USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 394 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 212 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 213 ASN :FLIP amide:sc= -0.0335 F(o=-2.1,f=-0.033) USER MOD Set 2.1: A 195 ASN :FLIP amide:sc= -3.76! C(o=-6.6!,f=-4.4!) USER MOD Set 2.2: A 202 THR OG1 : rot 180:sc= -0.633 USER MOD Single : A 188 SER OG : rot 180:sc= 0 USER MOD Single : A 191 SER OG : rot 81:sc= 0.3 USER MOD Single : A 194 ASN : amide:sc= -2.25! C(o=-2.2!,f=-7.8!) USER MOD Single : A 198 ASN : amide:sc= -0.233 X(o=-0.23,f=0) USER MOD Single : A 203 ASN : amide:sc= -1.01 K(o=-1,f=-2.6!) USER MOD Single : A 204 SER OG : rot 180:sc= 0 USER MOD Single : A 216 SER OG : rot 180:sc= 0 USER MOD Single : A 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 219 THR OG1 : rot -31:sc= 0.986 USER MOD Single : A 220 SER OG : rot 180:sc= -0.65 USER MOD Single : A 224 LYS NZ :NH3+ 162:sc= -0.0142 (180deg=-0.264) USER MOD Single : A 225 HIS : no HD1:sc= -5.72! C(o=-5.7!,f=-15!) USER MOD Single : A 229 LYS NZ :NH3+ 170:sc= -0.317 (180deg=-0.471) USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 LYS NZ :NH3+ -173:sc= -3.42 (180deg=-3.98!) USER MOD Single : A 233 GLN : amide:sc= -2.32! C(o=-2.3!,f=-6.2!) USER MOD Single : A 235 THR OG1 : rot 26:sc= -0.893 USER MOD Single : A 241 LYS NZ :NH3+ -102:sc= -0.0633 (180deg=-0.707) USER MOD Single : A 243 HIS : no HD1:sc= -0.0438 X(o=-0.044,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 187 16.736 -12.828 -4.352 1.00 0.00 N ATOM 2 CA GLY A 187 16.031 -11.528 -4.545 1.00 0.00 C ATOM 3 C GLY A 187 16.849 -10.637 -5.482 1.00 0.00 C ATOM 4 O GLY A 187 17.240 -9.542 -5.129 1.00 0.00 O ATOM 0 HA2 GLY A 187 15.039 -11.699 -4.963 1.00 0.00 H new ATOM 0 HA3 GLY A 187 15.891 -11.032 -3.584 1.00 0.00 H new ATOM 7 N SER A 188 17.112 -11.096 -6.674 1.00 0.00 N ATOM 8 CA SER A 188 17.906 -10.275 -7.629 1.00 0.00 C ATOM 9 C SER A 188 17.136 -8.997 -7.971 1.00 0.00 C ATOM 10 O SER A 188 15.923 -8.956 -7.912 1.00 0.00 O ATOM 11 CB SER A 188 18.163 -11.080 -8.904 1.00 0.00 C ATOM 12 OG SER A 188 18.907 -12.248 -8.579 1.00 0.00 O ATOM 0 H SER A 188 16.811 -12.004 -7.028 1.00 0.00 H new ATOM 0 HA SER A 188 18.859 -10.008 -7.173 1.00 0.00 H new ATOM 0 HB2 SER A 188 17.217 -11.355 -9.371 1.00 0.00 H new ATOM 0 HB3 SER A 188 18.711 -10.475 -9.626 1.00 0.00 H new ATOM 0 HG SER A 188 19.072 -12.768 -9.393 1.00 0.00 H new ATOM 18 N CYS A 189 17.836 -7.955 -8.325 1.00 0.00 N ATOM 19 CA CYS A 189 17.158 -6.672 -8.669 1.00 0.00 C ATOM 20 C CYS A 189 16.240 -6.865 -9.876 1.00 0.00 C ATOM 21 O CYS A 189 15.397 -6.038 -10.161 1.00 0.00 O ATOM 22 CB CYS A 189 18.213 -5.612 -8.993 1.00 0.00 C ATOM 23 SG CYS A 189 17.406 -4.161 -9.717 1.00 0.00 S ATOM 0 H CYS A 189 18.854 -7.936 -8.391 1.00 0.00 H new ATOM 0 HA CYS A 189 16.558 -6.348 -7.819 1.00 0.00 H new ATOM 0 HB2 CYS A 189 18.750 -5.329 -8.088 1.00 0.00 H new ATOM 0 HB3 CYS A 189 18.949 -6.016 -9.687 1.00 0.00 H new ATOM 28 N ALA A 190 16.393 -7.942 -10.594 1.00 0.00 N ATOM 29 CA ALA A 190 15.522 -8.169 -11.781 1.00 0.00 C ATOM 30 C ALA A 190 14.055 -8.167 -11.345 1.00 0.00 C ATOM 31 O ALA A 190 13.174 -7.820 -12.105 1.00 0.00 O ATOM 32 CB ALA A 190 15.860 -9.519 -12.415 1.00 0.00 C ATOM 0 H ALA A 190 17.081 -8.673 -10.412 1.00 0.00 H new ATOM 0 HA ALA A 190 15.689 -7.374 -12.508 1.00 0.00 H new ATOM 0 HB1 ALA A 190 15.222 -9.683 -13.283 1.00 0.00 H new ATOM 0 HB2 ALA A 190 16.905 -9.523 -12.726 1.00 0.00 H new ATOM 0 HB3 ALA A 190 15.695 -10.314 -11.688 1.00 0.00 H new ATOM 38 N SER A 191 13.784 -8.557 -10.129 1.00 0.00 N ATOM 39 CA SER A 191 12.371 -8.581 -9.653 1.00 0.00 C ATOM 40 C SER A 191 11.931 -7.160 -9.282 1.00 0.00 C ATOM 41 O SER A 191 10.778 -6.915 -8.987 1.00 0.00 O ATOM 42 CB SER A 191 12.266 -9.485 -8.425 1.00 0.00 C ATOM 43 OG SER A 191 12.839 -8.822 -7.304 1.00 0.00 O ATOM 0 H SER A 191 14.478 -8.859 -9.446 1.00 0.00 H new ATOM 0 HA SER A 191 11.726 -8.964 -10.444 1.00 0.00 H new ATOM 0 HB2 SER A 191 11.222 -9.727 -8.225 1.00 0.00 H new ATOM 0 HB3 SER A 191 12.782 -10.428 -8.608 1.00 0.00 H new ATOM 0 HG SER A 191 12.193 -8.184 -6.936 1.00 0.00 H new ATOM 49 N CYS A 192 12.842 -6.225 -9.301 1.00 0.00 N ATOM 50 CA CYS A 192 12.482 -4.820 -8.957 1.00 0.00 C ATOM 51 C CYS A 192 13.044 -3.886 -10.032 1.00 0.00 C ATOM 52 O CYS A 192 14.051 -3.231 -9.839 1.00 0.00 O ATOM 53 CB CYS A 192 13.073 -4.458 -7.590 1.00 0.00 C ATOM 54 SG CYS A 192 14.044 -5.852 -6.965 1.00 0.00 S ATOM 0 H CYS A 192 13.822 -6.374 -9.541 1.00 0.00 H new ATOM 0 HA CYS A 192 11.398 -4.715 -8.912 1.00 0.00 H new ATOM 0 HB2 CYS A 192 13.702 -3.572 -7.677 1.00 0.00 H new ATOM 0 HB3 CYS A 192 12.274 -4.214 -6.890 1.00 0.00 H new ATOM 59 N PRO A 193 12.395 -3.837 -11.163 1.00 0.00 N ATOM 60 CA PRO A 193 12.824 -2.986 -12.309 1.00 0.00 C ATOM 61 C PRO A 193 12.928 -1.505 -11.931 1.00 0.00 C ATOM 62 O PRO A 193 13.625 -0.743 -12.572 1.00 0.00 O ATOM 63 CB PRO A 193 11.726 -3.185 -13.360 1.00 0.00 C ATOM 64 CG PRO A 193 11.020 -4.443 -12.980 1.00 0.00 C ATOM 65 CD PRO A 193 11.178 -4.598 -11.469 1.00 0.00 C ATOM 0 HA PRO A 193 13.817 -3.268 -12.659 1.00 0.00 H new ATOM 0 HB2 PRO A 193 11.038 -2.339 -13.372 1.00 0.00 H new ATOM 0 HB3 PRO A 193 12.152 -3.263 -14.360 1.00 0.00 H new ATOM 0 HG2 PRO A 193 9.967 -4.394 -13.256 1.00 0.00 H new ATOM 0 HG3 PRO A 193 11.446 -5.299 -13.503 1.00 0.00 H new ATOM 0 HD2 PRO A 193 10.314 -4.203 -10.934 1.00 0.00 H new ATOM 0 HD3 PRO A 193 11.279 -5.645 -11.183 1.00 0.00 H new ATOM 73 N ASN A 194 12.236 -1.086 -10.904 1.00 0.00 N ATOM 74 CA ASN A 194 12.300 0.349 -10.509 1.00 0.00 C ATOM 75 C ASN A 194 12.401 0.481 -8.987 1.00 0.00 C ATOM 76 O ASN A 194 12.200 1.548 -8.441 1.00 0.00 O ATOM 77 CB ASN A 194 11.039 1.060 -10.999 1.00 0.00 C ATOM 78 CG ASN A 194 9.817 0.510 -10.258 1.00 0.00 C ATOM 79 OD1 ASN A 194 9.895 0.190 -9.088 1.00 0.00 O ATOM 80 ND2 ASN A 194 8.687 0.381 -10.895 1.00 0.00 N ATOM 0 H ASN A 194 11.634 -1.672 -10.326 1.00 0.00 H new ATOM 0 HA ASN A 194 13.183 0.803 -10.959 1.00 0.00 H new ATOM 0 HB2 ASN A 194 11.126 2.133 -10.831 1.00 0.00 H new ATOM 0 HB3 ASN A 194 10.921 0.914 -12.073 1.00 0.00 H new ATOM 0 HD21 ASN A 194 7.868 0.012 -10.412 1.00 0.00 H new ATOM 0 HD22 ASN A 194 8.621 0.650 -11.877 1.00 0.00 H new ATOM 87 N ASN A 195 12.709 -0.581 -8.293 1.00 0.00 N ATOM 88 CA ASN A 195 12.817 -0.481 -6.810 1.00 0.00 C ATOM 89 C ASN A 195 14.074 -1.206 -6.330 1.00 0.00 C ATOM 90 O ASN A 195 14.007 -2.125 -5.538 1.00 0.00 O ATOM 91 CB ASN A 195 11.587 -1.112 -6.157 1.00 0.00 C ATOM 92 CG ASN A 195 11.435 -0.566 -4.734 1.00 0.00 C ATOM 93 OD1 ASN A 195 10.634 -1.165 -3.897 1.00 0.00 O flip ATOM 94 ND2 ASN A 195 12.050 0.420 -4.383 1.00 0.00 N flip ATOM 0 H ASN A 195 12.889 -1.506 -8.685 1.00 0.00 H new ATOM 0 HA ASN A 195 12.877 0.571 -6.530 1.00 0.00 H new ATOM 0 HB2 ASN A 195 10.695 -0.888 -6.742 1.00 0.00 H new ATOM 0 HB3 ASN A 195 11.689 -2.197 -6.134 1.00 0.00 H new ATOM 0 HD21 ASN A 195 12.677 0.890 -5.036 1.00 0.00 H new ATOM 0 HD22 ASN A 195 11.940 0.779 -3.435 1.00 0.00 H new ATOM 101 N CYS A 196 15.222 -0.795 -6.794 1.00 0.00 N ATOM 102 CA CYS A 196 16.483 -1.456 -6.351 1.00 0.00 C ATOM 103 C CYS A 196 17.384 -0.422 -5.676 1.00 0.00 C ATOM 104 O CYS A 196 17.406 0.734 -6.048 1.00 0.00 O ATOM 105 CB CYS A 196 17.210 -2.049 -7.560 1.00 0.00 C ATOM 106 SG CYS A 196 16.251 -3.433 -8.228 1.00 0.00 S ATOM 0 H CYS A 196 15.342 -0.031 -7.460 1.00 0.00 H new ATOM 0 HA CYS A 196 16.245 -2.254 -5.648 1.00 0.00 H new ATOM 0 HB2 CYS A 196 17.346 -1.285 -8.325 1.00 0.00 H new ATOM 0 HB3 CYS A 196 18.204 -2.389 -7.269 1.00 0.00 H new ATOM 111 N GLU A 197 18.129 -0.831 -4.688 1.00 0.00 N ATOM 112 CA GLU A 197 19.035 0.124 -3.989 1.00 0.00 C ATOM 113 C GLU A 197 20.483 -0.320 -4.196 1.00 0.00 C ATOM 114 O GLU A 197 21.114 0.013 -5.179 1.00 0.00 O ATOM 115 CB GLU A 197 18.708 0.134 -2.494 1.00 0.00 C ATOM 116 CG GLU A 197 17.282 0.650 -2.282 1.00 0.00 C ATOM 117 CD GLU A 197 17.178 2.090 -2.787 1.00 0.00 C ATOM 118 OE1 GLU A 197 18.209 2.723 -2.937 1.00 0.00 O ATOM 119 OE2 GLU A 197 16.064 2.537 -3.016 1.00 0.00 O ATOM 0 H GLU A 197 18.150 -1.787 -4.333 1.00 0.00 H new ATOM 0 HA GLU A 197 18.899 1.127 -4.393 1.00 0.00 H new ATOM 0 HB2 GLU A 197 18.806 -0.871 -2.084 1.00 0.00 H new ATOM 0 HB3 GLU A 197 19.417 0.767 -1.961 1.00 0.00 H new ATOM 0 HG2 GLU A 197 16.572 0.016 -2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 197 17.021 0.605 -1.225 1.00 0.00 H new ATOM 127 N ASN A 198 21.009 -1.076 -3.275 1.00 0.00 N ATOM 128 CA ASN A 198 22.410 -1.560 -3.407 1.00 0.00 C ATOM 129 C ASN A 198 22.408 -2.881 -4.178 1.00 0.00 C ATOM 130 O ASN A 198 23.346 -3.650 -4.123 1.00 0.00 O ATOM 131 CB ASN A 198 23.009 -1.777 -2.016 1.00 0.00 C ATOM 132 CG ASN A 198 22.908 -0.480 -1.211 1.00 0.00 C ATOM 133 OD1 ASN A 198 22.516 -0.495 -0.061 1.00 0.00 O ATOM 134 ND2 ASN A 198 23.245 0.648 -1.772 1.00 0.00 N ATOM 0 H ASN A 198 20.525 -1.381 -2.431 1.00 0.00 H new ATOM 0 HA ASN A 198 23.008 -0.822 -3.942 1.00 0.00 H new ATOM 0 HB2 ASN A 198 22.480 -2.579 -1.501 1.00 0.00 H new ATOM 0 HB3 ASN A 198 24.051 -2.085 -2.101 1.00 0.00 H new ATOM 0 HD21 ASN A 198 23.180 1.519 -1.245 1.00 0.00 H new ATOM 0 HD22 ASN A 198 23.574 0.659 -2.737 1.00 0.00 H new ATOM 141 N GLY A 199 21.343 -3.157 -4.882 1.00 0.00 N ATOM 142 CA GLY A 199 21.255 -4.434 -5.644 1.00 0.00 C ATOM 143 C GLY A 199 20.278 -5.360 -4.925 1.00 0.00 C ATOM 144 O GLY A 199 20.074 -6.495 -5.308 1.00 0.00 O ATOM 0 H GLY A 199 20.527 -2.550 -4.962 1.00 0.00 H new ATOM 0 HA2 GLY A 199 20.917 -4.245 -6.663 1.00 0.00 H new ATOM 0 HA3 GLY A 199 22.237 -4.901 -5.715 1.00 0.00 H new ATOM 148 N LEU A 200 19.669 -4.870 -3.880 1.00 0.00 N ATOM 149 CA LEU A 200 18.695 -5.692 -3.114 1.00 0.00 C ATOM 150 C LEU A 200 17.273 -5.254 -3.472 1.00 0.00 C ATOM 151 O LEU A 200 17.032 -4.108 -3.800 1.00 0.00 O ATOM 152 CB LEU A 200 18.934 -5.480 -1.618 1.00 0.00 C ATOM 153 CG LEU A 200 20.397 -5.781 -1.287 1.00 0.00 C ATOM 154 CD1 LEU A 200 20.637 -5.592 0.214 1.00 0.00 C ATOM 155 CD2 LEU A 200 20.719 -7.226 -1.674 1.00 0.00 C ATOM 0 H LEU A 200 19.808 -3.925 -3.522 1.00 0.00 H new ATOM 0 HA LEU A 200 18.822 -6.746 -3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 200 18.691 -4.454 -1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 200 18.278 -6.130 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 200 21.040 -5.100 -1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 200 21.680 -5.807 0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 200 20.408 -4.563 0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 200 19.993 -6.271 0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 200 21.761 -7.442 -1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 200 20.073 -7.904 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 200 20.552 -7.362 -2.743 1.00 0.00 H new ATOM 167 N CYS A 201 16.328 -6.153 -3.416 1.00 0.00 N ATOM 168 CA CYS A 201 14.927 -5.779 -3.759 1.00 0.00 C ATOM 169 C CYS A 201 14.254 -5.153 -2.534 1.00 0.00 C ATOM 170 O CYS A 201 14.209 -5.739 -1.472 1.00 0.00 O ATOM 171 CB CYS A 201 14.155 -7.030 -4.185 1.00 0.00 C ATOM 172 SG CYS A 201 12.935 -6.586 -5.446 1.00 0.00 S ATOM 0 H CYS A 201 16.465 -7.128 -3.148 1.00 0.00 H new ATOM 0 HA CYS A 201 14.931 -5.060 -4.578 1.00 0.00 H new ATOM 0 HB2 CYS A 201 14.843 -7.779 -4.577 1.00 0.00 H new ATOM 0 HB3 CYS A 201 13.658 -7.474 -3.323 1.00 0.00 H new ATOM 177 N THR A 202 13.740 -3.959 -2.674 1.00 0.00 N ATOM 178 CA THR A 202 13.079 -3.290 -1.516 1.00 0.00 C ATOM 179 C THR A 202 11.569 -3.192 -1.758 1.00 0.00 C ATOM 180 O THR A 202 10.864 -2.503 -1.045 1.00 0.00 O ATOM 181 CB THR A 202 13.655 -1.881 -1.352 1.00 0.00 C ATOM 182 OG1 THR A 202 13.293 -1.091 -2.476 1.00 0.00 O ATOM 183 CG2 THR A 202 15.179 -1.959 -1.254 1.00 0.00 C ATOM 0 H THR A 202 13.750 -3.419 -3.539 1.00 0.00 H new ATOM 0 HA THR A 202 13.260 -3.874 -0.614 1.00 0.00 H new ATOM 0 HB THR A 202 13.257 -1.429 -0.444 1.00 0.00 H new ATOM 0 HG1 THR A 202 13.659 -0.188 -2.373 1.00 0.00 H new ATOM 0 HG21 THR A 202 15.588 -0.955 -1.137 1.00 0.00 H new ATOM 0 HG22 THR A 202 15.458 -2.567 -0.393 1.00 0.00 H new ATOM 0 HG23 THR A 202 15.579 -2.411 -2.162 1.00 0.00 H new ATOM 191 N ASN A 203 11.063 -3.863 -2.756 1.00 0.00 N ATOM 192 CA ASN A 203 9.597 -3.789 -3.033 1.00 0.00 C ATOM 193 C ASN A 203 8.868 -4.890 -2.261 1.00 0.00 C ATOM 194 O ASN A 203 8.888 -6.045 -2.640 1.00 0.00 O ATOM 195 CB ASN A 203 9.349 -3.980 -4.530 1.00 0.00 C ATOM 196 CG ASN A 203 7.907 -3.591 -4.863 1.00 0.00 C ATOM 197 OD1 ASN A 203 7.273 -2.868 -4.121 1.00 0.00 O ATOM 198 ND2 ASN A 203 7.356 -4.048 -5.955 1.00 0.00 N ATOM 0 H ASN A 203 11.597 -4.457 -3.390 1.00 0.00 H new ATOM 0 HA ASN A 203 9.224 -2.814 -2.718 1.00 0.00 H new ATOM 0 HB2 ASN A 203 10.044 -3.368 -5.105 1.00 0.00 H new ATOM 0 HB3 ASN A 203 9.531 -5.018 -4.810 1.00 0.00 H new ATOM 0 HD21 ASN A 203 6.394 -3.798 -6.184 1.00 0.00 H new ATOM 0 HD22 ASN A 203 7.887 -4.655 -6.579 1.00 0.00 H new ATOM 205 N SER A 204 8.215 -4.542 -1.186 1.00 0.00 N ATOM 206 CA SER A 204 7.474 -5.569 -0.400 1.00 0.00 C ATOM 207 C SER A 204 6.017 -5.607 -0.858 1.00 0.00 C ATOM 208 O SER A 204 5.235 -6.421 -0.405 1.00 0.00 O ATOM 209 CB SER A 204 7.531 -5.217 1.087 1.00 0.00 C ATOM 210 OG SER A 204 6.633 -4.146 1.349 1.00 0.00 O ATOM 0 H SER A 204 8.163 -3.592 -0.818 1.00 0.00 H new ATOM 0 HA SER A 204 7.932 -6.545 -0.559 1.00 0.00 H new ATOM 0 HB2 SER A 204 7.265 -6.086 1.689 1.00 0.00 H new ATOM 0 HB3 SER A 204 8.546 -4.934 1.367 1.00 0.00 H new ATOM 0 HG SER A 204 6.665 -3.918 2.302 1.00 0.00 H new ATOM 216 N CYS A 205 5.642 -4.726 -1.747 1.00 0.00 N ATOM 217 CA CYS A 205 4.231 -4.706 -2.230 1.00 0.00 C ATOM 218 C CYS A 205 4.196 -4.709 -3.758 1.00 0.00 C ATOM 219 O CYS A 205 5.049 -4.143 -4.414 1.00 0.00 O ATOM 220 CB CYS A 205 3.536 -3.443 -1.716 1.00 0.00 C ATOM 221 SG CYS A 205 2.457 -3.866 -0.326 1.00 0.00 S ATOM 0 H CYS A 205 6.252 -4.020 -2.159 1.00 0.00 H new ATOM 0 HA CYS A 205 3.718 -5.593 -1.858 1.00 0.00 H new ATOM 0 HB2 CYS A 205 4.279 -2.709 -1.403 1.00 0.00 H new ATOM 0 HB3 CYS A 205 2.953 -2.985 -2.516 1.00 0.00 H new ATOM 226 N ASP A 206 3.205 -5.336 -4.332 1.00 0.00 N ATOM 227 CA ASP A 206 3.101 -5.368 -5.818 1.00 0.00 C ATOM 228 C ASP A 206 2.899 -3.945 -6.345 1.00 0.00 C ATOM 229 O ASP A 206 3.402 -3.580 -7.388 1.00 0.00 O ATOM 230 CB ASP A 206 1.909 -6.237 -6.228 1.00 0.00 C ATOM 231 CG ASP A 206 2.185 -7.698 -5.867 1.00 0.00 C ATOM 232 OD1 ASP A 206 3.314 -7.998 -5.512 1.00 0.00 O ATOM 233 OD2 ASP A 206 1.263 -8.494 -5.951 1.00 0.00 O ATOM 0 H ASP A 206 2.462 -5.828 -3.835 1.00 0.00 H new ATOM 0 HA ASP A 206 4.016 -5.785 -6.237 1.00 0.00 H new ATOM 0 HB2 ASP A 206 1.006 -5.893 -5.724 1.00 0.00 H new ATOM 0 HB3 ASP A 206 1.731 -6.145 -7.299 1.00 0.00 H new ATOM 239 N PHE A 207 2.155 -3.144 -5.630 1.00 0.00 N ATOM 240 CA PHE A 207 1.906 -1.746 -6.085 1.00 0.00 C ATOM 241 C PHE A 207 2.403 -0.764 -5.025 1.00 0.00 C ATOM 242 O PHE A 207 2.524 -1.094 -3.862 1.00 0.00 O ATOM 243 CB PHE A 207 0.406 -1.544 -6.293 1.00 0.00 C ATOM 244 CG PHE A 207 -0.272 -2.890 -6.343 1.00 0.00 C ATOM 245 CD1 PHE A 207 0.007 -3.778 -7.387 1.00 0.00 C ATOM 246 CD2 PHE A 207 -1.172 -3.254 -5.336 1.00 0.00 C ATOM 247 CE1 PHE A 207 -0.616 -5.031 -7.427 1.00 0.00 C ATOM 248 CE2 PHE A 207 -1.795 -4.505 -5.375 1.00 0.00 C ATOM 249 CZ PHE A 207 -1.516 -5.395 -6.418 1.00 0.00 C ATOM 0 H PHE A 207 1.708 -3.398 -4.749 1.00 0.00 H new ATOM 0 HA PHE A 207 2.437 -1.570 -7.020 1.00 0.00 H new ATOM 0 HB2 PHE A 207 -0.008 -0.944 -5.483 1.00 0.00 H new ATOM 0 HB3 PHE A 207 0.225 -0.997 -7.219 1.00 0.00 H new ATOM 0 HD1 PHE A 207 0.704 -3.497 -8.163 1.00 0.00 H new ATOM 0 HD2 PHE A 207 -1.386 -2.569 -4.529 1.00 0.00 H new ATOM 0 HE1 PHE A 207 -0.403 -5.716 -8.235 1.00 0.00 H new ATOM 0 HE2 PHE A 207 -2.492 -4.785 -4.599 1.00 0.00 H new ATOM 0 HZ PHE A 207 -1.995 -6.363 -6.445 1.00 0.00 H new ATOM 259 N GLU A 208 2.684 0.448 -5.416 1.00 0.00 N ATOM 260 CA GLU A 208 3.161 1.458 -4.434 1.00 0.00 C ATOM 261 C GLU A 208 2.270 2.696 -4.528 1.00 0.00 C ATOM 262 O GLU A 208 1.756 3.017 -5.581 1.00 0.00 O ATOM 263 CB GLU A 208 4.607 1.838 -4.758 1.00 0.00 C ATOM 264 CG GLU A 208 5.496 0.601 -4.623 1.00 0.00 C ATOM 265 CD GLU A 208 5.429 -0.228 -5.907 1.00 0.00 C ATOM 266 OE1 GLU A 208 5.924 -1.343 -5.895 1.00 0.00 O ATOM 267 OE2 GLU A 208 4.881 0.263 -6.881 1.00 0.00 O ATOM 0 H GLU A 208 2.603 0.782 -6.376 1.00 0.00 H new ATOM 0 HA GLU A 208 3.116 1.048 -3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 208 4.672 2.238 -5.770 1.00 0.00 H new ATOM 0 HB3 GLU A 208 4.949 2.622 -4.082 1.00 0.00 H new ATOM 0 HG2 GLU A 208 6.525 0.901 -4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 208 5.172 -0.000 -3.774 1.00 0.00 H new ATOM 275 N ASP A 209 2.083 3.398 -3.446 1.00 0.00 N ATOM 276 CA ASP A 209 1.224 4.612 -3.504 1.00 0.00 C ATOM 277 C ASP A 209 1.957 5.695 -4.287 1.00 0.00 C ATOM 278 O ASP A 209 2.905 6.290 -3.815 1.00 0.00 O ATOM 279 CB ASP A 209 0.936 5.109 -2.088 1.00 0.00 C ATOM 280 CG ASP A 209 0.014 4.117 -1.378 1.00 0.00 C ATOM 281 OD1 ASP A 209 -0.070 4.179 -0.163 1.00 0.00 O ATOM 282 OD2 ASP A 209 -0.598 3.315 -2.065 1.00 0.00 O ATOM 0 H ASP A 209 2.484 3.186 -2.532 1.00 0.00 H new ATOM 0 HA ASP A 209 0.280 4.373 -3.994 1.00 0.00 H new ATOM 0 HB2 ASP A 209 1.868 5.218 -1.533 1.00 0.00 H new ATOM 0 HB3 ASP A 209 0.470 6.094 -2.124 1.00 0.00 H new ATOM 288 N LEU A 210 1.525 5.955 -5.485 1.00 0.00 N ATOM 289 CA LEU A 210 2.189 6.996 -6.310 1.00 0.00 C ATOM 290 C LEU A 210 2.101 8.347 -5.592 1.00 0.00 C ATOM 291 O LEU A 210 2.920 9.220 -5.794 1.00 0.00 O ATOM 292 CB LEU A 210 1.501 7.063 -7.676 1.00 0.00 C ATOM 293 CG LEU A 210 2.047 5.945 -8.569 1.00 0.00 C ATOM 294 CD1 LEU A 210 1.868 4.595 -7.872 1.00 0.00 C ATOM 295 CD2 LEU A 210 1.284 5.931 -9.895 1.00 0.00 C ATOM 0 H LEU A 210 0.735 5.488 -5.931 1.00 0.00 H new ATOM 0 HA LEU A 210 3.241 6.749 -6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 210 0.422 6.958 -7.559 1.00 0.00 H new ATOM 0 HB3 LEU A 210 1.678 8.034 -8.139 1.00 0.00 H new ATOM 0 HG LEU A 210 3.106 6.121 -8.756 1.00 0.00 H new ATOM 0 HD11 LEU A 210 2.257 3.802 -8.510 1.00 0.00 H new ATOM 0 HD12 LEU A 210 2.410 4.599 -6.926 1.00 0.00 H new ATOM 0 HD13 LEU A 210 0.809 4.421 -7.682 1.00 0.00 H new ATOM 0 HD21 LEU A 210 1.673 5.135 -10.530 1.00 0.00 H new ATOM 0 HD22 LEU A 210 0.225 5.758 -9.704 1.00 0.00 H new ATOM 0 HD23 LEU A 210 1.410 6.890 -10.397 1.00 0.00 H new ATOM 307 N LEU A 211 1.115 8.519 -4.750 1.00 0.00 N ATOM 308 CA LEU A 211 0.974 9.809 -4.010 1.00 0.00 C ATOM 309 C LEU A 211 1.245 9.578 -2.518 1.00 0.00 C ATOM 310 O LEU A 211 0.967 8.522 -1.984 1.00 0.00 O ATOM 311 CB LEU A 211 -0.446 10.347 -4.191 1.00 0.00 C ATOM 312 CG LEU A 211 -0.762 10.436 -5.684 1.00 0.00 C ATOM 313 CD1 LEU A 211 -2.150 11.047 -5.879 1.00 0.00 C ATOM 314 CD2 LEU A 211 0.284 11.312 -6.375 1.00 0.00 C ATOM 0 H LEU A 211 0.401 7.821 -4.543 1.00 0.00 H new ATOM 0 HA LEU A 211 1.691 10.531 -4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -1.162 9.693 -3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -0.537 11.330 -3.728 1.00 0.00 H new ATOM 0 HG LEU A 211 -0.743 9.436 -6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -2.374 11.110 -6.944 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -2.895 10.421 -5.388 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -2.172 12.046 -5.444 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.059 11.376 -7.440 1.00 0.00 H new ATOM 0 HD22 LEU A 211 0.267 12.311 -5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 211 1.273 10.874 -6.239 1.00 0.00 H new ATOM 326 N SER A 212 1.786 10.556 -1.840 1.00 0.00 N ATOM 327 CA SER A 212 2.072 10.387 -0.386 1.00 0.00 C ATOM 328 C SER A 212 0.815 10.710 0.426 1.00 0.00 C ATOM 329 O SER A 212 0.799 10.588 1.634 1.00 0.00 O ATOM 330 CB SER A 212 3.209 11.328 0.022 1.00 0.00 C ATOM 331 OG SER A 212 2.720 12.661 0.080 1.00 0.00 O ATOM 0 H SER A 212 2.042 11.463 -2.230 1.00 0.00 H new ATOM 0 HA SER A 212 2.369 9.357 -0.191 1.00 0.00 H new ATOM 0 HB2 SER A 212 3.610 11.033 0.992 1.00 0.00 H new ATOM 0 HB3 SER A 212 4.027 11.260 -0.695 1.00 0.00 H new ATOM 0 HG SER A 212 3.446 13.265 0.343 1.00 0.00 H new ATOM 337 N ASN A 213 -0.240 11.114 -0.226 1.00 0.00 N ATOM 338 CA ASN A 213 -1.494 11.435 0.510 1.00 0.00 C ATOM 339 C ASN A 213 -2.570 10.424 0.115 1.00 0.00 C ATOM 340 O ASN A 213 -3.752 10.678 0.238 1.00 0.00 O ATOM 341 CB ASN A 213 -1.959 12.846 0.142 1.00 0.00 C ATOM 342 CG ASN A 213 -0.884 13.863 0.531 1.00 0.00 C ATOM 343 OD1 ASN A 213 0.052 13.513 1.366 1.00 0.00 O flip ATOM 344 ND2 ASN A 213 -0.899 14.988 0.069 1.00 0.00 N flip ATOM 0 H ASN A 213 -0.287 11.236 -1.238 1.00 0.00 H new ATOM 0 HA ASN A 213 -1.315 11.387 1.584 1.00 0.00 H new ATOM 0 HB2 ASN A 213 -2.159 12.906 -0.928 1.00 0.00 H new ATOM 0 HB3 ASN A 213 -2.893 13.076 0.654 1.00 0.00 H new ATOM 0 HD21 ASN A 213 -1.633 15.261 -0.585 1.00 0.00 H new ATOM 0 HD22 ASN A 213 -0.178 15.658 0.335 1.00 0.00 H new ATOM 351 N CYS A 214 -2.168 9.286 -0.375 1.00 0.00 N ATOM 352 CA CYS A 214 -3.162 8.263 -0.798 1.00 0.00 C ATOM 353 C CYS A 214 -4.094 7.910 0.360 1.00 0.00 C ATOM 354 O CYS A 214 -5.297 7.843 0.194 1.00 0.00 O ATOM 355 CB CYS A 214 -2.429 7.015 -1.273 1.00 0.00 C ATOM 356 SG CYS A 214 -2.082 7.185 -3.035 1.00 0.00 S ATOM 0 H CYS A 214 -1.191 9.020 -0.501 1.00 0.00 H new ATOM 0 HA CYS A 214 -3.763 8.667 -1.612 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -1.501 6.886 -0.716 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -3.036 6.128 -1.091 1.00 0.00 H new ATOM 361 N GLU A 215 -3.568 7.697 1.532 1.00 0.00 N ATOM 362 CA GLU A 215 -4.463 7.369 2.672 1.00 0.00 C ATOM 363 C GLU A 215 -5.466 8.509 2.827 1.00 0.00 C ATOM 364 O GLU A 215 -6.622 8.301 3.137 1.00 0.00 O ATOM 365 CB GLU A 215 -3.641 7.222 3.954 1.00 0.00 C ATOM 366 CG GLU A 215 -4.560 6.788 5.096 1.00 0.00 C ATOM 367 CD GLU A 215 -5.106 5.387 4.807 1.00 0.00 C ATOM 368 OE1 GLU A 215 -4.459 4.661 4.069 1.00 0.00 O ATOM 369 OE2 GLU A 215 -6.162 5.066 5.327 1.00 0.00 O ATOM 0 H GLU A 215 -2.572 7.735 1.748 1.00 0.00 H new ATOM 0 HA GLU A 215 -4.983 6.429 2.486 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -2.849 6.487 3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -3.157 8.167 4.200 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -4.012 6.789 6.038 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -5.382 7.495 5.204 1.00 0.00 H new ATOM 377 N SER A 216 -5.028 9.716 2.597 1.00 0.00 N ATOM 378 CA SER A 216 -5.945 10.882 2.710 1.00 0.00 C ATOM 379 C SER A 216 -7.029 10.787 1.632 1.00 0.00 C ATOM 380 O SER A 216 -8.181 11.089 1.867 1.00 0.00 O ATOM 381 CB SER A 216 -5.147 12.171 2.512 1.00 0.00 C ATOM 382 OG SER A 216 -5.986 13.287 2.771 1.00 0.00 O ATOM 0 H SER A 216 -4.069 9.945 2.334 1.00 0.00 H new ATOM 0 HA SER A 216 -6.412 10.885 3.695 1.00 0.00 H new ATOM 0 HB2 SER A 216 -4.286 12.186 3.181 1.00 0.00 H new ATOM 0 HB3 SER A 216 -4.761 12.220 1.494 1.00 0.00 H new ATOM 0 HG SER A 216 -5.477 14.115 2.646 1.00 0.00 H new ATOM 388 N LEU A 217 -6.659 10.378 0.448 1.00 0.00 N ATOM 389 CA LEU A 217 -7.658 10.270 -0.656 1.00 0.00 C ATOM 390 C LEU A 217 -8.674 9.172 -0.348 1.00 0.00 C ATOM 391 O LEU A 217 -9.833 9.278 -0.689 1.00 0.00 O ATOM 392 CB LEU A 217 -6.938 9.935 -1.961 1.00 0.00 C ATOM 393 CG LEU A 217 -5.908 11.020 -2.267 1.00 0.00 C ATOM 394 CD1 LEU A 217 -5.180 10.683 -3.569 1.00 0.00 C ATOM 395 CD2 LEU A 217 -6.617 12.367 -2.416 1.00 0.00 C ATOM 0 H LEU A 217 -5.706 10.113 0.197 1.00 0.00 H new ATOM 0 HA LEU A 217 -8.181 11.222 -0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.447 8.965 -1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -7.657 9.861 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 217 -5.187 11.075 -1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -4.445 11.458 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -4.675 9.723 -3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.901 10.627 -4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -5.883 13.142 -2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -7.338 12.310 -3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -7.136 12.610 -1.489 1.00 0.00 H new ATOM 407 N LYS A 218 -8.254 8.114 0.286 1.00 0.00 N ATOM 408 CA LYS A 218 -9.207 7.015 0.599 1.00 0.00 C ATOM 409 C LYS A 218 -10.387 7.588 1.388 1.00 0.00 C ATOM 410 O LYS A 218 -11.529 7.252 1.147 1.00 0.00 O ATOM 411 CB LYS A 218 -8.491 5.953 1.438 1.00 0.00 C ATOM 412 CG LYS A 218 -9.160 4.586 1.246 1.00 0.00 C ATOM 413 CD LYS A 218 -10.343 4.440 2.208 1.00 0.00 C ATOM 414 CE LYS A 218 -9.842 4.490 3.651 1.00 0.00 C ATOM 415 NZ LYS A 218 -10.547 3.454 4.459 1.00 0.00 N ATOM 0 H LYS A 218 -7.295 7.963 0.600 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.571 6.562 -0.323 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -7.442 5.896 1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -8.516 6.233 2.491 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -9.503 4.482 0.217 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -8.437 3.790 1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -11.065 5.238 2.036 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -10.859 3.498 2.024 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -8.766 4.319 3.680 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -10.019 5.479 4.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -10.206 3.488 5.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -11.571 3.637 4.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -10.357 2.513 4.059 1.00 0.00 H new ATOM 429 N THR A 219 -10.120 8.457 2.324 1.00 0.00 N ATOM 430 CA THR A 219 -11.220 9.055 3.122 1.00 0.00 C ATOM 431 C THR A 219 -11.986 10.077 2.277 1.00 0.00 C ATOM 432 O THR A 219 -13.180 10.253 2.433 1.00 0.00 O ATOM 433 CB THR A 219 -10.621 9.755 4.342 1.00 0.00 C ATOM 434 OG1 THR A 219 -9.779 10.816 3.911 1.00 0.00 O ATOM 435 CG2 THR A 219 -9.804 8.754 5.162 1.00 0.00 C ATOM 0 H THR A 219 -9.183 8.778 2.569 1.00 0.00 H new ATOM 0 HA THR A 219 -11.907 8.270 3.438 1.00 0.00 H new ATOM 0 HB THR A 219 -11.424 10.155 4.961 1.00 0.00 H new ATOM 0 HG1 THR A 219 -9.381 10.587 3.045 1.00 0.00 H new ATOM 0 HG21 THR A 219 -9.379 9.257 6.031 1.00 0.00 H new ATOM 0 HG22 THR A 219 -10.451 7.941 5.493 1.00 0.00 H new ATOM 0 HG23 THR A 219 -9.000 8.350 4.547 1.00 0.00 H new ATOM 443 N SER A 220 -11.312 10.761 1.394 1.00 0.00 N ATOM 444 CA SER A 220 -12.009 11.780 0.554 1.00 0.00 C ATOM 445 C SER A 220 -12.504 11.144 -0.748 1.00 0.00 C ATOM 446 O SER A 220 -13.376 11.671 -1.411 1.00 0.00 O ATOM 447 CB SER A 220 -11.043 12.918 0.227 1.00 0.00 C ATOM 448 OG SER A 220 -10.110 12.475 -0.751 1.00 0.00 O ATOM 0 H SER A 220 -10.313 10.660 1.217 1.00 0.00 H new ATOM 0 HA SER A 220 -12.864 12.169 1.107 1.00 0.00 H new ATOM 0 HB2 SER A 220 -11.593 13.783 -0.144 1.00 0.00 H new ATOM 0 HB3 SER A 220 -10.519 13.236 1.128 1.00 0.00 H new ATOM 0 HG SER A 220 -9.490 13.203 -0.965 1.00 0.00 H new ATOM 454 N ALA A 221 -11.956 10.020 -1.122 1.00 0.00 N ATOM 455 CA ALA A 221 -12.399 9.356 -2.382 1.00 0.00 C ATOM 456 C ALA A 221 -12.884 7.942 -2.063 1.00 0.00 C ATOM 457 O ALA A 221 -14.062 7.707 -1.872 1.00 0.00 O ATOM 458 CB ALA A 221 -11.229 9.287 -3.369 1.00 0.00 C ATOM 0 H ALA A 221 -11.221 9.532 -0.610 1.00 0.00 H new ATOM 0 HA ALA A 221 -13.211 9.929 -2.829 1.00 0.00 H new ATOM 0 HB1 ALA A 221 -11.557 8.801 -4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 221 -10.884 10.296 -3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 221 -10.413 8.715 -2.927 1.00 0.00 H new ATOM 464 N GLY A 222 -11.987 6.999 -2.000 1.00 0.00 N ATOM 465 CA GLY A 222 -12.396 5.601 -1.687 1.00 0.00 C ATOM 466 C GLY A 222 -11.529 4.619 -2.474 1.00 0.00 C ATOM 467 O GLY A 222 -11.119 4.886 -3.587 1.00 0.00 O ATOM 0 H GLY A 222 -10.988 7.135 -2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 222 -12.295 5.414 -0.618 1.00 0.00 H new ATOM 0 HA3 GLY A 222 -13.447 5.455 -1.938 1.00 0.00 H new ATOM 471 N CYS A 223 -11.249 3.479 -1.905 1.00 0.00 N ATOM 472 CA CYS A 223 -10.412 2.474 -2.619 1.00 0.00 C ATOM 473 C CYS A 223 -11.100 2.060 -3.918 1.00 0.00 C ATOM 474 O CYS A 223 -10.482 1.981 -4.962 1.00 0.00 O ATOM 475 CB CYS A 223 -10.249 1.243 -1.730 1.00 0.00 C ATOM 476 SG CYS A 223 -9.308 1.684 -0.251 1.00 0.00 S ATOM 0 H CYS A 223 -11.564 3.200 -0.976 1.00 0.00 H new ATOM 0 HA CYS A 223 -9.438 2.907 -2.846 1.00 0.00 H new ATOM 0 HB2 CYS A 223 -11.227 0.853 -1.448 1.00 0.00 H new ATOM 0 HB3 CYS A 223 -9.736 0.452 -2.277 1.00 0.00 H new ATOM 481 N LYS A 224 -12.376 1.801 -3.863 1.00 0.00 N ATOM 482 CA LYS A 224 -13.103 1.400 -5.096 1.00 0.00 C ATOM 483 C LYS A 224 -12.955 2.500 -6.142 1.00 0.00 C ATOM 484 O LYS A 224 -13.027 2.252 -7.329 1.00 0.00 O ATOM 485 CB LYS A 224 -14.580 1.167 -4.779 1.00 0.00 C ATOM 486 CG LYS A 224 -14.704 -0.050 -3.861 1.00 0.00 C ATOM 487 CD LYS A 224 -16.180 -0.389 -3.653 1.00 0.00 C ATOM 488 CE LYS A 224 -16.303 -1.513 -2.622 1.00 0.00 C ATOM 489 NZ LYS A 224 -15.999 -0.977 -1.265 1.00 0.00 N ATOM 0 H LYS A 224 -12.945 1.850 -3.018 1.00 0.00 H new ATOM 0 HA LYS A 224 -12.682 0.472 -5.484 1.00 0.00 H new ATOM 0 HB2 LYS A 224 -15.006 2.047 -4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 224 -15.142 1.004 -5.699 1.00 0.00 H new ATOM 0 HG2 LYS A 224 -14.183 -0.902 -4.298 1.00 0.00 H new ATOM 0 HG3 LYS A 224 -14.229 0.156 -2.902 1.00 0.00 H new ATOM 0 HD2 LYS A 224 -16.723 0.493 -3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 224 -16.631 -0.696 -4.597 1.00 0.00 H new ATOM 0 HE2 LYS A 224 -17.309 -1.931 -2.643 1.00 0.00 H new ATOM 0 HE3 LYS A 224 -15.616 -2.323 -2.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 -16.368 -1.629 -0.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 -14.970 -0.882 -1.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 -16.448 -0.046 -1.151 1.00 0.00 H new ATOM 503 N HIS A 225 -12.742 3.717 -5.718 1.00 0.00 N ATOM 504 CA HIS A 225 -12.581 4.815 -6.706 1.00 0.00 C ATOM 505 C HIS A 225 -11.454 4.436 -7.666 1.00 0.00 C ATOM 506 O HIS A 225 -10.358 4.107 -7.255 1.00 0.00 O ATOM 507 CB HIS A 225 -12.229 6.119 -5.987 1.00 0.00 C ATOM 508 CG HIS A 225 -12.254 7.248 -6.978 1.00 0.00 C ATOM 509 ND1 HIS A 225 -11.899 7.065 -8.306 1.00 0.00 N ATOM 510 CD2 HIS A 225 -12.599 8.572 -6.861 1.00 0.00 C ATOM 511 CE1 HIS A 225 -12.037 8.247 -8.932 1.00 0.00 C ATOM 512 NE2 HIS A 225 -12.460 9.197 -8.095 1.00 0.00 N ATOM 0 H HIS A 225 -12.673 3.994 -4.739 1.00 0.00 H new ATOM 0 HA HIS A 225 -13.511 4.961 -7.255 1.00 0.00 H new ATOM 0 HB2 HIS A 225 -12.940 6.309 -5.183 1.00 0.00 H new ATOM 0 HB3 HIS A 225 -11.243 6.042 -5.529 1.00 0.00 H new ATOM 0 HD2 HIS A 225 -12.927 9.053 -5.952 1.00 0.00 H new ATOM 0 HE1 HIS A 225 -11.831 8.408 -9.980 1.00 0.00 H new ATOM 0 HE2 HIS A 225 -12.643 10.176 -8.315 1.00 0.00 H new ATOM 521 N GLU A 226 -11.718 4.463 -8.942 1.00 0.00 N ATOM 522 CA GLU A 226 -10.669 4.087 -9.931 1.00 0.00 C ATOM 523 C GLU A 226 -9.410 4.929 -9.722 1.00 0.00 C ATOM 524 O GLU A 226 -8.305 4.468 -9.927 1.00 0.00 O ATOM 525 CB GLU A 226 -11.208 4.308 -11.346 1.00 0.00 C ATOM 526 CG GLU A 226 -10.164 3.851 -12.363 1.00 0.00 C ATOM 527 CD GLU A 226 -10.674 4.127 -13.779 1.00 0.00 C ATOM 528 OE1 GLU A 226 -9.937 3.862 -14.715 1.00 0.00 O ATOM 529 OE2 GLU A 226 -11.793 4.596 -13.904 1.00 0.00 O ATOM 0 H GLU A 226 -12.617 4.730 -9.344 1.00 0.00 H new ATOM 0 HA GLU A 226 -10.411 3.037 -9.793 1.00 0.00 H new ATOM 0 HB2 GLU A 226 -12.135 3.752 -11.485 1.00 0.00 H new ATOM 0 HB3 GLU A 226 -11.443 5.362 -11.497 1.00 0.00 H new ATOM 0 HG2 GLU A 226 -9.224 4.376 -12.195 1.00 0.00 H new ATOM 0 HG3 GLU A 226 -9.962 2.787 -12.239 1.00 0.00 H new ATOM 537 N LEU A 227 -9.558 6.160 -9.321 1.00 0.00 N ATOM 538 CA LEU A 227 -8.357 7.018 -9.112 1.00 0.00 C ATOM 539 C LEU A 227 -7.397 6.336 -8.136 1.00 0.00 C ATOM 540 O LEU A 227 -6.212 6.255 -8.385 1.00 0.00 O ATOM 541 CB LEU A 227 -8.786 8.376 -8.542 1.00 0.00 C ATOM 542 CG LEU A 227 -8.968 9.414 -9.662 1.00 0.00 C ATOM 543 CD1 LEU A 227 -7.646 10.148 -9.887 1.00 0.00 C ATOM 544 CD2 LEU A 227 -9.401 8.743 -10.975 1.00 0.00 C ATOM 0 H LEU A 227 -10.454 6.609 -9.129 1.00 0.00 H new ATOM 0 HA LEU A 227 -7.854 7.168 -10.067 1.00 0.00 H new ATOM 0 HB2 LEU A 227 -9.720 8.264 -7.991 1.00 0.00 H new ATOM 0 HB3 LEU A 227 -8.037 8.729 -7.833 1.00 0.00 H new ATOM 0 HG LEU A 227 -9.746 10.115 -9.359 1.00 0.00 H new ATOM 0 HD11 LEU A 227 -7.770 10.885 -10.680 1.00 0.00 H new ATOM 0 HD12 LEU A 227 -7.348 10.651 -8.967 1.00 0.00 H new ATOM 0 HD13 LEU A 227 -6.876 9.432 -10.174 1.00 0.00 H new ATOM 0 HD21 LEU A 227 -9.522 9.501 -11.749 1.00 0.00 H new ATOM 0 HD22 LEU A 227 -8.641 8.026 -11.285 1.00 0.00 H new ATOM 0 HD23 LEU A 227 -10.348 8.225 -10.824 1.00 0.00 H new ATOM 556 N LEU A 228 -7.888 5.838 -7.032 1.00 0.00 N ATOM 557 CA LEU A 228 -6.984 5.164 -6.059 1.00 0.00 C ATOM 558 C LEU A 228 -6.455 3.871 -6.667 1.00 0.00 C ATOM 559 O LEU A 228 -5.381 3.408 -6.338 1.00 0.00 O ATOM 560 CB LEU A 228 -7.738 4.851 -4.759 1.00 0.00 C ATOM 561 CG LEU A 228 -7.782 6.101 -3.874 1.00 0.00 C ATOM 562 CD1 LEU A 228 -8.913 7.019 -4.333 1.00 0.00 C ATOM 563 CD2 LEU A 228 -8.018 5.690 -2.419 1.00 0.00 C ATOM 0 H LEU A 228 -8.872 5.869 -6.764 1.00 0.00 H new ATOM 0 HA LEU A 228 -6.151 5.829 -5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 228 -8.751 4.518 -4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 228 -7.246 4.036 -4.229 1.00 0.00 H new ATOM 0 HG LEU A 228 -6.833 6.631 -3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 228 -8.941 7.907 -3.701 1.00 0.00 H new ATOM 0 HD12 LEU A 228 -8.743 7.316 -5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 228 -9.863 6.491 -4.258 1.00 0.00 H new ATOM 0 HD21 LEU A 228 -8.049 6.580 -1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 228 -8.965 5.157 -2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 228 -7.208 5.040 -2.088 1.00 0.00 H new ATOM 575 N LYS A 229 -7.210 3.281 -7.542 1.00 0.00 N ATOM 576 CA LYS A 229 -6.777 2.008 -8.168 1.00 0.00 C ATOM 577 C LYS A 229 -5.637 2.246 -9.161 1.00 0.00 C ATOM 578 O LYS A 229 -5.135 1.314 -9.755 1.00 0.00 O ATOM 579 CB LYS A 229 -7.963 1.372 -8.895 1.00 0.00 C ATOM 580 CG LYS A 229 -9.095 1.103 -7.902 1.00 0.00 C ATOM 581 CD LYS A 229 -8.647 0.048 -6.886 1.00 0.00 C ATOM 582 CE LYS A 229 -9.874 -0.537 -6.188 1.00 0.00 C ATOM 583 NZ LYS A 229 -9.629 -0.601 -4.720 1.00 0.00 N ATOM 0 H LYS A 229 -8.117 3.629 -7.854 1.00 0.00 H new ATOM 0 HA LYS A 229 -6.417 1.341 -7.385 1.00 0.00 H new ATOM 0 HB2 LYS A 229 -8.312 2.033 -9.688 1.00 0.00 H new ATOM 0 HB3 LYS A 229 -7.654 0.441 -9.369 1.00 0.00 H new ATOM 0 HG2 LYS A 229 -9.368 2.025 -7.388 1.00 0.00 H new ATOM 0 HG3 LYS A 229 -9.983 0.758 -8.432 1.00 0.00 H new ATOM 0 HD2 LYS A 229 -8.089 -0.742 -7.388 1.00 0.00 H new ATOM 0 HD3 LYS A 229 -7.976 0.495 -6.152 1.00 0.00 H new ATOM 0 HE2 LYS A 229 -10.750 0.078 -6.394 1.00 0.00 H new ATOM 0 HE3 LYS A 229 -10.085 -1.534 -6.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 229 -10.516 -0.837 -4.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 229 -8.917 -1.332 -4.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 229 -9.283 0.321 -4.385 1.00 0.00 H new ATOM 597 N THR A 230 -5.227 3.472 -9.371 1.00 0.00 N ATOM 598 CA THR A 230 -4.125 3.704 -10.354 1.00 0.00 C ATOM 599 C THR A 230 -2.920 4.398 -9.696 1.00 0.00 C ATOM 600 O THR A 230 -1.817 4.324 -10.200 1.00 0.00 O ATOM 601 CB THR A 230 -4.653 4.525 -11.540 1.00 0.00 C ATOM 602 OG1 THR A 230 -3.939 4.166 -12.714 1.00 0.00 O ATOM 603 CG2 THR A 230 -4.486 6.021 -11.279 1.00 0.00 C ATOM 0 H THR A 230 -5.598 4.306 -8.915 1.00 0.00 H new ATOM 0 HA THR A 230 -3.778 2.737 -10.719 1.00 0.00 H new ATOM 0 HB THR A 230 -5.714 4.312 -11.669 1.00 0.00 H new ATOM 0 HG1 THR A 230 -4.275 4.687 -13.473 1.00 0.00 H new ATOM 0 HG21 THR A 230 -4.866 6.584 -12.132 1.00 0.00 H new ATOM 0 HG22 THR A 230 -5.042 6.298 -10.384 1.00 0.00 H new ATOM 0 HG23 THR A 230 -3.430 6.250 -11.135 1.00 0.00 H new ATOM 611 N LYS A 231 -3.099 5.047 -8.574 1.00 0.00 N ATOM 612 CA LYS A 231 -1.928 5.702 -7.907 1.00 0.00 C ATOM 613 C LYS A 231 -1.940 5.363 -6.412 1.00 0.00 C ATOM 614 O LYS A 231 -0.955 5.533 -5.720 1.00 0.00 O ATOM 615 CB LYS A 231 -1.966 7.225 -8.091 1.00 0.00 C ATOM 616 CG LYS A 231 -3.396 7.698 -8.297 1.00 0.00 C ATOM 617 CD LYS A 231 -4.204 7.372 -7.050 1.00 0.00 C ATOM 618 CE LYS A 231 -5.435 8.280 -6.989 1.00 0.00 C ATOM 619 NZ LYS A 231 -5.074 9.545 -6.288 1.00 0.00 N ATOM 0 H LYS A 231 -3.993 5.153 -8.094 1.00 0.00 H new ATOM 0 HA LYS A 231 -1.014 5.327 -8.367 1.00 0.00 H new ATOM 0 HB2 LYS A 231 -1.537 7.714 -7.217 1.00 0.00 H new ATOM 0 HB3 LYS A 231 -1.355 7.510 -8.948 1.00 0.00 H new ATOM 0 HG2 LYS A 231 -3.415 8.771 -8.489 1.00 0.00 H new ATOM 0 HG3 LYS A 231 -3.833 7.210 -9.168 1.00 0.00 H new ATOM 0 HD2 LYS A 231 -4.511 6.326 -7.065 1.00 0.00 H new ATOM 0 HD3 LYS A 231 -3.591 7.512 -6.160 1.00 0.00 H new ATOM 0 HE2 LYS A 231 -5.793 8.497 -7.996 1.00 0.00 H new ATOM 0 HE3 LYS A 231 -6.247 7.778 -6.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 -5.931 10.115 -6.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 -4.641 9.321 -5.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 -4.398 10.082 -6.867 1.00 0.00 H new ATOM 633 N CYS A 232 -3.044 4.872 -5.911 1.00 0.00 N ATOM 634 CA CYS A 232 -3.119 4.502 -4.465 1.00 0.00 C ATOM 635 C CYS A 232 -3.377 3.002 -4.351 1.00 0.00 C ATOM 636 O CYS A 232 -3.868 2.517 -3.352 1.00 0.00 O ATOM 637 CB CYS A 232 -4.260 5.265 -3.796 1.00 0.00 C ATOM 638 SG CYS A 232 -3.912 7.036 -3.871 1.00 0.00 S ATOM 0 H CYS A 232 -3.900 4.711 -6.442 1.00 0.00 H new ATOM 0 HA CYS A 232 -2.181 4.757 -3.972 1.00 0.00 H new ATOM 0 HB2 CYS A 232 -5.203 5.046 -4.297 1.00 0.00 H new ATOM 0 HB3 CYS A 232 -4.368 4.947 -2.759 1.00 0.00 H new ATOM 643 N GLN A 233 -3.053 2.270 -5.376 1.00 0.00 N ATOM 644 CA GLN A 233 -3.279 0.801 -5.353 1.00 0.00 C ATOM 645 C GLN A 233 -2.637 0.202 -4.100 1.00 0.00 C ATOM 646 O GLN A 233 -3.196 -0.664 -3.461 1.00 0.00 O ATOM 647 CB GLN A 233 -2.633 0.190 -6.597 1.00 0.00 C ATOM 648 CG GLN A 233 -3.306 0.760 -7.848 1.00 0.00 C ATOM 649 CD GLN A 233 -2.558 0.288 -9.096 1.00 0.00 C ATOM 650 OE1 GLN A 233 -1.511 -0.319 -8.997 1.00 0.00 O ATOM 651 NE2 GLN A 233 -3.052 0.549 -10.277 1.00 0.00 N ATOM 0 H GLN A 233 -2.638 2.629 -6.236 1.00 0.00 H new ATOM 0 HA GLN A 233 -4.348 0.589 -5.342 1.00 0.00 H new ATOM 0 HB2 GLN A 233 -1.566 0.410 -6.612 1.00 0.00 H new ATOM 0 HB3 GLN A 233 -2.734 -0.895 -6.578 1.00 0.00 H new ATOM 0 HG2 GLN A 233 -4.346 0.438 -7.892 1.00 0.00 H new ATOM 0 HG3 GLN A 233 -3.311 1.849 -7.806 1.00 0.00 H new ATOM 0 HE21 GLN A 233 -3.931 1.059 -10.361 1.00 0.00 H new ATOM 0 HE22 GLN A 233 -2.558 0.243 -11.115 1.00 0.00 H new ATOM 660 N ALA A 234 -1.472 0.656 -3.737 1.00 0.00 N ATOM 661 CA ALA A 234 -0.808 0.102 -2.525 1.00 0.00 C ATOM 662 C ALA A 234 -1.542 0.572 -1.271 1.00 0.00 C ATOM 663 O ALA A 234 -1.602 -0.124 -0.278 1.00 0.00 O ATOM 664 CB ALA A 234 0.642 0.572 -2.485 1.00 0.00 C ATOM 0 H ALA A 234 -0.951 1.385 -4.225 1.00 0.00 H new ATOM 0 HA ALA A 234 -0.835 -0.987 -2.562 1.00 0.00 H new ATOM 0 HB1 ALA A 234 1.131 0.168 -1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 234 1.162 0.223 -3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 234 0.671 1.661 -2.451 1.00 0.00 H new ATOM 670 N THR A 235 -2.107 1.743 -1.304 1.00 0.00 N ATOM 671 CA THR A 235 -2.840 2.240 -0.111 1.00 0.00 C ATOM 672 C THR A 235 -4.084 1.381 0.098 1.00 0.00 C ATOM 673 O THR A 235 -4.591 1.261 1.196 1.00 0.00 O ATOM 674 CB THR A 235 -3.236 3.702 -0.332 1.00 0.00 C ATOM 675 OG1 THR A 235 -2.283 4.547 0.296 1.00 0.00 O ATOM 676 CG2 THR A 235 -4.626 3.968 0.253 1.00 0.00 C ATOM 0 H THR A 235 -2.093 2.376 -2.103 1.00 0.00 H new ATOM 0 HA THR A 235 -2.206 2.177 0.774 1.00 0.00 H new ATOM 0 HB THR A 235 -3.260 3.908 -1.402 1.00 0.00 H new ATOM 0 HG1 THR A 235 -1.424 4.080 0.360 1.00 0.00 H new ATOM 0 HG21 THR A 235 -4.896 5.011 0.089 1.00 0.00 H new ATOM 0 HG22 THR A 235 -5.356 3.323 -0.236 1.00 0.00 H new ATOM 0 HG23 THR A 235 -4.617 3.759 1.323 1.00 0.00 H new ATOM 684 N CYS A 236 -4.586 0.787 -0.951 1.00 0.00 N ATOM 685 CA CYS A 236 -5.803 -0.058 -0.813 1.00 0.00 C ATOM 686 C CYS A 236 -5.522 -1.495 -1.272 1.00 0.00 C ATOM 687 O CYS A 236 -5.733 -2.439 -0.538 1.00 0.00 O ATOM 688 CB CYS A 236 -6.915 0.533 -1.675 1.00 0.00 C ATOM 689 SG CYS A 236 -7.465 2.100 -0.957 1.00 0.00 S ATOM 0 H CYS A 236 -4.206 0.851 -1.895 1.00 0.00 H new ATOM 0 HA CYS A 236 -6.101 -0.078 0.235 1.00 0.00 H new ATOM 0 HB2 CYS A 236 -6.556 0.693 -2.692 1.00 0.00 H new ATOM 0 HB3 CYS A 236 -7.751 -0.164 -1.738 1.00 0.00 H new ATOM 694 N LEU A 237 -5.066 -1.672 -2.485 1.00 0.00 N ATOM 695 CA LEU A 237 -4.800 -3.053 -2.983 1.00 0.00 C ATOM 696 C LEU A 237 -3.684 -3.715 -2.162 1.00 0.00 C ATOM 697 O LEU A 237 -3.703 -4.910 -1.945 1.00 0.00 O ATOM 698 CB LEU A 237 -4.418 -3.010 -4.467 1.00 0.00 C ATOM 699 CG LEU A 237 -5.557 -2.378 -5.270 1.00 0.00 C ATOM 700 CD1 LEU A 237 -5.192 -2.371 -6.756 1.00 0.00 C ATOM 701 CD2 LEU A 237 -6.825 -3.205 -5.072 1.00 0.00 C ATOM 0 H LEU A 237 -4.867 -0.924 -3.149 1.00 0.00 H new ATOM 0 HA LEU A 237 -5.707 -3.647 -2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 237 -3.502 -2.435 -4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 237 -4.218 -4.018 -4.831 1.00 0.00 H new ATOM 0 HG LEU A 237 -5.721 -1.356 -4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 237 -6.003 -1.921 -7.328 1.00 0.00 H new ATOM 0 HD12 LEU A 237 -4.280 -1.793 -6.904 1.00 0.00 H new ATOM 0 HD13 LEU A 237 -5.032 -3.394 -7.096 1.00 0.00 H new ATOM 0 HD21 LEU A 237 -7.642 -2.761 -5.641 1.00 0.00 H new ATOM 0 HD22 LEU A 237 -6.653 -4.224 -5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 237 -7.087 -3.221 -4.014 1.00 0.00 H new ATOM 713 N CYS A 238 -2.721 -2.963 -1.697 1.00 0.00 N ATOM 714 CA CYS A 238 -1.630 -3.587 -0.887 1.00 0.00 C ATOM 715 C CYS A 238 -1.655 -3.024 0.538 1.00 0.00 C ATOM 716 O CYS A 238 -1.073 -1.998 0.822 1.00 0.00 O ATOM 717 CB CYS A 238 -0.271 -3.299 -1.523 1.00 0.00 C ATOM 718 SG CYS A 238 0.838 -4.694 -1.205 1.00 0.00 S ATOM 0 H CYS A 238 -2.641 -1.956 -1.840 1.00 0.00 H new ATOM 0 HA CYS A 238 -1.789 -4.665 -0.856 1.00 0.00 H new ATOM 0 HB2 CYS A 238 -0.383 -3.145 -2.596 1.00 0.00 H new ATOM 0 HB3 CYS A 238 0.150 -2.382 -1.111 1.00 0.00 H new ATOM 723 N GLU A 239 -2.320 -3.701 1.435 1.00 0.00 N ATOM 724 CA GLU A 239 -2.382 -3.223 2.847 1.00 0.00 C ATOM 725 C GLU A 239 -3.113 -4.270 3.691 1.00 0.00 C ATOM 726 O GLU A 239 -2.759 -5.433 3.697 1.00 0.00 O ATOM 727 CB GLU A 239 -3.136 -1.890 2.909 1.00 0.00 C ATOM 728 CG GLU A 239 -2.923 -1.241 4.281 1.00 0.00 C ATOM 729 CD GLU A 239 -3.760 0.035 4.380 1.00 0.00 C ATOM 730 OE1 GLU A 239 -3.728 0.661 5.426 1.00 0.00 O ATOM 731 OE2 GLU A 239 -4.418 0.365 3.406 1.00 0.00 O ATOM 0 H GLU A 239 -2.825 -4.568 1.250 1.00 0.00 H new ATOM 0 HA GLU A 239 -1.373 -3.077 3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 239 -2.783 -1.224 2.122 1.00 0.00 H new ATOM 0 HB3 GLU A 239 -4.199 -2.054 2.734 1.00 0.00 H new ATOM 0 HG2 GLU A 239 -3.206 -1.936 5.071 1.00 0.00 H new ATOM 0 HG3 GLU A 239 -1.868 -1.008 4.425 1.00 0.00 H new ATOM 739 N ASP A 240 -4.132 -3.873 4.402 1.00 0.00 N ATOM 740 CA ASP A 240 -4.882 -4.851 5.238 1.00 0.00 C ATOM 741 C ASP A 240 -6.131 -5.303 4.485 1.00 0.00 C ATOM 742 O ASP A 240 -6.941 -6.048 4.999 1.00 0.00 O ATOM 743 CB ASP A 240 -5.293 -4.188 6.555 1.00 0.00 C ATOM 744 CG ASP A 240 -4.042 -3.825 7.356 1.00 0.00 C ATOM 745 OD1 ASP A 240 -2.979 -4.312 7.009 1.00 0.00 O ATOM 746 OD2 ASP A 240 -4.167 -3.061 8.299 1.00 0.00 O ATOM 0 H ASP A 240 -4.477 -2.914 4.440 1.00 0.00 H new ATOM 0 HA ASP A 240 -4.249 -5.713 5.449 1.00 0.00 H new ATOM 0 HB2 ASP A 240 -5.882 -3.293 6.355 1.00 0.00 H new ATOM 0 HB3 ASP A 240 -5.924 -4.863 7.133 1.00 0.00 H new ATOM 752 N LYS A 241 -6.297 -4.848 3.274 1.00 0.00 N ATOM 753 CA LYS A 241 -7.496 -5.239 2.482 1.00 0.00 C ATOM 754 C LYS A 241 -8.747 -4.758 3.215 1.00 0.00 C ATOM 755 O LYS A 241 -9.814 -5.323 3.087 1.00 0.00 O ATOM 756 CB LYS A 241 -7.530 -6.760 2.324 1.00 0.00 C ATOM 757 CG LYS A 241 -6.231 -7.220 1.664 1.00 0.00 C ATOM 758 CD LYS A 241 -6.228 -8.745 1.544 1.00 0.00 C ATOM 759 CE LYS A 241 -7.289 -9.183 0.532 1.00 0.00 C ATOM 760 NZ LYS A 241 -8.502 -9.648 1.260 1.00 0.00 N ATOM 0 H LYS A 241 -5.651 -4.219 2.797 1.00 0.00 H new ATOM 0 HA LYS A 241 -7.457 -4.785 1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 241 -7.648 -7.237 3.297 1.00 0.00 H new ATOM 0 HB3 LYS A 241 -8.386 -7.057 1.718 1.00 0.00 H new ATOM 0 HG2 LYS A 241 -6.133 -6.767 0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 241 -5.375 -6.890 2.253 1.00 0.00 H new ATOM 0 HD2 LYS A 241 -5.244 -9.093 1.228 1.00 0.00 H new ATOM 0 HD3 LYS A 241 -6.429 -9.197 2.515 1.00 0.00 H new ATOM 0 HE2 LYS A 241 -7.543 -8.353 -0.128 1.00 0.00 H new ATOM 0 HE3 LYS A 241 -6.899 -9.983 -0.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 241 -8.524 -10.688 1.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 241 -8.477 -9.294 2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 241 -9.353 -9.288 0.783 1.00 0.00 H new ATOM 774 N ILE A 242 -8.611 -3.709 3.982 1.00 0.00 N ATOM 775 CA ILE A 242 -9.771 -3.159 4.739 1.00 0.00 C ATOM 776 C ILE A 242 -10.732 -4.287 5.118 1.00 0.00 C ATOM 777 O ILE A 242 -11.912 -4.226 4.835 1.00 0.00 O ATOM 778 CB ILE A 242 -10.509 -2.136 3.874 1.00 0.00 C ATOM 779 CG1 ILE A 242 -9.548 -1.020 3.469 1.00 0.00 C ATOM 780 CG2 ILE A 242 -11.668 -1.540 4.675 1.00 0.00 C ATOM 781 CD1 ILE A 242 -10.246 -0.080 2.484 1.00 0.00 C ATOM 0 H ILE A 242 -7.735 -3.205 4.117 1.00 0.00 H new ATOM 0 HA ILE A 242 -9.406 -2.678 5.646 1.00 0.00 H new ATOM 0 HB ILE A 242 -10.893 -2.626 2.979 1.00 0.00 H new ATOM 0 HG12 ILE A 242 -9.225 -0.466 4.350 1.00 0.00 H new ATOM 0 HG13 ILE A 242 -8.653 -1.443 3.013 1.00 0.00 H new ATOM 0 HG21 ILE A 242 -12.197 -0.810 4.062 1.00 0.00 H new ATOM 0 HG22 ILE A 242 -12.355 -2.334 4.967 1.00 0.00 H new ATOM 0 HG23 ILE A 242 -11.279 -1.050 5.568 1.00 0.00 H new ATOM 0 HD11 ILE A 242 -9.561 0.717 2.194 1.00 0.00 H new ATOM 0 HD12 ILE A 242 -10.547 -0.639 1.598 1.00 0.00 H new ATOM 0 HD13 ILE A 242 -11.127 0.353 2.957 1.00 0.00 H new ATOM 793 N HIS A 243 -10.243 -5.313 5.758 1.00 0.00 N ATOM 794 CA HIS A 243 -11.138 -6.439 6.154 1.00 0.00 C ATOM 795 C HIS A 243 -11.042 -6.657 7.666 1.00 0.00 C ATOM 796 O HIS A 243 -10.318 -5.944 8.357 1.00 0.00 O ATOM 797 CB HIS A 243 -10.706 -7.715 5.429 1.00 0.00 C ATOM 798 CG HIS A 243 -9.956 -8.599 6.385 1.00 0.00 C ATOM 799 ND1 HIS A 243 -8.664 -8.311 6.797 1.00 0.00 N ATOM 800 CD2 HIS A 243 -10.305 -9.764 7.024 1.00 0.00 C ATOM 801 CE1 HIS A 243 -8.284 -9.283 7.648 1.00 0.00 C ATOM 802 NE2 HIS A 243 -9.246 -10.191 7.818 1.00 0.00 N ATOM 0 H HIS A 243 -9.264 -5.421 6.024 1.00 0.00 H new ATOM 0 HA HIS A 243 -12.166 -6.198 5.884 1.00 0.00 H new ATOM 0 HB2 HIS A 243 -11.579 -8.239 5.039 1.00 0.00 H new ATOM 0 HB3 HIS A 243 -10.076 -7.466 4.575 1.00 0.00 H new ATOM 0 HD2 HIS A 243 -11.254 -10.270 6.925 1.00 0.00 H new ATOM 0 HE1 HIS A 243 -7.320 -9.322 8.133 1.00 0.00 H new ATOM 0 HE2 HIS A 243 -9.212 -11.023 8.407 1.00 0.00 H new TER 811 HIS A 243