USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=27 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 -108:sc= 0.539 USER MOD Set 1.2: A 103 ASN : amide:sc= -6.26! K(o=-5.7!,f=-1.7) USER MOD Set 2.1: A 39 LYS NZ :NH3+ 170:sc= 0.629! (180deg=0) USER MOD Set 2.2: A 58 THR OG1 : rot 175:sc= 0.87 USER MOD Set 3.1: A 52 ASN : amide:sc= -1.69 K(o=-1.7,f=-5.8!) USER MOD Set 3.2: A 78 THR OG1 : rot 180:sc= -0.0348 USER MOD Set 4.1: A 31 ASN : amide:sc= -14.5! C(o=-26!,f=-32!) USER MOD Set 4.2: A 33 HIS : no HD1:sc= -12! C(o=-26!,f=-37!) USER MOD Single : A 1 GLY N :NH3+ -142:sc= -1.85 (180deg=-5.01!) USER MOD Single : A 5 LYS NZ :NH3+ -123:sc= 0.158 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -6.03! C(o=-6!,f=-5.9!) USER MOD Single : A 13 LYS NZ :NH3+ -106:sc= 0.855 (180deg=-0.208) USER MOD Single : A 16 GLN : amide:sc= 0.00891 K(o=0.0089,f=0.69) USER MOD Single : A 19 THR OG1 : rot 152:sc= 1.12 USER MOD Single : A 22 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.137) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0.737 K(o=0.74,f=-3.1!) 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 140:sc= -0.778 USER MOD Single : A 42 GLN : amide:sc= -4.61! K(o=-4.6!,f=-0.3) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -116:sc= -2 USER MOD Single : A 49 THR OG1 : rot -73:sc= -0.0183 USER MOD Single : A 53 LYS NZ :NH3+ -166:sc= -0.273 (180deg=-1.11) USER MOD Single : A 54 ASN : amide:sc= -9.73! C(o=-9.7!,f=-4.3!) USER MOD Single : A 55 LYS NZ :NH3+ 158:sc= -0.331 (180deg=-0.588) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 80:sc= -2.67! USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -140:sc= 1.41 USER MOD Single : A 70 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.29) USER MOD Single : A 72 LYS NZ :NH3+ -151:sc= -2.93! (180deg=-4.92!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 28:sc= 0.215 USER MOD Single : A 79 LYS NZ :NH3+ -160:sc= -0.147 (180deg=-1.02) USER MOD Single : A 80 MET CE :methyl -171:sc= -2.07 (180deg=-2.88) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -162:sc=-0.00748 (180deg=-0.234) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 147:sc= 0.047 USER MOD Single : A 99 LYS NZ :NH3+ -134:sc= 1.06 (180deg=-0.49) USER MOD Single : A 100 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.03) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 75.288 9.211 -6.543 1.00 0.00 N ATOM 2 CA GLY A 1 74.339 10.128 -7.237 1.00 0.00 C ATOM 3 C GLY A 1 73.710 9.409 -8.425 1.00 0.00 C ATOM 4 O GLY A 1 72.693 9.850 -8.961 1.00 0.00 O ATOM 0 H1 GLY A 1 75.225 9.359 -5.515 1.00 0.00 H new ATOM 0 H2 GLY A 1 75.044 8.225 -6.767 1.00 0.00 H new ATOM 0 H3 GLY A 1 76.258 9.409 -6.862 1.00 0.00 H new ATOM 0 HA2 GLY A 1 73.563 10.456 -6.545 1.00 0.00 H new ATOM 0 HA3 GLY A 1 74.863 11.022 -7.576 1.00 0.00 H new ATOM 10 N ASP A 2 74.320 8.300 -8.833 1.00 0.00 N ATOM 11 CA ASP A 2 73.811 7.529 -9.961 1.00 0.00 C ATOM 12 C ASP A 2 74.200 6.063 -9.831 1.00 0.00 C ATOM 13 O ASP A 2 75.236 5.639 -10.339 1.00 0.00 O ATOM 14 CB ASP A 2 74.366 8.088 -11.270 1.00 0.00 C ATOM 15 CG ASP A 2 73.985 9.558 -11.414 1.00 0.00 C ATOM 16 OD1 ASP A 2 72.830 9.824 -11.702 1.00 0.00 O ATOM 17 OD2 ASP A 2 74.854 10.394 -11.232 1.00 0.00 O1- ATOM 0 H ASP A 2 75.162 7.918 -8.402 1.00 0.00 H new ATOM 0 HA ASP A 2 72.724 7.606 -9.963 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.451 7.982 -11.289 1.00 0.00 H new ATOM 0 HB3 ASP A 2 73.975 7.518 -12.113 1.00 0.00 H new ATOM 22 N VAL A 3 73.357 5.294 -9.153 1.00 0.00 N ATOM 23 CA VAL A 3 73.617 3.875 -8.967 1.00 0.00 C ATOM 24 C VAL A 3 74.009 3.234 -10.294 1.00 0.00 C ATOM 25 O VAL A 3 74.606 2.157 -10.325 1.00 0.00 O ATOM 26 CB VAL A 3 72.368 3.188 -8.406 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.169 3.472 -9.312 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.603 1.677 -8.331 1.00 0.00 C ATOM 0 H VAL A 3 72.493 5.628 -8.726 1.00 0.00 H new ATOM 0 HA VAL A 3 74.440 3.756 -8.262 1.00 0.00 H new ATOM 0 HB VAL A 3 72.165 3.575 -7.408 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.284 2.981 -8.908 1.00 0.00 H new ATOM 0 HG12 VAL A 3 70.997 4.547 -9.361 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.371 3.090 -10.313 1.00 0.00 H new ATOM 0 HG21 VAL A 3 71.713 1.190 -7.932 1.00 0.00 H new ATOM 0 HG22 VAL A 3 72.811 1.291 -9.329 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.452 1.473 -7.679 1.00 0.00 H new ATOM 38 N GLU A 4 73.671 3.905 -11.393 1.00 0.00 N ATOM 39 CA GLU A 4 73.993 3.388 -12.719 1.00 0.00 C ATOM 40 C GLU A 4 75.489 3.499 -12.989 1.00 0.00 C ATOM 41 O GLU A 4 76.162 2.498 -13.238 1.00 0.00 O ATOM 42 CB GLU A 4 73.222 4.168 -13.787 1.00 0.00 C ATOM 43 CG GLU A 4 71.723 4.087 -13.498 1.00 0.00 C ATOM 44 CD GLU A 4 70.941 4.792 -14.602 1.00 0.00 C ATOM 45 OE1 GLU A 4 71.057 6.002 -14.702 1.00 0.00 O1- ATOM 46 OE2 GLU A 4 70.239 4.111 -15.331 1.00 0.00 O ATOM 0 H GLU A 4 73.179 4.799 -11.392 1.00 0.00 H new ATOM 0 HA GLU A 4 73.705 2.338 -12.757 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.545 5.209 -13.796 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.435 3.760 -14.775 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.413 3.044 -13.430 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.504 4.548 -12.535 1.00 0.00 H new ATOM 53 N LYS A 5 76.008 4.720 -12.930 1.00 0.00 N ATOM 54 CA LYS A 5 77.428 4.939 -13.164 1.00 0.00 C ATOM 55 C LYS A 5 78.232 4.412 -11.986 1.00 0.00 C ATOM 56 O LYS A 5 79.428 4.148 -12.104 1.00 0.00 O ATOM 57 CB LYS A 5 77.708 6.431 -13.361 1.00 0.00 C ATOM 58 CG LYS A 5 77.266 6.854 -14.766 1.00 0.00 C ATOM 59 CD LYS A 5 77.258 8.386 -14.870 1.00 0.00 C ATOM 60 CE LYS A 5 75.885 8.926 -14.460 1.00 0.00 C ATOM 61 NZ LYS A 5 75.980 10.393 -14.217 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.473 5.564 -12.725 1.00 0.00 H new ATOM 0 HA LYS A 5 77.723 4.404 -14.067 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.175 7.014 -12.610 1.00 0.00 H new ATOM 0 HB3 LYS A 5 78.771 6.633 -13.226 1.00 0.00 H new ATOM 0 HG2 LYS A 5 77.941 6.433 -15.511 1.00 0.00 H new ATOM 0 HG3 LYS A 5 76.272 6.461 -14.978 1.00 0.00 H new ATOM 0 HD2 LYS A 5 78.031 8.807 -14.228 1.00 0.00 H new ATOM 0 HD3 LYS A 5 77.489 8.692 -15.890 1.00 0.00 H new ATOM 0 HE2 LYS A 5 75.154 8.723 -15.243 1.00 0.00 H new ATOM 0 HE3 LYS A 5 75.537 8.419 -13.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 75.662 10.606 -13.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 76.967 10.701 -14.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 75.378 10.897 -14.898 1.00 0.00 H new ATOM 75 N GLY A 6 77.560 4.243 -10.854 1.00 0.00 N ATOM 76 CA GLY A 6 78.220 3.722 -9.669 1.00 0.00 C ATOM 77 C GLY A 6 78.552 2.255 -9.884 1.00 0.00 C ATOM 78 O GLY A 6 79.592 1.765 -9.441 1.00 0.00 O ATOM 0 H GLY A 6 76.570 4.457 -10.734 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.130 4.287 -9.467 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.574 3.837 -8.799 1.00 0.00 H new ATOM 82 N LYS A 7 77.660 1.567 -10.587 1.00 0.00 N ATOM 83 CA LYS A 7 77.858 0.159 -10.886 1.00 0.00 C ATOM 84 C LYS A 7 78.995 -0.004 -11.888 1.00 0.00 C ATOM 85 O LYS A 7 79.836 -0.888 -11.744 1.00 0.00 O ATOM 86 CB LYS A 7 76.573 -0.437 -11.466 1.00 0.00 C ATOM 87 CG LYS A 7 76.714 -1.959 -11.576 1.00 0.00 C ATOM 88 CD LYS A 7 75.642 -2.513 -12.526 1.00 0.00 C ATOM 89 CE LYS A 7 76.154 -2.473 -13.969 1.00 0.00 C ATOM 90 NZ LYS A 7 74.997 -2.512 -14.907 1.00 0.00 N1+ ATOM 0 H LYS A 7 76.796 1.962 -10.958 1.00 0.00 H new ATOM 0 HA LYS A 7 78.113 -0.365 -9.965 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.724 -0.186 -10.830 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.373 -0.009 -12.448 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.707 -2.216 -11.944 1.00 0.00 H new ATOM 0 HG3 LYS A 7 76.611 -2.415 -10.591 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.391 -3.537 -12.248 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.728 -1.926 -12.439 1.00 0.00 H new ATOM 0 HE2 LYS A 7 76.739 -1.568 -14.134 1.00 0.00 H new ATOM 0 HE3 LYS A 7 76.816 -3.319 -14.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 75.344 -2.485 -15.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 74.456 -3.387 -14.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 74.382 -1.691 -14.734 1.00 0.00 H new ATOM 104 N LYS A 8 79.012 0.854 -12.905 1.00 0.00 N ATOM 105 CA LYS A 8 80.052 0.789 -13.926 1.00 0.00 C ATOM 106 C LYS A 8 81.438 0.949 -13.303 1.00 0.00 C ATOM 107 O LYS A 8 82.348 0.150 -13.551 1.00 0.00 O ATOM 108 CB LYS A 8 79.821 1.889 -14.967 1.00 0.00 C ATOM 109 CG LYS A 8 80.938 1.858 -16.025 1.00 0.00 C ATOM 110 CD LYS A 8 81.964 2.963 -15.742 1.00 0.00 C ATOM 111 CE LYS A 8 81.463 4.293 -16.314 1.00 0.00 C ATOM 112 NZ LYS A 8 82.483 5.352 -16.078 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.325 1.595 -13.043 1.00 0.00 H new ATOM 0 HA LYS A 8 80.003 -0.187 -14.408 1.00 0.00 H new ATOM 0 HB2 LYS A 8 78.852 1.750 -15.446 1.00 0.00 H new ATOM 0 HB3 LYS A 8 79.798 2.863 -14.479 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.429 0.885 -16.018 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.512 1.993 -17.019 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.125 3.056 -14.668 1.00 0.00 H new ATOM 0 HD3 LYS A 8 82.924 2.703 -16.187 1.00 0.00 H new ATOM 0 HE2 LYS A 8 81.269 4.192 -17.382 1.00 0.00 H new ATOM 0 HE3 LYS A 8 80.520 4.571 -15.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 82.143 6.255 -16.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 82.647 5.455 -15.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 83.373 5.087 -16.546 1.00 0.00 H new ATOM 126 N ILE A 9 81.596 1.986 -12.491 1.00 0.00 N ATOM 127 CA ILE A 9 82.872 2.243 -11.843 1.00 0.00 C ATOM 128 C ILE A 9 83.218 1.125 -10.868 1.00 0.00 C ATOM 129 O ILE A 9 84.386 0.897 -10.571 1.00 0.00 O ATOM 130 CB ILE A 9 82.812 3.573 -11.091 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.518 4.704 -12.079 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.155 3.833 -10.404 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.140 5.970 -11.307 1.00 0.00 C ATOM 0 H ILE A 9 80.861 2.658 -12.267 1.00 0.00 H new ATOM 0 HA ILE A 9 83.644 2.289 -12.611 1.00 0.00 H new ATOM 0 HB ILE A 9 82.023 3.530 -10.341 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.392 4.893 -12.703 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.706 4.416 -12.747 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.112 4.781 -9.868 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.366 3.028 -9.700 1.00 0.00 H new ATOM 0 HG23 ILE A 9 84.945 3.876 -11.154 1.00 0.00 H new ATOM 0 HD11 ILE A 9 81.930 6.776 -12.010 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.254 5.777 -10.702 1.00 0.00 H new ATOM 0 HD13 ILE A 9 82.966 6.261 -10.658 1.00 0.00 H new ATOM 145 N PHE A 10 82.196 0.444 -10.361 1.00 0.00 N ATOM 146 CA PHE A 10 82.410 -0.634 -9.397 1.00 0.00 C ATOM 147 C PHE A 10 82.903 -1.915 -10.074 1.00 0.00 C ATOM 148 O PHE A 10 83.905 -2.497 -9.656 1.00 0.00 O ATOM 149 CB PHE A 10 81.102 -0.916 -8.645 1.00 0.00 C ATOM 150 CG PHE A 10 81.092 -2.341 -8.142 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.614 -3.367 -8.964 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.568 -2.635 -6.859 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.610 -4.688 -8.505 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.563 -3.957 -6.398 1.00 0.00 C ATOM 155 CZ PHE A 10 81.085 -4.984 -7.223 1.00 0.00 C ATOM 0 H PHE A 10 81.219 0.616 -10.598 1.00 0.00 H new ATOM 0 HA PHE A 10 83.182 -0.311 -8.699 1.00 0.00 H new ATOM 0 HB2 PHE A 10 80.998 -0.225 -7.808 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.250 -0.748 -9.304 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.248 -3.139 -9.954 1.00 0.00 H new ATOM 0 HD2 PHE A 10 81.939 -1.843 -6.225 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.240 -5.479 -9.140 1.00 0.00 H new ATOM 0 HE2 PHE A 10 81.927 -4.185 -5.407 1.00 0.00 H new ATOM 0 HZ PHE A 10 81.083 -6.004 -6.869 1.00 0.00 H new ATOM 165 N VAL A 11 82.187 -2.361 -11.103 1.00 0.00 N ATOM 166 CA VAL A 11 82.563 -3.588 -11.801 1.00 0.00 C ATOM 167 C VAL A 11 84.008 -3.529 -12.265 1.00 0.00 C ATOM 168 O VAL A 11 84.676 -4.556 -12.378 1.00 0.00 O ATOM 169 CB VAL A 11 81.658 -3.816 -13.011 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.227 -4.055 -12.539 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.693 -2.587 -13.917 1.00 0.00 C ATOM 0 H VAL A 11 81.354 -1.899 -11.468 1.00 0.00 H new ATOM 0 HA VAL A 11 82.448 -4.414 -11.099 1.00 0.00 H new ATOM 0 HB VAL A 11 82.010 -4.686 -13.565 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.582 -4.218 -13.402 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.199 -4.933 -11.894 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.877 -3.185 -11.983 1.00 0.00 H new ATOM 0 HG21 VAL A 11 81.047 -2.752 -14.779 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.343 -1.716 -13.363 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.714 -2.414 -14.257 1.00 0.00 H new ATOM 181 N GLN A 12 84.477 -2.327 -12.559 1.00 0.00 N ATOM 182 CA GLN A 12 85.847 -2.165 -13.041 1.00 0.00 C ATOM 183 C GLN A 12 86.825 -1.793 -11.924 1.00 0.00 C ATOM 184 O GLN A 12 88.031 -1.986 -12.073 1.00 0.00 O ATOM 185 CB GLN A 12 85.895 -1.095 -14.137 1.00 0.00 C ATOM 186 CG GLN A 12 85.331 0.236 -13.614 1.00 0.00 C ATOM 187 CD GLN A 12 84.633 0.982 -14.744 1.00 0.00 C ATOM 188 OE1 GLN A 12 84.862 2.176 -14.935 1.00 0.00 O ATOM 189 NE2 GLN A 12 83.791 0.346 -15.509 1.00 0.00 N ATOM 0 H GLN A 12 83.944 -1.461 -12.476 1.00 0.00 H new ATOM 0 HA GLN A 12 86.158 -3.130 -13.441 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.923 -0.955 -14.472 1.00 0.00 H new ATOM 0 HB3 GLN A 12 85.320 -1.426 -15.002 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.629 0.049 -12.801 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.136 0.847 -13.206 1.00 0.00 H new ATOM 0 HE21 GLN A 12 83.603 -0.644 -15.348 1.00 0.00 H new ATOM 0 HE22 GLN A 12 83.320 0.838 -16.268 1.00 0.00 H new ATOM 198 N LYS A 13 86.322 -1.238 -10.822 1.00 0.00 N ATOM 199 CA LYS A 13 87.209 -0.830 -9.726 1.00 0.00 C ATOM 200 C LYS A 13 87.236 -1.818 -8.557 1.00 0.00 C ATOM 201 O LYS A 13 88.280 -2.387 -8.250 1.00 0.00 O ATOM 202 CB LYS A 13 86.797 0.547 -9.194 1.00 0.00 C ATOM 203 CG LYS A 13 87.176 1.633 -10.210 1.00 0.00 C ATOM 204 CD LYS A 13 88.600 2.134 -9.932 1.00 0.00 C ATOM 205 CE LYS A 13 88.642 2.896 -8.600 1.00 0.00 C ATOM 206 NZ LYS A 13 89.284 4.224 -8.808 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.330 -1.062 -10.663 1.00 0.00 H new ATOM 0 HA LYS A 13 88.212 -0.801 -10.153 1.00 0.00 H new ATOM 0 HB2 LYS A 13 85.723 0.569 -9.009 1.00 0.00 H new ATOM 0 HB3 LYS A 13 87.289 0.741 -8.241 1.00 0.00 H new ATOM 0 HG2 LYS A 13 87.113 1.234 -11.222 1.00 0.00 H new ATOM 0 HG3 LYS A 13 86.471 2.462 -10.149 1.00 0.00 H new ATOM 0 HD2 LYS A 13 89.290 1.291 -9.899 1.00 0.00 H new ATOM 0 HD3 LYS A 13 88.929 2.784 -10.742 1.00 0.00 H new ATOM 0 HE2 LYS A 13 87.632 3.025 -8.211 1.00 0.00 H new ATOM 0 HE3 LYS A 13 89.199 2.323 -7.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 90.243 4.213 -8.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 89.339 4.427 -9.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 88.719 4.960 -8.338 1.00 0.00 H new ATOM 220 N CYS A 14 86.109 -1.958 -7.862 1.00 0.00 N ATOM 221 CA CYS A 14 86.055 -2.814 -6.671 1.00 0.00 C ATOM 222 C CYS A 14 85.758 -4.284 -6.963 1.00 0.00 C ATOM 223 O CYS A 14 86.285 -5.162 -6.281 1.00 0.00 O ATOM 224 CB CYS A 14 85.010 -2.257 -5.701 1.00 0.00 C ATOM 225 SG CYS A 14 84.902 -0.453 -5.893 1.00 0.00 S ATOM 0 H CYS A 14 85.229 -1.498 -8.096 1.00 0.00 H new ATOM 0 HA CYS A 14 87.053 -2.796 -6.233 1.00 0.00 H new ATOM 0 HB2 CYS A 14 84.039 -2.712 -5.895 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.280 -2.508 -4.675 1.00 0.00 H new ATOM 230 N ALA A 15 84.917 -4.569 -7.943 1.00 0.00 N ATOM 231 CA ALA A 15 84.588 -5.961 -8.236 1.00 0.00 C ATOM 232 C ALA A 15 85.853 -6.814 -8.307 1.00 0.00 C ATOM 233 O ALA A 15 85.816 -8.017 -8.050 1.00 0.00 O ATOM 234 CB ALA A 15 83.831 -6.057 -9.558 1.00 0.00 C ATOM 0 H ALA A 15 84.458 -3.879 -8.537 1.00 0.00 H new ATOM 0 HA ALA A 15 83.957 -6.337 -7.430 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.591 -7.100 -9.765 1.00 0.00 H new ATOM 0 HB2 ALA A 15 82.909 -5.479 -9.492 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.451 -5.661 -10.362 1.00 0.00 H new ATOM 240 N GLN A 16 86.968 -6.184 -8.655 1.00 0.00 N ATOM 241 CA GLN A 16 88.237 -6.896 -8.759 1.00 0.00 C ATOM 242 C GLN A 16 88.501 -7.754 -7.521 1.00 0.00 C ATOM 243 O GLN A 16 88.579 -8.979 -7.617 1.00 0.00 O ATOM 244 CB GLN A 16 89.380 -5.898 -8.944 1.00 0.00 C ATOM 245 CG GLN A 16 89.366 -5.360 -10.376 1.00 0.00 C ATOM 246 CD GLN A 16 90.425 -4.275 -10.537 1.00 0.00 C ATOM 247 OE1 GLN A 16 90.097 -3.092 -10.615 1.00 0.00 O ATOM 248 NE2 GLN A 16 91.685 -4.610 -10.591 1.00 0.00 N ATOM 0 H GLN A 16 87.021 -5.188 -8.869 1.00 0.00 H new ATOM 0 HA GLN A 16 88.180 -7.556 -9.624 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.277 -5.076 -8.235 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.335 -6.381 -8.736 1.00 0.00 H new ATOM 0 HG2 GLN A 16 89.555 -6.171 -11.080 1.00 0.00 H new ATOM 0 HG3 GLN A 16 88.381 -4.956 -10.612 1.00 0.00 H new ATOM 0 HE21 GLN A 16 91.955 -5.591 -10.526 1.00 0.00 H new ATOM 0 HE22 GLN A 16 92.400 -3.890 -10.698 1.00 0.00 H new ATOM 257 N CYS A 17 88.654 -7.110 -6.361 1.00 0.00 N ATOM 258 CA CYS A 17 88.930 -7.843 -5.121 1.00 0.00 C ATOM 259 C CYS A 17 87.836 -7.611 -4.071 1.00 0.00 C ATOM 260 O CYS A 17 88.133 -7.347 -2.907 1.00 0.00 O ATOM 261 CB CYS A 17 90.294 -7.413 -4.549 1.00 0.00 C ATOM 262 SG CYS A 17 91.299 -6.651 -5.853 1.00 0.00 S ATOM 0 H CYS A 17 88.593 -6.098 -6.253 1.00 0.00 H new ATOM 0 HA CYS A 17 88.948 -8.906 -5.361 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.149 -6.708 -3.731 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.814 -8.278 -4.136 1.00 0.00 H new ATOM 267 N HIS A 18 86.573 -7.729 -4.478 1.00 0.00 N ATOM 268 CA HIS A 18 85.464 -7.544 -3.539 1.00 0.00 C ATOM 269 C HIS A 18 84.240 -8.340 -3.983 1.00 0.00 C ATOM 270 O HIS A 18 84.288 -9.079 -4.966 1.00 0.00 O ATOM 271 CB HIS A 18 85.092 -6.060 -3.422 1.00 0.00 C ATOM 272 CG HIS A 18 86.027 -5.372 -2.465 1.00 0.00 C ATOM 273 ND1 HIS A 18 85.782 -5.310 -1.101 1.00 0.00 N ATOM 274 CD2 HIS A 18 87.202 -4.697 -2.664 1.00 0.00 C ATOM 275 CE1 HIS A 18 86.789 -4.614 -0.540 1.00 0.00 C ATOM 276 NE2 HIS A 18 87.685 -4.216 -1.449 1.00 0.00 N ATOM 0 H HIS A 18 86.293 -7.948 -5.434 1.00 0.00 H new ATOM 0 HA HIS A 18 85.791 -7.907 -2.565 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.145 -5.584 -4.401 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.064 -5.960 -3.075 1.00 0.00 H new ATOM 0 HD1 HIS A 18 84.985 -5.717 -0.612 1.00 0.00 H new ATOM 0 HD2 HIS A 18 87.683 -4.558 -3.621 1.00 0.00 H new ATOM 0 HE1 HIS A 18 86.864 -4.403 0.517 1.00 0.00 H new ATOM 284 N THR A 19 83.146 -8.186 -3.240 1.00 0.00 N ATOM 285 CA THR A 19 81.909 -8.895 -3.547 1.00 0.00 C ATOM 286 C THR A 19 80.702 -7.979 -3.338 1.00 0.00 C ATOM 287 O THR A 19 79.741 -8.014 -4.106 1.00 0.00 O ATOM 288 CB THR A 19 81.799 -10.125 -2.640 1.00 0.00 C ATOM 289 OG1 THR A 19 83.104 -10.576 -2.305 1.00 0.00 O ATOM 290 CG2 THR A 19 81.052 -11.238 -3.367 1.00 0.00 C ATOM 0 H THR A 19 83.092 -7.578 -2.423 1.00 0.00 H new ATOM 0 HA THR A 19 81.923 -9.209 -4.591 1.00 0.00 H new ATOM 0 HB THR A 19 81.255 -9.859 -1.734 1.00 0.00 H new ATOM 0 HG1 THR A 19 83.081 -11.029 -1.436 1.00 0.00 H new ATOM 0 HG21 THR A 19 80.977 -12.110 -2.718 1.00 0.00 H new ATOM 0 HG22 THR A 19 80.052 -10.894 -3.630 1.00 0.00 H new ATOM 0 HG23 THR A 19 81.593 -11.507 -4.274 1.00 0.00 H new ATOM 298 N VAL A 20 80.770 -7.161 -2.293 1.00 0.00 N ATOM 299 CA VAL A 20 79.697 -6.222 -1.970 1.00 0.00 C ATOM 300 C VAL A 20 78.318 -6.862 -2.117 1.00 0.00 C ATOM 301 O VAL A 20 77.349 -6.183 -2.455 1.00 0.00 O ATOM 302 CB VAL A 20 79.791 -4.977 -2.859 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.194 -4.376 -2.750 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.516 -5.347 -4.315 1.00 0.00 C ATOM 0 H VAL A 20 81.561 -7.128 -1.650 1.00 0.00 H new ATOM 0 HA VAL A 20 79.822 -5.932 -0.927 1.00 0.00 H new ATOM 0 HB VAL A 20 79.049 -4.250 -2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.261 -3.491 -3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.391 -4.098 -1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 20 81.931 -5.110 -3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.586 -4.454 -4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.250 -6.080 -4.649 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.515 -5.771 -4.400 1.00 0.00 H new ATOM 314 N GLU A 21 78.230 -8.161 -1.848 1.00 0.00 N ATOM 315 CA GLU A 21 76.951 -8.865 -1.943 1.00 0.00 C ATOM 316 C GLU A 21 76.681 -9.647 -0.660 1.00 0.00 C ATOM 317 O GLU A 21 77.455 -10.526 -0.279 1.00 0.00 O ATOM 318 CB GLU A 21 76.948 -9.807 -3.155 1.00 0.00 C ATOM 319 CG GLU A 21 77.666 -11.113 -2.814 1.00 0.00 C ATOM 320 CD GLU A 21 77.952 -11.897 -4.091 1.00 0.00 C ATOM 321 OE1 GLU A 21 77.581 -11.422 -5.151 1.00 0.00 O ATOM 322 OE2 GLU A 21 78.539 -12.962 -3.990 1.00 0.00 O1- ATOM 0 H GLU A 21 79.018 -8.744 -1.565 1.00 0.00 H new ATOM 0 HA GLU A 21 76.158 -8.129 -2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 21 75.922 -10.017 -3.459 1.00 0.00 H new ATOM 0 HB3 GLU A 21 77.438 -9.324 -4.000 1.00 0.00 H new ATOM 0 HG2 GLU A 21 78.598 -10.900 -2.291 1.00 0.00 H new ATOM 0 HG3 GLU A 21 77.052 -11.710 -2.140 1.00 0.00 H new ATOM 329 N LYS A 22 75.583 -9.311 0.007 1.00 0.00 N ATOM 330 CA LYS A 22 75.218 -9.975 1.252 1.00 0.00 C ATOM 331 C LYS A 22 75.281 -11.494 1.102 1.00 0.00 C ATOM 332 O LYS A 22 75.026 -12.033 0.026 1.00 0.00 O ATOM 333 CB LYS A 22 73.802 -9.559 1.667 1.00 0.00 C ATOM 334 CG LYS A 22 73.615 -9.772 3.175 1.00 0.00 C ATOM 335 CD LYS A 22 74.050 -8.515 3.934 1.00 0.00 C ATOM 336 CE LYS A 22 74.129 -8.822 5.430 1.00 0.00 C ATOM 337 NZ LYS A 22 72.762 -9.111 5.950 1.00 0.00 N1+ ATOM 0 H LYS A 22 74.932 -8.585 -0.292 1.00 0.00 H new ATOM 0 HA LYS A 22 75.930 -9.674 2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 22 73.633 -8.512 1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 22 73.066 -10.143 1.115 1.00 0.00 H new ATOM 0 HG2 LYS A 22 72.571 -9.997 3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 22 74.201 -10.629 3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 22 75.020 -8.175 3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 22 73.341 -7.706 3.755 1.00 0.00 H new ATOM 0 HE2 LYS A 22 74.784 -9.676 5.603 1.00 0.00 H new ATOM 0 HE3 LYS A 22 74.561 -7.976 5.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 72.791 -9.169 6.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 72.114 -8.350 5.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 72.427 -10.016 5.562 1.00 0.00 H new ATOM 351 N GLY A 23 75.617 -12.173 2.195 1.00 0.00 N ATOM 352 CA GLY A 23 75.706 -13.630 2.188 1.00 0.00 C ATOM 353 C GLY A 23 76.525 -14.135 1.004 1.00 0.00 C ATOM 354 O GLY A 23 76.287 -15.231 0.499 1.00 0.00 O ATOM 0 H GLY A 23 75.831 -11.740 3.093 1.00 0.00 H new ATOM 0 HA2 GLY A 23 76.160 -13.972 3.118 1.00 0.00 H new ATOM 0 HA3 GLY A 23 74.704 -14.057 2.147 1.00 0.00 H new ATOM 358 N GLY A 24 77.490 -13.333 0.565 1.00 0.00 N ATOM 359 CA GLY A 24 78.335 -13.718 -0.560 1.00 0.00 C ATOM 360 C GLY A 24 79.530 -14.538 -0.089 1.00 0.00 C ATOM 361 O GLY A 24 79.408 -15.380 0.801 1.00 0.00 O ATOM 0 H GLY A 24 77.705 -12.421 0.967 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.752 -14.297 -1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.684 -12.826 -1.080 1.00 0.00 H new ATOM 365 N LYS A 25 80.686 -14.281 -0.691 1.00 0.00 N ATOM 366 CA LYS A 25 81.906 -14.996 -0.330 1.00 0.00 C ATOM 367 C LYS A 25 83.130 -14.120 -0.590 1.00 0.00 C ATOM 368 O LYS A 25 83.542 -13.932 -1.734 1.00 0.00 O ATOM 369 CB LYS A 25 82.015 -16.293 -1.137 1.00 0.00 C ATOM 370 CG LYS A 25 81.549 -16.049 -2.574 1.00 0.00 C ATOM 371 CD LYS A 25 81.740 -17.325 -3.396 1.00 0.00 C ATOM 372 CE LYS A 25 80.945 -17.219 -4.699 1.00 0.00 C ATOM 373 NZ LYS A 25 81.087 -18.485 -5.472 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.805 -13.586 -1.428 1.00 0.00 H new ATOM 0 HA LYS A 25 81.865 -15.239 0.732 1.00 0.00 H new ATOM 0 HB2 LYS A 25 83.045 -16.648 -1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 25 81.408 -17.072 -0.675 1.00 0.00 H new ATOM 0 HG2 LYS A 25 80.500 -15.752 -2.582 1.00 0.00 H new ATOM 0 HG3 LYS A 25 82.115 -15.230 -3.017 1.00 0.00 H new ATOM 0 HD2 LYS A 25 82.797 -17.474 -3.614 1.00 0.00 H new ATOM 0 HD3 LYS A 25 81.407 -18.191 -2.824 1.00 0.00 H new ATOM 0 HE2 LYS A 25 79.894 -17.029 -4.482 1.00 0.00 H new ATOM 0 HE3 LYS A 25 81.306 -16.377 -5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 80.547 -18.413 -6.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 82.091 -18.647 -5.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 80.723 -19.279 -4.908 1.00 0.00 H new ATOM 387 N HIS A 26 83.701 -13.584 0.483 1.00 0.00 N ATOM 388 CA HIS A 26 84.873 -12.724 0.365 1.00 0.00 C ATOM 389 C HIS A 26 85.988 -13.425 -0.406 1.00 0.00 C ATOM 390 O HIS A 26 86.317 -14.579 -0.133 1.00 0.00 O ATOM 391 CB HIS A 26 85.375 -12.337 1.759 1.00 0.00 C ATOM 392 CG HIS A 26 85.314 -13.535 2.665 1.00 0.00 C ATOM 393 ND1 HIS A 26 84.138 -13.938 3.278 1.00 0.00 N ATOM 394 CD2 HIS A 26 86.274 -14.427 3.073 1.00 0.00 C ATOM 395 CE1 HIS A 26 84.419 -15.029 4.014 1.00 0.00 C ATOM 396 NE2 HIS A 26 85.707 -15.369 3.926 1.00 0.00 N ATOM 0 H HIS A 26 83.374 -13.728 1.438 1.00 0.00 H new ATOM 0 HA HIS A 26 84.586 -11.826 -0.183 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.398 -11.965 1.698 1.00 0.00 H new ATOM 0 HB3 HIS A 26 84.766 -11.529 2.165 1.00 0.00 H new ATOM 0 HD2 HIS A 26 87.312 -14.402 2.777 1.00 0.00 H new ATOM 0 HE1 HIS A 26 83.691 -15.565 4.605 1.00 0.00 H new ATOM 0 HE2 HIS A 26 86.175 -16.151 4.385 1.00 0.00 H new ATOM 405 N LYS A 27 86.571 -12.710 -1.367 1.00 0.00 N ATOM 406 CA LYS A 27 87.657 -13.258 -2.175 1.00 0.00 C ATOM 407 C LYS A 27 88.721 -12.189 -2.411 1.00 0.00 C ATOM 408 O LYS A 27 88.406 -11.062 -2.793 1.00 0.00 O ATOM 409 CB LYS A 27 87.116 -13.758 -3.517 1.00 0.00 C ATOM 410 CG LYS A 27 86.138 -12.730 -4.091 1.00 0.00 C ATOM 411 CD LYS A 27 85.697 -13.166 -5.492 1.00 0.00 C ATOM 412 CE LYS A 27 84.918 -14.482 -5.404 1.00 0.00 C ATOM 413 NZ LYS A 27 84.032 -14.613 -6.597 1.00 0.00 N1+ ATOM 0 H LYS A 27 86.310 -11.753 -1.604 1.00 0.00 H new ATOM 0 HA LYS A 27 88.105 -14.096 -1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 27 87.938 -13.922 -4.214 1.00 0.00 H new ATOM 0 HB3 LYS A 27 86.615 -14.717 -3.384 1.00 0.00 H new ATOM 0 HG2 LYS A 27 85.270 -12.635 -3.439 1.00 0.00 H new ATOM 0 HG3 LYS A 27 86.611 -11.749 -4.137 1.00 0.00 H new ATOM 0 HD2 LYS A 27 85.075 -12.394 -5.944 1.00 0.00 H new ATOM 0 HD3 LYS A 27 86.568 -13.291 -6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 27 85.609 -15.324 -5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 27 84.323 -14.505 -4.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 83.502 -15.506 -6.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 83.365 -13.816 -6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 84.611 -14.609 -7.461 1.00 0.00 H new ATOM 427 N THR A 28 89.979 -12.544 -2.171 1.00 0.00 N ATOM 428 CA THR A 28 91.074 -11.597 -2.349 1.00 0.00 C ATOM 429 C THR A 28 90.736 -10.276 -1.665 1.00 0.00 C ATOM 430 O THR A 28 91.215 -9.215 -2.063 1.00 0.00 O ATOM 431 CB THR A 28 91.326 -11.359 -3.841 1.00 0.00 C ATOM 432 OG1 THR A 28 91.170 -12.582 -4.547 1.00 0.00 O ATOM 433 CG2 THR A 28 92.748 -10.829 -4.046 1.00 0.00 C ATOM 0 H THR A 28 90.264 -13.471 -1.856 1.00 0.00 H new ATOM 0 HA THR A 28 91.976 -12.012 -1.899 1.00 0.00 H new ATOM 0 HB THR A 28 90.611 -10.627 -4.216 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.329 -12.431 -5.502 1.00 0.00 H new ATOM 0 HG21 THR A 28 92.924 -10.661 -5.108 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.868 -9.890 -3.505 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.466 -11.558 -3.670 1.00 0.00 H new ATOM 441 N GLY A 29 89.906 -10.357 -0.634 1.00 0.00 N ATOM 442 CA GLY A 29 89.499 -9.172 0.110 1.00 0.00 C ATOM 443 C GLY A 29 88.182 -9.424 0.839 1.00 0.00 C ATOM 444 O GLY A 29 87.405 -10.293 0.444 1.00 0.00 O ATOM 0 H GLY A 29 89.502 -11.229 -0.294 1.00 0.00 H new ATOM 0 HA2 GLY A 29 90.273 -8.903 0.828 1.00 0.00 H new ATOM 0 HA3 GLY A 29 89.389 -8.328 -0.571 1.00 0.00 H new ATOM 448 N PRO A 30 87.919 -8.690 1.888 1.00 0.00 N ATOM 449 CA PRO A 30 86.666 -8.846 2.684 1.00 0.00 C ATOM 450 C PRO A 30 85.438 -8.341 1.928 1.00 0.00 C ATOM 451 O PRO A 30 85.548 -7.838 0.809 1.00 0.00 O ATOM 452 CB PRO A 30 86.927 -8.002 3.936 1.00 0.00 C ATOM 453 CG PRO A 30 87.923 -6.973 3.511 1.00 0.00 C ATOM 454 CD PRO A 30 88.785 -7.631 2.433 1.00 0.00 C ATOM 0 HA PRO A 30 86.448 -9.890 2.908 1.00 0.00 H new ATOM 0 HB2 PRO A 30 86.009 -7.537 4.296 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.315 -8.614 4.750 1.00 0.00 H new ATOM 0 HG2 PRO A 30 87.424 -6.086 3.122 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.534 -6.651 4.355 1.00 0.00 H new ATOM 0 HD2 PRO A 30 89.076 -6.917 1.663 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.704 -8.042 2.851 1.00 0.00 H new ATOM 462 N ASN A 31 84.271 -8.472 2.552 1.00 0.00 N ATOM 463 CA ASN A 31 83.027 -8.021 1.939 1.00 0.00 C ATOM 464 C ASN A 31 82.624 -6.675 2.526 1.00 0.00 C ATOM 465 O ASN A 31 83.159 -6.256 3.552 1.00 0.00 O ATOM 466 CB ASN A 31 81.917 -9.048 2.191 1.00 0.00 C ATOM 467 CG ASN A 31 80.833 -8.921 1.125 1.00 0.00 C ATOM 468 OD1 ASN A 31 80.337 -7.824 0.870 1.00 0.00 O ATOM 469 ND2 ASN A 31 80.436 -9.985 0.484 1.00 0.00 N ATOM 0 H ASN A 31 84.161 -8.885 3.478 1.00 0.00 H new ATOM 0 HA ASN A 31 83.177 -7.916 0.865 1.00 0.00 H new ATOM 0 HB2 ASN A 31 82.333 -10.055 2.179 1.00 0.00 H new ATOM 0 HB3 ASN A 31 81.485 -8.893 3.180 1.00 0.00 H new ATOM 0 HD21 ASN A 31 79.712 -9.909 -0.231 1.00 0.00 H new ATOM 0 HD22 ASN A 31 80.849 -10.893 0.698 1.00 0.00 H new ATOM 476 N LEU A 32 81.684 -5.999 1.875 1.00 0.00 N ATOM 477 CA LEU A 32 81.223 -4.695 2.352 1.00 0.00 C ATOM 478 C LEU A 32 79.768 -4.776 2.814 1.00 0.00 C ATOM 479 O LEU A 32 78.970 -3.886 2.525 1.00 0.00 O ATOM 480 CB LEU A 32 81.340 -3.646 1.240 1.00 0.00 C ATOM 481 CG LEU A 32 82.734 -3.687 0.600 1.00 0.00 C ATOM 482 CD1 LEU A 32 82.893 -2.480 -0.335 1.00 0.00 C ATOM 483 CD2 LEU A 32 83.813 -3.632 1.685 1.00 0.00 C ATOM 0 H LEU A 32 81.228 -6.326 1.023 1.00 0.00 H new ATOM 0 HA LEU A 32 81.852 -4.403 3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.580 -3.828 0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.151 -2.653 1.648 1.00 0.00 H new ATOM 0 HG LEU A 32 82.843 -4.613 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 32 83.882 -2.503 -0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.131 -2.520 -1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 32 82.779 -1.559 0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 32 84.798 -3.662 1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 32 83.709 -2.709 2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.701 -4.486 2.353 1.00 0.00 H new ATOM 495 N HIS A 33 79.433 -5.845 3.532 1.00 0.00 N ATOM 496 CA HIS A 33 78.069 -6.026 4.027 1.00 0.00 C ATOM 497 C HIS A 33 77.716 -4.942 5.041 1.00 0.00 C ATOM 498 O HIS A 33 78.505 -4.644 5.938 1.00 0.00 O ATOM 499 CB HIS A 33 77.931 -7.399 4.689 1.00 0.00 C ATOM 500 CG HIS A 33 78.115 -8.481 3.660 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.235 -9.817 4.010 1.00 0.00 N ATOM 502 CD2 HIS A 33 78.202 -8.443 2.291 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.384 -10.522 2.874 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.371 -9.732 1.797 1.00 0.00 N ATOM 0 H HIS A 33 80.079 -6.593 3.783 1.00 0.00 H new ATOM 0 HA HIS A 33 77.387 -5.956 3.180 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.672 -7.507 5.481 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.950 -7.491 5.156 1.00 0.00 H new ATOM 0 HD2 HIS A 33 78.148 -7.548 1.689 1.00 0.00 H new ATOM 0 HE1 HIS A 33 78.500 -11.595 2.837 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.465 -10.014 0.821 1.00 0.00 H new ATOM 513 N GLY A 34 76.527 -4.356 4.896 1.00 0.00 N ATOM 514 CA GLY A 34 76.086 -3.304 5.811 1.00 0.00 C ATOM 515 C GLY A 34 77.263 -2.426 6.220 1.00 0.00 C ATOM 516 O GLY A 34 77.297 -1.877 7.322 1.00 0.00 O ATOM 0 H GLY A 34 75.859 -4.589 4.162 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.319 -2.695 5.332 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.632 -3.750 6.696 1.00 0.00 H new ATOM 520 N LEU A 35 78.230 -2.314 5.318 1.00 0.00 N ATOM 521 CA LEU A 35 79.425 -1.517 5.565 1.00 0.00 C ATOM 522 C LEU A 35 79.074 -0.201 6.257 1.00 0.00 C ATOM 523 O LEU A 35 79.583 0.107 7.333 1.00 0.00 O ATOM 524 CB LEU A 35 80.113 -1.234 4.222 1.00 0.00 C ATOM 525 CG LEU A 35 81.288 -0.259 4.406 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.563 -1.037 4.739 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.507 0.529 3.109 1.00 0.00 C ATOM 0 H LEU A 35 78.210 -2.767 4.405 1.00 0.00 H new ATOM 0 HA LEU A 35 80.094 -2.072 6.223 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.473 -2.167 3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.392 -0.814 3.520 1.00 0.00 H new ATOM 0 HG LEU A 35 81.057 0.426 5.222 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.391 -0.340 4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.415 -1.600 5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.792 -1.726 3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.340 1.220 3.239 1.00 0.00 H new ATOM 0 HD22 LEU A 35 81.733 -0.162 2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.604 1.090 2.867 1.00 0.00 H new ATOM 539 N PHE A 36 78.215 0.575 5.622 1.00 0.00 N ATOM 540 CA PHE A 36 77.816 1.868 6.167 1.00 0.00 C ATOM 541 C PHE A 36 77.248 1.732 7.580 1.00 0.00 C ATOM 542 O PHE A 36 76.046 1.541 7.757 1.00 0.00 O ATOM 543 CB PHE A 36 76.769 2.518 5.252 1.00 0.00 C ATOM 544 CG PHE A 36 77.262 2.499 3.821 1.00 0.00 C ATOM 545 CD1 PHE A 36 77.148 1.330 3.055 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.838 3.648 3.260 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.610 1.311 1.733 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.298 3.626 1.940 1.00 0.00 C ATOM 549 CZ PHE A 36 78.187 2.458 1.176 1.00 0.00 C ATOM 0 H PHE A 36 77.779 0.337 4.731 1.00 0.00 H new ATOM 0 HA PHE A 36 78.705 2.497 6.219 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.823 1.983 5.328 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.581 3.544 5.569 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.704 0.444 3.485 1.00 0.00 H new ATOM 0 HD2 PHE A 36 77.926 4.550 3.848 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.521 0.411 1.143 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.740 4.512 1.509 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.546 2.442 0.158 1.00 0.00 H new ATOM 559 N GLY A 37 78.118 1.859 8.589 1.00 0.00 N ATOM 560 CA GLY A 37 77.672 1.773 9.981 1.00 0.00 C ATOM 561 C GLY A 37 78.619 0.950 10.857 1.00 0.00 C ATOM 562 O GLY A 37 78.671 1.145 12.071 1.00 0.00 O ATOM 0 H GLY A 37 79.118 2.019 8.470 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.585 2.778 10.393 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.677 1.329 10.012 1.00 0.00 H new ATOM 566 N ARG A 38 79.352 0.019 10.252 1.00 0.00 N ATOM 567 CA ARG A 38 80.268 -0.829 11.020 1.00 0.00 C ATOM 568 C ARG A 38 81.644 -0.174 11.178 1.00 0.00 C ATOM 569 O ARG A 38 82.131 0.503 10.273 1.00 0.00 O ATOM 570 CB ARG A 38 80.425 -2.189 10.325 1.00 0.00 C ATOM 571 CG ARG A 38 79.363 -3.181 10.827 1.00 0.00 C ATOM 572 CD ARG A 38 79.832 -4.625 10.576 1.00 0.00 C ATOM 573 NE ARG A 38 78.783 -5.387 9.898 1.00 0.00 N ATOM 574 CZ ARG A 38 78.853 -5.684 8.597 1.00 0.00 C ATOM 575 NH1 ARG A 38 79.865 -5.280 7.874 1.00 0.00 N ATOM 576 NH2 ARG A 38 77.900 -6.380 8.041 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.333 -0.168 9.249 1.00 0.00 H new ATOM 0 HA ARG A 38 79.841 -0.966 12.014 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.333 -2.065 9.246 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.421 -2.588 10.516 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.184 -3.028 11.891 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.417 -3.003 10.316 1.00 0.00 H new ATOM 0 HD2 ARG A 38 80.738 -4.621 9.970 1.00 0.00 H new ATOM 0 HD3 ARG A 38 80.084 -5.103 11.523 1.00 0.00 H new ATOM 0 HE ARG A 38 77.974 -5.701 10.434 1.00 0.00 H new ATOM 0 HH11 ARG A 38 80.611 -4.732 8.302 1.00 0.00 H new ATOM 0 HH12 ARG A 38 79.908 -5.513 6.882 1.00 0.00 H new ATOM 0 HH21 ARG A 38 77.106 -6.695 8.599 1.00 0.00 H new ATOM 0 HH22 ARG A 38 77.949 -6.609 7.048 1.00 0.00 H new ATOM 590 N LYS A 39 82.262 -0.393 12.340 1.00 0.00 N ATOM 591 CA LYS A 39 83.582 0.169 12.630 1.00 0.00 C ATOM 592 C LYS A 39 84.649 -0.432 11.712 1.00 0.00 C ATOM 593 O LYS A 39 84.407 -1.430 11.034 1.00 0.00 O ATOM 594 CB LYS A 39 83.952 -0.107 14.095 1.00 0.00 C ATOM 595 CG LYS A 39 83.396 1.003 15.003 1.00 0.00 C ATOM 596 CD LYS A 39 84.484 2.053 15.269 1.00 0.00 C ATOM 597 CE LYS A 39 83.910 3.197 16.115 1.00 0.00 C ATOM 598 NZ LYS A 39 83.682 4.388 15.249 1.00 0.00 N1+ ATOM 0 H LYS A 39 81.870 -0.955 13.095 1.00 0.00 H new ATOM 0 HA LYS A 39 83.541 1.244 12.455 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.552 -1.073 14.403 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.036 -0.163 14.199 1.00 0.00 H new ATOM 0 HG2 LYS A 39 82.533 1.472 14.531 1.00 0.00 H new ATOM 0 HG3 LYS A 39 83.052 0.576 15.945 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.326 1.594 15.786 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.864 2.443 14.325 1.00 0.00 H new ATOM 0 HE2 LYS A 39 82.974 2.886 16.579 1.00 0.00 H new ATOM 0 HE3 LYS A 39 84.598 3.447 16.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 83.140 5.102 15.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 84.598 4.790 14.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 83.149 4.105 14.402 1.00 0.00 H new ATOM 612 N THR A 40 85.828 0.192 11.695 1.00 0.00 N ATOM 613 CA THR A 40 86.930 -0.275 10.856 1.00 0.00 C ATOM 614 C THR A 40 87.386 -1.674 11.261 1.00 0.00 C ATOM 615 O THR A 40 87.337 -2.042 12.435 1.00 0.00 O ATOM 616 CB THR A 40 88.113 0.694 10.959 1.00 0.00 C ATOM 617 OG1 THR A 40 88.247 1.134 12.301 1.00 0.00 O ATOM 618 CG2 THR A 40 87.877 1.901 10.051 1.00 0.00 C ATOM 0 H THR A 40 86.043 1.019 12.251 1.00 0.00 H new ATOM 0 HA THR A 40 86.571 -0.315 9.828 1.00 0.00 H new ATOM 0 HB THR A 40 89.024 0.182 10.647 1.00 0.00 H new ATOM 0 HG1 THR A 40 89.197 1.175 12.538 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.722 2.586 10.129 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.776 1.566 9.019 1.00 0.00 H new ATOM 0 HG23 THR A 40 86.965 2.414 10.357 1.00 0.00 H new ATOM 626 N GLY A 41 87.843 -2.442 10.274 1.00 0.00 N ATOM 627 CA GLY A 41 88.325 -3.795 10.524 1.00 0.00 C ATOM 628 C GLY A 41 87.339 -4.592 11.370 1.00 0.00 C ATOM 629 O GLY A 41 87.713 -5.163 12.394 1.00 0.00 O ATOM 0 H GLY A 41 87.889 -2.150 9.298 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.487 -4.306 9.575 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.289 -3.751 11.031 1.00 0.00 H new ATOM 633 N GLN A 42 86.078 -4.615 10.948 1.00 0.00 N ATOM 634 CA GLN A 42 85.047 -5.337 11.698 1.00 0.00 C ATOM 635 C GLN A 42 84.454 -6.489 10.886 1.00 0.00 C ATOM 636 O GLN A 42 83.844 -7.397 11.449 1.00 0.00 O ATOM 637 CB GLN A 42 83.929 -4.370 12.099 1.00 0.00 C ATOM 638 CG GLN A 42 82.977 -5.060 13.081 1.00 0.00 C ATOM 639 CD GLN A 42 82.140 -4.018 13.814 1.00 0.00 C ATOM 640 OE1 GLN A 42 82.326 -3.801 15.012 1.00 0.00 O ATOM 641 NE2 GLN A 42 81.224 -3.355 13.162 1.00 0.00 N ATOM 0 H GLN A 42 85.745 -4.150 10.103 1.00 0.00 H new ATOM 0 HA GLN A 42 85.518 -5.759 12.586 1.00 0.00 H new ATOM 0 HB2 GLN A 42 84.354 -3.477 12.557 1.00 0.00 H new ATOM 0 HB3 GLN A 42 83.381 -4.045 11.214 1.00 0.00 H new ATOM 0 HG2 GLN A 42 82.326 -5.750 12.545 1.00 0.00 H new ATOM 0 HG3 GLN A 42 83.547 -5.651 13.798 1.00 0.00 H new ATOM 0 HE21 GLN A 42 81.072 -3.537 12.170 1.00 0.00 H new ATOM 0 HE22 GLN A 42 80.660 -2.655 13.645 1.00 0.00 H new ATOM 650 N ALA A 43 84.625 -6.452 9.569 1.00 0.00 N ATOM 651 CA ALA A 43 84.085 -7.510 8.719 1.00 0.00 C ATOM 652 C ALA A 43 84.725 -8.861 9.066 1.00 0.00 C ATOM 653 O ALA A 43 85.941 -9.017 8.972 1.00 0.00 O ATOM 654 CB ALA A 43 84.340 -7.176 7.244 1.00 0.00 C ATOM 0 H ALA A 43 85.124 -5.715 9.072 1.00 0.00 H new ATOM 0 HA ALA A 43 83.011 -7.580 8.892 1.00 0.00 H new ATOM 0 HB1 ALA A 43 83.935 -7.969 6.616 1.00 0.00 H new ATOM 0 HB2 ALA A 43 83.854 -6.232 6.995 1.00 0.00 H new ATOM 0 HB3 ALA A 43 85.413 -7.089 7.071 1.00 0.00 H new ATOM 660 N PRO A 44 83.943 -9.836 9.464 1.00 0.00 N ATOM 661 CA PRO A 44 84.471 -11.185 9.823 1.00 0.00 C ATOM 662 C PRO A 44 84.793 -12.025 8.589 1.00 0.00 C ATOM 663 O PRO A 44 83.901 -12.384 7.821 1.00 0.00 O ATOM 664 CB PRO A 44 83.328 -11.805 10.627 1.00 0.00 C ATOM 665 CG PRO A 44 82.089 -11.182 10.073 1.00 0.00 C ATOM 666 CD PRO A 44 82.477 -9.772 9.615 1.00 0.00 C ATOM 0 HA PRO A 44 85.410 -11.130 10.374 1.00 0.00 H new ATOM 0 HB2 PRO A 44 83.309 -12.889 10.516 1.00 0.00 H new ATOM 0 HB3 PRO A 44 83.434 -11.595 11.691 1.00 0.00 H new ATOM 0 HG2 PRO A 44 81.700 -11.767 9.240 1.00 0.00 H new ATOM 0 HG3 PRO A 44 81.304 -11.142 10.828 1.00 0.00 H new ATOM 0 HD2 PRO A 44 81.990 -9.509 8.676 1.00 0.00 H new ATOM 0 HD3 PRO A 44 82.184 -9.020 10.347 1.00 0.00 H new ATOM 674 N GLY A 45 86.073 -12.340 8.406 1.00 0.00 N ATOM 675 CA GLY A 45 86.495 -13.142 7.263 1.00 0.00 C ATOM 676 C GLY A 45 87.971 -12.921 6.946 1.00 0.00 C ATOM 677 O GLY A 45 88.797 -13.814 7.136 1.00 0.00 O ATOM 0 H GLY A 45 86.829 -12.055 9.029 1.00 0.00 H new ATOM 0 HA2 GLY A 45 86.320 -14.197 7.472 1.00 0.00 H new ATOM 0 HA3 GLY A 45 85.891 -12.885 6.393 1.00 0.00 H new ATOM 681 N PHE A 46 88.295 -11.729 6.455 1.00 0.00 N ATOM 682 CA PHE A 46 89.675 -11.403 6.106 1.00 0.00 C ATOM 683 C PHE A 46 90.452 -10.937 7.333 1.00 0.00 C ATOM 684 O PHE A 46 89.872 -10.423 8.290 1.00 0.00 O ATOM 685 CB PHE A 46 89.695 -10.302 5.042 1.00 0.00 C ATOM 686 CG PHE A 46 91.065 -10.236 4.409 1.00 0.00 C ATOM 687 CD1 PHE A 46 91.356 -11.020 3.286 1.00 0.00 C ATOM 688 CD2 PHE A 46 92.044 -9.389 4.944 1.00 0.00 C ATOM 689 CE1 PHE A 46 92.626 -10.959 2.700 1.00 0.00 C ATOM 690 CE2 PHE A 46 93.313 -9.327 4.356 1.00 0.00 C ATOM 691 CZ PHE A 46 93.604 -10.112 3.235 1.00 0.00 C ATOM 0 H PHE A 46 87.626 -10.977 6.290 1.00 0.00 H new ATOM 0 HA PHE A 46 90.149 -12.303 5.715 1.00 0.00 H new ATOM 0 HB2 PHE A 46 88.941 -10.503 4.281 1.00 0.00 H new ATOM 0 HB3 PHE A 46 89.445 -9.342 5.493 1.00 0.00 H new ATOM 0 HD1 PHE A 46 90.601 -11.672 2.872 1.00 0.00 H new ATOM 0 HD2 PHE A 46 91.820 -8.784 5.810 1.00 0.00 H new ATOM 0 HE1 PHE A 46 92.851 -11.565 1.835 1.00 0.00 H new ATOM 0 HE2 PHE A 46 94.067 -8.673 4.768 1.00 0.00 H new ATOM 0 HZ PHE A 46 94.583 -10.065 2.782 1.00 0.00 H new ATOM 701 N THR A 47 91.770 -11.117 7.295 1.00 0.00 N ATOM 702 CA THR A 47 92.622 -10.708 8.406 1.00 0.00 C ATOM 703 C THR A 47 92.936 -9.220 8.309 1.00 0.00 C ATOM 704 O THR A 47 93.944 -8.823 7.723 1.00 0.00 O ATOM 705 CB THR A 47 93.924 -11.510 8.390 1.00 0.00 C ATOM 706 OG1 THR A 47 93.626 -12.893 8.255 1.00 0.00 O ATOM 707 CG2 THR A 47 94.686 -11.275 9.697 1.00 0.00 C ATOM 0 H THR A 47 92.268 -11.541 6.512 1.00 0.00 H new ATOM 0 HA THR A 47 92.093 -10.900 9.340 1.00 0.00 H new ATOM 0 HB THR A 47 94.539 -11.188 7.550 1.00 0.00 H new ATOM 0 HG1 THR A 47 94.460 -13.408 8.243 1.00 0.00 H new ATOM 0 HG21 THR A 47 95.614 -11.847 9.685 1.00 0.00 H new ATOM 0 HG22 THR A 47 94.915 -10.214 9.799 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.073 -11.596 10.539 1.00 0.00 H new ATOM 715 N TYR A 48 92.061 -8.402 8.881 1.00 0.00 N ATOM 716 CA TYR A 48 92.241 -6.955 8.851 1.00 0.00 C ATOM 717 C TYR A 48 93.580 -6.560 9.463 1.00 0.00 C ATOM 718 O TYR A 48 94.104 -7.247 10.340 1.00 0.00 O ATOM 719 CB TYR A 48 91.108 -6.276 9.626 1.00 0.00 C ATOM 720 CG TYR A 48 89.919 -6.082 8.722 1.00 0.00 C ATOM 721 CD1 TYR A 48 90.023 -5.236 7.613 1.00 0.00 C ATOM 722 CD2 TYR A 48 88.712 -6.730 8.997 1.00 0.00 C ATOM 723 CE1 TYR A 48 88.921 -5.041 6.776 1.00 0.00 C ATOM 724 CE2 TYR A 48 87.608 -6.532 8.163 1.00 0.00 C ATOM 725 CZ TYR A 48 87.713 -5.688 7.051 1.00 0.00 C ATOM 726 OH TYR A 48 86.622 -5.493 6.230 1.00 0.00 O ATOM 0 H TYR A 48 91.222 -8.714 9.370 1.00 0.00 H new ATOM 0 HA TYR A 48 92.224 -6.630 7.811 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.828 -6.884 10.486 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.444 -5.314 10.012 1.00 0.00 H new ATOM 0 HD1 TYR A 48 90.956 -4.733 7.403 1.00 0.00 H new ATOM 0 HD2 TYR A 48 88.632 -7.383 9.853 1.00 0.00 H new ATOM 0 HE1 TYR A 48 89.003 -4.391 5.917 1.00 0.00 H new ATOM 0 HE2 TYR A 48 86.674 -7.030 8.376 1.00 0.00 H new ATOM 0 HH TYR A 48 85.906 -5.054 6.736 1.00 0.00 H new ATOM 736 N THR A 49 94.123 -5.441 8.994 1.00 0.00 N ATOM 737 CA THR A 49 95.398 -4.950 9.503 1.00 0.00 C ATOM 738 C THR A 49 95.189 -4.193 10.810 1.00 0.00 C ATOM 739 O THR A 49 94.125 -3.619 11.041 1.00 0.00 O ATOM 740 CB THR A 49 96.051 -4.030 8.471 1.00 0.00 C ATOM 741 OG1 THR A 49 95.247 -2.872 8.295 1.00 0.00 O ATOM 742 CG2 THR A 49 96.186 -4.770 7.138 1.00 0.00 C ATOM 0 H THR A 49 93.703 -4.861 8.267 1.00 0.00 H new ATOM 0 HA THR A 49 96.052 -5.802 9.690 1.00 0.00 H new ATOM 0 HB THR A 49 97.040 -3.735 8.821 1.00 0.00 H new ATOM 0 HG1 THR A 49 94.441 -3.107 7.790 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.652 -4.113 6.403 1.00 0.00 H new ATOM 0 HG22 THR A 49 96.804 -5.657 7.275 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.198 -5.067 6.785 1.00 0.00 H new ATOM 750 N ASP A 50 96.208 -4.197 11.663 1.00 0.00 N ATOM 751 CA ASP A 50 96.122 -3.510 12.948 1.00 0.00 C ATOM 752 C ASP A 50 95.506 -2.126 12.781 1.00 0.00 C ATOM 753 O ASP A 50 94.774 -1.657 13.652 1.00 0.00 O ATOM 754 CB ASP A 50 97.515 -3.380 13.564 1.00 0.00 C ATOM 755 CG ASP A 50 98.235 -4.723 13.513 1.00 0.00 C ATOM 756 OD1 ASP A 50 98.468 -5.204 12.417 1.00 0.00 O ATOM 757 OD2 ASP A 50 98.542 -5.248 14.569 1.00 0.00 O1- ATOM 0 H ASP A 50 97.098 -4.665 11.490 1.00 0.00 H new ATOM 0 HA ASP A 50 95.485 -4.098 13.609 1.00 0.00 H new ATOM 0 HB2 ASP A 50 98.091 -2.628 13.025 1.00 0.00 H new ATOM 0 HB3 ASP A 50 97.435 -3.040 14.597 1.00 0.00 H new ATOM 762 N ALA A 51 95.805 -1.478 11.662 1.00 0.00 N ATOM 763 CA ALA A 51 95.273 -0.146 11.399 1.00 0.00 C ATOM 764 C ALA A 51 93.749 -0.179 11.331 1.00 0.00 C ATOM 765 O ALA A 51 93.078 0.694 11.877 1.00 0.00 O ATOM 766 CB ALA A 51 95.834 0.389 10.082 1.00 0.00 C ATOM 0 H ALA A 51 96.408 -1.849 10.927 1.00 0.00 H new ATOM 0 HA ALA A 51 95.573 0.511 12.215 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.432 1.384 9.893 1.00 0.00 H new ATOM 0 HB2 ALA A 51 96.921 0.443 10.145 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.550 -0.278 9.268 1.00 0.00 H new ATOM 772 N ASN A 52 93.208 -1.191 10.662 1.00 0.00 N ATOM 773 CA ASN A 52 91.760 -1.323 10.537 1.00 0.00 C ATOM 774 C ASN A 52 91.174 -1.924 11.812 1.00 0.00 C ATOM 775 O ASN A 52 90.006 -1.710 12.136 1.00 0.00 O ATOM 776 CB ASN A 52 91.418 -2.218 9.341 1.00 0.00 C ATOM 777 CG ASN A 52 91.435 -1.406 8.050 1.00 0.00 C ATOM 778 OD1 ASN A 52 92.024 -0.326 8.001 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.819 -1.867 6.997 1.00 0.00 N ATOM 0 H ASN A 52 93.744 -1.926 10.201 1.00 0.00 H new ATOM 0 HA ASN A 52 91.330 -0.334 10.380 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.135 -3.036 9.274 1.00 0.00 H new ATOM 0 HB3 ASN A 52 90.435 -2.667 9.483 1.00 0.00 H new ATOM 0 HD21 ASN A 52 90.824 -1.332 6.128 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.332 -2.762 7.042 1.00 0.00 H new ATOM 786 N LYS A 53 92.004 -2.666 12.536 1.00 0.00 N ATOM 787 CA LYS A 53 91.578 -3.291 13.778 1.00 0.00 C ATOM 788 C LYS A 53 91.746 -2.300 14.923 1.00 0.00 C ATOM 789 O LYS A 53 91.314 -2.545 16.049 1.00 0.00 O ATOM 790 CB LYS A 53 92.409 -4.567 14.017 1.00 0.00 C ATOM 791 CG LYS A 53 92.749 -4.734 15.503 1.00 0.00 C ATOM 792 CD LYS A 53 93.500 -6.051 15.708 1.00 0.00 C ATOM 793 CE LYS A 53 93.489 -6.425 17.195 1.00 0.00 C ATOM 794 NZ LYS A 53 93.451 -5.184 18.021 1.00 0.00 N1+ ATOM 0 H LYS A 53 92.975 -2.848 12.283 1.00 0.00 H new ATOM 0 HA LYS A 53 90.527 -3.573 13.719 1.00 0.00 H new ATOM 0 HB2 LYS A 53 91.853 -5.437 13.668 1.00 0.00 H new ATOM 0 HB3 LYS A 53 93.328 -4.521 13.433 1.00 0.00 H new ATOM 0 HG2 LYS A 53 93.359 -3.898 15.844 1.00 0.00 H new ATOM 0 HG3 LYS A 53 91.837 -4.726 16.099 1.00 0.00 H new ATOM 0 HD2 LYS A 53 93.034 -6.842 15.121 1.00 0.00 H new ATOM 0 HD3 LYS A 53 94.527 -5.954 15.355 1.00 0.00 H new ATOM 0 HE2 LYS A 53 92.623 -7.049 17.417 1.00 0.00 H new ATOM 0 HE3 LYS A 53 94.375 -7.010 17.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 93.681 -5.417 19.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 94.146 -4.502 17.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 92.500 -4.766 17.976 1.00 0.00 H new ATOM 808 N ASN A 54 92.375 -1.172 14.617 1.00 0.00 N ATOM 809 CA ASN A 54 92.595 -0.138 15.615 1.00 0.00 C ATOM 810 C ASN A 54 91.274 0.514 16.004 1.00 0.00 C ATOM 811 O ASN A 54 91.164 1.152 17.052 1.00 0.00 O ATOM 812 CB ASN A 54 93.541 0.924 15.051 1.00 0.00 C ATOM 813 CG ASN A 54 92.760 2.002 14.303 1.00 0.00 C ATOM 814 OD1 ASN A 54 93.078 3.187 14.414 1.00 0.00 O ATOM 815 ND2 ASN A 54 91.754 1.664 13.546 1.00 0.00 N ATOM 0 H ASN A 54 92.739 -0.952 13.690 1.00 0.00 H new ATOM 0 HA ASN A 54 93.038 -0.593 16.501 1.00 0.00 H new ATOM 0 HB2 ASN A 54 94.111 1.378 15.862 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.260 0.457 14.378 1.00 0.00 H new ATOM 0 HD21 ASN A 54 91.229 2.381 13.045 1.00 0.00 H new ATOM 0 HD22 ASN A 54 91.492 0.683 13.455 1.00 0.00 H new ATOM 822 N LYS A 55 90.279 0.349 15.146 1.00 0.00 N ATOM 823 CA LYS A 55 88.959 0.930 15.400 1.00 0.00 C ATOM 824 C LYS A 55 89.085 2.435 15.629 1.00 0.00 C ATOM 825 O LYS A 55 88.810 2.931 16.722 1.00 0.00 O ATOM 826 CB LYS A 55 88.315 0.276 16.633 1.00 0.00 C ATOM 827 CG LYS A 55 87.482 -0.946 16.220 1.00 0.00 C ATOM 828 CD LYS A 55 88.402 -2.139 15.941 1.00 0.00 C ATOM 829 CE LYS A 55 88.869 -2.765 17.261 1.00 0.00 C ATOM 830 NZ LYS A 55 89.332 -4.159 17.012 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.353 -0.176 14.275 1.00 0.00 H new ATOM 0 HA LYS A 55 88.328 0.748 14.530 1.00 0.00 H new ATOM 0 HB2 LYS A 55 89.089 -0.026 17.338 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.681 0.999 17.146 1.00 0.00 H new ATOM 0 HG2 LYS A 55 86.775 -1.199 17.011 1.00 0.00 H new ATOM 0 HG3 LYS A 55 86.896 -0.713 15.331 1.00 0.00 H new ATOM 0 HD2 LYS A 55 87.875 -2.883 15.343 1.00 0.00 H new ATOM 0 HD3 LYS A 55 89.264 -1.815 15.358 1.00 0.00 H new ATOM 0 HE2 LYS A 55 89.677 -2.173 17.691 1.00 0.00 H new ATOM 0 HE3 LYS A 55 88.054 -2.765 17.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 89.974 -4.453 17.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 88.512 -4.798 16.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 89.834 -4.201 16.102 1.00 0.00 H new ATOM 844 N GLY A 56 89.515 3.159 14.599 1.00 0.00 N ATOM 845 CA GLY A 56 89.684 4.604 14.714 1.00 0.00 C ATOM 846 C GLY A 56 88.445 5.358 14.237 1.00 0.00 C ATOM 847 O GLY A 56 88.124 6.426 14.757 1.00 0.00 O ATOM 0 H GLY A 56 89.751 2.774 13.684 1.00 0.00 H new ATOM 0 HA2 GLY A 56 89.891 4.865 15.752 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.548 4.917 14.128 1.00 0.00 H new ATOM 851 N ILE A 57 87.755 4.804 13.245 1.00 0.00 N ATOM 852 CA ILE A 57 86.556 5.448 12.711 1.00 0.00 C ATOM 853 C ILE A 57 85.549 4.408 12.241 1.00 0.00 C ATOM 854 O ILE A 57 85.784 3.206 12.356 1.00 0.00 O ATOM 855 CB ILE A 57 86.925 6.369 11.543 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.476 5.535 10.372 1.00 0.00 C ATOM 857 CG2 ILE A 57 87.991 7.367 12.003 1.00 0.00 C ATOM 858 CD1 ILE A 57 86.346 5.165 9.399 1.00 0.00 C ATOM 0 H ILE A 57 88.000 3.921 12.798 1.00 0.00 H new ATOM 0 HA ILE A 57 86.105 6.039 13.508 1.00 0.00 H new ATOM 0 HB ILE A 57 86.036 6.906 11.213 1.00 0.00 H new ATOM 0 HG12 ILE A 57 88.247 6.099 9.847 1.00 0.00 H new ATOM 0 HG13 ILE A 57 87.948 4.629 10.753 1.00 0.00 H new ATOM 0 HG21 ILE A 57 88.256 8.024 11.175 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.600 7.963 12.828 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.877 6.826 12.335 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.752 4.576 8.577 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.590 4.582 9.925 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.893 6.075 9.004 1.00 0.00 H new ATOM 870 N THR A 58 84.424 4.882 11.709 1.00 0.00 N ATOM 871 CA THR A 58 83.379 3.988 11.220 1.00 0.00 C ATOM 872 C THR A 58 83.049 4.277 9.761 1.00 0.00 C ATOM 873 O THR A 58 83.000 5.435 9.342 1.00 0.00 O ATOM 874 CB THR A 58 82.116 4.151 12.073 1.00 0.00 C ATOM 875 OG1 THR A 58 82.356 3.633 13.374 1.00 0.00 O ATOM 876 CG2 THR A 58 80.955 3.395 11.426 1.00 0.00 C ATOM 0 H THR A 58 84.214 5.875 11.606 1.00 0.00 H new ATOM 0 HA THR A 58 83.745 2.964 11.295 1.00 0.00 H new ATOM 0 HB THR A 58 81.860 5.208 12.143 1.00 0.00 H new ATOM 0 HG1 THR A 58 81.579 3.809 13.945 1.00 0.00 H new ATOM 0 HG21 THR A 58 80.059 3.513 12.035 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.771 3.795 10.429 1.00 0.00 H new ATOM 0 HG23 THR A 58 81.206 2.337 11.352 1.00 0.00 H new ATOM 884 N TRP A 59 82.815 3.215 8.994 1.00 0.00 N ATOM 885 CA TRP A 59 82.479 3.365 7.586 1.00 0.00 C ATOM 886 C TRP A 59 81.148 4.092 7.436 1.00 0.00 C ATOM 887 O TRP A 59 80.201 3.840 8.180 1.00 0.00 O ATOM 888 CB TRP A 59 82.386 1.993 6.912 1.00 0.00 C ATOM 889 CG TRP A 59 83.504 1.114 7.383 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.794 1.498 7.507 1.00 0.00 C ATOM 891 CD2 TRP A 59 83.454 -0.288 7.788 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.538 0.423 7.959 1.00 0.00 N ATOM 893 CE2 TRP A 59 84.755 -0.698 8.153 1.00 0.00 C ATOM 894 CE3 TRP A 59 82.418 -1.232 7.876 1.00 0.00 C ATOM 895 CZ2 TRP A 59 85.016 -1.999 8.592 1.00 0.00 C ATOM 896 CZ3 TRP A 59 82.680 -2.542 8.313 1.00 0.00 C ATOM 897 CH2 TRP A 59 83.976 -2.922 8.671 1.00 0.00 C ATOM 0 H TRP A 59 82.852 2.250 9.323 1.00 0.00 H new ATOM 0 HA TRP A 59 83.265 3.948 7.107 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.427 1.530 7.142 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.433 2.107 5.829 1.00 0.00 H new ATOM 0 HD1 TRP A 59 85.180 2.483 7.289 1.00 0.00 H new ATOM 0 HE1 TRP A 59 86.543 0.454 8.129 1.00 0.00 H new ATOM 0 HE3 TRP A 59 81.411 -0.949 7.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 86.019 -2.287 8.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 81.875 -3.259 8.372 1.00 0.00 H new ATOM 0 HH2 TRP A 59 84.171 -3.929 9.008 1.00 0.00 H new ATOM 908 N LYS A 60 81.086 4.995 6.467 1.00 0.00 N ATOM 909 CA LYS A 60 79.873 5.762 6.213 1.00 0.00 C ATOM 910 C LYS A 60 79.868 6.243 4.768 1.00 0.00 C ATOM 911 O LYS A 60 80.626 5.737 3.944 1.00 0.00 O ATOM 912 CB LYS A 60 79.798 6.958 7.169 1.00 0.00 C ATOM 913 CG LYS A 60 79.588 6.457 8.602 1.00 0.00 C ATOM 914 CD LYS A 60 79.161 7.622 9.503 1.00 0.00 C ATOM 915 CE LYS A 60 80.371 8.503 9.814 1.00 0.00 C ATOM 916 NZ LYS A 60 80.011 9.482 10.879 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.862 5.215 5.843 1.00 0.00 H new ATOM 0 HA LYS A 60 79.003 5.127 6.381 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.715 7.543 7.108 1.00 0.00 H new ATOM 0 HB3 LYS A 60 78.980 7.617 6.880 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.827 5.677 8.616 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.508 6.012 8.980 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.387 8.211 9.010 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.730 7.240 10.428 1.00 0.00 H new ATOM 0 HE2 LYS A 60 81.209 7.887 10.140 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.692 9.029 8.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.834 10.082 11.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 79.224 10.077 10.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.724 8.971 11.738 1.00 0.00 H new ATOM 930 N GLU A 61 79.017 7.213 4.456 1.00 0.00 N ATOM 931 CA GLU A 61 78.947 7.729 3.095 1.00 0.00 C ATOM 932 C GLU A 61 80.126 8.654 2.804 1.00 0.00 C ATOM 933 O GLU A 61 80.902 8.414 1.877 1.00 0.00 O ATOM 934 CB GLU A 61 77.636 8.491 2.889 1.00 0.00 C ATOM 935 CG GLU A 61 77.413 8.729 1.395 1.00 0.00 C ATOM 936 CD GLU A 61 76.107 9.484 1.175 1.00 0.00 C ATOM 937 OE1 GLU A 61 75.697 10.196 2.077 1.00 0.00 O ATOM 938 OE2 GLU A 61 75.535 9.340 0.107 1.00 0.00 O1- ATOM 0 H GLU A 61 78.375 7.652 5.116 1.00 0.00 H new ATOM 0 HA GLU A 61 78.988 6.883 2.408 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.804 7.923 3.306 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.669 9.443 3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.245 9.298 0.981 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.385 7.776 0.867 1.00 0.00 H new ATOM 945 N GLU A 62 80.257 9.712 3.598 1.00 0.00 N ATOM 946 CA GLU A 62 81.345 10.666 3.405 1.00 0.00 C ATOM 947 C GLU A 62 82.686 10.041 3.771 1.00 0.00 C ATOM 948 O GLU A 62 83.695 10.288 3.111 1.00 0.00 O ATOM 949 CB GLU A 62 81.109 11.911 4.260 1.00 0.00 C ATOM 950 CG GLU A 62 79.705 12.457 3.993 1.00 0.00 C ATOM 951 CD GLU A 62 79.511 13.777 4.731 1.00 0.00 C ATOM 952 OE1 GLU A 62 80.314 14.673 4.524 1.00 0.00 O ATOM 953 OE2 GLU A 62 78.563 13.874 5.492 1.00 0.00 O1- ATOM 0 H GLU A 62 79.631 9.930 4.373 1.00 0.00 H new ATOM 0 HA GLU A 62 81.367 10.948 2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 62 81.220 11.666 5.316 1.00 0.00 H new ATOM 0 HB3 GLU A 62 81.856 12.671 4.029 1.00 0.00 H new ATOM 0 HG2 GLU A 62 79.560 12.604 2.923 1.00 0.00 H new ATOM 0 HG3 GLU A 62 78.957 11.735 4.319 1.00 0.00 H new ATOM 960 N THR A 63 82.694 9.229 4.820 1.00 0.00 N ATOM 961 CA THR A 63 83.924 8.578 5.249 1.00 0.00 C ATOM 962 C THR A 63 84.472 7.717 4.124 1.00 0.00 C ATOM 963 O THR A 63 85.685 7.613 3.938 1.00 0.00 O ATOM 964 CB THR A 63 83.666 7.705 6.476 1.00 0.00 C ATOM 965 OG1 THR A 63 82.745 6.680 6.140 1.00 0.00 O ATOM 966 CG2 THR A 63 83.092 8.561 7.601 1.00 0.00 C ATOM 0 H THR A 63 81.873 9.007 5.383 1.00 0.00 H new ATOM 0 HA THR A 63 84.651 9.348 5.508 1.00 0.00 H new ATOM 0 HB THR A 63 84.603 7.257 6.807 1.00 0.00 H new ATOM 0 HG1 THR A 63 83.215 5.959 5.671 1.00 0.00 H new ATOM 0 HG21 THR A 63 82.908 7.937 8.476 1.00 0.00 H new ATOM 0 HG22 THR A 63 83.802 9.347 7.859 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.155 9.011 7.274 1.00 0.00 H new ATOM 974 N LEU A 64 83.567 7.105 3.369 1.00 0.00 N ATOM 975 CA LEU A 64 83.976 6.259 2.258 1.00 0.00 C ATOM 976 C LEU A 64 84.610 7.108 1.163 1.00 0.00 C ATOM 977 O LEU A 64 85.565 6.684 0.517 1.00 0.00 O ATOM 978 CB LEU A 64 82.771 5.500 1.685 1.00 0.00 C ATOM 979 CG LEU A 64 82.866 4.005 2.015 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.504 3.346 1.768 1.00 0.00 C ATOM 981 CD2 LEU A 64 83.920 3.346 1.117 1.00 0.00 C ATOM 0 H LEU A 64 82.559 7.178 3.504 1.00 0.00 H new ATOM 0 HA LEU A 64 84.705 5.537 2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.848 5.910 2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.729 5.637 0.604 1.00 0.00 H new ATOM 0 HG LEU A 64 83.152 3.880 3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.566 2.283 2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.753 3.814 2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.223 3.472 0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 64 83.986 2.284 1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.636 3.469 0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.888 3.816 1.287 1.00 0.00 H new ATOM 993 N MET A 65 84.066 8.307 0.954 1.00 0.00 N ATOM 994 CA MET A 65 84.593 9.197 -0.074 1.00 0.00 C ATOM 995 C MET A 65 86.077 9.457 0.150 1.00 0.00 C ATOM 996 O MET A 65 86.901 9.200 -0.727 1.00 0.00 O ATOM 997 CB MET A 65 83.835 10.525 -0.063 1.00 0.00 C ATOM 998 CG MET A 65 82.363 10.270 -0.379 1.00 0.00 C ATOM 999 SD MET A 65 81.415 11.786 -0.092 1.00 0.00 S ATOM 1000 CE MET A 65 81.053 12.159 -1.822 1.00 0.00 C ATOM 0 H MET A 65 83.272 8.678 1.476 1.00 0.00 H new ATOM 0 HA MET A 65 84.461 8.714 -1.042 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.932 11.004 0.911 1.00 0.00 H new ATOM 0 HB3 MET A 65 84.263 11.207 -0.797 1.00 0.00 H new ATOM 0 HG2 MET A 65 82.252 9.949 -1.415 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.980 9.464 0.247 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.464 13.074 -1.881 1.00 0.00 H new ATOM 0 HE2 MET A 65 81.987 12.292 -2.369 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.490 11.336 -2.261 1.00 0.00 H new ATOM 1010 N GLU A 66 86.411 9.960 1.333 1.00 0.00 N ATOM 1011 CA GLU A 66 87.802 10.240 1.662 1.00 0.00 C ATOM 1012 C GLU A 66 88.627 8.962 1.555 1.00 0.00 C ATOM 1013 O GLU A 66 89.810 8.995 1.221 1.00 0.00 O ATOM 1014 CB GLU A 66 87.900 10.800 3.081 1.00 0.00 C ATOM 1015 CG GLU A 66 86.984 12.017 3.215 1.00 0.00 C ATOM 1016 CD GLU A 66 87.190 12.678 4.574 1.00 0.00 C ATOM 1017 OE1 GLU A 66 86.510 12.288 5.508 1.00 0.00 O ATOM 1018 OE2 GLU A 66 88.025 13.563 4.660 1.00 0.00 O1- ATOM 0 H GLU A 66 85.745 10.180 2.073 1.00 0.00 H new ATOM 0 HA GLU A 66 88.191 10.978 0.960 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.616 10.036 3.805 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.930 11.081 3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 66 87.195 12.731 2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 66 85.943 11.713 3.103 1.00 0.00 H new ATOM 1025 N TYR A 67 87.981 7.836 1.835 1.00 0.00 N ATOM 1026 CA TYR A 67 88.644 6.541 1.762 1.00 0.00 C ATOM 1027 C TYR A 67 88.761 6.096 0.309 1.00 0.00 C ATOM 1028 O TYR A 67 89.661 5.337 -0.052 1.00 0.00 O ATOM 1029 CB TYR A 67 87.840 5.512 2.561 1.00 0.00 C ATOM 1030 CG TYR A 67 88.400 4.125 2.348 1.00 0.00 C ATOM 1031 CD1 TYR A 67 89.403 3.636 3.194 1.00 0.00 C ATOM 1032 CD2 TYR A 67 87.906 3.323 1.312 1.00 0.00 C ATOM 1033 CE1 TYR A 67 89.914 2.347 3.003 1.00 0.00 C ATOM 1034 CE2 TYR A 67 88.418 2.035 1.119 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.421 1.546 1.965 1.00 0.00 C ATOM 1036 OH TYR A 67 89.924 0.275 1.775 1.00 0.00 O ATOM 0 H TYR A 67 87.001 7.794 2.114 1.00 0.00 H new ATOM 0 HA TYR A 67 89.645 6.624 2.185 1.00 0.00 H new ATOM 0 HB2 TYR A 67 87.868 5.763 3.621 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.795 5.540 2.254 1.00 0.00 H new ATOM 0 HD1 TYR A 67 89.783 4.254 3.994 1.00 0.00 H new ATOM 0 HD2 TYR A 67 87.130 3.698 0.662 1.00 0.00 H new ATOM 0 HE1 TYR A 67 90.688 1.970 3.655 1.00 0.00 H new ATOM 0 HE2 TYR A 67 88.040 1.418 0.317 1.00 0.00 H new ATOM 0 HH TYR A 67 90.024 0.103 0.815 1.00 0.00 H new ATOM 1046 N LEU A 68 87.841 6.580 -0.519 1.00 0.00 N ATOM 1047 CA LEU A 68 87.833 6.234 -1.935 1.00 0.00 C ATOM 1048 C LEU A 68 88.849 7.083 -2.699 1.00 0.00 C ATOM 1049 O LEU A 68 89.315 6.691 -3.767 1.00 0.00 O ATOM 1050 CB LEU A 68 86.426 6.449 -2.517 1.00 0.00 C ATOM 1051 CG LEU A 68 85.570 5.187 -2.335 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.143 5.466 -2.807 1.00 0.00 C ATOM 1053 CD2 LEU A 68 86.142 4.031 -3.155 1.00 0.00 C ATOM 0 H LEU A 68 87.093 7.212 -0.234 1.00 0.00 H new ATOM 0 HA LEU A 68 88.109 5.185 -2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 68 85.947 7.295 -2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.498 6.697 -3.576 1.00 0.00 H new ATOM 0 HG LEU A 68 85.572 4.915 -1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.535 4.570 -2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.718 6.280 -2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 68 84.156 5.747 -3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.524 3.144 -3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.152 4.303 -4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 68 87.159 3.820 -2.826 1.00 0.00 H new ATOM 1065 N GLU A 69 89.193 8.242 -2.143 1.00 0.00 N ATOM 1066 CA GLU A 69 90.160 9.132 -2.785 1.00 0.00 C ATOM 1067 C GLU A 69 91.567 8.835 -2.277 1.00 0.00 C ATOM 1068 O GLU A 69 92.553 9.368 -2.786 1.00 0.00 O ATOM 1069 CB GLU A 69 89.794 10.598 -2.502 1.00 0.00 C ATOM 1070 CG GLU A 69 90.550 11.113 -1.272 1.00 0.00 C ATOM 1071 CD GLU A 69 89.907 12.401 -0.767 1.00 0.00 C ATOM 1072 OE1 GLU A 69 88.690 12.474 -0.777 1.00 0.00 O ATOM 1073 OE2 GLU A 69 90.642 13.294 -0.379 1.00 0.00 O1- ATOM 0 H GLU A 69 88.821 8.586 -1.258 1.00 0.00 H new ATOM 0 HA GLU A 69 90.134 8.963 -3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 69 90.036 11.213 -3.369 1.00 0.00 H new ATOM 0 HB3 GLU A 69 88.720 10.686 -2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 69 90.539 10.358 -0.486 1.00 0.00 H new ATOM 0 HG3 GLU A 69 91.595 11.293 -1.526 1.00 0.00 H new ATOM 1080 N ASN A 70 91.643 7.982 -1.265 1.00 0.00 N ATOM 1081 CA ASN A 70 92.924 7.610 -0.676 1.00 0.00 C ATOM 1082 C ASN A 70 92.703 6.581 0.432 1.00 0.00 C ATOM 1083 O ASN A 70 92.789 6.893 1.621 1.00 0.00 O ATOM 1084 CB ASN A 70 93.622 8.862 -0.121 1.00 0.00 C ATOM 1085 CG ASN A 70 94.939 9.105 -0.856 1.00 0.00 C ATOM 1086 OD1 ASN A 70 94.991 9.904 -1.792 1.00 0.00 O ATOM 1087 ND2 ASN A 70 96.012 8.458 -0.487 1.00 0.00 N ATOM 0 H ASN A 70 90.834 7.534 -0.834 1.00 0.00 H new ATOM 0 HA ASN A 70 93.562 7.166 -1.440 1.00 0.00 H new ATOM 0 HB2 ASN A 70 92.971 9.729 -0.232 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.810 8.739 0.946 1.00 0.00 H new ATOM 0 HD21 ASN A 70 96.894 8.614 -0.974 1.00 0.00 H new ATOM 0 HD22 ASN A 70 95.967 7.797 0.288 1.00 0.00 H new ATOM 1094 N PRO A 71 92.405 5.370 0.053 1.00 0.00 N ATOM 1095 CA PRO A 71 92.145 4.255 1.013 1.00 0.00 C ATOM 1096 C PRO A 71 93.240 4.112 2.070 1.00 0.00 C ATOM 1097 O PRO A 71 92.971 3.713 3.204 1.00 0.00 O ATOM 1098 CB PRO A 71 92.093 3.012 0.116 1.00 0.00 C ATOM 1099 CG PRO A 71 91.719 3.515 -1.240 1.00 0.00 C ATOM 1100 CD PRO A 71 92.283 4.930 -1.346 1.00 0.00 C ATOM 0 HA PRO A 71 91.232 4.423 1.584 1.00 0.00 H new ATOM 0 HB2 PRO A 71 93.057 2.503 0.094 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.361 2.293 0.484 1.00 0.00 H new ATOM 0 HG2 PRO A 71 92.131 2.874 -2.019 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.637 3.518 -1.368 1.00 0.00 H new ATOM 0 HD2 PRO A 71 93.248 4.938 -1.853 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.620 5.583 -1.913 1.00 0.00 H new ATOM 1108 N LYS A 72 94.474 4.417 1.687 1.00 0.00 N ATOM 1109 CA LYS A 72 95.602 4.292 2.606 1.00 0.00 C ATOM 1110 C LYS A 72 95.716 5.500 3.532 1.00 0.00 C ATOM 1111 O LYS A 72 95.890 5.345 4.740 1.00 0.00 O ATOM 1112 CB LYS A 72 96.897 4.142 1.801 1.00 0.00 C ATOM 1113 CG LYS A 72 98.084 3.886 2.745 1.00 0.00 C ATOM 1114 CD LYS A 72 98.152 2.400 3.131 1.00 0.00 C ATOM 1115 CE LYS A 72 98.351 1.530 1.882 1.00 0.00 C ATOM 1116 NZ LYS A 72 99.271 0.403 2.205 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.719 4.750 0.755 1.00 0.00 H new ATOM 0 HA LYS A 72 95.435 3.411 3.226 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.801 3.318 1.094 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.076 5.044 1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 72 99.013 4.185 2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 72 97.982 4.497 3.642 1.00 0.00 H new ATOM 0 HD2 LYS A 72 98.972 2.237 3.830 1.00 0.00 H new ATOM 0 HD3 LYS A 72 97.235 2.108 3.642 1.00 0.00 H new ATOM 0 HE2 LYS A 72 97.392 1.144 1.538 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.763 2.129 1.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 99.789 0.121 1.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 99.948 0.705 2.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 98.720 -0.405 2.558 1.00 0.00 H new ATOM 1130 N LYS A 73 95.645 6.698 2.965 1.00 0.00 N ATOM 1131 CA LYS A 73 95.773 7.908 3.769 1.00 0.00 C ATOM 1132 C LYS A 73 94.719 7.954 4.875 1.00 0.00 C ATOM 1133 O LYS A 73 94.975 8.474 5.961 1.00 0.00 O ATOM 1134 CB LYS A 73 95.644 9.152 2.882 1.00 0.00 C ATOM 1135 CG LYS A 73 96.538 10.273 3.426 1.00 0.00 C ATOM 1136 CD LYS A 73 96.146 11.610 2.784 1.00 0.00 C ATOM 1137 CE LYS A 73 95.034 12.274 3.602 1.00 0.00 C ATOM 1138 NZ LYS A 73 94.408 13.362 2.800 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.502 6.858 1.968 1.00 0.00 H new ATOM 0 HA LYS A 73 96.759 7.895 4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 73 95.930 8.911 1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 73 94.606 9.484 2.854 1.00 0.00 H new ATOM 0 HG2 LYS A 73 96.438 10.337 4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 73 97.584 10.051 3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 73 97.014 12.267 2.733 1.00 0.00 H new ATOM 0 HD3 LYS A 73 95.809 11.447 1.760 1.00 0.00 H new ATOM 0 HE2 LYS A 73 94.283 11.535 3.881 1.00 0.00 H new ATOM 0 HE3 LYS A 73 95.442 12.679 4.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 93.653 13.813 3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 95.128 14.071 2.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 94.005 12.963 1.928 1.00 0.00 H new ATOM 1152 N TYR A 74 93.534 7.418 4.596 1.00 0.00 N ATOM 1153 CA TYR A 74 92.460 7.422 5.586 1.00 0.00 C ATOM 1154 C TYR A 74 92.811 6.515 6.762 1.00 0.00 C ATOM 1155 O TYR A 74 92.846 6.958 7.910 1.00 0.00 O ATOM 1156 CB TYR A 74 91.144 6.965 4.941 1.00 0.00 C ATOM 1157 CG TYR A 74 89.986 7.707 5.573 1.00 0.00 C ATOM 1158 CD1 TYR A 74 89.893 9.097 5.442 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.008 7.006 6.292 1.00 0.00 C ATOM 1160 CE1 TYR A 74 88.827 9.788 6.029 1.00 0.00 C ATOM 1161 CE2 TYR A 74 87.941 7.697 6.878 1.00 0.00 C ATOM 1162 CZ TYR A 74 87.850 9.088 6.747 1.00 0.00 C ATOM 1163 OH TYR A 74 86.798 9.768 7.325 1.00 0.00 O ATOM 0 H TYR A 74 93.294 6.981 3.706 1.00 0.00 H new ATOM 0 HA TYR A 74 92.337 8.439 5.958 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.168 7.154 3.868 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.016 5.891 5.073 1.00 0.00 H new ATOM 0 HD1 TYR A 74 90.645 9.638 4.887 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.078 5.933 6.394 1.00 0.00 H new ATOM 0 HE1 TYR A 74 88.758 10.861 5.928 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.187 7.157 7.432 1.00 0.00 H new ATOM 0 HH TYR A 74 86.616 10.584 6.814 1.00 0.00 H new ATOM 1173 N ILE A 75 93.080 5.245 6.467 1.00 0.00 N ATOM 1174 CA ILE A 75 93.438 4.282 7.505 1.00 0.00 C ATOM 1175 C ILE A 75 94.752 3.590 7.147 1.00 0.00 C ATOM 1176 O ILE A 75 94.774 2.401 6.833 1.00 0.00 O ATOM 1177 CB ILE A 75 92.324 3.240 7.659 1.00 0.00 C ATOM 1178 CG1 ILE A 75 90.987 3.956 7.883 1.00 0.00 C ATOM 1179 CG2 ILE A 75 92.622 2.339 8.862 1.00 0.00 C ATOM 1180 CD1 ILE A 75 89.834 2.975 7.663 1.00 0.00 C ATOM 0 H ILE A 75 93.057 4.861 5.523 1.00 0.00 H new ATOM 0 HA ILE A 75 93.563 4.811 8.450 1.00 0.00 H new ATOM 0 HB ILE A 75 92.271 2.632 6.756 1.00 0.00 H new ATOM 0 HG12 ILE A 75 90.945 4.361 8.894 1.00 0.00 H new ATOM 0 HG13 ILE A 75 90.896 4.799 7.198 1.00 0.00 H new ATOM 0 HG21 ILE A 75 91.828 1.600 8.968 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.574 1.830 8.709 1.00 0.00 H new ATOM 0 HG23 ILE A 75 92.677 2.945 9.766 1.00 0.00 H new ATOM 0 HD11 ILE A 75 88.885 3.487 7.823 1.00 0.00 H new ATOM 0 HD12 ILE A 75 89.872 2.592 6.643 1.00 0.00 H new ATOM 0 HD13 ILE A 75 89.922 2.146 8.366 1.00 0.00 H new ATOM 1192 N PRO A 76 95.840 4.321 7.181 1.00 0.00 N ATOM 1193 CA PRO A 76 97.188 3.782 6.846 1.00 0.00 C ATOM 1194 C PRO A 76 97.412 2.384 7.412 1.00 0.00 C ATOM 1195 O PRO A 76 97.190 2.142 8.596 1.00 0.00 O ATOM 1196 CB PRO A 76 98.139 4.795 7.481 1.00 0.00 C ATOM 1197 CG PRO A 76 97.396 6.092 7.461 1.00 0.00 C ATOM 1198 CD PRO A 76 95.903 5.747 7.546 1.00 0.00 C ATOM 0 HA PRO A 76 97.332 3.667 5.772 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.400 4.506 8.499 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.071 4.866 6.920 1.00 0.00 H new ATOM 0 HG2 PRO A 76 97.696 6.722 8.298 1.00 0.00 H new ATOM 0 HG3 PRO A 76 97.613 6.648 6.549 1.00 0.00 H new ATOM 0 HD2 PRO A 76 95.511 5.919 8.548 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.313 6.359 6.864 1.00 0.00 H new ATOM 1206 N GLY A 77 97.854 1.471 6.553 1.00 0.00 N ATOM 1207 CA GLY A 77 98.105 0.094 6.969 1.00 0.00 C ATOM 1208 C GLY A 77 97.131 -0.856 6.286 1.00 0.00 C ATOM 1209 O GLY A 77 97.447 -2.020 6.049 1.00 0.00 O ATOM 0 H GLY A 77 98.045 1.658 5.569 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.129 -0.186 6.721 1.00 0.00 H new ATOM 0 HA3 GLY A 77 98.005 0.011 8.051 1.00 0.00 H new ATOM 1213 N THR A 78 95.944 -0.347 5.968 1.00 0.00 N ATOM 1214 CA THR A 78 94.929 -1.158 5.308 1.00 0.00 C ATOM 1215 C THR A 78 95.489 -1.762 4.026 1.00 0.00 C ATOM 1216 O THR A 78 96.104 -1.066 3.218 1.00 0.00 O ATOM 1217 CB THR A 78 93.709 -0.299 4.979 1.00 0.00 C ATOM 1218 OG1 THR A 78 92.666 -1.130 4.489 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.087 0.729 3.918 1.00 0.00 C ATOM 0 H THR A 78 95.664 0.616 6.155 1.00 0.00 H new ATOM 0 HA THR A 78 94.633 -1.963 5.981 1.00 0.00 H new ATOM 0 HB THR A 78 93.369 0.216 5.878 1.00 0.00 H new ATOM 0 HG1 THR A 78 91.882 -0.581 4.279 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.218 1.344 3.681 1.00 0.00 H new ATOM 0 HG22 THR A 78 94.889 1.364 4.296 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.425 0.215 3.018 1.00 0.00 H new ATOM 1227 N LYS A 79 95.282 -3.062 3.846 1.00 0.00 N ATOM 1228 CA LYS A 79 95.785 -3.738 2.653 1.00 0.00 C ATOM 1229 C LYS A 79 94.900 -3.439 1.445 1.00 0.00 C ATOM 1230 O LYS A 79 93.931 -4.149 1.182 1.00 0.00 O ATOM 1231 CB LYS A 79 95.838 -5.250 2.895 1.00 0.00 C ATOM 1232 CG LYS A 79 96.618 -5.935 1.763 1.00 0.00 C ATOM 1233 CD LYS A 79 98.113 -5.943 2.094 1.00 0.00 C ATOM 1234 CE LYS A 79 98.884 -6.618 0.958 1.00 0.00 C ATOM 1235 NZ LYS A 79 98.189 -7.874 0.559 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.778 -3.662 4.499 1.00 0.00 H new ATOM 0 HA LYS A 79 96.789 -3.368 2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 79 96.314 -5.457 3.853 1.00 0.00 H new ATOM 0 HB3 LYS A 79 94.827 -5.654 2.948 1.00 0.00 H new ATOM 0 HG2 LYS A 79 96.260 -6.956 1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 79 96.447 -5.411 0.823 1.00 0.00 H new ATOM 0 HD2 LYS A 79 98.471 -4.923 2.234 1.00 0.00 H new ATOM 0 HD3 LYS A 79 98.286 -6.473 3.030 1.00 0.00 H new ATOM 0 HE2 LYS A 79 98.957 -5.944 0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 79 99.902 -6.840 1.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 98.854 -8.493 0.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 97.840 -8.362 1.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 97.387 -7.645 -0.063 1.00 0.00 H new ATOM 1249 N MET A 80 95.248 -2.385 0.708 1.00 0.00 N ATOM 1250 CA MET A 80 94.484 -2.002 -0.477 1.00 0.00 C ATOM 1251 C MET A 80 95.138 -0.812 -1.177 1.00 0.00 C ATOM 1252 O MET A 80 94.915 0.339 -0.804 1.00 0.00 O ATOM 1253 CB MET A 80 93.048 -1.638 -0.091 1.00 0.00 C ATOM 1254 CG MET A 80 92.307 -1.109 -1.323 1.00 0.00 C ATOM 1255 SD MET A 80 90.531 -1.029 -0.979 1.00 0.00 S ATOM 1256 CE MET A 80 90.120 0.254 -2.187 1.00 0.00 C ATOM 0 H MET A 80 96.048 -1.785 0.909 1.00 0.00 H new ATOM 0 HA MET A 80 94.469 -2.852 -1.159 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.534 -2.513 0.308 1.00 0.00 H new ATOM 0 HB3 MET A 80 93.052 -0.884 0.696 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.681 -0.120 -1.587 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.493 -1.759 -2.178 1.00 0.00 H new ATOM 0 HE1 MET A 80 89.090 0.578 -2.037 1.00 0.00 H new ATOM 0 HE2 MET A 80 90.790 1.104 -2.057 1.00 0.00 H new ATOM 0 HE3 MET A 80 90.232 -0.146 -3.195 1.00 0.00 H new ATOM 1266 N ILE A 81 95.945 -1.100 -2.195 1.00 0.00 N ATOM 1267 CA ILE A 81 96.628 -0.051 -2.948 1.00 0.00 C ATOM 1268 C ILE A 81 96.482 -0.288 -4.449 1.00 0.00 C ATOM 1269 O ILE A 81 97.378 -0.840 -5.089 1.00 0.00 O ATOM 1270 CB ILE A 81 98.113 -0.024 -2.575 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.261 0.236 -1.066 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.811 1.092 -3.358 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.263 -1.093 -0.298 1.00 0.00 C ATOM 0 H ILE A 81 96.142 -2.048 -2.517 1.00 0.00 H new ATOM 0 HA ILE A 81 96.173 0.907 -2.697 1.00 0.00 H new ATOM 0 HB ILE A 81 98.568 -0.983 -2.821 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.186 0.778 -0.872 1.00 0.00 H new ATOM 0 HG13 ILE A 81 97.443 0.866 -0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 81 99.869 1.114 -3.095 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.707 0.907 -4.427 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.355 2.051 -3.110 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.368 -0.896 0.769 1.00 0.00 H new ATOM 0 HD12 ILE A 81 97.326 -1.619 -0.479 1.00 0.00 H new ATOM 0 HD13 ILE A 81 99.096 -1.708 -0.638 1.00 0.00 H new ATOM 1285 N PHE A 82 95.348 0.133 -5.005 1.00 0.00 N ATOM 1286 CA PHE A 82 95.088 -0.035 -6.434 1.00 0.00 C ATOM 1287 C PHE A 82 95.060 1.317 -7.138 1.00 0.00 C ATOM 1288 O PHE A 82 95.985 1.664 -7.873 1.00 0.00 O ATOM 1289 CB PHE A 82 93.748 -0.746 -6.639 1.00 0.00 C ATOM 1290 CG PHE A 82 93.464 -0.878 -8.118 1.00 0.00 C ATOM 1291 CD1 PHE A 82 94.283 -1.687 -8.915 1.00 0.00 C ATOM 1292 CD2 PHE A 82 92.384 -0.196 -8.690 1.00 0.00 C ATOM 1293 CE1 PHE A 82 94.022 -1.813 -10.285 1.00 0.00 C ATOM 1294 CE2 PHE A 82 92.124 -0.321 -10.061 1.00 0.00 C ATOM 1295 CZ PHE A 82 92.942 -1.130 -10.858 1.00 0.00 C ATOM 0 H PHE A 82 94.596 0.592 -4.490 1.00 0.00 H new ATOM 0 HA PHE A 82 95.890 -0.637 -6.862 1.00 0.00 H new ATOM 0 HB2 PHE A 82 93.773 -1.732 -6.174 1.00 0.00 H new ATOM 0 HB3 PHE A 82 92.949 -0.185 -6.154 1.00 0.00 H new ATOM 0 HD1 PHE A 82 95.116 -2.214 -8.473 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.751 0.426 -8.075 1.00 0.00 H new ATOM 0 HE1 PHE A 82 94.654 -2.437 -10.900 1.00 0.00 H new ATOM 0 HE2 PHE A 82 91.292 0.207 -10.503 1.00 0.00 H new ATOM 0 HZ PHE A 82 92.740 -1.228 -11.915 1.00 0.00 H new ATOM 1305 N ALA A 83 93.993 2.076 -6.908 1.00 0.00 N ATOM 1306 CA ALA A 83 93.854 3.389 -7.525 1.00 0.00 C ATOM 1307 C ALA A 83 92.639 4.118 -6.960 1.00 0.00 C ATOM 1308 O ALA A 83 91.500 3.697 -7.162 1.00 0.00 O ATOM 1309 CB ALA A 83 93.702 3.240 -9.041 1.00 0.00 C ATOM 0 H ALA A 83 93.217 1.806 -6.303 1.00 0.00 H new ATOM 0 HA ALA A 83 94.749 3.971 -7.305 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.599 4.226 -9.495 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.583 2.744 -9.448 1.00 0.00 H new ATOM 0 HB3 ALA A 83 92.816 2.644 -9.261 1.00 0.00 H new ATOM 1315 N GLY A 84 92.890 5.211 -6.248 1.00 0.00 N ATOM 1316 CA GLY A 84 91.808 5.988 -5.655 1.00 0.00 C ATOM 1317 C GLY A 84 90.943 6.630 -6.735 1.00 0.00 C ATOM 1318 O GLY A 84 91.242 6.529 -7.924 1.00 0.00 O ATOM 0 H GLY A 84 93.825 5.577 -6.068 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.193 5.343 -5.027 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.222 6.761 -5.008 1.00 0.00 H new ATOM 1322 N ILE A 85 89.872 7.295 -6.312 1.00 0.00 N ATOM 1323 CA ILE A 85 88.971 7.956 -7.251 1.00 0.00 C ATOM 1324 C ILE A 85 89.465 9.371 -7.542 1.00 0.00 C ATOM 1325 O ILE A 85 90.249 9.930 -6.775 1.00 0.00 O ATOM 1326 CB ILE A 85 87.555 8.001 -6.671 1.00 0.00 C ATOM 1327 CG1 ILE A 85 86.993 6.572 -6.562 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.653 8.843 -7.576 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.309 6.167 -7.873 1.00 0.00 C ATOM 0 H ILE A 85 89.608 7.390 -5.331 1.00 0.00 H new ATOM 0 HA ILE A 85 88.953 7.392 -8.183 1.00 0.00 H new ATOM 0 HB ILE A 85 87.588 8.451 -5.679 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.798 5.874 -6.333 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.280 6.516 -5.740 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.646 8.873 -7.160 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.048 9.857 -7.642 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.621 8.400 -8.572 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.917 5.154 -7.781 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.491 6.855 -8.084 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.033 6.203 -8.687 1.00 0.00 H new ATOM 1341 N LYS A 86 89.019 9.941 -8.658 1.00 0.00 N ATOM 1342 CA LYS A 86 89.445 11.285 -9.042 1.00 0.00 C ATOM 1343 C LYS A 86 88.393 12.336 -8.689 1.00 0.00 C ATOM 1344 O LYS A 86 88.602 13.156 -7.794 1.00 0.00 O ATOM 1345 CB LYS A 86 89.723 11.328 -10.547 1.00 0.00 C ATOM 1346 CG LYS A 86 90.287 12.703 -10.933 1.00 0.00 C ATOM 1347 CD LYS A 86 91.256 12.555 -12.111 1.00 0.00 C ATOM 1348 CE LYS A 86 91.888 13.912 -12.430 1.00 0.00 C ATOM 1349 NZ LYS A 86 93.118 13.706 -13.245 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.369 9.499 -9.308 1.00 0.00 H new ATOM 0 HA LYS A 86 90.353 11.517 -8.485 1.00 0.00 H new ATOM 0 HB2 LYS A 86 90.432 10.545 -10.818 1.00 0.00 H new ATOM 0 HB3 LYS A 86 88.805 11.133 -11.101 1.00 0.00 H new ATOM 0 HG2 LYS A 86 89.474 13.377 -11.202 1.00 0.00 H new ATOM 0 HG3 LYS A 86 90.801 13.147 -10.081 1.00 0.00 H new ATOM 0 HD2 LYS A 86 92.032 11.829 -11.868 1.00 0.00 H new ATOM 0 HD3 LYS A 86 90.727 12.175 -12.985 1.00 0.00 H new ATOM 0 HE2 LYS A 86 91.179 14.537 -12.973 1.00 0.00 H new ATOM 0 HE3 LYS A 86 92.134 14.437 -11.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 93.549 14.627 -13.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 93.795 13.125 -12.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 92.870 13.222 -14.131 1.00 0.00 H new ATOM 1363 N LYS A 87 87.273 12.324 -9.407 1.00 0.00 N ATOM 1364 CA LYS A 87 86.213 13.302 -9.169 1.00 0.00 C ATOM 1365 C LYS A 87 85.313 12.878 -8.012 1.00 0.00 C ATOM 1366 O LYS A 87 85.308 11.717 -7.603 1.00 0.00 O ATOM 1367 CB LYS A 87 85.377 13.477 -10.438 1.00 0.00 C ATOM 1368 CG LYS A 87 86.220 14.176 -11.507 1.00 0.00 C ATOM 1369 CD LYS A 87 85.343 14.511 -12.715 1.00 0.00 C ATOM 1370 CE LYS A 87 86.159 15.311 -13.735 1.00 0.00 C ATOM 1371 NZ LYS A 87 86.387 16.691 -13.219 1.00 0.00 N1+ ATOM 0 H LYS A 87 87.076 11.655 -10.152 1.00 0.00 H new ATOM 0 HA LYS A 87 86.681 14.250 -8.902 1.00 0.00 H new ATOM 0 HB2 LYS A 87 85.040 12.506 -10.802 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.484 14.064 -10.221 1.00 0.00 H new ATOM 0 HG2 LYS A 87 86.659 15.087 -11.100 1.00 0.00 H new ATOM 0 HG3 LYS A 87 87.046 13.533 -11.812 1.00 0.00 H new ATOM 0 HD2 LYS A 87 84.969 13.594 -13.171 1.00 0.00 H new ATOM 0 HD3 LYS A 87 84.473 15.087 -12.398 1.00 0.00 H new ATOM 0 HE2 LYS A 87 87.114 14.818 -13.919 1.00 0.00 H new ATOM 0 HE3 LYS A 87 85.631 15.350 -14.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 86.660 17.315 -14.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 85.513 17.047 -12.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 87.147 16.675 -12.509 1.00 0.00 H new ATOM 1385 N LYS A 88 84.553 13.834 -7.486 1.00 0.00 N ATOM 1386 CA LYS A 88 83.651 13.554 -6.375 1.00 0.00 C ATOM 1387 C LYS A 88 82.493 12.675 -6.832 1.00 0.00 C ATOM 1388 O LYS A 88 82.242 11.621 -6.253 1.00 0.00 O ATOM 1389 CB LYS A 88 83.102 14.861 -5.800 1.00 0.00 C ATOM 1390 CG LYS A 88 82.430 14.586 -4.448 1.00 0.00 C ATOM 1391 CD LYS A 88 81.490 15.746 -4.091 1.00 0.00 C ATOM 1392 CE LYS A 88 80.113 15.514 -4.725 1.00 0.00 C ATOM 1393 NZ LYS A 88 79.448 16.827 -4.958 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.544 14.802 -7.808 1.00 0.00 H new ATOM 0 HA LYS A 88 84.213 13.026 -5.604 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.909 15.583 -5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.384 15.301 -6.492 1.00 0.00 H new ATOM 0 HG2 LYS A 88 81.870 13.652 -4.493 1.00 0.00 H new ATOM 0 HG3 LYS A 88 83.187 14.467 -3.673 1.00 0.00 H new ATOM 0 HD2 LYS A 88 81.393 15.827 -3.008 1.00 0.00 H new ATOM 0 HD3 LYS A 88 81.909 16.688 -4.445 1.00 0.00 H new ATOM 0 HE2 LYS A 88 80.220 14.976 -5.667 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.499 14.894 -4.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 78.514 16.672 -5.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 79.334 17.324 -4.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 80.032 17.403 -5.597 1.00 0.00 H new ATOM 1407 N THR A 89 81.790 13.112 -7.874 1.00 0.00 N ATOM 1408 CA THR A 89 80.661 12.344 -8.386 1.00 0.00 C ATOM 1409 C THR A 89 81.061 10.893 -8.598 1.00 0.00 C ATOM 1410 O THR A 89 80.229 9.992 -8.515 1.00 0.00 O ATOM 1411 CB THR A 89 80.166 12.931 -9.705 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.246 13.012 -10.624 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.590 14.327 -9.464 1.00 0.00 C ATOM 0 H THR A 89 81.979 13.981 -8.373 1.00 0.00 H new ATOM 0 HA THR A 89 79.858 12.393 -7.651 1.00 0.00 H new ATOM 0 HB THR A 89 79.388 12.288 -10.117 1.00 0.00 H new ATOM 0 HG1 THR A 89 80.927 13.387 -11.471 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.238 14.743 -10.408 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.758 14.261 -8.763 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.364 14.973 -9.049 1.00 0.00 H new ATOM 1421 N GLU A 90 82.342 10.668 -8.863 1.00 0.00 N ATOM 1422 CA GLU A 90 82.828 9.314 -9.066 1.00 0.00 C ATOM 1423 C GLU A 90 82.743 8.558 -7.749 1.00 0.00 C ATOM 1424 O GLU A 90 82.424 7.372 -7.716 1.00 0.00 O ATOM 1425 CB GLU A 90 84.273 9.332 -9.567 1.00 0.00 C ATOM 1426 CG GLU A 90 84.306 9.724 -11.045 1.00 0.00 C ATOM 1427 CD GLU A 90 85.747 9.936 -11.496 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.618 9.950 -10.642 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 85.959 10.079 -12.689 1.00 0.00 O ATOM 0 H GLU A 90 83.052 11.396 -8.941 1.00 0.00 H new ATOM 0 HA GLU A 90 82.213 8.819 -9.818 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.862 10.038 -8.981 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.726 8.350 -9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.839 8.945 -11.647 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.730 10.636 -11.201 1.00 0.00 H new ATOM 1436 N ARG A 91 83.016 9.272 -6.660 1.00 0.00 N ATOM 1437 CA ARG A 91 82.953 8.681 -5.331 1.00 0.00 C ATOM 1438 C ARG A 91 81.502 8.550 -4.886 1.00 0.00 C ATOM 1439 O ARG A 91 81.073 7.484 -4.453 1.00 0.00 O ATOM 1440 CB ARG A 91 83.710 9.560 -4.332 1.00 0.00 C ATOM 1441 CG ARG A 91 85.202 9.531 -4.657 1.00 0.00 C ATOM 1442 CD ARG A 91 85.987 10.242 -3.550 1.00 0.00 C ATOM 1443 NE ARG A 91 85.983 11.685 -3.775 1.00 0.00 N ATOM 1444 CZ ARG A 91 86.616 12.223 -4.813 1.00 0.00 C ATOM 1445 NH1 ARG A 91 87.266 11.461 -5.651 1.00 0.00 N ATOM 1446 NH2 ARG A 91 86.592 13.515 -4.992 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.282 10.257 -6.674 1.00 0.00 H new ATOM 0 HA ARG A 91 83.411 7.693 -5.366 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.337 10.583 -4.376 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.541 9.203 -3.316 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.543 8.500 -4.753 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.385 10.017 -5.615 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.545 10.017 -2.579 1.00 0.00 H new ATOM 0 HD3 ARG A 91 87.012 9.873 -3.527 1.00 0.00 H new ATOM 0 HE ARG A 91 85.485 12.292 -3.123 1.00 0.00 H new ATOM 0 HH11 ARG A 91 87.289 10.451 -5.510 1.00 0.00 H new ATOM 0 HH12 ARG A 91 87.751 11.876 -6.447 1.00 0.00 H new ATOM 0 HH21 ARG A 91 86.088 14.111 -4.336 1.00 0.00 H new ATOM 0 HH22 ARG A 91 87.077 13.929 -5.788 1.00 0.00 H new ATOM 1460 N GLU A 92 80.752 9.642 -4.999 1.00 0.00 N ATOM 1461 CA GLU A 92 79.348 9.631 -4.606 1.00 0.00 C ATOM 1462 C GLU A 92 78.594 8.562 -5.387 1.00 0.00 C ATOM 1463 O GLU A 92 77.935 7.702 -4.803 1.00 0.00 O ATOM 1464 CB GLU A 92 78.718 10.999 -4.866 1.00 0.00 C ATOM 1465 CG GLU A 92 77.354 11.073 -4.180 1.00 0.00 C ATOM 1466 CD GLU A 92 76.577 12.281 -4.690 1.00 0.00 C ATOM 1467 OE1 GLU A 92 77.080 13.384 -4.553 1.00 0.00 O ATOM 1468 OE2 GLU A 92 75.490 12.086 -5.210 1.00 0.00 O1- ATOM 0 H GLU A 92 81.089 10.536 -5.356 1.00 0.00 H new ATOM 0 HA GLU A 92 79.286 9.406 -3.541 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.369 11.788 -4.490 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.607 11.162 -5.938 1.00 0.00 H new ATOM 0 HG2 GLU A 92 76.791 10.160 -4.374 1.00 0.00 H new ATOM 0 HG3 GLU A 92 77.485 11.144 -3.100 1.00 0.00 H new ATOM 1475 N ASP A 93 78.704 8.614 -6.712 1.00 0.00 N ATOM 1476 CA ASP A 93 78.035 7.633 -7.557 1.00 0.00 C ATOM 1477 C ASP A 93 78.496 6.227 -7.190 1.00 0.00 C ATOM 1478 O ASP A 93 77.683 5.320 -7.014 1.00 0.00 O ATOM 1479 CB ASP A 93 78.345 7.908 -9.030 1.00 0.00 C ATOM 1480 CG ASP A 93 77.824 9.286 -9.423 1.00 0.00 C ATOM 1481 OD1 ASP A 93 76.957 9.791 -8.729 1.00 0.00 O ATOM 1482 OD2 ASP A 93 78.301 9.817 -10.413 1.00 0.00 O1- ATOM 0 H ASP A 93 79.244 9.317 -7.218 1.00 0.00 H new ATOM 0 HA ASP A 93 76.959 7.710 -7.398 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.420 7.854 -9.200 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.885 7.144 -9.656 1.00 0.00 H new ATOM 1487 N LEU A 94 79.810 6.059 -7.066 1.00 0.00 N ATOM 1488 CA LEU A 94 80.376 4.763 -6.708 1.00 0.00 C ATOM 1489 C LEU A 94 79.841 4.311 -5.361 1.00 0.00 C ATOM 1490 O LEU A 94 79.614 3.122 -5.135 1.00 0.00 O ATOM 1491 CB LEU A 94 81.902 4.858 -6.626 1.00 0.00 C ATOM 1492 CG LEU A 94 82.484 3.523 -6.158 1.00 0.00 C ATOM 1493 CD1 LEU A 94 82.037 2.412 -7.107 1.00 0.00 C ATOM 1494 CD2 LEU A 94 84.012 3.607 -6.148 1.00 0.00 C ATOM 0 H LEU A 94 80.498 6.799 -7.207 1.00 0.00 H new ATOM 0 HA LEU A 94 80.093 4.043 -7.476 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.311 5.121 -7.601 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.189 5.651 -5.936 1.00 0.00 H new ATOM 0 HG LEU A 94 82.128 3.304 -5.151 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.451 1.460 -6.774 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.949 2.352 -7.110 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.392 2.629 -8.114 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.427 2.656 -5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.371 3.827 -7.154 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.328 4.399 -5.469 1.00 0.00 H new ATOM 1506 N ILE A 95 79.659 5.268 -4.463 1.00 0.00 N ATOM 1507 CA ILE A 95 79.172 4.961 -3.132 1.00 0.00 C ATOM 1508 C ILE A 95 77.672 4.702 -3.159 1.00 0.00 C ATOM 1509 O ILE A 95 77.147 3.956 -2.334 1.00 0.00 O ATOM 1510 CB ILE A 95 79.515 6.108 -2.173 1.00 0.00 C ATOM 1511 CG1 ILE A 95 81.003 5.993 -1.789 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.641 6.020 -0.914 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.620 7.380 -1.589 1.00 0.00 C ATOM 0 H ILE A 95 79.841 6.257 -4.633 1.00 0.00 H new ATOM 0 HA ILE A 95 79.661 4.054 -2.776 1.00 0.00 H new ATOM 0 HB ILE A 95 79.327 7.066 -2.657 1.00 0.00 H new ATOM 0 HG12 ILE A 95 81.103 5.410 -0.874 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.545 5.458 -2.569 1.00 0.00 H new ATOM 0 HG21 ILE A 95 78.892 6.838 -0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.590 6.090 -1.195 1.00 0.00 H new ATOM 0 HG23 ILE A 95 78.820 5.069 -0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.671 7.275 -1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.539 7.951 -2.514 1.00 0.00 H new ATOM 0 HD13 ILE A 95 81.091 7.902 -0.792 1.00 0.00 H new ATOM 1525 N ALA A 96 76.990 5.302 -4.126 1.00 0.00 N ATOM 1526 CA ALA A 96 75.556 5.104 -4.257 1.00 0.00 C ATOM 1527 C ALA A 96 75.276 3.648 -4.613 1.00 0.00 C ATOM 1528 O ALA A 96 74.289 3.062 -4.163 1.00 0.00 O ATOM 1529 CB ALA A 96 74.999 6.024 -5.342 1.00 0.00 C ATOM 0 H ALA A 96 77.402 5.922 -4.823 1.00 0.00 H new ATOM 0 HA ALA A 96 75.070 5.344 -3.311 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.924 5.869 -5.434 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.195 7.062 -5.074 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.481 5.798 -6.293 1.00 0.00 H new ATOM 1535 N TYR A 97 76.167 3.066 -5.413 1.00 0.00 N ATOM 1536 CA TYR A 97 76.021 1.673 -5.815 1.00 0.00 C ATOM 1537 C TYR A 97 76.471 0.755 -4.684 1.00 0.00 C ATOM 1538 O TYR A 97 75.836 -0.260 -4.408 1.00 0.00 O ATOM 1539 CB TYR A 97 76.851 1.388 -7.071 1.00 0.00 C ATOM 1540 CG TYR A 97 76.915 -0.105 -7.303 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.855 -0.764 -7.938 1.00 0.00 C ATOM 1542 CD2 TYR A 97 78.033 -0.833 -6.877 1.00 0.00 C ATOM 1543 CE1 TYR A 97 75.912 -2.146 -8.145 1.00 0.00 C ATOM 1544 CE2 TYR A 97 78.091 -2.215 -7.085 1.00 0.00 C ATOM 1545 CZ TYR A 97 77.030 -2.872 -7.719 1.00 0.00 C ATOM 1546 OH TYR A 97 77.086 -4.236 -7.922 1.00 0.00 O ATOM 0 H TYR A 97 76.990 3.534 -5.792 1.00 0.00 H new ATOM 0 HA TYR A 97 74.971 1.485 -6.037 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.406 1.882 -7.934 1.00 0.00 H new ATOM 0 HB3 TYR A 97 77.857 1.793 -6.955 1.00 0.00 H new ATOM 0 HD1 TYR A 97 74.992 -0.204 -8.268 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.852 -0.327 -6.387 1.00 0.00 H new ATOM 0 HE1 TYR A 97 75.093 -2.653 -8.634 1.00 0.00 H new ATOM 0 HE2 TYR A 97 78.954 -2.775 -6.757 1.00 0.00 H new ATOM 0 HH TYR A 97 78.015 -4.506 -8.078 1.00 0.00 H new ATOM 1556 N LEU A 98 77.572 1.120 -4.031 1.00 0.00 N ATOM 1557 CA LEU A 98 78.090 0.319 -2.929 1.00 0.00 C ATOM 1558 C LEU A 98 77.037 0.198 -1.830 1.00 0.00 C ATOM 1559 O LEU A 98 77.039 -0.759 -1.061 1.00 0.00 O ATOM 1560 CB LEU A 98 79.361 0.962 -2.358 1.00 0.00 C ATOM 1561 CG LEU A 98 80.558 0.639 -3.265 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.694 1.631 -3.002 1.00 0.00 C ATOM 1563 CD2 LEU A 98 81.059 -0.783 -2.982 1.00 0.00 C ATOM 0 H LEU A 98 78.116 1.956 -4.244 1.00 0.00 H new ATOM 0 HA LEU A 98 78.332 -0.675 -3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 98 79.231 2.042 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.546 0.591 -1.350 1.00 0.00 H new ATOM 0 HG LEU A 98 80.240 0.715 -4.305 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.539 1.396 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 98 81.348 2.644 -3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 98 82.004 1.561 -1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 98 81.908 -1.005 -3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 98 81.367 -0.859 -1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.258 -1.496 -3.177 1.00 0.00 H new ATOM 1575 N LYS A 99 76.138 1.176 -1.765 1.00 0.00 N ATOM 1576 CA LYS A 99 75.083 1.168 -0.756 1.00 0.00 C ATOM 1577 C LYS A 99 73.976 0.196 -1.150 1.00 0.00 C ATOM 1578 O LYS A 99 73.610 -0.690 -0.377 1.00 0.00 O ATOM 1579 CB LYS A 99 74.495 2.576 -0.597 1.00 0.00 C ATOM 1580 CG LYS A 99 75.384 3.413 0.328 1.00 0.00 C ATOM 1581 CD LYS A 99 74.666 4.717 0.690 1.00 0.00 C ATOM 1582 CE LYS A 99 74.576 5.618 -0.544 1.00 0.00 C ATOM 1583 NZ LYS A 99 74.212 7.000 -0.122 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.118 1.979 -2.394 1.00 0.00 H new ATOM 0 HA LYS A 99 75.516 0.848 0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.414 3.058 -1.571 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.487 2.514 -0.188 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.616 2.851 1.232 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.332 3.632 -0.163 1.00 0.00 H new ATOM 0 HD2 LYS A 99 73.667 4.500 1.067 1.00 0.00 H new ATOM 0 HD3 LYS A 99 75.203 5.230 1.488 1.00 0.00 H new ATOM 0 HE2 LYS A 99 75.529 5.626 -1.072 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.831 5.230 -1.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 73.460 7.365 -0.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 73.875 6.985 0.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 75.047 7.616 -0.193 1.00 0.00 H new ATOM 1597 N LYS A 100 73.443 0.368 -2.353 1.00 0.00 N ATOM 1598 CA LYS A 100 72.373 -0.497 -2.835 1.00 0.00 C ATOM 1599 C LYS A 100 72.915 -1.881 -3.178 1.00 0.00 C ATOM 1600 O LYS A 100 72.156 -2.843 -3.293 1.00 0.00 O ATOM 1601 CB LYS A 100 71.722 0.120 -4.073 1.00 0.00 C ATOM 1602 CG LYS A 100 71.226 1.530 -3.737 1.00 0.00 C ATOM 1603 CD LYS A 100 70.267 2.019 -4.830 1.00 0.00 C ATOM 1604 CE LYS A 100 68.839 1.569 -4.509 1.00 0.00 C ATOM 1605 NZ LYS A 100 68.252 2.477 -3.484 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.731 1.094 -3.009 1.00 0.00 H new ATOM 0 HA LYS A 100 71.629 -0.598 -2.045 1.00 0.00 H new ATOM 0 HB2 LYS A 100 72.439 0.160 -4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 100 70.890 -0.500 -4.407 1.00 0.00 H new ATOM 0 HG2 LYS A 100 70.720 1.527 -2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 100 72.072 2.212 -3.651 1.00 0.00 H new ATOM 0 HD2 LYS A 100 70.308 3.106 -4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 100 70.573 1.624 -5.798 1.00 0.00 H new ATOM 0 HE2 LYS A 100 68.230 1.582 -5.413 1.00 0.00 H new ATOM 0 HE3 LYS A 100 68.843 0.543 -4.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 67.565 1.951 -2.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 69.008 2.845 -2.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 67.772 3.270 -3.956 1.00 0.00 H new ATOM 1619 N ALA A 101 74.229 -1.975 -3.339 1.00 0.00 N ATOM 1620 CA ALA A 101 74.863 -3.247 -3.667 1.00 0.00 C ATOM 1621 C ALA A 101 75.165 -4.036 -2.399 1.00 0.00 C ATOM 1622 O ALA A 101 75.187 -5.267 -2.412 1.00 0.00 O ATOM 1623 CB ALA A 101 76.161 -2.999 -4.436 1.00 0.00 C ATOM 0 H ALA A 101 74.874 -1.190 -3.248 1.00 0.00 H new ATOM 0 HA ALA A 101 74.178 -3.825 -4.287 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.629 -3.953 -4.677 1.00 0.00 H new ATOM 0 HB2 ALA A 101 75.941 -2.459 -5.357 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.840 -2.407 -3.822 1.00 0.00 H new ATOM 1629 N THR A 102 75.400 -3.318 -1.306 1.00 0.00 N ATOM 1630 CA THR A 102 75.705 -3.958 -0.030 1.00 0.00 C ATOM 1631 C THR A 102 74.440 -4.125 0.797 1.00 0.00 C ATOM 1632 O THR A 102 74.479 -4.619 1.924 1.00 0.00 O ATOM 1633 CB THR A 102 76.713 -3.113 0.743 1.00 0.00 C ATOM 1634 OG1 THR A 102 76.237 -1.778 0.840 1.00 0.00 O ATOM 1635 CG2 THR A 102 78.051 -3.135 0.009 1.00 0.00 C ATOM 0 H THR A 102 75.386 -2.299 -1.277 1.00 0.00 H new ATOM 0 HA THR A 102 76.129 -4.943 -0.227 1.00 0.00 H new ATOM 0 HB THR A 102 76.843 -3.518 1.746 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.775 -1.196 0.264 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.776 -2.533 0.556 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.411 -4.162 -0.061 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.923 -2.726 -0.993 1.00 0.00 H new ATOM 1643 N ASN A 103 73.320 -3.706 0.223 1.00 0.00 N ATOM 1644 CA ASN A 103 72.035 -3.806 0.899 1.00 0.00 C ATOM 1645 C ASN A 103 71.274 -5.027 0.400 1.00 0.00 C ATOM 1646 O ASN A 103 70.384 -5.540 1.079 1.00 0.00 O ATOM 1647 CB ASN A 103 71.222 -2.541 0.632 1.00 0.00 C ATOM 1648 CG ASN A 103 71.755 -1.394 1.481 1.00 0.00 C ATOM 1649 OD1 ASN A 103 71.028 -0.447 1.777 1.00 0.00 O ATOM 1650 ND2 ASN A 103 72.992 -1.425 1.890 1.00 0.00 N ATOM 0 H ASN A 103 73.276 -3.294 -0.709 1.00 0.00 H new ATOM 0 HA ASN A 103 72.200 -3.912 1.971 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.277 -2.279 -0.425 1.00 0.00 H new ATOM 0 HB3 ASN A 103 70.171 -2.718 0.862 1.00 0.00 H new ATOM 0 HD21 ASN A 103 73.361 -0.662 2.458 1.00 0.00 H new ATOM 0 HD22 ASN A 103 73.591 -2.212 1.642 1.00 0.00 H new ATOM 1657 N GLU A 104 71.636 -5.489 -0.791 1.00 0.00 N ATOM 1658 CA GLU A 104 70.989 -6.657 -1.380 1.00 0.00 C ATOM 1659 C GLU A 104 71.902 -7.311 -2.412 1.00 0.00 C ATOM 1660 O GLU A 104 71.774 -8.508 -2.613 1.00 0.00 O ATOM 1661 CB GLU A 104 69.672 -6.249 -2.045 1.00 0.00 C ATOM 1662 CG GLU A 104 69.960 -5.336 -3.237 1.00 0.00 C ATOM 1663 CD GLU A 104 68.659 -4.743 -3.767 1.00 0.00 C ATOM 1664 OE1 GLU A 104 67.608 -5.200 -3.347 1.00 0.00 O1- ATOM 1665 OE2 GLU A 104 68.732 -3.841 -4.585 1.00 0.00 O ATOM 1666 OXT GLU A 104 72.715 -6.606 -2.986 1.00 0.00 O ATOM 0 H GLU A 104 72.370 -5.076 -1.366 1.00 0.00 H new ATOM 0 HA GLU A 104 70.785 -7.374 -0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 104 69.130 -7.135 -2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 104 69.034 -5.735 -1.326 1.00 0.00 H new ATOM 0 HG2 GLU A 104 70.638 -4.537 -2.938 1.00 0.00 H new ATOM 0 HG3 GLU A 104 70.460 -5.900 -4.025 1.00 0.00 H new TER 1673 GLU A 104 HETATM 1674 FE HEC A 201 89.007 -2.733 -1.226 1.00 0.00 FE HETATM 1675 CHA HEC A 201 89.294 -3.324 2.092 1.00 0.00 C HETATM 1676 CHB HEC A 201 86.418 -0.639 -0.629 1.00 0.00 C HETATM 1677 CHC HEC A 201 88.837 -2.010 -4.525 1.00 0.00 C HETATM 1678 CHD HEC A 201 91.454 -4.987 -1.840 1.00 0.00 C HETATM 1679 NA HEC A 201 88.065 -2.119 0.375 1.00 0.00 N HETATM 1680 C1A HEC A 201 88.328 -2.436 1.688 1.00 0.00 C HETATM 1681 C2A HEC A 201 87.435 -1.749 2.587 1.00 0.00 C HETATM 1682 C3A HEC A 201 86.600 -1.019 1.815 1.00 0.00 C HETATM 1683 C4A HEC A 201 86.999 -1.247 0.452 1.00 0.00 C HETATM 1684 CMA HEC A 201 85.479 -0.154 2.283 1.00 0.00 C HETATM 1685 CAA HEC A 201 87.459 -1.791 4.075 1.00 0.00 C HETATM 1686 CBA HEC A 201 86.589 -2.913 4.649 1.00 0.00 C HETATM 1687 CGA HEC A 201 86.039 -2.496 6.004 1.00 0.00 C HETATM 1688 O1A HEC A 201 84.852 -2.681 6.217 1.00 0.00 O HETATM 1689 O2A HEC A 201 86.812 -1.993 6.807 1.00 0.00 O HETATM 1690 NB HEC A 201 87.880 -1.574 -2.331 1.00 0.00 N HETATM 1691 C1B HEC A 201 86.819 -0.789 -1.929 1.00 0.00 C HETATM 1692 C2B HEC A 201 86.203 -0.116 -3.041 1.00 0.00 C HETATM 1693 C3B HEC A 201 86.901 -0.476 -4.145 1.00 0.00 C HETATM 1694 C4B HEC A 201 87.938 -1.381 -3.693 1.00 0.00 C HETATM 1695 CMB HEC A 201 84.997 0.763 -2.989 1.00 0.00 C HETATM 1696 CAB HEC A 201 86.637 -0.037 -5.552 1.00 0.00 C HETATM 1697 CBB HEC A 201 86.858 1.468 -5.764 1.00 0.00 C HETATM 1698 NC HEC A 201 89.951 -3.345 -2.826 1.00 0.00 N HETATM 1699 C1C HEC A 201 89.773 -2.929 -4.126 1.00 0.00 C HETATM 1700 C2C HEC A 201 90.644 -3.634 -5.032 1.00 0.00 C HETATM 1701 C3C HEC A 201 91.349 -4.514 -4.285 1.00 0.00 C HETATM 1702 C4C HEC A 201 90.926 -4.316 -2.916 1.00 0.00 C HETATM 1703 CMC HEC A 201 90.766 -3.414 -6.500 1.00 0.00 C HETATM 1704 CAC HEC A 201 92.291 -5.560 -4.792 1.00 0.00 C HETATM 1705 CBC HEC A 201 93.464 -4.977 -5.598 1.00 0.00 C HETATM 1706 ND HEC A 201 90.126 -3.897 -0.119 1.00 0.00 N HETATM 1707 C1D HEC A 201 91.089 -4.792 -0.532 1.00 0.00 C HETATM 1708 C2D HEC A 201 91.695 -5.471 0.587 1.00 0.00 C HETATM 1709 C3D HEC A 201 91.100 -4.980 1.701 1.00 0.00 C HETATM 1710 C4D HEC A 201 90.131 -4.013 1.254 1.00 0.00 C HETATM 1711 CMD HEC A 201 92.761 -6.517 0.525 1.00 0.00 C HETATM 1712 CAD HEC A 201 91.398 -5.351 3.116 1.00 0.00 C HETATM 1713 CBD HEC A 201 92.192 -4.268 3.853 1.00 0.00 C HETATM 1714 CGD HEC A 201 92.450 -4.694 5.293 1.00 0.00 C HETATM 1715 O1D HEC A 201 92.435 -5.888 5.549 1.00 0.00 O HETATM 1716 O2D HEC A 201 92.659 -3.821 6.120 1.00 0.00 O HETATM 0 HMD3 HEC A 201 92.400 -7.371 -0.049 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 93.648 -6.105 0.044 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 93.013 -6.840 1.535 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 89.802 -3.594 -6.976 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 91.078 -2.387 -6.689 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 91.507 -4.100 -6.910 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 84.149 0.194 -2.608 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 85.192 1.609 -2.330 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 84.769 1.128 -3.991 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 84.757 -0.759 2.831 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 85.870 0.626 2.937 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 84.990 0.305 1.424 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 93.139 -4.090 3.343 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 91.640 -3.328 3.837 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 93.078 -4.435 -6.461 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 94.036 -4.296 -4.968 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 94.110 -5.787 -5.937 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 86.189 2.029 -5.112 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 87.892 1.721 -5.528 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 86.651 1.723 -6.803 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 85.769 -3.135 3.966 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 87.176 -3.826 4.750 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 90.463 -5.534 3.645 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 91.961 -6.284 3.132 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 88.486 -1.924 4.414 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 87.115 -0.834 4.467 1.00 0.00 H new HETATM 0 HHD HEC A 201 92.223 -5.733 -2.041 1.00 0.00 H new HETATM 0 HHC HEC A 201 88.802 -1.757 -5.585 1.00 0.00 H new HETATM 0 HHB HEC A 201 85.568 0.017 -0.439 1.00 0.00 H new HETATM 0 HHA HEC A 201 89.404 -3.494 3.163 1.00 0.00 H new HETATM 1749 O HOH A 301 80.794 3.120 -0.964 1.00 0.00 O HETATM 1752 O HOH A 302 85.981 5.464 6.345 1.00 0.00 O HETATM 1755 O HOH A 303 82.174 -5.837 5.551 1.00 0.00 O HETATM 1758 O HOH A 304 82.901 -10.007 -0.068 1.00 0.00 O