -11.291 2.813 1.00 0.00 H new ATOM 513 N GLY A 34 76.283 -4.147 4.926 1.00 0.00 N ATOM 514 CA GLY A 34 75.899 -3.106 5.879 1.00 0.00 C ATOM 515 C GLY A 34 77.112 -2.276 6.286 1.00 0.00 C ATOM 516 O GLY A 34 77.195 -1.774 7.407 1.00 0.00 O ATOM 0 H GLY A 34 75.575 -4.364 4.224 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.142 -2.460 5.434 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.450 -3.561 6.762 1.00 0.00 H new ATOM 520 N LEU A 35 78.053 -2.153 5.359 1.00 0.00 N ATOM 521 CA LEU A 35 79.278 -1.403 5.599 1.00 0.00 C ATOM 522 C LEU A 35 78.985 -0.093 6.328 1.00 0.00 C ATOM 523 O LEU A 35 79.520 0.170 7.402 1.00 0.00 O ATOM 524 CB LEU A 35 79.944 -1.112 4.248 1.00 0.00 C ATOM 525 CG LEU A 35 81.223 -0.278 4.433 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.412 -1.203 4.708 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.500 0.523 3.157 1.00 0.00 C ATOM 0 H LEU A 35 77.990 -2.566 4.428 1.00 0.00 H new ATOM 0 HA LEU A 35 79.943 -1.994 6.230 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.186 -2.050 3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.247 -0.578 3.602 1.00 0.00 H new ATOM 0 HG LEU A 35 81.086 0.400 5.275 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.315 -0.606 4.838 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.223 -1.778 5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.545 -1.884 3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.406 1.114 3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 35 81.631 -0.162 2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.660 1.187 2.955 1.00 0.00 H new ATOM 539 N PHE A 36 78.140 0.726 5.728 1.00 0.00 N ATOM 540 CA PHE A 36 77.792 2.013 6.315 1.00 0.00 C ATOM 541 C PHE A 36 77.227 1.848 7.724 1.00 0.00 C ATOM 542 O PHE A 36 76.017 1.710 7.903 1.00 0.00 O ATOM 543 CB PHE A 36 76.769 2.729 5.427 1.00 0.00 C ATOM 544 CG PHE A 36 77.219 2.659 3.984 1.00 0.00 C ATOM 545 CD1 PHE A 36 76.965 1.509 3.224 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.900 3.739 3.408 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.392 1.440 1.893 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.328 3.669 2.079 1.00 0.00 C ATOM 549 CZ PHE A 36 78.075 2.520 1.321 1.00 0.00 C ATOM 0 H PHE A 36 77.682 0.527 4.838 1.00 0.00 H new ATOM 0 HA PHE A 36 78.701 2.610 6.383 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.789 2.265 5.536 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.666 3.769 5.737 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.439 0.675 3.666 1.00 0.00 H new ATOM 0 HD2 PHE A 36 78.095 4.627 3.991 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.195 0.554 1.307 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.854 4.502 1.637 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.407 2.466 0.295 1.00 0.00 H new ATOM 559 N GLY A 37 78.108 1.880 8.727 1.00 0.00 N ATOM 560 CA GLY A 37 77.671 1.752 10.117 1.00 0.00 C ATOM 561 C GLY A 37 78.645 0.931 10.966 1.00 0.00 C ATOM 562 O GLY A 37 78.717 1.116 12.181 1.00 0.00 O ATOM 0 H GLY A 37 79.114 1.992 8.605 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.563 2.745 10.553 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.687 1.283 10.143 1.00 0.00 H new ATOM 566 N ARG A 38 79.377 0.015 10.338 1.00 0.00 N ATOM 567 CA ARG A 38 80.320 -0.829 11.079 1.00 0.00 C ATOM 568 C ARG A 38 81.695 -0.167 11.196 1.00 0.00 C ATOM 569 O ARG A 38 82.135 0.543 10.292 1.00 0.00 O ATOM 570 CB ARG A 38 80.468 -2.190 10.384 1.00 0.00 C ATOM 571 CG ARG A 38 79.593 -3.245 11.078 1.00 0.00 C ATOM 572 CD ARG A 38 79.987 -4.646 10.588 1.00 0.00 C ATOM 573 NE ARG A 38 79.239 -4.989 9.381 1.00 0.00 N ATOM 574 CZ ARG A 38 79.741 -5.812 8.461 1.00 0.00 C ATOM 575 NH1 ARG A 38 80.927 -6.335 8.618 1.00 0.00 N ATOM 576 NH2 ARG A 38 79.042 -6.100 7.399 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.340 -0.163 9.334 1.00 0.00 H new ATOM 0 HA ARG A 38 79.919 -0.968 12.083 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.181 -2.103 9.336 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.512 -2.504 10.404 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.715 -3.179 12.159 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.541 -3.057 10.864 1.00 0.00 H new ATOM 0 HD2 ARG A 38 81.057 -4.680 10.383 1.00 0.00 H new ATOM 0 HD3 ARG A 38 79.789 -5.381 11.368 1.00 0.00 H new ATOM 0 HE ARG A 38 78.311 -4.589 9.239 1.00 0.00 H new ATOM 0 HH11 ARG A 38 81.476 -6.114 9.449 1.00 0.00 H new ATOM 0 HH12 ARG A 38 81.305 -6.964 7.910 1.00 0.00 H new ATOM 0 HH21 ARG A 38 78.114 -5.696 7.274 1.00 0.00 H new ATOM 0 HH22 ARG A 38 79.423 -6.730 6.693 1.00 0.00 H new ATOM 590 N LYS A 39 82.368 -0.422 12.319 1.00 0.00 N ATOM 591 CA LYS A 39 83.696 0.139 12.563 1.00 0.00 C ATOM 592 C LYS A 39 84.725 -0.462 11.606 1.00 0.00 C ATOM 593 O LYS A 39 84.432 -1.414 10.884 1.00 0.00 O ATOM 594 CB LYS A 39 84.115 -0.137 14.014 1.00 0.00 C ATOM 595 CG LYS A 39 83.718 1.043 14.912 1.00 0.00 C ATOM 596 CD LYS A 39 84.813 2.113 14.880 1.00 0.00 C ATOM 597 CE LYS A 39 84.448 3.246 15.840 1.00 0.00 C ATOM 598 NZ LYS A 39 85.464 4.332 15.737 1.00 0.00 N1+ ATOM 0 H LYS A 39 82.015 -1.012 13.072 1.00 0.00 H new ATOM 0 HA LYS A 39 83.653 1.215 12.392 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.640 -1.051 14.370 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.192 -0.297 14.065 1.00 0.00 H new ATOM 0 HG2 LYS A 39 82.773 1.467 14.573 1.00 0.00 H new ATOM 0 HG3 LYS A 39 83.564 0.698 15.934 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.771 1.677 15.163 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.927 2.502 13.868 1.00 0.00 H new ATOM 0 HE2 LYS A 39 83.459 3.635 15.600 1.00 0.00 H new ATOM 0 HE3 LYS A 39 84.404 2.871 16.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 85.558 4.808 16.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 86.381 3.925 15.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 85.163 5.022 15.019 1.00 0.00 H new ATOM 612 N THR A 40 85.930 0.108 11.602 1.00 0.00 N ATOM 613 CA THR A 40 86.997 -0.369 10.726 1.00 0.00 C ATOM 614 C THR A 40 87.491 -1.749 11.150 1.00 0.00 C ATOM 615 O THR A 40 87.540 -2.069 12.338 1.00 0.00 O ATOM 616 CB THR A 40 88.166 0.621 10.738 1.00 0.00 C ATOM 617 OG1 THR A 40 88.460 0.995 12.078 1.00 0.00 O ATOM 618 CG2 THR A 40 87.791 1.866 9.932 1.00 0.00 C ATOM 0 H THR A 40 86.190 0.897 12.193 1.00 0.00 H new ATOM 0 HA THR A 40 86.591 -0.447 9.717 1.00 0.00 H new ATOM 0 HB THR A 40 89.042 0.150 10.292 1.00 0.00 H new ATOM 0 HG1 THR A 40 89.089 0.352 12.467 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.623 2.570 9.941 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.569 1.580 8.904 1.00 0.00 H new ATOM 0 HG23 THR A 40 86.914 2.336 10.376 1.00 0.00 H new ATOM 626 N GLY A 41 87.865 -2.558 10.161 1.00 0.00 N ATOM 627 CA GLY A 41 88.367 -3.902 10.425 1.00 0.00 C ATOM 628 C GLY A 41 87.503 -4.624 11.451 1.00 0.00 C ATOM 629 O GLY A 41 88.012 -5.165 12.433 1.00 0.00 O ATOM 0 H GLY A 41 87.830 -2.306 9.173 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.388 -4.474 9.497 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.394 -3.845 10.787 1.00 0.00 H new ATOM 633 N GLN A 42 86.194 -4.627 11.221 1.00 0.00 N ATOM 634 CA GLN A 42 85.265 -5.284 12.137 1.00 0.00 C ATOM 635 C GLN A 42 84.661 -6.529 11.493 1.00 0.00 C ATOM 636 O GLN A 42 84.140 -7.404 12.184 1.00 0.00 O ATOM 637 CB GLN A 42 84.145 -4.314 12.528 1.00 0.00 C ATOM 638 CG GLN A 42 83.512 -4.759 13.850 1.00 0.00 C ATOM 639 CD GLN A 42 82.118 -4.158 13.995 1.00 0.00 C ATOM 640 OE1 GLN A 42 81.961 -3.079 14.569 1.00 0.00 O ATOM 641 NE2 GLN A 42 81.090 -4.795 13.506 1.00 0.00 N ATOM 0 H GLN A 42 85.753 -4.185 10.414 1.00 0.00 H new ATOM 0 HA GLN A 42 85.816 -5.584 13.028 1.00 0.00 H new ATOM 0 HB2 GLN A 42 84.544 -3.304 12.627 1.00 0.00 H new ATOM 0 HB3 GLN A 42 83.388 -4.283 11.744 1.00 0.00 H new ATOM 0 HG2 GLN A 42 83.452 -5.847 13.885 1.00 0.00 H new ATOM 0 HG3 GLN A 42 84.139 -4.447 14.685 1.00 0.00 H new ATOM 0 HE21 GLN A 42 81.222 -5.688 13.031 1.00 0.00 H new ATOM 0 HE22 GLN A 42 80.154 -4.400 13.598 1.00 0.00 H new ATOM 650 N ALA A 43 84.732 -6.601 10.168 1.00 0.00 N ATOM 651 CA ALA A 43 84.185 -7.743 9.447 1.00 0.00 C ATOM 652 C ALA A 43 85.003 -9.007 9.738 1.00 0.00 C ATOM 653 O ALA A 43 86.201 -9.049 9.457 1.00 0.00 O ATOM 654 CB ALA A 43 84.198 -7.456 7.943 1.00 0.00 C ATOM 0 H ALA A 43 85.159 -5.888 9.576 1.00 0.00 H new ATOM 0 HA ALA A 43 83.160 -7.907 9.780 1.00 0.00 H new ATOM 0 HB1 ALA A 43 83.788 -8.311 7.406 1.00 0.00 H new ATOM 0 HB2 ALA A 43 83.593 -6.574 7.736 1.00 0.00 H new ATOM 0 HB3 ALA A 43 85.222 -7.278 7.615 1.00 0.00 H new ATOM 660 N PRO A 44 84.389 -10.030 10.285 1.00 0.00 N ATOM 661 CA PRO A 44 85.092 -11.307 10.602 1.00 0.00 C ATOM 662 C PRO A 44 85.260 -12.190 9.368 1.00 0.00 C ATOM 663 O PRO A 44 84.417 -13.040 9.081 1.00 0.00 O ATOM 664 CB PRO A 44 84.166 -11.965 11.625 1.00 0.00 C ATOM 665 CG PRO A 44 82.798 -11.495 11.256 1.00 0.00 C ATOM 666 CD PRO A 44 82.964 -10.093 10.662 1.00 0.00 C ATOM 0 HA PRO A 44 86.105 -11.147 10.970 1.00 0.00 H new ATOM 0 HB2 PRO A 44 84.236 -13.052 11.581 1.00 0.00 H new ATOM 0 HB3 PRO A 44 84.425 -11.669 12.642 1.00 0.00 H new ATOM 0 HG2 PRO A 44 82.338 -12.170 10.534 1.00 0.00 H new ATOM 0 HG3 PRO A 44 82.147 -11.471 12.130 1.00 0.00 H new ATOM 0 HD2 PRO A 44 82.316 -9.947 9.798 1.00 0.00 H new ATOM 0 HD3 PRO A 44 82.709 -9.320 11.387 1.00 0.00 H new ATOM 674 N GLY A 45 86.352 -11.982 8.639 1.00 0.00 N ATOM 675 CA GLY A 45 86.614 -12.766 7.438 1.00 0.00 C ATOM 676 C GLY A 45 88.056 -12.590 6.974 1.00 0.00 C ATOM 677 O GLY A 45 88.918 -13.420 7.263 1.00 0.00 O ATOM 0 H GLY A 45 87.063 -11.284 8.856 1.00 0.00 H new ATOM 0 HA2 GLY A 45 86.418 -13.820 7.637 1.00 0.00 H new ATOM 0 HA3 GLY A 45 85.933 -12.460 6.644 1.00 0.00 H new ATOM 681 N PHE A 46 88.310 -11.505 6.250 1.00 0.00 N ATOM 682 CA PHE A 46 89.651 -11.228 5.748 1.00 0.00 C ATOM 683 C PHE A 46 90.581 -10.830 6.890 1.00 0.00 C ATOM 684 O PHE A 46 90.133 -10.334 7.924 1.00 0.00 O ATOM 685 CB PHE A 46 89.599 -10.097 4.718 1.00 0.00 C ATOM 686 CG PHE A 46 90.901 -10.047 3.955 1.00 0.00 C ATOM 687 CD1 PHE A 46 91.144 -10.961 2.922 1.00 0.00 C ATOM 688 CD2 PHE A 46 91.864 -9.084 4.278 1.00 0.00 C ATOM 689 CE1 PHE A 46 92.350 -10.912 2.214 1.00 0.00 C ATOM 690 CE2 PHE A 46 93.071 -9.036 3.570 1.00 0.00 C ATOM 691 CZ PHE A 46 93.314 -9.950 2.538 1.00 0.00 C ATOM 0 H PHE A 46 87.610 -10.807 5.999 1.00 0.00 H new ATOM 0 HA PHE A 46 90.035 -12.134 5.279 1.00 0.00 H new ATOM 0 HB2 PHE A 46 88.769 -10.256 4.030 1.00 0.00 H new ATOM 0 HB3 PHE A 46 89.422 -9.145 5.217 1.00 0.00 H new ATOM 0 HD1 PHE A 46 90.401 -11.704 2.672 1.00 0.00 H new ATOM 0 HD2 PHE A 46 91.676 -8.378 5.073 1.00 0.00 H new ATOM 0 HE1 PHE A 46 92.537 -11.617 1.417 1.00 0.00 H new ATOM 0 HE2 PHE A 46 93.815 -8.294 3.820 1.00 0.00 H new ATOM 0 HZ PHE A 46 94.245 -9.913 1.992 1.00 0.00 H new ATOM 701 N THR A 47 91.877 -11.049 6.695 1.00 0.00 N ATOM 702 CA THR A 47 92.860 -10.705 7.714 1.00 0.00 C ATOM 703 C THR A 47 93.071 -9.195 7.761 1.00 0.00 C ATOM 704 O THR A 47 94.034 -8.675 7.198 1.00 0.00 O ATOM 705 CB THR A 47 94.190 -11.400 7.414 1.00 0.00 C ATOM 706 OG1 THR A 47 93.946 -12.758 7.073 1.00 0.00 O ATOM 707 CG2 THR A 47 95.093 -11.336 8.647 1.00 0.00 C ATOM 0 H THR A 47 92.268 -11.460 5.847 1.00 0.00 H new ATOM 0 HA THR A 47 92.487 -11.040 8.682 1.00 0.00 H new ATOM 0 HB THR A 47 94.682 -10.898 6.581 1.00 0.00 H new ATOM 0 HG1 THR A 47 94.797 -13.204 6.879 1.00 0.00 H new ATOM 0 HG21 THR A 47 96.039 -11.832 8.431 1.00 0.00 H new ATOM 0 HG22 THR A 47 95.280 -10.294 8.907 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.604 -11.837 9.483 1.00 0.00 H new ATOM 715 N TYR A 48 92.161 -8.497 8.434 1.00 0.00 N ATOM 716 CA TYR A 48 92.255 -7.046 8.546 1.00 0.00 C ATOM 717 C TYR A 48 93.559 -6.644 9.225 1.00 0.00 C ATOM 718 O TYR A 48 94.108 -7.391 10.033 1.00 0.00 O ATOM 719 CB TYR A 48 91.067 -6.508 9.350 1.00 0.00 C ATOM 720 CG TYR A 48 89.883 -6.327 8.433 1.00 0.00 C ATOM 721 CD1 TYR A 48 89.835 -5.227 7.571 1.00 0.00 C ATOM 722 CD2 TYR A 48 88.837 -7.255 8.447 1.00 0.00 C ATOM 723 CE1 TYR A 48 88.739 -5.053 6.722 1.00 0.00 C ATOM 724 CE2 TYR A 48 87.739 -7.081 7.598 1.00 0.00 C ATOM 725 CZ TYR A 48 87.691 -5.980 6.735 1.00 0.00 C ATOM 726 OH TYR A 48 86.609 -5.804 5.900 1.00 0.00 O ATOM 0 H TYR A 48 91.356 -8.909 8.906 1.00 0.00 H new ATOM 0 HA TYR A 48 92.237 -6.619 7.543 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.816 -7.199 10.155 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.329 -5.558 9.816 1.00 0.00 H new ATOM 0 HD1 TYR A 48 90.645 -4.512 7.561 1.00 0.00 H new ATOM 0 HD2 TYR A 48 88.877 -8.105 9.112 1.00 0.00 H new ATOM 0 HE1 TYR A 48 88.701 -4.204 6.056 1.00 0.00 H new ATOM 0 HE2 TYR A 48 86.929 -7.795 7.608 1.00 0.00 H new ATOM 0 HH TYR A 48 85.912 -5.299 6.369 1.00 0.00 H new ATOM 736 N THR A 49 94.045 -5.455 8.887 1.00 0.00 N ATOM 737 CA THR A 49 95.287 -4.955 9.466 1.00 0.00 C ATOM 738 C THR A 49 95.008 -4.220 10.773 1.00 0.00 C ATOM 739 O THR A 49 93.929 -3.656 10.961 1.00 0.00 O ATOM 740 CB THR A 49 95.976 -4.009 8.481 1.00 0.00 C ATOM 741 OG1 THR A 49 95.166 -2.857 8.289 1.00 0.00 O ATOM 742 CG2 THR A 49 96.178 -4.724 7.142 1.00 0.00 C ATOM 0 H THR A 49 93.602 -4.823 8.220 1.00 0.00 H new ATOM 0 HA THR A 49 95.940 -5.803 9.672 1.00 0.00 H new ATOM 0 HB THR A 49 96.945 -3.709 8.880 1.00 0.00 H new ATOM 0 HG1 THR A 49 95.720 -2.052 8.360 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.669 -4.050 6.440 1.00 0.00 H new ATOM 0 HG22 THR A 49 96.799 -5.607 7.291 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.210 -5.024 6.740 1.00 0.00 H new ATOM 750 N ASP A 50 95.984 -4.232 11.674 1.00 0.00 N ATOM 751 CA ASP A 50 95.831 -3.564 12.960 1.00 0.00 C ATOM 752 C ASP A 50 95.275 -2.155 12.772 1.00 0.00 C ATOM 753 O ASP A 50 94.409 -1.714 13.526 1.00 0.00 O ATOM 754 CB ASP A 50 97.181 -3.489 13.676 1.00 0.00 C ATOM 755 CG ASP A 50 97.904 -4.827 13.566 1.00 0.00 C ATOM 756 OD1 ASP A 50 98.565 -5.039 12.562 1.00 0.00 O1- ATOM 757 OD2 ASP A 50 97.787 -5.618 14.486 1.00 0.00 O ATOM 0 H ASP A 50 96.883 -4.694 11.539 1.00 0.00 H new ATOM 0 HA ASP A 50 95.131 -4.141 13.564 1.00 0.00 H new ATOM 0 HB2 ASP A 50 97.791 -2.699 13.238 1.00 0.00 H new ATOM 0 HB3 ASP A 50 97.032 -3.232 14.725 1.00 0.00 H new ATOM 762 N ALA A 51 95.782 -1.457 11.761 1.00 0.00 N ATOM 763 CA ALA A 51 95.335 -0.097 11.481 1.00 0.00 C ATOM 764 C ALA A 51 93.818 -0.040 11.328 1.00 0.00 C ATOM 765 O ALA A 51 93.170 0.866 11.848 1.00 0.00 O ATOM 766 CB ALA A 51 95.997 0.413 10.200 1.00 0.00 C ATOM 0 H ALA A 51 96.498 -1.808 11.125 1.00 0.00 H new ATOM 0 HA ALA A 51 95.622 0.535 12.321 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.660 1.429 9.996 1.00 0.00 H new ATOM 0 HB2 ALA A 51 97.080 0.408 10.323 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.724 -0.234 9.367 1.00 0.00 H new ATOM 772 N ASN A 52 93.258 -1.006 10.609 1.00 0.00 N ATOM 773 CA ASN A 52 91.814 -1.046 10.396 1.00 0.00 C ATOM 774 C ASN A 52 91.119 -1.646 11.614 1.00 0.00 C ATOM 775 O ASN A 52 89.957 -1.347 11.891 1.00 0.00 O ATOM 776 CB ASN A 52 91.499 -1.882 9.144 1.00 0.00 C ATOM 777 CG ASN A 52 90.682 -1.074 8.135 1.00 0.00 C ATOM 778 OD1 ASN A 52 90.650 0.155 8.196 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.022 -1.699 7.201 1.00 0.00 N ATOM 0 H ASN A 52 93.775 -1.766 10.167 1.00 0.00 H new ATOM 0 HA ASN A 52 91.447 -0.030 10.250 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.428 -2.214 8.681 1.00 0.00 H new ATOM 0 HB3 ASN A 52 90.947 -2.777 9.430 1.00 0.00 H new ATOM 0 HD21 ASN A 52 89.478 -1.170 6.519 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.049 -2.717 7.152 1.00 0.00 H new ATOM 786 N LYS A 53 91.843 -2.484 12.343 1.00 0.00 N ATOM 787 CA LYS A 53 91.301 -3.117 13.535 1.00 0.00 C ATOM 788 C LYS A 53 91.474 -2.180 14.724 1.00 0.00 C ATOM 789 O LYS A 53 90.926 -2.411 15.802 1.00 0.00 O ATOM 790 CB LYS A 53 92.021 -4.458 13.768 1.00 0.00 C ATOM 791 CG LYS A 53 92.269 -4.699 15.263 1.00 0.00 C ATOM 792 CD LYS A 53 92.900 -6.081 15.458 1.00 0.00 C ATOM 793 CE LYS A 53 92.731 -6.521 16.914 1.00 0.00 C ATOM 794 NZ LYS A 53 93.264 -5.462 17.817 1.00 0.00 N1+ ATOM 0 H LYS A 53 92.807 -2.741 12.129 1.00 0.00 H new ATOM 0 HA LYS A 53 90.237 -3.317 13.410 1.00 0.00 H new ATOM 0 HB2 LYS A 53 91.422 -5.272 13.360 1.00 0.00 H new ATOM 0 HB3 LYS A 53 92.971 -4.462 13.233 1.00 0.00 H new ATOM 0 HG2 LYS A 53 92.927 -3.927 15.663 1.00 0.00 H new ATOM 0 HG3 LYS A 53 91.330 -4.635 15.814 1.00 0.00 H new ATOM 0 HD2 LYS A 53 92.429 -6.804 14.792 1.00 0.00 H new ATOM 0 HD3 LYS A 53 93.958 -6.049 15.198 1.00 0.00 H new ATOM 0 HE2 LYS A 53 91.678 -6.703 17.130 1.00 0.00 H new ATOM 0 HE3 LYS A 53 93.258 -7.459 17.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 93.435 -5.864 18.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 94.157 -5.094 17.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 92.573 -4.688 17.890 1.00 0.00 H new ATOM 808 N ASN A 54 92.237 -1.116 14.507 1.00 0.00 N ATOM 809 CA ASN A 54 92.478 -0.136 15.554 1.00 0.00 C ATOM 810 C ASN A 54 91.181 0.563 15.922 1.00 0.00 C ATOM 811 O ASN A 54 91.064 1.174 16.984 1.00 0.00 O ATOM 812 CB ASN A 54 93.498 0.894 15.066 1.00 0.00 C ATOM 813 CG ASN A 54 92.805 2.033 14.320 1.00 0.00 C ATOM 814 OD1 ASN A 54 93.185 3.195 14.472 1.00 0.00 O ATOM 815 ND2 ASN A 54 91.809 1.769 13.521 1.00 0.00 N ATOM 0 H ASN A 54 92.697 -0.912 13.620 1.00 0.00 H new ATOM 0 HA ASN A 54 92.868 -0.645 16.435 1.00 0.00 H new ATOM 0 HB2 ASN A 54 94.052 1.294 15.915 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.223 0.412 14.410 1.00 0.00 H new ATOM 0 HD21 ASN A 54 91.343 2.525 13.020 1.00 0.00 H new ATOM 0 HD22 ASN A 54 91.496 0.806 13.397 1.00 0.00 H new ATOM 822 N LYS A 55 90.214 0.467 15.023 1.00 0.00 N ATOM 823 CA LYS A 55 88.912 1.091 15.239 1.00 0.00 C ATOM 824 C LYS A 55 89.070 2.594 15.434 1.00 0.00 C ATOM 825 O LYS A 55 88.778 3.126 16.504 1.00 0.00 O ATOM 826 CB LYS A 55 88.234 0.482 16.469 1.00 0.00 C ATOM 827 CG LYS A 55 87.788 -0.949 16.154 1.00 0.00 C ATOM 828 CD LYS A 55 87.638 -1.742 17.457 1.00 0.00 C ATOM 829 CE LYS A 55 86.647 -1.034 18.388 1.00 0.00 C ATOM 830 NZ LYS A 55 87.390 -0.126 19.309 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.302 -0.034 14.139 1.00 0.00 H new ATOM 0 HA LYS A 55 88.292 0.910 14.361 1.00 0.00 H new ATOM 0 HB2 LYS A 55 88.923 0.481 17.314 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.374 1.086 16.759 1.00 0.00 H new ATOM 0 HG2 LYS A 55 86.841 -0.935 15.615 1.00 0.00 H new ATOM 0 HG3 LYS A 55 88.517 -1.433 15.504 1.00 0.00 H new ATOM 0 HD2 LYS A 55 87.289 -2.752 17.240 1.00 0.00 H new ATOM 0 HD3 LYS A 55 88.606 -1.838 17.948 1.00 0.00 H new ATOM 0 HE2 LYS A 55 85.925 -0.464 17.803 1.00 0.00 H new ATOM 0 HE3 LYS A 55 86.083 -1.769 18.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 87.016 -0.228 20.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 88.400 -0.374 19.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 87.273 0.859 18.995 1.00 0.00 H new ATOM 844 N GLY A 56 89.539 3.274 14.392 1.00 0.00 N ATOM 845 CA GLY A 56 89.739 4.717 14.461 1.00 0.00 C ATOM 846 C GLY A 56 88.475 5.468 14.063 1.00 0.00 C ATOM 847 O GLY A 56 88.127 6.482 14.668 1.00 0.00 O ATOM 0 H GLY A 56 89.786 2.853 13.496 1.00 0.00 H new ATOM 0 HA2 GLY A 56 90.029 4.999 15.473 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.559 5.005 13.803 1.00 0.00 H new ATOM 851 N ILE A 57 87.788 4.964 13.042 1.00 0.00 N ATOM 852 CA ILE A 57 86.561 5.597 12.573 1.00 0.00 C ATOM 853 C ILE A 57 85.584 4.546 12.059 1.00 0.00 C ATOM 854 O ILE A 57 85.923 3.366 11.968 1.00 0.00 O ATOM 855 CB ILE A 57 86.877 6.604 11.463 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.404 5.866 10.223 1.00 0.00 C ATOM 857 CG2 ILE A 57 87.943 7.584 11.959 1.00 0.00 C ATOM 858 CD1 ILE A 57 86.238 5.303 9.397 1.00 0.00 C ATOM 0 H ILE A 57 88.058 4.126 12.527 1.00 0.00 H new ATOM 0 HA ILE A 57 86.101 6.124 13.409 1.00 0.00 H new ATOM 0 HB ILE A 57 85.969 7.146 11.200 1.00 0.00 H new ATOM 0 HG12 ILE A 57 87.996 6.547 9.611 1.00 0.00 H new ATOM 0 HG13 ILE A 57 88.066 5.056 10.529 1.00 0.00 H new ATOM 0 HG21 ILE A 57 88.171 8.303 11.172 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.571 8.113 12.837 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.847 7.035 12.222 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.629 4.783 8.522 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.664 4.605 10.007 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.592 6.120 9.075 1.00 0.00 H new ATOM 870 N THR A 58 84.369 4.978 11.735 1.00 0.00 N ATOM 871 CA THR A 58 83.344 4.061 11.243 1.00 0.00 C ATOM 872 C THR A 58 83.021 4.332 9.778 1.00 0.00 C ATOM 873 O THR A 58 82.953 5.484 9.350 1.00 0.00 O ATOM 874 CB THR A 58 82.072 4.214 12.083 1.00 0.00 C ATOM 875 OG1 THR A 58 82.320 3.746 13.401 1.00 0.00 O ATOM 876 CG2 THR A 58 80.938 3.402 11.456 1.00 0.00 C ATOM 0 H THR A 58 84.070 5.951 11.803 1.00 0.00 H new ATOM 0 HA THR A 58 83.726 3.044 11.328 1.00 0.00 H new ATOM 0 HB THR A 58 81.784 5.265 12.116 1.00 0.00 H new ATOM 0 HG1 THR A 58 81.508 3.844 13.941 1.00 0.00 H new ATOM 0 HG21 THR A 58 80.035 3.514 12.057 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.748 3.763 10.445 1.00 0.00 H new ATOM 0 HG23 THR A 58 81.221 2.350 11.419 1.00 0.00 H new ATOM 884 N TRP A 59 82.809 3.261 9.016 1.00 0.00 N ATOM 885 CA TRP A 59 82.477 3.405 7.606 1.00 0.00 C ATOM 886 C TRP A 59 81.153 4.147 7.462 1.00 0.00 C ATOM 887 O TRP A 59 80.205 3.893 8.206 1.00 0.00 O ATOM 888 CB TRP A 59 82.355 2.034 6.928 1.00 0.00 C ATOM 889 CG TRP A 59 83.470 1.131 7.357 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.769 1.490 7.468 1.00 0.00 C ATOM 891 CD2 TRP A 59 83.404 -0.281 7.723 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.503 0.386 7.874 1.00 0.00 N ATOM 893 CE2 TRP A 59 84.703 -0.724 8.051 1.00 0.00 C ATOM 894 CE3 TRP A 59 82.351 -1.208 7.801 1.00 0.00 C ATOM 895 CZ2 TRP A 59 84.949 -2.041 8.445 1.00 0.00 C ATOM 896 CZ3 TRP A 59 82.596 -2.534 8.195 1.00 0.00 C ATOM 897 CH2 TRP A 59 83.891 -2.948 8.517 1.00 0.00 C ATOM 0 H TRP A 59 82.861 2.298 9.348 1.00 0.00 H new ATOM 0 HA TRP A 59 83.277 3.967 7.125 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.396 1.582 7.181 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.375 2.155 5.845 1.00 0.00 H new ATOM 0 HD1 TRP A 59 85.169 2.474 7.273 1.00 0.00 H new ATOM 0 HE1 TRP A 59 86.512 0.394 8.024 1.00 0.00 H new ATOM 0 HE3 TRP A 59 81.346 -0.899 7.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 85.952 -2.356 8.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 81.778 -3.238 8.249 1.00 0.00 H new ATOM 0 HH2 TRP A 59 84.073 -3.968 8.821 1.00 0.00 H new ATOM 908 N LYS A 60 81.096 5.061 6.506 1.00 0.00 N ATOM 909 CA LYS A 60 79.886 5.837 6.269 1.00 0.00 C ATOM 910 C LYS A 60 79.861 6.321 4.825 1.00 0.00 C ATOM 911 O LYS A 60 80.603 5.815 3.988 1.00 0.00 O ATOM 912 CB LYS A 60 79.834 7.032 7.226 1.00 0.00 C ATOM 913 CG LYS A 60 79.624 6.530 8.659 1.00 0.00 C ATOM 914 CD LYS A 60 79.202 7.695 9.560 1.00 0.00 C ATOM 915 CE LYS A 60 80.414 8.581 9.851 1.00 0.00 C ATOM 916 NZ LYS A 60 80.038 9.627 10.843 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.871 5.284 5.882 1.00 0.00 H new ATOM 0 HA LYS A 60 79.015 5.206 6.448 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.760 7.604 7.162 1.00 0.00 H new ATOM 0 HB3 LYS A 60 79.024 7.704 6.942 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.861 5.752 8.673 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.543 6.082 9.035 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.420 8.279 9.075 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.784 7.315 10.492 1.00 0.00 H new ATOM 0 HE2 LYS A 60 81.235 7.977 10.237 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.766 9.047 8.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.862 10.230 11.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 79.267 10.210 10.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.722 9.173 11.723 1.00 0.00 H new ATOM 930 N GLU A 61 79.005 7.292 4.532 1.00 0.00 N ATOM 931 CA GLU A 61 78.909 7.813 3.176 1.00 0.00 C ATOM 932 C GLU A 61 80.095 8.723 2.863 1.00 0.00 C ATOM 933 O GLU A 61 80.844 8.477 1.917 1.00 0.00 O ATOM 934 CB GLU A 61 77.605 8.598 3.011 1.00 0.00 C ATOM 935 CG GLU A 61 77.453 9.042 1.555 1.00 0.00 C ATOM 936 CD GLU A 61 76.136 9.789 1.375 1.00 0.00 C ATOM 937 OE1 GLU A 61 75.145 9.139 1.084 1.00 0.00 O1- ATOM 938 OE2 GLU A 61 76.138 10.999 1.532 1.00 0.00 O ATOM 0 H GLU A 61 78.376 7.729 5.205 1.00 0.00 H new ATOM 0 HA GLU A 61 78.919 6.972 2.483 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.757 7.979 3.303 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.607 9.467 3.668 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.287 9.684 1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.482 8.174 0.896 1.00 0.00 H new ATOM 945 N GLU A 62 80.259 9.772 3.660 1.00 0.00 N ATOM 946 CA GLU A 62 81.354 10.713 3.448 1.00 0.00 C ATOM 947 C GLU A 62 82.695 10.074 3.788 1.00 0.00 C ATOM 948 O GLU A 62 83.691 10.301 3.102 1.00 0.00 O ATOM 949 CB GLU A 62 81.147 11.959 4.309 1.00 0.00 C ATOM 950 CG GLU A 62 81.292 11.590 5.788 1.00 0.00 C ATOM 951 CD GLU A 62 80.773 12.726 6.662 1.00 0.00 C ATOM 952 OE1 GLU A 62 79.768 13.315 6.299 1.00 0.00 O1- ATOM 953 OE2 GLU A 62 81.386 12.988 7.684 1.00 0.00 O ATOM 0 H GLU A 62 79.655 9.992 4.452 1.00 0.00 H new ATOM 0 HA GLU A 62 81.361 10.995 2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 62 81.876 12.724 4.041 1.00 0.00 H new ATOM 0 HB3 GLU A 62 80.159 12.381 4.124 1.00 0.00 H new ATOM 0 HG2 GLU A 62 80.738 10.675 5.999 1.00 0.00 H new ATOM 0 HG3 GLU A 62 82.338 11.390 6.021 1.00 0.00 H new ATOM 960 N THR A 63 82.717 9.274 4.844 1.00 0.00 N ATOM 961 CA THR A 63 83.949 8.611 5.249 1.00 0.00 C ATOM 962 C THR A 63 84.470 7.748 4.112 1.00 0.00 C ATOM 963 O THR A 63 85.677 7.649 3.892 1.00 0.00 O ATOM 964 CB THR A 63 83.699 7.738 6.477 1.00 0.00 C ATOM 965 OG1 THR A 63 82.754 6.730 6.153 1.00 0.00 O ATOM 966 CG2 THR A 63 83.158 8.599 7.615 1.00 0.00 C ATOM 0 H THR A 63 81.907 9.069 5.430 1.00 0.00 H new ATOM 0 HA THR A 63 84.690 9.371 5.496 1.00 0.00 H new ATOM 0 HB THR A 63 84.634 7.274 6.790 1.00 0.00 H new ATOM 0 HG1 THR A 63 83.225 5.926 5.848 1.00 0.00 H new ATOM 0 HG21 THR A 63 82.980 7.975 8.491 1.00 0.00 H new ATOM 0 HG22 THR A 63 83.884 9.373 7.863 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.223 9.065 7.306 1.00 0.00 H new ATOM 974 N LEU A 64 83.546 7.132 3.384 1.00 0.00 N ATOM 975 CA LEU A 64 83.926 6.284 2.265 1.00 0.00 C ATOM 976 C LEU A 64 84.533 7.134 1.154 1.00 0.00 C ATOM 977 O LEU A 64 85.476 6.713 0.490 1.00 0.00 O ATOM 978 CB LEU A 64 82.706 5.516 1.731 1.00 0.00 C ATOM 979 CG LEU A 64 82.793 4.033 2.128 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.517 3.305 1.682 1.00 0.00 C ATOM 981 CD2 LEU A 64 84.018 3.386 1.460 1.00 0.00 C ATOM 0 H LEU A 64 82.542 7.203 3.547 1.00 0.00 H new ATOM 0 HA LEU A 64 84.666 5.562 2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.790 5.953 2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.657 5.607 0.646 1.00 0.00 H new ATOM 0 HG LEU A 64 82.893 3.956 3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.580 2.254 1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.652 3.759 2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.412 3.385 0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.075 2.335 1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.925 3.464 0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.923 3.899 1.785 1.00 0.00 H new ATOM 993 N MET A 65 83.990 8.333 0.956 1.00 0.00 N ATOM 994 CA MET A 65 84.506 9.221 -0.085 1.00 0.00 C ATOM 995 C MET A 65 85.997 9.466 0.109 1.00 0.00 C ATOM 996 O MET A 65 86.800 9.200 -0.785 1.00 0.00 O ATOM 997 CB MET A 65 83.765 10.558 -0.058 1.00 0.00 C ATOM 998 CG MET A 65 82.284 10.321 -0.339 1.00 0.00 C ATOM 999 SD MET A 65 81.369 11.859 -0.064 1.00 0.00 S ATOM 1000 CE MET A 65 80.751 12.058 -1.750 1.00 0.00 C ATOM 0 H MET A 65 83.207 8.708 1.491 1.00 0.00 H new ATOM 0 HA MET A 65 84.347 8.739 -1.050 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.890 11.037 0.913 1.00 0.00 H new ATOM 0 HB3 MET A 65 84.184 11.234 -0.803 1.00 0.00 H new ATOM 0 HG2 MET A 65 82.147 9.981 -1.366 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.900 9.535 0.311 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.177 12.982 -1.820 1.00 0.00 H new ATOM 0 HE2 MET A 65 81.591 12.099 -2.443 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.111 11.213 -2.005 1.00 0.00 H new ATOM 1010 N GLU A 66 86.364 9.968 1.284 1.00 0.00 N ATOM 1011 CA GLU A 66 87.767 10.234 1.578 1.00 0.00 C ATOM 1012 C GLU A 66 88.576 8.950 1.455 1.00 0.00 C ATOM 1013 O GLU A 66 89.764 8.976 1.135 1.00 0.00 O ATOM 1014 CB GLU A 66 87.907 10.797 2.994 1.00 0.00 C ATOM 1015 CG GLU A 66 87.040 12.051 3.134 1.00 0.00 C ATOM 1016 CD GLU A 66 87.361 12.763 4.442 1.00 0.00 C ATOM 1017 OE1 GLU A 66 88.512 13.122 4.633 1.00 0.00 O ATOM 1018 OE2 GLU A 66 86.452 12.940 5.237 1.00 0.00 O1- ATOM 0 H GLU A 66 85.718 10.196 2.040 1.00 0.00 H new ATOM 0 HA GLU A 66 88.144 10.965 0.863 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.603 10.049 3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.950 11.038 3.199 1.00 0.00 H new ATOM 0 HG2 GLU A 66 87.217 12.721 2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 66 85.985 11.778 3.108 1.00 0.00 H new ATOM 1025 N TYR A 67 87.916 7.826 1.707 1.00 0.00 N ATOM 1026 CA TYR A 67 88.568 6.526 1.618 1.00 0.00 C ATOM 1027 C TYR A 67 88.707 6.102 0.159 1.00 0.00 C ATOM 1028 O TYR A 67 89.639 5.388 -0.206 1.00 0.00 O ATOM 1029 CB TYR A 67 87.740 5.490 2.383 1.00 0.00 C ATOM 1030 CG TYR A 67 88.404 4.135 2.312 1.00 0.00 C ATOM 1031 CD1 TYR A 67 89.437 3.812 3.200 1.00 0.00 C ATOM 1032 CD2 TYR A 67 87.977 3.198 1.364 1.00 0.00 C ATOM 1033 CE1 TYR A 67 90.044 2.552 3.139 1.00 0.00 C ATOM 1034 CE2 TYR A 67 88.585 1.938 1.301 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.619 1.615 2.189 1.00 0.00 C ATOM 1036 OH TYR A 67 90.217 0.374 2.127 1.00 0.00 O ATOM 0 H TYR A 67 86.932 7.789 1.974 1.00 0.00 H new ATOM 0 HA TYR A 67 89.563 6.595 2.057 1.00 0.00 H new ATOM 0 HB2 TYR A 67 87.633 5.796 3.424 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.736 5.434 1.962 1.00 0.00 H new ATOM 0 HD1 TYR A 67 89.766 4.535 3.932 1.00 0.00 H new ATOM 0 HD2 TYR A 67 87.178 3.447 0.681 1.00 0.00 H new ATOM 0 HE1 TYR A 67 90.840 2.303 3.825 1.00 0.00 H new ATOM 0 HE2 TYR A 67 88.257 1.216 0.568 1.00 0.00 H new ATOM 0 HH TYR A 67 90.209 0.053 1.201 1.00 0.00 H new ATOM 1046 N LEU A 68 87.765 6.547 -0.667 1.00 0.00 N ATOM 1047 CA LEU A 68 87.776 6.206 -2.087 1.00 0.00 C ATOM 1048 C LEU A 68 88.804 7.040 -2.848 1.00 0.00 C ATOM 1049 O LEU A 68 89.266 6.642 -3.917 1.00 0.00 O ATOM 1050 CB LEU A 68 86.382 6.442 -2.690 1.00 0.00 C ATOM 1051 CG LEU A 68 85.427 5.298 -2.326 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.087 5.533 -3.013 1.00 0.00 C ATOM 1053 CD2 LEU A 68 85.981 3.954 -2.800 1.00 0.00 C ATOM 0 H LEU A 68 86.988 7.142 -0.380 1.00 0.00 H new ATOM 0 HA LEU A 68 88.048 5.154 -2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 68 85.979 7.387 -2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.460 6.525 -3.774 1.00 0.00 H new ATOM 0 HG LEU A 68 85.312 5.275 -1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.402 4.724 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.668 6.482 -2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 68 84.232 5.561 -4.093 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.286 3.159 -2.530 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.107 3.974 -3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 68 86.945 3.770 -2.326 1.00 0.00 H new ATOM 1065 N GLU A 69 89.157 8.200 -2.300 1.00 0.00 N ATOM 1066 CA GLU A 69 90.129 9.076 -2.955 1.00 0.00 C ATOM 1067 C GLU A 69 91.535 8.805 -2.431 1.00 0.00 C ATOM 1068 O GLU A 69 92.521 9.293 -2.983 1.00 0.00 O ATOM 1069 CB GLU A 69 89.752 10.544 -2.717 1.00 0.00 C ATOM 1070 CG GLU A 69 90.407 11.061 -1.430 1.00 0.00 C ATOM 1071 CD GLU A 69 89.724 12.347 -0.978 1.00 0.00 C ATOM 1072 OE1 GLU A 69 89.235 13.068 -1.833 1.00 0.00 O1- ATOM 1073 OE2 GLU A 69 89.701 12.593 0.216 1.00 0.00 O ATOM 0 H GLU A 69 88.791 8.553 -1.416 1.00 0.00 H new ATOM 0 HA GLU A 69 90.115 8.872 -4.026 1.00 0.00 H new ATOM 0 HB2 GLU A 69 90.072 11.150 -3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 69 88.669 10.641 -2.646 1.00 0.00 H new ATOM 0 HG2 GLU A 69 90.335 10.306 -0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 69 91.468 11.243 -1.600 1.00 0.00 H new ATOM 1080 N ASN A 70 91.615 8.026 -1.361 1.00 0.00 N ATOM 1081 CA ASN A 70 92.902 7.695 -0.759 1.00 0.00 C ATOM 1082 C ASN A 70 92.709 6.675 0.362 1.00 0.00 C ATOM 1083 O ASN A 70 92.828 6.999 1.545 1.00 0.00 O ATOM 1084 CB ASN A 70 93.564 8.966 -0.214 1.00 0.00 C ATOM 1085 CG ASN A 70 95.084 8.843 -0.287 1.00 0.00 C ATOM 1086 OD1 ASN A 70 95.761 9.772 -0.727 1.00 0.00 O ATOM 1087 ND2 ASN A 70 95.662 7.748 0.119 1.00 0.00 N ATOM 0 H ASN A 70 90.809 7.612 -0.893 1.00 0.00 H new ATOM 0 HA ASN A 70 93.550 7.259 -1.519 1.00 0.00 H new ATOM 0 HB2 ASN A 70 93.234 9.831 -0.789 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.255 9.132 0.818 1.00 0.00 H new ATOM 0 HD21 ASN A 70 96.677 7.660 0.072 1.00 0.00 H new ATOM 0 HD22 ASN A 70 95.099 6.979 0.483 1.00 0.00 H new ATOM 1094 N PRO A 71 92.400 5.460 0.002 1.00 0.00 N ATOM 1095 CA PRO A 71 92.161 4.355 0.979 1.00 0.00 C ATOM 1096 C PRO A 71 93.278 4.210 2.014 1.00 0.00 C ATOM 1097 O PRO A 71 93.020 3.879 3.173 1.00 0.00 O ATOM 1098 CB PRO A 71 92.081 3.103 0.096 1.00 0.00 C ATOM 1099 CG PRO A 71 91.682 3.592 -1.258 1.00 0.00 C ATOM 1100 CD PRO A 71 92.242 5.008 -1.389 1.00 0.00 C ATOM 0 HA PRO A 71 91.264 4.538 1.571 1.00 0.00 H new ATOM 0 HB2 PRO A 71 93.040 2.587 0.060 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.352 2.393 0.487 1.00 0.00 H new ATOM 0 HG2 PRO A 71 92.081 2.943 -2.038 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.597 3.592 -1.367 1.00 0.00 H new ATOM 0 HD2 PRO A 71 93.194 5.013 -1.921 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.563 5.656 -1.944 1.00 0.00 H new ATOM 1108 N LYS A 72 94.515 4.429 1.586 1.00 0.00 N ATOM 1109 CA LYS A 72 95.660 4.284 2.482 1.00 0.00 C ATOM 1110 C LYS A 72 95.836 5.501 3.388 1.00 0.00 C ATOM 1111 O LYS A 72 96.035 5.357 4.595 1.00 0.00 O ATOM 1112 CB LYS A 72 96.931 4.078 1.652 1.00 0.00 C ATOM 1113 CG LYS A 72 98.139 3.843 2.574 1.00 0.00 C ATOM 1114 CD LYS A 72 98.179 2.381 3.043 1.00 0.00 C ATOM 1115 CE LYS A 72 98.337 1.439 1.841 1.00 0.00 C ATOM 1116 NZ LYS A 72 99.231 0.308 2.216 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.752 4.705 0.633 1.00 0.00 H new ATOM 0 HA LYS A 72 95.477 3.419 3.120 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.803 3.226 0.984 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.109 4.951 1.024 1.00 0.00 H new ATOM 0 HG2 LYS A 72 99.061 4.087 2.046 1.00 0.00 H new ATOM 0 HG3 LYS A 72 98.081 4.507 3.437 1.00 0.00 H new ATOM 0 HD2 LYS A 72 99.007 2.237 3.737 1.00 0.00 H new ATOM 0 HD3 LYS A 72 97.264 2.141 3.584 1.00 0.00 H new ATOM 0 HE2 LYS A 72 97.363 1.060 1.531 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.754 1.981 0.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 99.780 0.009 1.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 99.881 0.614 2.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 98.657 -0.490 2.557 1.00 0.00 H new ATOM 1130 N LYS A 73 95.793 6.692 2.807 1.00 0.00 N ATOM 1131 CA LYS A 73 95.982 7.909 3.587 1.00 0.00 C ATOM 1132 C LYS A 73 94.922 8.049 4.677 1.00 0.00 C ATOM 1133 O LYS A 73 95.167 8.669 5.711 1.00 0.00 O ATOM 1134 CB LYS A 73 95.944 9.137 2.676 1.00 0.00 C ATOM 1135 CG LYS A 73 96.346 10.379 3.477 1.00 0.00 C ATOM 1136 CD LYS A 73 96.325 11.614 2.567 1.00 0.00 C ATOM 1137 CE LYS A 73 94.922 12.226 2.554 1.00 0.00 C ATOM 1138 NZ LYS A 73 94.644 12.857 3.876 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.631 6.842 1.811 1.00 0.00 H new ATOM 0 HA LYS A 73 96.958 7.840 4.067 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.622 8.999 1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 73 94.944 9.266 2.263 1.00 0.00 H new ATOM 0 HG2 LYS A 73 95.662 10.521 4.313 1.00 0.00 H new ATOM 0 HG3 LYS A 73 97.342 10.244 3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 73 97.049 12.349 2.919 1.00 0.00 H new ATOM 0 HD3 LYS A 73 96.620 11.336 1.555 1.00 0.00 H new ATOM 0 HE2 LYS A 73 94.845 12.969 1.761 1.00 0.00 H new ATOM 0 HE3 LYS A 73 94.180 11.456 2.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 93.957 13.628 3.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 94.254 12.145 4.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 95.527 13.239 4.271 1.00 0.00 H new ATOM 1152 N TYR A 74 93.742 7.480 4.445 1.00 0.00 N ATOM 1153 CA TYR A 74 92.666 7.568 5.428 1.00 0.00 C ATOM 1154 C TYR A 74 92.996 6.730 6.660 1.00 0.00 C ATOM 1155 O TYR A 74 93.041 7.244 7.777 1.00 0.00 O ATOM 1156 CB TYR A 74 91.343 7.097 4.807 1.00 0.00 C ATOM 1157 CG TYR A 74 90.188 7.850 5.433 1.00 0.00 C ATOM 1158 CD1 TYR A 74 90.099 9.241 5.287 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.209 7.160 6.158 1.00 0.00 C ATOM 1160 CE1 TYR A 74 89.033 9.940 5.867 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.143 7.860 6.737 1.00 0.00 C ATOM 1162 CZ TYR A 74 88.055 9.249 6.591 1.00 0.00 C ATOM 1163 OH TYR A 74 87.005 9.938 7.164 1.00 0.00 O ATOM 0 H TYR A 74 93.508 6.961 3.599 1.00 0.00 H new ATOM 0 HA TYR A 74 92.562 8.609 5.735 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.357 7.263 3.730 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.218 6.025 4.963 1.00 0.00 H new ATOM 0 HD1 TYR A 74 90.853 9.774 4.727 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.276 6.088 6.271 1.00 0.00 H new ATOM 0 HE1 TYR A 74 88.966 11.012 5.756 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.388 7.327 7.297 1.00 0.00 H new ATOM 0 HH TYR A 74 86.416 9.308 7.629 1.00 0.00 H new ATOM 1173 N ILE A 75 93.239 5.439 6.447 1.00 0.00 N ATOM 1174 CA ILE A 75 93.579 4.538 7.546 1.00 0.00 C ATOM 1175 C ILE A 75 94.882 3.802 7.235 1.00 0.00 C ATOM 1176 O ILE A 75 94.877 2.607 6.940 1.00 0.00 O ATOM 1177 CB ILE A 75 92.448 3.527 7.764 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.144 4.282 8.053 1.00 0.00 C ATOM 1179 CG2 ILE A 75 92.787 2.622 8.954 1.00 0.00 C ATOM 1180 CD1 ILE A 75 89.949 3.355 7.823 1.00 0.00 C ATOM 0 H ILE A 75 93.207 4.995 5.529 1.00 0.00 H new ATOM 0 HA ILE A 75 93.711 5.124 8.455 1.00 0.00 H new ATOM 0 HB ILE A 75 92.329 2.916 6.869 1.00 0.00 H new ATOM 0 HG12 ILE A 75 91.143 4.644 9.081 1.00 0.00 H new ATOM 0 HG13 ILE A 75 91.068 5.156 7.407 1.00 0.00 H new ATOM 0 HG21 ILE A 75 91.981 1.904 9.107 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.715 2.088 8.752 1.00 0.00 H new ATOM 0 HG23 ILE A 75 92.906 3.230 9.851 1.00 0.00 H new ATOM 0 HD11 ILE A 75 89.025 3.895 8.029 1.00 0.00 H new ATOM 0 HD12 ILE A 75 89.947 3.014 6.788 1.00 0.00 H new ATOM 0 HD13 ILE A 75 90.023 2.495 8.488 1.00 0.00 H new ATOM 1192 N PRO A 76 95.989 4.499 7.287 1.00 0.00 N ATOM 1193 CA PRO A 76 97.329 3.914 6.999 1.00 0.00 C ATOM 1194 C PRO A 76 97.501 2.530 7.617 1.00 0.00 C ATOM 1195 O PRO A 76 97.260 2.337 8.807 1.00 0.00 O ATOM 1196 CB PRO A 76 98.295 4.921 7.623 1.00 0.00 C ATOM 1197 CG PRO A 76 97.585 6.235 7.546 1.00 0.00 C ATOM 1198 CD PRO A 76 96.085 5.930 7.629 1.00 0.00 C ATOM 0 HA PRO A 76 97.493 3.761 5.932 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.528 4.658 8.655 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.240 4.950 7.080 1.00 0.00 H new ATOM 0 HG2 PRO A 76 97.893 6.890 8.361 1.00 0.00 H new ATOM 0 HG3 PRO A 76 97.824 6.750 6.616 1.00 0.00 H new ATOM 0 HD2 PRO A 76 95.693 6.129 8.626 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.514 6.545 6.933 1.00 0.00 H new ATOM 1206 N GLY A 77 97.919 1.570 6.796 1.00 0.00 N ATOM 1207 CA GLY A 77 98.122 0.201 7.263 1.00 0.00 C ATOM 1208 C GLY A 77 97.155 -0.752 6.572 1.00 0.00 C ATOM 1209 O GLY A 77 97.466 -1.925 6.367 1.00 0.00 O ATOM 0 H GLY A 77 98.123 1.714 5.807 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.148 -0.108 7.065 1.00 0.00 H new ATOM 0 HA3 GLY A 77 97.978 0.154 8.342 1.00 0.00 H new ATOM 1213 N THR A 78 95.984 -0.238 6.211 1.00 0.00 N ATOM 1214 CA THR A 78 94.976 -1.051 5.539 1.00 0.00 C ATOM 1215 C THR A 78 95.558 -1.688 4.282 1.00 0.00 C ATOM 1216 O THR A 78 96.368 -1.077 3.585 1.00 0.00 O ATOM 1217 CB THR A 78 93.775 -0.184 5.164 1.00 0.00 C ATOM 1218 OG1 THR A 78 92.727 -1.012 4.679 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.188 0.809 4.081 1.00 0.00 C ATOM 0 H THR A 78 95.710 0.731 6.371 1.00 0.00 H new ATOM 0 HA THR A 78 94.656 -1.840 6.219 1.00 0.00 H new ATOM 0 HB THR A 78 93.427 0.360 6.042 1.00 0.00 H new ATOM 0 HG1 THR A 78 91.956 -0.457 4.440 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.333 1.429 3.811 1.00 0.00 H new ATOM 0 HG22 THR A 78 94.992 1.442 4.456 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.534 0.265 3.202 1.00 0.00 H new ATOM 1227 N LYS A 79 95.145 -2.920 3.997 1.00 0.00 N ATOM 1228 CA LYS A 79 95.644 -3.624 2.817 1.00 0.00 C ATOM 1229 C LYS A 79 94.741 -3.361 1.611 1.00 0.00 C ATOM 1230 O LYS A 79 93.773 -4.082 1.376 1.00 0.00 O ATOM 1231 CB LYS A 79 95.716 -5.135 3.104 1.00 0.00 C ATOM 1232 CG LYS A 79 97.173 -5.614 3.070 1.00 0.00 C ATOM 1233 CD LYS A 79 97.647 -5.720 1.618 1.00 0.00 C ATOM 1234 CE LYS A 79 99.175 -5.787 1.581 1.00 0.00 C ATOM 1235 NZ LYS A 79 99.662 -6.630 2.708 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.475 -3.447 4.558 1.00 0.00 H new ATOM 0 HA LYS A 79 96.643 -3.254 2.586 1.00 0.00 H new ATOM 0 HB2 LYS A 79 95.279 -5.348 4.079 1.00 0.00 H new ATOM 0 HB3 LYS A 79 95.129 -5.681 2.365 1.00 0.00 H new ATOM 0 HG2 LYS A 79 97.807 -4.919 3.620 1.00 0.00 H new ATOM 0 HG3 LYS A 79 97.259 -6.583 3.563 1.00 0.00 H new ATOM 0 HD2 LYS A 79 97.222 -6.608 1.150 1.00 0.00 H new ATOM 0 HD3 LYS A 79 97.297 -4.860 1.047 1.00 0.00 H new ATOM 0 HE2 LYS A 79 99.509 -6.204 0.631 1.00 0.00 H new ATOM 0 HE3 LYS A 79 99.596 -4.784 1.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 100.634 -6.943 2.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 99.647 -6.076 3.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 99.045 -7.461 2.812 1.00 0.00 H new ATOM 1249 N MET A 80 95.074 -2.325 0.846 1.00 0.00 N ATOM 1250 CA MET A 80 94.298 -1.976 -0.341 1.00 0.00 C ATOM 1251 C MET A 80 94.982 -0.849 -1.108 1.00 0.00 C ATOM 1252 O MET A 80 94.806 0.328 -0.790 1.00 0.00 O ATOM 1253 CB MET A 80 92.884 -1.540 0.058 1.00 0.00 C ATOM 1254 CG MET A 80 92.123 -1.079 -1.190 1.00 0.00 C ATOM 1255 SD MET A 80 90.352 -0.967 -0.821 1.00 0.00 S ATOM 1256 CE MET A 80 89.972 0.403 -1.940 1.00 0.00 C ATOM 0 H MET A 80 95.872 -1.715 1.025 1.00 0.00 H new ATOM 0 HA MET A 80 94.234 -2.856 -0.981 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.357 -2.367 0.534 1.00 0.00 H new ATOM 0 HB3 MET A 80 92.933 -0.731 0.787 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.498 -0.110 -1.518 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.290 -1.779 -2.009 1.00 0.00 H new ATOM 0 HE1 MET A 80 88.961 0.761 -1.747 1.00 0.00 H new ATOM 0 HE2 MET A 80 90.681 1.214 -1.776 1.00 0.00 H new ATOM 0 HE3 MET A 80 90.045 0.061 -2.972 1.00 0.00 H new ATOM 1266 N ILE A 81 95.763 -1.219 -2.119 1.00 0.00 N ATOM 1267 CA ILE A 81 96.475 -0.236 -2.932 1.00 0.00 C ATOM 1268 C ILE A 81 96.321 -0.556 -4.414 1.00 0.00 C ATOM 1269 O ILE A 81 97.099 -1.326 -4.977 1.00 0.00 O ATOM 1270 CB ILE A 81 97.960 -0.230 -2.563 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.121 0.064 -1.063 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.677 0.849 -3.378 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.106 -1.245 -0.263 1.00 0.00 C ATOM 0 H ILE A 81 95.919 -2.189 -2.395 1.00 0.00 H new ATOM 0 HA ILE A 81 96.048 0.747 -2.736 1.00 0.00 H new ATOM 0 HB ILE A 81 98.394 -1.205 -2.784 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.056 0.596 -0.887 1.00 0.00 H new ATOM 0 HG13 ILE A 81 97.316 0.715 -0.724 1.00 0.00 H new ATOM 0 HG21 ILE A 81 99.736 0.857 -3.119 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.565 0.636 -4.441 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.241 1.823 -3.155 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.221 -1.024 0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 81 97.159 -1.760 -0.426 1.00 0.00 H new ATOM 0 HD13 ILE A 81 98.927 -1.882 -0.592 1.00 0.00 H new ATOM 1285 N PHE A 82 95.311 0.042 -5.043 1.00 0.00 N ATOM 1286 CA PHE A 82 95.059 -0.182 -6.464 1.00 0.00 C ATOM 1287 C PHE A 82 95.018 1.144 -7.216 1.00 0.00 C ATOM 1288 O PHE A 82 95.891 1.431 -8.036 1.00 0.00 O ATOM 1289 CB PHE A 82 93.729 -0.914 -6.652 1.00 0.00 C ATOM 1290 CG PHE A 82 93.485 -1.140 -8.125 1.00 0.00 C ATOM 1291 CD1 PHE A 82 94.323 -1.997 -8.849 1.00 0.00 C ATOM 1292 CD2 PHE A 82 92.424 -0.491 -8.770 1.00 0.00 C ATOM 1293 CE1 PHE A 82 94.101 -2.206 -10.215 1.00 0.00 C ATOM 1294 CE2 PHE A 82 92.203 -0.699 -10.136 1.00 0.00 C ATOM 1295 CZ PHE A 82 93.041 -1.556 -10.859 1.00 0.00 C ATOM 0 H PHE A 82 94.657 0.682 -4.593 1.00 0.00 H new ATOM 0 HA PHE A 82 95.869 -0.792 -6.864 1.00 0.00 H new ATOM 0 HB2 PHE A 82 93.748 -1.868 -6.125 1.00 0.00 H new ATOM 0 HB3 PHE A 82 92.915 -0.329 -6.223 1.00 0.00 H new ATOM 0 HD1 PHE A 82 95.142 -2.497 -8.353 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.777 0.170 -8.213 1.00 0.00 H new ATOM 0 HE1 PHE A 82 94.747 -2.868 -10.772 1.00 0.00 H new ATOM 0 HE2 PHE A 82 91.385 -0.198 -10.633 1.00 0.00 H new ATOM 0 HZ PHE A 82 92.870 -1.716 -11.913 1.00 0.00 H new ATOM 1305 N ALA A 83 93.999 1.949 -6.932 1.00 0.00 N ATOM 1306 CA ALA A 83 93.855 3.244 -7.590 1.00 0.00 C ATOM 1307 C ALA A 83 92.634 3.985 -7.053 1.00 0.00 C ATOM 1308 O ALA A 83 91.495 3.593 -7.311 1.00 0.00 O ATOM 1309 CB ALA A 83 93.714 3.049 -9.100 1.00 0.00 C ATOM 0 H ALA A 83 93.266 1.731 -6.257 1.00 0.00 H new ATOM 0 HA ALA A 83 94.745 3.838 -7.383 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.607 4.020 -9.584 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.601 2.547 -9.486 1.00 0.00 H new ATOM 0 HB3 ALA A 83 92.833 2.441 -9.308 1.00 0.00 H new ATOM 1315 N GLY A 84 92.880 5.058 -6.310 1.00 0.00 N ATOM 1316 CA GLY A 84 91.792 5.849 -5.745 1.00 0.00 C ATOM 1317 C GLY A 84 90.999 6.546 -6.843 1.00 0.00 C ATOM 1318 O GLY A 84 91.216 6.302 -8.030 1.00 0.00 O ATOM 0 H GLY A 84 93.815 5.399 -6.086 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.130 5.204 -5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.196 6.591 -5.056 1.00 0.00 H new ATOM 1322 N ILE A 85 90.077 7.415 -6.438 1.00 0.00 N ATOM 1323 CA ILE A 85 89.249 8.146 -7.394 1.00 0.00 C ATOM 1324 C ILE A 85 89.704 9.603 -7.483 1.00 0.00 C ATOM 1325 O ILE A 85 90.411 10.096 -6.604 1.00 0.00 O ATOM 1326 CB ILE A 85 87.777 8.054 -6.961 1.00 0.00 C ATOM 1327 CG1 ILE A 85 87.166 6.771 -7.538 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.986 9.263 -7.471 1.00 0.00 C ATOM 1329 CD1 ILE A 85 85.763 6.556 -6.963 1.00 0.00 C ATOM 0 H ILE A 85 89.885 7.630 -5.460 1.00 0.00 H new ATOM 0 HA ILE A 85 89.354 7.703 -8.384 1.00 0.00 H new ATOM 0 HB ILE A 85 87.730 8.040 -5.872 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.116 6.839 -8.625 1.00 0.00 H new ATOM 0 HG13 ILE A 85 87.800 5.917 -7.300 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.947 9.178 -7.154 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.416 10.178 -7.063 1.00 0.00 H new ATOM 0 HG23 ILE A 85 87.031 9.295 -8.560 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.336 5.643 -7.378 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.824 6.468 -5.878 1.00 0.00 H new ATOM 0 HD13 ILE A 85 85.129 7.404 -7.223 1.00 0.00 H new ATOM 1341 N LYS A 86 89.308 10.280 -8.561 1.00 0.00 N ATOM 1342 CA LYS A 86 89.696 11.674 -8.766 1.00 0.00 C ATOM 1343 C LYS A 86 88.550 12.638 -8.456 1.00 0.00 C ATOM 1344 O LYS A 86 88.716 13.567 -7.666 1.00 0.00 O ATOM 1345 CB LYS A 86 90.144 11.876 -10.217 1.00 0.00 C ATOM 1346 CG LYS A 86 90.913 13.198 -10.345 1.00 0.00 C ATOM 1347 CD LYS A 86 92.402 12.962 -10.072 1.00 0.00 C ATOM 1348 CE LYS A 86 93.093 14.300 -9.801 1.00 0.00 C ATOM 1349 NZ LYS A 86 93.074 15.130 -11.038 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.724 9.889 -9.300 1.00 0.00 H new ATOM 0 HA LYS A 86 90.515 11.891 -8.081 1.00 0.00 H new ATOM 0 HB2 LYS A 86 90.776 11.045 -10.531 1.00 0.00 H new ATOM 0 HB3 LYS A 86 89.277 11.884 -10.877 1.00 0.00 H new ATOM 0 HG2 LYS A 86 90.778 13.612 -11.344 1.00 0.00 H new ATOM 0 HG3 LYS A 86 90.516 13.929 -9.641 1.00 0.00 H new ATOM 0 HD2 LYS A 86 92.524 12.298 -9.216 1.00 0.00 H new ATOM 0 HD3 LYS A 86 92.865 12.469 -10.927 1.00 0.00 H new ATOM 0 HE2 LYS A 86 92.587 14.825 -8.991 1.00 0.00 H new ATOM 0 HE3 LYS A 86 94.121 14.132 -9.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 93.686 15.961 -10.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 93.422 14.566 -11.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 92.101 15.443 -11.231 1.00 0.00 H new ATOM 1363 N LYS A 87 87.396 12.434 -9.092 1.00 0.00 N ATOM 1364 CA LYS A 87 86.257 13.325 -8.873 1.00 0.00 C ATOM 1365 C LYS A 87 85.377 12.838 -7.725 1.00 0.00 C ATOM 1366 O LYS A 87 85.425 11.670 -7.337 1.00 0.00 O ATOM 1367 CB LYS A 87 85.420 13.424 -10.151 1.00 0.00 C ATOM 1368 CG LYS A 87 86.345 13.499 -11.372 1.00 0.00 C ATOM 1369 CD LYS A 87 85.661 14.286 -12.494 1.00 0.00 C ATOM 1370 CE LYS A 87 84.355 13.591 -12.887 1.00 0.00 C ATOM 1371 NZ LYS A 87 83.743 14.305 -14.044 1.00 0.00 N1+ ATOM 0 H LYS A 87 87.226 11.674 -9.751 1.00 0.00 H new ATOM 0 HA LYS A 87 86.649 14.307 -8.609 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.762 12.559 -10.234 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.782 14.307 -10.112 1.00 0.00 H new ATOM 0 HG2 LYS A 87 87.284 13.979 -11.099 1.00 0.00 H new ATOM 0 HG3 LYS A 87 86.589 12.494 -11.717 1.00 0.00 H new ATOM 0 HD2 LYS A 87 85.458 15.305 -12.165 1.00 0.00 H new ATOM 0 HD3 LYS A 87 86.322 14.356 -13.358 1.00 0.00 H new ATOM 0 HE2 LYS A 87 84.548 12.551 -13.148 1.00 0.00 H new ATOM 0 HE3 LYS A 87 83.665 13.585 -12.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 82.855 13.834 -14.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 83.545 15.291 -13.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 84.401 14.289 -14.849 1.00 0.00 H new ATOM 1385 N LYS A 88 84.568 13.746 -7.189 1.00 0.00 N ATOM 1386 CA LYS A 88 83.674 13.404 -6.092 1.00 0.00 C ATOM 1387 C LYS A 88 82.543 12.515 -6.591 1.00 0.00 C ATOM 1388 O LYS A 88 82.319 11.430 -6.062 1.00 0.00 O ATOM 1389 CB LYS A 88 83.091 14.673 -5.469 1.00 0.00 C ATOM 1390 CG LYS A 88 82.443 14.329 -4.125 1.00 0.00 C ATOM 1391 CD LYS A 88 81.820 15.589 -3.511 1.00 0.00 C ATOM 1392 CE LYS A 88 80.385 15.755 -4.019 1.00 0.00 C ATOM 1393 NZ LYS A 88 79.827 17.043 -3.516 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.514 14.718 -7.495 1.00 0.00 H new ATOM 0 HA LYS A 88 84.246 12.865 -5.337 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.876 15.415 -5.327 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.353 15.114 -6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 88 81.678 13.565 -4.265 1.00 0.00 H new ATOM 0 HG3 LYS A 88 83.189 13.913 -3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 88 81.825 15.516 -2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 88 82.413 16.465 -3.774 1.00 0.00 H new ATOM 0 HE2 LYS A 88 80.369 15.740 -5.109 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.769 14.922 -3.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 78.852 17.157 -3.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 79.829 17.039 -2.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 80.410 17.832 -3.860 1.00 0.00 H new ATOM 1407 N THR A 89 81.835 12.983 -7.615 1.00 0.00 N ATOM 1408 CA THR A 89 80.730 12.213 -8.173 1.00 0.00 C ATOM 1409 C THR A 89 81.163 10.777 -8.431 1.00 0.00 C ATOM 1410 O THR A 89 80.351 9.856 -8.377 1.00 0.00 O ATOM 1411 CB THR A 89 80.247 12.838 -9.480 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.330 12.904 -10.398 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.711 14.246 -9.214 1.00 0.00 C ATOM 0 H THR A 89 82.004 13.880 -8.070 1.00 0.00 H new ATOM 0 HA THR A 89 79.914 12.220 -7.451 1.00 0.00 H new ATOM 0 HB THR A 89 79.449 12.227 -9.901 1.00 0.00 H new ATOM 0 HG1 THR A 89 81.022 13.303 -11.239 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.368 14.687 -10.150 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.879 14.192 -8.512 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.504 14.863 -8.791 1.00 0.00 H new ATOM 1421 N GLU A 90 82.449 10.589 -8.698 1.00 0.00 N ATOM 1422 CA GLU A 90 82.966 9.251 -8.941 1.00 0.00 C ATOM 1423 C GLU A 90 82.821 8.430 -7.667 1.00 0.00 C ATOM 1424 O GLU A 90 82.461 7.254 -7.708 1.00 0.00 O ATOM 1425 CB GLU A 90 84.443 9.313 -9.357 1.00 0.00 C ATOM 1426 CG GLU A 90 84.561 9.516 -10.869 1.00 0.00 C ATOM 1427 CD GLU A 90 86.024 9.433 -11.290 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.792 10.279 -10.862 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 86.355 8.525 -12.034 1.00 0.00 O ATOM 0 H GLU A 90 83.143 11.334 -8.751 1.00 0.00 H new ATOM 0 HA GLU A 90 82.402 8.787 -9.750 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.941 10.129 -8.834 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.949 8.392 -9.066 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.979 8.758 -11.393 1.00 0.00 H new ATOM 0 HG3 GLU A 90 84.147 10.485 -11.148 1.00 0.00 H new ATOM 1436 N ARG A 91 83.094 9.072 -6.535 1.00 0.00 N ATOM 1437 CA ARG A 91 82.979 8.404 -5.243 1.00 0.00 C ATOM 1438 C ARG A 91 81.518 8.298 -4.827 1.00 0.00 C ATOM 1439 O ARG A 91 81.065 7.243 -4.398 1.00 0.00 O ATOM 1440 CB ARG A 91 83.747 9.178 -4.167 1.00 0.00 C ATOM 1441 CG ARG A 91 85.112 9.608 -4.703 1.00 0.00 C ATOM 1442 CD ARG A 91 85.885 10.356 -3.611 1.00 0.00 C ATOM 1443 NE ARG A 91 86.556 11.520 -4.181 1.00 0.00 N ATOM 1444 CZ ARG A 91 87.040 12.484 -3.405 1.00 0.00 C ATOM 1445 NH1 ARG A 91 86.927 12.397 -2.108 1.00 0.00 N ATOM 1446 NH2 ARG A 91 87.630 13.517 -3.941 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.394 10.046 -6.486 1.00 0.00 H new ATOM 0 HA ARG A 91 83.403 7.405 -5.344 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.176 10.054 -3.861 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.875 8.555 -3.282 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.677 8.734 -5.028 1.00 0.00 H new ATOM 0 HG3 ARG A 91 84.985 10.249 -5.576 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.202 10.670 -2.821 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.618 9.692 -3.153 1.00 0.00 H new ATOM 0 HE ARG A 91 86.655 11.595 -5.193 1.00 0.00 H new ATOM 0 HH11 ARG A 91 86.467 11.589 -1.689 1.00 0.00 H new ATOM 0 HH12 ARG A 91 87.299 13.137 -1.513 1.00 0.00 H new ATOM 0 HH21 ARG A 91 87.719 13.584 -4.955 1.00 0.00 H new ATOM 0 HH22 ARG A 91 88.002 14.257 -3.346 1.00 0.00 H new ATOM 1460 N GLU A 92 80.786 9.403 -4.950 1.00 0.00 N ATOM 1461 CA GLU A 92 79.377 9.416 -4.575 1.00 0.00 C ATOM 1462 C GLU A 92 78.607 8.370 -5.371 1.00 0.00 C ATOM 1463 O GLU A 92 77.919 7.526 -4.798 1.00 0.00 O ATOM 1464 CB GLU A 92 78.778 10.801 -4.832 1.00 0.00 C ATOM 1465 CG GLU A 92 77.423 10.909 -4.129 1.00 0.00 C ATOM 1466 CD GLU A 92 76.803 12.275 -4.402 1.00 0.00 C ATOM 1467 OE1 GLU A 92 76.960 12.765 -5.508 1.00 0.00 O ATOM 1468 OE2 GLU A 92 76.179 12.811 -3.500 1.00 0.00 O1- ATOM 0 H GLU A 92 81.142 10.292 -5.303 1.00 0.00 H new ATOM 0 HA GLU A 92 79.299 9.182 -3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.453 11.575 -4.465 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.658 10.964 -5.903 1.00 0.00 H new ATOM 0 HG2 GLU A 92 76.757 10.121 -4.481 1.00 0.00 H new ATOM 0 HG3 GLU A 92 77.548 10.765 -3.056 1.00 0.00 H new ATOM 1475 N ASP A 93 78.734 8.422 -6.693 1.00 0.00 N ATOM 1476 CA ASP A 93 78.049 7.460 -7.546 1.00 0.00 C ATOM 1477 C ASP A 93 78.460 6.043 -7.165 1.00 0.00 C ATOM 1478 O ASP A 93 77.617 5.167 -6.971 1.00 0.00 O ATOM 1479 CB ASP A 93 78.398 7.716 -9.014 1.00 0.00 C ATOM 1480 CG ASP A 93 77.985 9.130 -9.409 1.00 0.00 C ATOM 1481 OD1 ASP A 93 77.299 9.767 -8.625 1.00 0.00 O ATOM 1482 OD2 ASP A 93 78.359 9.554 -10.489 1.00 0.00 O1- ATOM 0 H ASP A 93 79.298 9.111 -7.191 1.00 0.00 H new ATOM 0 HA ASP A 93 76.974 7.574 -7.409 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.469 7.584 -9.170 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.891 6.989 -9.649 1.00 0.00 H new ATOM 1487 N LEU A 94 79.767 5.832 -7.052 1.00 0.00 N ATOM 1488 CA LEU A 94 80.298 4.524 -6.686 1.00 0.00 C ATOM 1489 C LEU A 94 79.759 4.091 -5.332 1.00 0.00 C ATOM 1490 O LEU A 94 79.460 2.917 -5.113 1.00 0.00 O ATOM 1491 CB LEU A 94 81.826 4.593 -6.607 1.00 0.00 C ATOM 1492 CG LEU A 94 82.391 3.253 -6.130 1.00 0.00 C ATOM 1493 CD1 LEU A 94 81.841 2.123 -6.994 1.00 0.00 C ATOM 1494 CD2 LEU A 94 83.917 3.276 -6.238 1.00 0.00 C ATOM 0 H LEU A 94 80.477 6.548 -7.208 1.00 0.00 H new ATOM 0 HA LEU A 94 79.992 3.803 -7.444 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.237 4.842 -7.585 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.127 5.387 -5.923 1.00 0.00 H new ATOM 0 HG LEU A 94 82.098 3.089 -5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.247 1.172 -6.650 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.754 2.103 -6.918 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.129 2.286 -8.033 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.320 2.322 -5.898 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.206 3.443 -7.276 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.314 4.079 -5.617 1.00 0.00 H new ATOM 1506 N ILE A 95 79.655 5.049 -4.425 1.00 0.00 N ATOM 1507 CA ILE A 95 79.171 4.765 -3.087 1.00 0.00 C ATOM 1508 C ILE A 95 77.672 4.513 -3.108 1.00 0.00 C ATOM 1509 O ILE A 95 77.146 3.757 -2.291 1.00 0.00 O ATOM 1510 CB ILE A 95 79.506 5.933 -2.156 1.00 0.00 C ATOM 1511 CG1 ILE A 95 81.013 5.903 -1.869 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.716 5.798 -0.848 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.497 7.279 -1.410 1.00 0.00 C ATOM 0 H ILE A 95 79.898 6.025 -4.591 1.00 0.00 H new ATOM 0 HA ILE A 95 79.663 3.866 -2.715 1.00 0.00 H new ATOM 0 HB ILE A 95 79.236 6.879 -2.625 1.00 0.00 H new ATOM 0 HG12 ILE A 95 81.228 5.160 -1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.554 5.601 -2.766 1.00 0.00 H new ATOM 0 HG21 ILE A 95 78.958 6.632 -0.189 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.648 5.806 -1.066 1.00 0.00 H new ATOM 0 HG23 ILE A 95 78.980 4.860 -0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.568 7.240 -1.211 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.300 8.013 -2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 95 80.969 7.566 -0.501 1.00 0.00 H new ATOM 1525 N ALA A 96 76.992 5.135 -4.059 1.00 0.00 N ATOM 1526 CA ALA A 96 75.557 4.958 -4.191 1.00 0.00 C ATOM 1527 C ALA A 96 75.255 3.514 -4.567 1.00 0.00 C ATOM 1528 O ALA A 96 74.264 2.934 -4.119 1.00 0.00 O ATOM 1529 CB ALA A 96 75.014 5.902 -5.262 1.00 0.00 C ATOM 0 H ALA A 96 77.409 5.763 -4.746 1.00 0.00 H new ATOM 0 HA ALA A 96 75.075 5.189 -3.241 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.937 5.764 -5.356 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.225 6.933 -4.979 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.493 5.683 -6.217 1.00 0.00 H new ATOM 1535 N TYR A 97 76.132 2.929 -5.380 1.00 0.00 N ATOM 1536 CA TYR A 97 75.962 1.544 -5.793 1.00 0.00 C ATOM 1537 C TYR A 97 76.324 0.621 -4.638 1.00 0.00 C ATOM 1538 O TYR A 97 75.722 -0.436 -4.462 1.00 0.00 O ATOM 1539 CB TYR A 97 76.847 1.233 -7.004 1.00 0.00 C ATOM 1540 CG TYR A 97 76.923 -0.265 -7.204 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.880 -0.941 -7.848 1.00 0.00 C ATOM 1542 CD2 TYR A 97 78.036 -0.978 -6.741 1.00 0.00 C ATOM 1543 CE1 TYR A 97 75.949 -2.327 -8.028 1.00 0.00 C ATOM 1544 CE2 TYR A 97 78.105 -2.364 -6.922 1.00 0.00 C ATOM 1545 CZ TYR A 97 77.061 -3.038 -7.566 1.00 0.00 C ATOM 1546 OH TYR A 97 77.128 -4.406 -7.745 1.00 0.00 O ATOM 0 H TYR A 97 76.959 3.390 -5.761 1.00 0.00 H new ATOM 0 HA TYR A 97 74.921 1.385 -6.074 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.441 1.709 -7.896 1.00 0.00 H new ATOM 0 HB3 TYR A 97 77.846 1.641 -6.852 1.00 0.00 H new ATOM 0 HD1 TYR A 97 75.021 -0.392 -8.206 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.842 -0.458 -6.244 1.00 0.00 H new ATOM 0 HE1 TYR A 97 75.143 -2.848 -8.524 1.00 0.00 H new ATOM 0 HE2 TYR A 97 78.964 -2.913 -6.565 1.00 0.00 H new ATOM 0 HH TYR A 97 78.052 -4.665 -7.945 1.00 0.00 H new ATOM 1556 N LEU A 98 77.310 1.037 -3.848 1.00 0.00 N ATOM 1557 CA LEU A 98 77.742 0.249 -2.704 1.00 0.00 C ATOM 1558 C LEU A 98 76.584 0.074 -1.728 1.00 0.00 C ATOM 1559 O LEU A 98 76.323 -1.026 -1.246 1.00 0.00 O ATOM 1560 CB LEU A 98 78.894 0.958 -1.986 1.00 0.00 C ATOM 1561 CG LEU A 98 80.218 0.706 -2.722 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.271 1.710 -2.242 1.00 0.00 C ATOM 1563 CD2 LEU A 98 80.710 -0.718 -2.438 1.00 0.00 C ATOM 0 H LEU A 98 77.820 1.910 -3.980 1.00 0.00 H new ATOM 0 HA LEU A 98 78.076 -0.727 -3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 98 78.696 2.029 -1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 98 78.967 0.599 -0.959 1.00 0.00 H new ATOM 0 HG LEU A 98 80.058 0.826 -3.794 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.210 1.530 -2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 98 80.928 2.724 -2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 98 81.425 1.591 -1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 98 81.650 -0.890 -2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 98 80.865 -0.842 -1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 98 79.965 -1.436 -2.782 1.00 0.00 H new ATOM 1575 N LYS A 99 75.901 1.176 -1.435 1.00 0.00 N ATOM 1576 CA LYS A 99 74.777 1.152 -0.506 1.00 0.00 C ATOM 1577 C LYS A 99 73.688 0.193 -0.981 1.00 0.00 C ATOM 1578 O LYS A 99 73.248 -0.679 -0.231 1.00 0.00 O ATOM 1579 CB LYS A 99 74.192 2.559 -0.358 1.00 0.00 C ATOM 1580 CG LYS A 99 75.222 3.470 0.313 1.00 0.00 C ATOM 1581 CD LYS A 99 74.741 4.923 0.248 1.00 0.00 C ATOM 1582 CE LYS A 99 73.368 5.045 0.915 1.00 0.00 C ATOM 1583 NZ LYS A 99 73.138 6.460 1.322 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.106 2.095 -1.827 1.00 0.00 H new ATOM 0 HA LYS A 99 75.145 0.804 0.459 1.00 0.00 H new ATOM 0 HB2 LYS A 99 73.921 2.957 -1.336 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.279 2.524 0.236 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.367 3.170 1.351 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.187 3.373 -0.184 1.00 0.00 H new ATOM 0 HD2 LYS A 99 75.457 5.576 0.747 1.00 0.00 H new ATOM 0 HD3 LYS A 99 74.682 5.250 -0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 99 72.587 4.722 0.226 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.315 4.392 1.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 72.206 6.544 1.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 73.877 6.753 1.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 73.171 7.073 0.482 1.00 0.00 H new ATOM 1597 N LYS A 100 73.247 0.367 -2.222 1.00 0.00 N ATOM 1598 CA LYS A 100 72.195 -0.484 -2.773 1.00 0.00 C ATOM 1599 C LYS A 100 72.715 -1.891 -3.068 1.00 0.00 C ATOM 1600 O LYS A 100 71.942 -2.848 -3.107 1.00 0.00 O ATOM 1601 CB LYS A 100 71.648 0.137 -4.059 1.00 0.00 C ATOM 1602 CG LYS A 100 71.072 1.521 -3.753 1.00 0.00 C ATOM 1603 CD LYS A 100 70.656 2.202 -5.058 1.00 0.00 C ATOM 1604 CE LYS A 100 69.762 3.405 -4.744 1.00 0.00 C ATOM 1605 NZ LYS A 100 70.399 4.233 -3.682 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.596 1.081 -2.861 1.00 0.00 H new ATOM 0 HA LYS A 100 71.401 -0.561 -2.030 1.00 0.00 H new ATOM 0 HB2 LYS A 100 72.441 0.218 -4.802 1.00 0.00 H new ATOM 0 HB3 LYS A 100 70.876 -0.504 -4.485 1.00 0.00 H new ATOM 0 HG2 LYS A 100 70.213 1.430 -3.088 1.00 0.00 H new ATOM 0 HG3 LYS A 100 71.814 2.128 -3.234 1.00 0.00 H new ATOM 0 HD2 LYS A 100 71.539 2.526 -5.609 1.00 0.00 H new ATOM 0 HD3 LYS A 100 70.123 1.496 -5.695 1.00 0.00 H new ATOM 0 HE2 LYS A 100 69.609 4.002 -5.643 1.00 0.00 H new ATOM 0 HE3 LYS A 100 68.780 3.066 -4.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 69.973 5.182 -3.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 70.251 3.784 -2.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 71.419 4.313 -3.869 1.00 0.00 H new ATOM 1619 N ALA A 101 74.020 -2.010 -3.282 1.00 0.00 N ATOM 1620 CA ALA A 101 74.622 -3.308 -3.580 1.00 0.00 C ATOM 1621 C ALA A 101 74.969 -4.059 -2.301 1.00 0.00 C ATOM 1622 O ALA A 101 75.076 -5.285 -2.301 1.00 0.00 O ATOM 1623 CB ALA A 101 75.888 -3.115 -4.415 1.00 0.00 C ATOM 0 H ALA A 101 74.679 -1.232 -3.256 1.00 0.00 H new ATOM 0 HA ALA A 101 73.896 -3.896 -4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.331 -4.086 -4.633 1.00 0.00 H new ATOM 0 HB2 ALA A 101 75.635 -2.613 -5.349 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.602 -2.507 -3.859 1.00 0.00 H new ATOM 1629 N THR A 102 75.148 -3.319 -1.212 1.00 0.00 N ATOM 1630 CA THR A 102 75.488 -3.929 0.068 1.00 0.00 C ATOM 1631 C THR A 102 74.227 -4.163 0.885 1.00 0.00 C ATOM 1632 O THR A 102 74.280 -4.674 2.004 1.00 0.00 O ATOM 1633 CB THR A 102 76.441 -3.017 0.844 1.00 0.00 C ATOM 1634 OG1 THR A 102 75.884 -1.713 0.930 1.00 0.00 O ATOM 1635 CG2 THR A 102 77.788 -2.955 0.120 1.00 0.00 C ATOM 0 H THR A 102 75.064 -2.303 -1.190 1.00 0.00 H new ATOM 0 HA THR A 102 75.977 -4.885 -0.117 1.00 0.00 H new ATOM 0 HB THR A 102 76.588 -3.413 1.849 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.109 -1.207 0.121 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.468 -2.306 0.672 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.214 -3.956 0.057 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.643 -2.559 -0.885 1.00 0.00 H new ATOM 1643 N ASN A 103 73.093 -3.783 0.310 1.00 0.00 N ATOM 1644 CA ASN A 103 71.808 -3.947 0.977 1.00 0.00 C ATOM 1645 C ASN A 103 71.104 -5.198 0.464 1.00 0.00 C ATOM 1646 O ASN A 103 70.261 -5.775 1.150 1.00 0.00 O ATOM 1647 CB ASN A 103 70.936 -2.719 0.715 1.00 0.00 C ATOM 1648 CG ASN A 103 71.398 -1.558 1.585 1.00 0.00 C ATOM 1649 OD1 ASN A 103 70.605 -0.678 1.921 1.00 0.00 O ATOM 1650 ND2 ASN A 103 72.640 -1.505 1.973 1.00 0.00 N ATOM 0 H ASN A 103 73.037 -3.359 -0.616 1.00 0.00 H new ATOM 0 HA ASN A 103 71.975 -4.053 2.049 1.00 0.00 H new ATOM 0 HB2 ASN A 103 70.992 -2.441 -0.337 1.00 0.00 H new ATOM 0 HB3 ASN A 103 69.893 -2.951 0.928 1.00 0.00 H new ATOM 0 HD21 ASN A 103 72.959 -0.732 2.558 1.00 0.00 H new ATOM 0 HD22 ASN A 103 73.294 -2.236 1.692 1.00 0.00 H new ATOM 1657 N GLU A 104 71.462 -5.612 -0.747 1.00 0.00 N ATOM 1658 CA GLU A 104 70.863 -6.799 -1.348 1.00 0.00 C ATOM 1659 C GLU A 104 71.425 -8.063 -0.706 1.00 0.00 C ATOM 1660 O GLU A 104 71.102 -8.315 0.444 1.00 0.00 O ATOM 1661 CB GLU A 104 71.142 -6.820 -2.853 1.00 0.00 C ATOM 1662 CG GLU A 104 70.254 -5.790 -3.558 1.00 0.00 C ATOM 1663 CD GLU A 104 68.864 -6.371 -3.800 1.00 0.00 C ATOM 1664 OE1 GLU A 104 68.481 -7.268 -3.066 1.00 0.00 O ATOM 1665 OE2 GLU A 104 68.203 -5.912 -4.717 1.00 0.00 O1- ATOM 1666 OXT GLU A 104 72.172 -8.761 -1.373 1.00 0.00 O ATOM 0 H GLU A 104 72.159 -5.147 -1.329 1.00 0.00 H new ATOM 0 HA GLU A 104 69.787 -6.766 -1.180 1.00 0.00 H new ATOM 0 HB2 GLU A 104 72.192 -6.598 -3.041 1.00 0.00 H new ATOM 0 HB3 GLU A 104 70.950 -7.815 -3.254 1.00 0.00 H new ATOM 0 HG2 GLU A 104 70.178 -4.888 -2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 104 70.705 -5.499 -4.507 1.00 0.00 H new TER 1673 GLU A 104 HETATM 1674 FE HEC A 201 88.850 -2.691 -1.081 1.00 0.00 FE HETATM 1675 CHA HEC A 201 89.037 -3.216 2.255 1.00 0.00 C HETATM 1676 CHB HEC A 201 86.200 -0.640 -0.608 1.00 0.00 C HETATM 1677 CHC HEC A 201 88.781 -2.022 -4.395 1.00 0.00 C HETATM 1678 CHD HEC A 201 91.328 -4.939 -1.579 1.00 0.00 C HETATM 1679 NA HEC A 201 87.851 -2.058 0.478 1.00 0.00 N HETATM 1680 C1A HEC A 201 88.074 -2.351 1.805 1.00 0.00 C HETATM 1681 C2A HEC A 201 87.131 -1.680 2.662 1.00 0.00 C HETATM 1682 C3A HEC A 201 86.307 -0.976 1.852 1.00 0.00 C HETATM 1683 C4A HEC A 201 86.762 -1.213 0.504 1.00 0.00 C HETATM 1684 CMA HEC A 201 85.154 -0.127 2.272 1.00 0.00 C HETATM 1685 CAA HEC A 201 87.091 -1.731 4.148 1.00 0.00 C HETATM 1686 CBA HEC A 201 86.476 -3.026 4.673 1.00 0.00 C HETATM 1687 CGA HEC A 201 86.336 -2.956 6.183 1.00 0.00 C HETATM 1688 O1A HEC A 201 85.601 -3.764 6.727 1.00 0.00 O HETATM 1689 O2A HEC A 201 86.969 -2.101 6.775 1.00 0.00 O HETATM 1690 NB HEC A 201 87.746 -1.565 -2.242 1.00 0.00 N HETATM 1691 C1B HEC A 201 86.650 -0.804 -1.893 1.00 0.00 C HETATM 1692 C2B HEC A 201 86.056 -0.166 -3.040 1.00 0.00 C HETATM 1693 C3B HEC A 201 86.814 -0.516 -4.108 1.00 0.00 C HETATM 1694 C4B HEC A 201 87.851 -1.390 -3.605 1.00 0.00 C HETATM 1695 CMB HEC A 201 84.797 0.637 -3.057 1.00 0.00 C HETATM 1696 CAB HEC A 201 86.631 -0.060 -5.524 1.00 0.00 C HETATM 1697 CBB HEC A 201 86.900 1.439 -5.709 1.00 0.00 C HETATM 1698 NC HEC A 201 89.847 -3.325 -2.641 1.00 0.00 N HETATM 1699 C1C HEC A 201 89.709 -2.931 -3.953 1.00 0.00 C HETATM 1700 C2C HEC A 201 90.609 -3.649 -4.821 1.00 0.00 C HETATM 1701 C3C HEC A 201 91.291 -4.515 -4.036 1.00 0.00 C HETATM 1702 C4C HEC A 201 90.827 -4.293 -2.684 1.00 0.00 C HETATM 1703 CMC HEC A 201 90.775 -3.454 -6.290 1.00 0.00 C HETATM 1704 CAC HEC A 201 92.248 -5.571 -4.496 1.00 0.00 C HETATM 1705 CBC HEC A 201 93.443 -5.004 -5.280 1.00 0.00 C HETATM 1706 ND HEC A 201 89.944 -3.823 0.081 1.00 0.00 N HETATM 1707 C1D HEC A 201 90.925 -4.719 -0.286 1.00 0.00 C HETATM 1708 C2D HEC A 201 91.503 -5.372 0.862 1.00 0.00 C HETATM 1709 C3D HEC A 201 90.872 -4.869 1.949 1.00 0.00 C HETATM 1710 C4D HEC A 201 89.909 -3.913 1.456 1.00 0.00 C HETATM 1711 CMD HEC A 201 92.586 -6.397 0.853 1.00 0.00 C HETATM 1712 CAD HEC A 201 91.125 -5.231 3.377 1.00 0.00 C HETATM 1713 CBD HEC A 201 92.227 -4.372 4.026 1.00 0.00 C HETATM 1714 CGD HEC A 201 91.685 -3.640 5.250 1.00 0.00 C HETATM 1715 O1D HEC A 201 90.579 -3.128 5.170 1.00 0.00 O HETATM 1716 O2D HEC A 201 92.385 -3.598 6.248 1.00 0.00 O HETATM 0 HMD3 HEC A 201 92.261 -7.265 0.279 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 93.482 -5.976 0.397 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 92.808 -6.701 1.876 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 89.827 -3.645 -6.792 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 91.090 -2.429 -6.488 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 91.530 -4.145 -6.666 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 83.965 0.016 -2.724 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 84.902 1.492 -2.389 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 84.604 0.990 -4.070 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 84.426 -0.739 2.804 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 85.508 0.669 2.928 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 84.685 0.311 1.391 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 93.066 -5.005 4.316 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 92.607 -3.651 3.303 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 93.082 -4.479 -6.164 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 93.997 -4.310 -4.647 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 94.098 -5.820 -5.585 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 86.214 2.012 -5.085 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 87.927 1.663 -5.419 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 86.751 1.709 -6.755 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 85.500 -3.187 4.216 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 87.102 -3.874 4.396 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 90.201 -5.118 3.945 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 91.408 -6.282 3.436 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 88.103 -1.629 4.539 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 86.518 -0.883 4.522 1.00 0.00 H new HETATM 0 HHD HEC A 201 92.106 -5.684 -1.743 1.00 0.00 H new HETATM 0 HHC HEC A 201 88.782 -1.782 -5.458 1.00 0.00 H new HETATM 0 HHB HEC A 201 85.327 -0.004 -0.459 1.00 0.00 H new HETATM 0 HHA HEC A 201 89.117 -3.362 3.332 1.00 0.00 H new HETATM 1749 O HOH A 301 82.903 3.127 -0.911 1.00 0.00 O HETATM 1752 O HOH A 302 86.140 5.681 6.086 1.00 0.00 O HETATM 1755 O HOH A 303 82.529 -6.117 5.705 1.00 0.00 O HETATM 1758 O HOH A 304 82.717 -9.982 -0.032 1.00 0.00 O