USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=33 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 -104:sc= 0.637 USER MOD Set 1.2: A 103 ASN :FLIP amide:sc= -0.202 F(o=-2.9!,f=0.44) USER MOD Set 2.1: A 52 ASN : amide:sc= -3.86! C(o=-3.9!,f=-6.1!) USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= -0.0758 USER MOD Set 3.1: A 39 LYS NZ :NH3+ -158:sc= 1.17 (180deg=-0.633) USER MOD Set 3.2: A 58 THR OG1 : rot 180:sc= 0.999 USER MOD Set 4.1: A 31 ASN : amide:sc= -5 K(o=-12,f=-23!) USER MOD Set 4.2: A 33 HIS : no HD1:sc= -7.44! C(o=-12!,f=-21!) USER MOD Single : A 1 GLY N :NH3+ 157:sc= 0.335 (180deg=0.157) USER MOD Single : A 5 LYS NZ :NH3+ -161:sc= 0.0909 (180deg=0.0324) USER MOD Single : A 7 LYS NZ :NH3+ -170:sc= -1.6 (180deg=-2.18!) USER MOD Single : A 8 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.177) USER MOD Single : A 12 GLN : amide:sc= -1.98! C(o=-2!,f=-2.5!) USER MOD Single : A 13 LYS NZ :NH3+ 143:sc= 0.0011 (180deg=0) USER MOD Single : A 16 GLN :FLIP amide:sc= 0.77 F(o=0,f=0.77) USER MOD Single : A 19 THR OG1 : rot 78:sc= 1.37 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= 0.319 K(o=0.32,f=-5.2!) 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 40 THR OG1 : rot 120:sc= -0.776 USER MOD Single : A 42 GLN :FLIP amide:sc= 0.235 F(o=-1.4!,f=0.23) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -93:sc= -2.07 USER MOD Single : A 49 THR OG1 : rot 142:sc= -0.508 USER MOD Single : A 53 LYS NZ :NH3+ -160:sc= -0.0149 (180deg=-0.197) USER MOD Single : A 54 ASN :FLIP amide:sc= -4.85! C(o=-9.9!,f=-4.8!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 81:sc= -2.24! USER MOD Single : A 65 MET CE :methyl 174:sc= -0.489 (180deg=-0.654) USER MOD Single : A 67 TYR OH : rot -153:sc= 0.603 USER MOD Single : A 70 ASN : amide:sc= -4.1! C(o=-4.1!,f=-6.6!) USER MOD Single : A 72 LYS NZ :NH3+ -152:sc= -1.26 (180deg=-3.57!) USER MOD Single : A 73 LYS NZ :NH3+ 158:sc= -0.0283 (180deg=-0.251) USER MOD Single : A 74 TYR OH : rot 24:sc= 0.625 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -171:sc= -0.518 (180deg=-0.922) USER MOD Single : A 86 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0471) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 153:sc= -0.116 (180deg=-0.721) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 145:sc= 0.169 USER MOD Single : A 99 LYS NZ :NH3+ -157:sc= 0.665 (180deg=0.016!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 75.100 11.268 -7.500 1.00 0.00 N ATOM 2 CA GLY A 1 74.450 10.029 -6.983 1.00 0.00 C ATOM 3 C GLY A 1 73.792 9.280 -8.137 1.00 0.00 C ATOM 4 O GLY A 1 72.610 9.473 -8.421 1.00 0.00 O ATOM 0 H1 GLY A 1 75.201 11.956 -6.727 1.00 0.00 H new ATOM 0 H2 GLY A 1 76.040 11.034 -7.880 1.00 0.00 H new ATOM 0 H3 GLY A 1 74.514 11.679 -8.254 1.00 0.00 H new ATOM 0 HA2 GLY A 1 75.190 9.393 -6.498 1.00 0.00 H new ATOM 0 HA3 GLY A 1 73.705 10.284 -6.229 1.00 0.00 H new ATOM 10 N ASP A 2 74.566 8.423 -8.798 1.00 0.00 N ATOM 11 CA ASP A 2 74.054 7.645 -9.922 1.00 0.00 C ATOM 12 C ASP A 2 74.442 6.180 -9.782 1.00 0.00 C ATOM 13 O ASP A 2 75.484 5.753 -10.280 1.00 0.00 O ATOM 14 CB ASP A 2 74.608 8.195 -11.237 1.00 0.00 C ATOM 15 CG ASP A 2 74.155 9.638 -11.433 1.00 0.00 C ATOM 16 OD1 ASP A 2 74.198 10.388 -10.472 1.00 0.00 O ATOM 17 OD2 ASP A 2 73.773 9.973 -12.543 1.00 0.00 O1- ATOM 0 H ASP A 2 75.546 8.250 -8.576 1.00 0.00 H new ATOM 0 HA ASP A 2 72.967 7.724 -9.924 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.697 8.145 -11.231 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.265 7.582 -12.070 1.00 0.00 H new ATOM 22 N VAL A 3 73.595 5.413 -9.106 1.00 0.00 N ATOM 23 CA VAL A 3 73.853 3.995 -8.910 1.00 0.00 C ATOM 24 C VAL A 3 74.205 3.331 -10.238 1.00 0.00 C ATOM 25 O VAL A 3 74.758 2.232 -10.265 1.00 0.00 O ATOM 26 CB VAL A 3 72.617 3.323 -8.305 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.378 3.708 -9.117 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.792 1.801 -8.332 1.00 0.00 C ATOM 0 H VAL A 3 72.728 5.749 -8.687 1.00 0.00 H new ATOM 0 HA VAL A 3 74.696 3.882 -8.228 1.00 0.00 H new ATOM 0 HB VAL A 3 72.495 3.654 -7.274 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.498 3.230 -8.687 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.250 4.790 -9.095 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.502 3.378 -10.149 1.00 0.00 H new ATOM 0 HG21 VAL A 3 71.911 1.326 -7.901 1.00 0.00 H new ATOM 0 HG22 VAL A 3 72.917 1.467 -9.362 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.673 1.526 -7.752 1.00 0.00 H new ATOM 38 N GLU A 4 73.880 4.005 -11.338 1.00 0.00 N ATOM 39 CA GLU A 4 74.172 3.462 -12.660 1.00 0.00 C ATOM 40 C GLU A 4 75.668 3.525 -12.943 1.00 0.00 C ATOM 41 O GLU A 4 76.311 2.500 -13.179 1.00 0.00 O ATOM 42 CB GLU A 4 73.412 4.250 -13.729 1.00 0.00 C ATOM 43 CG GLU A 4 71.916 3.951 -13.618 1.00 0.00 C ATOM 44 CD GLU A 4 71.123 4.930 -14.477 1.00 0.00 C ATOM 45 OE1 GLU A 4 71.327 4.930 -15.680 1.00 0.00 O1- ATOM 46 OE2 GLU A 4 70.325 5.665 -13.920 1.00 0.00 O ATOM 0 H GLU A 4 73.421 4.916 -11.341 1.00 0.00 H new ATOM 0 HA GLU A 4 73.852 2.420 -12.685 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.590 5.318 -13.604 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.775 3.980 -14.721 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.716 2.929 -13.939 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.598 4.027 -12.578 1.00 0.00 H new ATOM 53 N LYS A 5 76.223 4.731 -12.904 1.00 0.00 N ATOM 54 CA LYS A 5 77.647 4.902 -13.145 1.00 0.00 C ATOM 55 C LYS A 5 78.433 4.401 -11.946 1.00 0.00 C ATOM 56 O LYS A 5 79.625 4.109 -12.045 1.00 0.00 O ATOM 57 CB LYS A 5 77.969 6.376 -13.399 1.00 0.00 C ATOM 58 CG LYS A 5 77.476 6.773 -14.794 1.00 0.00 C ATOM 59 CD LYS A 5 77.508 8.301 -14.943 1.00 0.00 C ATOM 60 CE LYS A 5 76.183 8.897 -14.456 1.00 0.00 C ATOM 61 NZ LYS A 5 76.349 10.363 -14.239 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.714 5.594 -12.710 1.00 0.00 H new ATOM 0 HA LYS A 5 77.928 4.326 -14.027 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.492 6.999 -12.642 1.00 0.00 H new ATOM 0 HB3 LYS A 5 79.043 6.544 -13.320 1.00 0.00 H new ATOM 0 HG2 LYS A 5 78.103 6.311 -15.556 1.00 0.00 H new ATOM 0 HG3 LYS A 5 76.462 6.405 -14.950 1.00 0.00 H new ATOM 0 HD2 LYS A 5 78.337 8.714 -14.368 1.00 0.00 H new ATOM 0 HD3 LYS A 5 77.677 8.571 -15.985 1.00 0.00 H new ATOM 0 HE2 LYS A 5 75.398 8.713 -15.189 1.00 0.00 H new ATOM 0 HE3 LYS A 5 75.873 8.414 -13.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 75.588 10.711 -13.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 77.270 10.546 -13.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 76.305 10.856 -15.153 1.00 0.00 H new ATOM 75 N GLY A 6 77.748 4.282 -10.814 1.00 0.00 N ATOM 76 CA GLY A 6 78.386 3.789 -9.605 1.00 0.00 C ATOM 77 C GLY A 6 78.699 2.312 -9.769 1.00 0.00 C ATOM 78 O GLY A 6 79.735 1.824 -9.315 1.00 0.00 O ATOM 0 H GLY A 6 76.761 4.518 -10.711 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.302 4.347 -9.410 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.731 3.941 -8.747 1.00 0.00 H new ATOM 82 N LYS A 7 77.795 1.611 -10.443 1.00 0.00 N ATOM 83 CA LYS A 7 77.976 0.191 -10.691 1.00 0.00 C ATOM 84 C LYS A 7 79.114 -0.014 -11.682 1.00 0.00 C ATOM 85 O LYS A 7 79.949 -0.898 -11.506 1.00 0.00 O ATOM 86 CB LYS A 7 76.685 -0.414 -11.255 1.00 0.00 C ATOM 87 CG LYS A 7 76.800 -1.949 -11.315 1.00 0.00 C ATOM 88 CD LYS A 7 77.198 -2.403 -12.728 1.00 0.00 C ATOM 89 CE LYS A 7 76.085 -2.066 -13.732 1.00 0.00 C ATOM 90 NZ LYS A 7 74.780 -1.940 -13.023 1.00 0.00 N1+ ATOM 0 H LYS A 7 76.934 2.003 -10.825 1.00 0.00 H new ATOM 0 HA LYS A 7 78.219 -0.306 -9.752 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.838 -0.129 -10.631 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.494 -0.017 -12.252 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.541 -2.293 -10.594 1.00 0.00 H new ATOM 0 HG3 LYS A 7 75.849 -2.402 -11.035 1.00 0.00 H new ATOM 0 HD2 LYS A 7 78.126 -1.914 -13.026 1.00 0.00 H new ATOM 0 HD3 LYS A 7 77.388 -3.476 -12.732 1.00 0.00 H new ATOM 0 HE2 LYS A 7 76.319 -1.135 -14.248 1.00 0.00 H new ATOM 0 HE3 LYS A 7 76.022 -2.845 -14.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 74.010 -1.881 -13.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 74.634 -2.771 -12.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 74.784 -1.080 -12.439 1.00 0.00 H new ATOM 104 N LYS A 8 79.142 0.814 -12.726 1.00 0.00 N ATOM 105 CA LYS A 8 80.188 0.710 -13.736 1.00 0.00 C ATOM 106 C LYS A 8 81.568 0.842 -13.099 1.00 0.00 C ATOM 107 O LYS A 8 82.466 0.034 -13.350 1.00 0.00 O ATOM 108 CB LYS A 8 80.004 1.804 -14.793 1.00 0.00 C ATOM 109 CG LYS A 8 81.158 1.749 -15.809 1.00 0.00 C ATOM 110 CD LYS A 8 82.206 2.822 -15.477 1.00 0.00 C ATOM 111 CE LYS A 8 81.768 4.170 -16.056 1.00 0.00 C ATOM 112 NZ LYS A 8 82.487 5.268 -15.349 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.460 1.555 -12.891 1.00 0.00 H new ATOM 0 HA LYS A 8 80.113 -0.269 -14.208 1.00 0.00 H new ATOM 0 HB2 LYS A 8 79.051 1.671 -15.305 1.00 0.00 H new ATOM 0 HB3 LYS A 8 79.975 2.783 -14.315 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.620 0.762 -15.793 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.773 1.905 -16.817 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.328 2.902 -14.397 1.00 0.00 H new ATOM 0 HD3 LYS A 8 83.175 2.537 -15.887 1.00 0.00 H new ATOM 0 HE2 LYS A 8 81.984 4.207 -17.124 1.00 0.00 H new ATOM 0 HE3 LYS A 8 80.691 4.294 -15.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 82.409 6.146 -15.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 82.065 5.411 -14.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 83.490 5.014 -15.243 1.00 0.00 H new ATOM 126 N ILE A 9 81.732 1.867 -12.273 1.00 0.00 N ATOM 127 CA ILE A 9 83.004 2.099 -11.610 1.00 0.00 C ATOM 128 C ILE A 9 83.319 0.972 -10.636 1.00 0.00 C ATOM 129 O ILE A 9 84.478 0.719 -10.328 1.00 0.00 O ATOM 130 CB ILE A 9 82.966 3.426 -10.853 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.712 4.569 -11.841 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.306 3.649 -10.148 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.268 5.816 -11.077 1.00 0.00 C ATOM 0 H ILE A 9 81.004 2.546 -12.048 1.00 0.00 H new ATOM 0 HA ILE A 9 83.782 2.134 -12.372 1.00 0.00 H new ATOM 0 HB ILE A 9 82.166 3.400 -10.113 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.618 4.781 -12.409 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.946 4.278 -12.560 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.280 4.595 -9.608 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.488 2.835 -9.446 1.00 0.00 H new ATOM 0 HG23 ILE A 9 85.106 3.675 -10.888 1.00 0.00 H new ATOM 0 HD11 ILE A 9 82.088 6.629 -11.781 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.351 5.600 -10.529 1.00 0.00 H new ATOM 0 HD13 ILE A 9 83.049 6.110 -10.375 1.00 0.00 H new ATOM 145 N PHE A 10 82.283 0.307 -10.143 1.00 0.00 N ATOM 146 CA PHE A 10 82.480 -0.777 -9.186 1.00 0.00 C ATOM 147 C PHE A 10 82.951 -2.059 -9.873 1.00 0.00 C ATOM 148 O PHE A 10 83.946 -2.656 -9.467 1.00 0.00 O ATOM 149 CB PHE A 10 81.170 -1.052 -8.435 1.00 0.00 C ATOM 150 CG PHE A 10 81.167 -2.481 -7.946 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.668 -3.498 -8.767 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.681 -2.789 -6.685 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.685 -4.826 -8.326 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.697 -4.117 -6.241 1.00 0.00 C ATOM 155 CZ PHE A 10 81.200 -5.136 -7.064 1.00 0.00 C ATOM 0 H PHE A 10 81.310 0.494 -10.385 1.00 0.00 H new ATOM 0 HA PHE A 10 83.254 -0.464 -8.485 1.00 0.00 H new ATOM 0 HB2 PHE A 10 81.069 -0.367 -7.593 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.317 -0.878 -9.091 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.269 -3.258 -9.742 1.00 0.00 H new ATOM 0 HD2 PHE A 10 82.066 -2.003 -6.052 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.300 -5.611 -8.960 1.00 0.00 H new ATOM 0 HE2 PHE A 10 82.092 -4.356 -5.265 1.00 0.00 H new ATOM 0 HZ PHE A 10 81.215 -6.161 -6.723 1.00 0.00 H new ATOM 165 N VAL A 11 82.219 -2.485 -10.898 1.00 0.00 N ATOM 166 CA VAL A 11 82.559 -3.712 -11.614 1.00 0.00 C ATOM 167 C VAL A 11 83.992 -3.674 -12.117 1.00 0.00 C ATOM 168 O VAL A 11 84.634 -4.713 -12.271 1.00 0.00 O ATOM 169 CB VAL A 11 81.619 -3.914 -12.802 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.192 -4.109 -12.298 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.669 -2.686 -13.708 1.00 0.00 C ATOM 0 H VAL A 11 81.392 -2.003 -11.250 1.00 0.00 H new ATOM 0 HA VAL A 11 82.451 -4.541 -10.915 1.00 0.00 H new ATOM 0 HB VAL A 11 81.932 -4.795 -13.362 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.523 -4.253 -13.146 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.151 -4.985 -11.651 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.881 -3.228 -11.736 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.998 -2.831 -14.555 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.358 -1.806 -13.145 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.687 -2.543 -14.071 1.00 0.00 H new ATOM 181 N GLN A 12 84.481 -2.478 -12.402 1.00 0.00 N ATOM 182 CA GLN A 12 85.836 -2.336 -12.922 1.00 0.00 C ATOM 183 C GLN A 12 86.857 -2.011 -11.827 1.00 0.00 C ATOM 184 O GLN A 12 88.045 -2.291 -11.992 1.00 0.00 O ATOM 185 CB GLN A 12 85.867 -1.242 -13.986 1.00 0.00 C ATOM 186 CG GLN A 12 85.629 0.122 -13.339 1.00 0.00 C ATOM 187 CD GLN A 12 85.499 1.181 -14.425 1.00 0.00 C ATOM 188 OE1 GLN A 12 85.251 2.351 -14.131 1.00 0.00 O ATOM 189 NE2 GLN A 12 85.659 0.838 -15.673 1.00 0.00 N ATOM 0 H GLN A 12 83.971 -1.602 -12.285 1.00 0.00 H new ATOM 0 HA GLN A 12 86.116 -3.297 -13.354 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.829 -1.248 -14.498 1.00 0.00 H new ATOM 0 HB3 GLN A 12 85.104 -1.434 -14.740 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.725 0.096 -12.731 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.454 0.369 -12.672 1.00 0.00 H new ATOM 0 HE21 GLN A 12 85.864 -0.132 -15.913 1.00 0.00 H new ATOM 0 HE22 GLN A 12 85.579 1.540 -16.409 1.00 0.00 H new ATOM 198 N LYS A 13 86.416 -1.392 -10.730 1.00 0.00 N ATOM 199 CA LYS A 13 87.355 -1.018 -9.663 1.00 0.00 C ATOM 200 C LYS A 13 87.345 -1.968 -8.460 1.00 0.00 C ATOM 201 O LYS A 13 88.367 -2.574 -8.142 1.00 0.00 O ATOM 202 CB LYS A 13 87.061 0.404 -9.171 1.00 0.00 C ATOM 203 CG LYS A 13 87.379 1.424 -10.280 1.00 0.00 C ATOM 204 CD LYS A 13 87.979 2.691 -9.666 1.00 0.00 C ATOM 205 CE LYS A 13 88.432 3.630 -10.783 1.00 0.00 C ATOM 206 NZ LYS A 13 89.002 4.872 -10.190 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.442 -1.143 -10.556 1.00 0.00 H new ATOM 0 HA LYS A 13 88.346 -1.081 -10.112 1.00 0.00 H new ATOM 0 HB2 LYS A 13 86.014 0.487 -8.879 1.00 0.00 H new ATOM 0 HB3 LYS A 13 87.657 0.621 -8.285 1.00 0.00 H new ATOM 0 HG2 LYS A 13 88.077 0.990 -10.996 1.00 0.00 H new ATOM 0 HG3 LYS A 13 86.471 1.671 -10.830 1.00 0.00 H new ATOM 0 HD2 LYS A 13 87.241 3.187 -9.035 1.00 0.00 H new ATOM 0 HD3 LYS A 13 88.824 2.434 -9.027 1.00 0.00 H new ATOM 0 HE2 LYS A 13 89.178 3.137 -11.406 1.00 0.00 H new ATOM 0 HE3 LYS A 13 87.589 3.877 -11.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 89.810 5.191 -10.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 88.274 5.615 -10.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 89.321 4.679 -9.219 1.00 0.00 H new ATOM 220 N CYS A 14 86.221 -2.042 -7.750 1.00 0.00 N ATOM 221 CA CYS A 14 86.150 -2.864 -6.534 1.00 0.00 C ATOM 222 C CYS A 14 85.855 -4.341 -6.798 1.00 0.00 C ATOM 223 O CYS A 14 86.354 -5.205 -6.076 1.00 0.00 O ATOM 224 CB CYS A 14 85.094 -2.291 -5.586 1.00 0.00 C ATOM 225 SG CYS A 14 85.015 -0.484 -5.757 1.00 0.00 S ATOM 0 H CYS A 14 85.358 -1.553 -7.987 1.00 0.00 H new ATOM 0 HA CYS A 14 87.141 -2.826 -6.082 1.00 0.00 H new ATOM 0 HB2 CYS A 14 84.120 -2.728 -5.807 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.336 -2.556 -4.557 1.00 0.00 H new ATOM 230 N ALA A 15 85.048 -4.643 -7.801 1.00 0.00 N ATOM 231 CA ALA A 15 84.717 -6.038 -8.082 1.00 0.00 C ATOM 232 C ALA A 15 85.980 -6.897 -8.108 1.00 0.00 C ATOM 233 O ALA A 15 85.931 -8.098 -7.840 1.00 0.00 O ATOM 234 CB ALA A 15 83.993 -6.147 -9.424 1.00 0.00 C ATOM 0 H ALA A 15 84.616 -3.961 -8.425 1.00 0.00 H new ATOM 0 HA ALA A 15 84.063 -6.401 -7.289 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.751 -7.191 -9.623 1.00 0.00 H new ATOM 0 HB2 ALA A 15 83.074 -5.562 -9.390 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.637 -5.766 -10.217 1.00 0.00 H new ATOM 240 N GLN A 16 87.105 -6.275 -8.434 1.00 0.00 N ATOM 241 CA GLN A 16 88.374 -6.991 -8.500 1.00 0.00 C ATOM 242 C GLN A 16 88.592 -7.872 -7.268 1.00 0.00 C ATOM 243 O GLN A 16 88.664 -9.095 -7.385 1.00 0.00 O ATOM 244 CB GLN A 16 89.527 -5.995 -8.622 1.00 0.00 C ATOM 245 CG GLN A 16 89.396 -5.222 -9.936 1.00 0.00 C ATOM 246 CD GLN A 16 90.664 -4.417 -10.196 1.00 0.00 C ATOM 247 OE1 GLN A 16 91.722 -5.019 -10.664 1.00 0.00 O flip ATOM 248 NE2 GLN A 16 90.692 -3.208 -9.965 1.00 0.00 N flip ATOM 0 H GLN A 16 87.166 -5.281 -8.656 1.00 0.00 H new ATOM 0 HA GLN A 16 88.344 -7.637 -9.378 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.516 -5.304 -7.779 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.481 -6.521 -8.591 1.00 0.00 H new ATOM 0 HG2 GLN A 16 89.220 -5.915 -10.759 1.00 0.00 H new ATOM 0 HG3 GLN A 16 88.535 -4.555 -9.891 1.00 0.00 H new ATOM 0 HE21 GLN A 16 89.863 -2.739 -9.599 1.00 0.00 H new ATOM 0 HE22 GLN A 16 91.544 -2.675 -10.140 1.00 0.00 H new ATOM 257 N CYS A 17 88.715 -7.250 -6.093 1.00 0.00 N ATOM 258 CA CYS A 17 88.949 -8.008 -4.858 1.00 0.00 C ATOM 259 C CYS A 17 87.827 -7.791 -3.837 1.00 0.00 C ATOM 260 O CYS A 17 88.095 -7.556 -2.660 1.00 0.00 O ATOM 261 CB CYS A 17 90.296 -7.592 -4.235 1.00 0.00 C ATOM 262 SG CYS A 17 91.323 -6.764 -5.479 1.00 0.00 S ATOM 0 H CYS A 17 88.658 -6.239 -5.969 1.00 0.00 H new ATOM 0 HA CYS A 17 88.969 -9.066 -5.119 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.125 -6.925 -3.390 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.814 -8.470 -3.849 1.00 0.00 H new ATOM 267 N HIS A 18 86.574 -7.886 -4.278 1.00 0.00 N ATOM 268 CA HIS A 18 85.444 -7.707 -3.362 1.00 0.00 C ATOM 269 C HIS A 18 84.198 -8.425 -3.877 1.00 0.00 C ATOM 270 O HIS A 18 84.249 -9.144 -4.876 1.00 0.00 O ATOM 271 CB HIS A 18 85.136 -6.218 -3.181 1.00 0.00 C ATOM 272 CG HIS A 18 86.141 -5.591 -2.251 1.00 0.00 C ATOM 273 ND1 HIS A 18 86.754 -6.293 -1.221 1.00 0.00 N ATOM 274 CD2 HIS A 18 86.647 -4.320 -2.187 1.00 0.00 C ATOM 275 CE1 HIS A 18 87.588 -5.442 -0.591 1.00 0.00 C ATOM 276 NE2 HIS A 18 87.557 -4.227 -1.142 1.00 0.00 N ATOM 0 H HIS A 18 86.316 -8.082 -5.245 1.00 0.00 H new ATOM 0 HA HIS A 18 85.724 -8.140 -2.402 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.159 -5.714 -4.147 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.130 -6.093 -2.780 1.00 0.00 H new ATOM 0 HD1 HIS A 18 86.601 -7.273 -0.985 1.00 0.00 H new ATOM 0 HD2 HIS A 18 86.378 -3.511 -2.850 1.00 0.00 H new ATOM 0 HE1 HIS A 18 88.204 -5.710 0.254 1.00 0.00 H new ATOM 284 N THR A 19 83.080 -8.227 -3.177 1.00 0.00 N ATOM 285 CA THR A 19 81.818 -8.860 -3.554 1.00 0.00 C ATOM 286 C THR A 19 80.652 -7.892 -3.343 1.00 0.00 C ATOM 287 O THR A 19 79.707 -7.861 -4.131 1.00 0.00 O ATOM 288 CB THR A 19 81.610 -10.123 -2.704 1.00 0.00 C ATOM 289 OG1 THR A 19 82.645 -10.209 -1.739 1.00 0.00 O ATOM 290 CG2 THR A 19 81.645 -11.365 -3.595 1.00 0.00 C ATOM 0 H THR A 19 83.024 -7.635 -2.348 1.00 0.00 H new ATOM 0 HA THR A 19 81.856 -9.131 -4.609 1.00 0.00 H new ATOM 0 HB THR A 19 80.641 -10.067 -2.208 1.00 0.00 H new ATOM 0 HG1 THR A 19 82.456 -9.592 -1.001 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.497 -12.255 -2.984 1.00 0.00 H new ATOM 0 HG22 THR A 19 80.852 -11.300 -4.341 1.00 0.00 H new ATOM 0 HG23 THR A 19 82.611 -11.426 -4.097 1.00 0.00 H new ATOM 298 N VAL A 20 80.731 -7.110 -2.272 1.00 0.00 N ATOM 299 CA VAL A 20 79.690 -6.137 -1.947 1.00 0.00 C ATOM 300 C VAL A 20 78.295 -6.716 -2.164 1.00 0.00 C ATOM 301 O VAL A 20 77.358 -5.982 -2.471 1.00 0.00 O ATOM 302 CB VAL A 20 79.854 -4.869 -2.792 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.275 -4.322 -2.634 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.600 -5.185 -4.264 1.00 0.00 C ATOM 0 H VAL A 20 81.507 -7.130 -1.611 1.00 0.00 H new ATOM 0 HA VAL A 20 79.799 -5.886 -0.892 1.00 0.00 H new ATOM 0 HB VAL A 20 79.134 -4.125 -2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.387 -3.421 -3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.459 -4.083 -1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 20 81.993 -5.072 -2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.719 -4.278 -4.857 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.313 -5.936 -4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.586 -5.567 -4.384 1.00 0.00 H new ATOM 314 N GLU A 21 78.156 -8.029 -2.000 1.00 0.00 N ATOM 315 CA GLU A 21 76.858 -8.676 -2.180 1.00 0.00 C ATOM 316 C GLU A 21 76.500 -9.509 -0.951 1.00 0.00 C ATOM 317 O GLU A 21 77.147 -10.513 -0.653 1.00 0.00 O ATOM 318 CB GLU A 21 76.874 -9.554 -3.438 1.00 0.00 C ATOM 319 CG GLU A 21 77.630 -10.859 -3.168 1.00 0.00 C ATOM 320 CD GLU A 21 78.101 -11.478 -4.481 1.00 0.00 C ATOM 321 OE1 GLU A 21 77.861 -10.880 -5.516 1.00 0.00 O ATOM 322 OE2 GLU A 21 78.694 -12.543 -4.431 1.00 0.00 O1- ATOM 0 H GLU A 21 78.916 -8.660 -1.746 1.00 0.00 H new ATOM 0 HA GLU A 21 76.098 -7.904 -2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 21 75.853 -9.775 -3.748 1.00 0.00 H new ATOM 0 HB3 GLU A 21 77.347 -9.015 -4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 21 78.486 -10.665 -2.522 1.00 0.00 H new ATOM 0 HG3 GLU A 21 76.984 -11.559 -2.639 1.00 0.00 H new ATOM 329 N LYS A 22 75.468 -9.075 -0.237 1.00 0.00 N ATOM 330 CA LYS A 22 75.031 -9.780 0.963 1.00 0.00 C ATOM 331 C LYS A 22 74.826 -11.264 0.665 1.00 0.00 C ATOM 332 O LYS A 22 74.071 -11.627 -0.237 1.00 0.00 O ATOM 333 CB LYS A 22 73.718 -9.168 1.476 1.00 0.00 C ATOM 334 CG LYS A 22 74.004 -8.186 2.621 1.00 0.00 C ATOM 335 CD LYS A 22 74.181 -8.954 3.939 1.00 0.00 C ATOM 336 CE LYS A 22 72.813 -9.218 4.576 1.00 0.00 C ATOM 337 NZ LYS A 22 72.998 -9.940 5.868 1.00 0.00 N1+ ATOM 0 H LYS A 22 74.921 -8.245 -0.465 1.00 0.00 H new ATOM 0 HA LYS A 22 75.801 -9.679 1.728 1.00 0.00 H new ATOM 0 HB2 LYS A 22 73.207 -8.652 0.663 1.00 0.00 H new ATOM 0 HB3 LYS A 22 73.051 -9.957 1.822 1.00 0.00 H new ATOM 0 HG2 LYS A 22 74.904 -7.611 2.402 1.00 0.00 H new ATOM 0 HG3 LYS A 22 73.185 -7.473 2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 22 74.694 -9.898 3.754 1.00 0.00 H new ATOM 0 HD3 LYS A 22 74.806 -8.380 4.623 1.00 0.00 H new ATOM 0 HE2 LYS A 22 72.291 -8.276 4.745 1.00 0.00 H new ATOM 0 HE3 LYS A 22 72.194 -9.810 3.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 72.070 -10.120 6.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 73.480 -10.845 5.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 73.573 -9.359 6.511 1.00 0.00 H new ATOM 351 N GLY A 23 75.497 -12.115 1.434 1.00 0.00 N ATOM 352 CA GLY A 23 75.375 -13.557 1.250 1.00 0.00 C ATOM 353 C GLY A 23 76.287 -14.051 0.131 1.00 0.00 C ATOM 354 O GLY A 23 76.019 -15.080 -0.489 1.00 0.00 O ATOM 0 H GLY A 23 76.127 -11.834 2.186 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.627 -14.067 2.180 1.00 0.00 H new ATOM 0 HA3 GLY A 23 74.341 -13.810 1.018 1.00 0.00 H new ATOM 358 N GLY A 24 77.367 -13.317 -0.120 1.00 0.00 N ATOM 359 CA GLY A 24 78.311 -13.696 -1.164 1.00 0.00 C ATOM 360 C GLY A 24 79.493 -14.453 -0.572 1.00 0.00 C ATOM 361 O GLY A 24 79.334 -15.237 0.364 1.00 0.00 O ATOM 0 H GLY A 24 77.609 -12.462 0.382 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.810 -14.317 -1.906 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.666 -12.805 -1.681 1.00 0.00 H new ATOM 365 N LYS A 25 80.678 -14.212 -1.121 1.00 0.00 N ATOM 366 CA LYS A 25 81.884 -14.875 -0.636 1.00 0.00 C ATOM 367 C LYS A 25 83.110 -14.000 -0.880 1.00 0.00 C ATOM 368 O LYS A 25 83.379 -13.592 -2.010 1.00 0.00 O ATOM 369 CB LYS A 25 82.059 -16.227 -1.336 1.00 0.00 C ATOM 370 CG LYS A 25 82.489 -16.009 -2.790 1.00 0.00 C ATOM 371 CD LYS A 25 82.234 -17.288 -3.595 1.00 0.00 C ATOM 372 CE LYS A 25 82.872 -17.164 -4.982 1.00 0.00 C ATOM 373 NZ LYS A 25 83.033 -18.521 -5.576 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.830 -13.567 -1.897 1.00 0.00 H new ATOM 0 HA LYS A 25 81.781 -15.040 0.437 1.00 0.00 H new ATOM 0 HB2 LYS A 25 82.806 -16.824 -0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 25 81.124 -16.787 -1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 25 81.934 -15.177 -3.224 1.00 0.00 H new ATOM 0 HG3 LYS A 25 83.546 -15.744 -2.832 1.00 0.00 H new ATOM 0 HD2 LYS A 25 82.649 -18.148 -3.069 1.00 0.00 H new ATOM 0 HD3 LYS A 25 81.162 -17.460 -3.692 1.00 0.00 H new ATOM 0 HE2 LYS A 25 82.249 -16.544 -5.627 1.00 0.00 H new ATOM 0 HE3 LYS A 25 83.841 -16.671 -4.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 83.466 -18.438 -6.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 83.644 -19.098 -4.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 82.101 -18.975 -5.662 1.00 0.00 H new ATOM 387 N HIS A 26 83.844 -13.711 0.187 1.00 0.00 N ATOM 388 CA HIS A 26 85.036 -12.881 0.082 1.00 0.00 C ATOM 389 C HIS A 26 86.000 -13.443 -0.957 1.00 0.00 C ATOM 390 O HIS A 26 86.484 -14.567 -0.832 1.00 0.00 O ATOM 391 CB HIS A 26 85.735 -12.793 1.443 1.00 0.00 C ATOM 392 CG HIS A 26 85.547 -14.085 2.190 1.00 0.00 C ATOM 393 ND1 HIS A 26 85.683 -15.321 1.576 1.00 0.00 N ATOM 394 CD2 HIS A 26 85.230 -14.349 3.499 1.00 0.00 C ATOM 395 CE1 HIS A 26 85.450 -16.264 2.507 1.00 0.00 C ATOM 396 NE2 HIS A 26 85.169 -15.726 3.698 1.00 0.00 N ATOM 0 H HIS A 26 83.636 -14.038 1.131 1.00 0.00 H new ATOM 0 HA HIS A 26 84.730 -11.883 -0.234 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.797 -12.592 1.305 1.00 0.00 H new ATOM 0 HB3 HIS A 26 85.326 -11.964 2.021 1.00 0.00 H new ATOM 0 HD1 HIS A 26 85.917 -15.485 0.597 1.00 0.00 H new ATOM 0 HD2 HIS A 26 85.055 -13.602 4.259 1.00 0.00 H new ATOM 0 HE1 HIS A 26 85.486 -17.326 2.315 1.00 0.00 H new ATOM 405 N LYS A 27 86.279 -12.639 -1.978 1.00 0.00 N ATOM 406 CA LYS A 27 87.195 -13.042 -3.042 1.00 0.00 C ATOM 407 C LYS A 27 88.458 -12.192 -2.980 1.00 0.00 C ATOM 408 O LYS A 27 88.489 -11.075 -3.496 1.00 0.00 O ATOM 409 CB LYS A 27 86.524 -12.869 -4.406 1.00 0.00 C ATOM 410 CG LYS A 27 85.479 -13.968 -4.607 1.00 0.00 C ATOM 411 CD LYS A 27 84.526 -13.570 -5.738 1.00 0.00 C ATOM 412 CE LYS A 27 85.334 -13.224 -6.989 1.00 0.00 C ATOM 413 NZ LYS A 27 84.440 -13.246 -8.181 1.00 0.00 N1+ ATOM 0 H LYS A 27 85.885 -11.705 -2.092 1.00 0.00 H new ATOM 0 HA LYS A 27 87.457 -14.091 -2.906 1.00 0.00 H new ATOM 0 HB2 LYS A 27 86.052 -11.889 -4.469 1.00 0.00 H new ATOM 0 HB3 LYS A 27 87.271 -12.914 -5.198 1.00 0.00 H new ATOM 0 HG2 LYS A 27 85.970 -14.911 -4.847 1.00 0.00 H new ATOM 0 HG3 LYS A 27 84.920 -14.125 -3.685 1.00 0.00 H new ATOM 0 HD2 LYS A 27 83.837 -14.387 -5.952 1.00 0.00 H new ATOM 0 HD3 LYS A 27 83.922 -12.715 -5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 27 85.788 -12.239 -6.880 1.00 0.00 H new ATOM 0 HE3 LYS A 27 86.147 -13.938 -7.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 84.990 -13.011 -9.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 84.027 -14.194 -8.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 83.679 -12.548 -8.057 1.00 0.00 H new ATOM 427 N THR A 28 89.492 -12.721 -2.335 1.00 0.00 N ATOM 428 CA THR A 28 90.747 -11.993 -2.200 1.00 0.00 C ATOM 429 C THR A 28 90.508 -10.675 -1.470 1.00 0.00 C ATOM 430 O THR A 28 91.238 -9.704 -1.660 1.00 0.00 O ATOM 431 CB THR A 28 91.348 -11.721 -3.584 1.00 0.00 C ATOM 432 OG1 THR A 28 91.437 -12.942 -4.304 1.00 0.00 O ATOM 433 CG2 THR A 28 92.748 -11.111 -3.441 1.00 0.00 C ATOM 0 H THR A 28 89.486 -13.644 -1.901 1.00 0.00 H new ATOM 0 HA THR A 28 91.446 -12.598 -1.623 1.00 0.00 H new ATOM 0 HB THR A 28 90.708 -11.020 -4.120 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.819 -12.772 -5.190 1.00 0.00 H new ATOM 0 HG21 THR A 28 93.165 -10.922 -4.430 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.682 -10.173 -2.890 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.393 -11.804 -2.901 1.00 0.00 H new ATOM 441 N GLY A 29 89.477 -10.656 -0.630 1.00 0.00 N ATOM 442 CA GLY A 29 89.141 -9.458 0.131 1.00 0.00 C ATOM 443 C GLY A 29 87.811 -9.636 0.864 1.00 0.00 C ATOM 444 O GLY A 29 86.961 -10.420 0.441 1.00 0.00 O ATOM 0 H GLY A 29 88.863 -11.452 -0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 29 89.932 -9.245 0.850 1.00 0.00 H new ATOM 0 HA3 GLY A 29 89.080 -8.601 -0.540 1.00 0.00 H new ATOM 448 N PRO A 30 87.620 -8.927 1.947 1.00 0.00 N ATOM 449 CA PRO A 30 86.366 -9.009 2.757 1.00 0.00 C ATOM 450 C PRO A 30 85.155 -8.444 2.012 1.00 0.00 C ATOM 451 O PRO A 30 85.295 -7.824 0.959 1.00 0.00 O ATOM 452 CB PRO A 30 86.684 -8.174 4.005 1.00 0.00 C ATOM 453 CG PRO A 30 87.766 -7.235 3.583 1.00 0.00 C ATOM 454 CD PRO A 30 88.579 -7.970 2.521 1.00 0.00 C ATOM 0 HA PRO A 30 86.095 -10.040 2.987 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.804 -7.631 4.350 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.012 -8.807 4.829 1.00 0.00 H new ATOM 0 HG2 PRO A 30 87.346 -6.312 3.182 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.393 -6.958 4.430 1.00 0.00 H new ATOM 0 HD2 PRO A 30 88.962 -7.285 1.765 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.440 -8.478 2.956 1.00 0.00 H new ATOM 462 N ASN A 31 83.967 -8.668 2.572 1.00 0.00 N ATOM 463 CA ASN A 31 82.731 -8.182 1.962 1.00 0.00 C ATOM 464 C ASN A 31 82.275 -6.892 2.632 1.00 0.00 C ATOM 465 O ASN A 31 82.233 -6.800 3.858 1.00 0.00 O ATOM 466 CB ASN A 31 81.634 -9.239 2.096 1.00 0.00 C ATOM 467 CG ASN A 31 81.304 -9.461 3.568 1.00 0.00 C ATOM 468 OD1 ASN A 31 80.708 -8.594 4.210 1.00 0.00 O ATOM 469 ND2 ASN A 31 81.655 -10.577 4.145 1.00 0.00 N ATOM 0 H ASN A 31 83.835 -9.181 3.444 1.00 0.00 H new ATOM 0 HA ASN A 31 82.922 -7.984 0.907 1.00 0.00 H new ATOM 0 HB2 ASN A 31 80.741 -8.919 1.558 1.00 0.00 H new ATOM 0 HB3 ASN A 31 81.961 -10.175 1.643 1.00 0.00 H new ATOM 0 HD21 ASN A 31 81.436 -10.733 5.129 1.00 0.00 H new ATOM 0 HD22 ASN A 31 82.148 -11.293 3.612 1.00 0.00 H new ATOM 476 N LEU A 32 81.932 -5.900 1.818 1.00 0.00 N ATOM 477 CA LEU A 32 81.479 -4.614 2.342 1.00 0.00 C ATOM 478 C LEU A 32 80.008 -4.683 2.754 1.00 0.00 C ATOM 479 O LEU A 32 79.278 -3.697 2.646 1.00 0.00 O ATOM 480 CB LEU A 32 81.665 -3.517 1.288 1.00 0.00 C ATOM 481 CG LEU A 32 83.030 -3.669 0.606 1.00 0.00 C ATOM 482 CD1 LEU A 32 83.329 -2.415 -0.219 1.00 0.00 C ATOM 483 CD2 LEU A 32 84.120 -3.838 1.664 1.00 0.00 C ATOM 0 H LEU A 32 81.958 -5.959 0.800 1.00 0.00 H new ATOM 0 HA LEU A 32 82.079 -4.377 3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.870 -3.577 0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.591 -2.535 1.756 1.00 0.00 H new ATOM 0 HG LEU A 32 83.010 -4.545 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 32 84.299 -2.522 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.556 -2.285 -0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 32 83.345 -1.544 0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 32 85.088 -3.946 1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 32 84.136 -2.962 2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.914 -4.727 2.260 1.00 0.00 H new ATOM 495 N HIS A 33 79.579 -5.849 3.227 1.00 0.00 N ATOM 496 CA HIS A 33 78.195 -6.025 3.657 1.00 0.00 C ATOM 497 C HIS A 33 77.857 -5.046 4.777 1.00 0.00 C ATOM 498 O HIS A 33 78.655 -4.841 5.692 1.00 0.00 O ATOM 499 CB HIS A 33 77.976 -7.455 4.153 1.00 0.00 C ATOM 500 CG HIS A 33 78.201 -8.427 3.026 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.431 -9.775 3.252 1.00 0.00 N ATOM 502 CD2 HIS A 33 78.229 -8.265 1.662 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.586 -10.366 2.054 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.472 -9.491 1.051 1.00 0.00 N ATOM 0 H HIS A 33 80.163 -6.680 3.322 1.00 0.00 H new ATOM 0 HA HIS A 33 77.544 -5.832 2.804 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.658 -7.673 4.975 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.964 -7.563 4.542 1.00 0.00 H new ATOM 0 HD2 HIS A 33 78.084 -7.329 1.143 1.00 0.00 H new ATOM 0 HE1 HIS A 33 78.779 -11.420 1.919 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.547 -9.681 0.052 1.00 0.00 H new ATOM 513 N GLY A 34 76.672 -4.444 4.701 1.00 0.00 N ATOM 514 CA GLY A 34 76.244 -3.488 5.720 1.00 0.00 C ATOM 515 C GLY A 34 77.412 -2.615 6.169 1.00 0.00 C ATOM 516 O GLY A 34 77.454 -2.148 7.307 1.00 0.00 O ATOM 0 H GLY A 34 75.997 -4.599 3.952 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.446 -2.860 5.324 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.833 -4.022 6.577 1.00 0.00 H new ATOM 520 N LEU A 35 78.359 -2.407 5.263 1.00 0.00 N ATOM 521 CA LEU A 35 79.535 -1.596 5.556 1.00 0.00 C ATOM 522 C LEU A 35 79.136 -0.296 6.249 1.00 0.00 C ATOM 523 O LEU A 35 79.603 0.002 7.349 1.00 0.00 O ATOM 524 CB LEU A 35 80.267 -1.285 4.248 1.00 0.00 C ATOM 525 CG LEU A 35 81.491 -0.394 4.512 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.696 -1.263 4.882 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.812 0.406 3.246 1.00 0.00 C ATOM 0 H LEU A 35 78.336 -2.789 4.318 1.00 0.00 H new ATOM 0 HA LEU A 35 80.192 -2.151 6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.582 -2.213 3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.589 -0.786 3.556 1.00 0.00 H new ATOM 0 HG LEU A 35 81.273 0.286 5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.561 -0.626 5.068 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.468 -1.837 5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.918 -1.945 4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.680 1.040 3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 35 82.028 -0.280 2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.957 1.028 2.982 1.00 0.00 H new ATOM 539 N PHE A 36 78.278 0.478 5.595 1.00 0.00 N ATOM 540 CA PHE A 36 77.834 1.749 6.156 1.00 0.00 C ATOM 541 C PHE A 36 77.295 1.552 7.568 1.00 0.00 C ATOM 542 O PHE A 36 76.098 1.343 7.767 1.00 0.00 O ATOM 543 CB PHE A 36 76.753 2.367 5.266 1.00 0.00 C ATOM 544 CG PHE A 36 77.248 2.409 3.839 1.00 0.00 C ATOM 545 CD1 PHE A 36 77.096 1.288 3.013 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.869 3.563 3.344 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.562 1.322 1.695 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.336 3.596 2.027 1.00 0.00 C ATOM 549 CZ PHE A 36 78.183 2.476 1.202 1.00 0.00 C ATOM 0 H PHE A 36 77.879 0.251 4.684 1.00 0.00 H new ATOM 0 HA PHE A 36 78.689 2.424 6.201 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.836 1.782 5.328 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.513 3.373 5.610 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.619 0.397 3.394 1.00 0.00 H new ATOM 0 HD2 PHE A 36 77.987 4.428 3.980 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.443 0.458 1.058 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.815 4.486 1.646 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.544 2.502 0.184 1.00 0.00 H new ATOM 559 N GLY A 37 78.195 1.617 8.545 1.00 0.00 N ATOM 560 CA GLY A 37 77.815 1.444 9.944 1.00 0.00 C ATOM 561 C GLY A 37 78.862 0.624 10.693 1.00 0.00 C ATOM 562 O GLY A 37 78.996 0.738 11.912 1.00 0.00 O ATOM 0 H GLY A 37 79.189 1.788 8.395 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.703 2.419 10.418 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.847 0.947 10.004 1.00 0.00 H new ATOM 566 N ARG A 38 79.598 -0.203 9.958 1.00 0.00 N ATOM 567 CA ARG A 38 80.628 -1.039 10.567 1.00 0.00 C ATOM 568 C ARG A 38 81.860 -0.211 10.918 1.00 0.00 C ATOM 569 O ARG A 38 82.138 0.808 10.287 1.00 0.00 O ATOM 570 CB ARG A 38 81.044 -2.159 9.602 1.00 0.00 C ATOM 571 CG ARG A 38 80.015 -3.309 9.623 1.00 0.00 C ATOM 572 CD ARG A 38 80.731 -4.659 9.797 1.00 0.00 C ATOM 573 NE ARG A 38 82.099 -4.588 9.290 1.00 0.00 N ATOM 574 CZ ARG A 38 82.351 -4.476 7.990 1.00 0.00 C ATOM 575 NH1 ARG A 38 81.369 -4.457 7.132 1.00 0.00 N ATOM 576 NH2 ARG A 38 83.585 -4.392 7.573 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.503 -0.313 8.948 1.00 0.00 H new ATOM 0 HA ARG A 38 80.212 -1.470 11.477 1.00 0.00 H new ATOM 0 HB2 ARG A 38 81.131 -1.761 8.591 1.00 0.00 H new ATOM 0 HB3 ARG A 38 82.027 -2.539 9.880 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.306 -3.158 10.437 1.00 0.00 H new ATOM 0 HG3 ARG A 38 79.441 -3.310 8.696 1.00 0.00 H new ATOM 0 HD2 ARG A 38 80.743 -4.937 10.851 1.00 0.00 H new ATOM 0 HD3 ARG A 38 80.182 -5.438 9.268 1.00 0.00 H new ATOM 0 HE ARG A 38 82.878 -4.625 9.948 1.00 0.00 H new ATOM 0 HH11 ARG A 38 80.405 -4.528 7.458 1.00 0.00 H new ATOM 0 HH12 ARG A 38 81.565 -4.371 6.135 1.00 0.00 H new ATOM 0 HH21 ARG A 38 84.353 -4.412 8.244 1.00 0.00 H new ATOM 0 HH22 ARG A 38 83.782 -4.306 6.576 1.00 0.00 H new ATOM 590 N LYS A 39 82.602 -0.671 11.920 1.00 0.00 N ATOM 591 CA LYS A 39 83.816 0.015 12.345 1.00 0.00 C ATOM 592 C LYS A 39 85.006 -0.506 11.543 1.00 0.00 C ATOM 593 O LYS A 39 85.117 -1.706 11.296 1.00 0.00 O ATOM 594 CB LYS A 39 84.047 -0.219 13.847 1.00 0.00 C ATOM 595 CG LYS A 39 83.822 1.082 14.630 1.00 0.00 C ATOM 596 CD LYS A 39 85.022 2.022 14.450 1.00 0.00 C ATOM 597 CE LYS A 39 85.064 3.028 15.604 1.00 0.00 C ATOM 598 NZ LYS A 39 83.682 3.493 15.914 1.00 0.00 N1+ ATOM 0 H LYS A 39 82.384 -1.514 12.452 1.00 0.00 H new ATOM 0 HA LYS A 39 83.708 1.085 12.167 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.369 -0.992 14.210 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.062 -0.581 14.014 1.00 0.00 H new ATOM 0 HG2 LYS A 39 82.912 1.571 14.283 1.00 0.00 H new ATOM 0 HG3 LYS A 39 83.681 0.859 15.688 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.947 1.446 14.422 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.945 2.548 13.498 1.00 0.00 H new ATOM 0 HE2 LYS A 39 85.509 2.567 16.485 1.00 0.00 H new ATOM 0 HE3 LYS A 39 85.693 3.877 15.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 83.726 4.409 16.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 83.145 3.600 15.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 83.210 2.795 16.524 1.00 0.00 H new ATOM 612 N THR A 40 85.889 0.399 11.134 1.00 0.00 N ATOM 613 CA THR A 40 87.059 0.008 10.356 1.00 0.00 C ATOM 614 C THR A 40 87.634 -1.310 10.868 1.00 0.00 C ATOM 615 O THR A 40 87.882 -1.468 12.064 1.00 0.00 O ATOM 616 CB THR A 40 88.127 1.102 10.431 1.00 0.00 C ATOM 617 OG1 THR A 40 88.324 1.476 11.787 1.00 0.00 O ATOM 618 CG2 THR A 40 87.670 2.320 9.625 1.00 0.00 C ATOM 0 H THR A 40 85.819 1.398 11.326 1.00 0.00 H new ATOM 0 HA THR A 40 86.751 -0.127 9.319 1.00 0.00 H new ATOM 0 HB THR A 40 89.063 0.726 10.017 1.00 0.00 H new ATOM 0 HG1 THR A 40 89.256 1.309 12.040 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.431 3.098 9.679 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.519 2.032 8.585 1.00 0.00 H new ATOM 0 HG23 THR A 40 86.734 2.698 10.036 1.00 0.00 H new ATOM 626 N GLY A 41 87.841 -2.253 9.953 1.00 0.00 N ATOM 627 CA GLY A 41 88.387 -3.555 10.319 1.00 0.00 C ATOM 628 C GLY A 41 87.495 -4.266 11.332 1.00 0.00 C ATOM 629 O GLY A 41 87.971 -4.734 12.366 1.00 0.00 O ATOM 0 H GLY A 41 87.640 -2.141 8.959 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.491 -4.172 9.426 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.386 -3.428 10.737 1.00 0.00 H new ATOM 633 N GLN A 42 86.200 -4.342 11.032 1.00 0.00 N ATOM 634 CA GLN A 42 85.250 -5.000 11.930 1.00 0.00 C ATOM 635 C GLN A 42 84.586 -6.192 11.244 1.00 0.00 C ATOM 636 O GLN A 42 84.033 -7.068 11.908 1.00 0.00 O ATOM 637 CB GLN A 42 84.175 -4.004 12.379 1.00 0.00 C ATOM 638 CG GLN A 42 83.112 -4.733 13.207 1.00 0.00 C ATOM 639 CD GLN A 42 82.296 -3.727 14.013 1.00 0.00 C ATOM 640 OE1 GLN A 42 81.325 -3.075 13.435 1.00 0.00 O flip ATOM 641 NE2 GLN A 42 82.551 -3.530 15.201 1.00 0.00 N flip ATOM 0 H GLN A 42 85.786 -3.960 10.182 1.00 0.00 H new ATOM 0 HA GLN A 42 85.800 -5.360 12.799 1.00 0.00 H new ATOM 0 HB2 GLN A 42 84.627 -3.207 12.970 1.00 0.00 H new ATOM 0 HB3 GLN A 42 83.714 -3.534 11.510 1.00 0.00 H new ATOM 0 HG2 GLN A 42 82.455 -5.303 12.550 1.00 0.00 H new ATOM 0 HG3 GLN A 42 83.589 -5.447 13.878 1.00 0.00 H new ATOM 0 HE21 GLN A 42 83.311 -4.041 15.651 1.00 0.00 H new ATOM 0 HE22 GLN A 42 82.003 -2.856 15.735 1.00 0.00 H new ATOM 650 N ALA A 43 84.643 -6.222 9.917 1.00 0.00 N ATOM 651 CA ALA A 43 84.039 -7.316 9.166 1.00 0.00 C ATOM 652 C ALA A 43 84.654 -8.657 9.587 1.00 0.00 C ATOM 653 O ALA A 43 85.867 -8.839 9.493 1.00 0.00 O ATOM 654 CB ALA A 43 84.254 -7.095 7.664 1.00 0.00 C ATOM 0 H ALA A 43 85.096 -5.510 9.344 1.00 0.00 H new ATOM 0 HA ALA A 43 82.970 -7.339 9.379 1.00 0.00 H new ATOM 0 HB1 ALA A 43 83.801 -7.915 7.107 1.00 0.00 H new ATOM 0 HB2 ALA A 43 83.792 -6.154 7.365 1.00 0.00 H new ATOM 0 HB3 ALA A 43 85.322 -7.058 7.451 1.00 0.00 H new ATOM 660 N PRO A 44 83.854 -9.592 10.043 1.00 0.00 N ATOM 661 CA PRO A 44 84.354 -10.930 10.475 1.00 0.00 C ATOM 662 C PRO A 44 84.622 -11.855 9.290 1.00 0.00 C ATOM 663 O PRO A 44 83.690 -12.323 8.635 1.00 0.00 O ATOM 664 CB PRO A 44 83.214 -11.465 11.339 1.00 0.00 C ATOM 665 CG PRO A 44 81.980 -10.855 10.761 1.00 0.00 C ATOM 666 CD PRO A 44 82.390 -9.488 10.203 1.00 0.00 C ATOM 0 HA PRO A 44 85.307 -10.867 11.001 1.00 0.00 H new ATOM 0 HB2 PRO A 44 83.170 -12.554 11.306 1.00 0.00 H new ATOM 0 HB3 PRO A 44 83.343 -11.182 12.384 1.00 0.00 H new ATOM 0 HG2 PRO A 44 81.567 -11.487 9.975 1.00 0.00 H new ATOM 0 HG3 PRO A 44 81.207 -10.747 11.522 1.00 0.00 H new ATOM 0 HD2 PRO A 44 81.898 -9.281 9.252 1.00 0.00 H new ATOM 0 HD3 PRO A 44 82.119 -8.681 10.884 1.00 0.00 H new ATOM 674 N GLY A 45 85.897 -12.119 9.021 1.00 0.00 N ATOM 675 CA GLY A 45 86.266 -12.993 7.913 1.00 0.00 C ATOM 676 C GLY A 45 87.728 -12.803 7.527 1.00 0.00 C ATOM 677 O GLY A 45 88.594 -13.582 7.929 1.00 0.00 O ATOM 0 H GLY A 45 86.685 -11.744 9.549 1.00 0.00 H new ATOM 0 HA2 GLY A 45 86.093 -14.032 8.192 1.00 0.00 H new ATOM 0 HA3 GLY A 45 85.630 -12.784 7.053 1.00 0.00 H new ATOM 681 N PHE A 46 87.998 -11.766 6.741 1.00 0.00 N ATOM 682 CA PHE A 46 89.360 -11.487 6.302 1.00 0.00 C ATOM 683 C PHE A 46 90.207 -10.980 7.465 1.00 0.00 C ATOM 684 O PHE A 46 89.689 -10.383 8.409 1.00 0.00 O ATOM 685 CB PHE A 46 89.342 -10.440 5.185 1.00 0.00 C ATOM 686 CG PHE A 46 90.661 -10.461 4.449 1.00 0.00 C ATOM 687 CD1 PHE A 46 91.770 -9.791 4.981 1.00 0.00 C ATOM 688 CD2 PHE A 46 90.776 -11.150 3.236 1.00 0.00 C ATOM 689 CE1 PHE A 46 92.994 -9.810 4.299 1.00 0.00 C ATOM 690 CE2 PHE A 46 91.999 -11.169 2.555 1.00 0.00 C ATOM 691 CZ PHE A 46 93.108 -10.500 3.086 1.00 0.00 C ATOM 0 H PHE A 46 87.297 -11.109 6.397 1.00 0.00 H new ATOM 0 HA PHE A 46 89.798 -12.412 5.927 1.00 0.00 H new ATOM 0 HB2 PHE A 46 88.525 -10.645 4.493 1.00 0.00 H new ATOM 0 HB3 PHE A 46 89.164 -9.450 5.604 1.00 0.00 H new ATOM 0 HD1 PHE A 46 91.682 -9.260 5.917 1.00 0.00 H new ATOM 0 HD2 PHE A 46 89.921 -11.667 2.825 1.00 0.00 H new ATOM 0 HE1 PHE A 46 93.849 -9.293 4.709 1.00 0.00 H new ATOM 0 HE2 PHE A 46 92.087 -11.700 1.619 1.00 0.00 H new ATOM 0 HZ PHE A 46 94.051 -10.516 2.560 1.00 0.00 H new ATOM 701 N THR A 47 91.511 -11.226 7.391 1.00 0.00 N ATOM 702 CA THR A 47 92.424 -10.793 8.444 1.00 0.00 C ATOM 703 C THR A 47 92.769 -9.316 8.285 1.00 0.00 C ATOM 704 O THR A 47 93.794 -8.967 7.701 1.00 0.00 O ATOM 705 CB THR A 47 93.706 -11.626 8.397 1.00 0.00 C ATOM 706 OG1 THR A 47 93.384 -12.999 8.571 1.00 0.00 O ATOM 707 CG2 THR A 47 94.652 -11.175 9.510 1.00 0.00 C ATOM 0 H THR A 47 91.958 -11.720 6.618 1.00 0.00 H new ATOM 0 HA THR A 47 91.931 -10.936 9.406 1.00 0.00 H new ATOM 0 HB THR A 47 94.194 -11.487 7.432 1.00 0.00 H new ATOM 0 HG1 THR A 47 94.204 -13.534 8.539 1.00 0.00 H new ATOM 0 HG21 THR A 47 95.565 -11.770 9.475 1.00 0.00 H new ATOM 0 HG22 THR A 47 94.899 -10.122 9.373 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.167 -11.311 10.477 1.00 0.00 H new ATOM 715 N TYR A 48 91.907 -8.454 8.813 1.00 0.00 N ATOM 716 CA TYR A 48 92.132 -7.016 8.726 1.00 0.00 C ATOM 717 C TYR A 48 93.447 -6.641 9.402 1.00 0.00 C ATOM 718 O TYR A 48 93.899 -7.318 10.325 1.00 0.00 O ATOM 719 CB TYR A 48 90.976 -6.268 9.397 1.00 0.00 C ATOM 720 CG TYR A 48 89.808 -6.185 8.446 1.00 0.00 C ATOM 721 CD1 TYR A 48 89.769 -5.176 7.478 1.00 0.00 C ATOM 722 CD2 TYR A 48 88.764 -7.113 8.533 1.00 0.00 C ATOM 723 CE1 TYR A 48 88.689 -5.094 6.595 1.00 0.00 C ATOM 724 CE2 TYR A 48 87.682 -7.031 7.650 1.00 0.00 C ATOM 725 CZ TYR A 48 87.643 -6.022 6.681 1.00 0.00 C ATOM 726 OH TYR A 48 86.576 -5.939 5.813 1.00 0.00 O ATOM 0 H TYR A 48 91.053 -8.723 9.302 1.00 0.00 H new ATOM 0 HA TYR A 48 92.184 -6.734 7.674 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.678 -6.782 10.311 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.296 -5.266 9.685 1.00 0.00 H new ATOM 0 HD1 TYR A 48 90.574 -4.460 7.413 1.00 0.00 H new ATOM 0 HD2 TYR A 48 88.794 -7.892 9.281 1.00 0.00 H new ATOM 0 HE1 TYR A 48 88.661 -4.316 5.847 1.00 0.00 H new ATOM 0 HE2 TYR A 48 86.876 -7.747 7.716 1.00 0.00 H new ATOM 0 HH TYR A 48 85.862 -5.407 6.222 1.00 0.00 H new ATOM 736 N THR A 49 94.058 -5.557 8.934 1.00 0.00 N ATOM 737 CA THR A 49 95.322 -5.101 9.501 1.00 0.00 C ATOM 738 C THR A 49 95.086 -4.386 10.827 1.00 0.00 C ATOM 739 O THR A 49 93.957 -4.021 11.153 1.00 0.00 O ATOM 740 CB THR A 49 96.020 -4.152 8.523 1.00 0.00 C ATOM 741 OG1 THR A 49 95.159 -3.062 8.230 1.00 0.00 O ATOM 742 CG2 THR A 49 96.357 -4.901 7.232 1.00 0.00 C ATOM 0 H THR A 49 93.702 -4.982 8.170 1.00 0.00 H new ATOM 0 HA THR A 49 95.955 -5.970 9.678 1.00 0.00 H new ATOM 0 HB THR A 49 96.940 -3.779 8.973 1.00 0.00 H new ATOM 0 HG1 THR A 49 95.686 -2.238 8.161 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.854 -4.224 6.537 1.00 0.00 H new ATOM 0 HG22 THR A 49 97.018 -5.737 7.459 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.439 -5.276 6.779 1.00 0.00 H new ATOM 750 N ASP A 50 96.159 -4.190 11.589 1.00 0.00 N ATOM 751 CA ASP A 50 96.056 -3.516 12.879 1.00 0.00 C ATOM 752 C ASP A 50 95.509 -2.105 12.703 1.00 0.00 C ATOM 753 O ASP A 50 94.693 -1.641 13.500 1.00 0.00 O ATOM 754 CB ASP A 50 97.430 -3.455 13.549 1.00 0.00 C ATOM 755 CG ASP A 50 98.156 -4.785 13.372 1.00 0.00 C ATOM 756 OD1 ASP A 50 97.489 -5.805 13.369 1.00 0.00 O ATOM 757 OD2 ASP A 50 99.369 -4.762 13.243 1.00 0.00 O1- ATOM 0 H ASP A 50 97.102 -4.486 11.338 1.00 0.00 H new ATOM 0 HA ASP A 50 95.371 -4.082 13.510 1.00 0.00 H new ATOM 0 HB2 ASP A 50 98.020 -2.648 13.114 1.00 0.00 H new ATOM 0 HB3 ASP A 50 97.317 -3.231 14.610 1.00 0.00 H new ATOM 762 N ALA A 51 95.962 -1.427 11.656 1.00 0.00 N ATOM 763 CA ALA A 51 95.509 -0.069 11.385 1.00 0.00 C ATOM 764 C ALA A 51 93.999 -0.039 11.186 1.00 0.00 C ATOM 765 O ALA A 51 93.323 0.880 11.641 1.00 0.00 O ATOM 766 CB ALA A 51 96.204 0.473 10.136 1.00 0.00 C ATOM 0 H ALA A 51 96.638 -1.792 10.985 1.00 0.00 H new ATOM 0 HA ALA A 51 95.762 0.557 12.240 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.860 1.489 9.940 1.00 0.00 H new ATOM 0 HB2 ALA A 51 97.283 0.479 10.294 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.966 -0.162 9.283 1.00 0.00 H new ATOM 772 N ASN A 52 93.476 -1.049 10.501 1.00 0.00 N ATOM 773 CA ASN A 52 92.041 -1.127 10.248 1.00 0.00 C ATOM 774 C ASN A 52 91.318 -1.697 11.464 1.00 0.00 C ATOM 775 O ASN A 52 90.145 -1.408 11.694 1.00 0.00 O ATOM 776 CB ASN A 52 91.777 -2.009 9.018 1.00 0.00 C ATOM 777 CG ASN A 52 91.368 -1.147 7.826 1.00 0.00 C ATOM 778 OD1 ASN A 52 91.787 0.007 7.720 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.571 -1.641 6.920 1.00 0.00 N ATOM 0 H ASN A 52 94.019 -1.821 10.113 1.00 0.00 H new ATOM 0 HA ASN A 52 91.662 -0.123 10.057 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.672 -2.580 8.772 1.00 0.00 H new ATOM 0 HB3 ASN A 52 90.991 -2.730 9.241 1.00 0.00 H new ATOM 0 HD21 ASN A 52 90.293 -1.072 6.121 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.226 -2.597 7.011 1.00 0.00 H new ATOM 786 N LYS A 53 92.029 -2.499 12.247 1.00 0.00 N ATOM 787 CA LYS A 53 91.456 -3.097 13.442 1.00 0.00 C ATOM 788 C LYS A 53 91.564 -2.109 14.594 1.00 0.00 C ATOM 789 O LYS A 53 90.986 -2.306 15.663 1.00 0.00 O ATOM 790 CB LYS A 53 92.198 -4.408 13.762 1.00 0.00 C ATOM 791 CG LYS A 53 92.290 -4.626 15.277 1.00 0.00 C ATOM 792 CD LYS A 53 92.892 -6.009 15.563 1.00 0.00 C ATOM 793 CE LYS A 53 91.777 -7.057 15.630 1.00 0.00 C ATOM 794 NZ LYS A 53 91.043 -6.919 16.920 1.00 0.00 N1+ ATOM 0 H LYS A 53 93.003 -2.749 12.074 1.00 0.00 H new ATOM 0 HA LYS A 53 90.403 -3.330 13.283 1.00 0.00 H new ATOM 0 HB2 LYS A 53 91.678 -5.247 13.300 1.00 0.00 H new ATOM 0 HB3 LYS A 53 93.200 -4.378 13.333 1.00 0.00 H new ATOM 0 HG2 LYS A 53 92.907 -3.849 15.729 1.00 0.00 H new ATOM 0 HG3 LYS A 53 91.300 -4.549 15.726 1.00 0.00 H new ATOM 0 HD2 LYS A 53 93.606 -6.273 14.783 1.00 0.00 H new ATOM 0 HD3 LYS A 53 93.442 -5.989 16.504 1.00 0.00 H new ATOM 0 HE2 LYS A 53 91.091 -6.928 14.793 1.00 0.00 H new ATOM 0 HE3 LYS A 53 92.199 -8.058 15.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 90.533 -7.802 17.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 91.720 -6.724 17.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 90.363 -6.135 16.851 1.00 0.00 H new ATOM 808 N ASN A 54 92.308 -1.037 14.354 1.00 0.00 N ATOM 809 CA ASN A 54 92.493 -0.007 15.364 1.00 0.00 C ATOM 810 C ASN A 54 91.166 0.673 15.664 1.00 0.00 C ATOM 811 O ASN A 54 91.001 1.316 16.701 1.00 0.00 O ATOM 812 CB ASN A 54 93.495 1.028 14.854 1.00 0.00 C ATOM 813 CG ASN A 54 92.792 2.085 14.003 1.00 0.00 C ATOM 814 OD1 ASN A 54 91.839 1.728 13.188 1.00 0.00 O flip ATOM 815 ND2 ASN A 54 93.121 3.269 14.088 1.00 0.00 N flip ATOM 0 H ASN A 54 92.790 -0.860 13.473 1.00 0.00 H new ATOM 0 HA ASN A 54 92.871 -0.465 16.278 1.00 0.00 H new ATOM 0 HB2 ASN A 54 93.994 1.505 15.697 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.268 0.534 14.265 1.00 0.00 H new ATOM 0 HD21 ASN A 54 93.867 3.547 14.726 1.00 0.00 H new ATOM 0 HD22 ASN A 54 92.648 3.972 13.520 1.00 0.00 H new ATOM 822 N LYS A 55 90.229 0.520 14.743 1.00 0.00 N ATOM 823 CA LYS A 55 88.906 1.118 14.903 1.00 0.00 C ATOM 824 C LYS A 55 89.022 2.623 15.109 1.00 0.00 C ATOM 825 O LYS A 55 88.673 3.142 16.170 1.00 0.00 O ATOM 826 CB LYS A 55 88.191 0.493 16.103 1.00 0.00 C ATOM 827 CG LYS A 55 87.882 -0.978 15.805 1.00 0.00 C ATOM 828 CD LYS A 55 87.441 -1.693 17.090 1.00 0.00 C ATOM 829 CE LYS A 55 85.948 -1.453 17.333 1.00 0.00 C ATOM 830 NZ LYS A 55 85.628 -1.724 18.763 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.355 -0.009 13.880 1.00 0.00 H new ATOM 0 HA LYS A 55 88.330 0.928 13.997 1.00 0.00 H new ATOM 0 HB2 LYS A 55 88.815 0.571 16.993 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.268 1.034 16.312 1.00 0.00 H new ATOM 0 HG2 LYS A 55 87.097 -1.048 15.052 1.00 0.00 H new ATOM 0 HG3 LYS A 55 88.764 -1.467 15.392 1.00 0.00 H new ATOM 0 HD2 LYS A 55 87.638 -2.762 17.008 1.00 0.00 H new ATOM 0 HD3 LYS A 55 88.020 -1.326 17.938 1.00 0.00 H new ATOM 0 HE2 LYS A 55 85.688 -0.425 17.079 1.00 0.00 H new ATOM 0 HE3 LYS A 55 85.355 -2.101 16.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 84.614 -1.561 18.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 85.862 -2.712 18.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 86.184 -1.088 19.370 1.00 0.00 H new ATOM 844 N GLY A 56 89.520 3.320 14.094 1.00 0.00 N ATOM 845 CA GLY A 56 89.685 4.765 14.184 1.00 0.00 C ATOM 846 C GLY A 56 88.368 5.494 13.939 1.00 0.00 C ATOM 847 O GLY A 56 88.014 6.414 14.677 1.00 0.00 O ATOM 0 H GLY A 56 89.814 2.912 13.207 1.00 0.00 H new ATOM 0 HA2 GLY A 56 90.070 5.028 15.169 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.425 5.094 13.455 1.00 0.00 H new ATOM 851 N ILE A 57 87.647 5.082 12.902 1.00 0.00 N ATOM 852 CA ILE A 57 86.371 5.713 12.576 1.00 0.00 C ATOM 853 C ILE A 57 85.392 4.686 12.021 1.00 0.00 C ATOM 854 O ILE A 57 85.780 3.578 11.651 1.00 0.00 O ATOM 855 CB ILE A 57 86.583 6.835 11.556 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.047 6.243 10.216 1.00 0.00 C ATOM 857 CG2 ILE A 57 87.649 7.797 12.083 1.00 0.00 C ATOM 858 CD1 ILE A 57 85.850 5.684 9.433 1.00 0.00 C ATOM 0 H ILE A 57 87.919 4.322 12.278 1.00 0.00 H new ATOM 0 HA ILE A 57 85.953 6.136 13.490 1.00 0.00 H new ATOM 0 HB ILE A 57 85.645 7.368 11.405 1.00 0.00 H new ATOM 0 HG12 ILE A 57 87.548 7.011 9.627 1.00 0.00 H new ATOM 0 HG13 ILE A 57 87.775 5.451 10.394 1.00 0.00 H new ATOM 0 HG21 ILE A 57 87.805 8.599 11.361 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.319 8.222 13.031 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.584 7.257 12.233 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.196 5.269 8.487 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.366 4.901 10.018 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.137 6.485 9.238 1.00 0.00 H new ATOM 870 N THR A 58 84.119 5.064 11.970 1.00 0.00 N ATOM 871 CA THR A 58 83.081 4.170 11.466 1.00 0.00 C ATOM 872 C THR A 58 82.768 4.460 10.001 1.00 0.00 C ATOM 873 O THR A 58 82.675 5.616 9.593 1.00 0.00 O ATOM 874 CB THR A 58 81.811 4.335 12.302 1.00 0.00 C ATOM 875 OG1 THR A 58 82.058 3.891 13.628 1.00 0.00 O ATOM 876 CG2 THR A 58 80.683 3.509 11.686 1.00 0.00 C ATOM 0 H THR A 58 83.782 5.979 12.270 1.00 0.00 H new ATOM 0 HA THR A 58 83.446 3.146 11.543 1.00 0.00 H new ATOM 0 HB THR A 58 81.520 5.385 12.320 1.00 0.00 H new ATOM 0 HG1 THR A 58 81.245 3.998 14.165 1.00 0.00 H new ATOM 0 HG21 THR A 58 79.778 3.627 12.282 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.495 3.852 10.669 1.00 0.00 H new ATOM 0 HG23 THR A 58 80.970 2.458 11.667 1.00 0.00 H new ATOM 884 N TRP A 59 82.596 3.398 9.215 1.00 0.00 N ATOM 885 CA TRP A 59 82.282 3.557 7.801 1.00 0.00 C ATOM 886 C TRP A 59 80.946 4.266 7.633 1.00 0.00 C ATOM 887 O TRP A 59 80.002 4.022 8.384 1.00 0.00 O ATOM 888 CB TRP A 59 82.214 2.197 7.103 1.00 0.00 C ATOM 889 CG TRP A 59 83.558 1.541 7.118 1.00 0.00 C ATOM 890 CD1 TRP A 59 83.846 0.378 7.748 1.00 0.00 C ATOM 891 CD2 TRP A 59 84.792 1.979 6.480 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.180 0.076 7.538 1.00 0.00 N ATOM 893 CE2 TRP A 59 85.805 1.033 6.764 1.00 0.00 C ATOM 894 CE3 TRP A 59 85.128 3.093 5.692 1.00 0.00 C ATOM 895 CZ2 TRP A 59 87.106 1.188 6.283 1.00 0.00 C ATOM 896 CZ3 TRP A 59 86.435 3.253 5.206 1.00 0.00 C ATOM 897 CH2 TRP A 59 87.423 2.302 5.501 1.00 0.00 C ATOM 0 H TRP A 59 82.668 2.431 9.531 1.00 0.00 H new ATOM 0 HA TRP A 59 83.074 4.153 7.348 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.485 1.560 7.603 1.00 0.00 H new ATOM 0 HB3 TRP A 59 81.875 2.324 6.075 1.00 0.00 H new ATOM 0 HD1 TRP A 59 83.149 -0.216 8.320 1.00 0.00 H new ATOM 0 HE1 TRP A 59 85.645 -0.752 7.910 1.00 0.00 H new ATOM 0 HE3 TRP A 59 84.375 3.831 5.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 87.862 0.452 6.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 86.681 4.113 4.601 1.00 0.00 H new ATOM 0 HH2 TRP A 59 88.427 2.430 5.124 1.00 0.00 H new ATOM 908 N LYS A 60 80.879 5.139 6.642 1.00 0.00 N ATOM 909 CA LYS A 60 79.663 5.887 6.361 1.00 0.00 C ATOM 910 C LYS A 60 79.673 6.332 4.904 1.00 0.00 C ATOM 911 O LYS A 60 80.455 5.825 4.105 1.00 0.00 O ATOM 912 CB LYS A 60 79.577 7.112 7.276 1.00 0.00 C ATOM 913 CG LYS A 60 79.406 6.658 8.731 1.00 0.00 C ATOM 914 CD LYS A 60 78.975 7.845 9.601 1.00 0.00 C ATOM 915 CE LYS A 60 80.187 8.730 9.897 1.00 0.00 C ATOM 916 NZ LYS A 60 79.762 9.893 10.725 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.656 5.349 6.015 1.00 0.00 H new ATOM 0 HA LYS A 60 78.797 5.250 6.544 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.479 7.716 7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 60 78.738 7.741 6.980 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.661 5.864 8.788 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.342 6.243 9.104 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.206 8.423 9.090 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.538 7.486 10.533 1.00 0.00 H new ATOM 0 HE2 LYS A 60 80.950 8.156 10.422 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.634 9.077 8.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.586 10.495 10.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 79.048 10.445 10.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.355 9.552 11.619 1.00 0.00 H new ATOM 930 N GLU A 61 78.811 7.280 4.561 1.00 0.00 N ATOM 931 CA GLU A 61 78.758 7.771 3.192 1.00 0.00 C ATOM 932 C GLU A 61 79.972 8.646 2.893 1.00 0.00 C ATOM 933 O GLU A 61 80.740 8.368 1.971 1.00 0.00 O ATOM 934 CB GLU A 61 77.475 8.576 2.973 1.00 0.00 C ATOM 935 CG GLU A 61 77.359 8.962 1.497 1.00 0.00 C ATOM 936 CD GLU A 61 76.016 9.635 1.238 1.00 0.00 C ATOM 937 OE1 GLU A 61 75.872 10.788 1.613 1.00 0.00 O ATOM 938 OE2 GLU A 61 75.151 8.990 0.669 1.00 0.00 O1- ATOM 0 H GLU A 61 78.149 7.718 5.201 1.00 0.00 H new ATOM 0 HA GLU A 61 78.765 6.916 2.517 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.608 7.988 3.275 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.485 9.472 3.594 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.171 9.636 1.224 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.457 8.075 0.872 1.00 0.00 H new ATOM 945 N GLU A 62 80.143 9.704 3.680 1.00 0.00 N ATOM 946 CA GLU A 62 81.267 10.615 3.485 1.00 0.00 C ATOM 947 C GLU A 62 82.591 9.929 3.811 1.00 0.00 C ATOM 948 O GLU A 62 83.534 9.975 3.023 1.00 0.00 O ATOM 949 CB GLU A 62 81.100 11.854 4.371 1.00 0.00 C ATOM 950 CG GLU A 62 79.625 12.285 4.394 1.00 0.00 C ATOM 951 CD GLU A 62 78.913 11.662 5.593 1.00 0.00 C ATOM 952 OE1 GLU A 62 78.405 10.563 5.450 1.00 0.00 O1- ATOM 953 OE2 GLU A 62 78.886 12.295 6.635 1.00 0.00 O ATOM 0 H GLU A 62 79.524 9.951 4.452 1.00 0.00 H new ATOM 0 HA GLU A 62 81.280 10.915 2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 62 81.440 11.636 5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 62 81.720 12.668 3.994 1.00 0.00 H new ATOM 0 HG2 GLU A 62 79.557 13.372 4.445 1.00 0.00 H new ATOM 0 HG3 GLU A 62 79.134 11.978 3.470 1.00 0.00 H new ATOM 960 N THR A 63 82.656 9.292 4.973 1.00 0.00 N ATOM 961 CA THR A 63 83.875 8.603 5.380 1.00 0.00 C ATOM 962 C THR A 63 84.401 7.759 4.233 1.00 0.00 C ATOM 963 O THR A 63 85.610 7.663 4.017 1.00 0.00 O ATOM 964 CB THR A 63 83.595 7.702 6.581 1.00 0.00 C ATOM 965 OG1 THR A 63 82.570 6.777 6.248 1.00 0.00 O ATOM 966 CG2 THR A 63 83.148 8.553 7.765 1.00 0.00 C ATOM 0 H THR A 63 81.889 9.238 5.644 1.00 0.00 H new ATOM 0 HA THR A 63 84.620 9.349 5.655 1.00 0.00 H new ATOM 0 HB THR A 63 84.502 7.160 6.848 1.00 0.00 H new ATOM 0 HG1 THR A 63 82.954 6.031 5.741 1.00 0.00 H new ATOM 0 HG21 THR A 63 82.948 7.909 8.621 1.00 0.00 H new ATOM 0 HG22 THR A 63 83.935 9.263 8.020 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.241 9.096 7.501 1.00 0.00 H new ATOM 974 N LEU A 64 83.481 7.152 3.498 1.00 0.00 N ATOM 975 CA LEU A 64 83.860 6.318 2.370 1.00 0.00 C ATOM 976 C LEU A 64 84.433 7.181 1.251 1.00 0.00 C ATOM 977 O LEU A 64 85.362 6.772 0.559 1.00 0.00 O ATOM 978 CB LEU A 64 82.644 5.528 1.859 1.00 0.00 C ATOM 979 CG LEU A 64 82.761 4.049 2.262 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.490 3.301 1.837 1.00 0.00 C ATOM 981 CD2 LEU A 64 83.986 3.418 1.578 1.00 0.00 C ATOM 0 H LEU A 64 82.476 7.221 3.661 1.00 0.00 H new ATOM 0 HA LEU A 64 84.623 5.611 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.728 5.952 2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.577 5.612 0.774 1.00 0.00 H new ATOM 0 HG LEU A 64 82.880 3.978 3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.572 2.252 2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.625 3.744 2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.369 3.374 0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.064 2.370 1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.875 3.489 0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.888 3.948 1.886 1.00 0.00 H new ATOM 993 N MET A 65 83.878 8.380 1.079 1.00 0.00 N ATOM 994 CA MET A 65 84.362 9.279 0.035 1.00 0.00 C ATOM 995 C MET A 65 85.842 9.584 0.236 1.00 0.00 C ATOM 996 O MET A 65 86.660 9.346 -0.652 1.00 0.00 O ATOM 997 CB MET A 65 83.567 10.584 0.041 1.00 0.00 C ATOM 998 CG MET A 65 82.101 10.285 -0.260 1.00 0.00 C ATOM 999 SD MET A 65 81.113 11.779 0.007 1.00 0.00 S ATOM 1000 CE MET A 65 80.780 12.145 -1.730 1.00 0.00 C ATOM 0 H MET A 65 83.107 8.746 1.638 1.00 0.00 H new ATOM 0 HA MET A 65 84.227 8.783 -0.926 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.658 11.074 1.010 1.00 0.00 H new ATOM 0 HB3 MET A 65 83.970 11.272 -0.703 1.00 0.00 H new ATOM 0 HG2 MET A 65 81.992 9.943 -1.289 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.744 9.480 0.382 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.086 12.982 -1.799 1.00 0.00 H new ATOM 0 HE2 MET A 65 81.712 12.404 -2.232 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.341 11.270 -2.209 1.00 0.00 H new ATOM 1010 N GLU A 66 86.183 10.106 1.410 1.00 0.00 N ATOM 1011 CA GLU A 66 87.572 10.426 1.708 1.00 0.00 C ATOM 1012 C GLU A 66 88.427 9.172 1.589 1.00 0.00 C ATOM 1013 O GLU A 66 89.615 9.240 1.273 1.00 0.00 O ATOM 1014 CB GLU A 66 87.689 10.999 3.122 1.00 0.00 C ATOM 1015 CG GLU A 66 86.664 12.120 3.306 1.00 0.00 C ATOM 1016 CD GLU A 66 87.019 12.955 4.532 1.00 0.00 C ATOM 1017 OE1 GLU A 66 87.450 12.373 5.515 1.00 0.00 O1- ATOM 1018 OE2 GLU A 66 86.857 14.162 4.470 1.00 0.00 O ATOM 0 H GLU A 66 85.525 10.314 2.161 1.00 0.00 H new ATOM 0 HA GLU A 66 87.924 11.171 0.994 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.521 10.214 3.859 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.696 11.382 3.288 1.00 0.00 H new ATOM 0 HG2 GLU A 66 86.642 12.753 2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 66 85.666 11.696 3.421 1.00 0.00 H new ATOM 1025 N TYR A 67 87.805 8.026 1.841 1.00 0.00 N ATOM 1026 CA TYR A 67 88.502 6.749 1.757 1.00 0.00 C ATOM 1027 C TYR A 67 88.669 6.333 0.302 1.00 0.00 C ATOM 1028 O TYR A 67 89.630 5.656 -0.054 1.00 0.00 O ATOM 1029 CB TYR A 67 87.708 5.681 2.509 1.00 0.00 C ATOM 1030 CG TYR A 67 88.418 4.352 2.423 1.00 0.00 C ATOM 1031 CD1 TYR A 67 89.494 4.076 3.274 1.00 0.00 C ATOM 1032 CD2 TYR A 67 87.999 3.394 1.492 1.00 0.00 C ATOM 1033 CE1 TYR A 67 90.151 2.842 3.196 1.00 0.00 C ATOM 1034 CE2 TYR A 67 88.656 2.160 1.411 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.732 1.884 2.264 1.00 0.00 C ATOM 1036 OH TYR A 67 90.380 0.668 2.186 1.00 0.00 O ATOM 0 H TYR A 67 86.822 7.955 2.104 1.00 0.00 H new ATOM 0 HA TYR A 67 89.489 6.855 2.208 1.00 0.00 H new ATOM 0 HB2 TYR A 67 87.589 5.972 3.553 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.707 5.596 2.086 1.00 0.00 H new ATOM 0 HD1 TYR A 67 89.818 4.815 3.992 1.00 0.00 H new ATOM 0 HD2 TYR A 67 87.168 3.607 0.836 1.00 0.00 H new ATOM 0 HE1 TYR A 67 90.980 2.629 3.854 1.00 0.00 H new ATOM 0 HE2 TYR A 67 88.333 1.422 0.692 1.00 0.00 H new ATOM 0 HH TYR A 67 90.291 0.308 1.279 1.00 0.00 H new ATOM 1046 N LEU A 68 87.720 6.743 -0.535 1.00 0.00 N ATOM 1047 CA LEU A 68 87.762 6.405 -1.955 1.00 0.00 C ATOM 1048 C LEU A 68 88.737 7.314 -2.702 1.00 0.00 C ATOM 1049 O LEU A 68 89.224 6.963 -3.776 1.00 0.00 O ATOM 1050 CB LEU A 68 86.361 6.549 -2.569 1.00 0.00 C ATOM 1051 CG LEU A 68 85.492 5.331 -2.230 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.125 5.499 -2.882 1.00 0.00 C ATOM 1053 CD2 LEU A 68 86.128 4.044 -2.761 1.00 0.00 C ATOM 0 H LEU A 68 86.917 7.307 -0.257 1.00 0.00 H new ATOM 0 HA LEU A 68 88.101 5.373 -2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 68 85.886 7.456 -2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.442 6.654 -3.651 1.00 0.00 H new ATOM 0 HG LEU A 68 85.400 5.262 -1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.501 4.637 -2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.651 6.405 -2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 68 84.244 5.575 -3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.494 3.194 -2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.233 4.110 -3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 68 87.111 3.910 -2.309 1.00 0.00 H new ATOM 1065 N GLU A 69 89.016 8.482 -2.131 1.00 0.00 N ATOM 1066 CA GLU A 69 89.928 9.431 -2.754 1.00 0.00 C ATOM 1067 C GLU A 69 91.359 9.169 -2.289 1.00 0.00 C ATOM 1068 O GLU A 69 92.319 9.667 -2.877 1.00 0.00 O ATOM 1069 CB GLU A 69 89.495 10.858 -2.386 1.00 0.00 C ATOM 1070 CG GLU A 69 90.693 11.805 -2.431 1.00 0.00 C ATOM 1071 CD GLU A 69 90.216 13.253 -2.417 1.00 0.00 C ATOM 1072 OE1 GLU A 69 89.525 13.637 -3.346 1.00 0.00 O ATOM 1073 OE2 GLU A 69 90.547 13.957 -1.477 1.00 0.00 O1- ATOM 0 H GLU A 69 88.625 8.792 -1.241 1.00 0.00 H new ATOM 0 HA GLU A 69 89.896 9.313 -3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 69 88.726 11.201 -3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 69 89.054 10.866 -1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 69 91.345 11.620 -1.577 1.00 0.00 H new ATOM 0 HG3 GLU A 69 91.282 11.617 -3.329 1.00 0.00 H new ATOM 1080 N ASN A 70 91.490 8.381 -1.230 1.00 0.00 N ATOM 1081 CA ASN A 70 92.800 8.053 -0.685 1.00 0.00 C ATOM 1082 C ASN A 70 92.656 6.988 0.395 1.00 0.00 C ATOM 1083 O ASN A 70 92.844 7.264 1.579 1.00 0.00 O ATOM 1084 CB ASN A 70 93.445 9.305 -0.090 1.00 0.00 C ATOM 1085 CG ASN A 70 92.561 9.876 1.014 1.00 0.00 C ATOM 1086 OD1 ASN A 70 91.621 10.621 0.733 1.00 0.00 O ATOM 1087 ND2 ASN A 70 92.805 9.569 2.258 1.00 0.00 N ATOM 0 H ASN A 70 90.707 7.958 -0.732 1.00 0.00 H new ATOM 0 HA ASN A 70 93.433 7.671 -1.486 1.00 0.00 H new ATOM 0 HB2 ASN A 70 94.429 9.061 0.311 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.595 10.052 -0.870 1.00 0.00 H new ATOM 0 HD21 ASN A 70 92.217 9.946 3.001 1.00 0.00 H new ATOM 0 HD22 ASN A 70 93.584 8.952 2.488 1.00 0.00 H new ATOM 1094 N PRO A 71 92.307 5.788 0.012 1.00 0.00 N ATOM 1095 CA PRO A 71 92.113 4.669 0.976 1.00 0.00 C ATOM 1096 C PRO A 71 93.366 4.385 1.804 1.00 0.00 C ATOM 1097 O PRO A 71 93.279 3.877 2.923 1.00 0.00 O ATOM 1098 CB PRO A 71 91.735 3.462 0.101 1.00 0.00 C ATOM 1099 CG PRO A 71 92.047 3.846 -1.315 1.00 0.00 C ATOM 1100 CD PRO A 71 92.070 5.372 -1.379 1.00 0.00 C ATOM 0 HA PRO A 71 91.345 4.908 1.711 1.00 0.00 H new ATOM 0 HB2 PRO A 71 92.299 2.577 0.396 1.00 0.00 H new ATOM 0 HB3 PRO A 71 90.679 3.218 0.213 1.00 0.00 H new ATOM 0 HG2 PRO A 71 93.009 3.434 -1.622 1.00 0.00 H new ATOM 0 HG3 PRO A 71 91.297 3.444 -1.996 1.00 0.00 H new ATOM 0 HD2 PRO A 71 92.857 5.731 -2.042 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.128 5.769 -1.758 1.00 0.00 H new ATOM 1108 N LYS A 72 94.526 4.714 1.251 1.00 0.00 N ATOM 1109 CA LYS A 72 95.784 4.481 1.951 1.00 0.00 C ATOM 1110 C LYS A 72 96.100 5.627 2.910 1.00 0.00 C ATOM 1111 O LYS A 72 96.473 5.397 4.060 1.00 0.00 O ATOM 1112 CB LYS A 72 96.926 4.334 0.939 1.00 0.00 C ATOM 1113 CG LYS A 72 98.242 4.010 1.674 1.00 0.00 C ATOM 1114 CD LYS A 72 98.673 2.569 1.376 1.00 0.00 C ATOM 1115 CE LYS A 72 97.720 1.592 2.069 1.00 0.00 C ATOM 1116 NZ LYS A 72 97.654 1.906 3.524 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.623 5.139 0.329 1.00 0.00 H new ATOM 0 HA LYS A 72 95.683 3.562 2.529 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.693 3.542 0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.037 5.255 0.366 1.00 0.00 H new ATOM 0 HG2 LYS A 72 99.023 4.703 1.360 1.00 0.00 H new ATOM 0 HG3 LYS A 72 98.110 4.143 2.748 1.00 0.00 H new ATOM 0 HD2 LYS A 72 98.670 2.393 0.300 1.00 0.00 H new ATOM 0 HD3 LYS A 72 99.693 2.405 1.723 1.00 0.00 H new ATOM 0 HE2 LYS A 72 96.726 1.661 1.626 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.063 0.568 1.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 97.431 1.041 4.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 98.571 2.281 3.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 96.913 2.616 3.693 1.00 0.00 H new ATOM 1130 N LYS A 73 95.966 6.857 2.428 1.00 0.00 N ATOM 1131 CA LYS A 73 96.262 8.022 3.256 1.00 0.00 C ATOM 1132 C LYS A 73 95.216 8.200 4.355 1.00 0.00 C ATOM 1133 O LYS A 73 95.403 8.998 5.273 1.00 0.00 O ATOM 1134 CB LYS A 73 96.320 9.283 2.384 1.00 0.00 C ATOM 1135 CG LYS A 73 97.312 10.282 2.990 1.00 0.00 C ATOM 1136 CD LYS A 73 97.125 11.660 2.339 1.00 0.00 C ATOM 1137 CE LYS A 73 96.074 12.459 3.113 1.00 0.00 C ATOM 1138 NZ LYS A 73 96.661 12.935 4.398 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.658 7.073 1.480 1.00 0.00 H new ATOM 0 HA LYS A 73 97.230 7.862 3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.624 9.023 1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 73 95.330 9.735 2.314 1.00 0.00 H new ATOM 0 HG2 LYS A 73 97.158 10.354 4.067 1.00 0.00 H new ATOM 0 HG3 LYS A 73 98.333 9.933 2.837 1.00 0.00 H new ATOM 0 HD2 LYS A 73 98.072 12.200 2.330 1.00 0.00 H new ATOM 0 HD3 LYS A 73 96.815 11.543 1.301 1.00 0.00 H new ATOM 0 HE2 LYS A 73 95.736 13.308 2.518 1.00 0.00 H new ATOM 0 HE3 LYS A 73 95.200 11.838 3.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 96.122 13.755 4.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 96.619 12.171 5.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 97.652 13.211 4.246 1.00 0.00 H new ATOM 1152 N TYR A 74 94.117 7.457 4.263 1.00 0.00 N ATOM 1153 CA TYR A 74 93.060 7.556 5.267 1.00 0.00 C ATOM 1154 C TYR A 74 93.391 6.687 6.477 1.00 0.00 C ATOM 1155 O TYR A 74 93.460 7.177 7.604 1.00 0.00 O ATOM 1156 CB TYR A 74 91.716 7.122 4.663 1.00 0.00 C ATOM 1157 CG TYR A 74 90.584 7.876 5.329 1.00 0.00 C ATOM 1158 CD1 TYR A 74 90.511 9.271 5.216 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.610 7.183 6.058 1.00 0.00 C ATOM 1160 CE1 TYR A 74 89.465 9.969 5.830 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.565 7.883 6.672 1.00 0.00 C ATOM 1162 CZ TYR A 74 88.492 9.275 6.559 1.00 0.00 C ATOM 1163 OH TYR A 74 87.461 9.964 7.164 1.00 0.00 O ATOM 0 H TYR A 74 93.935 6.788 3.515 1.00 0.00 H new ATOM 0 HA TYR A 74 92.986 8.594 5.591 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.711 7.314 3.590 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.577 6.049 4.796 1.00 0.00 H new ATOM 0 HD1 TYR A 74 91.262 9.807 4.655 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.665 6.108 6.147 1.00 0.00 H new ATOM 0 HE1 TYR A 74 89.408 11.044 5.741 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.814 7.347 7.234 1.00 0.00 H new ATOM 0 HH TYR A 74 87.320 10.816 6.700 1.00 0.00 H new ATOM 1173 N ILE A 75 93.599 5.395 6.234 1.00 0.00 N ATOM 1174 CA ILE A 75 93.930 4.461 7.311 1.00 0.00 C ATOM 1175 C ILE A 75 95.195 3.678 6.962 1.00 0.00 C ATOM 1176 O ILE A 75 95.134 2.493 6.639 1.00 0.00 O ATOM 1177 CB ILE A 75 92.764 3.489 7.538 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.483 4.284 7.829 1.00 0.00 C ATOM 1179 CG2 ILE A 75 93.076 2.579 8.732 1.00 0.00 C ATOM 1180 CD1 ILE A 75 90.257 3.420 7.525 1.00 0.00 C ATOM 0 H ILE A 75 93.545 4.972 5.308 1.00 0.00 H new ATOM 0 HA ILE A 75 94.107 5.029 8.224 1.00 0.00 H new ATOM 0 HB ILE A 75 92.624 2.881 6.644 1.00 0.00 H new ATOM 0 HG12 ILE A 75 91.468 4.598 8.873 1.00 0.00 H new ATOM 0 HG13 ILE A 75 91.460 5.190 7.223 1.00 0.00 H new ATOM 0 HG21 ILE A 75 92.246 1.890 8.891 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.985 2.012 8.530 1.00 0.00 H new ATOM 0 HG23 ILE A 75 93.219 3.187 9.625 1.00 0.00 H new ATOM 0 HD11 ILE A 75 89.351 3.989 7.733 1.00 0.00 H new ATOM 0 HD12 ILE A 75 90.269 3.128 6.475 1.00 0.00 H new ATOM 0 HD13 ILE A 75 90.277 2.527 8.150 1.00 0.00 H new ATOM 1192 N PRO A 76 96.332 4.324 7.016 1.00 0.00 N ATOM 1193 CA PRO A 76 97.643 3.685 6.696 1.00 0.00 C ATOM 1194 C PRO A 76 97.782 2.307 7.337 1.00 0.00 C ATOM 1195 O PRO A 76 97.419 2.113 8.496 1.00 0.00 O ATOM 1196 CB PRO A 76 98.668 4.666 7.268 1.00 0.00 C ATOM 1197 CG PRO A 76 97.996 6.000 7.225 1.00 0.00 C ATOM 1198 CD PRO A 76 96.496 5.740 7.392 1.00 0.00 C ATOM 0 HA PRO A 76 97.767 3.509 5.628 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.945 4.397 8.287 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.585 4.667 6.678 1.00 0.00 H new ATOM 0 HG2 PRO A 76 98.368 6.647 8.020 1.00 0.00 H new ATOM 0 HG3 PRO A 76 98.199 6.506 6.281 1.00 0.00 H new ATOM 0 HD2 PRO A 76 96.172 5.920 8.417 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.904 6.394 6.751 1.00 0.00 H new ATOM 1206 N GLY A 77 98.311 1.356 6.574 1.00 0.00 N ATOM 1207 CA GLY A 77 98.492 -0.006 7.072 1.00 0.00 C ATOM 1208 C GLY A 77 97.479 -0.948 6.436 1.00 0.00 C ATOM 1209 O GLY A 77 97.749 -2.134 6.251 1.00 0.00 O ATOM 0 H GLY A 77 98.621 1.500 5.613 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.503 -0.348 6.852 1.00 0.00 H new ATOM 0 HA3 GLY A 77 98.380 -0.021 8.156 1.00 0.00 H new ATOM 1213 N THR A 78 96.314 -0.407 6.099 1.00 0.00 N ATOM 1214 CA THR A 78 95.263 -1.202 5.476 1.00 0.00 C ATOM 1215 C THR A 78 95.786 -1.881 4.216 1.00 0.00 C ATOM 1216 O THR A 78 96.568 -1.293 3.467 1.00 0.00 O ATOM 1217 CB THR A 78 94.083 -0.303 5.114 1.00 0.00 C ATOM 1218 OG1 THR A 78 93.029 -1.096 4.586 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.533 0.716 4.071 1.00 0.00 C ATOM 0 H THR A 78 96.074 0.573 6.246 1.00 0.00 H new ATOM 0 HA THR A 78 94.939 -1.966 6.183 1.00 0.00 H new ATOM 0 HB THR A 78 93.729 0.218 6.003 1.00 0.00 H new ATOM 0 HG1 THR A 78 92.270 -0.520 4.355 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.695 1.361 3.808 1.00 0.00 H new ATOM 0 HG22 THR A 78 95.343 1.321 4.479 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.883 0.194 3.180 1.00 0.00 H new ATOM 1227 N LYS A 79 95.354 -3.117 3.982 1.00 0.00 N ATOM 1228 CA LYS A 79 95.800 -3.847 2.799 1.00 0.00 C ATOM 1229 C LYS A 79 94.880 -3.554 1.616 1.00 0.00 C ATOM 1230 O LYS A 79 93.881 -4.241 1.404 1.00 0.00 O ATOM 1231 CB LYS A 79 95.817 -5.353 3.091 1.00 0.00 C ATOM 1232 CG LYS A 79 96.917 -6.030 2.269 1.00 0.00 C ATOM 1233 CD LYS A 79 96.682 -5.769 0.779 1.00 0.00 C ATOM 1234 CE LYS A 79 97.573 -6.696 -0.048 1.00 0.00 C ATOM 1235 NZ LYS A 79 97.464 -6.333 -1.490 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.707 -3.627 4.584 1.00 0.00 H new ATOM 0 HA LYS A 79 96.809 -3.521 2.545 1.00 0.00 H new ATOM 0 HB2 LYS A 79 95.987 -5.524 4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 79 94.848 -5.790 2.849 1.00 0.00 H new ATOM 0 HG2 LYS A 79 97.894 -5.647 2.566 1.00 0.00 H new ATOM 0 HG3 LYS A 79 96.922 -7.102 2.464 1.00 0.00 H new ATOM 0 HD2 LYS A 79 95.634 -5.937 0.530 1.00 0.00 H new ATOM 0 HD3 LYS A 79 96.903 -4.728 0.542 1.00 0.00 H new ATOM 0 HE2 LYS A 79 98.609 -6.612 0.282 1.00 0.00 H new ATOM 0 HE3 LYS A 79 97.274 -7.734 0.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 98.070 -6.963 -2.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 96.476 -6.434 -1.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 97.770 -5.348 -1.624 1.00 0.00 H new ATOM 1249 N MET A 80 95.229 -2.528 0.848 1.00 0.00 N ATOM 1250 CA MET A 80 94.435 -2.144 -0.313 1.00 0.00 C ATOM 1251 C MET A 80 95.114 -0.999 -1.058 1.00 0.00 C ATOM 1252 O MET A 80 94.955 0.168 -0.701 1.00 0.00 O ATOM 1253 CB MET A 80 93.034 -1.710 0.131 1.00 0.00 C ATOM 1254 CG MET A 80 92.234 -1.229 -1.082 1.00 0.00 C ATOM 1255 SD MET A 80 90.480 -1.112 -0.641 1.00 0.00 S ATOM 1256 CE MET A 80 90.077 0.316 -1.679 1.00 0.00 C ATOM 0 H MET A 80 96.053 -1.949 1.008 1.00 0.00 H new ATOM 0 HA MET A 80 94.351 -3.003 -0.979 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.520 -2.543 0.611 1.00 0.00 H new ATOM 0 HB3 MET A 80 93.107 -0.912 0.870 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.603 -0.258 -1.412 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.365 -1.920 -1.915 1.00 0.00 H new ATOM 0 HE1 MET A 80 89.072 0.665 -1.443 1.00 0.00 H new ATOM 0 HE2 MET A 80 90.793 1.116 -1.491 1.00 0.00 H new ATOM 0 HE3 MET A 80 90.123 0.027 -2.729 1.00 0.00 H new ATOM 1266 N ILE A 81 95.879 -1.344 -2.090 1.00 0.00 N ATOM 1267 CA ILE A 81 96.588 -0.342 -2.881 1.00 0.00 C ATOM 1268 C ILE A 81 96.346 -0.564 -4.370 1.00 0.00 C ATOM 1269 O ILE A 81 97.065 -1.322 -5.019 1.00 0.00 O ATOM 1270 CB ILE A 81 98.090 -0.415 -2.590 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.341 -0.167 -1.093 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.818 0.648 -3.416 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.293 -1.493 -0.322 1.00 0.00 C ATOM 0 H ILE A 81 96.024 -2.306 -2.397 1.00 0.00 H new ATOM 0 HA ILE A 81 96.211 0.643 -2.607 1.00 0.00 H new ATOM 0 HB ILE A 81 98.464 -1.404 -2.857 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.312 0.309 -0.953 1.00 0.00 H new ATOM 0 HG13 ILE A 81 97.591 0.519 -0.699 1.00 0.00 H new ATOM 0 HG21 ILE A 81 99.887 0.599 -3.211 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.643 0.468 -4.477 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.443 1.636 -3.149 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.472 -1.305 0.737 1.00 0.00 H new ATOM 0 HD12 ILE A 81 97.312 -1.952 -0.448 1.00 0.00 H new ATOM 0 HD13 ILE A 81 99.060 -2.165 -0.706 1.00 0.00 H new ATOM 1285 N PHE A 82 95.329 0.107 -4.903 1.00 0.00 N ATOM 1286 CA PHE A 82 94.992 -0.016 -6.319 1.00 0.00 C ATOM 1287 C PHE A 82 94.947 1.362 -6.973 1.00 0.00 C ATOM 1288 O PHE A 82 95.909 1.790 -7.611 1.00 0.00 O ATOM 1289 CB PHE A 82 93.633 -0.705 -6.473 1.00 0.00 C ATOM 1290 CG PHE A 82 93.167 -0.594 -7.906 1.00 0.00 C ATOM 1291 CD1 PHE A 82 93.920 -1.176 -8.934 1.00 0.00 C ATOM 1292 CD2 PHE A 82 91.984 0.094 -8.210 1.00 0.00 C ATOM 1293 CE1 PHE A 82 93.491 -1.072 -10.262 1.00 0.00 C ATOM 1294 CE2 PHE A 82 91.556 0.198 -9.539 1.00 0.00 C ATOM 1295 CZ PHE A 82 92.309 -0.385 -10.565 1.00 0.00 C ATOM 0 H PHE A 82 94.725 0.740 -4.378 1.00 0.00 H new ATOM 0 HA PHE A 82 95.758 -0.616 -6.810 1.00 0.00 H new ATOM 0 HB2 PHE A 82 93.711 -1.754 -6.186 1.00 0.00 H new ATOM 0 HB3 PHE A 82 92.903 -0.245 -5.806 1.00 0.00 H new ATOM 0 HD1 PHE A 82 94.832 -1.705 -8.701 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.403 0.544 -7.419 1.00 0.00 H new ATOM 0 HE1 PHE A 82 94.072 -1.522 -11.054 1.00 0.00 H new ATOM 0 HE2 PHE A 82 90.645 0.728 -9.773 1.00 0.00 H new ATOM 0 HZ PHE A 82 91.978 -0.305 -11.590 1.00 0.00 H new ATOM 1305 N ALA A 83 93.824 2.053 -6.809 1.00 0.00 N ATOM 1306 CA ALA A 83 93.664 3.381 -7.387 1.00 0.00 C ATOM 1307 C ALA A 83 92.444 4.078 -6.795 1.00 0.00 C ATOM 1308 O ALA A 83 91.306 3.695 -7.065 1.00 0.00 O ATOM 1309 CB ALA A 83 93.507 3.275 -8.904 1.00 0.00 C ATOM 0 H ALA A 83 93.016 1.718 -6.284 1.00 0.00 H new ATOM 0 HA ALA A 83 94.553 3.968 -7.155 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.388 4.272 -9.328 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.393 2.803 -9.329 1.00 0.00 H new ATOM 0 HB3 ALA A 83 92.628 2.674 -9.138 1.00 0.00 H new ATOM 1315 N GLY A 84 92.690 5.108 -5.991 1.00 0.00 N ATOM 1316 CA GLY A 84 91.604 5.854 -5.370 1.00 0.00 C ATOM 1317 C GLY A 84 90.694 6.465 -6.433 1.00 0.00 C ATOM 1318 O GLY A 84 90.439 5.856 -7.470 1.00 0.00 O ATOM 0 H GLY A 84 93.625 5.442 -5.756 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.025 5.194 -4.724 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.012 6.642 -4.737 1.00 0.00 H new ATOM 1322 N ILE A 85 90.213 7.677 -6.167 1.00 0.00 N ATOM 1323 CA ILE A 85 89.336 8.369 -7.109 1.00 0.00 C ATOM 1324 C ILE A 85 89.688 9.856 -7.154 1.00 0.00 C ATOM 1325 O ILE A 85 90.315 10.380 -6.234 1.00 0.00 O ATOM 1326 CB ILE A 85 87.870 8.161 -6.697 1.00 0.00 C ATOM 1327 CG1 ILE A 85 87.358 6.852 -7.314 1.00 0.00 C ATOM 1328 CG2 ILE A 85 87.004 9.323 -7.192 1.00 0.00 C ATOM 1329 CD1 ILE A 85 85.958 6.529 -6.782 1.00 0.00 C ATOM 0 H ILE A 85 90.414 8.198 -5.313 1.00 0.00 H new ATOM 0 HA ILE A 85 89.476 7.957 -8.109 1.00 0.00 H new ATOM 0 HB ILE A 85 87.810 8.116 -5.610 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.331 6.939 -8.400 1.00 0.00 H new ATOM 0 HG13 ILE A 85 88.042 6.037 -7.077 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.969 9.159 -6.891 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.365 10.256 -6.758 1.00 0.00 H new ATOM 0 HG23 ILE A 85 87.061 9.382 -8.279 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.605 5.598 -7.227 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.997 6.421 -5.698 1.00 0.00 H new ATOM 0 HD13 ILE A 85 85.274 7.337 -7.042 1.00 0.00 H new ATOM 1341 N LYS A 86 89.303 10.524 -8.242 1.00 0.00 N ATOM 1342 CA LYS A 86 89.609 11.944 -8.406 1.00 0.00 C ATOM 1343 C LYS A 86 88.367 12.826 -8.260 1.00 0.00 C ATOM 1344 O LYS A 86 88.392 13.813 -7.525 1.00 0.00 O ATOM 1345 CB LYS A 86 90.233 12.176 -9.785 1.00 0.00 C ATOM 1346 CG LYS A 86 91.687 11.690 -9.780 1.00 0.00 C ATOM 1347 CD LYS A 86 92.187 11.536 -11.223 1.00 0.00 C ATOM 1348 CE LYS A 86 91.869 10.128 -11.734 1.00 0.00 C ATOM 1349 NZ LYS A 86 92.869 9.166 -11.192 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.784 10.109 -9.016 1.00 0.00 H new ATOM 0 HA LYS A 86 90.308 12.221 -7.617 1.00 0.00 H new ATOM 0 HB2 LYS A 86 89.664 11.644 -10.547 1.00 0.00 H new ATOM 0 HB3 LYS A 86 90.194 13.235 -10.040 1.00 0.00 H new ATOM 0 HG2 LYS A 86 92.315 12.399 -9.241 1.00 0.00 H new ATOM 0 HG3 LYS A 86 91.760 10.737 -9.256 1.00 0.00 H new ATOM 0 HD2 LYS A 86 91.714 12.281 -11.863 1.00 0.00 H new ATOM 0 HD3 LYS A 86 93.261 11.715 -11.266 1.00 0.00 H new ATOM 0 HE2 LYS A 86 90.865 9.836 -11.427 1.00 0.00 H new ATOM 0 HE3 LYS A 86 91.887 10.112 -12.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 92.783 8.258 -11.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 93.827 9.547 -11.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 92.697 9.021 -10.177 1.00 0.00 H new ATOM 1363 N LYS A 87 87.292 12.493 -8.975 1.00 0.00 N ATOM 1364 CA LYS A 87 86.079 13.306 -8.910 1.00 0.00 C ATOM 1365 C LYS A 87 85.180 12.880 -7.752 1.00 0.00 C ATOM 1366 O LYS A 87 85.270 11.756 -7.256 1.00 0.00 O ATOM 1367 CB LYS A 87 85.301 13.194 -10.223 1.00 0.00 C ATOM 1368 CG LYS A 87 86.231 13.477 -11.409 1.00 0.00 C ATOM 1369 CD LYS A 87 86.474 14.985 -11.534 1.00 0.00 C ATOM 1370 CE LYS A 87 87.158 15.282 -12.870 1.00 0.00 C ATOM 1371 NZ LYS A 87 87.437 16.742 -12.974 1.00 0.00 N1+ ATOM 0 H LYS A 87 87.236 11.684 -9.593 1.00 0.00 H new ATOM 0 HA LYS A 87 86.383 14.340 -8.746 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.871 12.197 -10.317 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.471 13.900 -10.225 1.00 0.00 H new ATOM 0 HG2 LYS A 87 87.179 12.957 -11.271 1.00 0.00 H new ATOM 0 HG3 LYS A 87 85.789 13.094 -12.329 1.00 0.00 H new ATOM 0 HD2 LYS A 87 85.528 15.523 -11.470 1.00 0.00 H new ATOM 0 HD3 LYS A 87 87.096 15.334 -10.709 1.00 0.00 H new ATOM 0 HE2 LYS A 87 88.087 14.717 -12.948 1.00 0.00 H new ATOM 0 HE3 LYS A 87 86.521 14.963 -13.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 87.902 16.943 -13.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 86.543 17.271 -12.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 88.061 17.033 -12.194 1.00 0.00 H new ATOM 1385 N LYS A 88 84.308 13.789 -7.331 1.00 0.00 N ATOM 1386 CA LYS A 88 83.388 13.501 -6.241 1.00 0.00 C ATOM 1387 C LYS A 88 82.323 12.514 -6.703 1.00 0.00 C ATOM 1388 O LYS A 88 82.143 11.458 -6.103 1.00 0.00 O ATOM 1389 CB LYS A 88 82.724 14.796 -5.756 1.00 0.00 C ATOM 1390 CG LYS A 88 81.586 14.472 -4.768 1.00 0.00 C ATOM 1391 CD LYS A 88 80.228 14.576 -5.476 1.00 0.00 C ATOM 1392 CE LYS A 88 79.107 14.614 -4.435 1.00 0.00 C ATOM 1393 NZ LYS A 88 79.188 15.886 -3.663 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.220 14.725 -7.726 1.00 0.00 H new ATOM 0 HA LYS A 88 83.948 13.059 -5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.464 15.434 -5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.330 15.352 -6.607 1.00 0.00 H new ATOM 0 HG2 LYS A 88 81.719 13.468 -4.365 1.00 0.00 H new ATOM 0 HG3 LYS A 88 81.619 15.161 -3.924 1.00 0.00 H new ATOM 0 HD2 LYS A 88 80.196 15.474 -6.092 1.00 0.00 H new ATOM 0 HD3 LYS A 88 80.089 13.726 -6.144 1.00 0.00 H new ATOM 0 HE2 LYS A 88 78.137 14.536 -4.926 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.193 13.761 -3.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 78.243 16.138 -3.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 79.838 15.764 -2.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 79.540 16.645 -4.281 1.00 0.00 H new ATOM 1407 N THR A 89 81.624 12.863 -7.780 1.00 0.00 N ATOM 1408 CA THR A 89 80.582 11.992 -8.312 1.00 0.00 C ATOM 1409 C THR A 89 81.109 10.575 -8.480 1.00 0.00 C ATOM 1410 O THR A 89 80.347 9.611 -8.434 1.00 0.00 O ATOM 1411 CB THR A 89 80.089 12.513 -9.660 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.183 12.601 -10.562 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.459 13.895 -9.480 1.00 0.00 C ATOM 0 H THR A 89 81.758 13.733 -8.296 1.00 0.00 H new ATOM 0 HA THR A 89 79.752 11.984 -7.605 1.00 0.00 H new ATOM 0 HB THR A 89 79.342 11.828 -10.061 1.00 0.00 H new ATOM 0 HG1 THR A 89 80.867 12.934 -11.428 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.108 14.263 -10.444 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.618 13.824 -8.791 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.201 14.584 -9.077 1.00 0.00 H new ATOM 1421 N GLU A 90 82.417 10.450 -8.670 1.00 0.00 N ATOM 1422 CA GLU A 90 83.018 9.136 -8.829 1.00 0.00 C ATOM 1423 C GLU A 90 82.871 8.359 -7.527 1.00 0.00 C ATOM 1424 O GLU A 90 82.536 7.176 -7.530 1.00 0.00 O ATOM 1425 CB GLU A 90 84.501 9.265 -9.201 1.00 0.00 C ATOM 1426 CG GLU A 90 84.647 9.494 -10.705 1.00 0.00 C ATOM 1427 CD GLU A 90 86.080 9.899 -11.036 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.986 9.231 -10.568 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 86.248 10.870 -11.756 1.00 0.00 O ATOM 0 H GLU A 90 83.072 11.231 -8.717 1.00 0.00 H new ATOM 0 HA GLU A 90 82.509 8.604 -9.633 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.950 10.094 -8.654 1.00 0.00 H new ATOM 0 HB3 GLU A 90 85.037 8.362 -8.909 1.00 0.00 H new ATOM 0 HG2 GLU A 90 84.383 8.586 -11.247 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.956 10.272 -11.031 1.00 0.00 H new ATOM 1436 N ARG A 91 83.108 9.044 -6.413 1.00 0.00 N ATOM 1437 CA ARG A 91 82.981 8.416 -5.104 1.00 0.00 C ATOM 1438 C ARG A 91 81.511 8.297 -4.719 1.00 0.00 C ATOM 1439 O ARG A 91 81.051 7.234 -4.312 1.00 0.00 O ATOM 1440 CB ARG A 91 83.706 9.239 -4.036 1.00 0.00 C ATOM 1441 CG ARG A 91 85.074 9.686 -4.552 1.00 0.00 C ATOM 1442 CD ARG A 91 85.790 10.511 -3.474 1.00 0.00 C ATOM 1443 NE ARG A 91 86.323 11.738 -4.054 1.00 0.00 N ATOM 1444 CZ ARG A 91 86.691 12.762 -3.288 1.00 0.00 C ATOM 1445 NH1 ARG A 91 86.586 12.679 -1.990 1.00 0.00 N ATOM 1446 NH2 ARG A 91 87.159 13.849 -3.836 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.386 10.025 -6.390 1.00 0.00 H new ATOM 0 HA ARG A 91 83.430 7.425 -5.162 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.107 10.110 -3.769 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.827 8.646 -3.130 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.675 8.816 -4.817 1.00 0.00 H new ATOM 0 HG3 ARG A 91 84.955 10.279 -5.459 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.096 10.752 -2.669 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.598 9.926 -3.034 1.00 0.00 H new ATOM 0 HE ARG A 91 86.416 11.813 -5.067 1.00 0.00 H new ATOM 0 HH11 ARG A 91 86.221 11.828 -1.561 1.00 0.00 H new ATOM 0 HH12 ARG A 91 86.869 13.465 -1.404 1.00 0.00 H new ATOM 0 HH21 ARG A 91 87.243 13.913 -4.851 1.00 0.00 H new ATOM 0 HH22 ARG A 91 87.441 14.635 -3.250 1.00 0.00 H new ATOM 1460 N GLU A 92 80.782 9.404 -4.839 1.00 0.00 N ATOM 1461 CA GLU A 92 79.366 9.417 -4.491 1.00 0.00 C ATOM 1462 C GLU A 92 78.614 8.344 -5.268 1.00 0.00 C ATOM 1463 O GLU A 92 77.917 7.518 -4.679 1.00 0.00 O ATOM 1464 CB GLU A 92 78.764 10.790 -4.798 1.00 0.00 C ATOM 1465 CG GLU A 92 77.418 10.931 -4.083 1.00 0.00 C ATOM 1466 CD GLU A 92 77.637 11.059 -2.579 1.00 0.00 C ATOM 1467 OE1 GLU A 92 77.820 12.173 -2.118 1.00 0.00 O1- ATOM 1468 OE2 GLU A 92 77.619 10.038 -1.910 1.00 0.00 O ATOM 0 H GLU A 92 81.146 10.297 -5.172 1.00 0.00 H new ATOM 0 HA GLU A 92 79.272 9.210 -3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.444 11.577 -4.473 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.630 10.908 -5.873 1.00 0.00 H new ATOM 0 HG2 GLU A 92 76.888 11.807 -4.457 1.00 0.00 H new ATOM 0 HG3 GLU A 92 76.792 10.065 -4.295 1.00 0.00 H new ATOM 1475 N ASP A 93 78.760 8.354 -6.590 1.00 0.00 N ATOM 1476 CA ASP A 93 78.088 7.362 -7.420 1.00 0.00 C ATOM 1477 C ASP A 93 78.545 5.962 -7.028 1.00 0.00 C ATOM 1478 O ASP A 93 77.731 5.083 -6.750 1.00 0.00 O ATOM 1479 CB ASP A 93 78.399 7.611 -8.897 1.00 0.00 C ATOM 1480 CG ASP A 93 77.948 9.012 -9.295 1.00 0.00 C ATOM 1481 OD1 ASP A 93 77.618 9.782 -8.409 1.00 0.00 O ATOM 1482 OD2 ASP A 93 77.939 9.295 -10.483 1.00 0.00 O1- ATOM 0 H ASP A 93 79.329 9.028 -7.103 1.00 0.00 H new ATOM 0 HA ASP A 93 77.012 7.446 -7.265 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.468 7.500 -9.076 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.894 6.868 -9.514 1.00 0.00 H new ATOM 1487 N LEU A 94 79.859 5.771 -6.997 1.00 0.00 N ATOM 1488 CA LEU A 94 80.428 4.481 -6.625 1.00 0.00 C ATOM 1489 C LEU A 94 79.890 4.040 -5.274 1.00 0.00 C ATOM 1490 O LEU A 94 79.667 2.853 -5.034 1.00 0.00 O ATOM 1491 CB LEU A 94 81.951 4.600 -6.536 1.00 0.00 C ATOM 1492 CG LEU A 94 82.558 3.283 -6.048 1.00 0.00 C ATOM 1493 CD1 LEU A 94 82.069 2.133 -6.926 1.00 0.00 C ATOM 1494 CD2 LEU A 94 84.089 3.371 -6.112 1.00 0.00 C ATOM 0 H LEU A 94 80.547 6.489 -7.224 1.00 0.00 H new ATOM 0 HA LEU A 94 80.154 3.746 -7.382 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.360 4.857 -7.513 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.221 5.407 -5.855 1.00 0.00 H new ATOM 0 HG LEU A 94 82.249 3.101 -5.019 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.504 1.197 -6.575 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.982 2.071 -6.872 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.372 2.309 -7.958 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.522 2.433 -5.764 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.400 3.555 -7.140 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.433 4.187 -5.477 1.00 0.00 H new ATOM 1506 N ILE A 95 79.701 5.009 -4.389 1.00 0.00 N ATOM 1507 CA ILE A 95 79.210 4.722 -3.053 1.00 0.00 C ATOM 1508 C ILE A 95 77.709 4.460 -3.075 1.00 0.00 C ATOM 1509 O ILE A 95 77.193 3.680 -2.276 1.00 0.00 O ATOM 1510 CB ILE A 95 79.541 5.888 -2.117 1.00 0.00 C ATOM 1511 CG1 ILE A 95 81.045 5.848 -1.820 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.741 5.752 -0.813 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.534 7.217 -1.344 1.00 0.00 C ATOM 0 H ILE A 95 79.880 5.996 -4.573 1.00 0.00 H new ATOM 0 HA ILE A 95 79.702 3.822 -2.683 1.00 0.00 H new ATOM 0 HB ILE A 95 79.277 6.837 -2.584 1.00 0.00 H new ATOM 0 HG12 ILE A 95 81.251 5.097 -1.058 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.591 5.552 -2.716 1.00 0.00 H new ATOM 0 HG21 ILE A 95 78.980 6.584 -0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.674 5.762 -1.038 1.00 0.00 H new ATOM 0 HG23 ILE A 95 79.000 4.813 -0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.603 7.170 -1.138 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.346 7.960 -2.119 1.00 0.00 H new ATOM 0 HD13 ILE A 95 81.001 7.498 -0.435 1.00 0.00 H new ATOM 1525 N ALA A 96 77.015 5.106 -4.004 1.00 0.00 N ATOM 1526 CA ALA A 96 75.580 4.917 -4.125 1.00 0.00 C ATOM 1527 C ALA A 96 75.289 3.478 -4.532 1.00 0.00 C ATOM 1528 O ALA A 96 74.306 2.878 -4.092 1.00 0.00 O ATOM 1529 CB ALA A 96 75.013 5.881 -5.167 1.00 0.00 C ATOM 0 H ALA A 96 77.419 5.758 -4.676 1.00 0.00 H new ATOM 0 HA ALA A 96 75.107 5.121 -3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.936 5.733 -5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.215 6.907 -4.861 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.483 5.691 -6.132 1.00 0.00 H new ATOM 1535 N TYR A 97 76.171 2.924 -5.360 1.00 0.00 N ATOM 1536 CA TYR A 97 76.019 1.548 -5.807 1.00 0.00 C ATOM 1537 C TYR A 97 76.383 0.603 -4.669 1.00 0.00 C ATOM 1538 O TYR A 97 75.763 -0.444 -4.493 1.00 0.00 O ATOM 1539 CB TYR A 97 76.921 1.280 -7.014 1.00 0.00 C ATOM 1540 CG TYR A 97 77.004 -0.208 -7.268 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.999 -0.851 -8.002 1.00 0.00 C ATOM 1542 CD2 TYR A 97 78.083 -0.945 -6.766 1.00 0.00 C ATOM 1543 CE1 TYR A 97 76.075 -2.230 -8.235 1.00 0.00 C ATOM 1544 CE2 TYR A 97 78.158 -2.323 -6.999 1.00 0.00 C ATOM 1545 CZ TYR A 97 77.155 -2.965 -7.734 1.00 0.00 C ATOM 1546 OH TYR A 97 77.230 -4.324 -7.963 1.00 0.00 O ATOM 0 H TYR A 97 76.991 3.404 -5.731 1.00 0.00 H new ATOM 0 HA TYR A 97 74.983 1.381 -6.102 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.527 1.787 -7.894 1.00 0.00 H new ATOM 0 HB3 TYR A 97 77.917 1.684 -6.833 1.00 0.00 H new ATOM 0 HD1 TYR A 97 75.165 -0.283 -8.388 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.858 -0.450 -6.199 1.00 0.00 H new ATOM 0 HE1 TYR A 97 75.300 -2.726 -8.801 1.00 0.00 H new ATOM 0 HE2 TYR A 97 78.991 -2.891 -6.611 1.00 0.00 H new ATOM 0 HH TYR A 97 78.167 -4.584 -8.083 1.00 0.00 H new ATOM 1556 N LEU A 98 77.390 0.994 -3.892 1.00 0.00 N ATOM 1557 CA LEU A 98 77.829 0.190 -2.761 1.00 0.00 C ATOM 1558 C LEU A 98 76.674 -0.014 -1.787 1.00 0.00 C ATOM 1559 O LEU A 98 76.435 -1.121 -1.312 1.00 0.00 O ATOM 1560 CB LEU A 98 78.968 0.902 -2.027 1.00 0.00 C ATOM 1561 CG LEU A 98 80.305 0.664 -2.743 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.323 1.710 -2.277 1.00 0.00 C ATOM 1563 CD2 LEU A 98 80.837 -0.732 -2.407 1.00 0.00 C ATOM 0 H LEU A 98 77.914 1.859 -4.026 1.00 0.00 H new ATOM 0 HA LEU A 98 78.173 -0.775 -3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 98 78.762 1.971 -1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.029 0.539 -1.001 1.00 0.00 H new ATOM 0 HG LEU A 98 80.152 0.744 -3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.274 1.544 -2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 98 80.955 2.708 -2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 98 81.466 1.624 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 98 81.786 -0.893 -2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 98 80.987 -0.815 -1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.117 -1.484 -2.732 1.00 0.00 H new ATOM 1575 N LYS A 99 75.975 1.075 -1.482 1.00 0.00 N ATOM 1576 CA LYS A 99 74.855 1.026 -0.549 1.00 0.00 C ATOM 1577 C LYS A 99 73.778 0.054 -1.027 1.00 0.00 C ATOM 1578 O LYS A 99 73.392 -0.862 -0.301 1.00 0.00 O ATOM 1579 CB LYS A 99 74.249 2.422 -0.391 1.00 0.00 C ATOM 1580 CG LYS A 99 75.187 3.302 0.445 1.00 0.00 C ATOM 1581 CD LYS A 99 74.484 4.616 0.801 1.00 0.00 C ATOM 1582 CE LYS A 99 74.430 5.525 -0.430 1.00 0.00 C ATOM 1583 NZ LYS A 99 74.002 6.892 -0.017 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.164 2.001 -1.867 1.00 0.00 H new ATOM 0 HA LYS A 99 75.232 0.676 0.412 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.089 2.872 -1.371 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.274 2.353 0.091 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.479 2.777 1.354 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.101 3.507 -0.112 1.00 0.00 H new ATOM 0 HD2 LYS A 99 73.475 4.414 1.160 1.00 0.00 H new ATOM 0 HD3 LYS A 99 75.016 5.116 1.611 1.00 0.00 H new ATOM 0 HE2 LYS A 99 75.409 5.567 -0.908 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.734 5.120 -1.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 73.594 7.389 -0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 73.289 6.820 0.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 74.825 7.422 0.335 1.00 0.00 H new ATOM 1597 N LYS A 100 73.286 0.267 -2.243 1.00 0.00 N ATOM 1598 CA LYS A 100 72.240 -0.593 -2.793 1.00 0.00 C ATOM 1599 C LYS A 100 72.781 -1.985 -3.110 1.00 0.00 C ATOM 1600 O LYS A 100 72.026 -2.957 -3.154 1.00 0.00 O ATOM 1601 CB LYS A 100 71.666 0.031 -4.068 1.00 0.00 C ATOM 1602 CG LYS A 100 70.329 -0.641 -4.421 1.00 0.00 C ATOM 1603 CD LYS A 100 70.197 -0.776 -5.943 1.00 0.00 C ATOM 1604 CE LYS A 100 70.960 -2.016 -6.423 1.00 0.00 C ATOM 1605 NZ LYS A 100 71.403 -1.812 -7.831 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.589 1.019 -2.862 1.00 0.00 H new ATOM 0 HA LYS A 100 71.455 -0.688 -2.043 1.00 0.00 H new ATOM 0 HB2 LYS A 100 71.519 1.102 -3.925 1.00 0.00 H new ATOM 0 HB3 LYS A 100 72.371 -0.087 -4.891 1.00 0.00 H new ATOM 0 HG2 LYS A 100 70.272 -1.624 -3.954 1.00 0.00 H new ATOM 0 HG3 LYS A 100 69.501 -0.052 -4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 100 69.146 -0.855 -6.220 1.00 0.00 H new ATOM 0 HD3 LYS A 100 70.590 0.116 -6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 100 71.823 -2.196 -5.782 1.00 0.00 H new ATOM 0 HE3 LYS A 100 70.322 -2.897 -6.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 71.921 -2.653 -8.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 70.572 -1.660 -8.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 72.026 -0.981 -7.882 1.00 0.00 H new ATOM 1619 N ALA A 101 74.086 -2.078 -3.333 1.00 0.00 N ATOM 1620 CA ALA A 101 74.707 -3.359 -3.652 1.00 0.00 C ATOM 1621 C ALA A 101 75.071 -4.118 -2.380 1.00 0.00 C ATOM 1622 O ALA A 101 75.172 -5.344 -2.387 1.00 0.00 O ATOM 1623 CB ALA A 101 75.968 -3.133 -4.489 1.00 0.00 C ATOM 0 H ALA A 101 74.731 -1.289 -3.300 1.00 0.00 H new ATOM 0 HA ALA A 101 73.991 -3.953 -4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.426 -4.094 -4.723 1.00 0.00 H new ATOM 0 HB2 ALA A 101 75.704 -2.622 -5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.674 -2.522 -3.926 1.00 0.00 H new ATOM 1629 N THR A 102 75.262 -3.382 -1.292 1.00 0.00 N ATOM 1630 CA THR A 102 75.615 -3.994 -0.015 1.00 0.00 C ATOM 1631 C THR A 102 74.355 -4.306 0.778 1.00 0.00 C ATOM 1632 O THR A 102 74.418 -4.790 1.910 1.00 0.00 O ATOM 1633 CB THR A 102 76.508 -3.045 0.788 1.00 0.00 C ATOM 1634 OG1 THR A 102 75.887 -1.770 0.870 1.00 0.00 O ATOM 1635 CG2 THR A 102 77.868 -2.909 0.097 1.00 0.00 C ATOM 0 H THR A 102 75.179 -2.366 -1.267 1.00 0.00 H new ATOM 0 HA THR A 102 76.156 -4.921 -0.205 1.00 0.00 H new ATOM 0 HB THR A 102 76.653 -3.445 1.791 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.330 -1.150 0.254 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.502 -2.233 0.671 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.344 -3.888 0.035 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.727 -2.510 -0.907 1.00 0.00 H new ATOM 1643 N ASN A 103 73.211 -4.022 0.168 1.00 0.00 N ATOM 1644 CA ASN A 103 71.923 -4.267 0.803 1.00 0.00 C ATOM 1645 C ASN A 103 71.257 -5.489 0.181 1.00 0.00 C ATOM 1646 O ASN A 103 70.401 -6.127 0.796 1.00 0.00 O ATOM 1647 CB ASN A 103 71.026 -3.043 0.621 1.00 0.00 C ATOM 1648 CG ASN A 103 71.397 -1.966 1.631 1.00 0.00 C ATOM 1649 OD1 ASN A 103 72.616 -1.909 2.088 1.00 0.00 O flip ATOM 1650 ND2 ASN A 103 70.555 -1.154 2.014 1.00 0.00 N flip ATOM 0 H ASN A 103 73.149 -3.621 -0.768 1.00 0.00 H new ATOM 0 HA ASN A 103 72.077 -4.452 1.866 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.130 -2.654 -0.392 1.00 0.00 H new ATOM 0 HB3 ASN A 103 69.981 -3.326 0.748 1.00 0.00 H new ATOM 0 HD21 ASN A 103 69.601 -1.200 1.655 1.00 0.00 H new ATOM 0 HD22 ASN A 103 70.811 -0.435 2.690 1.00 0.00 H new ATOM 1657 N GLU A 104 71.660 -5.808 -1.045 1.00 0.00 N ATOM 1658 CA GLU A 104 71.102 -6.956 -1.754 1.00 0.00 C ATOM 1659 C GLU A 104 72.151 -7.579 -2.670 1.00 0.00 C ATOM 1660 O GLU A 104 73.141 -6.918 -2.939 1.00 0.00 O ATOM 1661 CB GLU A 104 69.892 -6.523 -2.583 1.00 0.00 C ATOM 1662 CG GLU A 104 70.253 -5.283 -3.408 1.00 0.00 C ATOM 1663 CD GLU A 104 69.264 -5.114 -4.557 1.00 0.00 C ATOM 1664 OE1 GLU A 104 68.238 -4.489 -4.342 1.00 0.00 O ATOM 1665 OE2 GLU A 104 69.547 -5.610 -5.634 1.00 0.00 O1- ATOM 1666 OXT GLU A 104 71.949 -8.707 -3.089 1.00 0.00 O ATOM 0 H GLU A 104 72.368 -5.291 -1.567 1.00 0.00 H new ATOM 0 HA GLU A 104 70.790 -7.697 -1.018 1.00 0.00 H new ATOM 0 HB2 GLU A 104 69.581 -7.333 -3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 104 69.049 -6.304 -1.928 1.00 0.00 H new ATOM 0 HG2 GLU A 104 70.240 -4.397 -2.773 1.00 0.00 H new ATOM 0 HG3 GLU A 104 71.265 -5.379 -3.800 1.00 0.00 H new TER 1673 GLU A 104 HETATM 1674 FE HEC A 201 88.918 -2.782 -0.904 1.00 0.00 FE HETATM 1675 CHA HEC A 201 89.087 -3.358 2.428 1.00 0.00 C HETATM 1676 CHB HEC A 201 86.342 -0.645 -0.406 1.00 0.00 C HETATM 1677 CHC HEC A 201 88.850 -2.099 -4.216 1.00 0.00 C HETATM 1678 CHD HEC A 201 91.333 -5.094 -1.428 1.00 0.00 C HETATM 1679 NA HEC A 201 87.947 -2.127 0.666 1.00 0.00 N HETATM 1680 C1A HEC A 201 88.155 -2.450 1.990 1.00 0.00 C HETATM 1681 C2A HEC A 201 87.233 -1.756 2.858 1.00 0.00 C HETATM 1682 C3A HEC A 201 86.440 -1.008 2.053 1.00 0.00 C HETATM 1683 C4A HEC A 201 86.889 -1.244 0.701 1.00 0.00 C HETATM 1684 CMA HEC A 201 85.318 -0.118 2.477 1.00 0.00 C HETATM 1685 CAA HEC A 201 87.177 -1.832 4.349 1.00 0.00 C HETATM 1686 CBA HEC A 201 86.242 -2.935 4.850 1.00 0.00 C HETATM 1687 CGA HEC A 201 85.965 -2.750 6.339 1.00 0.00 C HETATM 1688 O1A HEC A 201 84.832 -2.454 6.679 1.00 0.00 O HETATM 1689 O2A HEC A 201 86.892 -2.905 7.117 1.00 0.00 O HETATM 1690 NB HEC A 201 87.848 -1.612 -2.054 1.00 0.00 N HETATM 1691 C1B HEC A 201 86.780 -0.817 -1.694 1.00 0.00 C HETATM 1692 C2B HEC A 201 86.195 -0.162 -2.838 1.00 0.00 C HETATM 1693 C3B HEC A 201 86.932 -0.536 -3.914 1.00 0.00 C HETATM 1694 C4B HEC A 201 87.947 -1.440 -3.417 1.00 0.00 C HETATM 1695 CMB HEC A 201 84.963 0.679 -2.846 1.00 0.00 C HETATM 1696 CAB HEC A 201 86.737 -0.092 -5.332 1.00 0.00 C HETATM 1697 CBB HEC A 201 86.988 1.410 -5.533 1.00 0.00 C HETATM 1698 NC HEC A 201 89.886 -3.439 -2.473 1.00 0.00 N HETATM 1699 C1C HEC A 201 89.753 -3.033 -3.783 1.00 0.00 C HETATM 1700 C2C HEC A 201 90.634 -3.764 -4.658 1.00 0.00 C HETATM 1701 C3C HEC A 201 91.305 -4.647 -3.882 1.00 0.00 C HETATM 1702 C4C HEC A 201 90.847 -4.427 -2.527 1.00 0.00 C HETATM 1703 CMC HEC A 201 90.797 -3.561 -6.127 1.00 0.00 C HETATM 1704 CAC HEC A 201 92.263 -5.698 -4.348 1.00 0.00 C HETATM 1705 CBC HEC A 201 93.485 -5.121 -5.077 1.00 0.00 C HETATM 1706 ND HEC A 201 89.978 -3.961 0.245 1.00 0.00 N HETATM 1707 C1D HEC A 201 90.936 -4.878 -0.133 1.00 0.00 C HETATM 1708 C2D HEC A 201 91.493 -5.563 1.005 1.00 0.00 C HETATM 1709 C3D HEC A 201 90.875 -5.062 2.099 1.00 0.00 C HETATM 1710 C4D HEC A 201 89.937 -4.072 1.619 1.00 0.00 C HETATM 1711 CMD HEC A 201 92.545 -6.619 0.980 1.00 0.00 C HETATM 1712 CAD HEC A 201 91.115 -5.458 3.521 1.00 0.00 C HETATM 1713 CBD HEC A 201 92.315 -4.723 4.153 1.00 0.00 C HETATM 1714 CGD HEC A 201 91.847 -3.787 5.264 1.00 0.00 C HETATM 1715 O1D HEC A 201 90.774 -3.225 5.127 1.00 0.00 O HETATM 1716 O2D HEC A 201 92.572 -3.647 6.236 1.00 0.00 O HETATM 0 HMD3 HEC A 201 92.194 -7.468 0.393 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 93.453 -6.217 0.530 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 92.758 -6.945 1.998 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 89.842 -3.729 -6.626 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 91.132 -2.542 -6.318 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 91.536 -4.264 -6.512 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 84.115 0.085 -2.505 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 85.100 1.531 -2.181 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 84.773 1.036 -3.858 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 84.563 -0.707 2.998 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 85.699 0.655 3.144 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 84.872 0.349 1.599 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 93.022 -5.449 4.555 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 92.843 -4.153 3.388 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 93.156 -4.563 -5.954 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 94.028 -4.455 -4.406 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 94.140 -5.934 -5.389 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 86.298 1.981 -4.911 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 88.013 1.648 -5.251 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 86.831 1.668 -6.580 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 85.306 -2.910 4.292 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 86.692 -3.912 4.674 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 90.219 -5.252 4.107 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 91.287 -6.533 3.570 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 88.180 -2.008 4.738 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 86.845 -0.872 4.745 1.00 0.00 H new HETATM 0 HHD HEC A 201 92.094 -5.855 -1.599 1.00 0.00 H new HETATM 0 HHC HEC A 201 88.847 -1.859 -5.279 1.00 0.00 H new HETATM 0 HHB HEC A 201 85.493 0.020 -0.249 1.00 0.00 H new HETATM 0 HHA HEC A 201 89.158 -3.526 3.503 1.00 0.00 H new HETATM 1749 O HOH A 301 82.967 3.074 -0.849 1.00 0.00 O HETATM 1752 O HOH A 302 86.342 5.899 6.146 1.00 0.00 O HETATM 1755 O HOH A 303 83.705 -5.491 5.073 1.00 0.00 O HETATM 1758 O HOH A 304 83.815 -9.878 0.277 1.00 0.00 O