USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 622 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 84 GLN : amide:sc= 0.211 K(o=0.68,f=-6.6!) USER MOD Set 1.2: A 88 LYS NZ :NH3+ -132:sc= 0.47 (180deg=0) USER MOD Set 2.1: A 62 LYS NZ :NH3+ -115:sc= 0.0136 (180deg=-0.634) USER MOD Set 2.2: A 65 GLN : amide:sc= -3.18! C(o=-3.2!,f=-6.4!) USER MOD Set 3.1: A 19 SER OG : rot -141:sc= 0.466 USER MOD Set 3.2: A 31 ASN : amide:sc= 0.816 K(o=1.3,f=-1.8) USER MOD Set 4.1: A 23 CYS SG : rot 179:sc= -0.248 USER MOD Set 4.2: A 26 CYS SG : rot -65:sc= 0.0551 USER MOD Set 4.3: A 28 SER OG : rot 77:sc= 1.12 USER MOD Set 4.4: A 54 ASN : amide:sc= -4.37! C(o=-8.9!,f=-13!) USER MOD Set 4.5: A 55 HIS : no HE2:sc= -4.32! C(o=-8.9!,f=-11!) USER MOD Set 4.6: A 58 CYS SG : rot -70:sc= -1.14 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 74:sc= 0.575 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 160:sc= -0.118 USER MOD Single : A 21 SER OG : rot 127:sc= -0.836 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 140:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -165:sc=-0.00386 (180deg=-0.155) USER MOD Single : A 32 LYS NZ :NH3+ 155:sc= 0.763 (180deg=0.0453) USER MOD Single : A 34 ASN : amide:sc= 0.123 X(o=0.12,f=-0.16) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.0202) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 1:sc= 0.693 USER MOD Single : A 83 GLN : amide:sc= 0.355 K(o=0.36,f=-0.71) USER MOD Single : A 85 LYS NZ :NH3+ -121:sc= 0.0687 (180deg=0) USER MOD Single : A 89 TYR OH : rot 11:sc= 0.349 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 9 9.739 11.608 3.867 1.00 0.00 N ATOM 84 CA LYS A 9 9.833 10.598 2.820 1.00 0.00 C ATOM 85 C LYS A 9 8.726 10.781 1.786 1.00 0.00 C ATOM 86 O LYS A 9 7.586 11.110 2.114 1.00 0.00 O ATOM 87 CB LYS A 9 9.753 9.196 3.427 1.00 0.00 C ATOM 88 CG LYS A 9 11.102 8.634 3.841 1.00 0.00 C ATOM 89 CD LYS A 9 10.973 7.687 5.022 1.00 0.00 C ATOM 90 CE LYS A 9 12.316 7.448 5.696 1.00 0.00 C ATOM 91 NZ LYS A 9 12.250 6.340 6.688 1.00 0.00 N ATOM 0 HA LYS A 9 10.795 10.716 2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.098 9.223 4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.295 8.522 2.704 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.552 8.108 2.999 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.774 9.452 4.101 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.270 8.100 5.746 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.560 6.736 4.684 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.065 7.214 4.940 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.640 8.362 6.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.185 6.209 7.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.554 6.574 7.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.966 5.462 6.209 1.00 0.00 H new ATOM 105 N PRO A 10 9.067 10.561 0.508 1.00 0.00 N ATOM 106 CA PRO A 10 8.115 10.693 -0.599 1.00 0.00 C ATOM 107 C PRO A 10 7.059 9.594 -0.589 1.00 0.00 C ATOM 108 O PRO A 10 5.890 9.841 -0.886 1.00 0.00 O ATOM 109 CB PRO A 10 8.999 10.574 -1.843 1.00 0.00 C ATOM 110 CG PRO A 10 10.183 9.788 -1.393 1.00 0.00 C ATOM 111 CD PRO A 10 10.408 10.166 0.045 1.00 0.00 C ATOM 0 HA PRO A 10 7.554 11.626 -0.545 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.474 10.070 -2.655 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.293 11.555 -2.215 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.001 8.718 -1.491 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.059 10.020 -1.999 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.803 9.330 0.623 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.122 10.984 0.138 1.00 0.00 H new ATOM 119 N TRP A 11 7.477 8.381 -0.246 1.00 0.00 N ATOM 120 CA TRP A 11 6.565 7.243 -0.198 1.00 0.00 C ATOM 121 C TRP A 11 6.348 6.780 1.239 1.00 0.00 C ATOM 122 O TRP A 11 7.218 6.952 2.094 1.00 0.00 O ATOM 123 CB TRP A 11 7.110 6.090 -1.041 1.00 0.00 C ATOM 124 CG TRP A 11 7.111 6.378 -2.512 1.00 0.00 C ATOM 125 CD1 TRP A 11 8.131 6.919 -3.241 1.00 0.00 C ATOM 126 CD2 TRP A 11 6.039 6.143 -3.432 1.00 0.00 C ATOM 127 NE1 TRP A 11 7.758 7.034 -4.559 1.00 0.00 N ATOM 128 CE2 TRP A 11 6.479 6.564 -4.702 1.00 0.00 C ATOM 129 CE3 TRP A 11 4.750 5.617 -3.306 1.00 0.00 C ATOM 130 CZ2 TRP A 11 5.676 6.475 -5.835 1.00 0.00 C ATOM 131 CZ3 TRP A 11 3.954 5.529 -4.432 1.00 0.00 C ATOM 132 CH2 TRP A 11 4.419 5.956 -5.684 1.00 0.00 C ATOM 0 H TRP A 11 8.441 8.160 0.003 1.00 0.00 H new ATOM 0 HA TRP A 11 5.606 7.561 -0.607 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.128 5.865 -0.721 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.512 5.198 -0.853 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.090 7.213 -2.841 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.339 7.409 -5.309 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.383 5.285 -2.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.033 6.804 -6.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.956 5.124 -4.346 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.773 5.874 -6.545 1.00 0.00 H new ATOM 143 N ARG A 12 5.184 6.194 1.498 1.00 0.00 N ATOM 144 CA ARG A 12 4.854 5.707 2.832 1.00 0.00 C ATOM 145 C ARG A 12 4.359 4.265 2.777 1.00 0.00 C ATOM 146 O ARG A 12 3.834 3.816 1.758 1.00 0.00 O ATOM 147 CB ARG A 12 3.790 6.599 3.474 1.00 0.00 C ATOM 148 CG ARG A 12 2.473 6.618 2.716 1.00 0.00 C ATOM 149 CD ARG A 12 1.304 6.926 3.638 1.00 0.00 C ATOM 150 NE ARG A 12 1.044 8.360 3.733 1.00 0.00 N ATOM 151 CZ ARG A 12 0.375 8.921 4.734 1.00 0.00 C ATOM 152 NH1 ARG A 12 -0.101 8.173 5.720 1.00 0.00 N ATOM 153 NH2 ARG A 12 0.180 10.233 4.750 1.00 0.00 N ATOM 0 H ARG A 12 4.454 6.045 0.802 1.00 0.00 H new ATOM 0 HA ARG A 12 5.759 5.739 3.438 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.608 6.257 4.493 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.174 7.617 3.543 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.519 7.365 1.923 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.314 5.652 2.236 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.411 6.419 3.272 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.512 6.529 4.632 1.00 0.00 H new ATOM 0 HE ARG A 12 1.395 8.964 2.990 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.046 7.164 5.711 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.614 8.607 6.487 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.544 10.812 3.993 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.334 10.663 5.519 1.00 0.00 H new ATOM 167 N ALA A 13 4.530 3.544 3.880 1.00 0.00 N ATOM 168 CA ALA A 13 4.099 2.153 3.959 1.00 0.00 C ATOM 169 C ALA A 13 3.311 1.894 5.238 1.00 0.00 C ATOM 170 O ALA A 13 3.793 2.160 6.339 1.00 0.00 O ATOM 171 CB ALA A 13 5.301 1.223 3.879 1.00 0.00 C ATOM 0 H ALA A 13 4.964 3.900 4.732 1.00 0.00 H new ATOM 0 HA ALA A 13 3.442 1.953 3.113 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.965 0.188 3.939 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.821 1.381 2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.979 1.433 4.706 1.00 0.00 H new ATOM 177 N GLU A 14 2.097 1.374 5.085 1.00 0.00 N ATOM 178 CA GLU A 14 1.242 1.081 6.229 1.00 0.00 C ATOM 179 C GLU A 14 -0.014 0.333 5.792 1.00 0.00 C ATOM 180 O GLU A 14 -0.433 0.423 4.638 1.00 0.00 O ATOM 181 CB GLU A 14 0.855 2.374 6.949 1.00 0.00 C ATOM 182 CG GLU A 14 0.222 3.412 6.038 1.00 0.00 C ATOM 183 CD GLU A 14 0.166 4.788 6.672 1.00 0.00 C ATOM 184 OE1 GLU A 14 1.240 5.390 6.881 1.00 0.00 O ATOM 185 OE2 GLU A 14 -0.953 5.264 6.959 1.00 0.00 O ATOM 0 H GLU A 14 1.684 1.147 4.180 1.00 0.00 H new ATOM 0 HA GLU A 14 1.802 0.446 6.915 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.160 2.137 7.754 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.744 2.803 7.411 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.788 3.467 5.108 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.788 3.094 5.778 1.00 0.00 H new ATOM 192 N TYR A 15 -0.609 -0.405 6.722 1.00 0.00 N ATOM 193 CA TYR A 15 -1.816 -1.171 6.434 1.00 0.00 C ATOM 194 C TYR A 15 -3.064 -0.317 6.634 1.00 0.00 C ATOM 195 O TYR A 15 -3.200 0.379 7.640 1.00 0.00 O ATOM 196 CB TYR A 15 -1.884 -2.411 7.327 1.00 0.00 C ATOM 197 CG TYR A 15 -0.978 -3.533 6.875 1.00 0.00 C ATOM 198 CD1 TYR A 15 -1.369 -4.405 5.866 1.00 0.00 C ATOM 199 CD2 TYR A 15 0.269 -3.723 7.457 1.00 0.00 C ATOM 200 CE1 TYR A 15 -0.544 -5.432 5.450 1.00 0.00 C ATOM 201 CE2 TYR A 15 1.101 -4.747 7.047 1.00 0.00 C ATOM 202 CZ TYR A 15 0.690 -5.599 6.043 1.00 0.00 C ATOM 203 OH TYR A 15 1.515 -6.621 5.632 1.00 0.00 O ATOM 0 H TYR A 15 -0.275 -0.489 7.682 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.776 -1.485 5.391 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.619 -2.129 8.346 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.912 -2.773 7.353 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.334 -4.278 5.399 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.594 -3.058 8.244 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.864 -6.101 4.664 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.068 -4.880 7.510 1.00 0.00 H new ATOM 0 HH TYR A 15 1.900 -6.400 4.758 1.00 0.00 H new ATOM 213 N ALA A 16 -3.975 -0.376 5.668 1.00 0.00 N ATOM 214 CA ALA A 16 -5.214 0.389 5.738 1.00 0.00 C ATOM 215 C ALA A 16 -6.019 0.018 6.979 1.00 0.00 C ATOM 216 O ALA A 16 -5.900 -1.091 7.500 1.00 0.00 O ATOM 217 CB ALA A 16 -6.043 0.166 4.482 1.00 0.00 C ATOM 0 H ALA A 16 -3.878 -0.946 4.828 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.956 1.446 5.807 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.965 0.743 4.548 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.475 0.488 3.609 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.284 -0.893 4.388 1.00 0.00 H new ATOM 223 N LYS A 17 -6.837 0.954 7.449 1.00 0.00 N ATOM 224 CA LYS A 17 -7.662 0.726 8.629 1.00 0.00 C ATOM 225 C LYS A 17 -9.124 0.528 8.240 1.00 0.00 C ATOM 226 O LYS A 17 -9.881 -0.131 8.952 1.00 0.00 O ATOM 227 CB LYS A 17 -7.537 1.903 9.599 1.00 0.00 C ATOM 228 CG LYS A 17 -6.118 2.140 10.087 1.00 0.00 C ATOM 229 CD LYS A 17 -6.092 3.055 11.300 1.00 0.00 C ATOM 230 CE LYS A 17 -6.109 4.521 10.893 1.00 0.00 C ATOM 231 NZ LYS A 17 -4.737 5.048 10.658 1.00 0.00 N ATOM 0 H LYS A 17 -6.946 1.878 7.030 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.308 -0.181 9.120 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.900 2.807 9.109 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.183 1.725 10.459 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.655 1.186 10.339 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.525 2.580 9.285 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.952 2.843 11.936 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.200 2.851 11.892 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.703 4.639 9.987 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.595 5.108 11.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.792 6.049 10.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.177 4.959 11.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.282 4.504 9.897 1.00 0.00 H new ATOM 245 N SER A 18 -9.513 1.101 7.106 1.00 0.00 N ATOM 246 CA SER A 18 -10.885 0.988 6.624 1.00 0.00 C ATOM 247 C SER A 18 -10.917 0.848 5.105 1.00 0.00 C ATOM 248 O SER A 18 -9.943 1.161 4.421 1.00 0.00 O ATOM 249 CB SER A 18 -11.700 2.210 7.052 1.00 0.00 C ATOM 250 OG SER A 18 -13.040 2.112 6.603 1.00 0.00 O ATOM 0 H SER A 18 -8.898 1.648 6.504 1.00 0.00 H new ATOM 0 HA SER A 18 -11.326 0.093 7.063 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.683 2.300 8.138 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.244 3.114 6.650 1.00 0.00 H new ATOM 0 HG SER A 18 -13.608 2.708 7.135 1.00 0.00 H new ATOM 256 N SER A 19 -12.045 0.375 4.585 1.00 0.00 N ATOM 257 CA SER A 19 -12.205 0.188 3.148 1.00 0.00 C ATOM 258 C SER A 19 -12.882 1.400 2.515 1.00 0.00 C ATOM 259 O SER A 19 -13.735 1.261 1.638 1.00 0.00 O ATOM 260 CB SER A 19 -13.022 -1.073 2.863 1.00 0.00 C ATOM 261 OG SER A 19 -12.648 -2.129 3.731 1.00 0.00 O ATOM 0 H SER A 19 -12.862 0.114 5.138 1.00 0.00 H new ATOM 0 HA SER A 19 -11.214 0.076 2.709 1.00 0.00 H new ATOM 0 HB2 SER A 19 -14.084 -0.857 2.984 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.875 -1.380 1.827 1.00 0.00 H new ATOM 0 HG SER A 19 -12.640 -2.974 3.234 1.00 0.00 H new ATOM 267 N ARG A 20 -12.496 2.589 2.966 1.00 0.00 N ATOM 268 CA ARG A 20 -13.066 3.826 2.446 1.00 0.00 C ATOM 269 C ARG A 20 -12.227 4.368 1.292 1.00 0.00 C ATOM 270 O ARG A 20 -12.763 4.785 0.265 1.00 0.00 O ATOM 271 CB ARG A 20 -13.163 4.874 3.556 1.00 0.00 C ATOM 272 CG ARG A 20 -14.335 4.656 4.499 1.00 0.00 C ATOM 273 CD ARG A 20 -14.900 5.976 5.001 1.00 0.00 C ATOM 274 NE ARG A 20 -15.977 6.470 4.147 1.00 0.00 N ATOM 275 CZ ARG A 20 -17.219 6.001 4.185 1.00 0.00 C ATOM 276 NH1 ARG A 20 -17.539 5.030 5.030 1.00 0.00 N ATOM 277 NH2 ARG A 20 -18.144 6.502 3.376 1.00 0.00 N ATOM 0 H ARG A 20 -11.791 2.722 3.691 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.067 3.607 2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.238 4.867 4.132 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.250 5.862 3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.117 4.096 3.986 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.014 4.051 5.347 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.273 5.848 6.017 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.103 6.718 5.045 1.00 0.00 H new ATOM 0 HE ARG A 20 -15.764 7.216 3.485 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.831 4.642 5.653 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.494 4.672 5.057 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -17.901 7.248 2.724 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -19.098 6.141 3.406 1.00 0.00 H new ATOM 291 N SER A 21 -10.910 4.359 1.469 1.00 0.00 N ATOM 292 CA SER A 21 -9.998 4.854 0.445 1.00 0.00 C ATOM 293 C SER A 21 -10.034 3.961 -0.792 1.00 0.00 C ATOM 294 O SER A 21 -10.234 2.750 -0.691 1.00 0.00 O ATOM 295 CB SER A 21 -8.572 4.926 0.994 1.00 0.00 C ATOM 296 OG SER A 21 -7.999 3.634 1.098 1.00 0.00 O ATOM 0 H SER A 21 -10.451 4.014 2.312 1.00 0.00 H new ATOM 0 HA SER A 21 -10.321 5.855 0.159 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.959 5.548 0.341 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.580 5.404 1.974 1.00 0.00 H new ATOM 0 HG SER A 21 -7.137 3.620 0.631 1.00 0.00 H new ATOM 302 N SER A 22 -9.837 4.567 -1.958 1.00 0.00 N ATOM 303 CA SER A 22 -9.851 3.829 -3.215 1.00 0.00 C ATOM 304 C SER A 22 -8.610 4.147 -4.045 1.00 0.00 C ATOM 305 O SER A 22 -8.232 5.308 -4.199 1.00 0.00 O ATOM 306 CB SER A 22 -11.112 4.164 -4.014 1.00 0.00 C ATOM 307 OG SER A 22 -12.259 4.157 -3.183 1.00 0.00 O ATOM 0 H SER A 22 -9.666 5.568 -2.058 1.00 0.00 H new ATOM 0 HA SER A 22 -9.849 2.764 -2.983 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.002 5.144 -4.479 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.238 3.441 -4.820 1.00 0.00 H new ATOM 0 HG SER A 22 -13.051 4.376 -3.717 1.00 0.00 H new ATOM 313 N CYS A 23 -7.981 3.105 -4.578 1.00 0.00 N ATOM 314 CA CYS A 23 -6.782 3.270 -5.392 1.00 0.00 C ATOM 315 C CYS A 23 -7.029 4.256 -6.530 1.00 0.00 C ATOM 316 O CYS A 23 -8.174 4.540 -6.883 1.00 0.00 O ATOM 317 CB CYS A 23 -6.336 1.921 -5.958 1.00 0.00 C ATOM 318 SG CYS A 23 -4.804 1.998 -6.942 1.00 0.00 S ATOM 0 H CYS A 23 -8.281 2.137 -4.461 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.992 3.668 -4.755 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.191 1.223 -5.133 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.135 1.518 -6.580 1.00 0.00 H new ATOM 0 HG CYS A 23 -4.493 0.805 -7.354 1.00 0.00 H new ATOM 323 N LYS A 24 -5.948 4.774 -7.102 1.00 0.00 N ATOM 324 CA LYS A 24 -6.045 5.726 -8.202 1.00 0.00 C ATOM 325 C LYS A 24 -5.532 5.112 -9.501 1.00 0.00 C ATOM 326 O LYS A 24 -5.963 5.489 -10.591 1.00 0.00 O ATOM 327 CB LYS A 24 -5.252 6.994 -7.877 1.00 0.00 C ATOM 328 CG LYS A 24 -5.673 7.658 -6.578 1.00 0.00 C ATOM 329 CD LYS A 24 -6.988 8.405 -6.734 1.00 0.00 C ATOM 330 CE LYS A 24 -6.786 9.756 -7.401 1.00 0.00 C ATOM 331 NZ LYS A 24 -8.056 10.530 -7.483 1.00 0.00 N ATOM 0 H LYS A 24 -4.993 4.550 -6.822 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.096 5.985 -8.334 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.192 6.745 -7.821 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.370 7.706 -8.694 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.773 6.903 -5.798 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.896 8.351 -6.254 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.680 7.806 -7.326 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.446 8.546 -5.755 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.047 10.330 -6.842 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.385 9.609 -8.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.876 11.445 -7.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.754 9.994 -8.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.426 10.692 -6.525 1.00 0.00 H new ATOM 345 N THR A 25 -4.610 4.162 -9.377 1.00 0.00 N ATOM 346 CA THR A 25 -4.039 3.495 -10.541 1.00 0.00 C ATOM 347 C THR A 25 -5.054 2.565 -11.195 1.00 0.00 C ATOM 348 O THR A 25 -5.198 2.548 -12.418 1.00 0.00 O ATOM 349 CB THR A 25 -2.785 2.684 -10.164 1.00 0.00 C ATOM 350 OG1 THR A 25 -1.657 3.557 -10.033 1.00 0.00 O ATOM 351 CG2 THR A 25 -2.491 1.623 -11.213 1.00 0.00 C ATOM 0 H THR A 25 -4.243 3.837 -8.482 1.00 0.00 H new ATOM 0 HA THR A 25 -3.759 4.276 -11.247 1.00 0.00 H new ATOM 0 HB THR A 25 -2.973 2.189 -9.211 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.115 3.278 -9.266 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.601 1.063 -10.925 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.339 0.942 -11.290 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.322 2.102 -12.177 1.00 0.00 H new ATOM 359 N CYS A 26 -5.757 1.793 -10.373 1.00 0.00 N ATOM 360 CA CYS A 26 -6.760 0.859 -10.872 1.00 0.00 C ATOM 361 C CYS A 26 -8.168 1.398 -10.638 1.00 0.00 C ATOM 362 O CYS A 26 -9.129 0.948 -11.263 1.00 0.00 O ATOM 363 CB CYS A 26 -6.603 -0.502 -10.191 1.00 0.00 C ATOM 364 SG CYS A 26 -7.078 -0.512 -8.432 1.00 0.00 S ATOM 0 H CYS A 26 -5.651 1.796 -9.359 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.609 0.740 -11.945 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.208 -1.235 -10.724 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -5.565 -0.822 -10.278 1.00 0.00 H new ATOM 0 HG CYS A 26 -6.262 0.243 -7.758 1.00 0.00 H new ATOM 369 N LYS A 27 -8.283 2.365 -9.734 1.00 0.00 N ATOM 370 CA LYS A 27 -9.572 2.968 -9.418 1.00 0.00 C ATOM 371 C LYS A 27 -10.470 1.979 -8.681 1.00 0.00 C ATOM 372 O LYS A 27 -11.655 1.854 -8.988 1.00 0.00 O ATOM 373 CB LYS A 27 -10.263 3.445 -10.698 1.00 0.00 C ATOM 374 CG LYS A 27 -9.363 4.265 -11.606 1.00 0.00 C ATOM 375 CD LYS A 27 -9.064 5.630 -11.009 1.00 0.00 C ATOM 376 CE LYS A 27 -10.268 6.554 -11.099 1.00 0.00 C ATOM 377 NZ LYS A 27 -10.534 6.984 -12.500 1.00 0.00 N ATOM 0 H LYS A 27 -7.498 2.748 -9.207 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.394 3.824 -8.768 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.628 2.578 -11.249 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.135 4.042 -10.430 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.429 3.728 -11.775 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.841 4.389 -12.578 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.769 5.515 -9.966 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.219 6.079 -11.531 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.147 6.045 -10.702 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.099 7.432 -10.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.184 7.795 -12.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.640 7.259 -12.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.964 6.198 -13.029 1.00 0.00 H new ATOM 391 N SER A 28 -9.896 1.279 -7.708 1.00 0.00 N ATOM 392 CA SER A 28 -10.644 0.298 -6.929 1.00 0.00 C ATOM 393 C SER A 28 -10.594 0.634 -5.442 1.00 0.00 C ATOM 394 O SER A 28 -9.904 1.565 -5.026 1.00 0.00 O ATOM 395 CB SER A 28 -10.086 -1.106 -7.166 1.00 0.00 C ATOM 396 OG SER A 28 -9.836 -1.330 -8.543 1.00 0.00 O ATOM 0 H SER A 28 -8.916 1.372 -7.440 1.00 0.00 H new ATOM 0 HA SER A 28 -11.684 0.327 -7.256 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.163 -1.234 -6.600 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.793 -1.849 -6.796 1.00 0.00 H new ATOM 0 HG SER A 28 -9.008 -0.875 -8.803 1.00 0.00 H new ATOM 402 N VAL A 29 -11.330 -0.133 -4.643 1.00 0.00 N ATOM 403 CA VAL A 29 -11.370 0.081 -3.202 1.00 0.00 C ATOM 404 C VAL A 29 -10.226 -0.649 -2.507 1.00 0.00 C ATOM 405 O VAL A 29 -9.864 -1.762 -2.888 1.00 0.00 O ATOM 406 CB VAL A 29 -12.707 -0.393 -2.600 1.00 0.00 C ATOM 407 CG1 VAL A 29 -12.508 -0.879 -1.173 1.00 0.00 C ATOM 408 CG2 VAL A 29 -13.739 0.722 -2.654 1.00 0.00 C ATOM 0 H VAL A 29 -11.907 -0.908 -4.970 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.267 1.154 -3.038 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.077 -1.229 -3.194 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.463 -1.210 -0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.803 -1.711 -1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.115 -0.066 -0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.677 0.370 -2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.379 1.579 -2.085 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.902 1.017 -3.691 1.00 0.00 H new ATOM 418 N ILE A 30 -9.661 -0.014 -1.485 1.00 0.00 N ATOM 419 CA ILE A 30 -8.558 -0.603 -0.736 1.00 0.00 C ATOM 420 C ILE A 30 -9.007 -1.032 0.657 1.00 0.00 C ATOM 421 O ILE A 30 -8.923 -0.261 1.612 1.00 0.00 O ATOM 422 CB ILE A 30 -7.379 0.379 -0.603 1.00 0.00 C ATOM 423 CG1 ILE A 30 -6.891 0.813 -1.987 1.00 0.00 C ATOM 424 CG2 ILE A 30 -6.246 -0.258 0.188 1.00 0.00 C ATOM 425 CD1 ILE A 30 -6.097 2.101 -1.970 1.00 0.00 C ATOM 0 H ILE A 30 -9.949 0.908 -1.157 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.229 -1.479 -1.296 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.720 1.263 -0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.274 0.021 -2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.751 0.934 -2.645 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.420 0.448 0.274 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.602 -0.523 1.184 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.904 -1.156 -0.326 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.783 2.348 -2.984 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.718 2.906 -1.576 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.218 1.978 -1.338 1.00 0.00 H new ATOM 437 N ASN A 31 -9.483 -2.268 0.765 1.00 0.00 N ATOM 438 CA ASN A 31 -9.945 -2.800 2.042 1.00 0.00 C ATOM 439 C ASN A 31 -8.839 -2.735 3.091 1.00 0.00 C ATOM 440 O ASN A 31 -7.655 -2.833 2.768 1.00 0.00 O ATOM 441 CB ASN A 31 -10.419 -4.245 1.875 1.00 0.00 C ATOM 442 CG ASN A 31 -11.761 -4.336 1.174 1.00 0.00 C ATOM 443 OD1 ASN A 31 -12.809 -4.136 1.789 1.00 0.00 O ATOM 444 ND2 ASN A 31 -11.735 -4.638 -0.119 1.00 0.00 N ATOM 0 H ASN A 31 -9.559 -2.920 -0.016 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.780 -2.187 2.381 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.676 -4.805 1.306 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.491 -4.716 2.855 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.607 -4.712 -0.643 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.843 -4.796 -0.588 1.00 0.00 H new ATOM 451 N LYS A 32 -9.233 -2.568 4.349 1.00 0.00 N ATOM 452 CA LYS A 32 -8.276 -2.491 5.447 1.00 0.00 C ATOM 453 C LYS A 32 -7.501 -3.797 5.585 1.00 0.00 C ATOM 454 O LYS A 32 -7.906 -4.829 5.052 1.00 0.00 O ATOM 455 CB LYS A 32 -8.998 -2.173 6.758 1.00 0.00 C ATOM 456 CG LYS A 32 -9.626 -3.389 7.417 1.00 0.00 C ATOM 457 CD LYS A 32 -10.955 -3.045 8.070 1.00 0.00 C ATOM 458 CE LYS A 32 -10.774 -2.651 9.528 1.00 0.00 C ATOM 459 NZ LYS A 32 -11.803 -1.670 9.969 1.00 0.00 N ATOM 0 H LYS A 32 -10.209 -2.483 4.634 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.569 -1.691 5.225 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.290 -1.719 7.452 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.775 -1.433 6.565 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.777 -4.170 6.672 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.944 -3.791 8.167 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.427 -2.227 7.527 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.626 -3.901 8.004 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.829 -3.541 10.154 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.781 -2.224 9.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.930 -1.740 10.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.494 -0.708 9.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.705 -1.876 9.494 1.00 0.00 H new ATOM 473 N GLU A 33 -6.385 -3.744 6.306 1.00 0.00 N ATOM 474 CA GLU A 33 -5.554 -4.925 6.514 1.00 0.00 C ATOM 475 C GLU A 33 -4.794 -5.287 5.241 1.00 0.00 C ATOM 476 O GLU A 33 -4.418 -6.440 5.038 1.00 0.00 O ATOM 477 CB GLU A 33 -6.414 -6.108 6.962 1.00 0.00 C ATOM 478 CG GLU A 33 -7.513 -5.727 7.940 1.00 0.00 C ATOM 479 CD GLU A 33 -7.826 -6.834 8.927 1.00 0.00 C ATOM 480 OE1 GLU A 33 -7.792 -8.016 8.525 1.00 0.00 O ATOM 481 OE2 GLU A 33 -8.104 -6.519 10.103 1.00 0.00 O ATOM 0 H GLU A 33 -6.036 -2.897 6.755 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.830 -4.695 7.295 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.865 -6.571 6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.772 -6.858 7.424 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.214 -4.832 8.486 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.416 -5.474 7.385 1.00 0.00 H new ATOM 488 N ASN A 34 -4.574 -4.292 4.388 1.00 0.00 N ATOM 489 CA ASN A 34 -3.860 -4.505 3.134 1.00 0.00 C ATOM 490 C ASN A 34 -2.685 -3.540 3.006 1.00 0.00 C ATOM 491 O ASN A 34 -2.786 -2.370 3.374 1.00 0.00 O ATOM 492 CB ASN A 34 -4.810 -4.331 1.947 1.00 0.00 C ATOM 493 CG ASN A 34 -5.512 -5.622 1.574 1.00 0.00 C ATOM 494 OD1 ASN A 34 -4.874 -6.658 1.389 1.00 0.00 O ATOM 495 ND2 ASN A 34 -6.834 -5.564 1.461 1.00 0.00 N ATOM 0 H ASN A 34 -4.879 -3.331 4.542 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.472 -5.523 3.134 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.555 -3.573 2.189 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.249 -3.964 1.087 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.362 -6.400 1.212 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.322 -4.683 1.624 1.00 0.00 H new ATOM 502 N PHE A 35 -1.571 -4.040 2.481 1.00 0.00 N ATOM 503 CA PHE A 35 -0.376 -3.223 2.304 1.00 0.00 C ATOM 504 C PHE A 35 -0.507 -2.327 1.076 1.00 0.00 C ATOM 505 O PHE A 35 -0.447 -2.800 -0.059 1.00 0.00 O ATOM 506 CB PHE A 35 0.861 -4.113 2.172 1.00 0.00 C ATOM 507 CG PHE A 35 2.033 -3.420 1.538 1.00 0.00 C ATOM 508 CD1 PHE A 35 2.254 -2.069 1.752 1.00 0.00 C ATOM 509 CD2 PHE A 35 2.914 -4.119 0.729 1.00 0.00 C ATOM 510 CE1 PHE A 35 3.332 -1.428 1.171 1.00 0.00 C ATOM 511 CE2 PHE A 35 3.994 -3.484 0.146 1.00 0.00 C ATOM 512 CZ PHE A 35 4.203 -2.136 0.367 1.00 0.00 C ATOM 0 H PHE A 35 -1.471 -5.007 2.171 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.266 -2.589 3.184 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.151 -4.468 3.161 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.605 -4.992 1.580 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.576 -1.510 2.380 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.755 -5.172 0.552 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.493 -0.374 1.346 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.674 -4.041 -0.482 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.046 -1.637 -0.088 1.00 0.00 H new ATOM 522 N ARG A 36 -0.685 -1.032 1.312 1.00 0.00 N ATOM 523 CA ARG A 36 -0.826 -0.070 0.225 1.00 0.00 C ATOM 524 C ARG A 36 0.359 0.892 0.194 1.00 0.00 C ATOM 525 O ARG A 36 1.293 0.770 0.988 1.00 0.00 O ATOM 526 CB ARG A 36 -2.130 0.716 0.377 1.00 0.00 C ATOM 527 CG ARG A 36 -2.395 1.187 1.798 1.00 0.00 C ATOM 528 CD ARG A 36 -3.736 1.896 1.908 1.00 0.00 C ATOM 529 NE ARG A 36 -3.824 2.715 3.115 1.00 0.00 N ATOM 530 CZ ARG A 36 -4.951 3.271 3.544 1.00 0.00 C ATOM 531 NH1 ARG A 36 -6.079 3.097 2.869 1.00 0.00 N ATOM 532 NH2 ARG A 36 -4.952 4.003 4.651 1.00 0.00 N ATOM 0 H ARG A 36 -0.735 -0.624 2.246 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.850 -0.622 -0.715 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.102 1.582 -0.284 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.961 0.092 0.049 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.377 0.333 2.475 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.599 1.861 2.114 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.886 2.525 1.031 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.538 1.157 1.912 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.974 2.868 3.657 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.082 2.535 2.018 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.943 3.525 3.201 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.086 4.139 5.173 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.818 4.430 4.980 1.00 0.00 H new ATOM 546 N LEU A 37 0.315 1.846 -0.729 1.00 0.00 N ATOM 547 CA LEU A 37 1.385 2.829 -0.865 1.00 0.00 C ATOM 548 C LEU A 37 0.817 4.220 -1.128 1.00 0.00 C ATOM 549 O LEU A 37 -0.018 4.403 -2.013 1.00 0.00 O ATOM 550 CB LEU A 37 2.330 2.428 -1.999 1.00 0.00 C ATOM 551 CG LEU A 37 3.355 1.344 -1.668 1.00 0.00 C ATOM 552 CD1 LEU A 37 4.149 0.962 -2.907 1.00 0.00 C ATOM 553 CD2 LEU A 37 4.287 1.812 -0.559 1.00 0.00 C ATOM 0 H LEU A 37 -0.450 1.960 -1.394 1.00 0.00 H new ATOM 0 HA LEU A 37 1.942 2.856 0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.729 2.086 -2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.866 3.318 -2.330 1.00 0.00 H new ATOM 0 HG LEU A 37 2.820 0.461 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.874 0.189 -2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.470 0.584 -3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.673 1.839 -3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.010 1.028 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.814 2.710 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.705 2.034 0.336 1.00 0.00 H new ATOM 565 N GLY A 38 1.278 5.198 -0.354 1.00 0.00 N ATOM 566 CA GLY A 38 0.806 6.560 -0.521 1.00 0.00 C ATOM 567 C GLY A 38 1.909 7.507 -0.949 1.00 0.00 C ATOM 568 O GLY A 38 2.919 7.650 -0.259 1.00 0.00 O ATOM 0 H GLY A 38 1.969 5.071 0.385 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.009 6.576 -1.264 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.375 6.910 0.417 1.00 0.00 H new ATOM 572 N LYS A 39 1.719 8.156 -2.093 1.00 0.00 N ATOM 573 CA LYS A 39 2.705 9.095 -2.614 1.00 0.00 C ATOM 574 C LYS A 39 2.517 10.479 -2.000 1.00 0.00 C ATOM 575 O LYS A 39 1.630 11.233 -2.403 1.00 0.00 O ATOM 576 CB LYS A 39 2.600 9.183 -4.138 1.00 0.00 C ATOM 577 CG LYS A 39 3.704 10.008 -4.777 1.00 0.00 C ATOM 578 CD LYS A 39 3.748 9.809 -6.283 1.00 0.00 C ATOM 579 CE LYS A 39 5.140 10.066 -6.839 1.00 0.00 C ATOM 580 NZ LYS A 39 5.095 10.551 -8.246 1.00 0.00 N ATOM 0 H LYS A 39 0.890 8.048 -2.677 1.00 0.00 H new ATOM 0 HA LYS A 39 3.696 8.729 -2.344 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.623 8.176 -4.554 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.635 9.615 -4.403 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.547 11.063 -4.553 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.665 9.729 -4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.440 8.792 -6.526 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.035 10.480 -6.761 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.649 10.803 -6.217 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.726 9.148 -6.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.063 10.714 -8.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.632 9.837 -8.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.558 11.441 -8.290 1.00 0.00 H new ATOM 594 N LEU A 40 3.357 10.807 -1.024 1.00 0.00 N ATOM 595 CA LEU A 40 3.284 12.102 -0.356 1.00 0.00 C ATOM 596 C LEU A 40 3.780 13.216 -1.271 1.00 0.00 C ATOM 597 O LEU A 40 4.978 13.336 -1.529 1.00 0.00 O ATOM 598 CB LEU A 40 4.108 12.080 0.932 1.00 0.00 C ATOM 599 CG LEU A 40 3.838 10.912 1.882 1.00 0.00 C ATOM 600 CD1 LEU A 40 4.735 11.002 3.107 1.00 0.00 C ATOM 601 CD2 LEU A 40 2.373 10.887 2.292 1.00 0.00 C ATOM 0 H LEU A 40 4.096 10.195 -0.678 1.00 0.00 H new ATOM 0 HA LEU A 40 2.240 12.298 -0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.164 12.067 0.664 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.927 13.010 1.471 1.00 0.00 H new ATOM 0 HG LEU A 40 4.065 9.983 1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.529 10.163 3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.779 10.971 2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.541 11.937 3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.199 10.050 2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.120 11.820 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.749 10.774 1.406 1.00 0.00 H new ATOM 613 N VAL A 41 2.851 14.032 -1.760 1.00 0.00 N ATOM 614 CA VAL A 41 3.194 15.139 -2.644 1.00 0.00 C ATOM 615 C VAL A 41 2.901 16.481 -1.983 1.00 0.00 C ATOM 616 O VAL A 41 1.864 16.656 -1.343 1.00 0.00 O ATOM 617 CB VAL A 41 2.421 15.055 -3.974 1.00 0.00 C ATOM 618 CG1 VAL A 41 2.800 13.793 -4.733 1.00 0.00 C ATOM 619 CG2 VAL A 41 0.922 15.106 -3.722 1.00 0.00 C ATOM 0 H VAL A 41 1.855 13.947 -1.558 1.00 0.00 H new ATOM 0 HA VAL A 41 4.262 15.063 -2.847 1.00 0.00 H new ATOM 0 HB VAL A 41 2.693 15.914 -4.588 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.244 13.751 -5.670 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.869 13.804 -4.946 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.559 12.919 -4.128 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.391 15.046 -4.672 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.631 14.267 -3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.668 16.042 -3.224 1.00 0.00 H new ATOM 777 N MET A 52 -1.546 10.055 -2.190 1.00 0.00 N ATOM 778 CA MET A 52 -2.124 9.254 -3.263 1.00 0.00 C ATOM 779 C MET A 52 -2.128 7.773 -2.894 1.00 0.00 C ATOM 780 O MET A 52 -1.127 7.078 -3.068 1.00 0.00 O ATOM 781 CB MET A 52 -1.345 9.465 -4.562 1.00 0.00 C ATOM 782 CG MET A 52 -1.225 10.925 -4.968 1.00 0.00 C ATOM 783 SD MET A 52 -0.909 11.133 -6.731 1.00 0.00 S ATOM 784 CE MET A 52 -2.198 12.296 -7.171 1.00 0.00 C ATOM 0 HA MET A 52 -3.155 9.577 -3.409 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.346 9.044 -4.449 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.835 8.912 -5.364 1.00 0.00 H new ATOM 0 HG2 MET A 52 -2.144 11.448 -4.704 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.419 11.390 -4.401 1.00 0.00 H new ATOM 0 HE1 MET A 52 -2.134 12.525 -8.235 1.00 0.00 H new ATOM 0 HE2 MET A 52 -3.172 11.859 -6.951 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.073 13.213 -6.595 1.00 0.00 H new ATOM 794 N TRP A 53 -3.259 7.299 -2.384 1.00 0.00 N ATOM 795 CA TRP A 53 -3.392 5.901 -1.990 1.00 0.00 C ATOM 796 C TRP A 53 -3.454 4.994 -3.214 1.00 0.00 C ATOM 797 O TRP A 53 -4.273 5.199 -4.109 1.00 0.00 O ATOM 798 CB TRP A 53 -4.644 5.708 -1.133 1.00 0.00 C ATOM 799 CG TRP A 53 -4.558 6.379 0.204 1.00 0.00 C ATOM 800 CD1 TRP A 53 -5.452 7.263 0.737 1.00 0.00 C ATOM 801 CD2 TRP A 53 -3.519 6.221 1.177 1.00 0.00 C ATOM 802 NE1 TRP A 53 -5.032 7.665 1.982 1.00 0.00 N ATOM 803 CE2 TRP A 53 -3.849 7.039 2.275 1.00 0.00 C ATOM 804 CE3 TRP A 53 -2.344 5.467 1.228 1.00 0.00 C ATOM 805 CZ2 TRP A 53 -3.044 7.123 3.409 1.00 0.00 C ATOM 806 CZ3 TRP A 53 -1.546 5.552 2.353 1.00 0.00 C ATOM 807 CH2 TRP A 53 -1.899 6.374 3.431 1.00 0.00 C ATOM 0 H TRP A 53 -4.097 7.861 -2.234 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.514 5.630 -1.404 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.508 6.097 -1.672 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.814 4.641 -0.986 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.357 7.597 0.251 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -5.521 8.322 2.589 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.064 4.829 0.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -3.314 7.757 4.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.635 4.975 2.402 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.255 6.417 4.297 1.00 0.00 H new ATOM 818 N ASN A 54 -2.583 3.991 -3.247 1.00 0.00 N ATOM 819 CA ASN A 54 -2.540 3.053 -4.363 1.00 0.00 C ATOM 820 C ASN A 54 -2.020 1.692 -3.910 1.00 0.00 C ATOM 821 O ASN A 54 -1.034 1.637 -3.177 1.00 0.00 O ATOM 822 CB ASN A 54 -1.654 3.601 -5.484 1.00 0.00 C ATOM 823 CG ASN A 54 -1.947 5.057 -5.792 1.00 0.00 C ATOM 824 OD1 ASN A 54 -2.949 5.379 -6.430 1.00 0.00 O ATOM 825 ND2 ASN A 54 -1.071 5.946 -5.338 1.00 0.00 N ATOM 0 H ASN A 54 -1.898 3.807 -2.514 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.556 2.928 -4.739 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.607 3.496 -5.200 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.802 3.005 -6.385 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.216 6.940 -5.514 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.254 5.635 -4.813 1.00 0.00 H new ATOM 832 N HIS A 55 -2.688 0.635 -4.350 1.00 0.00 N ATOM 833 CA HIS A 55 -2.283 -0.711 -3.983 1.00 0.00 C ATOM 834 C HIS A 55 -0.778 -0.872 -4.201 1.00 0.00 C ATOM 835 O HIS A 55 -0.228 -0.522 -5.244 1.00 0.00 O ATOM 836 CB HIS A 55 -3.107 -1.752 -4.745 1.00 0.00 C ATOM 837 CG HIS A 55 -4.592 -1.673 -4.481 1.00 0.00 C ATOM 838 ND1 HIS A 55 -5.482 -1.103 -5.374 1.00 0.00 N ATOM 839 CD2 HIS A 55 -5.332 -2.098 -3.417 1.00 0.00 C ATOM 840 CE1 HIS A 55 -6.701 -1.185 -4.860 1.00 0.00 C ATOM 841 NE2 HIS A 55 -6.605 -1.802 -3.647 1.00 0.00 N ATOM 0 H HIS A 55 -3.506 0.684 -4.957 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.481 -0.878 -2.924 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.931 -1.628 -5.814 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.753 -2.748 -4.477 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -5.241 -0.690 -6.275 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -4.947 -2.592 -2.537 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.610 -0.827 -5.320 1.00 0.00 H new ATOM 849 N ALA A 56 -0.118 -1.416 -3.183 1.00 0.00 N ATOM 850 CA ALA A 56 1.321 -1.638 -3.237 1.00 0.00 C ATOM 851 C ALA A 56 1.716 -2.377 -4.511 1.00 0.00 C ATOM 852 O ALA A 56 2.864 -2.310 -4.949 1.00 0.00 O ATOM 853 CB ALA A 56 1.782 -2.412 -2.011 1.00 0.00 C ATOM 0 H ALA A 56 -0.558 -1.711 -2.311 1.00 0.00 H new ATOM 0 HA ALA A 56 1.813 -0.665 -3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.859 -2.571 -2.065 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.543 -1.845 -1.111 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.274 -3.376 -1.977 1.00 0.00 H new ATOM 859 N SER A 57 0.757 -3.083 -5.101 1.00 0.00 N ATOM 860 CA SER A 57 1.005 -3.839 -6.322 1.00 0.00 C ATOM 861 C SER A 57 0.715 -2.990 -7.556 1.00 0.00 C ATOM 862 O SER A 57 1.243 -3.245 -8.638 1.00 0.00 O ATOM 863 CB SER A 57 0.147 -5.106 -6.347 1.00 0.00 C ATOM 864 OG SER A 57 0.431 -5.892 -7.492 1.00 0.00 O ATOM 0 H SER A 57 -0.200 -3.147 -4.753 1.00 0.00 H new ATOM 0 HA SER A 57 2.058 -4.122 -6.336 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.331 -5.691 -5.446 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.909 -4.834 -6.341 1.00 0.00 H new ATOM 0 HG SER A 57 -0.129 -6.696 -7.484 1.00 0.00 H new ATOM 870 N CYS A 58 -0.130 -1.978 -7.384 1.00 0.00 N ATOM 871 CA CYS A 58 -0.493 -1.090 -8.482 1.00 0.00 C ATOM 872 C CYS A 58 0.644 -0.122 -8.797 1.00 0.00 C ATOM 873 O CYS A 58 0.792 0.329 -9.933 1.00 0.00 O ATOM 874 CB CYS A 58 -1.761 -0.308 -8.134 1.00 0.00 C ATOM 875 SG CYS A 58 -3.302 -1.254 -8.356 1.00 0.00 S ATOM 0 H CYS A 58 -0.576 -1.753 -6.495 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.681 -1.701 -9.364 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.697 0.024 -7.098 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.804 0.588 -8.754 1.00 0.00 H new ATOM 0 HG CYS A 58 -3.518 -1.439 -9.624 1.00 0.00 H new ATOM 880 N ILE A 59 1.445 0.191 -7.784 1.00 0.00 N ATOM 881 CA ILE A 59 2.569 1.104 -7.953 1.00 0.00 C ATOM 882 C ILE A 59 3.833 0.351 -8.354 1.00 0.00 C ATOM 883 O ILE A 59 4.459 0.661 -9.368 1.00 0.00 O ATOM 884 CB ILE A 59 2.846 1.900 -6.664 1.00 0.00 C ATOM 885 CG1 ILE A 59 1.599 2.679 -6.242 1.00 0.00 C ATOM 886 CG2 ILE A 59 4.022 2.844 -6.868 1.00 0.00 C ATOM 887 CD1 ILE A 59 1.319 3.888 -7.107 1.00 0.00 C ATOM 0 H ILE A 59 1.337 -0.174 -6.838 1.00 0.00 H new ATOM 0 HA ILE A 59 2.295 1.798 -8.747 1.00 0.00 H new ATOM 0 HB ILE A 59 3.100 1.199 -5.869 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.737 2.013 -6.273 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.715 3.002 -5.207 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.206 3.400 -5.949 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.910 2.268 -7.128 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.793 3.541 -7.674 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.421 4.391 -6.749 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.164 4.575 -7.057 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.170 3.570 -8.139 1.00 0.00 H new ATOM 899 N LEU A 60 4.202 -0.642 -7.552 1.00 0.00 N ATOM 900 CA LEU A 60 5.391 -1.442 -7.823 1.00 0.00 C ATOM 901 C LEU A 60 5.396 -1.939 -9.266 1.00 0.00 C ATOM 902 O LEU A 60 6.454 -2.110 -9.871 1.00 0.00 O ATOM 903 CB LEU A 60 5.460 -2.631 -6.863 1.00 0.00 C ATOM 904 CG LEU A 60 5.670 -2.290 -5.387 1.00 0.00 C ATOM 905 CD1 LEU A 60 5.493 -3.529 -4.523 1.00 0.00 C ATOM 906 CD2 LEU A 60 7.047 -1.680 -5.172 1.00 0.00 C ATOM 0 H LEU A 60 3.695 -0.912 -6.709 1.00 0.00 H new ATOM 0 HA LEU A 60 6.266 -0.810 -7.672 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.536 -3.201 -6.956 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.271 -3.285 -7.183 1.00 0.00 H new ATOM 0 HG LEU A 60 4.919 -1.556 -5.092 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.646 -3.267 -3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.486 -3.924 -4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.220 -4.285 -4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.179 -1.443 -4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.812 -2.391 -5.483 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.137 -0.768 -5.762 1.00 0.00 H new ATOM 918 N LYS A 61 4.206 -2.166 -9.812 1.00 0.00 N ATOM 919 CA LYS A 61 4.072 -2.639 -11.184 1.00 0.00 C ATOM 920 C LYS A 61 4.451 -1.544 -12.177 1.00 0.00 C ATOM 921 O LYS A 61 4.923 -1.827 -13.278 1.00 0.00 O ATOM 922 CB LYS A 61 2.638 -3.104 -11.447 1.00 0.00 C ATOM 923 CG LYS A 61 1.630 -1.969 -11.502 1.00 0.00 C ATOM 924 CD LYS A 61 0.447 -2.316 -12.391 1.00 0.00 C ATOM 925 CE LYS A 61 -0.637 -1.252 -12.316 1.00 0.00 C ATOM 926 NZ LYS A 61 -0.436 -0.183 -13.333 1.00 0.00 N ATOM 0 H LYS A 61 3.320 -2.030 -9.325 1.00 0.00 H new ATOM 0 HA LYS A 61 4.752 -3.480 -11.319 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.609 -3.650 -12.390 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.343 -3.803 -10.665 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.277 -1.746 -10.495 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.116 -1.068 -11.876 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.784 -2.422 -13.422 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.035 -3.279 -12.090 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.612 -1.716 -12.465 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.643 -0.809 -11.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.576 0.748 -12.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.530 -0.244 -13.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.121 -0.305 -14.105 1.00 0.00 H new ATOM 940 N LYS A 62 4.245 -0.293 -11.779 1.00 0.00 N ATOM 941 CA LYS A 62 4.568 0.845 -12.631 1.00 0.00 C ATOM 942 C LYS A 62 6.076 1.066 -12.694 1.00 0.00 C ATOM 943 O LYS A 62 6.852 0.290 -12.137 1.00 0.00 O ATOM 944 CB LYS A 62 3.877 2.108 -12.114 1.00 0.00 C ATOM 945 CG LYS A 62 2.368 2.093 -12.291 1.00 0.00 C ATOM 946 CD LYS A 62 1.758 3.451 -11.990 1.00 0.00 C ATOM 947 CE LYS A 62 1.670 3.703 -10.493 1.00 0.00 C ATOM 948 NZ LYS A 62 1.334 5.121 -10.187 1.00 0.00 N ATOM 0 H LYS A 62 3.855 -0.042 -10.871 1.00 0.00 H new ATOM 0 HA LYS A 62 4.208 0.628 -13.637 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.109 2.232 -11.056 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.287 2.974 -12.633 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.123 1.802 -13.312 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.931 1.343 -11.632 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.358 4.232 -12.457 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.762 3.509 -12.429 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.914 3.049 -10.059 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.620 3.446 -10.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.133 5.568 -9.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.145 5.632 -11.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.490 5.155 -9.581 1.00 0.00 H new ATOM 962 N THR A 63 6.485 2.132 -13.376 1.00 0.00 N ATOM 963 CA THR A 63 7.899 2.456 -13.511 1.00 0.00 C ATOM 964 C THR A 63 8.200 3.846 -12.961 1.00 0.00 C ATOM 965 O THR A 63 7.322 4.708 -12.909 1.00 0.00 O ATOM 966 CB THR A 63 8.353 2.389 -14.982 1.00 0.00 C ATOM 967 OG1 THR A 63 7.572 1.421 -15.692 1.00 0.00 O ATOM 968 CG2 THR A 63 9.827 2.028 -15.077 1.00 0.00 C ATOM 0 H THR A 63 5.856 2.785 -13.843 1.00 0.00 H new ATOM 0 HA THR A 63 8.450 1.713 -12.934 1.00 0.00 H new ATOM 0 HB THR A 63 8.207 3.372 -15.430 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.865 1.386 -16.626 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.125 1.987 -16.125 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.420 2.783 -14.561 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.994 1.056 -14.614 1.00 0.00 H new ATOM 976 N LYS A 64 9.446 4.058 -12.551 1.00 0.00 N ATOM 977 CA LYS A 64 9.864 5.344 -12.007 1.00 0.00 C ATOM 978 C LYS A 64 8.922 5.796 -10.895 1.00 0.00 C ATOM 979 O LYS A 64 8.407 6.913 -10.924 1.00 0.00 O ATOM 980 CB LYS A 64 9.908 6.400 -13.113 1.00 0.00 C ATOM 981 CG LYS A 64 10.865 6.058 -14.242 1.00 0.00 C ATOM 982 CD LYS A 64 11.344 7.306 -14.965 1.00 0.00 C ATOM 983 CE LYS A 64 11.728 7.003 -16.405 1.00 0.00 C ATOM 984 NZ LYS A 64 11.814 8.241 -17.228 1.00 0.00 N ATOM 0 H LYS A 64 10.184 3.355 -12.585 1.00 0.00 H new ATOM 0 HA LYS A 64 10.863 5.225 -11.588 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.906 6.527 -13.523 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.198 7.357 -12.679 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.722 5.517 -13.842 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.371 5.393 -14.950 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.559 8.062 -14.948 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.202 7.726 -14.439 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.688 6.487 -16.424 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.994 6.327 -16.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.078 7.992 -18.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.891 8.721 -17.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.533 8.876 -16.826 1.00 0.00 H new ATOM 998 N GLN A 65 8.704 4.922 -9.918 1.00 0.00 N ATOM 999 CA GLN A 65 7.825 5.233 -8.798 1.00 0.00 C ATOM 1000 C GLN A 65 8.629 5.458 -7.521 1.00 0.00 C ATOM 1001 O GLN A 65 8.454 6.465 -6.835 1.00 0.00 O ATOM 1002 CB GLN A 65 6.814 4.105 -8.586 1.00 0.00 C ATOM 1003 CG GLN A 65 5.962 3.814 -9.811 1.00 0.00 C ATOM 1004 CD GLN A 65 4.792 4.769 -9.948 1.00 0.00 C ATOM 1005 OE1 GLN A 65 4.210 5.203 -8.953 1.00 0.00 O ATOM 1006 NE2 GLN A 65 4.442 5.103 -11.184 1.00 0.00 N ATOM 0 H GLN A 65 9.124 3.993 -9.880 1.00 0.00 H new ATOM 0 HA GLN A 65 7.288 6.152 -9.035 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.348 3.198 -8.301 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.161 4.365 -7.753 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.583 3.876 -10.704 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.587 2.792 -9.754 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.952 4.720 -11.980 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.663 5.743 -11.338 1.00 0.00 H new ATOM 1015 N ILE A 66 9.509 4.513 -7.208 1.00 0.00 N ATOM 1016 CA ILE A 66 10.340 4.609 -6.015 1.00 0.00 C ATOM 1017 C ILE A 66 11.821 4.508 -6.366 1.00 0.00 C ATOM 1018 O ILE A 66 12.208 3.761 -7.265 1.00 0.00 O ATOM 1019 CB ILE A 66 9.990 3.509 -4.995 1.00 0.00 C ATOM 1020 CG1 ILE A 66 8.502 3.564 -4.645 1.00 0.00 C ATOM 1021 CG2 ILE A 66 10.841 3.657 -3.743 1.00 0.00 C ATOM 1022 CD1 ILE A 66 8.039 2.403 -3.792 1.00 0.00 C ATOM 0 H ILE A 66 9.665 3.672 -7.764 1.00 0.00 H new ATOM 0 HA ILE A 66 10.140 5.584 -5.570 1.00 0.00 H new ATOM 0 HB ILE A 66 10.203 2.538 -5.442 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.295 4.496 -4.119 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.921 3.582 -5.567 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.582 2.872 -3.032 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.895 3.573 -4.008 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.657 4.632 -3.291 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.974 2.507 -3.583 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.214 1.468 -4.324 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.594 2.396 -2.854 1.00 0.00 H new ATOM 1034 N LYS A 67 12.646 5.264 -5.649 1.00 0.00 N ATOM 1035 CA LYS A 67 14.085 5.259 -5.882 1.00 0.00 C ATOM 1036 C LYS A 67 14.768 4.186 -5.039 1.00 0.00 C ATOM 1037 O LYS A 67 15.623 3.449 -5.530 1.00 0.00 O ATOM 1038 CB LYS A 67 14.680 6.632 -5.559 1.00 0.00 C ATOM 1039 CG LYS A 67 16.155 6.751 -5.901 1.00 0.00 C ATOM 1040 CD LYS A 67 16.587 8.204 -6.003 1.00 0.00 C ATOM 1041 CE LYS A 67 18.008 8.327 -6.533 1.00 0.00 C ATOM 1042 NZ LYS A 67 18.377 9.743 -6.807 1.00 0.00 N ATOM 0 H LYS A 67 12.342 5.888 -4.902 1.00 0.00 H new ATOM 0 HA LYS A 67 14.257 5.034 -6.935 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.126 7.396 -6.105 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.544 6.837 -4.497 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.748 6.247 -5.138 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.353 6.244 -6.846 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.904 8.742 -6.660 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.522 8.674 -5.022 1.00 0.00 H new ATOM 0 HE2 LYS A 67 18.704 7.904 -5.808 1.00 0.00 H new ATOM 0 HE3 LYS A 67 18.106 7.743 -7.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.352 9.784 -7.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.729 10.139 -7.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.308 10.296 -5.929 1.00 0.00 H new ATOM 1056 N SER A 68 14.385 4.105 -3.769 1.00 0.00 N ATOM 1057 CA SER A 68 14.963 3.124 -2.858 1.00 0.00 C ATOM 1058 C SER A 68 14.062 2.913 -1.645 1.00 0.00 C ATOM 1059 O SER A 68 13.279 3.789 -1.279 1.00 0.00 O ATOM 1060 CB SER A 68 16.352 3.575 -2.403 1.00 0.00 C ATOM 1061 OG SER A 68 17.062 2.507 -1.800 1.00 0.00 O ATOM 0 H SER A 68 13.677 4.707 -3.348 1.00 0.00 H new ATOM 0 HA SER A 68 15.053 2.178 -3.392 1.00 0.00 H new ATOM 0 HB2 SER A 68 16.913 3.953 -3.258 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.257 4.398 -1.695 1.00 0.00 H new ATOM 0 HG SER A 68 17.947 2.820 -1.519 1.00 0.00 H new ATOM 1067 N VAL A 69 14.179 1.742 -1.025 1.00 0.00 N ATOM 1068 CA VAL A 69 13.377 1.415 0.147 1.00 0.00 C ATOM 1069 C VAL A 69 13.547 2.464 1.240 1.00 0.00 C ATOM 1070 O VAL A 69 12.717 2.576 2.143 1.00 0.00 O ATOM 1071 CB VAL A 69 13.751 0.033 0.715 1.00 0.00 C ATOM 1072 CG1 VAL A 69 13.300 -1.072 -0.228 1.00 0.00 C ATOM 1073 CG2 VAL A 69 15.248 -0.051 0.969 1.00 0.00 C ATOM 0 H VAL A 69 14.821 1.005 -1.316 1.00 0.00 H new ATOM 0 HA VAL A 69 12.336 1.397 -0.177 1.00 0.00 H new ATOM 0 HB VAL A 69 13.236 -0.101 1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.573 -2.041 0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 69 12.219 -1.023 -0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 69 13.785 -0.945 -1.196 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.494 -1.034 1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.785 0.104 0.033 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.539 0.717 1.686 1.00 0.00 H new ATOM 1083 N ASP A 70 14.628 3.231 1.153 1.00 0.00 N ATOM 1084 CA ASP A 70 14.907 4.274 2.134 1.00 0.00 C ATOM 1085 C ASP A 70 13.950 5.450 1.964 1.00 0.00 C ATOM 1086 O ASP A 70 13.693 6.195 2.910 1.00 0.00 O ATOM 1087 CB ASP A 70 16.353 4.754 2.002 1.00 0.00 C ATOM 1088 CG ASP A 70 16.822 5.522 3.222 1.00 0.00 C ATOM 1089 OD1 ASP A 70 16.333 6.651 3.436 1.00 0.00 O ATOM 1090 OD2 ASP A 70 17.677 4.994 3.963 1.00 0.00 O ATOM 0 H ASP A 70 15.326 3.150 0.413 1.00 0.00 H new ATOM 0 HA ASP A 70 14.762 3.852 3.128 1.00 0.00 H new ATOM 0 HB2 ASP A 70 17.005 3.895 1.844 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.443 5.388 1.120 1.00 0.00 H new ATOM 1095 N ASP A 71 13.427 5.610 0.753 1.00 0.00 N ATOM 1096 CA ASP A 71 12.499 6.696 0.460 1.00 0.00 C ATOM 1097 C ASP A 71 11.098 6.364 0.964 1.00 0.00 C ATOM 1098 O ASP A 71 10.234 7.237 1.048 1.00 0.00 O ATOM 1099 CB ASP A 71 12.461 6.970 -1.045 1.00 0.00 C ATOM 1100 CG ASP A 71 13.679 7.734 -1.525 1.00 0.00 C ATOM 1101 OD1 ASP A 71 14.723 7.676 -0.841 1.00 0.00 O ATOM 1102 OD2 ASP A 71 13.589 8.388 -2.584 1.00 0.00 O ATOM 0 H ASP A 71 13.630 5.002 -0.041 1.00 0.00 H new ATOM 0 HA ASP A 71 12.849 7.590 0.976 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.394 6.024 -1.582 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.562 7.537 -1.286 1.00 0.00 H new ATOM 1107 N VAL A 72 10.880 5.096 1.298 1.00 0.00 N ATOM 1108 CA VAL A 72 9.584 4.649 1.795 1.00 0.00 C ATOM 1109 C VAL A 72 9.555 4.631 3.319 1.00 0.00 C ATOM 1110 O VAL A 72 10.411 4.021 3.958 1.00 0.00 O ATOM 1111 CB VAL A 72 9.236 3.243 1.269 1.00 0.00 C ATOM 1112 CG1 VAL A 72 7.800 2.883 1.617 1.00 0.00 C ATOM 1113 CG2 VAL A 72 9.466 3.164 -0.232 1.00 0.00 C ATOM 0 H VAL A 72 11.584 4.360 1.233 1.00 0.00 H new ATOM 0 HA VAL A 72 8.843 5.360 1.429 1.00 0.00 H new ATOM 0 HB VAL A 72 9.893 2.520 1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.572 1.887 1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.674 2.897 2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.123 3.607 1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.215 2.164 -0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.835 3.896 -0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.513 3.375 -0.451 1.00 0.00 H new ATOM 1123 N GLU A 73 8.565 5.305 3.895 1.00 0.00 N ATOM 1124 CA GLU A 73 8.425 5.367 5.345 1.00 0.00 C ATOM 1125 C GLU A 73 7.514 4.253 5.852 1.00 0.00 C ATOM 1126 O GLU A 73 6.691 3.722 5.107 1.00 0.00 O ATOM 1127 CB GLU A 73 7.869 6.728 5.769 1.00 0.00 C ATOM 1128 CG GLU A 73 7.917 6.964 7.269 1.00 0.00 C ATOM 1129 CD GLU A 73 7.299 8.290 7.670 1.00 0.00 C ATOM 1130 OE1 GLU A 73 6.054 8.373 7.722 1.00 0.00 O ATOM 1131 OE2 GLU A 73 8.061 9.243 7.934 1.00 0.00 O ATOM 0 H GLU A 73 7.848 5.816 3.380 1.00 0.00 H new ATOM 0 HA GLU A 73 9.413 5.233 5.785 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.434 7.514 5.268 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.837 6.811 5.429 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.393 6.155 7.778 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.953 6.934 7.605 1.00 0.00 H new ATOM 1138 N GLY A 74 7.668 3.903 7.125 1.00 0.00 N ATOM 1139 CA GLY A 74 6.854 2.854 7.710 1.00 0.00 C ATOM 1140 C GLY A 74 7.036 1.521 7.012 1.00 0.00 C ATOM 1141 O GLY A 74 6.289 0.575 7.262 1.00 0.00 O ATOM 0 H GLY A 74 8.342 4.327 7.762 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.109 2.746 8.764 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.804 3.144 7.664 1.00 0.00 H new ATOM 1145 N ILE A 75 8.030 1.446 6.133 1.00 0.00 N ATOM 1146 CA ILE A 75 8.307 0.219 5.396 1.00 0.00 C ATOM 1147 C ILE A 75 8.767 -0.893 6.333 1.00 0.00 C ATOM 1148 O ILE A 75 8.672 -2.074 6.002 1.00 0.00 O ATOM 1149 CB ILE A 75 9.381 0.442 4.315 1.00 0.00 C ATOM 1150 CG1 ILE A 75 9.432 -0.754 3.362 1.00 0.00 C ATOM 1151 CG2 ILE A 75 10.740 0.673 4.958 1.00 0.00 C ATOM 1152 CD1 ILE A 75 10.280 -0.511 2.133 1.00 0.00 C ATOM 0 H ILE A 75 8.657 2.220 5.914 1.00 0.00 H new ATOM 0 HA ILE A 75 7.375 -0.077 4.915 1.00 0.00 H new ATOM 0 HB ILE A 75 9.118 1.330 3.740 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.823 -1.619 3.898 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.418 -1.004 3.050 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.488 0.829 4.181 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.694 1.553 5.600 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.013 -0.197 5.555 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.271 -1.400 1.503 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.877 0.334 1.574 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.304 -0.291 2.435 1.00 0.00 H new ATOM 1164 N GLU A 76 9.264 -0.505 7.503 1.00 0.00 N ATOM 1165 CA GLU A 76 9.738 -1.471 8.488 1.00 0.00 C ATOM 1166 C GLU A 76 8.568 -2.110 9.230 1.00 0.00 C ATOM 1167 O GLU A 76 8.727 -3.130 9.901 1.00 0.00 O ATOM 1168 CB GLU A 76 10.680 -0.794 9.486 1.00 0.00 C ATOM 1169 CG GLU A 76 10.068 0.412 10.179 1.00 0.00 C ATOM 1170 CD GLU A 76 10.841 0.829 11.415 1.00 0.00 C ATOM 1171 OE1 GLU A 76 11.047 -0.026 12.301 1.00 0.00 O ATOM 1172 OE2 GLU A 76 11.240 2.010 11.496 1.00 0.00 O ATOM 0 H GLU A 76 9.349 0.470 7.792 1.00 0.00 H new ATOM 0 HA GLU A 76 10.282 -2.254 7.959 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.981 -1.522 10.240 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.585 -0.482 8.965 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.030 1.247 9.480 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.040 0.183 10.458 1.00 0.00 H new ATOM 1179 N SER A 77 7.392 -1.503 9.104 1.00 0.00 N ATOM 1180 CA SER A 77 6.195 -2.009 9.766 1.00 0.00 C ATOM 1181 C SER A 77 5.446 -2.984 8.862 1.00 0.00 C ATOM 1182 O SER A 77 4.483 -3.625 9.283 1.00 0.00 O ATOM 1183 CB SER A 77 5.276 -0.852 10.159 1.00 0.00 C ATOM 1184 OG SER A 77 4.004 -1.326 10.565 1.00 0.00 O ATOM 0 H SER A 77 7.243 -0.660 8.549 1.00 0.00 H new ATOM 0 HA SER A 77 6.504 -2.539 10.667 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.730 -0.282 10.969 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.162 -0.172 9.315 1.00 0.00 H new ATOM 0 HG SER A 77 3.991 -2.305 10.522 1.00 0.00 H new ATOM 1190 N LEU A 78 5.896 -3.091 7.616 1.00 0.00 N ATOM 1191 CA LEU A 78 5.270 -3.987 6.651 1.00 0.00 C ATOM 1192 C LEU A 78 5.781 -5.414 6.821 1.00 0.00 C ATOM 1193 O LEU A 78 6.883 -5.633 7.323 1.00 0.00 O ATOM 1194 CB LEU A 78 5.541 -3.503 5.225 1.00 0.00 C ATOM 1195 CG LEU A 78 5.288 -2.018 4.961 1.00 0.00 C ATOM 1196 CD1 LEU A 78 5.553 -1.683 3.502 1.00 0.00 C ATOM 1197 CD2 LEU A 78 3.864 -1.643 5.346 1.00 0.00 C ATOM 0 H LEU A 78 6.692 -2.568 7.251 1.00 0.00 H new ATOM 0 HA LEU A 78 4.195 -3.982 6.832 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.580 -3.723 4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.921 -4.084 4.542 1.00 0.00 H new ATOM 0 HG LEU A 78 5.975 -1.437 5.577 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.368 -0.622 3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.590 -1.914 3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.891 -2.273 2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.702 -0.583 5.151 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.161 -2.232 4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.708 -1.845 6.406 1.00 0.00 H new ATOM 1209 N ARG A 79 4.973 -6.381 6.399 1.00 0.00 N ATOM 1210 CA ARG A 79 5.344 -7.787 6.503 1.00 0.00 C ATOM 1211 C ARG A 79 6.567 -8.092 5.644 1.00 0.00 C ATOM 1212 O ARG A 79 6.743 -7.515 4.571 1.00 0.00 O ATOM 1213 CB ARG A 79 4.174 -8.678 6.079 1.00 0.00 C ATOM 1214 CG ARG A 79 3.061 -8.753 7.111 1.00 0.00 C ATOM 1215 CD ARG A 79 3.508 -9.498 8.360 1.00 0.00 C ATOM 1216 NE ARG A 79 4.153 -8.611 9.324 1.00 0.00 N ATOM 1217 CZ ARG A 79 3.490 -7.759 10.097 1.00 0.00 C ATOM 1218 NH1 ARG A 79 2.168 -7.679 10.020 1.00 0.00 N ATOM 1219 NH2 ARG A 79 4.148 -6.985 10.951 1.00 0.00 N ATOM 0 H ARG A 79 4.057 -6.216 5.982 1.00 0.00 H new ATOM 0 HA ARG A 79 5.592 -7.995 7.544 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.764 -8.303 5.141 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.546 -9.684 5.885 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.745 -7.745 7.381 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.195 -9.253 6.678 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.646 -9.974 8.826 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.199 -10.293 8.080 1.00 0.00 H new ATOM 0 HE ARG A 79 5.169 -8.648 9.408 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.658 -8.273 9.366 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.661 -7.024 10.615 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.164 -7.044 11.014 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.637 -6.331 11.544 1.00 0.00 H new ATOM 1233 N TRP A 80 7.409 -9.001 6.124 1.00 0.00 N ATOM 1234 CA TRP A 80 8.616 -9.382 5.400 1.00 0.00 C ATOM 1235 C TRP A 80 8.360 -9.420 3.897 1.00 0.00 C ATOM 1236 O TRP A 80 9.004 -8.704 3.131 1.00 0.00 O ATOM 1237 CB TRP A 80 9.114 -10.746 5.880 1.00 0.00 C ATOM 1238 CG TRP A 80 10.005 -11.435 4.891 1.00 0.00 C ATOM 1239 CD1 TRP A 80 11.266 -11.062 4.525 1.00 0.00 C ATOM 1240 CD2 TRP A 80 9.699 -12.615 4.140 1.00 0.00 C ATOM 1241 NE1 TRP A 80 11.764 -11.939 3.591 1.00 0.00 N ATOM 1242 CE2 TRP A 80 10.822 -12.901 3.339 1.00 0.00 C ATOM 1243 CE3 TRP A 80 8.588 -13.459 4.068 1.00 0.00 C ATOM 1244 CZ2 TRP A 80 10.863 -13.994 2.478 1.00 0.00 C ATOM 1245 CZ3 TRP A 80 8.629 -14.543 3.212 1.00 0.00 C ATOM 1246 CH2 TRP A 80 9.760 -14.804 2.427 1.00 0.00 C ATOM 0 H TRP A 80 7.278 -9.487 7.011 1.00 0.00 H new ATOM 0 HA TRP A 80 9.382 -8.633 5.600 1.00 0.00 H new ATOM 0 HB2 TRP A 80 9.655 -10.618 6.818 1.00 0.00 H new ATOM 0 HB3 TRP A 80 8.256 -11.384 6.091 1.00 0.00 H new ATOM 0 HD1 TRP A 80 11.795 -10.204 4.912 1.00 0.00 H new ATOM 0 HE1 TRP A 80 12.685 -11.883 3.156 1.00 0.00 H new ATOM 0 HE3 TRP A 80 7.713 -13.268 4.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 11.734 -14.196 1.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 7.775 -15.200 3.147 1.00 0.00 H new ATOM 0 HH2 TRP A 80 9.762 -15.660 1.769 1.00 0.00 H new ATOM 1257 N GLU A 81 7.417 -10.260 3.483 1.00 0.00 N ATOM 1258 CA GLU A 81 7.078 -10.391 2.071 1.00 0.00 C ATOM 1259 C GLU A 81 6.858 -9.022 1.435 1.00 0.00 C ATOM 1260 O GLU A 81 7.267 -8.780 0.299 1.00 0.00 O ATOM 1261 CB GLU A 81 5.823 -11.251 1.902 1.00 0.00 C ATOM 1262 CG GLU A 81 4.527 -10.467 2.021 1.00 0.00 C ATOM 1263 CD GLU A 81 3.300 -11.340 1.848 1.00 0.00 C ATOM 1264 OE1 GLU A 81 3.007 -12.139 2.761 1.00 0.00 O ATOM 1265 OE2 GLU A 81 2.632 -11.224 0.799 1.00 0.00 O ATOM 0 H GLU A 81 6.875 -10.860 4.105 1.00 0.00 H new ATOM 0 HA GLU A 81 7.914 -10.877 1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.855 -11.738 0.927 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.830 -12.041 2.653 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.488 -9.982 2.996 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.515 -9.676 1.271 1.00 0.00 H new ATOM 1272 N ASP A 82 6.209 -8.130 2.175 1.00 0.00 N ATOM 1273 CA ASP A 82 5.934 -6.784 1.685 1.00 0.00 C ATOM 1274 C ASP A 82 7.227 -5.991 1.520 1.00 0.00 C ATOM 1275 O ASP A 82 7.495 -5.438 0.454 1.00 0.00 O ATOM 1276 CB ASP A 82 4.991 -6.052 2.641 1.00 0.00 C ATOM 1277 CG ASP A 82 3.656 -6.755 2.788 1.00 0.00 C ATOM 1278 OD1 ASP A 82 3.618 -7.995 2.637 1.00 0.00 O ATOM 1279 OD2 ASP A 82 2.649 -6.066 3.054 1.00 0.00 O ATOM 0 H ASP A 82 5.863 -8.315 3.117 1.00 0.00 H new ATOM 0 HA ASP A 82 5.455 -6.870 0.710 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.464 -5.968 3.620 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.826 -5.037 2.278 1.00 0.00 H new ATOM 1284 N GLN A 83 8.024 -5.941 2.583 1.00 0.00 N ATOM 1285 CA GLN A 83 9.288 -5.214 2.556 1.00 0.00 C ATOM 1286 C GLN A 83 10.163 -5.687 1.401 1.00 0.00 C ATOM 1287 O GLN A 83 11.002 -4.939 0.899 1.00 0.00 O ATOM 1288 CB GLN A 83 10.031 -5.392 3.881 1.00 0.00 C ATOM 1289 CG GLN A 83 9.217 -4.976 5.096 1.00 0.00 C ATOM 1290 CD GLN A 83 10.084 -4.669 6.301 1.00 0.00 C ATOM 1291 OE1 GLN A 83 11.091 -3.968 6.194 1.00 0.00 O ATOM 1292 NE2 GLN A 83 9.697 -5.194 7.458 1.00 0.00 N ATOM 0 H GLN A 83 7.817 -6.395 3.473 1.00 0.00 H new ATOM 0 HA GLN A 83 9.067 -4.157 2.411 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.320 -6.438 3.988 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.951 -4.808 3.853 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.623 -4.097 4.847 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.517 -5.772 5.350 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.856 -5.769 7.501 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.241 -5.022 8.303 1.00 0.00 H new ATOM 1301 N GLN A 84 9.962 -6.933 0.984 1.00 0.00 N ATOM 1302 CA GLN A 84 10.735 -7.506 -0.112 1.00 0.00 C ATOM 1303 C GLN A 84 10.296 -6.921 -1.451 1.00 0.00 C ATOM 1304 O GLN A 84 11.122 -6.652 -2.323 1.00 0.00 O ATOM 1305 CB GLN A 84 10.581 -9.028 -0.132 1.00 0.00 C ATOM 1306 CG GLN A 84 11.097 -9.708 1.126 1.00 0.00 C ATOM 1307 CD GLN A 84 12.560 -10.089 1.026 1.00 0.00 C ATOM 1308 OE1 GLN A 84 12.900 -11.177 0.559 1.00 0.00 O ATOM 1309 NE2 GLN A 84 13.437 -9.193 1.465 1.00 0.00 N ATOM 0 H GLN A 84 9.271 -7.565 1.388 1.00 0.00 H new ATOM 0 HA GLN A 84 11.784 -7.256 0.047 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.528 -9.277 -0.264 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.113 -9.427 -0.995 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.956 -9.042 1.978 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.505 -10.603 1.319 1.00 0.00 H new ATOM 0 HE21 GLN A 84 13.111 -8.304 1.844 1.00 0.00 H new ATOM 0 HE22 GLN A 84 14.436 -9.394 1.423 1.00 0.00 H new ATOM 1318 N LYS A 85 8.991 -6.728 -1.607 1.00 0.00 N ATOM 1319 CA LYS A 85 8.441 -6.174 -2.839 1.00 0.00 C ATOM 1320 C LYS A 85 9.052 -4.810 -3.142 1.00 0.00 C ATOM 1321 O LYS A 85 9.166 -4.416 -4.303 1.00 0.00 O ATOM 1322 CB LYS A 85 6.919 -6.052 -2.732 1.00 0.00 C ATOM 1323 CG LYS A 85 6.219 -7.374 -2.470 1.00 0.00 C ATOM 1324 CD LYS A 85 4.760 -7.168 -2.099 1.00 0.00 C ATOM 1325 CE LYS A 85 4.252 -8.282 -1.197 1.00 0.00 C ATOM 1326 NZ LYS A 85 2.939 -7.942 -0.582 1.00 0.00 N ATOM 0 H LYS A 85 8.294 -6.947 -0.895 1.00 0.00 H new ATOM 0 HA LYS A 85 8.688 -6.852 -3.656 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.674 -5.356 -1.930 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.532 -5.622 -3.656 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.284 -8.004 -3.357 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.729 -7.904 -1.665 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.644 -6.209 -1.595 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.155 -7.128 -3.005 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.155 -9.201 -1.774 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.982 -8.475 -0.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.026 -7.959 0.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.647 -6.992 -0.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.225 -8.637 -0.881 1.00 0.00 H new ATOM 1340 N ILE A 86 9.443 -4.095 -2.093 1.00 0.00 N ATOM 1341 CA ILE A 86 10.044 -2.777 -2.249 1.00 0.00 C ATOM 1342 C ILE A 86 11.494 -2.884 -2.711 1.00 0.00 C ATOM 1343 O ILE A 86 11.829 -2.498 -3.830 1.00 0.00 O ATOM 1344 CB ILE A 86 9.995 -1.977 -0.934 1.00 0.00 C ATOM 1345 CG1 ILE A 86 8.623 -2.125 -0.272 1.00 0.00 C ATOM 1346 CG2 ILE A 86 10.308 -0.510 -1.194 1.00 0.00 C ATOM 1347 CD1 ILE A 86 7.499 -1.492 -1.062 1.00 0.00 C ATOM 0 H ILE A 86 9.354 -4.406 -1.126 1.00 0.00 H new ATOM 0 HA ILE A 86 9.461 -2.253 -3.007 1.00 0.00 H new ATOM 0 HB ILE A 86 10.750 -2.375 -0.256 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.408 -3.185 -0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.657 -1.675 0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 86 10.269 0.042 -0.255 1.00 0.00 H new ATOM 0 HG22 ILE A 86 11.305 -0.422 -1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.574 -0.099 -1.887 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.557 -1.636 -0.533 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.691 -0.425 -1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.438 -1.958 -2.045 1.00 0.00 H new ATOM 1359 N ARG A 87 12.348 -3.414 -1.841 1.00 0.00 N ATOM 1360 CA ARG A 87 13.762 -3.574 -2.160 1.00 0.00 C ATOM 1361 C ARG A 87 13.941 -4.347 -3.464 1.00 0.00 C ATOM 1362 O ARG A 87 14.797 -4.013 -4.284 1.00 0.00 O ATOM 1363 CB ARG A 87 14.485 -4.297 -1.023 1.00 0.00 C ATOM 1364 CG ARG A 87 13.769 -5.550 -0.545 1.00 0.00 C ATOM 1365 CD ARG A 87 13.977 -5.777 0.944 1.00 0.00 C ATOM 1366 NE ARG A 87 15.123 -6.642 1.211 1.00 0.00 N ATOM 1367 CZ ARG A 87 15.732 -6.714 2.390 1.00 0.00 C ATOM 1368 NH1 ARG A 87 15.305 -5.976 3.405 1.00 0.00 N ATOM 1369 NH2 ARG A 87 16.768 -7.525 2.554 1.00 0.00 N ATOM 0 H ARG A 87 12.086 -3.740 -0.911 1.00 0.00 H new ATOM 0 HA ARG A 87 14.195 -2.581 -2.283 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.488 -4.566 -1.355 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.600 -3.612 -0.183 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.703 -5.464 -0.756 1.00 0.00 H new ATOM 0 HG3 ARG A 87 14.135 -6.414 -1.100 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.124 -4.818 1.440 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.079 -6.223 1.372 1.00 0.00 H new ATOM 0 HE ARG A 87 15.476 -7.223 0.450 1.00 0.00 H new ATOM 0 HH11 ARG A 87 14.508 -5.352 3.282 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.774 -6.032 4.309 1.00 0.00 H new ATOM 0 HH21 ARG A 87 17.098 -8.094 1.775 1.00 0.00 H new ATOM 0 HH22 ARG A 87 17.235 -7.579 3.459 1.00 0.00 H new ATOM 1383 N LYS A 88 13.129 -5.381 -3.648 1.00 0.00 N ATOM 1384 CA LYS A 88 13.196 -6.202 -4.852 1.00 0.00 C ATOM 1385 C LYS A 88 12.640 -5.449 -6.056 1.00 0.00 C ATOM 1386 O LYS A 88 12.584 -5.984 -7.163 1.00 0.00 O ATOM 1387 CB LYS A 88 12.419 -7.505 -4.649 1.00 0.00 C ATOM 1388 CG LYS A 88 12.857 -8.290 -3.424 1.00 0.00 C ATOM 1389 CD LYS A 88 13.959 -9.280 -3.761 1.00 0.00 C ATOM 1390 CE LYS A 88 14.705 -9.730 -2.514 1.00 0.00 C ATOM 1391 NZ LYS A 88 14.009 -10.854 -1.828 1.00 0.00 N ATOM 0 H LYS A 88 12.416 -5.671 -2.979 1.00 0.00 H new ATOM 0 HA LYS A 88 14.243 -6.436 -5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.357 -7.275 -4.562 1.00 0.00 H new ATOM 0 HB3 LYS A 88 12.539 -8.131 -5.533 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.208 -7.601 -2.656 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.002 -8.823 -3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 88 13.529 -10.147 -4.262 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.659 -8.823 -4.460 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.714 -10.039 -2.786 1.00 0.00 H new ATOM 0 HE3 LYS A 88 14.804 -8.890 -1.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 13.937 -10.649 -0.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 13.055 -10.967 -2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 14.548 -11.733 -1.967 1.00 0.00 H new ATOM 1405 N TYR A 89 12.232 -4.205 -5.833 1.00 0.00 N ATOM 1406 CA TYR A 89 11.680 -3.379 -6.900 1.00 0.00 C ATOM 1407 C TYR A 89 12.597 -2.199 -7.206 1.00 0.00 C ATOM 1408 O TYR A 89 12.783 -1.826 -8.364 1.00 0.00 O ATOM 1409 CB TYR A 89 10.290 -2.871 -6.513 1.00 0.00 C ATOM 1410 CG TYR A 89 9.796 -1.736 -7.381 1.00 0.00 C ATOM 1411 CD1 TYR A 89 9.249 -1.982 -8.635 1.00 0.00 C ATOM 1412 CD2 TYR A 89 9.878 -0.418 -6.949 1.00 0.00 C ATOM 1413 CE1 TYR A 89 8.798 -0.948 -9.433 1.00 0.00 C ATOM 1414 CE2 TYR A 89 9.428 0.622 -7.739 1.00 0.00 C ATOM 1415 CZ TYR A 89 8.889 0.352 -8.980 1.00 0.00 C ATOM 1416 OH TYR A 89 8.440 1.385 -9.771 1.00 0.00 O ATOM 0 H TYR A 89 12.273 -3.746 -4.923 1.00 0.00 H new ATOM 0 HA TYR A 89 11.599 -3.995 -7.796 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.581 -3.697 -6.572 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.309 -2.541 -5.474 1.00 0.00 H new ATOM 0 HD1 TYR A 89 9.175 -2.999 -8.992 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.301 -0.203 -5.979 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.377 -1.156 -10.405 1.00 0.00 H new ATOM 0 HE2 TYR A 89 9.498 1.641 -7.387 1.00 0.00 H new ATOM 0 HH TYR A 89 7.936 1.022 -10.529 1.00 0.00 H new ATOM 1426 N VAL A 90 13.170 -1.616 -6.157 1.00 0.00 N ATOM 1427 CA VAL A 90 14.071 -0.480 -6.312 1.00 0.00 C ATOM 1428 C VAL A 90 15.457 -0.934 -6.754 1.00 0.00 C ATOM 1429 O VAL A 90 16.214 -0.163 -7.343 1.00 0.00 O ATOM 1430 CB VAL A 90 14.197 0.318 -5.001 1.00 0.00 C ATOM 1431 CG1 VAL A 90 12.985 1.215 -4.802 1.00 0.00 C ATOM 1432 CG2 VAL A 90 14.373 -0.624 -3.819 1.00 0.00 C ATOM 0 H VAL A 90 13.026 -1.912 -5.191 1.00 0.00 H new ATOM 0 HA VAL A 90 13.641 0.163 -7.080 1.00 0.00 H new ATOM 0 HB VAL A 90 15.081 0.952 -5.066 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.093 1.771 -3.870 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.909 1.914 -5.635 1.00 0.00 H new ATOM 0 HG13 VAL A 90 12.083 0.604 -4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.460 -0.043 -2.901 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.509 -1.285 -3.749 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.275 -1.219 -3.959 1.00 0.00 H new ATOM 1442 N GLU A 91 15.783 -2.190 -6.466 1.00 0.00 N ATOM 1443 CA GLU A 91 17.079 -2.746 -6.834 1.00 0.00 C ATOM 1444 C GLU A 91 17.027 -3.375 -8.223 1.00 0.00 C ATOM 1445 O GLU A 91 17.867 -3.091 -9.077 1.00 0.00 O ATOM 1446 CB GLU A 91 17.522 -3.790 -5.806 1.00 0.00 C ATOM 1447 CG GLU A 91 17.597 -3.252 -4.387 1.00 0.00 C ATOM 1448 CD GLU A 91 18.954 -2.659 -4.059 1.00 0.00 C ATOM 1449 OE1 GLU A 91 19.971 -3.352 -4.269 1.00 0.00 O ATOM 1450 OE2 GLU A 91 18.997 -1.502 -3.592 1.00 0.00 O ATOM 0 H GLU A 91 15.167 -2.841 -5.979 1.00 0.00 H new ATOM 0 HA GLU A 91 17.803 -1.932 -6.850 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.828 -4.630 -5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.500 -4.177 -6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.829 -2.491 -4.250 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.377 -4.056 -3.685 1.00 0.00 H new