USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 550 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 141 CYS SG : rot 180:sc= 0.00232 USER MOD Set 1.2: A 145 GLN : amide:sc= 0.672 X(o=0.67,f=0.46) USER MOD Set 2.1: A 130 HIS : no HD1:sc= -2.71! C(o=-2.7!,f=-3.2!) USER MOD Set 2.2: A 131 THR OG1 : rot 170:sc= 0 USER MOD Set 3.1: A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 119 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 76 LYS NZ :NH3+ -123:sc= 0.702 (180deg=-0.202) USER MOD Set 4.2: A 107 SER OG : rot 180:sc= 0.0484 USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.489 X(o=-0.49,f=-0.97) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 173:sc= -0.0386 (180deg=-0.0948) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= -0.777 X(o=-0.78,f=-0.4) USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 135 MET CE :methyl 147:sc= -0.978 (180deg=-2.57!) USER MOD Single : A 139 SER OG : rot 180:sc= 0.00665 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 52 N TRP A 64 2.340 5.768 3.677 1.00 0.00 N ATOM 53 CA TRP A 64 3.529 5.695 2.843 1.00 0.00 C ATOM 54 C TRP A 64 3.656 6.981 2.041 1.00 0.00 C ATOM 55 O TRP A 64 4.617 7.726 2.232 1.00 0.00 O ATOM 56 CB TRP A 64 3.537 4.410 1.984 1.00 0.00 C ATOM 57 CG TRP A 64 2.219 3.838 1.541 1.00 0.00 C ATOM 58 CD1 TRP A 64 1.493 2.929 2.234 1.00 0.00 C ATOM 59 CD2 TRP A 64 1.459 4.102 0.322 1.00 0.00 C ATOM 60 NE1 TRP A 64 0.336 2.628 1.547 1.00 0.00 N ATOM 61 CE2 TRP A 64 0.257 3.335 0.369 1.00 0.00 C ATOM 62 CE3 TRP A 64 1.637 4.938 -0.802 1.00 0.00 C ATOM 63 CZ2 TRP A 64 -0.720 3.415 -0.629 1.00 0.00 C ATOM 64 CZ3 TRP A 64 0.640 5.054 -1.791 1.00 0.00 C ATOM 65 CH2 TRP A 64 -0.548 4.306 -1.698 1.00 0.00 C ATOM 0 HA TRP A 64 4.420 5.616 3.466 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.129 4.611 1.091 1.00 0.00 H new ATOM 0 HB3 TRP A 64 4.062 3.638 2.547 1.00 0.00 H new ATOM 0 HD1 TRP A 64 1.778 2.503 3.184 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.370 1.967 1.870 1.00 0.00 H new ATOM 0 HE3 TRP A 64 2.554 5.499 -0.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -1.602 2.794 -0.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.789 5.722 -2.626 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -1.321 4.417 -2.444 1.00 0.00 H new ATOM 76 N GLY A 65 2.697 7.225 1.149 1.00 0.00 N ATOM 77 CA GLY A 65 2.572 8.415 0.323 1.00 0.00 C ATOM 78 C GLY A 65 3.879 8.760 -0.366 1.00 0.00 C ATOM 79 O GLY A 65 4.253 8.089 -1.327 1.00 0.00 O ATOM 0 H GLY A 65 1.946 6.557 0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.796 8.258 -0.426 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.253 9.255 0.941 1.00 0.00 H new ATOM 83 N ARG A 66 4.626 9.741 0.155 1.00 0.00 N ATOM 84 CA ARG A 66 5.923 10.127 -0.406 1.00 0.00 C ATOM 85 C ARG A 66 6.898 8.952 -0.533 1.00 0.00 C ATOM 86 O ARG A 66 7.733 8.995 -1.430 1.00 0.00 O ATOM 87 CB ARG A 66 6.585 11.254 0.401 1.00 0.00 C ATOM 88 CG ARG A 66 5.817 12.590 0.395 1.00 0.00 C ATOM 89 CD ARG A 66 6.716 13.805 0.698 1.00 0.00 C ATOM 90 NE ARG A 66 7.504 14.205 -0.489 1.00 0.00 N ATOM 91 CZ ARG A 66 8.753 13.867 -0.836 1.00 0.00 C ATOM 92 NH1 ARG A 66 9.526 13.154 -0.023 1.00 0.00 N ATOM 93 NH2 ARG A 66 9.229 14.233 -2.022 1.00 0.00 N ATOM 0 H ARG A 66 4.349 10.285 0.972 1.00 0.00 H new ATOM 0 HA ARG A 66 5.702 10.488 -1.410 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.702 10.923 1.433 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.586 11.425 0.006 1.00 0.00 H new ATOM 0 HG2 ARG A 66 5.346 12.727 -0.579 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.016 12.545 1.133 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.100 14.642 1.026 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.390 13.564 1.520 1.00 0.00 H new ATOM 0 HE ARG A 66 7.026 14.830 -1.138 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.171 12.853 0.885 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.474 12.907 -0.307 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.644 14.769 -2.663 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.179 13.978 -2.291 1.00 0.00 H new ATOM 107 N LEU A 67 6.781 7.890 0.277 1.00 0.00 N ATOM 108 CA LEU A 67 7.525 6.639 0.084 1.00 0.00 C ATOM 109 C LEU A 67 7.394 6.153 -1.359 1.00 0.00 C ATOM 110 O LEU A 67 8.404 5.902 -2.018 1.00 0.00 O ATOM 111 CB LEU A 67 7.051 5.545 1.062 1.00 0.00 C ATOM 112 CG LEU A 67 7.961 5.380 2.285 1.00 0.00 C ATOM 113 CD1 LEU A 67 8.071 6.663 3.116 1.00 0.00 C ATOM 114 CD2 LEU A 67 7.471 4.223 3.167 1.00 0.00 C ATOM 0 H LEU A 67 6.164 7.876 1.089 1.00 0.00 H new ATOM 0 HA LEU A 67 8.575 6.844 0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.042 5.783 1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.994 4.595 0.531 1.00 0.00 H new ATOM 0 HG LEU A 67 8.958 5.153 1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.727 6.489 3.969 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.482 7.462 2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.082 6.952 3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.128 4.120 4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.456 4.429 3.506 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.480 3.297 2.591 1.00 0.00 H new ATOM 126 N ALA A 68 6.159 6.060 -1.865 1.00 0.00 N ATOM 127 CA ALA A 68 5.893 5.631 -3.229 1.00 0.00 C ATOM 128 C ALA A 68 6.513 6.592 -4.248 1.00 0.00 C ATOM 129 O ALA A 68 6.766 6.155 -5.363 1.00 0.00 O ATOM 130 CB ALA A 68 4.384 5.469 -3.480 1.00 0.00 C ATOM 0 H ALA A 68 5.318 6.282 -1.332 1.00 0.00 H new ATOM 0 HA ALA A 68 6.362 4.656 -3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.219 5.148 -4.508 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.980 4.722 -2.797 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.883 6.422 -3.313 1.00 0.00 H new ATOM 136 N CYS A 69 6.803 7.850 -3.891 1.00 0.00 N ATOM 137 CA CYS A 69 7.404 8.833 -4.786 1.00 0.00 C ATOM 138 C CYS A 69 8.887 8.512 -5.040 1.00 0.00 C ATOM 139 O CYS A 69 9.344 8.535 -6.183 1.00 0.00 O ATOM 140 CB CYS A 69 7.198 10.246 -4.216 1.00 0.00 C ATOM 141 SG CYS A 69 7.295 11.466 -5.552 1.00 0.00 S ATOM 0 H CYS A 69 6.621 8.214 -2.956 1.00 0.00 H new ATOM 0 HA CYS A 69 6.909 8.790 -5.756 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.229 10.311 -3.721 1.00 0.00 H new ATOM 0 HB3 CYS A 69 7.956 10.458 -3.462 1.00 0.00 H new ATOM 0 HG CYS A 69 7.118 12.658 -5.065 1.00 0.00 H new ATOM 147 N TYR A 70 9.652 8.154 -4.001 1.00 0.00 N ATOM 148 CA TYR A 70 10.997 7.596 -4.193 1.00 0.00 C ATOM 149 C TYR A 70 10.883 6.318 -5.027 1.00 0.00 C ATOM 150 O TYR A 70 11.650 6.118 -5.974 1.00 0.00 O ATOM 151 CB TYR A 70 11.670 7.309 -2.842 1.00 0.00 C ATOM 152 CG TYR A 70 11.763 8.494 -1.897 1.00 0.00 C ATOM 153 CD1 TYR A 70 12.865 9.369 -1.925 1.00 0.00 C ATOM 154 CD2 TYR A 70 10.754 8.687 -0.941 1.00 0.00 C ATOM 155 CE1 TYR A 70 12.972 10.399 -0.974 1.00 0.00 C ATOM 156 CE2 TYR A 70 10.832 9.733 -0.009 1.00 0.00 C ATOM 157 CZ TYR A 70 11.958 10.585 -0.008 1.00 0.00 C ATOM 158 OH TYR A 70 12.061 11.588 0.905 1.00 0.00 O ATOM 0 H TYR A 70 9.366 8.240 -3.026 1.00 0.00 H new ATOM 0 HA TYR A 70 11.620 8.320 -4.718 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.120 6.511 -2.344 1.00 0.00 H new ATOM 0 HB3 TYR A 70 12.677 6.935 -3.029 1.00 0.00 H new ATOM 0 HD1 TYR A 70 13.630 9.249 -2.678 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.905 8.020 -0.922 1.00 0.00 H new ATOM 0 HE1 TYR A 70 13.833 11.051 -0.982 1.00 0.00 H new ATOM 0 HE2 TYR A 70 10.035 9.886 0.704 1.00 0.00 H new ATOM 0 HH TYR A 70 11.278 11.575 1.494 1.00 0.00 H new ATOM 168 N LEU A 71 9.877 5.481 -4.735 1.00 0.00 N ATOM 169 CA LEU A 71 9.629 4.262 -5.498 1.00 0.00 C ATOM 170 C LEU A 71 8.994 4.554 -6.877 1.00 0.00 C ATOM 171 O LEU A 71 8.557 3.616 -7.549 1.00 0.00 O ATOM 172 CB LEU A 71 8.818 3.205 -4.703 1.00 0.00 C ATOM 173 CG LEU A 71 9.239 2.798 -3.267 1.00 0.00 C ATOM 174 CD1 LEU A 71 8.803 1.353 -2.950 1.00 0.00 C ATOM 175 CD2 LEU A 71 10.744 2.903 -3.048 1.00 0.00 C ATOM 0 H LEU A 71 9.221 5.633 -3.969 1.00 0.00 H new ATOM 0 HA LEU A 71 10.609 3.822 -5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.791 3.566 -4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.803 2.295 -5.303 1.00 0.00 H new ATOM 0 HG LEU A 71 8.738 3.499 -2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.111 1.094 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.719 1.274 -3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.271 0.668 -3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.985 2.607 -2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.260 2.246 -3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.065 3.932 -3.213 1.00 0.00 H new ATOM 187 N GLU A 72 8.884 5.814 -7.313 1.00 0.00 N ATOM 188 CA GLU A 72 8.385 6.244 -8.622 1.00 0.00 C ATOM 189 C GLU A 72 9.519 6.827 -9.479 1.00 0.00 C ATOM 190 O GLU A 72 9.302 7.113 -10.662 1.00 0.00 O ATOM 191 CB GLU A 72 7.266 7.296 -8.462 1.00 0.00 C ATOM 192 CG GLU A 72 5.839 6.744 -8.397 1.00 0.00 C ATOM 193 CD GLU A 72 4.813 7.857 -8.191 1.00 0.00 C ATOM 194 OE1 GLU A 72 4.841 8.580 -7.169 1.00 0.00 O ATOM 195 OE2 GLU A 72 3.951 8.054 -9.076 1.00 0.00 O ATOM 0 H GLU A 72 9.156 6.604 -6.728 1.00 0.00 H new ATOM 0 HA GLU A 72 7.980 5.366 -9.125 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.457 7.867 -7.553 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.328 7.995 -9.296 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.614 6.207 -9.319 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.764 6.024 -7.582 1.00 0.00 H new ATOM 202 N PHE A 73 10.722 7.029 -8.927 1.00 0.00 N ATOM 203 CA PHE A 73 11.881 7.372 -9.743 1.00 0.00 C ATOM 204 C PHE A 73 12.304 6.113 -10.521 1.00 0.00 C ATOM 205 O PHE A 73 12.339 6.140 -11.756 1.00 0.00 O ATOM 206 CB PHE A 73 13.006 8.014 -8.899 1.00 0.00 C ATOM 207 CG PHE A 73 14.358 7.351 -9.071 1.00 0.00 C ATOM 208 CD1 PHE A 73 15.040 7.447 -10.299 1.00 0.00 C ATOM 209 CD2 PHE A 73 14.807 6.455 -8.087 1.00 0.00 C ATOM 210 CE1 PHE A 73 16.110 6.580 -10.570 1.00 0.00 C ATOM 211 CE2 PHE A 73 15.917 5.630 -8.342 1.00 0.00 C ATOM 212 CZ PHE A 73 16.541 5.663 -9.598 1.00 0.00 C ATOM 0 H PHE A 73 10.912 6.960 -7.927 1.00 0.00 H new ATOM 0 HA PHE A 73 11.629 8.144 -10.470 1.00 0.00 H new ATOM 0 HB2 PHE A 73 13.092 9.067 -9.167 1.00 0.00 H new ATOM 0 HB3 PHE A 73 12.725 7.975 -7.847 1.00 0.00 H new ATOM 0 HD1 PHE A 73 14.741 8.184 -11.029 1.00 0.00 H new ATOM 0 HD2 PHE A 73 14.300 6.400 -7.135 1.00 0.00 H new ATOM 0 HE1 PHE A 73 16.604 6.618 -11.530 1.00 0.00 H new ATOM 0 HE2 PHE A 73 16.289 4.971 -7.571 1.00 0.00 H new ATOM 0 HZ PHE A 73 17.352 4.984 -9.817 1.00 0.00 H new ATOM 222 N LEU A 74 12.637 5.036 -9.794 1.00 0.00 N ATOM 223 CA LEU A 74 13.182 3.788 -10.329 1.00 0.00 C ATOM 224 C LEU A 74 12.096 2.957 -10.999 1.00 0.00 C ATOM 225 O LEU A 74 10.903 3.186 -10.795 1.00 0.00 O ATOM 226 CB LEU A 74 13.958 2.971 -9.274 1.00 0.00 C ATOM 227 CG LEU A 74 13.467 2.981 -7.816 1.00 0.00 C ATOM 228 CD1 LEU A 74 12.067 2.389 -7.668 1.00 0.00 C ATOM 229 CD2 LEU A 74 14.442 2.165 -6.965 1.00 0.00 C ATOM 0 H LEU A 74 12.528 5.014 -8.780 1.00 0.00 H new ATOM 0 HA LEU A 74 13.911 4.066 -11.091 1.00 0.00 H new ATOM 0 HB2 LEU A 74 13.976 1.934 -9.608 1.00 0.00 H new ATOM 0 HB3 LEU A 74 14.989 3.324 -9.277 1.00 0.00 H new ATOM 0 HG LEU A 74 13.423 4.019 -7.486 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.768 2.420 -6.620 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.362 2.969 -8.264 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.071 1.355 -8.014 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.106 2.163 -5.928 1.00 0.00 H new ATOM 0 HD22 LEU A 74 14.479 1.141 -7.336 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.436 2.609 -7.024 1.00 0.00 H new ATOM 241 N LYS A 75 12.521 1.964 -11.781 1.00 0.00 N ATOM 242 CA LYS A 75 11.661 1.112 -12.592 1.00 0.00 C ATOM 243 C LYS A 75 11.919 -0.359 -12.323 1.00 0.00 C ATOM 244 O LYS A 75 12.659 -0.675 -11.398 1.00 0.00 O ATOM 245 CB LYS A 75 11.823 1.482 -14.069 1.00 0.00 C ATOM 246 CG LYS A 75 13.165 1.151 -14.746 1.00 0.00 C ATOM 247 CD LYS A 75 12.953 0.549 -16.148 1.00 0.00 C ATOM 248 CE LYS A 75 12.151 1.403 -17.142 1.00 0.00 C ATOM 249 NZ LYS A 75 12.760 2.720 -17.423 1.00 0.00 N ATOM 0 H LYS A 75 13.509 1.725 -11.868 1.00 0.00 H new ATOM 0 HA LYS A 75 10.621 1.284 -12.315 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.033 0.982 -14.629 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.653 2.554 -14.167 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.768 2.056 -14.824 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.723 0.448 -14.127 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.931 0.345 -16.584 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.447 -0.410 -16.036 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.048 0.854 -18.078 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.146 1.554 -16.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.166 3.240 -18.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.835 3.263 -16.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.708 2.585 -17.828 1.00 0.00 H new ATOM 263 N LYS A 76 11.354 -1.256 -13.139 1.00 0.00 N ATOM 264 CA LYS A 76 11.504 -2.712 -13.025 1.00 0.00 C ATOM 265 C LYS A 76 12.951 -3.229 -12.968 1.00 0.00 C ATOM 266 O LYS A 76 13.155 -4.402 -12.658 1.00 0.00 O ATOM 267 CB LYS A 76 10.719 -3.410 -14.163 1.00 0.00 C ATOM 268 CG LYS A 76 9.342 -3.958 -13.746 1.00 0.00 C ATOM 269 CD LYS A 76 8.277 -2.888 -13.468 1.00 0.00 C ATOM 270 CE LYS A 76 7.035 -3.559 -12.873 1.00 0.00 C ATOM 271 NZ LYS A 76 5.976 -2.587 -12.517 1.00 0.00 N ATOM 0 H LYS A 76 10.761 -0.980 -13.922 1.00 0.00 H new ATOM 0 HA LYS A 76 11.087 -2.969 -12.051 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.582 -2.702 -14.980 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.321 -4.232 -14.551 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.976 -4.618 -14.533 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.466 -4.568 -12.851 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.667 -2.140 -12.778 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.018 -2.367 -14.390 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.637 -4.278 -13.589 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.321 -4.120 -11.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.739 -2.685 -11.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.315 -1.621 -12.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.129 -2.771 -13.091 1.00 0.00 H new ATOM 285 N GLU A 77 13.948 -2.395 -13.256 1.00 0.00 N ATOM 286 CA GLU A 77 15.342 -2.647 -12.921 1.00 0.00 C ATOM 287 C GLU A 77 15.511 -2.654 -11.399 1.00 0.00 C ATOM 288 O GLU A 77 15.809 -3.684 -10.800 1.00 0.00 O ATOM 289 CB GLU A 77 16.218 -1.554 -13.556 1.00 0.00 C ATOM 290 CG GLU A 77 16.302 -1.693 -15.075 1.00 0.00 C ATOM 291 CD GLU A 77 16.996 -0.491 -15.702 1.00 0.00 C ATOM 292 OE1 GLU A 77 18.212 -0.317 -15.473 1.00 0.00 O ATOM 293 OE2 GLU A 77 16.342 0.251 -16.463 1.00 0.00 O ATOM 0 H GLU A 77 13.803 -1.508 -13.739 1.00 0.00 H new ATOM 0 HA GLU A 77 15.649 -3.618 -13.309 1.00 0.00 H new ATOM 0 HB2 GLU A 77 15.813 -0.574 -13.304 1.00 0.00 H new ATOM 0 HB3 GLU A 77 17.221 -1.603 -13.132 1.00 0.00 H new ATOM 0 HG2 GLU A 77 16.845 -2.603 -15.330 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.299 -1.794 -15.489 1.00 0.00 H new ATOM 300 N GLU A 78 15.307 -1.504 -10.754 1.00 0.00 N ATOM 301 CA GLU A 78 15.881 -1.249 -9.433 1.00 0.00 C ATOM 302 C GLU A 78 14.791 -1.378 -8.366 1.00 0.00 C ATOM 303 O GLU A 78 15.079 -1.717 -7.222 1.00 0.00 O ATOM 304 CB GLU A 78 16.610 0.113 -9.452 1.00 0.00 C ATOM 305 CG GLU A 78 17.859 0.048 -10.351 1.00 0.00 C ATOM 306 CD GLU A 78 18.504 1.392 -10.693 1.00 0.00 C ATOM 307 OE1 GLU A 78 17.875 2.458 -10.536 1.00 0.00 O ATOM 308 OE2 GLU A 78 19.645 1.363 -11.219 1.00 0.00 O ATOM 0 H GLU A 78 14.749 -0.735 -11.125 1.00 0.00 H new ATOM 0 HA GLU A 78 16.635 -1.992 -9.173 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.935 0.888 -9.815 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.899 0.391 -8.438 1.00 0.00 H new ATOM 0 HG2 GLU A 78 18.605 -0.577 -9.860 1.00 0.00 H new ATOM 0 HG3 GLU A 78 17.588 -0.451 -11.282 1.00 0.00 H new ATOM 315 N LEU A 79 13.516 -1.223 -8.753 1.00 0.00 N ATOM 316 CA LEU A 79 12.357 -1.560 -7.939 1.00 0.00 C ATOM 317 C LEU A 79 12.420 -3.046 -7.555 1.00 0.00 C ATOM 318 O LEU A 79 12.149 -3.408 -6.409 1.00 0.00 O ATOM 319 CB LEU A 79 11.079 -1.193 -8.748 1.00 0.00 C ATOM 320 CG LEU A 79 9.717 -1.123 -8.024 1.00 0.00 C ATOM 321 CD1 LEU A 79 9.153 -2.495 -7.691 1.00 0.00 C ATOM 322 CD2 LEU A 79 9.724 -0.228 -6.786 1.00 0.00 C ATOM 0 H LEU A 79 13.264 -0.849 -9.668 1.00 0.00 H new ATOM 0 HA LEU A 79 12.339 -0.997 -7.006 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.253 -0.222 -9.212 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.983 -1.919 -9.555 1.00 0.00 H new ATOM 0 HG LEU A 79 9.050 -0.655 -8.749 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.195 -2.381 -7.183 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.011 -3.063 -8.610 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.848 -3.026 -7.040 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.734 -0.229 -6.331 1.00 0.00 H new ATOM 0 HD22 LEU A 79 10.453 -0.605 -6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.990 0.789 -7.074 1.00 0.00 H new ATOM 334 N LYS A 80 12.817 -3.896 -8.508 1.00 0.00 N ATOM 335 CA LYS A 80 13.034 -5.331 -8.327 1.00 0.00 C ATOM 336 C LYS A 80 14.102 -5.568 -7.274 1.00 0.00 C ATOM 337 O LYS A 80 13.760 -6.139 -6.237 1.00 0.00 O ATOM 338 CB LYS A 80 13.380 -5.995 -9.675 1.00 0.00 C ATOM 339 CG LYS A 80 13.640 -7.511 -9.627 1.00 0.00 C ATOM 340 CD LYS A 80 12.433 -8.363 -9.197 1.00 0.00 C ATOM 341 CE LYS A 80 12.402 -8.631 -7.685 1.00 0.00 C ATOM 342 NZ LYS A 80 11.316 -9.557 -7.307 1.00 0.00 N ATOM 0 H LYS A 80 13.003 -3.589 -9.463 1.00 0.00 H new ATOM 0 HA LYS A 80 12.116 -5.796 -7.968 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.563 -5.807 -10.371 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.265 -5.506 -10.083 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.965 -7.840 -10.614 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.464 -7.702 -8.940 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.514 -7.856 -9.490 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.457 -9.314 -9.729 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.359 -9.048 -7.372 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.276 -7.688 -7.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.332 -9.710 -6.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.400 -9.148 -7.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.450 -10.466 -7.794 1.00 0.00 H new ATOM 356 N GLU A 81 15.359 -5.187 -7.530 1.00 0.00 N ATOM 357 CA GLU A 81 16.430 -5.547 -6.603 1.00 0.00 C ATOM 358 C GLU A 81 16.167 -4.960 -5.213 1.00 0.00 C ATOM 359 O GLU A 81 16.466 -5.627 -4.231 1.00 0.00 O ATOM 360 CB GLU A 81 17.844 -5.268 -7.155 1.00 0.00 C ATOM 361 CG GLU A 81 18.598 -4.115 -6.480 1.00 0.00 C ATOM 362 CD GLU A 81 19.972 -3.867 -7.114 1.00 0.00 C ATOM 363 OE1 GLU A 81 20.026 -3.184 -8.160 1.00 0.00 O ATOM 364 OE2 GLU A 81 21.006 -4.341 -6.582 1.00 0.00 O ATOM 0 H GLU A 81 15.651 -4.647 -8.345 1.00 0.00 H new ATOM 0 HA GLU A 81 16.414 -6.631 -6.490 1.00 0.00 H new ATOM 0 HB2 GLU A 81 18.439 -6.176 -7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 81 17.764 -5.053 -8.221 1.00 0.00 H new ATOM 0 HG2 GLU A 81 18.001 -3.206 -6.546 1.00 0.00 H new ATOM 0 HG3 GLU A 81 18.724 -4.338 -5.420 1.00 0.00 H new ATOM 371 N PHE A 82 15.534 -3.786 -5.099 1.00 0.00 N ATOM 372 CA PHE A 82 15.191 -3.233 -3.797 1.00 0.00 C ATOM 373 C PHE A 82 14.360 -4.217 -2.979 1.00 0.00 C ATOM 374 O PHE A 82 14.763 -4.607 -1.886 1.00 0.00 O ATOM 375 CB PHE A 82 14.452 -1.905 -3.943 1.00 0.00 C ATOM 376 CG PHE A 82 14.175 -1.205 -2.624 1.00 0.00 C ATOM 377 CD1 PHE A 82 12.997 -1.477 -1.900 1.00 0.00 C ATOM 378 CD2 PHE A 82 15.065 -0.231 -2.146 1.00 0.00 C ATOM 379 CE1 PHE A 82 12.665 -0.712 -0.768 1.00 0.00 C ATOM 380 CE2 PHE A 82 14.750 0.507 -0.998 1.00 0.00 C ATOM 381 CZ PHE A 82 13.540 0.293 -0.332 1.00 0.00 C ATOM 0 H PHE A 82 15.253 -3.209 -5.892 1.00 0.00 H new ATOM 0 HA PHE A 82 16.124 -3.051 -3.263 1.00 0.00 H new ATOM 0 HB2 PHE A 82 15.039 -1.242 -4.578 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.506 -2.082 -4.455 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.345 -2.278 -2.217 1.00 0.00 H new ATOM 0 HD2 PHE A 82 15.995 -0.050 -2.664 1.00 0.00 H new ATOM 0 HE1 PHE A 82 11.742 -0.897 -0.238 1.00 0.00 H new ATOM 0 HE2 PHE A 82 15.445 1.245 -0.626 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.279 0.903 0.520 1.00 0.00 H new ATOM 391 N GLN A 83 13.180 -4.610 -3.470 1.00 0.00 N ATOM 392 CA GLN A 83 12.274 -5.400 -2.646 1.00 0.00 C ATOM 393 C GLN A 83 12.835 -6.805 -2.391 1.00 0.00 C ATOM 394 O GLN A 83 12.520 -7.416 -1.365 1.00 0.00 O ATOM 395 CB GLN A 83 10.889 -5.464 -3.309 1.00 0.00 C ATOM 396 CG GLN A 83 9.765 -5.414 -2.266 1.00 0.00 C ATOM 397 CD GLN A 83 9.785 -4.169 -1.364 1.00 0.00 C ATOM 398 OE1 GLN A 83 9.768 -4.272 -0.143 1.00 0.00 O ATOM 399 NE2 GLN A 83 9.820 -2.972 -1.917 1.00 0.00 N ATOM 0 H GLN A 83 12.841 -4.399 -4.408 1.00 0.00 H new ATOM 0 HA GLN A 83 12.173 -4.915 -1.675 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.779 -4.632 -4.005 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.805 -6.381 -3.892 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.806 -5.457 -2.782 1.00 0.00 H new ATOM 0 HG3 GLN A 83 9.830 -6.303 -1.638 1.00 0.00 H new ATOM 0 HE21 GLN A 83 9.834 -2.880 -2.933 1.00 0.00 H new ATOM 0 HE22 GLN A 83 9.833 -2.139 -1.329 1.00 0.00 H new ATOM 408 N LEU A 84 13.649 -7.311 -3.320 1.00 0.00 N ATOM 409 CA LEU A 84 14.429 -8.518 -3.221 1.00 0.00 C ATOM 410 C LEU A 84 15.406 -8.394 -2.047 1.00 0.00 C ATOM 411 O LEU A 84 15.246 -9.086 -1.041 1.00 0.00 O ATOM 412 CB LEU A 84 15.072 -8.688 -4.609 1.00 0.00 C ATOM 413 CG LEU A 84 15.618 -10.092 -4.827 1.00 0.00 C ATOM 414 CD1 LEU A 84 15.759 -10.348 -6.330 1.00 0.00 C ATOM 415 CD2 LEU A 84 16.964 -10.289 -4.124 1.00 0.00 C ATOM 0 H LEU A 84 13.780 -6.846 -4.218 1.00 0.00 H new ATOM 0 HA LEU A 84 13.857 -9.418 -2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 84 14.333 -8.465 -5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 84 15.880 -7.965 -4.723 1.00 0.00 H new ATOM 0 HG LEU A 84 14.919 -10.807 -4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 84 16.150 -11.352 -6.493 1.00 0.00 H new ATOM 0 HD12 LEU A 84 14.784 -10.256 -6.808 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.444 -9.618 -6.761 1.00 0.00 H new ATOM 0 HD21 LEU A 84 17.323 -11.303 -4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 84 17.687 -9.574 -4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 84 16.842 -10.130 -3.053 1.00 0.00 H new ATOM 427 N LEU A 85 16.368 -7.474 -2.137 1.00 0.00 N ATOM 428 CA LEU A 85 17.415 -7.281 -1.141 1.00 0.00 C ATOM 429 C LEU A 85 16.829 -6.945 0.221 1.00 0.00 C ATOM 430 O LEU A 85 17.301 -7.466 1.225 1.00 0.00 O ATOM 431 CB LEU A 85 18.371 -6.155 -1.557 1.00 0.00 C ATOM 432 CG LEU A 85 19.230 -6.459 -2.794 1.00 0.00 C ATOM 433 CD1 LEU A 85 20.079 -5.225 -3.093 1.00 0.00 C ATOM 434 CD2 LEU A 85 20.134 -7.677 -2.610 1.00 0.00 C ATOM 0 H LEU A 85 16.439 -6.829 -2.924 1.00 0.00 H new ATOM 0 HA LEU A 85 17.964 -8.220 -1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 85 17.787 -5.255 -1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.032 -5.932 -0.720 1.00 0.00 H new ATOM 0 HG LEU A 85 18.562 -6.696 -3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 85 20.700 -5.414 -3.969 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.427 -4.373 -3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 85 20.717 -5.006 -2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 85 20.715 -7.839 -3.518 1.00 0.00 H new ATOM 0 HD22 LEU A 85 20.810 -7.505 -1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 85 19.523 -8.557 -2.408 1.00 0.00 H new ATOM 446 N LEU A 86 15.798 -6.103 0.281 1.00 0.00 N ATOM 447 CA LEU A 86 15.150 -5.702 1.513 1.00 0.00 C ATOM 448 C LEU A 86 14.577 -6.939 2.197 1.00 0.00 C ATOM 449 O LEU A 86 14.844 -7.168 3.377 1.00 0.00 O ATOM 450 CB LEU A 86 14.092 -4.646 1.163 1.00 0.00 C ATOM 451 CG LEU A 86 13.463 -3.946 2.373 1.00 0.00 C ATOM 452 CD1 LEU A 86 12.725 -2.704 1.890 1.00 0.00 C ATOM 453 CD2 LEU A 86 12.448 -4.817 3.113 1.00 0.00 C ATOM 0 H LEU A 86 15.386 -5.675 -0.549 1.00 0.00 H new ATOM 0 HA LEU A 86 15.845 -5.252 2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 86 14.548 -3.893 0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.301 -5.122 0.583 1.00 0.00 H new ATOM 0 HG LEU A 86 14.277 -3.713 3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.272 -2.196 2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.428 -2.032 1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.946 -2.995 1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 86 12.040 -4.262 3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.640 -5.090 2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.939 -5.720 3.475 1.00 0.00 H new ATOM 465 N ALA A 87 13.810 -7.756 1.467 1.00 0.00 N ATOM 466 CA ALA A 87 13.244 -8.981 2.014 1.00 0.00 C ATOM 467 C ALA A 87 14.332 -9.991 2.401 1.00 0.00 C ATOM 468 O ALA A 87 14.114 -10.779 3.321 1.00 0.00 O ATOM 469 CB ALA A 87 12.277 -9.593 1.000 1.00 0.00 C ATOM 0 H ALA A 87 13.569 -7.584 0.491 1.00 0.00 H new ATOM 0 HA ALA A 87 12.704 -8.729 2.927 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.853 -10.510 1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.475 -8.885 0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 87 12.812 -9.820 0.078 1.00 0.00 H new ATOM 475 N ASN A 88 15.485 -9.984 1.724 1.00 0.00 N ATOM 476 CA ASN A 88 16.633 -10.818 2.084 1.00 0.00 C ATOM 477 C ASN A 88 17.230 -10.341 3.411 1.00 0.00 C ATOM 478 O ASN A 88 17.453 -11.160 4.303 1.00 0.00 O ATOM 479 CB ASN A 88 17.711 -10.824 0.983 1.00 0.00 C ATOM 480 CG ASN A 88 17.424 -11.809 -0.145 1.00 0.00 C ATOM 481 OD1 ASN A 88 16.277 -12.149 -0.429 1.00 0.00 O ATOM 482 ND2 ASN A 88 18.455 -12.261 -0.839 1.00 0.00 N ATOM 0 H ASN A 88 15.647 -9.396 0.907 1.00 0.00 H new ATOM 0 HA ASN A 88 16.277 -11.842 2.194 1.00 0.00 H new ATOM 0 HB2 ASN A 88 17.798 -9.821 0.565 1.00 0.00 H new ATOM 0 HB3 ASN A 88 18.675 -11.067 1.431 1.00 0.00 H new ATOM 0 HD21 ASN A 88 18.304 -12.899 -1.620 1.00 0.00 H new ATOM 0 HD22 ASN A 88 19.402 -11.971 -0.593 1.00 0.00 H new ATOM 489 N LYS A 89 17.475 -9.032 3.538 1.00 0.00 N ATOM 490 CA LYS A 89 17.995 -8.318 4.699 1.00 0.00 C ATOM 491 C LYS A 89 17.136 -8.595 5.917 1.00 0.00 C ATOM 492 O LYS A 89 17.638 -9.058 6.945 1.00 0.00 O ATOM 493 CB LYS A 89 18.023 -6.813 4.361 1.00 0.00 C ATOM 494 CG LYS A 89 19.054 -6.062 5.184 1.00 0.00 C ATOM 495 CD LYS A 89 18.708 -5.678 6.627 1.00 0.00 C ATOM 496 CE LYS A 89 20.054 -5.446 7.318 1.00 0.00 C ATOM 497 NZ LYS A 89 20.003 -4.459 8.412 1.00 0.00 N ATOM 0 H LYS A 89 17.298 -8.395 2.762 1.00 0.00 H new ATOM 0 HA LYS A 89 19.004 -8.656 4.935 1.00 0.00 H new ATOM 0 HB2 LYS A 89 18.242 -6.684 3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 89 17.037 -6.384 4.537 1.00 0.00 H new ATOM 0 HG2 LYS A 89 19.960 -6.668 5.212 1.00 0.00 H new ATOM 0 HG3 LYS A 89 19.300 -5.145 4.648 1.00 0.00 H new ATOM 0 HD2 LYS A 89 18.090 -4.780 6.658 1.00 0.00 H new ATOM 0 HD3 LYS A 89 18.144 -6.470 7.120 1.00 0.00 H new ATOM 0 HE2 LYS A 89 20.416 -6.395 7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 89 20.780 -5.113 6.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 20.949 -4.356 8.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 19.688 -3.541 8.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.336 -4.783 9.141 1.00 0.00 H new ATOM 511 N ALA A 90 15.860 -8.229 5.837 1.00 0.00 N ATOM 512 CA ALA A 90 14.907 -8.369 6.914 1.00 0.00 C ATOM 513 C ALA A 90 14.612 -9.850 7.089 1.00 0.00 C ATOM 514 O ALA A 90 13.767 -10.392 6.382 1.00 0.00 O ATOM 515 CB ALA A 90 13.642 -7.569 6.603 1.00 0.00 C ATOM 0 H ALA A 90 15.458 -7.817 4.995 1.00 0.00 H new ATOM 0 HA ALA A 90 15.312 -7.973 7.846 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.930 -7.681 7.421 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.897 -6.516 6.486 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.195 -7.939 5.680 1.00 0.00 H new ATOM 712 N LYS A 105 3.191 -8.372 -5.820 1.00 0.00 N ATOM 713 CA LYS A 105 3.165 -6.969 -6.216 1.00 0.00 C ATOM 714 C LYS A 105 4.529 -6.567 -6.760 1.00 0.00 C ATOM 715 O LYS A 105 5.557 -7.075 -6.318 1.00 0.00 O ATOM 716 CB LYS A 105 2.722 -6.079 -5.044 1.00 0.00 C ATOM 717 CG LYS A 105 1.243 -6.290 -4.657 1.00 0.00 C ATOM 718 CD LYS A 105 1.040 -7.275 -3.499 1.00 0.00 C ATOM 719 CE LYS A 105 -0.455 -7.519 -3.271 1.00 0.00 C ATOM 720 NZ LYS A 105 -0.690 -8.562 -2.254 1.00 0.00 N ATOM 0 HA LYS A 105 2.431 -6.829 -7.010 1.00 0.00 H new ATOM 0 HB2 LYS A 105 3.352 -6.286 -4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 105 2.878 -5.033 -5.309 1.00 0.00 H new ATOM 0 HG2 LYS A 105 0.808 -5.329 -4.384 1.00 0.00 H new ATOM 0 HG3 LYS A 105 0.697 -6.651 -5.529 1.00 0.00 H new ATOM 0 HD2 LYS A 105 1.540 -8.218 -3.721 1.00 0.00 H new ATOM 0 HD3 LYS A 105 1.494 -6.879 -2.591 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -0.931 -6.590 -2.956 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -0.923 -7.815 -4.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -1.713 -8.699 -2.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -0.257 -9.455 -2.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -0.266 -8.268 -1.351 1.00 0.00 H new ATOM 734 N THR A 106 4.531 -5.649 -7.722 1.00 0.00 N ATOM 735 CA THR A 106 5.658 -5.394 -8.621 1.00 0.00 C ATOM 736 C THR A 106 5.789 -3.913 -8.966 1.00 0.00 C ATOM 737 O THR A 106 6.470 -3.559 -9.927 1.00 0.00 O ATOM 738 CB THR A 106 5.492 -6.276 -9.880 1.00 0.00 C ATOM 739 OG1 THR A 106 4.132 -6.286 -10.301 1.00 0.00 O ATOM 740 CG2 THR A 106 5.966 -7.710 -9.644 1.00 0.00 C ATOM 0 H THR A 106 3.730 -5.045 -7.905 1.00 0.00 H new ATOM 0 HA THR A 106 6.589 -5.659 -8.120 1.00 0.00 H new ATOM 0 HB THR A 106 6.116 -5.841 -10.661 1.00 0.00 H new ATOM 0 HG1 THR A 106 4.041 -6.846 -11.100 1.00 0.00 H new ATOM 0 HG21 THR A 106 5.830 -8.293 -10.555 1.00 0.00 H new ATOM 0 HG22 THR A 106 7.021 -7.704 -9.371 1.00 0.00 H new ATOM 0 HG23 THR A 106 5.385 -8.157 -8.838 1.00 0.00 H new ATOM 748 N SER A 107 5.124 -3.030 -8.226 1.00 0.00 N ATOM 749 CA SER A 107 5.188 -1.600 -8.453 1.00 0.00 C ATOM 750 C SER A 107 5.319 -0.910 -7.106 1.00 0.00 C ATOM 751 O SER A 107 4.840 -1.430 -6.096 1.00 0.00 O ATOM 752 CB SER A 107 3.965 -1.149 -9.258 1.00 0.00 C ATOM 753 OG SER A 107 3.873 -1.865 -10.484 1.00 0.00 O ATOM 0 H SER A 107 4.522 -3.295 -7.447 1.00 0.00 H new ATOM 0 HA SER A 107 6.058 -1.326 -9.049 1.00 0.00 H new ATOM 0 HB2 SER A 107 3.060 -1.306 -8.671 1.00 0.00 H new ATOM 0 HB3 SER A 107 4.032 -0.080 -9.460 1.00 0.00 H new ATOM 0 HG SER A 107 3.085 -1.562 -10.981 1.00 0.00 H new ATOM 759 N GLY A 108 6.001 0.230 -7.085 1.00 0.00 N ATOM 760 CA GLY A 108 6.494 0.864 -5.875 1.00 0.00 C ATOM 761 C GLY A 108 5.377 1.197 -4.900 1.00 0.00 C ATOM 762 O GLY A 108 5.461 0.872 -3.720 1.00 0.00 O ATOM 0 H GLY A 108 6.230 0.749 -7.932 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.212 0.204 -5.389 1.00 0.00 H new ATOM 0 HA3 GLY A 108 7.028 1.777 -6.138 1.00 0.00 H new ATOM 766 N MET A 109 4.293 1.777 -5.391 1.00 0.00 N ATOM 767 CA MET A 109 3.180 2.152 -4.529 1.00 0.00 C ATOM 768 C MET A 109 2.488 0.919 -3.924 1.00 0.00 C ATOM 769 O MET A 109 1.888 1.001 -2.854 1.00 0.00 O ATOM 770 CB MET A 109 2.225 3.048 -5.320 1.00 0.00 C ATOM 771 CG MET A 109 1.531 2.299 -6.460 1.00 0.00 C ATOM 772 SD MET A 109 1.452 3.116 -8.076 1.00 0.00 S ATOM 773 CE MET A 109 3.206 3.257 -8.515 1.00 0.00 C ATOM 0 H MET A 109 4.159 1.998 -6.378 1.00 0.00 H new ATOM 0 HA MET A 109 3.551 2.718 -3.674 1.00 0.00 H new ATOM 0 HB2 MET A 109 1.472 3.456 -4.646 1.00 0.00 H new ATOM 0 HB3 MET A 109 2.779 3.893 -5.729 1.00 0.00 H new ATOM 0 HG2 MET A 109 2.038 1.343 -6.591 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.511 2.078 -6.145 1.00 0.00 H new ATOM 0 HE1 MET A 109 3.297 3.627 -9.536 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.697 3.951 -7.833 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.680 2.278 -8.440 1.00 0.00 H new ATOM 783 N GLU A 110 2.603 -0.244 -4.572 1.00 0.00 N ATOM 784 CA GLU A 110 1.970 -1.463 -4.115 1.00 0.00 C ATOM 785 C GLU A 110 2.875 -2.246 -3.172 1.00 0.00 C ATOM 786 O GLU A 110 2.357 -2.839 -2.224 1.00 0.00 O ATOM 787 CB GLU A 110 1.573 -2.334 -5.317 1.00 0.00 C ATOM 788 CG GLU A 110 0.261 -1.909 -5.980 1.00 0.00 C ATOM 789 CD GLU A 110 -0.936 -2.128 -5.047 1.00 0.00 C ATOM 790 OE1 GLU A 110 -1.265 -3.295 -4.729 1.00 0.00 O ATOM 791 OE2 GLU A 110 -1.538 -1.139 -4.566 1.00 0.00 O ATOM 0 H GLU A 110 3.142 -0.356 -5.431 1.00 0.00 H new ATOM 0 HA GLU A 110 1.074 -1.186 -3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.372 -2.300 -6.058 1.00 0.00 H new ATOM 0 HB3 GLU A 110 1.485 -3.370 -4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 110 0.318 -0.857 -6.260 1.00 0.00 H new ATOM 0 HG3 GLU A 110 0.116 -2.477 -6.899 1.00 0.00 H new ATOM 798 N VAL A 111 4.196 -2.264 -3.380 1.00 0.00 N ATOM 799 CA VAL A 111 5.120 -2.800 -2.414 1.00 0.00 C ATOM 800 C VAL A 111 5.141 -1.910 -1.164 1.00 0.00 C ATOM 801 O VAL A 111 5.237 -2.414 -0.055 1.00 0.00 O ATOM 802 CB VAL A 111 6.494 -2.979 -3.060 1.00 0.00 C ATOM 803 CG1 VAL A 111 6.500 -4.023 -4.190 1.00 0.00 C ATOM 804 CG2 VAL A 111 7.183 -1.725 -3.485 1.00 0.00 C ATOM 0 H VAL A 111 4.639 -1.905 -4.225 1.00 0.00 H new ATOM 0 HA VAL A 111 4.799 -3.788 -2.084 1.00 0.00 H new ATOM 0 HB VAL A 111 7.093 -3.364 -2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 111 7.504 -4.102 -4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.194 -4.991 -3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 111 5.806 -3.716 -4.972 1.00 0.00 H new ATOM 0 HG21 VAL A 111 8.147 -1.972 -3.929 1.00 0.00 H new ATOM 0 HG22 VAL A 111 6.569 -1.203 -4.219 1.00 0.00 H new ATOM 0 HG23 VAL A 111 7.337 -1.083 -2.618 1.00 0.00 H new ATOM 814 N ALA A 112 4.963 -0.600 -1.312 1.00 0.00 N ATOM 815 CA ALA A 112 4.836 0.334 -0.200 1.00 0.00 C ATOM 816 C ALA A 112 3.700 -0.074 0.739 1.00 0.00 C ATOM 817 O ALA A 112 3.929 -0.280 1.933 1.00 0.00 O ATOM 818 CB ALA A 112 4.619 1.753 -0.737 1.00 0.00 C ATOM 0 H ALA A 112 4.902 -0.151 -2.226 1.00 0.00 H new ATOM 0 HA ALA A 112 5.760 0.313 0.378 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.525 2.447 0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.469 2.042 -1.355 1.00 0.00 H new ATOM 0 HB3 ALA A 112 3.709 1.780 -1.336 1.00 0.00 H new ATOM 824 N SER A 113 2.494 -0.233 0.187 1.00 0.00 N ATOM 825 CA SER A 113 1.331 -0.744 0.901 1.00 0.00 C ATOM 826 C SER A 113 1.644 -2.085 1.588 1.00 0.00 C ATOM 827 O SER A 113 1.202 -2.320 2.718 1.00 0.00 O ATOM 828 CB SER A 113 0.190 -0.845 -0.120 1.00 0.00 C ATOM 829 OG SER A 113 -1.036 -1.276 0.434 1.00 0.00 O ATOM 0 H SER A 113 2.300 -0.004 -0.788 1.00 0.00 H new ATOM 0 HA SER A 113 1.037 -0.075 1.710 1.00 0.00 H new ATOM 0 HB2 SER A 113 0.045 0.130 -0.586 1.00 0.00 H new ATOM 0 HB3 SER A 113 0.483 -1.535 -0.911 1.00 0.00 H new ATOM 0 HG SER A 113 -1.717 -1.316 -0.270 1.00 0.00 H new ATOM 835 N TYR A 114 2.432 -2.943 0.932 1.00 0.00 N ATOM 836 CA TYR A 114 2.834 -4.252 1.435 1.00 0.00 C ATOM 837 C TYR A 114 3.777 -4.096 2.628 1.00 0.00 C ATOM 838 O TYR A 114 3.628 -4.787 3.632 1.00 0.00 O ATOM 839 CB TYR A 114 3.444 -5.073 0.280 1.00 0.00 C ATOM 840 CG TYR A 114 4.704 -5.881 0.565 1.00 0.00 C ATOM 841 CD1 TYR A 114 4.585 -7.080 1.297 1.00 0.00 C ATOM 842 CD2 TYR A 114 5.973 -5.480 0.072 1.00 0.00 C ATOM 843 CE1 TYR A 114 5.703 -7.902 1.514 1.00 0.00 C ATOM 844 CE2 TYR A 114 7.093 -6.290 0.327 1.00 0.00 C ATOM 845 CZ TYR A 114 6.969 -7.500 1.040 1.00 0.00 C ATOM 846 OH TYR A 114 8.070 -8.264 1.278 1.00 0.00 O ATOM 0 H TYR A 114 2.817 -2.736 0.010 1.00 0.00 H new ATOM 0 HA TYR A 114 1.968 -4.801 1.803 1.00 0.00 H new ATOM 0 HB2 TYR A 114 2.680 -5.762 -0.080 1.00 0.00 H new ATOM 0 HB3 TYR A 114 3.665 -4.387 -0.537 1.00 0.00 H new ATOM 0 HD1 TYR A 114 3.624 -7.370 1.695 1.00 0.00 H new ATOM 0 HD2 TYR A 114 6.077 -4.565 -0.492 1.00 0.00 H new ATOM 0 HE1 TYR A 114 5.594 -8.838 2.042 1.00 0.00 H new ATOM 0 HE2 TYR A 114 8.064 -5.980 -0.029 1.00 0.00 H new ATOM 0 HH TYR A 114 8.857 -7.837 0.879 1.00 0.00 H new ATOM 856 N LEU A 115 4.746 -3.189 2.547 1.00 0.00 N ATOM 857 CA LEU A 115 5.814 -3.113 3.526 1.00 0.00 C ATOM 858 C LEU A 115 5.323 -2.485 4.827 1.00 0.00 C ATOM 859 O LEU A 115 5.760 -2.889 5.905 1.00 0.00 O ATOM 860 CB LEU A 115 7.012 -2.361 2.930 1.00 0.00 C ATOM 861 CG LEU A 115 8.318 -2.738 3.647 1.00 0.00 C ATOM 862 CD1 LEU A 115 8.733 -4.180 3.323 1.00 0.00 C ATOM 863 CD2 LEU A 115 9.444 -1.799 3.216 1.00 0.00 C ATOM 0 H LEU A 115 4.809 -2.493 1.804 1.00 0.00 H new ATOM 0 HA LEU A 115 6.144 -4.121 3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 115 7.098 -2.592 1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.847 -1.287 3.011 1.00 0.00 H new ATOM 0 HG LEU A 115 8.142 -2.649 4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 115 9.660 -4.418 3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.949 -4.865 3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.885 -4.282 2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.365 -2.075 3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.592 -1.878 2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.180 -0.773 3.471 1.00 0.00 H new ATOM 875 N VAL A 116 4.368 -1.554 4.757 1.00 0.00 N ATOM 876 CA VAL A 116 3.670 -1.083 5.950 1.00 0.00 C ATOM 877 C VAL A 116 2.878 -2.242 6.556 1.00 0.00 C ATOM 878 O VAL A 116 2.905 -2.401 7.773 1.00 0.00 O ATOM 879 CB VAL A 116 2.770 0.120 5.621 1.00 0.00 C ATOM 880 CG1 VAL A 116 1.970 0.615 6.840 1.00 0.00 C ATOM 881 CG2 VAL A 116 3.611 1.292 5.097 1.00 0.00 C ATOM 0 H VAL A 116 4.063 -1.114 3.889 1.00 0.00 H new ATOM 0 HA VAL A 116 4.395 -0.737 6.686 1.00 0.00 H new ATOM 0 HB VAL A 116 2.069 -0.226 4.862 1.00 0.00 H new ATOM 0 HG11 VAL A 116 1.353 1.465 6.549 1.00 0.00 H new ATOM 0 HG12 VAL A 116 1.332 -0.189 7.207 1.00 0.00 H new ATOM 0 HG13 VAL A 116 2.659 0.920 7.628 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.958 2.135 4.869 1.00 0.00 H new ATOM 0 HG22 VAL A 116 4.335 1.588 5.856 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.138 0.986 4.193 1.00 0.00 H new ATOM 891 N ALA A 117 2.200 -3.060 5.741 1.00 0.00 N ATOM 892 CA ALA A 117 1.455 -4.204 6.250 1.00 0.00 C ATOM 893 C ALA A 117 2.377 -5.193 6.966 1.00 0.00 C ATOM 894 O ALA A 117 1.957 -5.820 7.941 1.00 0.00 O ATOM 895 CB ALA A 117 0.696 -4.884 5.111 1.00 0.00 C ATOM 0 H ALA A 117 2.156 -2.946 4.728 1.00 0.00 H new ATOM 0 HA ALA A 117 0.733 -3.846 6.983 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.142 -5.738 5.502 1.00 0.00 H new ATOM 0 HB2 ALA A 117 0.000 -4.175 4.663 1.00 0.00 H new ATOM 0 HB3 ALA A 117 1.403 -5.225 4.355 1.00 0.00 H new ATOM 901 N GLN A 118 3.617 -5.340 6.493 1.00 0.00 N ATOM 902 CA GLN A 118 4.635 -6.158 7.130 1.00 0.00 C ATOM 903 C GLN A 118 5.063 -5.544 8.470 1.00 0.00 C ATOM 904 O GLN A 118 5.014 -6.258 9.472 1.00 0.00 O ATOM 905 CB GLN A 118 5.837 -6.342 6.194 1.00 0.00 C ATOM 906 CG GLN A 118 5.546 -7.124 4.907 1.00 0.00 C ATOM 907 CD GLN A 118 5.888 -8.608 5.016 1.00 0.00 C ATOM 908 OE1 GLN A 118 7.054 -8.996 5.008 1.00 0.00 O ATOM 909 NE2 GLN A 118 4.890 -9.478 5.073 1.00 0.00 N ATOM 0 H GLN A 118 3.941 -4.883 5.641 1.00 0.00 H new ATOM 0 HA GLN A 118 4.213 -7.142 7.335 1.00 0.00 H new ATOM 0 HB2 GLN A 118 6.221 -5.358 5.924 1.00 0.00 H new ATOM 0 HB3 GLN A 118 6.629 -6.854 6.741 1.00 0.00 H new ATOM 0 HG2 GLN A 118 4.491 -7.018 4.656 1.00 0.00 H new ATOM 0 HG3 GLN A 118 6.114 -6.686 4.087 1.00 0.00 H new ATOM 0 HE21 GLN A 118 3.925 -9.147 5.079 1.00 0.00 H new ATOM 0 HE22 GLN A 118 5.087 -10.478 5.111 1.00 0.00 H new ATOM 918 N TYR A 119 5.505 -4.276 8.500 1.00 0.00 N ATOM 919 CA TYR A 119 6.281 -3.757 9.642 1.00 0.00 C ATOM 920 C TYR A 119 5.883 -2.381 10.216 1.00 0.00 C ATOM 921 O TYR A 119 6.519 -1.931 11.172 1.00 0.00 O ATOM 922 CB TYR A 119 7.767 -3.661 9.270 1.00 0.00 C ATOM 923 CG TYR A 119 8.431 -4.822 8.568 1.00 0.00 C ATOM 924 CD1 TYR A 119 8.977 -5.882 9.315 1.00 0.00 C ATOM 925 CD2 TYR A 119 8.560 -4.807 7.171 1.00 0.00 C ATOM 926 CE1 TYR A 119 9.553 -6.982 8.656 1.00 0.00 C ATOM 927 CE2 TYR A 119 9.135 -5.902 6.509 1.00 0.00 C ATOM 928 CZ TYR A 119 9.603 -7.014 7.246 1.00 0.00 C ATOM 929 OH TYR A 119 10.088 -8.115 6.614 1.00 0.00 O ATOM 0 H TYR A 119 5.342 -3.597 7.757 1.00 0.00 H new ATOM 0 HA TYR A 119 6.058 -4.486 10.422 1.00 0.00 H new ATOM 0 HB2 TYR A 119 7.890 -2.782 8.637 1.00 0.00 H new ATOM 0 HB3 TYR A 119 8.323 -3.473 10.188 1.00 0.00 H new ATOM 0 HD1 TYR A 119 8.954 -5.851 10.394 1.00 0.00 H new ATOM 0 HD2 TYR A 119 8.217 -3.953 6.606 1.00 0.00 H new ATOM 0 HE1 TYR A 119 9.958 -7.803 9.229 1.00 0.00 H new ATOM 0 HE2 TYR A 119 9.220 -5.896 5.432 1.00 0.00 H new ATOM 0 HH TYR A 119 10.053 -7.977 5.644 1.00 0.00 H new ATOM 939 N GLY A 120 4.904 -1.665 9.659 1.00 0.00 N ATOM 940 CA GLY A 120 4.551 -0.327 10.092 1.00 0.00 C ATOM 941 C GLY A 120 5.549 0.723 9.600 1.00 0.00 C ATOM 942 O GLY A 120 6.631 0.411 9.100 1.00 0.00 O ATOM 0 H GLY A 120 4.333 -2.009 8.887 1.00 0.00 H new ATOM 0 HA2 GLY A 120 3.555 -0.079 9.725 1.00 0.00 H new ATOM 0 HA3 GLY A 120 4.505 -0.300 11.181 1.00 0.00 H new ATOM 946 N GLU A 121 5.152 1.987 9.736 1.00 0.00 N ATOM 947 CA GLU A 121 5.801 3.172 9.178 1.00 0.00 C ATOM 948 C GLU A 121 7.251 3.370 9.641 1.00 0.00 C ATOM 949 O GLU A 121 7.990 4.088 8.967 1.00 0.00 O ATOM 950 CB GLU A 121 4.956 4.437 9.476 1.00 0.00 C ATOM 951 CG GLU A 121 4.899 5.405 8.276 1.00 0.00 C ATOM 952 CD GLU A 121 5.313 6.866 8.561 1.00 0.00 C ATOM 953 OE1 GLU A 121 6.533 7.167 8.626 1.00 0.00 O ATOM 954 OE2 GLU A 121 4.444 7.766 8.681 1.00 0.00 O ATOM 0 H GLU A 121 4.317 2.226 10.272 1.00 0.00 H new ATOM 0 HA GLU A 121 5.856 3.007 8.102 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.943 4.138 9.746 1.00 0.00 H new ATOM 0 HB3 GLU A 121 5.376 4.956 10.338 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.543 5.013 7.488 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.882 5.407 7.885 1.00 0.00 H new ATOM 961 N GLN A 122 7.678 2.740 10.749 1.00 0.00 N ATOM 962 CA GLN A 122 9.076 2.642 11.123 1.00 0.00 C ATOM 963 C GLN A 122 9.803 1.818 10.069 1.00 0.00 C ATOM 964 O GLN A 122 10.394 2.377 9.159 1.00 0.00 O ATOM 965 CB GLN A 122 9.255 2.040 12.522 1.00 0.00 C ATOM 966 CG GLN A 122 8.565 2.779 13.672 1.00 0.00 C ATOM 967 CD GLN A 122 7.173 2.203 13.890 1.00 0.00 C ATOM 968 OE1 GLN A 122 7.034 1.095 14.404 1.00 0.00 O ATOM 969 NE2 GLN A 122 6.134 2.892 13.462 1.00 0.00 N ATOM 0 H GLN A 122 7.047 2.284 11.408 1.00 0.00 H new ATOM 0 HA GLN A 122 9.503 3.644 11.167 1.00 0.00 H new ATOM 0 HB2 GLN A 122 8.885 1.015 12.503 1.00 0.00 H new ATOM 0 HB3 GLN A 122 10.322 1.990 12.739 1.00 0.00 H new ATOM 0 HG2 GLN A 122 9.155 2.685 14.584 1.00 0.00 H new ATOM 0 HG3 GLN A 122 8.497 3.843 13.445 1.00 0.00 H new ATOM 0 HE21 GLN A 122 6.270 3.810 13.038 1.00 0.00 H new ATOM 0 HE22 GLN A 122 5.194 2.507 13.555 1.00 0.00 H new ATOM 978 N ARG A 123 9.771 0.486 10.170 1.00 0.00 N ATOM 979 CA ARG A 123 10.610 -0.396 9.361 1.00 0.00 C ATOM 980 C ARG A 123 10.289 -0.275 7.882 1.00 0.00 C ATOM 981 O ARG A 123 11.183 -0.475 7.059 1.00 0.00 O ATOM 982 CB ARG A 123 10.459 -1.848 9.836 1.00 0.00 C ATOM 983 CG ARG A 123 11.551 -2.328 10.790 1.00 0.00 C ATOM 984 CD ARG A 123 11.363 -1.684 12.163 1.00 0.00 C ATOM 985 NE ARG A 123 12.570 -1.815 12.990 1.00 0.00 N ATOM 986 CZ ARG A 123 12.863 -1.002 14.009 1.00 0.00 C ATOM 987 NH1 ARG A 123 11.935 -0.197 14.520 1.00 0.00 N ATOM 988 NH2 ARG A 123 14.098 -0.998 14.483 1.00 0.00 N ATOM 0 H ARG A 123 9.160 -0.010 10.818 1.00 0.00 H new ATOM 0 HA ARG A 123 11.647 -0.088 9.492 1.00 0.00 H new ATOM 0 HB2 ARG A 123 9.493 -1.955 10.329 1.00 0.00 H new ATOM 0 HB3 ARG A 123 10.446 -2.501 8.963 1.00 0.00 H new ATOM 0 HG2 ARG A 123 11.516 -3.414 10.880 1.00 0.00 H new ATOM 0 HG3 ARG A 123 12.533 -2.073 10.391 1.00 0.00 H new ATOM 0 HD2 ARG A 123 11.118 -0.629 12.040 1.00 0.00 H new ATOM 0 HD3 ARG A 123 10.520 -2.150 12.672 1.00 0.00 H new ATOM 0 HE ARG A 123 13.221 -2.570 12.774 1.00 0.00 H new ATOM 0 HH11 ARG A 123 10.991 -0.197 14.134 1.00 0.00 H new ATOM 0 HH12 ARG A 123 12.168 0.420 15.298 1.00 0.00 H new ATOM 0 HH21 ARG A 123 14.804 -1.608 14.071 1.00 0.00 H new ATOM 0 HH22 ARG A 123 14.344 -0.385 15.260 1.00 0.00 H new ATOM 1002 N ALA A 124 9.051 0.067 7.528 1.00 0.00 N ATOM 1003 CA ALA A 124 8.694 0.281 6.141 1.00 0.00 C ATOM 1004 C ALA A 124 9.460 1.451 5.509 1.00 0.00 C ATOM 1005 O ALA A 124 9.458 1.567 4.281 1.00 0.00 O ATOM 1006 CB ALA A 124 7.179 0.441 6.021 1.00 0.00 C ATOM 0 H ALA A 124 8.284 0.200 8.188 1.00 0.00 H new ATOM 0 HA ALA A 124 8.994 -0.598 5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 124 6.912 0.602 4.977 1.00 0.00 H new ATOM 0 HB2 ALA A 124 6.688 -0.461 6.386 1.00 0.00 H new ATOM 0 HB3 ALA A 124 6.855 1.296 6.614 1.00 0.00 H new ATOM 1012 N TRP A 125 10.159 2.268 6.311 1.00 0.00 N ATOM 1013 CA TRP A 125 11.174 3.186 5.832 1.00 0.00 C ATOM 1014 C TRP A 125 12.539 2.899 6.455 1.00 0.00 C ATOM 1015 O TRP A 125 13.476 2.668 5.708 1.00 0.00 O ATOM 1016 CB TRP A 125 10.682 4.627 5.961 1.00 0.00 C ATOM 1017 CG TRP A 125 11.204 5.580 4.932 1.00 0.00 C ATOM 1018 CD1 TRP A 125 11.526 6.863 5.195 1.00 0.00 C ATOM 1019 CD2 TRP A 125 11.421 5.399 3.490 1.00 0.00 C ATOM 1020 NE1 TRP A 125 11.924 7.493 4.037 1.00 0.00 N ATOM 1021 CE2 TRP A 125 11.857 6.647 2.954 1.00 0.00 C ATOM 1022 CE3 TRP A 125 11.274 4.337 2.563 1.00 0.00 C ATOM 1023 CZ2 TRP A 125 12.110 6.830 1.591 1.00 0.00 C ATOM 1024 CZ3 TRP A 125 11.537 4.505 1.193 1.00 0.00 C ATOM 1025 CH2 TRP A 125 11.942 5.756 0.707 1.00 0.00 C ATOM 0 H TRP A 125 10.025 2.301 7.322 1.00 0.00 H new ATOM 0 HA TRP A 125 11.340 3.028 4.766 1.00 0.00 H new ATOM 0 HB2 TRP A 125 9.593 4.627 5.912 1.00 0.00 H new ATOM 0 HB3 TRP A 125 10.956 4.999 6.948 1.00 0.00 H new ATOM 0 HD1 TRP A 125 11.479 7.327 6.169 1.00 0.00 H new ATOM 0 HE1 TRP A 125 12.230 8.465 3.988 1.00 0.00 H new ATOM 0 HE3 TRP A 125 10.950 3.370 2.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 12.433 7.792 1.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 11.427 3.671 0.515 1.00 0.00 H new ATOM 0 HH2 TRP A 125 12.125 5.892 -0.349 1.00 0.00 H new ATOM 1036 N ASP A 126 12.667 2.814 7.772 1.00 0.00 N ATOM 1037 CA ASP A 126 13.902 2.538 8.523 1.00 0.00 C ATOM 1038 C ASP A 126 14.734 1.377 7.957 1.00 0.00 C ATOM 1039 O ASP A 126 15.955 1.485 7.866 1.00 0.00 O ATOM 1040 CB ASP A 126 13.546 2.236 9.988 1.00 0.00 C ATOM 1041 CG ASP A 126 14.760 2.058 10.902 1.00 0.00 C ATOM 1042 OD1 ASP A 126 15.635 2.952 10.955 1.00 0.00 O ATOM 1043 OD2 ASP A 126 14.814 1.069 11.663 1.00 0.00 O ATOM 0 H ASP A 126 11.866 2.943 8.391 1.00 0.00 H new ATOM 0 HA ASP A 126 14.520 3.431 8.436 1.00 0.00 H new ATOM 0 HB2 ASP A 126 12.929 3.047 10.375 1.00 0.00 H new ATOM 0 HB3 ASP A 126 12.941 1.330 10.024 1.00 0.00 H new ATOM 1048 N LEU A 127 14.101 0.266 7.555 1.00 0.00 N ATOM 1049 CA LEU A 127 14.791 -0.899 7.010 1.00 0.00 C ATOM 1050 C LEU A 127 15.082 -0.646 5.526 1.00 0.00 C ATOM 1051 O LEU A 127 16.208 -0.826 5.065 1.00 0.00 O ATOM 1052 CB LEU A 127 13.946 -2.152 7.346 1.00 0.00 C ATOM 1053 CG LEU A 127 13.580 -3.150 6.239 1.00 0.00 C ATOM 1054 CD1 LEU A 127 14.822 -3.903 5.780 1.00 0.00 C ATOM 1055 CD2 LEU A 127 12.531 -4.125 6.793 1.00 0.00 C ATOM 0 H LEU A 127 13.088 0.155 7.602 1.00 0.00 H new ATOM 0 HA LEU A 127 15.769 -1.081 7.455 1.00 0.00 H new ATOM 0 HB2 LEU A 127 14.480 -2.706 8.118 1.00 0.00 H new ATOM 0 HB3 LEU A 127 13.013 -1.804 7.790 1.00 0.00 H new ATOM 0 HG LEU A 127 13.171 -2.622 5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 127 14.550 -4.608 4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 127 15.555 -3.195 5.394 1.00 0.00 H new ATOM 0 HD13 LEU A 127 15.251 -4.446 6.623 1.00 0.00 H new ATOM 0 HD21 LEU A 127 12.258 -4.843 6.020 1.00 0.00 H new ATOM 0 HD22 LEU A 127 12.944 -4.655 7.651 1.00 0.00 H new ATOM 0 HD23 LEU A 127 11.645 -3.570 7.102 1.00 0.00 H new ATOM 1067 N ALA A 128 14.069 -0.170 4.804 1.00 0.00 N ATOM 1068 CA ALA A 128 14.117 0.270 3.413 1.00 0.00 C ATOM 1069 C ALA A 128 15.266 1.258 3.132 1.00 0.00 C ATOM 1070 O ALA A 128 15.875 1.198 2.068 1.00 0.00 O ATOM 1071 CB ALA A 128 12.746 0.872 3.079 1.00 0.00 C ATOM 0 H ALA A 128 13.134 -0.076 5.201 1.00 0.00 H new ATOM 0 HA ALA A 128 14.328 -0.583 2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 128 12.741 1.214 2.044 1.00 0.00 H new ATOM 0 HB2 ALA A 128 11.973 0.115 3.215 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.548 1.715 3.741 1.00 0.00 H new ATOM 1077 N LEU A 129 15.575 2.156 4.070 1.00 0.00 N ATOM 1078 CA LEU A 129 16.594 3.193 3.966 1.00 0.00 C ATOM 1079 C LEU A 129 17.954 2.577 3.674 1.00 0.00 C ATOM 1080 O LEU A 129 18.665 3.043 2.786 1.00 0.00 O ATOM 1081 CB LEU A 129 16.639 4.015 5.273 1.00 0.00 C ATOM 1082 CG LEU A 129 16.161 5.471 5.159 1.00 0.00 C ATOM 1083 CD1 LEU A 129 17.125 6.349 4.364 1.00 0.00 C ATOM 1084 CD2 LEU A 129 14.776 5.631 4.539 1.00 0.00 C ATOM 0 H LEU A 129 15.093 2.177 4.969 1.00 0.00 H new ATOM 0 HA LEU A 129 16.339 3.858 3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 129 16.029 3.509 6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 129 17.663 4.016 5.645 1.00 0.00 H new ATOM 0 HG LEU A 129 16.119 5.797 6.198 1.00 0.00 H new ATOM 0 HD11 LEU A 129 16.736 7.366 4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 129 18.099 6.356 4.853 1.00 0.00 H new ATOM 0 HD13 LEU A 129 17.229 5.953 3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 129 14.517 6.689 4.496 1.00 0.00 H new ATOM 0 HD22 LEU A 129 14.779 5.217 3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 129 14.042 5.102 5.147 1.00 0.00 H new ATOM 1096 N HIS A 130 18.302 1.512 4.396 1.00 0.00 N ATOM 1097 CA HIS A 130 19.551 0.795 4.192 1.00 0.00 C ATOM 1098 C HIS A 130 19.632 0.241 2.765 1.00 0.00 C ATOM 1099 O HIS A 130 20.720 0.194 2.195 1.00 0.00 O ATOM 1100 CB HIS A 130 19.697 -0.292 5.273 1.00 0.00 C ATOM 1101 CG HIS A 130 20.323 -1.575 4.786 1.00 0.00 C ATOM 1102 ND1 HIS A 130 21.622 -1.996 4.964 1.00 0.00 N ATOM 1103 CD2 HIS A 130 19.714 -2.457 3.938 1.00 0.00 C ATOM 1104 CE1 HIS A 130 21.784 -3.125 4.255 1.00 0.00 C ATOM 1105 NE2 HIS A 130 20.650 -3.435 3.607 1.00 0.00 N ATOM 0 H HIS A 130 17.721 1.125 5.140 1.00 0.00 H new ATOM 0 HA HIS A 130 20.395 1.477 4.297 1.00 0.00 H new ATOM 0 HB2 HIS A 130 20.299 0.104 6.091 1.00 0.00 H new ATOM 0 HB3 HIS A 130 18.712 -0.515 5.682 1.00 0.00 H new ATOM 0 HD2 HIS A 130 18.694 -2.405 3.588 1.00 0.00 H new ATOM 0 HE1 HIS A 130 22.696 -3.701 4.212 1.00 0.00 H new ATOM 0 HE2 HIS A 130 20.502 -4.234 2.990 1.00 0.00 H new ATOM 1113 N THR A 131 18.520 -0.180 2.159 1.00 0.00 N ATOM 1114 CA THR A 131 18.547 -0.766 0.823 1.00 0.00 C ATOM 1115 C THR A 131 18.904 0.302 -0.230 1.00 0.00 C ATOM 1116 O THR A 131 19.374 -0.024 -1.320 1.00 0.00 O ATOM 1117 CB THR A 131 17.212 -1.490 0.570 1.00 0.00 C ATOM 1118 OG1 THR A 131 16.883 -2.311 1.682 1.00 0.00 O ATOM 1119 CG2 THR A 131 17.253 -2.401 -0.657 1.00 0.00 C ATOM 0 H THR A 131 17.590 -0.125 2.575 1.00 0.00 H new ATOM 0 HA THR A 131 19.333 -1.516 0.741 1.00 0.00 H new ATOM 0 HB THR A 131 16.473 -0.705 0.409 1.00 0.00 H new ATOM 0 HG1 THR A 131 15.965 -2.639 1.586 1.00 0.00 H new ATOM 0 HG21 THR A 131 16.284 -2.884 -0.784 1.00 0.00 H new ATOM 0 HG22 THR A 131 17.482 -1.808 -1.543 1.00 0.00 H new ATOM 0 HG23 THR A 131 18.022 -3.161 -0.520 1.00 0.00 H new ATOM 1127 N TRP A 132 18.794 1.585 0.121 1.00 0.00 N ATOM 1128 CA TRP A 132 19.352 2.655 -0.709 1.00 0.00 C ATOM 1129 C TRP A 132 20.870 2.708 -0.615 1.00 0.00 C ATOM 1130 O TRP A 132 21.526 3.080 -1.588 1.00 0.00 O ATOM 1131 CB TRP A 132 18.755 4.022 -0.363 1.00 0.00 C ATOM 1132 CG TRP A 132 17.264 4.115 -0.437 1.00 0.00 C ATOM 1133 CD1 TRP A 132 16.465 4.673 0.497 1.00 0.00 C ATOM 1134 CD2 TRP A 132 16.376 3.625 -1.482 1.00 0.00 C ATOM 1135 NE1 TRP A 132 15.144 4.558 0.112 1.00 0.00 N ATOM 1136 CE2 TRP A 132 15.036 3.955 -1.124 1.00 0.00 C ATOM 1137 CE3 TRP A 132 16.564 2.919 -2.689 1.00 0.00 C ATOM 1138 CZ2 TRP A 132 13.946 3.647 -1.950 1.00 0.00 C ATOM 1139 CZ3 TRP A 132 15.482 2.595 -3.518 1.00 0.00 C ATOM 1140 CH2 TRP A 132 14.179 2.974 -3.162 1.00 0.00 C ATOM 0 H TRP A 132 18.327 1.907 0.969 1.00 0.00 H new ATOM 0 HA TRP A 132 19.079 2.418 -1.737 1.00 0.00 H new ATOM 0 HB2 TRP A 132 19.068 4.290 0.646 1.00 0.00 H new ATOM 0 HB3 TRP A 132 19.181 4.765 -1.037 1.00 0.00 H new ATOM 0 HD1 TRP A 132 16.808 5.139 1.409 1.00 0.00 H new ATOM 0 HE1 TRP A 132 14.351 4.877 0.669 1.00 0.00 H new ATOM 0 HE3 TRP A 132 17.561 2.623 -2.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 12.943 3.922 -1.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 15.652 2.051 -4.435 1.00 0.00 H new ATOM 0 HH2 TRP A 132 13.353 2.748 -3.820 1.00 0.00 H new ATOM 1151 N GLU A 133 21.447 2.343 0.527 1.00 0.00 N ATOM 1152 CA GLU A 133 22.882 2.175 0.671 1.00 0.00 C ATOM 1153 C GLU A 133 23.349 0.983 -0.167 1.00 0.00 C ATOM 1154 O GLU A 133 24.314 1.134 -0.916 1.00 0.00 O ATOM 1155 CB GLU A 133 23.259 2.057 2.157 1.00 0.00 C ATOM 1156 CG GLU A 133 24.655 2.633 2.422 1.00 0.00 C ATOM 1157 CD GLU A 133 24.654 4.164 2.536 1.00 0.00 C ATOM 1158 OE1 GLU A 133 24.010 4.868 1.715 1.00 0.00 O ATOM 1159 OE2 GLU A 133 25.357 4.681 3.433 1.00 0.00 O ATOM 0 H GLU A 133 20.924 2.155 1.382 1.00 0.00 H new ATOM 0 HA GLU A 133 23.402 3.054 0.291 1.00 0.00 H new ATOM 0 HB2 GLU A 133 22.524 2.585 2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 133 23.231 1.010 2.460 1.00 0.00 H new ATOM 0 HG2 GLU A 133 25.051 2.205 3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 133 25.326 2.333 1.617 1.00 0.00 H new ATOM 1166 N GLN A 134 22.614 -0.138 -0.126 1.00 0.00 N ATOM 1167 CA GLN A 134 22.878 -1.334 -0.928 1.00 0.00 C ATOM 1168 C GLN A 134 22.986 -0.967 -2.408 1.00 0.00 C ATOM 1169 O GLN A 134 24.043 -1.151 -3.010 1.00 0.00 O ATOM 1170 CB GLN A 134 21.776 -2.395 -0.747 1.00 0.00 C ATOM 1171 CG GLN A 134 21.669 -3.001 0.654 1.00 0.00 C ATOM 1172 CD GLN A 134 22.608 -4.187 0.831 1.00 0.00 C ATOM 1173 OE1 GLN A 134 22.367 -5.262 0.286 1.00 0.00 O ATOM 1174 NE2 GLN A 134 23.700 -4.014 1.548 1.00 0.00 N ATOM 0 H GLN A 134 21.801 -0.237 0.482 1.00 0.00 H new ATOM 0 HA GLN A 134 23.822 -1.755 -0.582 1.00 0.00 H new ATOM 0 HB2 GLN A 134 20.817 -1.945 -1.003 1.00 0.00 H new ATOM 0 HB3 GLN A 134 21.951 -3.201 -1.460 1.00 0.00 H new ATOM 0 HG2 GLN A 134 21.902 -2.239 1.398 1.00 0.00 H new ATOM 0 HG3 GLN A 134 20.643 -3.320 0.834 1.00 0.00 H new ATOM 0 HE21 GLN A 134 23.881 -3.114 1.992 1.00 0.00 H new ATOM 0 HE22 GLN A 134 24.364 -4.780 1.659 1.00 0.00 H new ATOM 1183 N MET A 135 21.903 -0.446 -2.995 1.00 0.00 N ATOM 1184 CA MET A 135 21.838 -0.140 -4.421 1.00 0.00 C ATOM 1185 C MET A 135 22.690 1.089 -4.789 1.00 0.00 C ATOM 1186 O MET A 135 22.837 1.375 -5.977 1.00 0.00 O ATOM 1187 CB MET A 135 20.367 0.080 -4.813 1.00 0.00 C ATOM 1188 CG MET A 135 19.476 -1.147 -4.660 1.00 0.00 C ATOM 1189 SD MET A 135 17.719 -0.746 -4.548 1.00 0.00 S ATOM 1190 CE MET A 135 17.515 0.431 -5.912 1.00 0.00 C ATOM 0 H MET A 135 21.045 -0.225 -2.489 1.00 0.00 H new ATOM 0 HA MET A 135 22.251 -0.982 -4.977 1.00 0.00 H new ATOM 0 HB2 MET A 135 19.959 0.886 -4.203 1.00 0.00 H new ATOM 0 HB3 MET A 135 20.328 0.414 -5.850 1.00 0.00 H new ATOM 0 HG2 MET A 135 19.636 -1.812 -5.509 1.00 0.00 H new ATOM 0 HG3 MET A 135 19.774 -1.694 -3.766 1.00 0.00 H new ATOM 0 HE1 MET A 135 16.519 0.322 -6.341 1.00 0.00 H new ATOM 0 HE2 MET A 135 17.639 1.447 -5.537 1.00 0.00 H new ATOM 0 HE3 MET A 135 18.264 0.233 -6.679 1.00 0.00 H new ATOM 1200 N GLY A 136 23.238 1.833 -3.821 1.00 0.00 N ATOM 1201 CA GLY A 136 24.074 3.005 -4.070 1.00 0.00 C ATOM 1202 C GLY A 136 23.284 4.253 -4.471 1.00 0.00 C ATOM 1203 O GLY A 136 23.884 5.224 -4.947 1.00 0.00 O ATOM 0 H GLY A 136 23.109 1.632 -2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 136 24.652 3.225 -3.172 1.00 0.00 H new ATOM 0 HA3 GLY A 136 24.788 2.769 -4.859 1.00 0.00 H new ATOM 1207 N LEU A 137 21.961 4.260 -4.278 1.00 0.00 N ATOM 1208 CA LEU A 137 21.041 5.344 -4.612 1.00 0.00 C ATOM 1209 C LEU A 137 21.137 6.415 -3.535 1.00 0.00 C ATOM 1210 O LEU A 137 20.206 6.632 -2.747 1.00 0.00 O ATOM 1211 CB LEU A 137 19.599 4.813 -4.759 1.00 0.00 C ATOM 1212 CG LEU A 137 19.224 4.226 -6.129 1.00 0.00 C ATOM 1213 CD1 LEU A 137 19.247 5.292 -7.210 1.00 0.00 C ATOM 1214 CD2 LEU A 137 20.156 3.107 -6.566 1.00 0.00 C ATOM 0 H LEU A 137 21.480 3.463 -3.861 1.00 0.00 H new ATOM 0 HA LEU A 137 21.316 5.781 -5.572 1.00 0.00 H new ATOM 0 HB2 LEU A 137 19.439 4.045 -4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 137 18.910 5.628 -4.536 1.00 0.00 H new ATOM 0 HG LEU A 137 18.218 3.825 -6.004 1.00 0.00 H new ATOM 0 HD11 LEU A 137 18.977 4.845 -8.167 1.00 0.00 H new ATOM 0 HD12 LEU A 137 18.533 6.077 -6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 137 20.247 5.720 -7.278 1.00 0.00 H new ATOM 0 HD21 LEU A 137 19.842 2.732 -7.540 1.00 0.00 H new ATOM 0 HD22 LEU A 137 21.175 3.488 -6.635 1.00 0.00 H new ATOM 0 HD23 LEU A 137 20.120 2.298 -5.837 1.00 0.00 H new ATOM 1226 N ARG A 138 22.268 7.107 -3.500 1.00 0.00 N ATOM 1227 CA ARG A 138 22.535 8.090 -2.474 1.00 0.00 C ATOM 1228 C ARG A 138 21.627 9.293 -2.598 1.00 0.00 C ATOM 1229 O ARG A 138 21.319 9.863 -1.566 1.00 0.00 O ATOM 1230 CB ARG A 138 24.010 8.478 -2.485 1.00 0.00 C ATOM 1231 CG ARG A 138 24.544 8.780 -1.084 1.00 0.00 C ATOM 1232 CD ARG A 138 26.076 8.722 -1.097 1.00 0.00 C ATOM 1233 NE ARG A 138 26.695 9.879 -1.761 1.00 0.00 N ATOM 1234 CZ ARG A 138 26.898 11.074 -1.201 1.00 0.00 C ATOM 1235 NH1 ARG A 138 26.404 11.364 -0.003 1.00 0.00 N ATOM 1236 NH2 ARG A 138 27.598 11.979 -1.867 1.00 0.00 N ATOM 0 H ARG A 138 23.019 6.999 -4.181 1.00 0.00 H new ATOM 0 HA ARG A 138 22.314 7.641 -1.505 1.00 0.00 H new ATOM 0 HB2 ARG A 138 24.592 7.669 -2.926 1.00 0.00 H new ATOM 0 HB3 ARG A 138 24.148 9.353 -3.120 1.00 0.00 H new ATOM 0 HG2 ARG A 138 24.210 9.766 -0.760 1.00 0.00 H new ATOM 0 HG3 ARG A 138 24.148 8.059 -0.369 1.00 0.00 H new ATOM 0 HD2 ARG A 138 26.439 8.663 -0.071 1.00 0.00 H new ATOM 0 HD3 ARG A 138 26.394 7.809 -1.601 1.00 0.00 H new ATOM 0 HE ARG A 138 26.994 9.759 -2.729 1.00 0.00 H new ATOM 0 HH11 ARG A 138 25.859 10.668 0.506 1.00 0.00 H new ATOM 0 HH12 ARG A 138 26.570 12.283 0.408 1.00 0.00 H new ATOM 0 HH21 ARG A 138 27.971 11.757 -2.790 1.00 0.00 H new ATOM 0 HH22 ARG A 138 27.764 12.898 -1.457 1.00 0.00 H new ATOM 1250 N SER A 139 21.141 9.648 -3.787 1.00 0.00 N ATOM 1251 CA SER A 139 20.130 10.690 -3.940 1.00 0.00 C ATOM 1252 C SER A 139 18.885 10.334 -3.118 1.00 0.00 C ATOM 1253 O SER A 139 18.395 11.154 -2.341 1.00 0.00 O ATOM 1254 CB SER A 139 19.815 10.868 -5.430 1.00 0.00 C ATOM 1255 OG SER A 139 21.035 11.005 -6.139 1.00 0.00 O ATOM 0 H SER A 139 21.436 9.223 -4.666 1.00 0.00 H new ATOM 0 HA SER A 139 20.502 11.642 -3.560 1.00 0.00 H new ATOM 0 HB2 SER A 139 19.255 10.010 -5.803 1.00 0.00 H new ATOM 0 HB3 SER A 139 19.189 11.747 -5.582 1.00 0.00 H new ATOM 0 HG SER A 139 20.847 11.118 -7.094 1.00 0.00 H new ATOM 1261 N LEU A 140 18.408 9.086 -3.225 1.00 0.00 N ATOM 1262 CA LEU A 140 17.238 8.614 -2.491 1.00 0.00 C ATOM 1263 C LEU A 140 17.517 8.551 -0.992 1.00 0.00 C ATOM 1264 O LEU A 140 16.681 8.973 -0.190 1.00 0.00 O ATOM 1265 CB LEU A 140 16.808 7.209 -2.952 1.00 0.00 C ATOM 1266 CG LEU A 140 16.391 7.040 -4.420 1.00 0.00 C ATOM 1267 CD1 LEU A 140 15.835 5.633 -4.603 1.00 0.00 C ATOM 1268 CD2 LEU A 140 15.324 8.043 -4.861 1.00 0.00 C ATOM 0 H LEU A 140 18.828 8.377 -3.826 1.00 0.00 H new ATOM 0 HA LEU A 140 16.440 9.328 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 140 17.633 6.524 -2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 140 15.974 6.891 -2.327 1.00 0.00 H new ATOM 0 HG LEU A 140 17.275 7.216 -5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 140 15.533 5.493 -5.641 1.00 0.00 H new ATOM 0 HD12 LEU A 140 16.602 4.902 -4.347 1.00 0.00 H new ATOM 0 HD13 LEU A 140 14.972 5.495 -3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 140 15.073 7.871 -5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 140 14.431 7.917 -4.248 1.00 0.00 H new ATOM 0 HD23 LEU A 140 15.706 9.057 -4.742 1.00 0.00 H new ATOM 1280 N CYS A 141 18.662 7.982 -0.604 1.00 0.00 N ATOM 1281 CA CYS A 141 19.089 7.880 0.788 1.00 0.00 C ATOM 1282 C CYS A 141 19.192 9.281 1.407 1.00 0.00 C ATOM 1283 O CYS A 141 18.702 9.507 2.514 1.00 0.00 O ATOM 1284 CB CYS A 141 20.431 7.125 0.874 1.00 0.00 C ATOM 1285 SG CYS A 141 20.596 6.303 2.489 1.00 0.00 S ATOM 0 H CYS A 141 19.326 7.574 -1.261 1.00 0.00 H new ATOM 0 HA CYS A 141 18.350 7.315 1.355 1.00 0.00 H new ATOM 0 HB2 CYS A 141 20.491 6.386 0.075 1.00 0.00 H new ATOM 0 HB3 CYS A 141 21.257 7.821 0.727 1.00 0.00 H new ATOM 0 HG CYS A 141 21.731 5.671 2.541 1.00 0.00 H new ATOM 1291 N ALA A 142 19.815 10.217 0.689 1.00 0.00 N ATOM 1292 CA ALA A 142 19.999 11.596 1.086 1.00 0.00 C ATOM 1293 C ALA A 142 18.640 12.244 1.300 1.00 0.00 C ATOM 1294 O ALA A 142 18.348 12.623 2.425 1.00 0.00 O ATOM 1295 CB ALA A 142 20.864 12.363 0.077 1.00 0.00 C ATOM 0 H ALA A 142 20.220 10.015 -0.225 1.00 0.00 H new ATOM 0 HA ALA A 142 20.544 11.628 2.029 1.00 0.00 H new ATOM 0 HB1 ALA A 142 20.981 13.395 0.408 1.00 0.00 H new ATOM 0 HB2 ALA A 142 21.844 11.892 0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 142 20.382 12.348 -0.901 1.00 0.00 H new ATOM 1301 N GLN A 143 17.793 12.361 0.272 1.00 0.00 N ATOM 1302 CA GLN A 143 16.536 13.104 0.388 1.00 0.00 C ATOM 1303 C GLN A 143 15.595 12.546 1.462 1.00 0.00 C ATOM 1304 O GLN A 143 14.860 13.326 2.074 1.00 0.00 O ATOM 1305 CB GLN A 143 15.859 13.241 -0.988 1.00 0.00 C ATOM 1306 CG GLN A 143 16.063 14.672 -1.509 1.00 0.00 C ATOM 1307 CD GLN A 143 15.682 14.845 -2.976 1.00 0.00 C ATOM 1308 OE1 GLN A 143 14.593 14.497 -3.422 1.00 0.00 O ATOM 1309 NE2 GLN A 143 16.546 15.462 -3.764 1.00 0.00 N ATOM 0 H GLN A 143 17.956 11.951 -0.648 1.00 0.00 H new ATOM 0 HA GLN A 143 16.786 14.106 0.737 1.00 0.00 H new ATOM 0 HB2 GLN A 143 16.283 12.522 -1.689 1.00 0.00 H new ATOM 0 HB3 GLN A 143 14.795 13.018 -0.907 1.00 0.00 H new ATOM 0 HG2 GLN A 143 15.470 15.358 -0.904 1.00 0.00 H new ATOM 0 HG3 GLN A 143 17.108 14.953 -1.378 1.00 0.00 H new ATOM 0 HE21 GLN A 143 17.452 15.753 -3.398 1.00 0.00 H new ATOM 0 HE22 GLN A 143 16.306 15.647 -4.738 1.00 0.00 H new ATOM 1318 N ALA A 144 15.647 11.244 1.753 1.00 0.00 N ATOM 1319 CA ALA A 144 14.935 10.637 2.879 1.00 0.00 C ATOM 1320 C ALA A 144 15.425 11.101 4.265 1.00 0.00 C ATOM 1321 O ALA A 144 14.762 10.836 5.269 1.00 0.00 O ATOM 1322 CB ALA A 144 15.041 9.121 2.756 1.00 0.00 C ATOM 0 H ALA A 144 16.190 10.575 1.208 1.00 0.00 H new ATOM 0 HA ALA A 144 13.898 10.968 2.821 1.00 0.00 H new ATOM 0 HB1 ALA A 144 14.516 8.651 3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 144 14.593 8.800 1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 144 16.090 8.827 2.777 1.00 0.00 H new ATOM 1328 N GLN A 145 16.574 11.769 4.337 1.00 0.00 N ATOM 1329 CA GLN A 145 17.319 12.154 5.533 1.00 0.00 C ATOM 1330 C GLN A 145 17.847 13.593 5.363 1.00 0.00 C ATOM 1331 O GLN A 145 18.829 13.981 5.995 1.00 0.00 O ATOM 1332 CB GLN A 145 18.454 11.131 5.764 1.00 0.00 C ATOM 1333 CG GLN A 145 17.932 9.733 6.150 1.00 0.00 C ATOM 1334 CD GLN A 145 19.012 8.654 6.117 1.00 0.00 C ATOM 1335 OE1 GLN A 145 19.271 7.958 7.091 1.00 0.00 O ATOM 1336 NE2 GLN A 145 19.617 8.427 4.965 1.00 0.00 N ATOM 0 H GLN A 145 17.047 12.081 3.489 1.00 0.00 H new ATOM 0 HA GLN A 145 16.678 12.145 6.415 1.00 0.00 H new ATOM 0 HB2 GLN A 145 19.055 11.052 4.858 1.00 0.00 H new ATOM 0 HB3 GLN A 145 19.112 11.498 6.552 1.00 0.00 H new ATOM 0 HG2 GLN A 145 17.503 9.777 7.151 1.00 0.00 H new ATOM 0 HG3 GLN A 145 17.127 9.453 5.470 1.00 0.00 H new ATOM 0 HE21 GLN A 145 19.402 9.006 4.153 1.00 0.00 H new ATOM 0 HE22 GLN A 145 20.299 7.673 4.887 1.00 0.00 H new