USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 493 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 CYS SG : rot -76:sc= 2.21 USER MOD Set 1.2: A 105 ASN :FLIP amide:sc= -1.89! C(o=-10!,f=1!) USER MOD Set 1.3: A 106 CYS SG : rot -62:sc= -0.987 USER MOD Set 1.4: A 108 LYS NZ :NH3+ -149:sc= 0.115! (180deg=-2.79!) USER MOD Set 1.5: A 136 CYS SG : rot -46:sc= 1.17 USER MOD Set 1.6: A 139 CYS SG : rot 155:sc= 0.407 USER MOD Set 2.1: A 87 THR OG1 : rot 180:sc= -0.158 USER MOD Set 2.2: A 90 GLN :FLIP amide:sc= -0.0902 F(o=-0.92,f=-0.25) USER MOD Set 3.1: A 81 TYR OH : rot 180:sc=-0.00527 USER MOD Set 3.2: A 91 GLN : amide:sc= -0.813 K(o=-2,f=-4.2) USER MOD Set 3.3: A 127 ASN : amide:sc= -1.16 K(o=-2,f=-5.3!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot -154:sc= 0.236 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.15) USER MOD Single : A 97 SER OG : rot 180:sc=0.000926 USER MOD Single : A 107 GLN :FLIP amide:sc= -0.0738 F(o=-4.1!,f=-0.074) USER MOD Single : A 111 SER OG : rot 180:sc= -0.0908 USER MOD Single : A 115 LYS NZ :NH3+ -170:sc= 1.17 (180deg=0.933) USER MOD Single : A 116 GLN :FLIP amide:sc= -1.64 F(o=-8!,f=-1.6) USER MOD Single : A 118 HIS : no HE2:sc= -2.3! C(o=-2.3!,f=-8.1!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 174:sc= 0.76 (180deg=0.685) USER MOD Single : A 123 GLN :FLIP amide:sc= -0.0102 F(o=-1.2!,f=-0.01) USER MOD Single : A 126 HIS :FLIP no HD1:sc= -0.399 F(o=-2.1,f=-0.4) USER MOD Single : A 133 THR OG1 : rot 71:sc= -6.76! USER MOD Single : A 137 MET CE :methyl -129:sc= -0.398 (180deg=-1.12) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 48 N TYR A 81 53.209 4.267 -6.150 1.00 0.00 N ATOM 49 CA TYR A 81 53.703 5.618 -6.149 1.00 0.00 C ATOM 50 C TYR A 81 54.865 5.732 -5.225 1.00 0.00 C ATOM 51 O TYR A 81 55.262 4.755 -4.624 1.00 0.00 O ATOM 52 CB TYR A 81 52.593 6.570 -5.705 1.00 0.00 C ATOM 53 CG TYR A 81 51.801 6.062 -4.512 1.00 0.00 C ATOM 54 CD1 TYR A 81 52.288 6.133 -3.199 1.00 0.00 C ATOM 55 CD2 TYR A 81 50.552 5.505 -4.707 1.00 0.00 C ATOM 56 CE1 TYR A 81 51.540 5.663 -2.150 1.00 0.00 C ATOM 57 CE2 TYR A 81 49.809 5.050 -3.664 1.00 0.00 C ATOM 58 CZ TYR A 81 50.295 5.126 -2.389 1.00 0.00 C ATOM 59 OH TYR A 81 49.520 4.675 -1.341 1.00 0.00 O ATOM 0 HA TYR A 81 54.023 5.883 -7.157 1.00 0.00 H new ATOM 0 HB2 TYR A 81 53.032 7.536 -5.455 1.00 0.00 H new ATOM 0 HB3 TYR A 81 51.912 6.736 -6.540 1.00 0.00 H new ATOM 0 HD1 TYR A 81 53.261 6.562 -3.012 1.00 0.00 H new ATOM 0 HD2 TYR A 81 50.158 5.430 -5.710 1.00 0.00 H new ATOM 0 HE1 TYR A 81 51.925 5.714 -1.142 1.00 0.00 H new ATOM 0 HE2 TYR A 81 48.832 4.627 -3.843 1.00 0.00 H new ATOM 0 HH TYR A 81 48.671 4.328 -1.687 1.00 0.00 H new ATOM 69 N SER A 82 55.390 6.905 -5.097 1.00 0.00 N ATOM 70 CA SER A 82 56.465 7.141 -4.199 1.00 0.00 C ATOM 71 C SER A 82 55.864 7.664 -2.880 1.00 0.00 C ATOM 72 O SER A 82 54.792 8.284 -2.905 1.00 0.00 O ATOM 73 CB SER A 82 57.383 8.187 -4.797 1.00 0.00 C ATOM 74 OG SER A 82 57.697 7.886 -6.166 1.00 0.00 O ATOM 0 H SER A 82 55.083 7.728 -5.615 1.00 0.00 H new ATOM 0 HA SER A 82 57.035 6.230 -4.019 1.00 0.00 H new ATOM 0 HB2 SER A 82 56.909 9.167 -4.738 1.00 0.00 H new ATOM 0 HB3 SER A 82 58.303 8.242 -4.215 1.00 0.00 H new ATOM 0 HG SER A 82 58.289 8.579 -6.526 1.00 0.00 H new ATOM 80 N LEU A 83 56.523 7.441 -1.755 1.00 0.00 N ATOM 81 CA LEU A 83 55.957 7.874 -0.484 1.00 0.00 C ATOM 82 C LEU A 83 57.057 8.020 0.557 1.00 0.00 C ATOM 83 O LEU A 83 58.225 7.650 0.318 1.00 0.00 O ATOM 84 CB LEU A 83 54.959 6.806 0.020 1.00 0.00 C ATOM 85 CG LEU A 83 53.954 7.212 1.134 1.00 0.00 C ATOM 86 CD1 LEU A 83 52.907 8.173 0.624 1.00 0.00 C ATOM 87 CD2 LEU A 83 53.302 6.005 1.740 1.00 0.00 C ATOM 0 H LEU A 83 57.428 6.975 -1.692 1.00 0.00 H new ATOM 0 HA LEU A 83 55.457 8.831 -0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 83 54.384 6.456 -0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 83 55.536 5.956 0.385 1.00 0.00 H new ATOM 0 HG LEU A 83 54.527 7.723 1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 83 52.225 8.431 1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 83 53.392 9.077 0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 83 52.348 7.705 -0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 83 52.604 6.319 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 83 52.763 5.456 0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 83 54.065 5.361 2.177 1.00 0.00 H new ATOM 99 N TYR A 84 56.680 8.584 1.667 1.00 0.00 N ATOM 100 CA TYR A 84 57.463 8.632 2.867 1.00 0.00 C ATOM 101 C TYR A 84 57.206 7.375 3.594 1.00 0.00 C ATOM 102 O TYR A 84 56.059 7.072 3.932 1.00 0.00 O ATOM 103 CB TYR A 84 57.037 9.818 3.712 1.00 0.00 C ATOM 104 CG TYR A 84 58.002 10.952 3.708 1.00 0.00 C ATOM 105 CD1 TYR A 84 58.673 11.316 2.564 1.00 0.00 C ATOM 106 CD2 TYR A 84 58.275 11.620 4.872 1.00 0.00 C ATOM 107 CE1 TYR A 84 59.600 12.346 2.581 1.00 0.00 C ATOM 108 CE2 TYR A 84 59.194 12.646 4.917 1.00 0.00 C ATOM 109 CZ TYR A 84 59.857 13.008 3.766 1.00 0.00 C ATOM 110 OH TYR A 84 60.789 14.037 3.797 1.00 0.00 O ATOM 0 H TYR A 84 55.775 9.045 1.765 1.00 0.00 H new ATOM 0 HA TYR A 84 58.524 8.742 2.641 1.00 0.00 H new ATOM 0 HB2 TYR A 84 56.072 10.176 3.354 1.00 0.00 H new ATOM 0 HB3 TYR A 84 56.892 9.484 4.739 1.00 0.00 H new ATOM 0 HD1 TYR A 84 58.475 10.792 1.640 1.00 0.00 H new ATOM 0 HD2 TYR A 84 57.758 11.336 5.776 1.00 0.00 H new ATOM 0 HE1 TYR A 84 60.117 12.629 1.676 1.00 0.00 H new ATOM 0 HE2 TYR A 84 59.392 13.161 5.846 1.00 0.00 H new ATOM 0 HH TYR A 84 60.849 14.397 4.707 1.00 0.00 H new ATOM 120 N GLY A 85 58.259 6.634 3.820 1.00 0.00 N ATOM 121 CA GLY A 85 58.139 5.360 4.427 1.00 0.00 C ATOM 122 C GLY A 85 57.471 5.346 5.708 1.00 0.00 C ATOM 123 O GLY A 85 56.693 4.463 5.965 1.00 0.00 O ATOM 0 H GLY A 85 59.214 6.906 3.585 1.00 0.00 H new ATOM 0 HA2 GLY A 85 57.599 4.701 3.747 1.00 0.00 H new ATOM 0 HA3 GLY A 85 59.137 4.940 4.552 1.00 0.00 H new ATOM 127 N THR A 86 57.794 6.300 6.496 1.00 0.00 N ATOM 128 CA THR A 86 57.264 6.505 7.840 1.00 0.00 C ATOM 129 C THR A 86 55.706 6.223 7.961 1.00 0.00 C ATOM 130 O THR A 86 55.230 5.872 9.042 1.00 0.00 O ATOM 131 CB THR A 86 57.608 7.959 8.300 1.00 0.00 C ATOM 132 OG1 THR A 86 57.216 8.200 9.650 1.00 0.00 O ATOM 133 CG2 THR A 86 56.941 8.958 7.399 1.00 0.00 C ATOM 0 H THR A 86 58.472 7.014 6.230 1.00 0.00 H new ATOM 0 HA THR A 86 57.738 5.775 8.496 1.00 0.00 H new ATOM 0 HB THR A 86 58.691 8.069 8.240 1.00 0.00 H new ATOM 0 HG1 THR A 86 57.450 9.118 9.899 1.00 0.00 H new ATOM 0 HG21 THR A 86 57.188 9.967 7.729 1.00 0.00 H new ATOM 0 HG22 THR A 86 57.290 8.815 6.376 1.00 0.00 H new ATOM 0 HG23 THR A 86 55.861 8.818 7.437 1.00 0.00 H new ATOM 141 N THR A 87 54.931 6.392 6.870 1.00 0.00 N ATOM 142 CA THR A 87 53.506 6.113 6.900 1.00 0.00 C ATOM 143 C THR A 87 53.129 4.690 6.401 1.00 0.00 C ATOM 144 O THR A 87 52.009 4.279 6.582 1.00 0.00 O ATOM 145 CB THR A 87 52.707 7.144 6.086 1.00 0.00 C ATOM 146 OG1 THR A 87 53.172 7.142 4.740 1.00 0.00 O ATOM 147 CG2 THR A 87 52.864 8.528 6.661 1.00 0.00 C ATOM 0 H THR A 87 55.278 6.719 5.969 1.00 0.00 H new ATOM 0 HA THR A 87 53.241 6.177 7.955 1.00 0.00 H new ATOM 0 HB THR A 87 51.653 6.871 6.124 1.00 0.00 H new ATOM 0 HG1 THR A 87 52.664 7.797 4.217 1.00 0.00 H new ATOM 0 HG21 THR A 87 52.288 9.237 6.066 1.00 0.00 H new ATOM 0 HG22 THR A 87 52.501 8.538 7.689 1.00 0.00 H new ATOM 0 HG23 THR A 87 53.916 8.811 6.645 1.00 0.00 H new ATOM 155 N LEU A 88 54.065 3.971 5.770 1.00 0.00 N ATOM 156 CA LEU A 88 53.833 2.666 5.066 1.00 0.00 C ATOM 157 C LEU A 88 52.905 1.650 5.703 1.00 0.00 C ATOM 158 O LEU A 88 52.194 0.928 4.968 1.00 0.00 O ATOM 159 CB LEU A 88 55.142 2.019 4.757 1.00 0.00 C ATOM 160 CG LEU A 88 55.630 2.111 3.334 1.00 0.00 C ATOM 161 CD1 LEU A 88 54.969 1.072 2.514 1.00 0.00 C ATOM 162 CD2 LEU A 88 55.301 3.450 2.749 1.00 0.00 C ATOM 0 H LEU A 88 55.038 4.274 5.723 1.00 0.00 H new ATOM 0 HA LEU A 88 53.285 2.972 4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 88 55.900 2.460 5.404 1.00 0.00 H new ATOM 0 HB3 LEU A 88 55.070 0.964 5.023 1.00 0.00 H new ATOM 0 HG LEU A 88 56.711 1.968 3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 88 55.323 1.140 1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 88 55.206 0.087 2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 88 53.890 1.223 2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 88 55.662 3.497 1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 88 54.221 3.597 2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 88 55.781 4.232 3.338 1.00 0.00 H new ATOM 174 N GLU A 89 52.887 1.567 7.003 1.00 0.00 N ATOM 175 CA GLU A 89 52.038 0.611 7.698 1.00 0.00 C ATOM 176 C GLU A 89 50.558 0.877 7.350 1.00 0.00 C ATOM 177 O GLU A 89 49.747 -0.044 7.230 1.00 0.00 O ATOM 178 CB GLU A 89 52.274 0.665 9.218 1.00 0.00 C ATOM 179 CG GLU A 89 53.750 0.539 9.660 1.00 0.00 C ATOM 180 CD GLU A 89 54.423 1.879 9.817 1.00 0.00 C ATOM 181 OE1 GLU A 89 54.357 2.701 8.898 1.00 0.00 O ATOM 182 OE2 GLU A 89 55.001 2.140 10.895 1.00 0.00 O ATOM 0 H GLU A 89 53.453 2.152 7.618 1.00 0.00 H new ATOM 0 HA GLU A 89 52.297 -0.395 7.367 1.00 0.00 H new ATOM 0 HB2 GLU A 89 51.877 1.606 9.598 1.00 0.00 H new ATOM 0 HB3 GLU A 89 51.701 -0.135 9.687 1.00 0.00 H new ATOM 0 HG2 GLU A 89 53.798 -0.001 10.606 1.00 0.00 H new ATOM 0 HG3 GLU A 89 54.296 -0.054 8.927 1.00 0.00 H new ATOM 189 N GLN A 90 50.278 2.145 7.093 1.00 0.00 N ATOM 190 CA GLN A 90 48.973 2.669 6.701 1.00 0.00 C ATOM 191 C GLN A 90 48.511 2.144 5.338 1.00 0.00 C ATOM 192 O GLN A 90 47.310 1.959 5.093 1.00 0.00 O ATOM 193 CB GLN A 90 49.069 4.231 6.718 1.00 0.00 C ATOM 194 CG GLN A 90 48.419 5.024 5.556 1.00 0.00 C ATOM 195 CD GLN A 90 49.267 5.159 4.258 1.00 0.00 C ATOM 196 OE1 GLN A 90 50.585 5.243 4.366 1.00 0.00 O flip ATOM 197 NE2 GLN A 90 48.719 5.213 3.165 1.00 0.00 N flip ATOM 0 H GLN A 90 50.988 2.875 7.154 1.00 0.00 H new ATOM 0 HA GLN A 90 48.217 2.326 7.407 1.00 0.00 H new ATOM 0 HB2 GLN A 90 48.622 4.581 7.649 1.00 0.00 H new ATOM 0 HB3 GLN A 90 50.125 4.498 6.752 1.00 0.00 H new ATOM 0 HG2 GLN A 90 47.474 4.544 5.300 1.00 0.00 H new ATOM 0 HG3 GLN A 90 48.181 6.025 5.915 1.00 0.00 H new ATOM 0 HE21 GLN A 90 47.703 5.147 3.100 1.00 0.00 H new ATOM 0 HE22 GLN A 90 49.278 5.324 2.319 1.00 0.00 H new ATOM 206 N GLN A 91 49.452 1.886 4.480 1.00 0.00 N ATOM 207 CA GLN A 91 49.141 1.570 3.110 1.00 0.00 C ATOM 208 C GLN A 91 48.892 0.081 2.865 1.00 0.00 C ATOM 209 O GLN A 91 47.801 -0.322 2.479 1.00 0.00 O ATOM 210 CB GLN A 91 50.249 2.076 2.206 1.00 0.00 C ATOM 211 CG GLN A 91 49.983 1.860 0.730 1.00 0.00 C ATOM 212 CD GLN A 91 51.113 2.331 -0.134 1.00 0.00 C ATOM 213 OE1 GLN A 91 51.348 1.791 -1.205 1.00 0.00 O ATOM 214 NE2 GLN A 91 51.800 3.347 0.301 1.00 0.00 N ATOM 0 H GLN A 91 50.448 1.887 4.702 1.00 0.00 H new ATOM 0 HA GLN A 91 48.203 2.073 2.876 1.00 0.00 H new ATOM 0 HB2 GLN A 91 50.395 3.141 2.387 1.00 0.00 H new ATOM 0 HB3 GLN A 91 51.180 1.577 2.474 1.00 0.00 H new ATOM 0 HG2 GLN A 91 49.808 0.800 0.547 1.00 0.00 H new ATOM 0 HG3 GLN A 91 49.071 2.386 0.448 1.00 0.00 H new ATOM 0 HE21 GLN A 91 51.572 3.769 1.201 1.00 0.00 H new ATOM 0 HE22 GLN A 91 52.567 3.721 -0.258 1.00 0.00 H new ATOM 223 N TYR A 92 49.887 -0.726 3.099 1.00 0.00 N ATOM 224 CA TYR A 92 49.802 -2.126 2.734 1.00 0.00 C ATOM 225 C TYR A 92 49.027 -2.975 3.710 1.00 0.00 C ATOM 226 O TYR A 92 48.473 -3.996 3.320 1.00 0.00 O ATOM 227 CB TYR A 92 51.172 -2.721 2.591 1.00 0.00 C ATOM 228 CG TYR A 92 51.921 -2.225 1.426 1.00 0.00 C ATOM 229 CD1 TYR A 92 52.498 -0.998 1.457 1.00 0.00 C ATOM 230 CD2 TYR A 92 52.072 -2.996 0.285 1.00 0.00 C ATOM 231 CE1 TYR A 92 53.207 -0.535 0.409 1.00 0.00 C ATOM 232 CE2 TYR A 92 52.778 -2.526 -0.762 1.00 0.00 C ATOM 233 CZ TYR A 92 53.348 -1.286 -0.688 1.00 0.00 C ATOM 234 OH TYR A 92 54.089 -0.819 -1.705 1.00 0.00 O ATOM 0 H TYR A 92 50.765 -0.449 3.538 1.00 0.00 H new ATOM 0 HA TYR A 92 49.263 -2.134 1.787 1.00 0.00 H new ATOM 0 HB2 TYR A 92 51.744 -2.511 3.494 1.00 0.00 H new ATOM 0 HB3 TYR A 92 51.080 -3.805 2.517 1.00 0.00 H new ATOM 0 HD1 TYR A 92 52.387 -0.381 2.337 1.00 0.00 H new ATOM 0 HD2 TYR A 92 51.622 -3.977 0.235 1.00 0.00 H new ATOM 0 HE1 TYR A 92 53.662 0.444 0.455 1.00 0.00 H new ATOM 0 HE2 TYR A 92 52.893 -3.125 -1.653 1.00 0.00 H new ATOM 0 HH TYR A 92 53.787 -1.226 -2.544 1.00 0.00 H new ATOM 244 N ASN A 93 49.035 -2.568 5.008 1.00 0.00 N ATOM 245 CA ASN A 93 48.480 -3.395 6.151 1.00 0.00 C ATOM 246 C ASN A 93 49.420 -4.564 6.400 1.00 0.00 C ATOM 247 O ASN A 93 49.178 -5.474 7.193 1.00 0.00 O ATOM 248 CB ASN A 93 47.067 -3.913 5.881 1.00 0.00 C ATOM 249 CG ASN A 93 46.027 -2.806 5.786 1.00 0.00 C ATOM 250 OD1 ASN A 93 45.749 -2.278 4.700 1.00 0.00 O ATOM 251 ND2 ASN A 93 45.443 -2.448 6.908 1.00 0.00 N ATOM 0 H ASN A 93 49.418 -1.671 5.305 1.00 0.00 H new ATOM 0 HA ASN A 93 48.411 -2.752 7.028 1.00 0.00 H new ATOM 0 HB2 ASN A 93 47.068 -4.482 4.951 1.00 0.00 H new ATOM 0 HB3 ASN A 93 46.782 -4.602 6.676 1.00 0.00 H new ATOM 0 HD21 ASN A 93 44.736 -1.713 6.903 1.00 0.00 H new ATOM 0 HD22 ASN A 93 45.697 -2.905 7.784 1.00 0.00 H new ATOM 258 N LYS A 94 50.491 -4.457 5.723 1.00 0.00 N ATOM 259 CA LYS A 94 51.600 -5.328 5.646 1.00 0.00 C ATOM 260 C LYS A 94 52.754 -4.361 5.697 1.00 0.00 C ATOM 261 O LYS A 94 53.177 -3.817 4.685 1.00 0.00 O ATOM 262 CB LYS A 94 51.493 -6.010 4.289 1.00 0.00 C ATOM 263 CG LYS A 94 52.706 -6.697 3.681 1.00 0.00 C ATOM 264 CD LYS A 94 52.968 -8.025 4.310 1.00 0.00 C ATOM 265 CE LYS A 94 53.744 -8.963 3.411 1.00 0.00 C ATOM 266 NZ LYS A 94 53.904 -10.275 4.051 1.00 0.00 N ATOM 0 H LYS A 94 50.633 -3.643 5.125 1.00 0.00 H new ATOM 0 HA LYS A 94 51.685 -6.100 6.411 1.00 0.00 H new ATOM 0 HB2 LYS A 94 50.702 -6.757 4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 94 51.155 -5.259 3.575 1.00 0.00 H new ATOM 0 HG2 LYS A 94 52.550 -6.827 2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 94 53.582 -6.060 3.801 1.00 0.00 H new ATOM 0 HD2 LYS A 94 53.522 -7.879 5.237 1.00 0.00 H new ATOM 0 HD3 LYS A 94 52.018 -8.489 4.576 1.00 0.00 H new ATOM 0 HE2 LYS A 94 53.224 -9.077 2.460 1.00 0.00 H new ATOM 0 HE3 LYS A 94 54.723 -8.538 3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 54.453 -10.901 3.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 54.404 -10.161 4.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 52.968 -10.694 4.224 1.00 0.00 H new ATOM 280 N PRO A 95 53.151 -3.999 6.891 1.00 0.00 N ATOM 281 CA PRO A 95 54.132 -2.955 7.099 1.00 0.00 C ATOM 282 C PRO A 95 55.507 -3.390 6.698 1.00 0.00 C ATOM 283 O PRO A 95 55.692 -4.494 6.310 1.00 0.00 O ATOM 284 CB PRO A 95 54.072 -2.705 8.595 1.00 0.00 C ATOM 285 CG PRO A 95 53.601 -3.990 9.179 1.00 0.00 C ATOM 286 CD PRO A 95 52.681 -4.584 8.155 1.00 0.00 C ATOM 0 HA PRO A 95 53.922 -2.070 6.499 1.00 0.00 H new ATOM 0 HB2 PRO A 95 55.050 -2.427 8.989 1.00 0.00 H new ATOM 0 HB3 PRO A 95 53.389 -1.889 8.832 1.00 0.00 H new ATOM 0 HG2 PRO A 95 54.438 -4.656 9.387 1.00 0.00 H new ATOM 0 HG3 PRO A 95 53.082 -3.825 10.123 1.00 0.00 H new ATOM 0 HD2 PRO A 95 52.744 -5.672 8.142 1.00 0.00 H new ATOM 0 HD3 PRO A 95 51.640 -4.328 8.354 1.00 0.00 H new ATOM 294 N LEU A 96 56.467 -2.529 6.857 1.00 0.00 N ATOM 295 CA LEU A 96 57.856 -2.822 6.545 1.00 0.00 C ATOM 296 C LEU A 96 58.325 -3.991 7.367 1.00 0.00 C ATOM 297 O LEU A 96 59.047 -4.815 6.894 1.00 0.00 O ATOM 298 CB LEU A 96 58.678 -1.607 6.847 1.00 0.00 C ATOM 299 CG LEU A 96 58.429 -0.444 5.932 1.00 0.00 C ATOM 300 CD1 LEU A 96 57.438 0.463 6.499 1.00 0.00 C ATOM 301 CD2 LEU A 96 59.677 0.272 5.606 1.00 0.00 C ATOM 0 H LEU A 96 56.317 -1.585 7.212 1.00 0.00 H new ATOM 0 HA LEU A 96 57.960 -3.080 5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 96 58.479 -1.295 7.872 1.00 0.00 H new ATOM 0 HB3 LEU A 96 59.733 -1.875 6.794 1.00 0.00 H new ATOM 0 HG LEU A 96 58.030 -0.843 4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 96 57.276 1.297 5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 96 56.500 -0.071 6.649 1.00 0.00 H new ATOM 0 HD13 LEU A 96 57.797 0.842 7.456 1.00 0.00 H new ATOM 0 HD21 LEU A 96 59.455 1.107 4.942 1.00 0.00 H new ATOM 0 HD22 LEU A 96 60.131 0.649 6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 96 60.369 -0.410 5.112 1.00 0.00 H new ATOM 313 N SER A 97 57.816 -4.097 8.567 1.00 0.00 N ATOM 314 CA SER A 97 58.122 -5.204 9.455 1.00 0.00 C ATOM 315 C SER A 97 57.634 -6.559 8.862 1.00 0.00 C ATOM 316 O SER A 97 58.088 -7.626 9.262 1.00 0.00 O ATOM 317 CB SER A 97 57.428 -4.937 10.786 1.00 0.00 C ATOM 318 OG SER A 97 57.721 -3.611 11.238 1.00 0.00 O ATOM 0 H SER A 97 57.171 -3.415 8.965 1.00 0.00 H new ATOM 0 HA SER A 97 59.201 -5.279 9.587 1.00 0.00 H new ATOM 0 HB2 SER A 97 56.351 -5.061 10.674 1.00 0.00 H new ATOM 0 HB3 SER A 97 57.758 -5.664 11.529 1.00 0.00 H new ATOM 0 HG SER A 97 57.269 -3.449 12.092 1.00 0.00 H new ATOM 324 N ASP A 98 56.738 -6.488 7.883 1.00 0.00 N ATOM 325 CA ASP A 98 56.128 -7.670 7.308 1.00 0.00 C ATOM 326 C ASP A 98 56.394 -7.751 5.791 1.00 0.00 C ATOM 327 O ASP A 98 56.416 -8.829 5.210 1.00 0.00 O ATOM 328 CB ASP A 98 54.609 -7.586 7.526 1.00 0.00 C ATOM 329 CG ASP A 98 53.884 -8.923 7.430 1.00 0.00 C ATOM 330 OD1 ASP A 98 54.289 -9.814 6.654 1.00 0.00 O ATOM 331 OD2 ASP A 98 52.895 -9.115 8.158 1.00 0.00 O ATOM 0 H ASP A 98 56.419 -5.611 7.471 1.00 0.00 H new ATOM 0 HA ASP A 98 56.554 -8.551 7.788 1.00 0.00 H new ATOM 0 HB2 ASP A 98 54.419 -7.153 8.508 1.00 0.00 H new ATOM 0 HB3 ASP A 98 54.186 -6.903 6.789 1.00 0.00 H new ATOM 336 N LEU A 99 56.623 -6.622 5.162 1.00 0.00 N ATOM 337 CA LEU A 99 56.671 -6.547 3.732 1.00 0.00 C ATOM 338 C LEU A 99 58.097 -6.849 3.245 1.00 0.00 C ATOM 339 O LEU A 99 59.070 -6.382 3.874 1.00 0.00 O ATOM 340 CB LEU A 99 56.295 -5.109 3.331 1.00 0.00 C ATOM 341 CG LEU A 99 56.173 -4.787 1.840 1.00 0.00 C ATOM 342 CD1 LEU A 99 54.917 -5.386 1.267 1.00 0.00 C ATOM 343 CD2 LEU A 99 56.198 -3.291 1.614 1.00 0.00 C ATOM 0 H LEU A 99 56.781 -5.732 5.634 1.00 0.00 H new ATOM 0 HA LEU A 99 55.986 -7.269 3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 99 55.342 -4.869 3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 99 57.040 -4.438 3.758 1.00 0.00 H new ATOM 0 HG LEU A 99 57.028 -5.227 1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 99 54.850 -5.145 0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 99 54.940 -6.469 1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 99 54.050 -4.979 1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 99 56.110 -3.083 0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 99 55.365 -2.829 2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 99 57.137 -2.882 1.987 1.00 0.00 H new ATOM 355 N LEU A 100 58.243 -7.646 2.178 1.00 0.00 N ATOM 356 CA LEU A 100 59.557 -7.821 1.580 1.00 0.00 C ATOM 357 C LEU A 100 59.840 -6.511 0.908 1.00 0.00 C ATOM 358 O LEU A 100 59.037 -6.004 0.135 1.00 0.00 O ATOM 359 CB LEU A 100 59.625 -8.957 0.546 1.00 0.00 C ATOM 360 CG LEU A 100 61.042 -9.602 0.241 1.00 0.00 C ATOM 361 CD1 LEU A 100 60.967 -10.576 -0.909 1.00 0.00 C ATOM 362 CD2 LEU A 100 62.129 -8.588 -0.061 1.00 0.00 C ATOM 0 H LEU A 100 57.487 -8.162 1.728 1.00 0.00 H new ATOM 0 HA LEU A 100 60.281 -8.097 2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 100 58.961 -9.754 0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 100 59.221 -8.579 -0.393 1.00 0.00 H new ATOM 0 HG LEU A 100 61.313 -10.117 1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 100 61.954 -11.000 -1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 100 60.269 -11.376 -0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 100 60.624 -10.057 -1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 100 63.067 -9.108 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 100 61.847 -8.002 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 100 62.255 -7.924 0.794 1.00 0.00 H new ATOM 374 N ILE A 101 60.918 -5.963 1.214 1.00 0.00 N ATOM 375 CA ILE A 101 61.227 -4.665 0.809 1.00 0.00 C ATOM 376 C ILE A 101 62.662 -4.642 0.310 1.00 0.00 C ATOM 377 O ILE A 101 63.479 -5.359 0.846 1.00 0.00 O ATOM 378 CB ILE A 101 61.001 -3.826 2.051 1.00 0.00 C ATOM 379 CG1 ILE A 101 59.739 -3.007 1.880 1.00 0.00 C ATOM 380 CG2 ILE A 101 62.212 -2.975 2.409 1.00 0.00 C ATOM 381 CD1 ILE A 101 59.172 -2.406 3.091 1.00 0.00 C ATOM 0 H ILE A 101 61.644 -6.412 1.773 1.00 0.00 H new ATOM 0 HA ILE A 101 60.623 -4.283 -0.014 1.00 0.00 H new ATOM 0 HB ILE A 101 60.866 -4.493 2.902 1.00 0.00 H new ATOM 0 HG12 ILE A 101 59.947 -2.207 1.169 1.00 0.00 H new ATOM 0 HG13 ILE A 101 58.979 -3.645 1.429 1.00 0.00 H new ATOM 0 HG21 ILE A 101 61.996 -2.394 3.306 1.00 0.00 H new ATOM 0 HG22 ILE A 101 63.070 -3.622 2.593 1.00 0.00 H new ATOM 0 HG23 ILE A 101 62.438 -2.299 1.585 1.00 0.00 H new ATOM 0 HD11 ILE A 101 58.273 -1.847 2.833 1.00 0.00 H new ATOM 0 HD12 ILE A 101 58.919 -3.192 3.803 1.00 0.00 H new ATOM 0 HD13 ILE A 101 59.902 -1.732 3.539 1.00 0.00 H new ATOM 393 N ARG A 102 62.977 -3.860 -0.724 1.00 0.00 N ATOM 394 CA ARG A 102 64.334 -3.906 -1.294 1.00 0.00 C ATOM 395 C ARG A 102 64.839 -2.572 -1.715 1.00 0.00 C ATOM 396 O ARG A 102 64.078 -1.689 -1.929 1.00 0.00 O ATOM 397 CB ARG A 102 64.389 -4.819 -2.502 1.00 0.00 C ATOM 398 CG ARG A 102 64.033 -6.232 -2.235 1.00 0.00 C ATOM 399 CD ARG A 102 63.915 -7.029 -3.482 1.00 0.00 C ATOM 400 NE ARG A 102 63.656 -8.394 -3.168 1.00 0.00 N ATOM 401 CZ ARG A 102 64.466 -9.414 -3.486 1.00 0.00 C ATOM 402 NH1 ARG A 102 65.659 -9.185 -4.059 1.00 0.00 N ATOM 403 NH2 ARG A 102 64.107 -10.652 -3.207 1.00 0.00 N ATOM 0 H ARG A 102 62.338 -3.206 -1.175 1.00 0.00 H new ATOM 0 HA ARG A 102 64.966 -4.283 -0.490 1.00 0.00 H new ATOM 0 HB2 ARG A 102 63.716 -4.428 -3.265 1.00 0.00 H new ATOM 0 HB3 ARG A 102 65.396 -4.786 -2.918 1.00 0.00 H new ATOM 0 HG2 ARG A 102 64.790 -6.679 -1.591 1.00 0.00 H new ATOM 0 HG3 ARG A 102 63.089 -6.270 -1.692 1.00 0.00 H new ATOM 0 HD2 ARG A 102 63.111 -6.632 -4.102 1.00 0.00 H new ATOM 0 HD3 ARG A 102 64.834 -6.949 -4.062 1.00 0.00 H new ATOM 0 HE ARG A 102 62.795 -8.610 -2.666 1.00 0.00 H new ATOM 0 HH11 ARG A 102 65.955 -8.229 -4.256 1.00 0.00 H new ATOM 0 HH12 ARG A 102 66.269 -9.967 -4.297 1.00 0.00 H new ATOM 0 HH21 ARG A 102 63.214 -10.833 -2.750 1.00 0.00 H new ATOM 0 HH22 ARG A 102 64.723 -11.428 -3.449 1.00 0.00 H new ATOM 417 N CYS A 103 66.161 -2.456 -1.805 1.00 0.00 N ATOM 418 CA CYS A 103 66.812 -1.311 -2.313 1.00 0.00 C ATOM 419 C CYS A 103 66.336 -1.022 -3.774 1.00 0.00 C ATOM 420 O CYS A 103 66.023 -1.949 -4.514 1.00 0.00 O ATOM 421 CB CYS A 103 68.277 -1.575 -2.337 1.00 0.00 C ATOM 422 SG CYS A 103 69.231 -0.069 -2.089 1.00 0.00 S ATOM 0 H CYS A 103 66.803 -3.192 -1.511 1.00 0.00 H new ATOM 0 HA CYS A 103 66.579 -0.453 -1.682 1.00 0.00 H new ATOM 0 HB2 CYS A 103 68.529 -2.297 -1.560 1.00 0.00 H new ATOM 0 HB3 CYS A 103 68.550 -2.025 -3.291 1.00 0.00 H new ATOM 0 HG CYS A 103 69.216 0.639 -3.179 1.00 0.00 H new ATOM 427 N ILE A 104 66.347 0.225 -4.182 1.00 0.00 N ATOM 428 CA ILE A 104 65.815 0.633 -5.483 1.00 0.00 C ATOM 429 C ILE A 104 66.815 0.520 -6.576 1.00 0.00 C ATOM 430 O ILE A 104 66.497 0.282 -7.731 1.00 0.00 O ATOM 431 CB ILE A 104 65.219 2.079 -5.445 1.00 0.00 C ATOM 432 CG1 ILE A 104 64.306 2.253 -6.609 1.00 0.00 C ATOM 433 CG2 ILE A 104 66.295 3.131 -5.522 1.00 0.00 C ATOM 434 CD1 ILE A 104 63.299 3.303 -6.393 1.00 0.00 C ATOM 0 H ILE A 104 66.723 0.995 -3.628 1.00 0.00 H new ATOM 0 HA ILE A 104 65.009 -0.067 -5.701 1.00 0.00 H new ATOM 0 HB ILE A 104 64.688 2.199 -4.501 1.00 0.00 H new ATOM 0 HG12 ILE A 104 64.895 2.497 -7.493 1.00 0.00 H new ATOM 0 HG13 ILE A 104 63.801 1.309 -6.813 1.00 0.00 H new ATOM 0 HG21 ILE A 104 65.839 4.121 -5.493 1.00 0.00 H new ATOM 0 HG22 ILE A 104 66.974 3.019 -4.677 1.00 0.00 H new ATOM 0 HG23 ILE A 104 66.851 3.015 -6.452 1.00 0.00 H new ATOM 0 HD11 ILE A 104 62.663 3.384 -7.274 1.00 0.00 H new ATOM 0 HD12 ILE A 104 62.688 3.049 -5.527 1.00 0.00 H new ATOM 0 HD13 ILE A 104 63.799 4.256 -6.217 1.00 0.00 H new ATOM 446 N ASN A 105 67.994 0.705 -6.180 1.00 0.00 N ATOM 447 CA ASN A 105 69.149 0.707 -7.004 1.00 0.00 C ATOM 448 C ASN A 105 69.890 -0.575 -6.859 1.00 0.00 C ATOM 449 O ASN A 105 70.549 -1.012 -7.783 1.00 0.00 O ATOM 450 CB ASN A 105 70.032 1.949 -6.687 1.00 0.00 C ATOM 451 CG ASN A 105 69.788 2.507 -5.341 1.00 0.00 C ATOM 452 OD1 ASN A 105 69.747 1.635 -4.401 1.00 0.00 O flip ATOM 453 ND2 ASN A 105 69.712 3.726 -5.137 1.00 0.00 N flip ATOM 0 H ASN A 105 68.213 0.874 -5.198 1.00 0.00 H new ATOM 0 HA ASN A 105 68.851 0.784 -8.050 1.00 0.00 H new ATOM 0 HB2 ASN A 105 71.083 1.672 -6.774 1.00 0.00 H new ATOM 0 HB3 ASN A 105 69.844 2.721 -7.433 1.00 0.00 H new ATOM 0 HD21 ASN A 105 69.750 4.378 -5.921 1.00 0.00 H new ATOM 0 HD22 ASN A 105 69.612 4.079 -4.185 1.00 0.00 H new ATOM 460 N CYS A 106 69.754 -1.253 -5.721 1.00 0.00 N ATOM 461 CA CYS A 106 70.455 -2.497 -5.667 1.00 0.00 C ATOM 462 C CYS A 106 69.550 -3.719 -5.667 1.00 0.00 C ATOM 463 O CYS A 106 70.001 -4.817 -5.942 1.00 0.00 O ATOM 464 CB CYS A 106 71.658 -2.583 -4.683 1.00 0.00 C ATOM 465 SG CYS A 106 71.319 -2.737 -2.901 1.00 0.00 S ATOM 0 H CYS A 106 69.212 -0.982 -4.901 1.00 0.00 H new ATOM 0 HA CYS A 106 70.963 -2.516 -6.631 1.00 0.00 H new ATOM 0 HB2 CYS A 106 72.267 -3.437 -4.979 1.00 0.00 H new ATOM 0 HB3 CYS A 106 72.268 -1.691 -4.828 1.00 0.00 H new ATOM 0 HG CYS A 106 70.684 -1.681 -2.487 1.00 0.00 H new ATOM 470 N GLN A 107 68.253 -3.509 -5.371 1.00 0.00 N ATOM 471 CA GLN A 107 67.253 -4.557 -5.358 1.00 0.00 C ATOM 472 C GLN A 107 67.480 -5.599 -4.293 1.00 0.00 C ATOM 473 O GLN A 107 66.882 -6.678 -4.290 1.00 0.00 O ATOM 474 CB GLN A 107 67.038 -5.143 -6.695 1.00 0.00 C ATOM 475 CG GLN A 107 65.977 -4.386 -7.471 1.00 0.00 C ATOM 476 CD GLN A 107 66.472 -3.242 -8.369 1.00 0.00 C ATOM 477 OE1 GLN A 107 67.433 -2.499 -7.925 1.00 0.00 O flip ATOM 478 NE2 GLN A 107 65.893 -2.984 -9.431 1.00 0.00 N flip ATOM 0 H GLN A 107 67.881 -2.590 -5.133 1.00 0.00 H new ATOM 0 HA GLN A 107 66.320 -4.067 -5.078 1.00 0.00 H new ATOM 0 HB2 GLN A 107 67.975 -5.133 -7.253 1.00 0.00 H new ATOM 0 HB3 GLN A 107 66.740 -6.186 -6.592 1.00 0.00 H new ATOM 0 HG2 GLN A 107 65.436 -5.099 -8.093 1.00 0.00 H new ATOM 0 HG3 GLN A 107 65.261 -3.976 -6.759 1.00 0.00 H new ATOM 0 HE21 GLN A 107 65.138 -3.586 -9.759 1.00 0.00 H new ATOM 0 HE22 GLN A 107 66.171 -2.169 -9.978 1.00 0.00 H new ATOM 487 N LYS A 108 68.306 -5.234 -3.366 1.00 0.00 N ATOM 488 CA LYS A 108 68.609 -5.997 -2.205 1.00 0.00 C ATOM 489 C LYS A 108 67.573 -5.732 -1.168 1.00 0.00 C ATOM 490 O LYS A 108 67.303 -4.600 -0.870 1.00 0.00 O ATOM 491 CB LYS A 108 69.892 -5.495 -1.665 1.00 0.00 C ATOM 492 CG LYS A 108 70.231 -6.069 -0.340 1.00 0.00 C ATOM 493 CD LYS A 108 71.130 -5.172 0.435 1.00 0.00 C ATOM 494 CE LYS A 108 70.341 -4.066 1.096 1.00 0.00 C ATOM 495 NZ LYS A 108 71.216 -3.269 1.969 1.00 0.00 N ATOM 0 H LYS A 108 68.812 -4.349 -3.403 1.00 0.00 H new ATOM 0 HA LYS A 108 68.651 -7.058 -2.451 1.00 0.00 H new ATOM 0 HB2 LYS A 108 70.691 -5.726 -2.369 1.00 0.00 H new ATOM 0 HB3 LYS A 108 69.844 -4.409 -1.582 1.00 0.00 H new ATOM 0 HG2 LYS A 108 69.316 -6.244 0.226 1.00 0.00 H new ATOM 0 HG3 LYS A 108 70.712 -7.038 -0.475 1.00 0.00 H new ATOM 0 HD2 LYS A 108 71.662 -5.748 1.192 1.00 0.00 H new ATOM 0 HD3 LYS A 108 71.883 -4.743 -0.227 1.00 0.00 H new ATOM 0 HE2 LYS A 108 69.892 -3.426 0.337 1.00 0.00 H new ATOM 0 HE3 LYS A 108 69.523 -4.491 1.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 70.664 -2.900 2.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 71.988 -3.867 2.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 71.615 -2.475 1.429 1.00 0.00 H new ATOM 509 N PRO A 109 67.007 -6.752 -0.606 1.00 0.00 N ATOM 510 CA PRO A 109 66.037 -6.600 0.440 1.00 0.00 C ATOM 511 C PRO A 109 66.605 -5.886 1.694 1.00 0.00 C ATOM 512 O PRO A 109 67.638 -6.281 2.242 1.00 0.00 O ATOM 513 CB PRO A 109 65.550 -8.005 0.743 1.00 0.00 C ATOM 514 CG PRO A 109 66.260 -8.923 -0.211 1.00 0.00 C ATOM 515 CD PRO A 109 67.259 -8.137 -0.969 1.00 0.00 C ATOM 0 HA PRO A 109 65.219 -5.952 0.124 1.00 0.00 H new ATOM 0 HB2 PRO A 109 65.769 -8.276 1.776 1.00 0.00 H new ATOM 0 HB3 PRO A 109 64.470 -8.076 0.617 1.00 0.00 H new ATOM 0 HG2 PRO A 109 66.749 -9.730 0.334 1.00 0.00 H new ATOM 0 HG3 PRO A 109 65.546 -9.385 -0.893 1.00 0.00 H new ATOM 0 HD2 PRO A 109 68.275 -8.434 -0.708 1.00 0.00 H new ATOM 0 HD3 PRO A 109 67.148 -8.289 -2.043 1.00 0.00 H new ATOM 523 N LEU A 110 65.922 -4.831 2.103 1.00 0.00 N ATOM 524 CA LEU A 110 66.323 -3.993 3.229 1.00 0.00 C ATOM 525 C LEU A 110 65.616 -4.463 4.423 1.00 0.00 C ATOM 526 O LEU A 110 64.408 -4.686 4.414 1.00 0.00 O ATOM 527 CB LEU A 110 65.968 -2.520 2.984 1.00 0.00 C ATOM 528 CG LEU A 110 66.249 -1.949 1.623 1.00 0.00 C ATOM 529 CD1 LEU A 110 66.036 -0.464 1.649 1.00 0.00 C ATOM 530 CD2 LEU A 110 67.638 -2.253 1.228 1.00 0.00 C ATOM 0 H LEU A 110 65.058 -4.524 1.657 1.00 0.00 H new ATOM 0 HA LEU A 110 67.403 -4.064 3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 110 64.905 -2.393 3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 110 66.506 -1.919 3.717 1.00 0.00 H new ATOM 0 HG LEU A 110 65.571 -2.396 0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 110 66.240 -0.050 0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 110 65.004 -0.249 1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 110 66.709 -0.013 2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 110 67.835 -1.836 0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 110 68.326 -1.814 1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 110 67.780 -3.333 1.201 1.00 0.00 H new ATOM 542 N SER A 111 66.359 -4.652 5.413 1.00 0.00 N ATOM 543 CA SER A 111 65.901 -5.079 6.673 1.00 0.00 C ATOM 544 C SER A 111 65.493 -3.834 7.479 1.00 0.00 C ATOM 545 O SER A 111 65.676 -2.708 6.972 1.00 0.00 O ATOM 546 CB SER A 111 67.054 -5.866 7.277 1.00 0.00 C ATOM 547 OG SER A 111 68.283 -5.364 6.767 1.00 0.00 O ATOM 0 H SER A 111 67.368 -4.508 5.379 1.00 0.00 H new ATOM 0 HA SER A 111 65.020 -5.720 6.645 1.00 0.00 H new ATOM 0 HB2 SER A 111 67.037 -5.783 8.364 1.00 0.00 H new ATOM 0 HB3 SER A 111 66.952 -6.924 7.037 1.00 0.00 H new ATOM 0 HG SER A 111 69.028 -5.868 7.155 1.00 0.00 H new ATOM 553 N PRO A 112 64.904 -3.982 8.710 1.00 0.00 N ATOM 554 CA PRO A 112 64.470 -2.840 9.555 1.00 0.00 C ATOM 555 C PRO A 112 65.504 -1.722 9.625 1.00 0.00 C ATOM 556 O PRO A 112 65.151 -0.558 9.653 1.00 0.00 O ATOM 557 CB PRO A 112 64.276 -3.483 10.918 1.00 0.00 C ATOM 558 CG PRO A 112 63.802 -4.849 10.588 1.00 0.00 C ATOM 559 CD PRO A 112 64.569 -5.270 9.368 1.00 0.00 C ATOM 0 HA PRO A 112 63.578 -2.355 9.159 1.00 0.00 H new ATOM 0 HB2 PRO A 112 65.205 -3.507 11.487 1.00 0.00 H new ATOM 0 HB3 PRO A 112 63.548 -2.939 11.519 1.00 0.00 H new ATOM 0 HG2 PRO A 112 63.980 -5.534 11.417 1.00 0.00 H new ATOM 0 HG3 PRO A 112 62.729 -4.854 10.395 1.00 0.00 H new ATOM 0 HD2 PRO A 112 65.465 -5.832 9.631 1.00 0.00 H new ATOM 0 HD3 PRO A 112 63.971 -5.909 8.718 1.00 0.00 H new ATOM 567 N GLU A 113 66.771 -2.099 9.579 1.00 0.00 N ATOM 568 CA GLU A 113 67.882 -1.165 9.578 1.00 0.00 C ATOM 569 C GLU A 113 67.775 -0.129 8.451 1.00 0.00 C ATOM 570 O GLU A 113 67.957 1.069 8.672 1.00 0.00 O ATOM 571 CB GLU A 113 69.208 -1.925 9.479 1.00 0.00 C ATOM 572 CG GLU A 113 69.285 -2.972 8.355 1.00 0.00 C ATOM 573 CD GLU A 113 70.624 -3.660 8.316 1.00 0.00 C ATOM 574 OE1 GLU A 113 70.806 -4.670 9.040 1.00 0.00 O ATOM 575 OE2 GLU A 113 71.533 -3.196 7.596 1.00 0.00 O ATOM 0 H GLU A 113 67.060 -3.077 9.541 1.00 0.00 H new ATOM 0 HA GLU A 113 67.846 -0.617 10.520 1.00 0.00 H new ATOM 0 HB2 GLU A 113 70.012 -1.203 9.335 1.00 0.00 H new ATOM 0 HB3 GLU A 113 69.394 -2.424 10.430 1.00 0.00 H new ATOM 0 HG2 GLU A 113 68.500 -3.715 8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 113 69.097 -2.489 7.396 1.00 0.00 H new ATOM 582 N GLU A 114 67.447 -0.577 7.262 1.00 0.00 N ATOM 583 CA GLU A 114 67.392 0.295 6.145 1.00 0.00 C ATOM 584 C GLU A 114 65.973 0.788 5.877 1.00 0.00 C ATOM 585 O GLU A 114 65.767 1.832 5.279 1.00 0.00 O ATOM 586 CB GLU A 114 68.073 -0.399 5.007 1.00 0.00 C ATOM 587 CG GLU A 114 69.556 -0.494 5.291 1.00 0.00 C ATOM 588 CD GLU A 114 70.289 -1.440 4.433 1.00 0.00 C ATOM 589 OE1 GLU A 114 69.725 -2.449 4.017 1.00 0.00 O ATOM 590 OE2 GLU A 114 71.470 -1.183 4.140 1.00 0.00 O ATOM 0 H GLU A 114 67.215 -1.549 7.057 1.00 0.00 H new ATOM 0 HA GLU A 114 67.929 1.226 6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 114 67.653 -1.396 4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 114 67.904 0.148 4.079 1.00 0.00 H new ATOM 0 HG2 GLU A 114 69.998 0.496 5.177 1.00 0.00 H new ATOM 0 HG3 GLU A 114 69.694 -0.787 6.332 1.00 0.00 H new ATOM 597 N LYS A 115 65.020 0.049 6.385 1.00 0.00 N ATOM 598 CA LYS A 115 63.604 0.443 6.418 1.00 0.00 C ATOM 599 C LYS A 115 63.426 1.655 7.307 1.00 0.00 C ATOM 600 O LYS A 115 62.678 2.566 6.993 1.00 0.00 O ATOM 601 CB LYS A 115 62.824 -0.718 6.990 1.00 0.00 C ATOM 602 CG LYS A 115 62.584 -1.842 5.990 1.00 0.00 C ATOM 603 CD LYS A 115 62.015 -3.129 6.609 1.00 0.00 C ATOM 604 CE LYS A 115 61.612 -4.097 5.514 1.00 0.00 C ATOM 605 NZ LYS A 115 61.394 -5.488 5.984 1.00 0.00 N ATOM 0 H LYS A 115 65.194 -0.866 6.800 1.00 0.00 H new ATOM 0 HA LYS A 115 63.254 0.693 5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 115 63.361 -1.117 7.851 1.00 0.00 H new ATOM 0 HB3 LYS A 115 61.863 -0.355 7.354 1.00 0.00 H new ATOM 0 HG2 LYS A 115 61.897 -1.488 5.221 1.00 0.00 H new ATOM 0 HG3 LYS A 115 63.525 -2.077 5.493 1.00 0.00 H new ATOM 0 HD2 LYS A 115 62.760 -3.590 7.258 1.00 0.00 H new ATOM 0 HD3 LYS A 115 61.152 -2.892 7.232 1.00 0.00 H new ATOM 0 HE2 LYS A 115 60.697 -3.736 5.044 1.00 0.00 H new ATOM 0 HE3 LYS A 115 62.385 -4.102 4.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 61.289 -6.119 5.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 62.208 -5.793 6.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 60.531 -5.527 6.563 1.00 0.00 H new ATOM 619 N GLN A 116 64.161 1.683 8.398 1.00 0.00 N ATOM 620 CA GLN A 116 64.117 2.773 9.363 1.00 0.00 C ATOM 621 C GLN A 116 64.664 4.037 8.810 1.00 0.00 C ATOM 622 O GLN A 116 64.460 5.086 9.353 1.00 0.00 O ATOM 623 CB GLN A 116 64.820 2.385 10.644 1.00 0.00 C ATOM 624 CG GLN A 116 63.890 2.126 11.843 1.00 0.00 C ATOM 625 CD GLN A 116 62.854 0.987 11.679 1.00 0.00 C ATOM 626 OE1 GLN A 116 62.406 0.724 10.475 1.00 0.00 O flip ATOM 627 NE2 GLN A 116 62.475 0.351 12.657 1.00 0.00 N flip ATOM 0 H GLN A 116 64.816 0.942 8.648 1.00 0.00 H new ATOM 0 HA GLN A 116 63.068 2.959 9.591 1.00 0.00 H new ATOM 0 HB2 GLN A 116 65.409 1.487 10.460 1.00 0.00 H new ATOM 0 HB3 GLN A 116 65.520 3.177 10.911 1.00 0.00 H new ATOM 0 HG2 GLN A 116 64.508 1.903 12.712 1.00 0.00 H new ATOM 0 HG3 GLN A 116 63.352 3.048 12.063 1.00 0.00 H new ATOM 0 HE21 GLN A 116 62.839 0.575 13.583 1.00 0.00 H new ATOM 0 HE22 GLN A 116 61.796 -0.402 12.544 1.00 0.00 H new ATOM 636 N ARG A 117 65.293 3.943 7.708 1.00 0.00 N ATOM 637 CA ARG A 117 65.791 5.143 7.047 1.00 0.00 C ATOM 638 C ARG A 117 64.591 5.836 6.445 1.00 0.00 C ATOM 639 O ARG A 117 64.460 7.052 6.493 1.00 0.00 O ATOM 640 CB ARG A 117 66.739 4.778 5.918 1.00 0.00 C ATOM 641 CG ARG A 117 67.383 5.951 5.211 1.00 0.00 C ATOM 642 CD ARG A 117 68.431 5.453 4.254 1.00 0.00 C ATOM 643 NE ARG A 117 69.427 4.677 4.999 1.00 0.00 N ATOM 644 CZ ARG A 117 69.397 3.359 5.112 1.00 0.00 C ATOM 645 NH1 ARG A 117 68.765 2.633 4.193 1.00 0.00 N ATOM 646 NH2 ARG A 117 70.035 2.772 6.116 1.00 0.00 N ATOM 0 H ARG A 117 65.490 3.067 7.223 1.00 0.00 H new ATOM 0 HA ARG A 117 66.322 5.771 7.762 1.00 0.00 H new ATOM 0 HB2 ARG A 117 67.526 4.139 6.319 1.00 0.00 H new ATOM 0 HB3 ARG A 117 66.192 4.187 5.183 1.00 0.00 H new ATOM 0 HG2 ARG A 117 66.627 6.523 4.672 1.00 0.00 H new ATOM 0 HG3 ARG A 117 67.833 6.625 5.940 1.00 0.00 H new ATOM 0 HD2 ARG A 117 67.973 4.835 3.482 1.00 0.00 H new ATOM 0 HD3 ARG A 117 68.909 6.292 3.749 1.00 0.00 H new ATOM 0 HE ARG A 117 70.186 5.182 5.456 1.00 0.00 H new ATOM 0 HH11 ARG A 117 68.307 3.093 3.406 1.00 0.00 H new ATOM 0 HH12 ARG A 117 68.739 1.617 4.275 1.00 0.00 H new ATOM 0 HH21 ARG A 117 70.545 3.336 6.796 1.00 0.00 H new ATOM 0 HH22 ARG A 117 70.016 1.756 6.208 1.00 0.00 H new ATOM 660 N HIS A 118 63.701 5.028 5.927 1.00 0.00 N ATOM 661 CA HIS A 118 62.510 5.491 5.261 1.00 0.00 C ATOM 662 C HIS A 118 61.453 5.841 6.275 1.00 0.00 C ATOM 663 O HIS A 118 60.556 6.623 6.010 1.00 0.00 O ATOM 664 CB HIS A 118 61.996 4.414 4.303 1.00 0.00 C ATOM 665 CG HIS A 118 63.034 4.015 3.265 1.00 0.00 C ATOM 666 ND1 HIS A 118 63.666 4.918 2.450 1.00 0.00 N ATOM 667 CD2 HIS A 118 63.615 2.826 3.003 1.00 0.00 C ATOM 668 CE1 HIS A 118 64.608 4.274 1.764 1.00 0.00 C ATOM 669 NE2 HIS A 118 64.616 2.998 2.056 1.00 0.00 N ATOM 0 H HIS A 118 63.785 4.012 5.957 1.00 0.00 H new ATOM 0 HA HIS A 118 62.748 6.386 4.686 1.00 0.00 H new ATOM 0 HB2 HIS A 118 61.702 3.534 4.875 1.00 0.00 H new ATOM 0 HB3 HIS A 118 61.102 4.779 3.797 1.00 0.00 H new ATOM 0 HD1 HIS A 118 63.451 5.913 2.381 1.00 0.00 H new ATOM 0 HD2 HIS A 118 63.344 1.886 3.459 1.00 0.00 H new ATOM 0 HE1 HIS A 118 65.278 4.743 1.059 1.00 0.00 H new ATOM 677 N LEU A 119 61.577 5.267 7.446 1.00 0.00 N ATOM 678 CA LEU A 119 60.617 5.492 8.499 1.00 0.00 C ATOM 679 C LEU A 119 61.057 6.602 9.401 1.00 0.00 C ATOM 680 O LEU A 119 60.389 7.613 9.513 1.00 0.00 O ATOM 681 CB LEU A 119 60.389 4.225 9.304 1.00 0.00 C ATOM 682 CG LEU A 119 60.041 2.996 8.495 1.00 0.00 C ATOM 683 CD1 LEU A 119 59.620 1.851 9.378 1.00 0.00 C ATOM 684 CD2 LEU A 119 58.980 3.317 7.511 1.00 0.00 C ATOM 0 H LEU A 119 62.339 4.636 7.695 1.00 0.00 H new ATOM 0 HA LEU A 119 59.676 5.781 8.031 1.00 0.00 H new ATOM 0 HB2 LEU A 119 61.289 4.016 9.882 1.00 0.00 H new ATOM 0 HB3 LEU A 119 59.586 4.408 10.018 1.00 0.00 H new ATOM 0 HG LEU A 119 60.937 2.681 7.959 1.00 0.00 H new ATOM 0 HD11 LEU A 119 59.378 0.986 8.761 1.00 0.00 H new ATOM 0 HD12 LEU A 119 60.434 1.596 10.057 1.00 0.00 H new ATOM 0 HD13 LEU A 119 58.743 2.141 9.956 1.00 0.00 H new ATOM 0 HD21 LEU A 119 58.737 2.425 6.934 1.00 0.00 H new ATOM 0 HD22 LEU A 119 58.090 3.663 8.036 1.00 0.00 H new ATOM 0 HD23 LEU A 119 59.332 4.099 6.839 1.00 0.00 H new ATOM 696 N ASP A 120 62.188 6.420 10.025 1.00 0.00 N ATOM 697 CA ASP A 120 62.719 7.416 10.956 1.00 0.00 C ATOM 698 C ASP A 120 63.065 8.686 10.259 1.00 0.00 C ATOM 699 O ASP A 120 62.499 9.738 10.533 1.00 0.00 O ATOM 700 CB ASP A 120 63.971 6.928 11.626 1.00 0.00 C ATOM 701 CG ASP A 120 64.446 7.908 12.670 1.00 0.00 C ATOM 702 OD1 ASP A 120 63.810 8.001 13.734 1.00 0.00 O ATOM 703 OD2 ASP A 120 65.445 8.620 12.440 1.00 0.00 O ATOM 0 H ASP A 120 62.773 5.592 9.915 1.00 0.00 H new ATOM 0 HA ASP A 120 61.933 7.587 11.692 1.00 0.00 H new ATOM 0 HB2 ASP A 120 63.785 5.959 12.090 1.00 0.00 H new ATOM 0 HB3 ASP A 120 64.752 6.779 10.880 1.00 0.00 H new ATOM 708 N LYS A 121 63.978 8.565 9.326 1.00 0.00 N ATOM 709 CA LYS A 121 64.499 9.701 8.610 1.00 0.00 C ATOM 710 C LYS A 121 63.598 10.037 7.467 1.00 0.00 C ATOM 711 O LYS A 121 63.853 10.964 6.701 1.00 0.00 O ATOM 712 CB LYS A 121 65.924 9.415 8.170 1.00 0.00 C ATOM 713 CG LYS A 121 66.761 8.951 9.348 1.00 0.00 C ATOM 714 CD LYS A 121 68.232 8.854 9.063 1.00 0.00 C ATOM 715 CE LYS A 121 68.579 7.901 7.970 1.00 0.00 C ATOM 716 NZ LYS A 121 70.045 7.827 7.817 1.00 0.00 N ATOM 0 H LYS A 121 64.381 7.672 9.042 1.00 0.00 H new ATOM 0 HA LYS A 121 64.530 10.576 9.259 1.00 0.00 H new ATOM 0 HB2 LYS A 121 65.924 8.651 7.393 1.00 0.00 H new ATOM 0 HB3 LYS A 121 66.364 10.313 7.735 1.00 0.00 H new ATOM 0 HG2 LYS A 121 66.609 9.639 10.180 1.00 0.00 H new ATOM 0 HG3 LYS A 121 66.401 7.975 9.672 1.00 0.00 H new ATOM 0 HD2 LYS A 121 68.606 9.843 8.800 1.00 0.00 H new ATOM 0 HD3 LYS A 121 68.748 8.549 9.973 1.00 0.00 H new ATOM 0 HE2 LYS A 121 68.178 6.913 8.196 1.00 0.00 H new ATOM 0 HE3 LYS A 121 68.123 8.225 7.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 70.281 7.161 7.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 70.418 8.769 7.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 70.471 7.498 8.707 1.00 0.00 H new ATOM 730 N LYS A 122 62.545 9.221 7.355 1.00 0.00 N ATOM 731 CA LYS A 122 61.431 9.408 6.455 1.00 0.00 C ATOM 732 C LYS A 122 61.901 9.526 5.002 1.00 0.00 C ATOM 733 O LYS A 122 61.282 10.179 4.184 1.00 0.00 O ATOM 734 CB LYS A 122 60.653 10.627 6.914 1.00 0.00 C ATOM 735 CG LYS A 122 60.310 10.614 8.388 1.00 0.00 C ATOM 736 CD LYS A 122 59.638 11.896 8.837 1.00 0.00 C ATOM 737 CE LYS A 122 59.340 11.864 10.331 1.00 0.00 C ATOM 738 NZ LYS A 122 60.574 11.749 11.153 1.00 0.00 N ATOM 0 H LYS A 122 62.454 8.377 7.921 1.00 0.00 H new ATOM 0 HA LYS A 122 60.776 8.537 6.482 1.00 0.00 H new ATOM 0 HB2 LYS A 122 61.235 11.522 6.694 1.00 0.00 H new ATOM 0 HB3 LYS A 122 59.731 10.697 6.337 1.00 0.00 H new ATOM 0 HG2 LYS A 122 59.653 9.770 8.598 1.00 0.00 H new ATOM 0 HG3 LYS A 122 61.220 10.462 8.968 1.00 0.00 H new ATOM 0 HD2 LYS A 122 60.281 12.746 8.609 1.00 0.00 H new ATOM 0 HD3 LYS A 122 58.711 12.039 8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 122 58.803 12.770 10.611 1.00 0.00 H new ATOM 0 HE3 LYS A 122 58.682 11.023 10.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 60.329 11.833 12.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 61.021 10.826 10.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 61.236 12.508 10.893 1.00 0.00 H new ATOM 752 N GLN A 123 62.988 8.837 4.718 1.00 0.00 N ATOM 753 CA GLN A 123 63.631 8.812 3.411 1.00 0.00 C ATOM 754 C GLN A 123 62.632 8.273 2.377 1.00 0.00 C ATOM 755 O GLN A 123 61.901 7.311 2.654 1.00 0.00 O ATOM 756 CB GLN A 123 64.823 7.862 3.504 1.00 0.00 C ATOM 757 CG GLN A 123 66.039 8.172 2.645 1.00 0.00 C ATOM 758 CD GLN A 123 66.830 9.386 3.127 1.00 0.00 C ATOM 759 OE1 GLN A 123 66.828 9.641 4.426 1.00 0.00 O flip ATOM 760 NE2 GLN A 123 67.458 10.073 2.336 1.00 0.00 N flip ATOM 0 H GLN A 123 63.466 8.260 5.409 1.00 0.00 H new ATOM 0 HA GLN A 123 63.956 9.809 3.114 1.00 0.00 H new ATOM 0 HB2 GLN A 123 65.146 7.829 4.544 1.00 0.00 H new ATOM 0 HB3 GLN A 123 64.476 6.861 3.246 1.00 0.00 H new ATOM 0 HG2 GLN A 123 66.696 7.302 2.631 1.00 0.00 H new ATOM 0 HG3 GLN A 123 65.715 8.343 1.618 1.00 0.00 H new ATOM 0 HE21 GLN A 123 67.440 9.851 1.341 1.00 0.00 H new ATOM 0 HE22 GLN A 123 68.001 10.869 2.671 1.00 0.00 H new ATOM 769 N ARG A 124 62.622 8.864 1.215 1.00 0.00 N ATOM 770 CA ARG A 124 61.695 8.493 0.167 1.00 0.00 C ATOM 771 C ARG A 124 62.081 7.217 -0.532 1.00 0.00 C ATOM 772 O ARG A 124 63.263 6.852 -0.603 1.00 0.00 O ATOM 773 CB ARG A 124 61.568 9.598 -0.867 1.00 0.00 C ATOM 774 CG ARG A 124 60.814 10.813 -0.397 1.00 0.00 C ATOM 775 CD ARG A 124 60.768 11.877 -1.474 1.00 0.00 C ATOM 776 NE ARG A 124 60.250 11.365 -2.753 1.00 0.00 N ATOM 777 CZ ARG A 124 59.393 12.008 -3.549 1.00 0.00 C ATOM 778 NH1 ARG A 124 58.804 13.125 -3.139 1.00 0.00 N ATOM 779 NH2 ARG A 124 59.112 11.508 -4.749 1.00 0.00 N ATOM 0 H ARG A 124 63.257 9.621 0.961 1.00 0.00 H new ATOM 0 HA ARG A 124 60.738 8.333 0.663 1.00 0.00 H new ATOM 0 HB2 ARG A 124 62.567 9.904 -1.177 1.00 0.00 H new ATOM 0 HB3 ARG A 124 61.070 9.196 -1.749 1.00 0.00 H new ATOM 0 HG2 ARG A 124 59.799 10.530 -0.118 1.00 0.00 H new ATOM 0 HG3 ARG A 124 61.289 11.216 0.497 1.00 0.00 H new ATOM 0 HD2 ARG A 124 60.142 12.703 -1.137 1.00 0.00 H new ATOM 0 HD3 ARG A 124 61.770 12.278 -1.626 1.00 0.00 H new ATOM 0 HE ARG A 124 60.572 10.445 -3.055 1.00 0.00 H new ATOM 0 HH11 ARG A 124 59.005 13.497 -2.211 1.00 0.00 H new ATOM 0 HH12 ARG A 124 58.150 13.611 -3.752 1.00 0.00 H new ATOM 0 HH21 ARG A 124 59.550 10.639 -5.055 1.00 0.00 H new ATOM 0 HH22 ARG A 124 58.458 11.993 -5.363 1.00 0.00 H new ATOM 793 N PHE A 125 61.070 6.530 -1.004 1.00 0.00 N ATOM 794 CA PHE A 125 61.230 5.351 -1.823 1.00 0.00 C ATOM 795 C PHE A 125 60.032 5.248 -2.774 1.00 0.00 C ATOM 796 O PHE A 125 59.345 6.255 -3.015 1.00 0.00 O ATOM 797 CB PHE A 125 61.351 4.092 -0.929 1.00 0.00 C ATOM 798 CG PHE A 125 60.276 3.908 0.102 1.00 0.00 C ATOM 799 CD1 PHE A 125 59.051 4.513 -0.023 1.00 0.00 C ATOM 800 CD2 PHE A 125 60.508 3.156 1.219 1.00 0.00 C ATOM 801 CE1 PHE A 125 58.113 4.359 0.897 1.00 0.00 C ATOM 802 CE2 PHE A 125 59.542 3.017 2.156 1.00 0.00 C ATOM 803 CZ PHE A 125 58.364 3.608 1.979 1.00 0.00 C ATOM 0 H PHE A 125 60.096 6.777 -0.828 1.00 0.00 H new ATOM 0 HA PHE A 125 62.145 5.423 -2.412 1.00 0.00 H new ATOM 0 HB2 PHE A 125 61.362 3.213 -1.574 1.00 0.00 H new ATOM 0 HB3 PHE A 125 62.314 4.125 -0.419 1.00 0.00 H new ATOM 0 HD1 PHE A 125 58.849 5.126 -0.889 1.00 0.00 H new ATOM 0 HD2 PHE A 125 61.464 2.672 1.354 1.00 0.00 H new ATOM 0 HE1 PHE A 125 57.151 4.835 0.777 1.00 0.00 H new ATOM 0 HE2 PHE A 125 59.727 2.429 3.043 1.00 0.00 H new ATOM 0 HZ PHE A 125 57.592 3.480 2.723 1.00 0.00 H new ATOM 813 N HIS A 126 59.775 4.068 -3.271 1.00 0.00 N ATOM 814 CA HIS A 126 58.637 3.808 -4.102 1.00 0.00 C ATOM 815 C HIS A 126 57.818 2.679 -3.434 1.00 0.00 C ATOM 816 O HIS A 126 58.369 1.921 -2.675 1.00 0.00 O ATOM 817 CB HIS A 126 59.123 3.386 -5.491 1.00 0.00 C ATOM 818 CG HIS A 126 58.048 3.384 -6.511 1.00 0.00 C ATOM 819 ND1 HIS A 126 56.933 2.656 -6.565 1.00 0.00 N flip ATOM 820 CD2 HIS A 126 58.028 4.198 -7.604 1.00 0.00 C flip ATOM 821 CE1 HIS A 126 56.208 3.005 -7.694 1.00 0.00 C flip ATOM 822 NE2 HIS A 126 56.916 3.948 -8.279 1.00 0.00 N flip ATOM 0 H HIS A 126 60.361 3.250 -3.106 1.00 0.00 H new ATOM 0 HA HIS A 126 58.012 4.694 -4.214 1.00 0.00 H new ATOM 0 HB2 HIS A 126 59.917 4.060 -5.811 1.00 0.00 H new ATOM 0 HB3 HIS A 126 59.558 2.388 -5.429 1.00 0.00 H new ATOM 0 HD2 HIS A 126 58.785 4.920 -7.872 1.00 0.00 H new ATOM 0 HE1 HIS A 126 55.266 2.592 -8.023 1.00 0.00 H new ATOM 0 HE2 HIS A 126 56.644 4.424 -9.139 1.00 0.00 H new ATOM 830 N ASN A 127 56.511 2.628 -3.682 1.00 0.00 N ATOM 831 CA ASN A 127 55.592 1.590 -3.156 1.00 0.00 C ATOM 832 C ASN A 127 55.123 0.684 -4.284 1.00 0.00 C ATOM 833 O ASN A 127 54.538 1.159 -5.248 1.00 0.00 O ATOM 834 CB ASN A 127 54.365 2.241 -2.507 1.00 0.00 C ATOM 835 CG ASN A 127 54.716 3.158 -1.370 1.00 0.00 C ATOM 836 OD1 ASN A 127 54.013 4.094 -1.075 1.00 0.00 O ATOM 837 ND2 ASN A 127 55.817 2.914 -0.752 1.00 0.00 N ATOM 0 H ASN A 127 56.039 3.318 -4.267 1.00 0.00 H new ATOM 0 HA ASN A 127 56.133 1.005 -2.412 1.00 0.00 H new ATOM 0 HB2 ASN A 127 53.817 2.803 -3.263 1.00 0.00 H new ATOM 0 HB3 ASN A 127 53.697 1.460 -2.143 1.00 0.00 H new ATOM 0 HD21 ASN A 127 56.118 3.520 0.011 1.00 0.00 H new ATOM 0 HD22 ASN A 127 56.389 2.115 -1.025 1.00 0.00 H new ATOM 844 N ILE A 128 55.373 -0.617 -4.163 1.00 0.00 N ATOM 845 CA ILE A 128 55.080 -1.566 -5.206 1.00 0.00 C ATOM 846 C ILE A 128 54.087 -2.617 -4.689 1.00 0.00 C ATOM 847 O ILE A 128 53.819 -2.691 -3.520 1.00 0.00 O ATOM 848 CB ILE A 128 56.423 -2.224 -5.738 1.00 0.00 C ATOM 849 CG1 ILE A 128 57.311 -1.124 -6.281 1.00 0.00 C ATOM 850 CG2 ILE A 128 56.177 -3.265 -6.827 1.00 0.00 C ATOM 851 CD1 ILE A 128 58.144 -0.392 -5.294 1.00 0.00 C ATOM 0 H ILE A 128 55.787 -1.034 -3.329 1.00 0.00 H new ATOM 0 HA ILE A 128 54.613 -1.055 -6.048 1.00 0.00 H new ATOM 0 HB ILE A 128 56.899 -2.743 -4.905 1.00 0.00 H new ATOM 0 HG12 ILE A 128 57.973 -1.559 -7.029 1.00 0.00 H new ATOM 0 HG13 ILE A 128 56.680 -0.400 -6.797 1.00 0.00 H new ATOM 0 HG21 ILE A 128 57.130 -3.682 -7.154 1.00 0.00 H new ATOM 0 HG22 ILE A 128 55.548 -4.063 -6.432 1.00 0.00 H new ATOM 0 HG23 ILE A 128 55.678 -2.795 -7.674 1.00 0.00 H new ATOM 0 HD11 ILE A 128 58.733 0.368 -5.807 1.00 0.00 H new ATOM 0 HD12 ILE A 128 57.499 0.086 -4.556 1.00 0.00 H new ATOM 0 HD13 ILE A 128 58.813 -1.091 -4.792 1.00 0.00 H new ATOM 863 N ARG A 129 53.517 -3.363 -5.550 1.00 0.00 N ATOM 864 CA ARG A 129 52.565 -4.364 -5.181 1.00 0.00 C ATOM 865 C ARG A 129 53.237 -5.577 -4.510 1.00 0.00 C ATOM 866 O ARG A 129 53.858 -6.416 -5.173 1.00 0.00 O ATOM 867 CB ARG A 129 51.795 -4.765 -6.424 1.00 0.00 C ATOM 868 CG ARG A 129 50.661 -5.719 -6.193 1.00 0.00 C ATOM 869 CD ARG A 129 49.710 -5.153 -5.174 1.00 0.00 C ATOM 870 NE ARG A 129 48.490 -5.953 -5.060 1.00 0.00 N ATOM 871 CZ ARG A 129 47.721 -6.041 -3.966 1.00 0.00 C ATOM 872 NH1 ARG A 129 47.951 -5.249 -2.920 1.00 0.00 N ATOM 873 NH2 ARG A 129 46.707 -6.898 -3.940 1.00 0.00 N ATOM 0 H ARG A 129 53.693 -3.305 -6.553 1.00 0.00 H new ATOM 0 HA ARG A 129 51.878 -3.957 -4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 129 51.401 -3.864 -6.894 1.00 0.00 H new ATOM 0 HB3 ARG A 129 52.490 -5.216 -7.132 1.00 0.00 H new ATOM 0 HG2 ARG A 129 50.135 -5.905 -7.129 1.00 0.00 H new ATOM 0 HG3 ARG A 129 51.047 -6.678 -5.849 1.00 0.00 H new ATOM 0 HD2 ARG A 129 50.204 -5.105 -4.204 1.00 0.00 H new ATOM 0 HD3 ARG A 129 49.449 -4.131 -5.450 1.00 0.00 H new ATOM 0 HE ARG A 129 48.202 -6.487 -5.880 1.00 0.00 H new ATOM 0 HH11 ARG A 129 48.714 -4.573 -2.950 1.00 0.00 H new ATOM 0 HH12 ARG A 129 47.364 -5.318 -2.089 1.00 0.00 H new ATOM 0 HH21 ARG A 129 46.516 -7.486 -4.751 1.00 0.00 H new ATOM 0 HH22 ARG A 129 46.119 -6.968 -3.109 1.00 0.00 H new ATOM 887 N GLY A 130 53.169 -5.609 -3.200 1.00 0.00 N ATOM 888 CA GLY A 130 53.662 -6.743 -2.447 1.00 0.00 C ATOM 889 C GLY A 130 55.069 -6.550 -1.932 1.00 0.00 C ATOM 890 O GLY A 130 55.535 -7.325 -1.087 1.00 0.00 O ATOM 0 H GLY A 130 52.776 -4.860 -2.630 1.00 0.00 H new ATOM 0 HA2 GLY A 130 52.996 -6.928 -1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 130 53.632 -7.631 -3.079 1.00 0.00 H new ATOM 894 N ARG A 131 55.764 -5.576 -2.469 1.00 0.00 N ATOM 895 CA ARG A 131 57.110 -5.268 -2.047 1.00 0.00 C ATOM 896 C ARG A 131 57.352 -3.827 -2.330 1.00 0.00 C ATOM 897 O ARG A 131 56.481 -3.171 -2.871 1.00 0.00 O ATOM 898 CB ARG A 131 58.106 -6.080 -2.868 1.00 0.00 C ATOM 899 CG ARG A 131 58.175 -5.658 -4.335 1.00 0.00 C ATOM 900 CD ARG A 131 59.571 -5.208 -4.688 1.00 0.00 C ATOM 901 NE ARG A 131 59.732 -4.851 -6.101 1.00 0.00 N ATOM 902 CZ ARG A 131 60.761 -4.132 -6.589 1.00 0.00 C ATOM 903 NH1 ARG A 131 61.688 -3.634 -5.759 1.00 0.00 N ATOM 904 NH2 ARG A 131 60.853 -3.893 -7.891 1.00 0.00 N ATOM 0 H ARG A 131 55.412 -4.973 -3.213 1.00 0.00 H new ATOM 0 HA ARG A 131 57.231 -5.499 -0.989 1.00 0.00 H new ATOM 0 HB2 ARG A 131 59.096 -5.982 -2.423 1.00 0.00 H new ATOM 0 HB3 ARG A 131 57.835 -7.134 -2.814 1.00 0.00 H new ATOM 0 HG2 ARG A 131 57.882 -6.491 -4.974 1.00 0.00 H new ATOM 0 HG3 ARG A 131 57.468 -4.850 -4.521 1.00 0.00 H new ATOM 0 HD2 ARG A 131 59.833 -4.348 -4.072 1.00 0.00 H new ATOM 0 HD3 ARG A 131 60.274 -6.003 -4.440 1.00 0.00 H new ATOM 0 HE ARG A 131 59.018 -5.168 -6.757 1.00 0.00 H new ATOM 0 HH11 ARG A 131 61.615 -3.799 -4.755 1.00 0.00 H new ATOM 0 HH12 ARG A 131 62.466 -3.090 -6.131 1.00 0.00 H new ATOM 0 HH21 ARG A 131 60.142 -4.254 -8.527 1.00 0.00 H new ATOM 0 HH22 ARG A 131 61.634 -3.348 -8.255 1.00 0.00 H new ATOM 918 N TRP A 132 58.502 -3.310 -1.986 1.00 0.00 N ATOM 919 CA TRP A 132 58.871 -2.099 -2.587 1.00 0.00 C ATOM 920 C TRP A 132 60.342 -1.999 -2.964 1.00 0.00 C ATOM 921 O TRP A 132 61.087 -2.992 -2.904 1.00 0.00 O ATOM 922 CB TRP A 132 58.340 -0.876 -1.889 1.00 0.00 C ATOM 923 CG TRP A 132 58.706 -0.532 -0.526 1.00 0.00 C ATOM 924 CD1 TRP A 132 57.884 -0.200 0.424 1.00 0.00 C ATOM 925 CD2 TRP A 132 60.028 -0.391 0.006 1.00 0.00 C ATOM 926 NE1 TRP A 132 58.586 0.147 1.539 1.00 0.00 N ATOM 927 CE2 TRP A 132 59.931 0.020 1.280 1.00 0.00 C ATOM 928 CE3 TRP A 132 61.243 -0.606 -0.493 1.00 0.00 C ATOM 929 CZ2 TRP A 132 61.084 0.241 2.080 1.00 0.00 C ATOM 930 CZ3 TRP A 132 62.346 -0.417 0.234 1.00 0.00 C ATOM 931 CH2 TRP A 132 62.283 0.004 1.498 1.00 0.00 C ATOM 0 H TRP A 132 59.163 -3.705 -1.317 1.00 0.00 H new ATOM 0 HA TRP A 132 58.351 -2.120 -3.545 1.00 0.00 H new ATOM 0 HB2 TRP A 132 58.611 -0.021 -2.509 1.00 0.00 H new ATOM 0 HB3 TRP A 132 57.253 -0.953 -1.909 1.00 0.00 H new ATOM 0 HD1 TRP A 132 56.807 -0.199 0.342 1.00 0.00 H new ATOM 0 HE1 TRP A 132 58.180 0.452 2.423 1.00 0.00 H new ATOM 0 HE3 TRP A 132 61.339 -0.943 -1.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 61.008 0.581 3.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 63.311 -0.609 -0.211 1.00 0.00 H new ATOM 0 HH2 TRP A 132 63.193 0.157 2.060 1.00 0.00 H new ATOM 942 N THR A 133 60.752 -0.798 -3.360 1.00 0.00 N ATOM 943 CA THR A 133 62.079 -0.500 -3.718 1.00 0.00 C ATOM 944 C THR A 133 62.424 0.882 -3.024 1.00 0.00 C ATOM 945 O THR A 133 61.685 1.875 -3.134 1.00 0.00 O ATOM 946 CB THR A 133 62.114 -0.494 -5.260 1.00 0.00 C ATOM 947 OG1 THR A 133 63.369 -0.544 -5.805 1.00 0.00 O ATOM 948 CG2 THR A 133 61.301 0.607 -5.828 1.00 0.00 C ATOM 0 H THR A 133 60.125 0.003 -3.433 1.00 0.00 H new ATOM 0 HA THR A 133 62.834 -1.213 -3.388 1.00 0.00 H new ATOM 0 HB THR A 133 61.651 -1.436 -5.553 1.00 0.00 H new ATOM 0 HG1 THR A 133 63.752 -1.434 -5.662 1.00 0.00 H new ATOM 0 HG21 THR A 133 61.354 0.574 -6.916 1.00 0.00 H new ATOM 0 HG22 THR A 133 60.264 0.494 -5.511 1.00 0.00 H new ATOM 0 HG23 THR A 133 61.686 1.563 -5.475 1.00 0.00 H new ATOM 956 N GLY A 134 63.466 0.838 -2.227 1.00 0.00 N ATOM 957 CA GLY A 134 63.909 1.896 -1.344 1.00 0.00 C ATOM 958 C GLY A 134 65.338 2.218 -1.578 1.00 0.00 C ATOM 959 O GLY A 134 65.756 2.189 -2.656 1.00 0.00 O ATOM 0 H GLY A 134 64.064 0.014 -2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 134 63.301 2.786 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 134 63.766 1.593 -0.307 1.00 0.00 H new ATOM 963 N ARG A 135 66.098 2.490 -0.572 1.00 0.00 N ATOM 964 CA ARG A 135 67.533 2.780 -0.742 1.00 0.00 C ATOM 965 C ARG A 135 68.250 2.431 0.498 1.00 0.00 C ATOM 966 O ARG A 135 68.081 3.102 1.538 1.00 0.00 O ATOM 967 CB ARG A 135 67.786 4.263 -1.140 1.00 0.00 C ATOM 968 CG ARG A 135 67.339 4.554 -2.562 1.00 0.00 C ATOM 969 CD ARG A 135 67.428 5.974 -2.985 1.00 0.00 C ATOM 970 NE ARG A 135 68.822 6.446 -3.035 1.00 0.00 N ATOM 971 CZ ARG A 135 69.215 7.708 -3.232 1.00 0.00 C ATOM 972 NH1 ARG A 135 68.331 8.675 -3.395 1.00 0.00 N ATOM 973 NH2 ARG A 135 70.499 7.980 -3.256 1.00 0.00 N ATOM 0 H ARG A 135 65.773 2.525 0.394 1.00 0.00 H new ATOM 0 HA ARG A 135 67.913 2.172 -1.563 1.00 0.00 H new ATOM 0 HB2 ARG A 135 67.254 4.919 -0.451 1.00 0.00 H new ATOM 0 HB3 ARG A 135 68.848 4.489 -1.040 1.00 0.00 H new ATOM 0 HG2 ARG A 135 67.941 3.952 -3.243 1.00 0.00 H new ATOM 0 HG3 ARG A 135 66.306 4.224 -2.674 1.00 0.00 H new ATOM 0 HD2 ARG A 135 66.970 6.089 -3.967 1.00 0.00 H new ATOM 0 HD3 ARG A 135 66.859 6.595 -2.293 1.00 0.00 H new ATOM 0 HE ARG A 135 69.554 5.747 -2.908 1.00 0.00 H new ATOM 0 HH11 ARG A 135 67.333 8.463 -3.371 1.00 0.00 H new ATOM 0 HH12 ARG A 135 68.646 9.634 -3.544 1.00 0.00 H new ATOM 0 HH21 ARG A 135 71.181 7.233 -3.125 1.00 0.00 H new ATOM 0 HH22 ARG A 135 70.815 8.938 -3.405 1.00 0.00 H new ATOM 987 N CYS A 136 68.993 1.327 0.446 1.00 0.00 N ATOM 988 CA CYS A 136 69.779 0.932 1.573 1.00 0.00 C ATOM 989 C CYS A 136 70.878 1.967 1.802 1.00 0.00 C ATOM 990 O CYS A 136 71.107 2.785 0.948 1.00 0.00 O ATOM 991 CB CYS A 136 70.420 -0.428 1.352 1.00 0.00 C ATOM 992 SG CYS A 136 71.905 -0.563 0.327 1.00 0.00 S ATOM 0 H CYS A 136 69.056 0.708 -0.362 1.00 0.00 H new ATOM 0 HA CYS A 136 69.123 0.866 2.441 1.00 0.00 H new ATOM 0 HB2 CYS A 136 70.663 -0.837 2.333 1.00 0.00 H new ATOM 0 HB3 CYS A 136 69.662 -1.078 0.915 1.00 0.00 H new ATOM 0 HG CYS A 136 71.739 0.115 -0.769 1.00 0.00 H new ATOM 997 N MET A 137 71.559 1.886 2.926 1.00 0.00 N ATOM 998 CA MET A 137 72.660 2.824 3.310 1.00 0.00 C ATOM 999 C MET A 137 73.561 3.183 2.172 1.00 0.00 C ATOM 1000 O MET A 137 73.741 4.366 1.859 1.00 0.00 O ATOM 1001 CB MET A 137 73.546 2.229 4.391 1.00 0.00 C ATOM 1002 CG MET A 137 72.829 1.768 5.597 1.00 0.00 C ATOM 1003 SD MET A 137 73.894 0.939 6.786 1.00 0.00 S ATOM 1004 CE MET A 137 74.326 -0.511 5.822 1.00 0.00 C ATOM 0 H MET A 137 71.381 1.166 3.626 1.00 0.00 H new ATOM 0 HA MET A 137 72.143 3.717 3.661 1.00 0.00 H new ATOM 0 HB2 MET A 137 74.095 1.388 3.968 1.00 0.00 H new ATOM 0 HB3 MET A 137 74.284 2.975 4.687 1.00 0.00 H new ATOM 0 HG2 MET A 137 72.356 2.623 6.079 1.00 0.00 H new ATOM 0 HG3 MET A 137 72.031 1.088 5.299 1.00 0.00 H new ATOM 0 HE1 MET A 137 74.144 -1.408 6.413 1.00 0.00 H new ATOM 0 HE2 MET A 137 73.717 -0.542 4.918 1.00 0.00 H new ATOM 0 HE3 MET A 137 75.380 -0.465 5.548 1.00 0.00 H new ATOM 1014 N SER A 138 74.072 2.184 1.539 1.00 0.00 N ATOM 1015 CA SER A 138 75.067 2.361 0.516 1.00 0.00 C ATOM 1016 C SER A 138 74.500 3.177 -0.651 1.00 0.00 C ATOM 1017 O SER A 138 75.184 4.040 -1.237 1.00 0.00 O ATOM 1018 CB SER A 138 75.549 0.990 0.035 1.00 0.00 C ATOM 1019 OG SER A 138 76.732 1.083 -0.750 1.00 0.00 O ATOM 0 H SER A 138 73.816 1.212 1.711 1.00 0.00 H new ATOM 0 HA SER A 138 75.913 2.912 0.928 1.00 0.00 H new ATOM 0 HB2 SER A 138 75.736 0.349 0.897 1.00 0.00 H new ATOM 0 HB3 SER A 138 74.762 0.515 -0.551 1.00 0.00 H new ATOM 0 HG SER A 138 77.007 0.187 -1.035 1.00 0.00 H new ATOM 1025 N CYS A 139 73.244 2.956 -0.920 1.00 0.00 N ATOM 1026 CA CYS A 139 72.586 3.502 -2.009 1.00 0.00 C ATOM 1027 C CYS A 139 71.840 4.790 -1.683 1.00 0.00 C ATOM 1028 O CYS A 139 71.553 5.591 -2.560 1.00 0.00 O ATOM 1029 CB CYS A 139 71.689 2.463 -2.483 1.00 0.00 C ATOM 1030 SG CYS A 139 72.504 0.937 -3.033 1.00 0.00 S ATOM 0 H CYS A 139 72.650 2.360 -0.343 1.00 0.00 H new ATOM 0 HA CYS A 139 73.303 3.802 -2.773 1.00 0.00 H new ATOM 0 HB2 CYS A 139 70.990 2.216 -1.684 1.00 0.00 H new ATOM 0 HB3 CYS A 139 71.101 2.861 -3.310 1.00 0.00 H new ATOM 0 HG CYS A 139 71.677 -0.060 -2.924 1.00 0.00 H new