USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 687 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 62 TYR OH : rot 21:sc= -2.45! USER MOD Set 1.2: A 83 HIS : no HD1:sc= -0.942 K(o=-3.4,f=-5.2) USER MOD Set 2.1: A 71 SER OG : rot -110:sc= 0.248 USER MOD Set 2.2: A 73 THR OG1 : rot -150:sc= 1.16 USER MOD Single : A 8 THR OG1 : rot -31:sc= -0.408 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 30:sc= 0.207 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00402 USER MOD Single : A 40 HIS : no HE2:sc= 0.046 X(o=0.046,f=-0.23) USER MOD Single : A 44 THR OG1 : rot -109:sc= -0.52 USER MOD Single : A 47 SER OG : rot -28:sc= 0.618 USER MOD Single : A 51 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000587) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 59 GLN : amide:sc= 0.516 K(o=0.52,f=0) USER MOD Single : A 64 SER OG : rot 79:sc= 0.733 USER MOD Single : A 65 LYS NZ :NH3+ 157:sc= -0.0775 (180deg=-0.487) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 MET CE :methyl 159:sc= 0 (180deg=-0.655) USER MOD Single : A 87 SER OG : rot 77:sc= 1.27 USER MOD Single : A 88 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 92 SER OG : rot 92:sc= 1.22 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= 0.0757 K(o=0.076,f=-5.5!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0235 USER MOD Single : A 104 LYS NZ :NH3+ -136:sc= 0.71 (180deg=-0.0633) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 8 1.121 12.850 -2.785 1.00 0.00 N ATOM 121 CA THR A 8 1.352 11.444 -3.030 1.00 0.00 C ATOM 122 C THR A 8 0.638 10.587 -1.994 1.00 0.00 C ATOM 123 O THR A 8 -0.018 11.104 -1.082 1.00 0.00 O ATOM 124 CB THR A 8 2.860 11.143 -3.000 1.00 0.00 C ATOM 125 OG1 THR A 8 3.433 11.712 -1.815 1.00 0.00 O ATOM 126 CG2 THR A 8 3.555 11.709 -4.232 1.00 0.00 C ATOM 0 HA THR A 8 0.954 11.202 -4.015 1.00 0.00 H new ATOM 0 HB THR A 8 3.000 10.062 -2.998 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.938 12.521 -1.569 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.620 11.482 -4.185 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.127 11.261 -5.129 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.415 12.790 -4.264 1.00 0.00 H new ATOM 134 N VAL A 9 0.781 9.278 -2.133 1.00 0.00 N ATOM 135 CA VAL A 9 0.126 8.336 -1.244 1.00 0.00 C ATOM 136 C VAL A 9 0.721 8.415 0.160 1.00 0.00 C ATOM 137 O VAL A 9 0.001 8.299 1.154 1.00 0.00 O ATOM 138 CB VAL A 9 0.251 6.889 -1.775 1.00 0.00 C ATOM 139 CG1 VAL A 9 -0.596 5.929 -0.956 1.00 0.00 C ATOM 140 CG2 VAL A 9 -0.139 6.822 -3.241 1.00 0.00 C ATOM 0 H VAL A 9 1.350 8.843 -2.859 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.929 8.605 -1.202 1.00 0.00 H new ATOM 0 HB VAL A 9 1.294 6.586 -1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.488 4.919 -1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.266 5.948 0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.642 6.230 -1.010 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.044 5.796 -3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.171 7.153 -3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.518 7.469 -3.822 1.00 0.00 H new ATOM 150 N GLU A 10 2.032 8.645 0.237 1.00 0.00 N ATOM 151 CA GLU A 10 2.727 8.681 1.521 1.00 0.00 C ATOM 152 C GLU A 10 2.175 9.794 2.407 1.00 0.00 C ATOM 153 O GLU A 10 1.976 9.604 3.606 1.00 0.00 O ATOM 154 CB GLU A 10 4.241 8.865 1.328 1.00 0.00 C ATOM 155 CG GLU A 10 4.632 10.179 0.667 1.00 0.00 C ATOM 156 CD GLU A 10 6.120 10.457 0.736 1.00 0.00 C ATOM 157 OE1 GLU A 10 6.592 10.943 1.787 1.00 0.00 O ATOM 158 OE2 GLU A 10 6.825 10.204 -0.260 1.00 0.00 O ATOM 0 H GLU A 10 2.631 8.808 -0.572 1.00 0.00 H new ATOM 0 HA GLU A 10 2.556 7.724 2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.730 8.801 2.300 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.622 8.041 0.725 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.319 10.161 -0.377 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.093 10.995 1.147 1.00 0.00 H new ATOM 165 N GLN A 11 1.908 10.945 1.807 1.00 0.00 N ATOM 166 CA GLN A 11 1.447 12.097 2.560 1.00 0.00 C ATOM 167 C GLN A 11 -0.027 11.952 2.916 1.00 0.00 C ATOM 168 O GLN A 11 -0.440 12.290 4.026 1.00 0.00 O ATOM 169 CB GLN A 11 1.678 13.385 1.769 1.00 0.00 C ATOM 170 CG GLN A 11 1.480 14.642 2.600 1.00 0.00 C ATOM 171 CD GLN A 11 1.657 15.915 1.799 1.00 0.00 C ATOM 172 OE1 GLN A 11 2.396 15.950 0.817 1.00 0.00 O ATOM 173 NE2 GLN A 11 0.985 16.974 2.220 1.00 0.00 N ATOM 0 H GLN A 11 2.003 11.104 0.804 1.00 0.00 H new ATOM 0 HA GLN A 11 2.022 12.151 3.485 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.691 13.379 1.366 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.997 13.408 0.918 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.481 14.629 3.036 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.189 14.639 3.428 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.382 16.903 3.040 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.070 17.862 1.725 1.00 0.00 H new ATOM 182 N TRP A 12 -0.817 11.436 1.978 1.00 0.00 N ATOM 183 CA TRP A 12 -2.244 11.261 2.209 1.00 0.00 C ATOM 184 C TRP A 12 -2.480 10.272 3.344 1.00 0.00 C ATOM 185 O TRP A 12 -3.186 10.578 4.305 1.00 0.00 O ATOM 186 CB TRP A 12 -2.955 10.783 0.939 1.00 0.00 C ATOM 187 CG TRP A 12 -4.442 10.679 1.102 1.00 0.00 C ATOM 188 CD1 TRP A 12 -5.335 11.710 1.107 1.00 0.00 C ATOM 189 CD2 TRP A 12 -5.209 9.482 1.285 1.00 0.00 C ATOM 190 NE1 TRP A 12 -6.610 11.231 1.287 1.00 0.00 N ATOM 191 CE2 TRP A 12 -6.559 9.865 1.396 1.00 0.00 C ATOM 192 CE3 TRP A 12 -4.885 8.124 1.364 1.00 0.00 C ATOM 193 CZ2 TRP A 12 -7.584 8.937 1.587 1.00 0.00 C ATOM 194 CZ3 TRP A 12 -5.902 7.206 1.552 1.00 0.00 C ATOM 195 CH2 TRP A 12 -7.237 7.615 1.658 1.00 0.00 C ATOM 0 H TRP A 12 -0.495 11.135 1.058 1.00 0.00 H new ATOM 0 HA TRP A 12 -2.660 12.229 2.489 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.732 11.471 0.124 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.558 9.809 0.652 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.077 12.752 0.987 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.456 11.799 1.332 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.859 7.798 1.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -8.614 9.251 1.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -5.662 6.155 1.618 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -8.008 6.872 1.799 1.00 0.00 H new ATOM 206 N LEU A 13 -1.864 9.099 3.236 1.00 0.00 N ATOM 207 CA LEU A 13 -2.017 8.054 4.241 1.00 0.00 C ATOM 208 C LEU A 13 -1.615 8.548 5.623 1.00 0.00 C ATOM 209 O LEU A 13 -2.392 8.458 6.568 1.00 0.00 O ATOM 210 CB LEU A 13 -1.183 6.821 3.880 1.00 0.00 C ATOM 211 CG LEU A 13 -1.698 6.001 2.697 1.00 0.00 C ATOM 212 CD1 LEU A 13 -0.728 4.876 2.373 1.00 0.00 C ATOM 213 CD2 LEU A 13 -3.078 5.433 2.997 1.00 0.00 C ATOM 0 H LEU A 13 -1.252 8.848 2.459 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.072 7.781 4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.165 7.144 3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.130 6.172 4.754 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.776 6.659 1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.107 4.300 1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.245 5.296 2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.625 4.223 3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.426 4.853 2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.023 4.789 3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.774 6.250 3.189 1.00 0.00 H new ATOM 225 N ASN A 14 -0.411 9.088 5.733 1.00 0.00 N ATOM 226 CA ASN A 14 0.126 9.493 7.026 1.00 0.00 C ATOM 227 C ASN A 14 -0.750 10.556 7.692 1.00 0.00 C ATOM 228 O ASN A 14 -0.964 10.526 8.905 1.00 0.00 O ATOM 229 CB ASN A 14 1.561 9.999 6.865 1.00 0.00 C ATOM 230 CG ASN A 14 2.227 10.296 8.194 1.00 0.00 C ATOM 231 OD1 ASN A 14 2.807 9.408 8.823 1.00 0.00 O ATOM 232 ND2 ASN A 14 2.171 11.548 8.620 1.00 0.00 N ATOM 0 H ASN A 14 0.213 9.256 4.944 1.00 0.00 H new ATOM 0 HA ASN A 14 0.130 8.619 7.677 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.147 9.253 6.328 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.558 10.902 6.255 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.618 11.808 9.499 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.681 12.253 8.069 1.00 0.00 H new ATOM 239 N ARG A 15 -1.275 11.482 6.898 1.00 0.00 N ATOM 240 CA ARG A 15 -2.135 12.531 7.433 1.00 0.00 C ATOM 241 C ARG A 15 -3.496 11.954 7.811 1.00 0.00 C ATOM 242 O ARG A 15 -3.953 12.092 8.950 1.00 0.00 O ATOM 243 CB ARG A 15 -2.329 13.656 6.412 1.00 0.00 C ATOM 244 CG ARG A 15 -2.903 14.922 7.025 1.00 0.00 C ATOM 245 CD ARG A 15 -3.855 15.640 6.078 1.00 0.00 C ATOM 246 NE ARG A 15 -3.231 16.030 4.809 1.00 0.00 N ATOM 247 CZ ARG A 15 -3.556 17.138 4.135 1.00 0.00 C ATOM 248 NH1 ARG A 15 -4.402 18.013 4.666 1.00 0.00 N ATOM 249 NH2 ARG A 15 -3.021 17.380 2.944 1.00 0.00 N ATOM 0 H ARG A 15 -1.122 11.528 5.891 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.651 12.941 8.320 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.370 13.886 5.947 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.992 13.310 5.620 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.430 14.671 7.946 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.089 15.594 7.297 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.707 14.992 5.871 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.244 16.531 6.572 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.510 15.423 4.420 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.803 17.840 5.588 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.650 18.859 4.152 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.358 16.719 2.539 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.273 18.227 2.434 1.00 0.00 H new ATOM 263 N TRP A 16 -4.120 11.281 6.852 1.00 0.00 N ATOM 264 CA TRP A 16 -5.471 10.771 7.016 1.00 0.00 C ATOM 265 C TRP A 16 -5.539 9.791 8.183 1.00 0.00 C ATOM 266 O TRP A 16 -6.430 9.887 9.025 1.00 0.00 O ATOM 267 CB TRP A 16 -5.934 10.097 5.720 1.00 0.00 C ATOM 268 CG TRP A 16 -7.404 10.242 5.452 1.00 0.00 C ATOM 269 CD1 TRP A 16 -8.337 9.246 5.409 1.00 0.00 C ATOM 270 CD2 TRP A 16 -8.107 11.461 5.178 1.00 0.00 C ATOM 271 NE1 TRP A 16 -9.575 9.771 5.128 1.00 0.00 N ATOM 272 CE2 TRP A 16 -9.461 11.128 4.984 1.00 0.00 C ATOM 273 CE3 TRP A 16 -7.723 12.802 5.082 1.00 0.00 C ATOM 274 CZ2 TRP A 16 -10.430 12.088 4.696 1.00 0.00 C ATOM 275 CZ3 TRP A 16 -8.683 13.751 4.797 1.00 0.00 C ATOM 276 CH2 TRP A 16 -10.024 13.391 4.610 1.00 0.00 C ATOM 0 H TRP A 16 -3.704 11.075 5.944 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.136 11.606 7.237 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -5.378 10.520 4.883 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.685 9.037 5.764 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.132 8.198 5.572 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -10.439 9.236 5.041 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -6.692 13.090 5.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -11.464 11.813 4.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -8.396 14.789 4.717 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -10.752 14.159 4.393 1.00 0.00 H new ATOM 541 N SER A 32 0.983 -1.107 14.297 1.00 0.00 N ATOM 542 CA SER A 32 1.549 -1.954 13.257 1.00 0.00 C ATOM 543 C SER A 32 1.144 -1.472 11.868 1.00 0.00 C ATOM 544 O SER A 32 1.926 -1.575 10.922 1.00 0.00 O ATOM 545 CB SER A 32 1.103 -3.399 13.471 1.00 0.00 C ATOM 546 OG SER A 32 1.371 -3.815 14.800 1.00 0.00 O ATOM 0 HA SER A 32 2.636 -1.899 13.322 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.037 -3.490 13.264 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.621 -4.052 12.769 1.00 0.00 H new ATOM 0 HG SER A 32 1.320 -3.043 15.401 1.00 0.00 H new ATOM 552 N TYR A 33 -0.068 -0.932 11.757 1.00 0.00 N ATOM 553 CA TYR A 33 -0.553 -0.387 10.492 1.00 0.00 C ATOM 554 C TYR A 33 0.380 0.708 9.984 1.00 0.00 C ATOM 555 O TYR A 33 0.811 0.678 8.835 1.00 0.00 O ATOM 556 CB TYR A 33 -1.971 0.171 10.650 1.00 0.00 C ATOM 557 CG TYR A 33 -3.047 -0.882 10.807 1.00 0.00 C ATOM 558 CD1 TYR A 33 -3.671 -1.421 9.691 1.00 0.00 C ATOM 559 CD2 TYR A 33 -3.451 -1.325 12.062 1.00 0.00 C ATOM 560 CE1 TYR A 33 -4.663 -2.372 9.814 1.00 0.00 C ATOM 561 CE2 TYR A 33 -4.447 -2.278 12.196 1.00 0.00 C ATOM 562 CZ TYR A 33 -5.050 -2.797 11.066 1.00 0.00 C ATOM 563 OH TYR A 33 -6.040 -3.744 11.186 1.00 0.00 O ATOM 0 H TYR A 33 -0.732 -0.860 12.528 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.574 -1.198 9.764 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.994 0.828 11.519 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.205 0.785 9.780 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.374 -1.090 8.707 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.981 -0.920 12.946 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.134 -2.781 8.933 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -4.750 -2.613 13.177 1.00 0.00 H new ATOM 0 HH TYR A 33 -6.195 -3.937 12.134 1.00 0.00 H new ATOM 573 N GLU A 34 0.705 1.655 10.860 1.00 0.00 N ATOM 574 CA GLU A 34 1.599 2.751 10.510 1.00 0.00 C ATOM 575 C GLU A 34 2.984 2.213 10.167 1.00 0.00 C ATOM 576 O GLU A 34 3.580 2.587 9.154 1.00 0.00 O ATOM 577 CB GLU A 34 1.707 3.740 11.676 1.00 0.00 C ATOM 578 CG GLU A 34 2.746 4.829 11.455 1.00 0.00 C ATOM 579 CD GLU A 34 3.026 5.632 12.706 1.00 0.00 C ATOM 580 OE1 GLU A 34 3.711 5.108 13.612 1.00 0.00 O ATOM 581 OE2 GLU A 34 2.573 6.792 12.788 1.00 0.00 O ATOM 0 H GLU A 34 0.361 1.684 11.820 1.00 0.00 H new ATOM 0 HA GLU A 34 1.190 3.266 9.641 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.735 4.205 11.839 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.955 3.192 12.585 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.673 4.375 11.105 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.402 5.499 10.667 1.00 0.00 H new ATOM 588 N THR A 35 3.472 1.316 11.016 1.00 0.00 N ATOM 589 CA THR A 35 4.812 0.767 10.882 1.00 0.00 C ATOM 590 C THR A 35 5.015 0.088 9.527 1.00 0.00 C ATOM 591 O THR A 35 5.853 0.518 8.731 1.00 0.00 O ATOM 592 CB THR A 35 5.100 -0.253 12.002 1.00 0.00 C ATOM 593 OG1 THR A 35 4.685 0.272 13.272 1.00 0.00 O ATOM 594 CG2 THR A 35 6.578 -0.597 12.054 1.00 0.00 C ATOM 0 H THR A 35 2.951 0.951 11.813 1.00 0.00 H new ATOM 0 HA THR A 35 5.505 1.605 10.960 1.00 0.00 H new ATOM 0 HB THR A 35 4.536 -1.160 11.784 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.871 -0.385 13.974 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.756 -1.318 12.852 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.885 -1.027 11.101 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.155 0.307 12.247 1.00 0.00 H new ATOM 602 N VAL A 36 4.232 -0.955 9.255 1.00 0.00 N ATOM 603 CA VAL A 36 4.414 -1.751 8.046 1.00 0.00 C ATOM 604 C VAL A 36 4.176 -0.920 6.789 1.00 0.00 C ATOM 605 O VAL A 36 4.840 -1.124 5.769 1.00 0.00 O ATOM 606 CB VAL A 36 3.496 -2.998 8.023 1.00 0.00 C ATOM 607 CG1 VAL A 36 3.793 -3.905 9.212 1.00 0.00 C ATOM 608 CG2 VAL A 36 2.021 -2.610 7.998 1.00 0.00 C ATOM 0 H VAL A 36 3.468 -1.267 9.855 1.00 0.00 H new ATOM 0 HA VAL A 36 5.450 -2.089 8.058 1.00 0.00 H new ATOM 0 HB VAL A 36 3.708 -3.546 7.105 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.138 -4.776 9.178 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.832 -4.231 9.170 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.621 -3.358 10.139 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.408 -3.511 7.982 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.784 -2.025 8.887 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.816 -2.016 7.107 1.00 0.00 H new ATOM 618 N LEU A 37 3.253 0.027 6.889 1.00 0.00 N ATOM 619 CA LEU A 37 2.893 0.884 5.773 1.00 0.00 C ATOM 620 C LEU A 37 4.086 1.718 5.333 1.00 0.00 C ATOM 621 O LEU A 37 4.647 1.493 4.261 1.00 0.00 O ATOM 622 CB LEU A 37 1.741 1.802 6.185 1.00 0.00 C ATOM 623 CG LEU A 37 1.069 2.568 5.049 1.00 0.00 C ATOM 624 CD1 LEU A 37 0.250 1.624 4.180 1.00 0.00 C ATOM 625 CD2 LEU A 37 0.197 3.680 5.609 1.00 0.00 C ATOM 0 H LEU A 37 2.735 0.221 7.746 1.00 0.00 H new ATOM 0 HA LEU A 37 2.581 0.259 4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.985 1.202 6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.116 2.522 6.912 1.00 0.00 H new ATOM 0 HG LEU A 37 1.842 3.017 4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.222 2.188 3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.903 0.862 3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.519 1.145 4.787 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.277 4.219 4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.571 3.251 6.253 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.813 4.369 6.188 1.00 0.00 H new ATOM 637 N ARG A 38 4.504 2.652 6.178 1.00 0.00 N ATOM 638 CA ARG A 38 5.543 3.594 5.794 1.00 0.00 C ATOM 639 C ARG A 38 6.865 2.883 5.516 1.00 0.00 C ATOM 640 O ARG A 38 7.523 3.176 4.521 1.00 0.00 O ATOM 641 CB ARG A 38 5.706 4.711 6.839 1.00 0.00 C ATOM 642 CG ARG A 38 6.143 4.262 8.223 1.00 0.00 C ATOM 643 CD ARG A 38 6.215 5.459 9.163 1.00 0.00 C ATOM 644 NE ARG A 38 6.679 5.109 10.504 1.00 0.00 N ATOM 645 CZ ARG A 38 6.994 6.013 11.437 1.00 0.00 C ATOM 646 NH1 ARG A 38 6.860 7.314 11.191 1.00 0.00 N ATOM 647 NH2 ARG A 38 7.429 5.612 12.625 1.00 0.00 N ATOM 0 H ARG A 38 4.143 2.776 7.124 1.00 0.00 H new ATOM 0 HA ARG A 38 5.229 4.067 4.864 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.434 5.430 6.464 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.756 5.238 6.931 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.441 3.525 8.613 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.117 3.776 8.166 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.884 6.207 8.738 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.228 5.917 9.235 1.00 0.00 H new ATOM 0 HE ARG A 38 6.767 4.121 10.741 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.514 7.629 10.284 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.103 7.996 11.909 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.522 4.616 12.824 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.670 6.300 13.339 1.00 0.00 H new ATOM 661 N LEU A 39 7.206 1.910 6.356 1.00 0.00 N ATOM 662 CA LEU A 39 8.472 1.190 6.239 1.00 0.00 C ATOM 663 C LEU A 39 8.593 0.472 4.894 1.00 0.00 C ATOM 664 O LEU A 39 9.672 0.427 4.299 1.00 0.00 O ATOM 665 CB LEU A 39 8.598 0.172 7.378 1.00 0.00 C ATOM 666 CG LEU A 39 9.898 -0.631 7.408 1.00 0.00 C ATOM 667 CD1 LEU A 39 11.077 0.264 7.761 1.00 0.00 C ATOM 668 CD2 LEU A 39 9.787 -1.785 8.393 1.00 0.00 C ATOM 0 H LEU A 39 6.619 1.600 7.131 1.00 0.00 H new ATOM 0 HA LEU A 39 9.277 1.922 6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.497 0.701 8.326 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.763 -0.525 7.311 1.00 0.00 H new ATOM 0 HG LEU A 39 10.070 -1.042 6.413 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.992 -0.329 7.777 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.169 1.055 7.016 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.915 0.708 8.743 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.721 -2.347 8.402 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.589 -1.394 9.391 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.971 -2.443 8.093 1.00 0.00 H new ATOM 680 N HIS A 40 7.487 -0.090 4.415 1.00 0.00 N ATOM 681 CA HIS A 40 7.523 -0.908 3.205 1.00 0.00 C ATOM 682 C HIS A 40 7.046 -0.157 1.967 1.00 0.00 C ATOM 683 O HIS A 40 7.765 -0.069 0.971 1.00 0.00 O ATOM 684 CB HIS A 40 6.688 -2.178 3.387 1.00 0.00 C ATOM 685 CG HIS A 40 7.335 -3.199 4.261 1.00 0.00 C ATOM 686 ND1 HIS A 40 7.055 -3.332 5.601 1.00 0.00 N ATOM 687 CD2 HIS A 40 8.255 -4.148 3.973 1.00 0.00 C ATOM 688 CE1 HIS A 40 7.777 -4.317 6.101 1.00 0.00 C ATOM 689 NE2 HIS A 40 8.511 -4.828 5.133 1.00 0.00 N ATOM 0 H HIS A 40 6.564 0.004 4.840 1.00 0.00 H new ATOM 0 HA HIS A 40 8.568 -1.172 3.045 1.00 0.00 H new ATOM 0 HB2 HIS A 40 5.721 -1.909 3.812 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.495 -2.619 2.409 1.00 0.00 H new ATOM 0 HD1 HIS A 40 6.394 -2.760 6.126 1.00 0.00 H new ATOM 0 HD2 HIS A 40 8.704 -4.334 3.008 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.768 -4.648 7.129 1.00 0.00 H new ATOM 698 N VAL A 41 5.839 0.384 2.025 1.00 0.00 N ATOM 699 CA VAL A 41 5.175 0.851 0.816 1.00 0.00 C ATOM 700 C VAL A 41 5.287 2.359 0.606 1.00 0.00 C ATOM 701 O VAL A 41 4.965 2.850 -0.471 1.00 0.00 O ATOM 702 CB VAL A 41 3.684 0.438 0.788 1.00 0.00 C ATOM 703 CG1 VAL A 41 3.535 -1.069 0.941 1.00 0.00 C ATOM 704 CG2 VAL A 41 2.884 1.174 1.851 1.00 0.00 C ATOM 0 H VAL A 41 5.304 0.510 2.884 1.00 0.00 H new ATOM 0 HA VAL A 41 5.703 0.364 -0.004 1.00 0.00 H new ATOM 0 HB VAL A 41 3.281 0.722 -0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.478 -1.334 0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.053 -1.571 0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.967 -1.383 1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.841 0.860 1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.288 0.942 2.836 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.948 2.248 1.676 1.00 0.00 H new ATOM 714 N ILE A 42 5.755 3.104 1.602 1.00 0.00 N ATOM 715 CA ILE A 42 5.843 4.555 1.451 1.00 0.00 C ATOM 716 C ILE A 42 6.982 4.970 0.502 1.00 0.00 C ATOM 717 O ILE A 42 6.753 5.760 -0.416 1.00 0.00 O ATOM 718 CB ILE A 42 5.934 5.281 2.824 1.00 0.00 C ATOM 719 CG1 ILE A 42 4.549 5.797 3.246 1.00 0.00 C ATOM 720 CG2 ILE A 42 6.925 6.436 2.793 1.00 0.00 C ATOM 721 CD1 ILE A 42 3.458 4.748 3.226 1.00 0.00 C ATOM 0 H ILE A 42 6.072 2.741 2.501 1.00 0.00 H new ATOM 0 HA ILE A 42 4.912 4.879 0.985 1.00 0.00 H new ATOM 0 HB ILE A 42 6.292 4.553 3.552 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.620 6.211 4.252 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.262 6.615 2.585 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.957 6.915 3.772 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.916 6.058 2.541 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.613 7.163 2.044 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.515 5.198 3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.355 4.350 2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.718 3.940 3.910 1.00 0.00 H new ATOM 733 N PRO A 43 8.215 4.437 0.665 1.00 0.00 N ATOM 734 CA PRO A 43 9.332 4.789 -0.219 1.00 0.00 C ATOM 735 C PRO A 43 9.194 4.184 -1.616 1.00 0.00 C ATOM 736 O PRO A 43 9.948 4.527 -2.531 1.00 0.00 O ATOM 737 CB PRO A 43 10.550 4.196 0.490 1.00 0.00 C ATOM 738 CG PRO A 43 10.009 3.066 1.292 1.00 0.00 C ATOM 739 CD PRO A 43 8.632 3.488 1.718 1.00 0.00 C ATOM 0 HA PRO A 43 9.390 5.866 -0.379 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.296 3.851 -0.226 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.037 4.935 1.126 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.972 2.150 0.702 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.641 2.863 2.157 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.954 2.637 1.781 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.644 3.960 2.700 1.00 0.00 H new ATOM 747 N THR A 44 8.237 3.279 -1.772 1.00 0.00 N ATOM 748 CA THR A 44 8.039 2.580 -3.031 1.00 0.00 C ATOM 749 C THR A 44 6.788 3.068 -3.763 1.00 0.00 C ATOM 750 O THR A 44 6.877 3.717 -4.806 1.00 0.00 O ATOM 751 CB THR A 44 7.934 1.063 -2.783 1.00 0.00 C ATOM 752 OG1 THR A 44 7.054 0.815 -1.676 1.00 0.00 O ATOM 753 CG2 THR A 44 9.300 0.463 -2.489 1.00 0.00 C ATOM 0 H THR A 44 7.583 3.012 -1.036 1.00 0.00 H new ATOM 0 HA THR A 44 8.902 2.792 -3.662 1.00 0.00 H new ATOM 0 HB THR A 44 7.538 0.595 -3.684 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.576 0.507 -0.906 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.198 -0.609 -2.318 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.962 0.633 -3.338 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.721 0.934 -1.600 1.00 0.00 H new ATOM 761 N LEU A 45 5.625 2.783 -3.193 1.00 0.00 N ATOM 762 CA LEU A 45 4.357 3.098 -3.836 1.00 0.00 C ATOM 763 C LEU A 45 3.825 4.443 -3.363 1.00 0.00 C ATOM 764 O LEU A 45 3.068 5.106 -4.068 1.00 0.00 O ATOM 765 CB LEU A 45 3.331 2.003 -3.534 1.00 0.00 C ATOM 766 CG LEU A 45 3.788 0.577 -3.850 1.00 0.00 C ATOM 767 CD1 LEU A 45 2.684 -0.418 -3.530 1.00 0.00 C ATOM 768 CD2 LEU A 45 4.206 0.459 -5.307 1.00 0.00 C ATOM 0 H LEU A 45 5.534 2.332 -2.283 1.00 0.00 H new ATOM 0 HA LEU A 45 4.526 3.152 -4.911 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.066 2.057 -2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.424 2.211 -4.101 1.00 0.00 H new ATOM 0 HG LEU A 45 4.652 0.347 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.026 -1.427 -3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.431 -0.353 -2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.802 -0.188 -4.128 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.528 -0.562 -5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.362 0.709 -5.949 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.029 1.145 -5.506 1.00 0.00 H new ATOM 780 N GLY A 46 4.238 4.845 -2.167 1.00 0.00 N ATOM 781 CA GLY A 46 3.772 6.091 -1.587 1.00 0.00 C ATOM 782 C GLY A 46 4.207 7.307 -2.378 1.00 0.00 C ATOM 783 O GLY A 46 3.580 8.359 -2.294 1.00 0.00 O ATOM 0 H GLY A 46 4.893 4.325 -1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.684 6.073 -1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.147 6.174 -0.567 1.00 0.00 H new ATOM 787 N SER A 47 5.271 7.161 -3.154 1.00 0.00 N ATOM 788 CA SER A 47 5.787 8.257 -3.963 1.00 0.00 C ATOM 789 C SER A 47 5.142 8.255 -5.349 1.00 0.00 C ATOM 790 O SER A 47 5.490 9.067 -6.212 1.00 0.00 O ATOM 791 CB SER A 47 7.310 8.146 -4.081 1.00 0.00 C ATOM 792 OG SER A 47 7.854 9.209 -4.851 1.00 0.00 O ATOM 0 H SER A 47 5.796 6.291 -3.241 1.00 0.00 H new ATOM 0 HA SER A 47 5.538 9.199 -3.475 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.754 8.153 -3.086 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.571 7.193 -4.540 1.00 0.00 H new ATOM 0 HG SER A 47 7.188 9.517 -5.500 1.00 0.00 H new ATOM 798 N ILE A 48 4.205 7.345 -5.552 1.00 0.00 N ATOM 799 CA ILE A 48 3.518 7.223 -6.828 1.00 0.00 C ATOM 800 C ILE A 48 2.138 7.867 -6.750 1.00 0.00 C ATOM 801 O ILE A 48 1.378 7.597 -5.822 1.00 0.00 O ATOM 802 CB ILE A 48 3.374 5.741 -7.246 1.00 0.00 C ATOM 803 CG1 ILE A 48 4.751 5.079 -7.314 1.00 0.00 C ATOM 804 CG2 ILE A 48 2.658 5.620 -8.586 1.00 0.00 C ATOM 805 CD1 ILE A 48 4.700 3.608 -7.665 1.00 0.00 C ATOM 0 H ILE A 48 3.901 6.676 -4.845 1.00 0.00 H new ATOM 0 HA ILE A 48 4.117 7.738 -7.578 1.00 0.00 H new ATOM 0 HB ILE A 48 2.772 5.229 -6.495 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.359 5.600 -8.054 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.249 5.197 -6.352 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.569 4.568 -8.858 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.664 6.060 -8.508 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.228 6.146 -9.352 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.713 3.206 -7.695 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.120 3.074 -6.912 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.231 3.483 -8.641 1.00 0.00 H new ATOM 817 N PRO A 49 1.815 8.759 -7.701 1.00 0.00 N ATOM 818 CA PRO A 49 0.492 9.391 -7.784 1.00 0.00 C ATOM 819 C PRO A 49 -0.638 8.364 -7.878 1.00 0.00 C ATOM 820 O PRO A 49 -0.493 7.321 -8.522 1.00 0.00 O ATOM 821 CB PRO A 49 0.570 10.220 -9.070 1.00 0.00 C ATOM 822 CG PRO A 49 2.024 10.459 -9.284 1.00 0.00 C ATOM 823 CD PRO A 49 2.722 9.239 -8.758 1.00 0.00 C ATOM 0 HA PRO A 49 0.268 9.981 -6.895 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.129 9.686 -9.912 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.026 11.159 -8.968 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.244 10.610 -10.341 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.354 11.355 -8.759 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.864 8.490 -9.537 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.709 9.479 -8.363 1.00 0.00 H new ATOM 831 N LEU A 50 -1.764 8.672 -7.242 1.00 0.00 N ATOM 832 CA LEU A 50 -2.913 7.767 -7.204 1.00 0.00 C ATOM 833 C LEU A 50 -3.403 7.415 -8.606 1.00 0.00 C ATOM 834 O LEU A 50 -3.867 6.304 -8.850 1.00 0.00 O ATOM 835 CB LEU A 50 -4.056 8.398 -6.403 1.00 0.00 C ATOM 836 CG LEU A 50 -3.788 8.577 -4.908 1.00 0.00 C ATOM 837 CD1 LEU A 50 -4.918 9.359 -4.255 1.00 0.00 C ATOM 838 CD2 LEU A 50 -3.626 7.224 -4.233 1.00 0.00 C ATOM 0 H LEU A 50 -1.908 9.549 -6.741 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.589 6.846 -6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.284 9.373 -6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.946 7.781 -6.524 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.862 9.139 -4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.711 9.477 -3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.997 10.341 -4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.856 8.819 -4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.436 7.368 -3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.538 6.641 -4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.788 6.691 -4.682 1.00 0.00 H new ATOM 850 N LYS A 51 -3.288 8.360 -9.531 1.00 0.00 N ATOM 851 CA LYS A 51 -3.771 8.152 -10.892 1.00 0.00 C ATOM 852 C LYS A 51 -2.696 7.501 -11.767 1.00 0.00 C ATOM 853 O LYS A 51 -2.884 7.326 -12.973 1.00 0.00 O ATOM 854 CB LYS A 51 -4.226 9.479 -11.515 1.00 0.00 C ATOM 855 CG LYS A 51 -5.560 10.002 -10.983 1.00 0.00 C ATOM 856 CD LYS A 51 -5.510 10.325 -9.495 1.00 0.00 C ATOM 857 CE LYS A 51 -6.849 10.837 -8.979 1.00 0.00 C ATOM 858 NZ LYS A 51 -7.147 12.217 -9.446 1.00 0.00 N ATOM 0 H LYS A 51 -2.867 9.274 -9.366 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.625 7.477 -10.840 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.458 10.232 -11.338 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.304 9.351 -12.595 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.842 10.898 -11.536 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.336 9.258 -11.164 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.224 9.432 -8.939 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.740 11.074 -9.312 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.642 10.166 -9.308 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.847 10.818 -7.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.060 12.526 -9.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.397 12.862 -9.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.194 12.229 -10.485 1.00 0.00 H new ATOM 872 N LYS A 52 -1.579 7.135 -11.152 1.00 0.00 N ATOM 873 CA LYS A 52 -0.483 6.487 -11.864 1.00 0.00 C ATOM 874 C LYS A 52 -0.274 5.059 -11.359 1.00 0.00 C ATOM 875 O LYS A 52 0.137 4.180 -12.118 1.00 0.00 O ATOM 876 CB LYS A 52 0.811 7.288 -11.683 1.00 0.00 C ATOM 877 CG LYS A 52 2.029 6.653 -12.344 1.00 0.00 C ATOM 878 CD LYS A 52 3.309 7.392 -11.990 1.00 0.00 C ATOM 879 CE LYS A 52 4.525 6.733 -12.623 1.00 0.00 C ATOM 880 NZ LYS A 52 5.790 7.423 -12.257 1.00 0.00 N ATOM 0 H LYS A 52 -1.407 7.276 -10.157 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.743 6.450 -12.922 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.668 8.288 -12.092 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.008 7.405 -10.617 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.111 5.612 -12.032 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.897 6.652 -13.426 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.238 8.427 -12.326 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.429 7.416 -10.907 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.577 5.691 -12.308 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.413 6.733 -13.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.592 6.941 -12.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.753 8.411 -12.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.911 7.401 -11.224 1.00 0.00 H new ATOM 894 N LEU A 53 -0.574 4.852 -10.076 1.00 0.00 N ATOM 895 CA LEU A 53 -0.343 3.578 -9.391 1.00 0.00 C ATOM 896 C LEU A 53 -0.894 2.401 -10.196 1.00 0.00 C ATOM 897 O LEU A 53 -2.092 2.328 -10.480 1.00 0.00 O ATOM 898 CB LEU A 53 -0.981 3.637 -7.990 1.00 0.00 C ATOM 899 CG LEU A 53 -0.624 2.505 -7.010 1.00 0.00 C ATOM 900 CD1 LEU A 53 -1.415 1.241 -7.305 1.00 0.00 C ATOM 901 CD2 LEU A 53 0.870 2.218 -7.047 1.00 0.00 C ATOM 0 H LEU A 53 -0.987 5.568 -9.478 1.00 0.00 H new ATOM 0 HA LEU A 53 0.731 3.419 -9.293 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.700 4.584 -7.530 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.064 3.650 -8.112 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.893 2.839 -6.008 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.137 0.463 -6.594 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.481 1.450 -7.216 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.195 0.902 -8.317 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.104 1.415 -6.348 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.158 1.917 -8.054 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.420 3.116 -6.765 1.00 0.00 H new ATOM 913 N GLN A 54 -0.004 1.486 -10.564 1.00 0.00 N ATOM 914 CA GLN A 54 -0.373 0.310 -11.340 1.00 0.00 C ATOM 915 C GLN A 54 -0.524 -0.899 -10.426 1.00 0.00 C ATOM 916 O GLN A 54 0.061 -0.944 -9.342 1.00 0.00 O ATOM 917 CB GLN A 54 0.711 -0.003 -12.373 1.00 0.00 C ATOM 918 CG GLN A 54 1.238 1.211 -13.108 1.00 0.00 C ATOM 919 CD GLN A 54 2.455 0.889 -13.947 1.00 0.00 C ATOM 920 OE1 GLN A 54 2.591 -0.215 -14.473 1.00 0.00 O ATOM 921 NE2 GLN A 54 3.362 1.845 -14.057 1.00 0.00 N ATOM 0 H GLN A 54 0.988 1.539 -10.334 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.318 0.519 -11.841 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.542 -0.499 -11.872 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.310 -0.709 -13.101 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.454 1.614 -13.749 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.491 1.988 -12.387 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.210 2.747 -13.605 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.214 1.681 -14.594 1.00 0.00 H new ATOM 930 N PRO A 55 -1.298 -1.909 -10.851 1.00 0.00 N ATOM 931 CA PRO A 55 -1.359 -3.191 -10.147 1.00 0.00 C ATOM 932 C PRO A 55 0.005 -3.873 -10.155 1.00 0.00 C ATOM 933 O PRO A 55 0.354 -4.625 -9.244 1.00 0.00 O ATOM 934 CB PRO A 55 -2.374 -4.010 -10.953 1.00 0.00 C ATOM 935 CG PRO A 55 -3.132 -3.014 -11.765 1.00 0.00 C ATOM 936 CD PRO A 55 -2.185 -1.878 -12.026 1.00 0.00 C ATOM 0 HA PRO A 55 -1.643 -3.082 -9.100 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.873 -4.738 -11.591 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.040 -4.568 -10.295 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.477 -3.456 -12.700 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.017 -2.668 -11.230 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.631 -2.020 -12.954 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.710 -0.926 -12.110 1.00 0.00 H new ATOM 944 N ALA A 56 0.781 -3.573 -11.193 1.00 0.00 N ATOM 945 CA ALA A 56 2.121 -4.115 -11.344 1.00 0.00 C ATOM 946 C ALA A 56 3.047 -3.588 -10.257 1.00 0.00 C ATOM 947 O ALA A 56 3.909 -4.313 -9.767 1.00 0.00 O ATOM 948 CB ALA A 56 2.675 -3.780 -12.720 1.00 0.00 C ATOM 0 H ALA A 56 0.497 -2.949 -11.948 1.00 0.00 H new ATOM 0 HA ALA A 56 2.063 -5.199 -11.244 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.679 -4.192 -12.818 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.030 -4.209 -13.486 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.714 -2.698 -12.843 1.00 0.00 H new ATOM 954 N ASP A 57 2.858 -2.325 -9.878 1.00 0.00 N ATOM 955 CA ASP A 57 3.654 -1.720 -8.812 1.00 0.00 C ATOM 956 C ASP A 57 3.425 -2.458 -7.503 1.00 0.00 C ATOM 957 O ASP A 57 4.373 -2.791 -6.792 1.00 0.00 O ATOM 958 CB ASP A 57 3.305 -0.238 -8.630 1.00 0.00 C ATOM 959 CG ASP A 57 3.796 0.637 -9.764 1.00 0.00 C ATOM 960 OD1 ASP A 57 5.025 0.727 -9.965 1.00 0.00 O ATOM 961 OD2 ASP A 57 2.951 1.248 -10.452 1.00 0.00 O ATOM 0 H ASP A 57 2.163 -1.703 -10.292 1.00 0.00 H new ATOM 0 HA ASP A 57 4.703 -1.796 -9.097 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.223 -0.135 -8.543 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.736 0.117 -7.694 1.00 0.00 H new ATOM 966 N ILE A 58 2.161 -2.724 -7.202 1.00 0.00 N ATOM 967 CA ILE A 58 1.793 -3.440 -5.988 1.00 0.00 C ATOM 968 C ILE A 58 2.338 -4.867 -6.022 1.00 0.00 C ATOM 969 O ILE A 58 2.887 -5.359 -5.034 1.00 0.00 O ATOM 970 CB ILE A 58 0.261 -3.471 -5.804 1.00 0.00 C ATOM 971 CG1 ILE A 58 -0.297 -2.045 -5.775 1.00 0.00 C ATOM 972 CG2 ILE A 58 -0.114 -4.216 -4.531 1.00 0.00 C ATOM 973 CD1 ILE A 58 -1.802 -1.978 -5.637 1.00 0.00 C ATOM 0 H ILE A 58 1.369 -2.453 -7.785 1.00 0.00 H new ATOM 0 HA ILE A 58 2.233 -2.910 -5.143 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.178 -4.001 -6.649 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.158 -1.504 -4.946 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.003 -1.532 -6.690 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.198 -4.226 -4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.254 -5.240 -4.587 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.333 -3.716 -3.672 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.120 -0.936 -5.624 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.268 -2.489 -6.480 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.104 -2.461 -4.708 1.00 0.00 H new ATOM 985 N GLN A 59 2.202 -5.519 -7.174 1.00 0.00 N ATOM 986 CA GLN A 59 2.723 -6.868 -7.358 1.00 0.00 C ATOM 987 C GLN A 59 4.243 -6.880 -7.190 1.00 0.00 C ATOM 988 O GLN A 59 4.800 -7.780 -6.554 1.00 0.00 O ATOM 989 CB GLN A 59 2.333 -7.405 -8.741 1.00 0.00 C ATOM 990 CG GLN A 59 2.932 -8.765 -9.065 1.00 0.00 C ATOM 991 CD GLN A 59 2.499 -9.279 -10.424 1.00 0.00 C ATOM 992 OE1 GLN A 59 3.122 -8.981 -11.444 1.00 0.00 O ATOM 993 NE2 GLN A 59 1.442 -10.075 -10.449 1.00 0.00 N ATOM 0 H GLN A 59 1.734 -5.133 -7.994 1.00 0.00 H new ATOM 0 HA GLN A 59 2.286 -7.516 -6.598 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.247 -7.474 -8.800 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.649 -6.689 -9.500 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.019 -8.696 -9.035 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.637 -9.481 -8.298 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.952 -10.299 -9.583 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.118 -10.464 -11.334 1.00 0.00 H new ATOM 1002 N ARG A 60 4.903 -5.870 -7.746 1.00 0.00 N ATOM 1003 CA ARG A 60 6.352 -5.754 -7.647 1.00 0.00 C ATOM 1004 C ARG A 60 6.784 -5.532 -6.202 1.00 0.00 C ATOM 1005 O ARG A 60 7.833 -6.019 -5.782 1.00 0.00 O ATOM 1006 CB ARG A 60 6.874 -4.615 -8.526 1.00 0.00 C ATOM 1007 CG ARG A 60 8.371 -4.391 -8.391 1.00 0.00 C ATOM 1008 CD ARG A 60 8.880 -3.351 -9.370 1.00 0.00 C ATOM 1009 NE ARG A 60 10.305 -3.085 -9.185 1.00 0.00 N ATOM 1010 CZ ARG A 60 11.270 -3.621 -9.933 1.00 0.00 C ATOM 1011 NH1 ARG A 60 10.974 -4.508 -10.877 1.00 0.00 N ATOM 1012 NH2 ARG A 60 12.536 -3.296 -9.707 1.00 0.00 N ATOM 0 H ARG A 60 4.456 -5.119 -8.271 1.00 0.00 H new ATOM 0 HA ARG A 60 6.780 -6.692 -8.001 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.638 -4.832 -9.568 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.351 -3.695 -8.266 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.600 -4.074 -7.374 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.895 -5.332 -8.557 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.703 -3.694 -10.389 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.318 -2.426 -9.243 1.00 0.00 H new ATOM 0 HE ARG A 60 10.579 -2.449 -8.436 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.004 -4.782 -11.033 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.717 -4.914 -11.446 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.769 -2.638 -8.963 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.277 -3.704 -10.277 1.00 0.00 H new ATOM 1026 N LEU A 61 5.975 -4.793 -5.453 1.00 0.00 N ATOM 1027 CA LEU A 61 6.249 -4.542 -4.045 1.00 0.00 C ATOM 1028 C LEU A 61 6.372 -5.868 -3.299 1.00 0.00 C ATOM 1029 O LEU A 61 7.344 -6.098 -2.574 1.00 0.00 O ATOM 1030 CB LEU A 61 5.137 -3.667 -3.442 1.00 0.00 C ATOM 1031 CG LEU A 61 5.391 -3.100 -2.031 1.00 0.00 C ATOM 1032 CD1 LEU A 61 5.142 -4.145 -0.952 1.00 0.00 C ATOM 1033 CD2 LEU A 61 6.807 -2.551 -1.918 1.00 0.00 C ATOM 0 H LEU A 61 5.121 -4.356 -5.799 1.00 0.00 H new ATOM 0 HA LEU A 61 7.193 -4.005 -3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.958 -2.831 -4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.220 -4.255 -3.412 1.00 0.00 H new ATOM 0 HG LEU A 61 4.684 -2.285 -1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.331 -3.708 0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.107 -4.483 -1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.809 -4.993 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.965 -2.156 -0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.523 -3.350 -2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.948 -1.754 -2.648 1.00 0.00 H new ATOM 1045 N TYR A 62 5.401 -6.749 -3.508 1.00 0.00 N ATOM 1046 CA TYR A 62 5.413 -8.053 -2.861 1.00 0.00 C ATOM 1047 C TYR A 62 6.559 -8.909 -3.392 1.00 0.00 C ATOM 1048 O TYR A 62 7.278 -9.535 -2.621 1.00 0.00 O ATOM 1049 CB TYR A 62 4.083 -8.780 -3.071 1.00 0.00 C ATOM 1050 CG TYR A 62 2.891 -8.060 -2.480 1.00 0.00 C ATOM 1051 CD1 TYR A 62 2.845 -7.743 -1.128 1.00 0.00 C ATOM 1052 CD2 TYR A 62 1.815 -7.692 -3.275 1.00 0.00 C ATOM 1053 CE1 TYR A 62 1.761 -7.083 -0.587 1.00 0.00 C ATOM 1054 CE2 TYR A 62 0.727 -7.030 -2.739 1.00 0.00 C ATOM 1055 CZ TYR A 62 0.705 -6.728 -1.397 1.00 0.00 C ATOM 1056 OH TYR A 62 -0.377 -6.069 -0.858 1.00 0.00 O ATOM 0 H TYR A 62 4.600 -6.585 -4.117 1.00 0.00 H new ATOM 0 HA TYR A 62 5.558 -7.892 -1.793 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.919 -8.916 -4.140 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.150 -9.774 -2.630 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.672 -8.018 -0.490 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.828 -7.927 -4.329 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.741 -6.846 0.466 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.103 -6.751 -3.371 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.114 -5.643 -0.016 1.00 0.00 H new ATOM 1066 N ALA A 63 6.731 -8.914 -4.710 1.00 0.00 N ATOM 1067 CA ALA A 63 7.764 -9.724 -5.355 1.00 0.00 C ATOM 1068 C ALA A 63 9.165 -9.329 -4.892 1.00 0.00 C ATOM 1069 O ALA A 63 9.972 -10.183 -4.521 1.00 0.00 O ATOM 1070 CB ALA A 63 7.661 -9.595 -6.869 1.00 0.00 C ATOM 0 H ALA A 63 6.166 -8.364 -5.357 1.00 0.00 H new ATOM 0 HA ALA A 63 7.598 -10.762 -5.066 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.435 -10.202 -7.339 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.680 -9.939 -7.198 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.794 -8.552 -7.155 1.00 0.00 H new ATOM 1076 N SER A 64 9.442 -8.034 -4.902 1.00 0.00 N ATOM 1077 CA SER A 64 10.764 -7.533 -4.556 1.00 0.00 C ATOM 1078 C SER A 64 11.079 -7.778 -3.081 1.00 0.00 C ATOM 1079 O SER A 64 12.227 -8.027 -2.719 1.00 0.00 O ATOM 1080 CB SER A 64 10.864 -6.040 -4.890 1.00 0.00 C ATOM 1081 OG SER A 64 10.608 -5.810 -6.266 1.00 0.00 O ATOM 0 H SER A 64 8.767 -7.309 -5.147 1.00 0.00 H new ATOM 0 HA SER A 64 11.502 -8.076 -5.146 1.00 0.00 H new ATOM 0 HB2 SER A 64 10.151 -5.480 -4.285 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.858 -5.672 -4.635 1.00 0.00 H new ATOM 0 HG SER A 64 9.641 -5.827 -6.426 1.00 0.00 H new ATOM 1087 N LYS A 65 10.056 -7.726 -2.234 1.00 0.00 N ATOM 1088 CA LYS A 65 10.247 -7.962 -0.807 1.00 0.00 C ATOM 1089 C LYS A 65 10.272 -9.453 -0.497 1.00 0.00 C ATOM 1090 O LYS A 65 10.911 -9.887 0.462 1.00 0.00 O ATOM 1091 CB LYS A 65 9.170 -7.255 0.018 1.00 0.00 C ATOM 1092 CG LYS A 65 9.632 -5.926 0.590 1.00 0.00 C ATOM 1093 CD LYS A 65 10.022 -4.945 -0.502 1.00 0.00 C ATOM 1094 CE LYS A 65 10.880 -3.817 0.045 1.00 0.00 C ATOM 1095 NZ LYS A 65 12.198 -4.309 0.526 1.00 0.00 N ATOM 0 H LYS A 65 9.094 -7.524 -2.507 1.00 0.00 H new ATOM 0 HA LYS A 65 11.214 -7.543 -0.529 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.293 -7.089 -0.607 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.860 -7.907 0.835 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.836 -5.496 1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.483 -6.091 1.251 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.566 -5.470 -1.287 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.123 -4.531 -0.959 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.033 -3.068 -0.731 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.355 -3.325 0.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.883 -3.526 0.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.099 -4.678 1.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.536 -5.067 -0.101 1.00 0.00 H new ATOM 1109 N LEU A 66 9.591 -10.241 -1.316 1.00 0.00 N ATOM 1110 CA LEU A 66 9.630 -11.690 -1.182 1.00 0.00 C ATOM 1111 C LEU A 66 11.042 -12.187 -1.472 1.00 0.00 C ATOM 1112 O LEU A 66 11.516 -13.152 -0.868 1.00 0.00 O ATOM 1113 CB LEU A 66 8.625 -12.338 -2.136 1.00 0.00 C ATOM 1114 CG LEU A 66 8.396 -13.836 -1.933 1.00 0.00 C ATOM 1115 CD1 LEU A 66 7.884 -14.109 -0.530 1.00 0.00 C ATOM 1116 CD2 LEU A 66 7.414 -14.365 -2.964 1.00 0.00 C ATOM 0 H LEU A 66 9.005 -9.902 -2.079 1.00 0.00 H new ATOM 0 HA LEU A 66 9.358 -11.966 -0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.669 -11.825 -2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.965 -12.175 -3.159 1.00 0.00 H new ATOM 0 HG LEU A 66 9.348 -14.351 -2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.726 -15.180 -0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.616 -13.761 0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.942 -13.583 -0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.261 -15.433 -2.807 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.463 -13.843 -2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.813 -14.199 -3.965 1.00 0.00 H new ATOM 1128 N GLU A 67 11.715 -11.492 -2.387 1.00 0.00 N ATOM 1129 CA GLU A 67 13.112 -11.764 -2.712 1.00 0.00 C ATOM 1130 C GLU A 67 14.010 -11.531 -1.494 1.00 0.00 C ATOM 1131 O GLU A 67 15.084 -12.121 -1.374 1.00 0.00 O ATOM 1132 CB GLU A 67 13.553 -10.865 -3.875 1.00 0.00 C ATOM 1133 CG GLU A 67 15.014 -11.021 -4.271 1.00 0.00 C ATOM 1134 CD GLU A 67 15.327 -12.378 -4.870 1.00 0.00 C ATOM 1135 OE1 GLU A 67 15.476 -13.356 -4.107 1.00 0.00 O ATOM 1136 OE2 GLU A 67 15.440 -12.474 -6.110 1.00 0.00 O ATOM 0 H GLU A 67 11.307 -10.726 -2.923 1.00 0.00 H new ATOM 0 HA GLU A 67 13.206 -12.809 -3.006 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.929 -11.081 -4.742 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.372 -9.825 -3.603 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.274 -10.244 -4.990 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.641 -10.865 -3.393 1.00 0.00 H new ATOM 1143 N SER A 68 13.562 -10.681 -0.581 1.00 0.00 N ATOM 1144 CA SER A 68 14.338 -10.374 0.611 1.00 0.00 C ATOM 1145 C SER A 68 14.191 -11.486 1.646 1.00 0.00 C ATOM 1146 O SER A 68 14.971 -11.574 2.595 1.00 0.00 O ATOM 1147 CB SER A 68 13.898 -9.029 1.187 1.00 0.00 C ATOM 1148 OG SER A 68 14.020 -8.008 0.209 1.00 0.00 O ATOM 0 H SER A 68 12.668 -10.193 -0.643 1.00 0.00 H new ATOM 0 HA SER A 68 15.392 -10.306 0.340 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.865 -9.093 1.528 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.506 -8.782 2.057 1.00 0.00 H new ATOM 0 HG SER A 68 13.733 -7.153 0.592 1.00 0.00 H new ATOM 1154 N GLY A 69 13.197 -12.344 1.445 1.00 0.00 N ATOM 1155 CA GLY A 69 12.996 -13.470 2.333 1.00 0.00 C ATOM 1156 C GLY A 69 11.858 -13.247 3.305 1.00 0.00 C ATOM 1157 O GLY A 69 12.043 -13.328 4.518 1.00 0.00 O ATOM 0 H GLY A 69 12.526 -12.278 0.680 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.794 -14.363 1.742 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.914 -13.657 2.890 1.00 0.00 H new ATOM 1161 N LEU A 70 10.682 -12.949 2.777 1.00 0.00 N ATOM 1162 CA LEU A 70 9.511 -12.743 3.617 1.00 0.00 C ATOM 1163 C LEU A 70 8.631 -13.984 3.672 1.00 0.00 C ATOM 1164 O LEU A 70 8.365 -14.623 2.655 1.00 0.00 O ATOM 1165 CB LEU A 70 8.689 -11.548 3.131 1.00 0.00 C ATOM 1166 CG LEU A 70 9.295 -10.176 3.431 1.00 0.00 C ATOM 1167 CD1 LEU A 70 8.382 -9.072 2.927 1.00 0.00 C ATOM 1168 CD2 LEU A 70 9.543 -10.016 4.923 1.00 0.00 C ATOM 0 H LEU A 70 10.512 -12.845 1.777 1.00 0.00 H new ATOM 0 HA LEU A 70 9.876 -12.537 4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.549 -11.638 2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.700 -11.598 3.587 1.00 0.00 H new ATOM 0 HG LEU A 70 10.251 -10.102 2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.827 -8.102 3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.249 -9.173 1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.413 -9.147 3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.974 -9.034 5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.600 -10.111 5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.233 -10.789 5.262 1.00 0.00 H new ATOM 1180 N SER A 71 8.198 -14.317 4.875 1.00 0.00 N ATOM 1181 CA SER A 71 7.247 -15.393 5.089 1.00 0.00 C ATOM 1182 C SER A 71 5.884 -15.008 4.512 1.00 0.00 C ATOM 1183 O SER A 71 5.501 -13.835 4.553 1.00 0.00 O ATOM 1184 CB SER A 71 7.128 -15.681 6.591 1.00 0.00 C ATOM 1185 OG SER A 71 6.114 -16.633 6.863 1.00 0.00 O ATOM 0 H SER A 71 8.496 -13.849 5.731 1.00 0.00 H new ATOM 0 HA SER A 71 7.597 -16.292 4.582 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.083 -16.048 6.968 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.910 -14.755 7.123 1.00 0.00 H new ATOM 0 HG SER A 71 5.365 -16.193 7.317 1.00 0.00 H new ATOM 1191 N PRO A 72 5.141 -15.988 3.961 1.00 0.00 N ATOM 1192 CA PRO A 72 3.810 -15.767 3.383 1.00 0.00 C ATOM 1193 C PRO A 72 2.870 -15.010 4.322 1.00 0.00 C ATOM 1194 O PRO A 72 2.029 -14.237 3.874 1.00 0.00 O ATOM 1195 CB PRO A 72 3.274 -17.186 3.128 1.00 0.00 C ATOM 1196 CG PRO A 72 4.231 -18.112 3.801 1.00 0.00 C ATOM 1197 CD PRO A 72 5.546 -17.393 3.841 1.00 0.00 C ATOM 0 HA PRO A 72 3.870 -15.151 2.486 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.268 -17.302 3.532 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.214 -17.395 2.060 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.892 -18.360 4.807 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.316 -19.050 3.253 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.157 -17.712 4.686 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.132 -17.570 2.939 1.00 0.00 H new ATOM 1205 N THR A 73 3.026 -15.221 5.626 1.00 0.00 N ATOM 1206 CA THR A 73 2.187 -14.547 6.609 1.00 0.00 C ATOM 1207 C THR A 73 2.527 -13.060 6.706 1.00 0.00 C ATOM 1208 O THR A 73 1.637 -12.224 6.847 1.00 0.00 O ATOM 1209 CB THR A 73 2.314 -15.198 7.995 1.00 0.00 C ATOM 1210 OG1 THR A 73 3.688 -15.510 8.262 1.00 0.00 O ATOM 1211 CG2 THR A 73 1.462 -16.456 8.083 1.00 0.00 C ATOM 0 H THR A 73 3.723 -15.851 6.024 1.00 0.00 H new ATOM 0 HA THR A 73 1.157 -14.649 6.268 1.00 0.00 H new ATOM 0 HB THR A 73 1.955 -14.492 8.744 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.738 -16.295 8.847 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.568 -16.899 9.073 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.417 -16.200 7.910 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.790 -17.171 7.329 1.00 0.00 H new ATOM 1219 N ARG A 74 3.813 -12.737 6.605 1.00 0.00 N ATOM 1220 CA ARG A 74 4.246 -11.343 6.615 1.00 0.00 C ATOM 1221 C ARG A 74 3.739 -10.640 5.365 1.00 0.00 C ATOM 1222 O ARG A 74 3.211 -9.528 5.428 1.00 0.00 O ATOM 1223 CB ARG A 74 5.774 -11.233 6.685 1.00 0.00 C ATOM 1224 CG ARG A 74 6.334 -11.102 8.095 1.00 0.00 C ATOM 1225 CD ARG A 74 6.759 -12.438 8.688 1.00 0.00 C ATOM 1226 NE ARG A 74 5.632 -13.255 9.136 1.00 0.00 N ATOM 1227 CZ ARG A 74 5.264 -13.370 10.412 1.00 0.00 C ATOM 1228 NH1 ARG A 74 5.860 -12.639 11.349 1.00 0.00 N ATOM 1229 NH2 ARG A 74 4.291 -14.206 10.749 1.00 0.00 N ATOM 0 H ARG A 74 4.569 -13.416 6.516 1.00 0.00 H new ATOM 0 HA ARG A 74 3.831 -10.866 7.503 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.211 -12.114 6.215 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.091 -10.369 6.100 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.190 -10.428 8.080 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.581 -10.647 8.739 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.329 -12.994 7.943 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.426 -12.258 9.531 1.00 0.00 H new ATOM 0 HE ARG A 74 5.098 -13.765 8.433 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.602 -11.987 11.093 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.576 -12.730 12.324 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.824 -14.761 10.032 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.010 -14.294 11.725 1.00 0.00 H new ATOM 1243 N VAL A 75 3.886 -11.314 4.229 1.00 0.00 N ATOM 1244 CA VAL A 75 3.402 -10.791 2.961 1.00 0.00 C ATOM 1245 C VAL A 75 1.883 -10.639 2.996 1.00 0.00 C ATOM 1246 O VAL A 75 1.329 -9.710 2.417 1.00 0.00 O ATOM 1247 CB VAL A 75 3.797 -11.713 1.787 1.00 0.00 C ATOM 1248 CG1 VAL A 75 3.337 -11.131 0.458 1.00 0.00 C ATOM 1249 CG2 VAL A 75 5.299 -11.951 1.773 1.00 0.00 C ATOM 0 H VAL A 75 4.338 -12.226 4.163 1.00 0.00 H new ATOM 0 HA VAL A 75 3.864 -9.816 2.808 1.00 0.00 H new ATOM 0 HB VAL A 75 3.297 -12.671 1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.628 -11.800 -0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.253 -11.020 0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.801 -10.156 0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.556 -12.603 0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.817 -10.998 1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.601 -12.422 2.708 1.00 0.00 H new ATOM 1259 N ARG A 76 1.224 -11.548 3.704 1.00 0.00 N ATOM 1260 CA ARG A 76 -0.230 -11.554 3.803 1.00 0.00 C ATOM 1261 C ARG A 76 -0.731 -10.349 4.596 1.00 0.00 C ATOM 1262 O ARG A 76 -1.783 -9.788 4.283 1.00 0.00 O ATOM 1263 CB ARG A 76 -0.701 -12.851 4.462 1.00 0.00 C ATOM 1264 CG ARG A 76 -2.196 -13.098 4.352 1.00 0.00 C ATOM 1265 CD ARG A 76 -2.575 -14.403 5.023 1.00 0.00 C ATOM 1266 NE ARG A 76 -3.979 -14.752 4.818 1.00 0.00 N ATOM 1267 CZ ARG A 76 -4.690 -15.487 5.670 1.00 0.00 C ATOM 1268 NH1 ARG A 76 -4.152 -15.876 6.822 1.00 0.00 N ATOM 1269 NH2 ARG A 76 -5.942 -15.817 5.376 1.00 0.00 N ATOM 0 H ARG A 76 1.680 -12.298 4.223 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.643 -11.491 2.796 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.171 -13.689 4.009 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.424 -12.831 5.516 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.740 -12.274 4.814 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.489 -13.125 3.302 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.945 -15.203 4.635 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.375 -14.329 6.092 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.441 -14.413 3.974 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.194 -15.611 7.053 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.697 -16.439 7.475 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.358 -15.507 4.498 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.488 -16.380 6.028 1.00 0.00 H new ATOM 1283 N TYR A 77 0.024 -9.943 5.611 1.00 0.00 N ATOM 1284 CA TYR A 77 -0.354 -8.786 6.414 1.00 0.00 C ATOM 1285 C TYR A 77 -0.252 -7.517 5.576 1.00 0.00 C ATOM 1286 O TYR A 77 -1.161 -6.690 5.569 1.00 0.00 O ATOM 1287 CB TYR A 77 0.525 -8.664 7.659 1.00 0.00 C ATOM 1288 CG TYR A 77 -0.020 -7.698 8.689 1.00 0.00 C ATOM 1289 CD1 TYR A 77 -1.005 -8.099 9.584 1.00 0.00 C ATOM 1290 CD2 TYR A 77 0.445 -6.392 8.768 1.00 0.00 C ATOM 1291 CE1 TYR A 77 -1.509 -7.226 10.529 1.00 0.00 C ATOM 1292 CE2 TYR A 77 -0.054 -5.512 9.710 1.00 0.00 C ATOM 1293 CZ TYR A 77 -1.031 -5.934 10.588 1.00 0.00 C ATOM 1294 OH TYR A 77 -1.532 -5.062 11.532 1.00 0.00 O ATOM 0 H TYR A 77 0.894 -10.393 5.896 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.385 -8.922 6.741 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.633 -9.648 8.116 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.522 -8.340 7.360 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.383 -9.110 9.540 1.00 0.00 H new ATOM 0 HD2 TYR A 77 1.209 -6.058 8.082 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.273 -7.554 11.218 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.319 -4.500 9.758 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.090 -4.192 11.441 1.00 0.00 H new ATOM 1304 N ILE A 78 0.856 -7.379 4.859 1.00 0.00 N ATOM 1305 CA ILE A 78 1.039 -6.261 3.943 1.00 0.00 C ATOM 1306 C ILE A 78 0.019 -6.352 2.809 1.00 0.00 C ATOM 1307 O ILE A 78 -0.429 -5.343 2.261 1.00 0.00 O ATOM 1308 CB ILE A 78 2.469 -6.242 3.357 1.00 0.00 C ATOM 1309 CG1 ILE A 78 3.504 -6.257 4.486 1.00 0.00 C ATOM 1310 CG2 ILE A 78 2.671 -5.019 2.467 1.00 0.00 C ATOM 1311 CD1 ILE A 78 4.932 -6.380 4.002 1.00 0.00 C ATOM 0 H ILE A 78 1.642 -8.028 4.894 1.00 0.00 H new ATOM 0 HA ILE A 78 0.889 -5.337 4.502 1.00 0.00 H new ATOM 0 HB ILE A 78 2.603 -7.135 2.746 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.405 -5.342 5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.285 -7.088 5.157 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.684 -5.025 2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.954 -5.044 1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.519 -4.113 3.054 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.607 -6.384 4.858 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.048 -7.309 3.444 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.171 -5.536 3.355 1.00 0.00 H new ATOM 1323 N HIS A 79 -0.350 -7.580 2.481 1.00 0.00 N ATOM 1324 CA HIS A 79 -1.345 -7.846 1.456 1.00 0.00 C ATOM 1325 C HIS A 79 -2.697 -7.268 1.865 1.00 0.00 C ATOM 1326 O HIS A 79 -3.292 -6.484 1.125 1.00 0.00 O ATOM 1327 CB HIS A 79 -1.454 -9.360 1.225 1.00 0.00 C ATOM 1328 CG HIS A 79 -2.270 -9.763 0.036 1.00 0.00 C ATOM 1329 ND1 HIS A 79 -3.591 -10.140 0.116 1.00 0.00 N ATOM 1330 CD2 HIS A 79 -1.927 -9.886 -1.266 1.00 0.00 C ATOM 1331 CE1 HIS A 79 -4.025 -10.473 -1.082 1.00 0.00 C ATOM 1332 NE2 HIS A 79 -3.036 -10.332 -1.945 1.00 0.00 N ATOM 0 H HIS A 79 0.032 -8.419 2.918 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.038 -7.367 0.526 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.450 -9.768 1.112 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.886 -9.818 2.115 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -0.959 -9.673 -1.694 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.025 -10.806 -1.319 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -3.086 -10.522 -2.946 1.00 0.00 H new ATOM 1341 N VAL A 80 -3.165 -7.634 3.053 1.00 0.00 N ATOM 1342 CA VAL A 80 -4.481 -7.204 3.513 1.00 0.00 C ATOM 1343 C VAL A 80 -4.528 -5.702 3.790 1.00 0.00 C ATOM 1344 O VAL A 80 -5.499 -5.035 3.421 1.00 0.00 O ATOM 1345 CB VAL A 80 -4.957 -7.982 4.769 1.00 0.00 C ATOM 1346 CG1 VAL A 80 -5.117 -9.459 4.457 1.00 0.00 C ATOM 1347 CG2 VAL A 80 -4.009 -7.791 5.944 1.00 0.00 C ATOM 0 H VAL A 80 -2.657 -8.224 3.712 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.165 -7.431 2.695 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.927 -7.575 5.054 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.451 -9.986 5.351 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.854 -9.586 3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.160 -9.868 4.131 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.377 -8.351 6.803 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.017 -8.152 5.673 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.953 -6.732 6.198 1.00 0.00 H new ATOM 1357 N VAL A 81 -3.478 -5.163 4.406 1.00 0.00 N ATOM 1358 CA VAL A 81 -3.463 -3.752 4.779 1.00 0.00 C ATOM 1359 C VAL A 81 -3.439 -2.853 3.538 1.00 0.00 C ATOM 1360 O VAL A 81 -4.168 -1.862 3.465 1.00 0.00 O ATOM 1361 CB VAL A 81 -2.275 -3.411 5.721 1.00 0.00 C ATOM 1362 CG1 VAL A 81 -0.932 -3.574 5.024 1.00 0.00 C ATOM 1363 CG2 VAL A 81 -2.421 -2.005 6.281 1.00 0.00 C ATOM 0 H VAL A 81 -2.633 -5.678 4.655 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.384 -3.560 5.329 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.301 -4.121 6.547 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.129 -3.326 5.718 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.818 -4.606 4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.886 -2.908 4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.579 -1.786 6.938 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.438 -1.287 5.461 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.350 -1.933 6.846 1.00 0.00 H new ATOM 1373 N LEU A 82 -2.632 -3.223 2.549 1.00 0.00 N ATOM 1374 CA LEU A 82 -2.490 -2.424 1.339 1.00 0.00 C ATOM 1375 C LEU A 82 -3.749 -2.516 0.484 1.00 0.00 C ATOM 1376 O LEU A 82 -4.201 -1.522 -0.086 1.00 0.00 O ATOM 1377 CB LEU A 82 -1.275 -2.897 0.536 1.00 0.00 C ATOM 1378 CG LEU A 82 -0.814 -1.953 -0.574 1.00 0.00 C ATOM 1379 CD1 LEU A 82 -0.435 -0.597 0.002 1.00 0.00 C ATOM 1380 CD2 LEU A 82 0.360 -2.561 -1.325 1.00 0.00 C ATOM 0 H LEU A 82 -2.066 -4.072 2.563 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.343 -1.383 1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.445 -3.054 1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.508 -3.865 0.093 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.638 -1.809 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.109 0.062 -0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.299 -0.160 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.375 -0.720 0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.680 -1.880 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.186 -2.730 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.057 -3.510 -1.767 1.00 0.00 H new ATOM 1392 N HIS A 83 -4.324 -3.712 0.418 1.00 0.00 N ATOM 1393 CA HIS A 83 -5.508 -3.946 -0.403 1.00 0.00 C ATOM 1394 C HIS A 83 -6.718 -3.203 0.147 1.00 0.00 C ATOM 1395 O HIS A 83 -7.480 -2.596 -0.608 1.00 0.00 O ATOM 1396 CB HIS A 83 -5.816 -5.444 -0.493 1.00 0.00 C ATOM 1397 CG HIS A 83 -4.985 -6.182 -1.502 1.00 0.00 C ATOM 1398 ND1 HIS A 83 -3.620 -6.018 -1.630 1.00 0.00 N ATOM 1399 CD2 HIS A 83 -5.337 -7.090 -2.442 1.00 0.00 C ATOM 1400 CE1 HIS A 83 -3.173 -6.787 -2.601 1.00 0.00 C ATOM 1401 NE2 HIS A 83 -4.191 -7.453 -3.114 1.00 0.00 N ATOM 0 H HIS A 83 -3.991 -4.534 0.922 1.00 0.00 H new ATOM 0 HA HIS A 83 -5.295 -3.565 -1.402 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -5.663 -5.895 0.487 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -6.869 -5.573 -0.742 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -6.333 -7.462 -2.630 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.145 -6.861 -2.924 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -4.138 -8.124 -3.880 1.00 0.00 H new ATOM 1410 N GLU A 84 -6.874 -3.232 1.460 1.00 0.00 N ATOM 1411 CA GLU A 84 -8.032 -2.631 2.102 1.00 0.00 C ATOM 1412 C GLU A 84 -7.941 -1.109 2.095 1.00 0.00 C ATOM 1413 O GLU A 84 -8.914 -0.420 1.777 1.00 0.00 O ATOM 1414 CB GLU A 84 -8.157 -3.132 3.541 1.00 0.00 C ATOM 1415 CG GLU A 84 -9.435 -2.691 4.227 1.00 0.00 C ATOM 1416 CD GLU A 84 -10.673 -3.253 3.554 1.00 0.00 C ATOM 1417 OE1 GLU A 84 -10.625 -4.407 3.076 1.00 0.00 O ATOM 1418 OE2 GLU A 84 -11.693 -2.537 3.485 1.00 0.00 O ATOM 0 H GLU A 84 -6.212 -3.666 2.104 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.916 -2.925 1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.110 -4.221 3.543 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.303 -2.775 4.117 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.414 -3.010 5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.487 -1.602 4.228 1.00 0.00 H new ATOM 1425 N ALA A 85 -6.767 -0.588 2.430 1.00 0.00 N ATOM 1426 CA ALA A 85 -6.586 0.850 2.578 1.00 0.00 C ATOM 1427 C ALA A 85 -6.808 1.592 1.259 1.00 0.00 C ATOM 1428 O ALA A 85 -7.415 2.664 1.234 1.00 0.00 O ATOM 1429 CB ALA A 85 -5.204 1.157 3.137 1.00 0.00 C ATOM 0 H ALA A 85 -5.927 -1.140 2.604 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.339 1.204 3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.085 2.235 3.241 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.093 0.684 4.112 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.443 0.772 2.458 1.00 0.00 H new ATOM 1435 N MET A 86 -6.331 1.017 0.161 1.00 0.00 N ATOM 1436 CA MET A 86 -6.487 1.643 -1.152 1.00 0.00 C ATOM 1437 C MET A 86 -7.929 1.560 -1.640 1.00 0.00 C ATOM 1438 O MET A 86 -8.363 2.376 -2.450 1.00 0.00 O ATOM 1439 CB MET A 86 -5.543 1.020 -2.179 1.00 0.00 C ATOM 1440 CG MET A 86 -4.096 1.453 -2.016 1.00 0.00 C ATOM 1441 SD MET A 86 -3.016 0.748 -3.274 1.00 0.00 S ATOM 1442 CE MET A 86 -1.495 1.631 -2.937 1.00 0.00 C ATOM 0 H MET A 86 -5.836 0.125 0.150 1.00 0.00 H new ATOM 0 HA MET A 86 -6.225 2.695 -1.040 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.600 -0.066 -2.101 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.882 1.285 -3.180 1.00 0.00 H new ATOM 0 HG2 MET A 86 -4.039 2.541 -2.061 1.00 0.00 H new ATOM 0 HG3 MET A 86 -3.741 1.156 -1.029 1.00 0.00 H new ATOM 0 HE1 MET A 86 -0.653 1.075 -3.349 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.538 2.618 -3.397 1.00 0.00 H new ATOM 0 HE3 MET A 86 -1.367 1.738 -1.860 1.00 0.00 H new ATOM 1452 N SER A 87 -8.676 0.591 -1.128 1.00 0.00 N ATOM 1453 CA SER A 87 -10.086 0.460 -1.475 1.00 0.00 C ATOM 1454 C SER A 87 -10.875 1.652 -0.931 1.00 0.00 C ATOM 1455 O SER A 87 -11.932 2.008 -1.452 1.00 0.00 O ATOM 1456 CB SER A 87 -10.649 -0.853 -0.933 1.00 0.00 C ATOM 1457 OG SER A 87 -9.963 -1.966 -1.487 1.00 0.00 O ATOM 0 H SER A 87 -8.332 -0.113 -0.474 1.00 0.00 H new ATOM 0 HA SER A 87 -10.181 0.449 -2.561 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.561 -0.870 0.153 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.711 -0.922 -1.167 1.00 0.00 H new ATOM 0 HG SER A 87 -9.090 -2.062 -1.051 1.00 0.00 H new ATOM 1463 N GLN A 88 -10.336 2.278 0.112 1.00 0.00 N ATOM 1464 CA GLN A 88 -10.936 3.475 0.685 1.00 0.00 C ATOM 1465 C GLN A 88 -10.786 4.651 -0.281 1.00 0.00 C ATOM 1466 O GLN A 88 -11.688 5.480 -0.421 1.00 0.00 O ATOM 1467 CB GLN A 88 -10.278 3.787 2.034 1.00 0.00 C ATOM 1468 CG GLN A 88 -10.823 5.024 2.731 1.00 0.00 C ATOM 1469 CD GLN A 88 -10.238 5.213 4.119 1.00 0.00 C ATOM 1470 OE1 GLN A 88 -9.005 4.764 4.314 1.00 0.00 O flip ATOM 1471 NE2 GLN A 88 -10.888 5.762 5.008 1.00 0.00 N flip ATOM 0 H GLN A 88 -9.481 1.973 0.578 1.00 0.00 H new ATOM 0 HA GLN A 88 -12.000 3.304 0.849 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.405 2.928 2.693 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.206 3.915 1.880 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.606 5.904 2.126 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.908 4.948 2.805 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.834 6.094 4.818 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.481 5.886 5.935 1.00 0.00 H new ATOM 1480 N ALA A 89 -9.649 4.697 -0.973 1.00 0.00 N ATOM 1481 CA ALA A 89 -9.400 5.732 -1.973 1.00 0.00 C ATOM 1482 C ALA A 89 -10.376 5.591 -3.137 1.00 0.00 C ATOM 1483 O ALA A 89 -10.824 6.585 -3.713 1.00 0.00 O ATOM 1484 CB ALA A 89 -7.966 5.652 -2.474 1.00 0.00 C ATOM 0 H ALA A 89 -8.886 4.029 -0.859 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.551 6.706 -1.508 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.797 6.430 -3.219 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.280 5.794 -1.639 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.792 4.675 -2.924 1.00 0.00 H new ATOM 1490 N ARG A 90 -10.698 4.345 -3.466 1.00 0.00 N ATOM 1491 CA ARG A 90 -11.686 4.031 -4.494 1.00 0.00 C ATOM 1492 C ARG A 90 -13.027 4.692 -4.175 1.00 0.00 C ATOM 1493 O ARG A 90 -13.580 5.425 -4.997 1.00 0.00 O ATOM 1494 CB ARG A 90 -11.849 2.508 -4.591 1.00 0.00 C ATOM 1495 CG ARG A 90 -13.013 2.027 -5.450 1.00 0.00 C ATOM 1496 CD ARG A 90 -12.751 2.196 -6.939 1.00 0.00 C ATOM 1497 NE ARG A 90 -13.102 3.529 -7.428 1.00 0.00 N ATOM 1498 CZ ARG A 90 -14.150 3.776 -8.212 1.00 0.00 C ATOM 1499 NH1 ARG A 90 -14.972 2.795 -8.559 1.00 0.00 N ATOM 1500 NH2 ARG A 90 -14.383 5.003 -8.658 1.00 0.00 N ATOM 0 H ARG A 90 -10.282 3.523 -3.028 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.340 4.420 -5.452 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.927 2.086 -4.990 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -11.973 2.108 -3.585 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.207 0.976 -5.236 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -13.913 2.579 -5.178 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.697 2.005 -7.142 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -13.322 1.449 -7.491 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.511 4.314 -7.153 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -14.803 1.846 -8.225 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.773 2.989 -9.160 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.757 5.766 -8.401 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.188 5.183 -9.258 1.00 0.00 H new ATOM 1514 N GLU A 91 -13.522 4.461 -2.964 1.00 0.00 N ATOM 1515 CA GLU A 91 -14.831 4.967 -2.558 1.00 0.00 C ATOM 1516 C GLU A 91 -14.809 6.479 -2.342 1.00 0.00 C ATOM 1517 O GLU A 91 -15.859 7.121 -2.292 1.00 0.00 O ATOM 1518 CB GLU A 91 -15.295 4.277 -1.279 1.00 0.00 C ATOM 1519 CG GLU A 91 -15.278 2.761 -1.364 1.00 0.00 C ATOM 1520 CD GLU A 91 -15.961 2.109 -0.185 1.00 0.00 C ATOM 1521 OE1 GLU A 91 -15.512 2.318 0.962 1.00 0.00 O ATOM 1522 OE2 GLU A 91 -16.967 1.399 -0.400 1.00 0.00 O ATOM 0 H GLU A 91 -13.037 3.926 -2.244 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.529 4.747 -3.366 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.657 4.593 -0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -16.307 4.608 -1.044 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.770 2.446 -2.285 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.246 2.415 -1.419 1.00 0.00 H new ATOM 1529 N SER A 92 -13.611 7.042 -2.212 1.00 0.00 N ATOM 1530 CA SER A 92 -13.462 8.478 -2.001 1.00 0.00 C ATOM 1531 C SER A 92 -13.354 9.223 -3.332 1.00 0.00 C ATOM 1532 O SER A 92 -13.392 10.454 -3.370 1.00 0.00 O ATOM 1533 CB SER A 92 -12.228 8.759 -1.140 1.00 0.00 C ATOM 1534 OG SER A 92 -12.294 8.055 0.090 1.00 0.00 O ATOM 0 H SER A 92 -12.731 6.527 -2.249 1.00 0.00 H new ATOM 0 HA SER A 92 -14.351 8.837 -1.482 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.328 8.468 -1.682 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.151 9.829 -0.947 1.00 0.00 H new ATOM 0 HG SER A 92 -11.842 7.190 -0.003 1.00 0.00 H new ATOM 1540 N GLY A 93 -13.216 8.468 -4.421 1.00 0.00 N ATOM 1541 CA GLY A 93 -13.109 9.074 -5.738 1.00 0.00 C ATOM 1542 C GLY A 93 -11.680 9.431 -6.099 1.00 0.00 C ATOM 1543 O GLY A 93 -11.424 10.031 -7.145 1.00 0.00 O ATOM 0 H GLY A 93 -13.176 7.449 -4.414 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -13.508 8.387 -6.484 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.724 9.973 -5.772 1.00 0.00 H new ATOM 1547 N LEU A 94 -10.746 9.051 -5.240 1.00 0.00 N ATOM 1548 CA LEU A 94 -9.335 9.345 -5.461 1.00 0.00 C ATOM 1549 C LEU A 94 -8.713 8.292 -6.363 1.00 0.00 C ATOM 1550 O LEU A 94 -7.757 8.562 -7.090 1.00 0.00 O ATOM 1551 CB LEU A 94 -8.586 9.397 -4.130 1.00 0.00 C ATOM 1552 CG LEU A 94 -9.104 10.433 -3.130 1.00 0.00 C ATOM 1553 CD1 LEU A 94 -8.284 10.390 -1.854 1.00 0.00 C ATOM 1554 CD2 LEU A 94 -9.070 11.828 -3.735 1.00 0.00 C ATOM 0 H LEU A 94 -10.939 8.537 -4.381 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.258 10.318 -5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.634 8.412 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.535 9.604 -4.331 1.00 0.00 H new ATOM 0 HG LEU A 94 -10.139 10.190 -2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.664 11.132 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.357 9.398 -1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.241 10.609 -2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.442 12.549 -3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.045 12.082 -4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.698 11.854 -4.626 1.00 0.00 H new ATOM 1566 N LEU A 95 -9.268 7.095 -6.308 1.00 0.00 N ATOM 1567 CA LEU A 95 -8.799 5.993 -7.122 1.00 0.00 C ATOM 1568 C LEU A 95 -9.938 5.511 -8.013 1.00 0.00 C ATOM 1569 O LEU A 95 -11.043 5.264 -7.529 1.00 0.00 O ATOM 1570 CB LEU A 95 -8.285 4.872 -6.218 1.00 0.00 C ATOM 1571 CG LEU A 95 -7.534 3.743 -6.919 1.00 0.00 C ATOM 1572 CD1 LEU A 95 -6.368 4.289 -7.727 1.00 0.00 C ATOM 1573 CD2 LEU A 95 -7.036 2.738 -5.895 1.00 0.00 C ATOM 0 H LEU A 95 -10.053 6.862 -5.700 1.00 0.00 H new ATOM 0 HA LEU A 95 -7.976 6.316 -7.759 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.627 5.310 -5.468 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.134 4.442 -5.686 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.220 3.245 -7.604 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.848 3.466 -8.217 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.741 4.983 -8.480 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.678 4.810 -7.063 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.501 1.936 -6.403 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.365 3.235 -5.194 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.884 2.322 -5.352 1.00 0.00 H new ATOM 1585 N LEU A 96 -9.672 5.395 -9.308 1.00 0.00 N ATOM 1586 CA LEU A 96 -10.716 5.090 -10.287 1.00 0.00 C ATOM 1587 C LEU A 96 -10.969 3.587 -10.394 1.00 0.00 C ATOM 1588 O LEU A 96 -12.059 3.156 -10.766 1.00 0.00 O ATOM 1589 CB LEU A 96 -10.351 5.649 -11.671 1.00 0.00 C ATOM 1590 CG LEU A 96 -9.121 5.026 -12.347 1.00 0.00 C ATOM 1591 CD1 LEU A 96 -9.125 5.339 -13.832 1.00 0.00 C ATOM 1592 CD2 LEU A 96 -7.830 5.535 -11.718 1.00 0.00 C ATOM 0 H LEU A 96 -8.741 5.507 -9.709 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.630 5.569 -9.936 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.209 5.518 -12.331 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -10.183 6.722 -11.575 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.171 3.947 -12.204 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -8.248 4.892 -14.300 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.027 4.931 -14.287 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.102 6.419 -13.976 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.977 5.076 -12.217 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.775 6.618 -11.826 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -7.814 5.275 -10.660 1.00 0.00 H new ATOM 1604 N GLN A 97 -9.962 2.794 -10.068 1.00 0.00 N ATOM 1605 CA GLN A 97 -10.060 1.344 -10.177 1.00 0.00 C ATOM 1606 C GLN A 97 -9.524 0.695 -8.913 1.00 0.00 C ATOM 1607 O GLN A 97 -9.098 1.387 -7.997 1.00 0.00 O ATOM 1608 CB GLN A 97 -9.269 0.842 -11.392 1.00 0.00 C ATOM 1609 CG GLN A 97 -9.873 1.232 -12.734 1.00 0.00 C ATOM 1610 CD GLN A 97 -8.980 0.862 -13.904 1.00 0.00 C ATOM 1611 OE1 GLN A 97 -9.057 -0.243 -14.441 1.00 0.00 O ATOM 1612 NE2 GLN A 97 -8.128 1.791 -14.310 1.00 0.00 N ATOM 0 H GLN A 97 -9.062 3.130 -9.724 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.108 1.075 -10.306 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -8.253 1.232 -11.336 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -9.197 -0.244 -11.341 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -10.840 0.742 -12.850 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -10.057 2.306 -12.747 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.095 2.695 -13.838 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -7.504 1.603 -15.095 1.00 0.00 H new ATOM 1621 N ASN A 98 -9.552 -0.626 -8.857 1.00 0.00 N ATOM 1622 CA ASN A 98 -8.931 -1.333 -7.751 1.00 0.00 C ATOM 1623 C ASN A 98 -7.729 -2.135 -8.248 1.00 0.00 C ATOM 1624 O ASN A 98 -7.856 -3.270 -8.707 1.00 0.00 O ATOM 1625 CB ASN A 98 -9.944 -2.234 -7.017 1.00 0.00 C ATOM 1626 CG ASN A 98 -10.624 -3.265 -7.913 1.00 0.00 C ATOM 1627 OD1 ASN A 98 -10.777 -3.067 -9.121 1.00 0.00 O ATOM 1628 ND2 ASN A 98 -11.054 -4.369 -7.322 1.00 0.00 N ATOM 0 H ASN A 98 -9.993 -1.224 -9.556 1.00 0.00 H new ATOM 0 HA ASN A 98 -8.578 -0.597 -7.029 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.432 -2.754 -6.207 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.708 -1.606 -6.559 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.528 -5.088 -7.868 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.911 -4.500 -6.321 1.00 0.00 H new ATOM 1635 N PRO A 99 -6.532 -1.537 -8.171 1.00 0.00 N ATOM 1636 CA PRO A 99 -5.292 -2.184 -8.581 1.00 0.00 C ATOM 1637 C PRO A 99 -4.820 -3.169 -7.527 1.00 0.00 C ATOM 1638 O PRO A 99 -3.934 -3.985 -7.767 1.00 0.00 O ATOM 1639 CB PRO A 99 -4.291 -1.025 -8.722 1.00 0.00 C ATOM 1640 CG PRO A 99 -5.077 0.227 -8.492 1.00 0.00 C ATOM 1641 CD PRO A 99 -6.286 -0.174 -7.700 1.00 0.00 C ATOM 0 HA PRO A 99 -5.408 -2.755 -9.502 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.482 -1.117 -7.997 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -3.833 -1.023 -9.711 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.484 0.964 -7.950 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -5.366 0.684 -9.438 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.097 -0.143 -6.627 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.135 0.482 -7.894 1.00 0.00 H new ATOM 1649 N THR A 100 -5.439 -3.080 -6.362 1.00 0.00 N ATOM 1650 CA THR A 100 -5.118 -3.939 -5.244 1.00 0.00 C ATOM 1651 C THR A 100 -5.500 -5.381 -5.538 1.00 0.00 C ATOM 1652 O THR A 100 -4.652 -6.269 -5.532 1.00 0.00 O ATOM 1653 CB THR A 100 -5.840 -3.457 -3.976 1.00 0.00 C ATOM 1654 OG1 THR A 100 -7.214 -3.167 -4.275 1.00 0.00 O ATOM 1655 CG2 THR A 100 -5.166 -2.218 -3.413 1.00 0.00 C ATOM 0 H THR A 100 -6.180 -2.407 -6.168 1.00 0.00 H new ATOM 0 HA THR A 100 -4.041 -3.893 -5.083 1.00 0.00 H new ATOM 0 HB THR A 100 -5.791 -4.250 -3.230 1.00 0.00 H new ATOM 0 HG1 THR A 100 -7.668 -2.862 -3.462 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.693 -1.893 -2.516 1.00 0.00 H new ATOM 0 HG22 THR A 100 -4.131 -2.449 -3.162 1.00 0.00 H new ATOM 0 HG23 THR A 100 -5.190 -1.421 -4.156 1.00 0.00 H new ATOM 1663 N GLU A 101 -6.775 -5.608 -5.817 1.00 0.00 N ATOM 1664 CA GLU A 101 -7.262 -6.950 -6.104 1.00 0.00 C ATOM 1665 C GLU A 101 -6.786 -7.416 -7.472 1.00 0.00 C ATOM 1666 O GLU A 101 -6.830 -8.605 -7.785 1.00 0.00 O ATOM 1667 CB GLU A 101 -8.785 -6.994 -6.026 1.00 0.00 C ATOM 1668 CG GLU A 101 -9.325 -6.616 -4.657 1.00 0.00 C ATOM 1669 CD GLU A 101 -10.806 -6.887 -4.527 1.00 0.00 C ATOM 1670 OE1 GLU A 101 -11.610 -6.005 -4.886 1.00 0.00 O ATOM 1671 OE2 GLU A 101 -11.173 -7.991 -4.067 1.00 0.00 O ATOM 0 H GLU A 101 -7.490 -4.882 -5.851 1.00 0.00 H new ATOM 0 HA GLU A 101 -6.857 -7.627 -5.352 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.200 -6.317 -6.773 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.127 -7.997 -6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -8.788 -7.174 -3.891 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.134 -5.559 -4.474 1.00 0.00 H new ATOM 1678 N ALA A 102 -6.329 -6.470 -8.281 1.00 0.00 N ATOM 1679 CA ALA A 102 -5.756 -6.780 -9.581 1.00 0.00 C ATOM 1680 C ALA A 102 -4.298 -7.211 -9.438 1.00 0.00 C ATOM 1681 O ALA A 102 -3.706 -7.761 -10.368 1.00 0.00 O ATOM 1682 CB ALA A 102 -5.869 -5.580 -10.507 1.00 0.00 C ATOM 0 H ALA A 102 -6.345 -5.475 -8.056 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.315 -7.608 -10.016 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -5.436 -5.826 -11.476 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.919 -5.317 -10.635 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.333 -4.735 -10.075 1.00 0.00 H new ATOM 1688 N ALA A 103 -3.725 -6.951 -8.267 1.00 0.00 N ATOM 1689 CA ALA A 103 -2.353 -7.342 -7.983 1.00 0.00 C ATOM 1690 C ALA A 103 -2.323 -8.657 -7.216 1.00 0.00 C ATOM 1691 O ALA A 103 -2.521 -8.689 -5.995 1.00 0.00 O ATOM 1692 CB ALA A 103 -1.634 -6.253 -7.198 1.00 0.00 C ATOM 0 H ALA A 103 -4.193 -6.470 -7.499 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.834 -7.480 -8.931 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.610 -6.566 -6.996 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.624 -5.331 -7.780 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.153 -6.081 -6.255 1.00 0.00 H new ATOM 1698 N LYS A 104 -2.103 -9.741 -7.941 1.00 0.00 N ATOM 1699 CA LYS A 104 -2.051 -11.066 -7.343 1.00 0.00 C ATOM 1700 C LYS A 104 -0.681 -11.695 -7.581 1.00 0.00 C ATOM 1701 O LYS A 104 -0.185 -11.700 -8.708 1.00 0.00 O ATOM 1702 CB LYS A 104 -3.141 -11.964 -7.941 1.00 0.00 C ATOM 1703 CG LYS A 104 -4.546 -11.383 -7.857 1.00 0.00 C ATOM 1704 CD LYS A 104 -5.567 -12.304 -8.513 1.00 0.00 C ATOM 1705 CE LYS A 104 -6.948 -11.663 -8.592 1.00 0.00 C ATOM 1706 NZ LYS A 104 -7.498 -11.334 -7.248 1.00 0.00 N ATOM 0 H LYS A 104 -1.957 -9.730 -8.950 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.220 -10.969 -6.271 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.902 -12.158 -8.987 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.126 -12.925 -7.427 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.814 -11.225 -6.812 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.568 -10.408 -8.343 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -5.230 -12.563 -9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -5.631 -13.234 -7.949 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -6.890 -10.754 -9.190 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -7.631 -12.340 -9.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -8.498 -11.617 -7.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.961 -11.844 -6.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -7.420 -10.310 -7.082 1.00 0.00 H new