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 114 TYR OH : rot -38:sc= 1.2 USER MOD Set 1.2: A 118 GLN : amide:sc= 1.01 K(o=2.2,f=0.46) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 30:sc= -0.128 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 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= -0.284 X(o=-0.28,f=0) USER MOD Single : A 88 ASN : amide:sc= -0.0442 X(o=-0.044,f=-0.044) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 163:sc= -0.0174 (180deg=-0.227) USER MOD Single : A 106 THR OG1 : rot 170:sc= -0.849 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 30:sc= 0 USER MOD Single : A 122 GLN : amide:sc= -0.0956 K(o=-0.096,f=-0.86) USER MOD Single : A 130 HIS :FLIP no HD1:sc= -1.38 F(o=-2.3!,f=-1.4) USER MOD Single : A 131 THR OG1 : rot 74:sc= 0.149 USER MOD Single : A 134 GLN : amide:sc=-0.00305 X(o=-0.003,f=-0.003) USER MOD Single : A 135 MET CE :methyl -159:sc= -1.66 (180deg=-2.9) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 141 CYS SG : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 145 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 52 N TRP A 64 2.277 5.612 2.888 1.00 0.00 N ATOM 53 CA TRP A 64 3.193 5.923 1.812 1.00 0.00 C ATOM 54 C TRP A 64 3.210 7.422 1.567 1.00 0.00 C ATOM 55 O TRP A 64 4.135 8.112 1.984 1.00 0.00 O ATOM 56 CB TRP A 64 2.923 5.072 0.548 1.00 0.00 C ATOM 57 CG TRP A 64 1.587 4.389 0.427 1.00 0.00 C ATOM 58 CD1 TRP A 64 1.246 3.189 0.951 1.00 0.00 C ATOM 59 CD2 TRP A 64 0.403 4.848 -0.271 1.00 0.00 C ATOM 60 NE1 TRP A 64 -0.070 2.896 0.675 1.00 0.00 N ATOM 61 CE2 TRP A 64 -0.638 3.886 -0.102 1.00 0.00 C ATOM 62 CE3 TRP A 64 0.128 5.993 -1.039 1.00 0.00 C ATOM 63 CZ2 TRP A 64 -1.904 4.067 -0.677 1.00 0.00 C ATOM 64 CZ3 TRP A 64 -1.137 6.180 -1.626 1.00 0.00 C ATOM 65 CH2 TRP A 64 -2.144 5.215 -1.452 1.00 0.00 C ATOM 0 HA TRP A 64 4.203 5.641 2.109 1.00 0.00 H new ATOM 0 HB2 TRP A 64 3.048 5.717 -0.322 1.00 0.00 H new ATOM 0 HB3 TRP A 64 3.696 4.306 0.490 1.00 0.00 H new ATOM 0 HD1 TRP A 64 1.914 2.550 1.509 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.559 2.062 1.000 1.00 0.00 H new ATOM 0 HE3 TRP A 64 0.897 6.738 -1.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.684 3.335 -0.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.334 7.066 -2.211 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -3.109 5.356 -1.917 1.00 0.00 H new ATOM 76 N GLY A 65 2.195 7.932 0.875 1.00 0.00 N ATOM 77 CA GLY A 65 2.173 9.303 0.397 1.00 0.00 C ATOM 78 C GLY A 65 3.449 9.630 -0.367 1.00 0.00 C ATOM 79 O GLY A 65 3.709 9.027 -1.415 1.00 0.00 O ATOM 0 H GLY A 65 1.361 7.398 0.631 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.308 9.454 -0.249 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.064 9.985 1.240 1.00 0.00 H new ATOM 83 N ARG A 66 4.273 10.541 0.164 1.00 0.00 N ATOM 84 CA ARG A 66 5.556 10.908 -0.440 1.00 0.00 C ATOM 85 C ARG A 66 6.487 9.706 -0.598 1.00 0.00 C ATOM 86 O ARG A 66 7.281 9.705 -1.534 1.00 0.00 O ATOM 87 CB ARG A 66 6.236 12.034 0.365 1.00 0.00 C ATOM 88 CG ARG A 66 6.046 13.422 -0.256 1.00 0.00 C ATOM 89 CD ARG A 66 4.590 13.920 -0.263 1.00 0.00 C ATOM 90 NE ARG A 66 4.459 15.114 -1.116 1.00 0.00 N ATOM 91 CZ ARG A 66 4.593 15.117 -2.448 1.00 0.00 C ATOM 92 NH1 ARG A 66 4.429 13.992 -3.137 1.00 0.00 N ATOM 93 NH2 ARG A 66 4.912 16.237 -3.079 1.00 0.00 N ATOM 0 H ARG A 66 4.067 11.045 1.027 1.00 0.00 H new ATOM 0 HA ARG A 66 5.346 11.278 -1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.836 12.039 1.379 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.302 11.822 0.444 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.660 14.138 0.290 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.416 13.402 -1.281 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.931 13.132 -0.627 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.275 14.155 0.754 1.00 0.00 H new ATOM 0 HE ARG A 66 4.251 16.002 -0.659 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.201 13.125 -2.651 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.531 13.996 -4.152 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.056 17.097 -2.550 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.014 16.239 -4.094 1.00 0.00 H new ATOM 107 N LEU A 67 6.350 8.648 0.208 1.00 0.00 N ATOM 108 CA LEU A 67 7.100 7.404 0.045 1.00 0.00 C ATOM 109 C LEU A 67 7.001 6.889 -1.390 1.00 0.00 C ATOM 110 O LEU A 67 8.021 6.620 -2.023 1.00 0.00 O ATOM 111 CB LEU A 67 6.598 6.358 1.048 1.00 0.00 C ATOM 112 CG LEU A 67 7.537 5.151 1.206 1.00 0.00 C ATOM 113 CD1 LEU A 67 7.438 4.596 2.630 1.00 0.00 C ATOM 114 CD2 LEU A 67 7.225 4.019 0.228 1.00 0.00 C ATOM 0 H LEU A 67 5.707 8.634 1.000 1.00 0.00 H new ATOM 0 HA LEU A 67 8.153 7.600 0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.466 6.834 2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.617 6.005 0.730 1.00 0.00 H new ATOM 0 HG LEU A 67 8.542 5.514 0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.106 3.741 2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.724 5.369 3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.413 4.282 2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.922 3.196 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.206 3.668 0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.325 4.384 -0.794 1.00 0.00 H new ATOM 126 N ALA A 68 5.778 6.784 -1.922 1.00 0.00 N ATOM 127 CA ALA A 68 5.565 6.279 -3.269 1.00 0.00 C ATOM 128 C ALA A 68 6.198 7.203 -4.325 1.00 0.00 C ATOM 129 O ALA A 68 6.487 6.737 -5.420 1.00 0.00 O ATOM 130 CB ALA A 68 4.066 6.075 -3.531 1.00 0.00 C ATOM 0 H ALA A 68 4.922 7.045 -1.432 1.00 0.00 H new ATOM 0 HA ALA A 68 6.062 5.312 -3.352 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.922 5.697 -4.543 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.666 5.357 -2.815 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.545 7.026 -3.421 1.00 0.00 H new ATOM 136 N CYS A 69 6.452 8.486 -4.028 1.00 0.00 N ATOM 137 CA CYS A 69 7.095 9.409 -4.960 1.00 0.00 C ATOM 138 C CYS A 69 8.562 9.036 -5.188 1.00 0.00 C ATOM 139 O CYS A 69 9.052 9.182 -6.308 1.00 0.00 O ATOM 140 CB CYS A 69 6.976 10.855 -4.459 1.00 0.00 C ATOM 141 SG CYS A 69 7.358 12.022 -5.799 1.00 0.00 S ATOM 0 H CYS A 69 6.214 8.909 -3.131 1.00 0.00 H new ATOM 0 HA CYS A 69 6.578 9.331 -5.916 1.00 0.00 H new ATOM 0 HB2 CYS A 69 5.968 11.036 -4.087 1.00 0.00 H new ATOM 0 HB3 CYS A 69 7.658 11.015 -3.624 1.00 0.00 H new ATOM 0 HG CYS A 69 7.250 13.240 -5.358 1.00 0.00 H new ATOM 147 N TYR A 70 9.277 8.539 -4.173 1.00 0.00 N ATOM 148 CA TYR A 70 10.623 8.018 -4.400 1.00 0.00 C ATOM 149 C TYR A 70 10.525 6.775 -5.291 1.00 0.00 C ATOM 150 O TYR A 70 11.288 6.614 -6.242 1.00 0.00 O ATOM 151 CB TYR A 70 11.326 7.658 -3.087 1.00 0.00 C ATOM 152 CG TYR A 70 11.434 8.753 -2.039 1.00 0.00 C ATOM 153 CD1 TYR A 70 10.419 8.898 -1.079 1.00 0.00 C ATOM 154 CD2 TYR A 70 12.567 9.584 -1.976 1.00 0.00 C ATOM 155 CE1 TYR A 70 10.518 9.853 -0.056 1.00 0.00 C ATOM 156 CE2 TYR A 70 12.671 10.560 -0.966 1.00 0.00 C ATOM 157 CZ TYR A 70 11.649 10.692 0.002 1.00 0.00 C ATOM 158 OH TYR A 70 11.771 11.588 1.018 1.00 0.00 O ATOM 0 H TYR A 70 8.953 8.488 -3.207 1.00 0.00 H new ATOM 0 HA TYR A 70 11.215 8.794 -4.885 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.800 6.814 -2.642 1.00 0.00 H new ATOM 0 HB3 TYR A 70 12.333 7.316 -3.325 1.00 0.00 H new ATOM 0 HD1 TYR A 70 9.547 8.263 -1.129 1.00 0.00 H new ATOM 0 HD2 TYR A 70 13.358 9.474 -2.703 1.00 0.00 H new ATOM 0 HE1 TYR A 70 9.734 9.944 0.681 1.00 0.00 H new ATOM 0 HE2 TYR A 70 13.533 11.209 -0.931 1.00 0.00 H new ATOM 0 HH TYR A 70 11.323 11.239 1.817 1.00 0.00 H new ATOM 168 N LEU A 71 9.565 5.890 -4.998 1.00 0.00 N ATOM 169 CA LEU A 71 9.379 4.634 -5.724 1.00 0.00 C ATOM 170 C LEU A 71 8.793 4.846 -7.131 1.00 0.00 C ATOM 171 O LEU A 71 8.621 3.876 -7.869 1.00 0.00 O ATOM 172 CB LEU A 71 8.504 3.655 -4.922 1.00 0.00 C ATOM 173 CG LEU A 71 8.882 3.444 -3.442 1.00 0.00 C ATOM 174 CD1 LEU A 71 7.979 2.367 -2.840 1.00 0.00 C ATOM 175 CD2 LEU A 71 10.340 3.042 -3.207 1.00 0.00 C ATOM 0 H LEU A 71 8.892 6.029 -4.244 1.00 0.00 H new ATOM 0 HA LEU A 71 10.371 4.200 -5.849 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.473 4.007 -4.963 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.530 2.687 -5.422 1.00 0.00 H new ATOM 0 HG LEU A 71 8.746 4.412 -2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.243 2.214 -1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.938 2.684 -2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.111 1.434 -3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.515 2.916 -2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.546 2.104 -3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.999 3.820 -3.593 1.00 0.00 H new ATOM 187 N GLU A 72 8.476 6.083 -7.514 1.00 0.00 N ATOM 188 CA GLU A 72 7.999 6.458 -8.839 1.00 0.00 C ATOM 189 C GLU A 72 9.159 6.796 -9.784 1.00 0.00 C ATOM 190 O GLU A 72 8.907 7.009 -10.971 1.00 0.00 O ATOM 191 CB GLU A 72 7.043 7.659 -8.707 1.00 0.00 C ATOM 192 CG GLU A 72 5.593 7.244 -8.437 1.00 0.00 C ATOM 193 CD GLU A 72 4.828 7.076 -9.746 1.00 0.00 C ATOM 194 OE1 GLU A 72 4.307 8.096 -10.260 1.00 0.00 O ATOM 195 OE2 GLU A 72 4.741 5.928 -10.238 1.00 0.00 O ATOM 0 H GLU A 72 8.548 6.881 -6.882 1.00 0.00 H new ATOM 0 HA GLU A 72 7.470 5.609 -9.272 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.387 8.303 -7.898 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.082 8.249 -9.623 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.575 6.309 -7.877 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.104 7.996 -7.818 1.00 0.00 H new ATOM 202 N PHE A 73 10.409 6.873 -9.311 1.00 0.00 N ATOM 203 CA PHE A 73 11.542 7.213 -10.173 1.00 0.00 C ATOM 204 C PHE A 73 12.035 5.936 -10.879 1.00 0.00 C ATOM 205 O PHE A 73 11.814 5.763 -12.078 1.00 0.00 O ATOM 206 CB PHE A 73 12.585 8.043 -9.384 1.00 0.00 C ATOM 207 CG PHE A 73 13.959 7.435 -9.223 1.00 0.00 C ATOM 208 CD1 PHE A 73 14.932 7.595 -10.225 1.00 0.00 C ATOM 209 CD2 PHE A 73 14.243 6.651 -8.092 1.00 0.00 C ATOM 210 CE1 PHE A 73 16.177 6.955 -10.102 1.00 0.00 C ATOM 211 CE2 PHE A 73 15.464 5.969 -8.002 1.00 0.00 C ATOM 212 CZ PHE A 73 16.435 6.122 -9.002 1.00 0.00 C ATOM 0 H PHE A 73 10.659 6.704 -8.337 1.00 0.00 H new ATOM 0 HA PHE A 73 11.263 7.882 -10.987 1.00 0.00 H new ATOM 0 HB2 PHE A 73 12.696 9.008 -9.879 1.00 0.00 H new ATOM 0 HB3 PHE A 73 12.182 8.239 -8.391 1.00 0.00 H new ATOM 0 HD1 PHE A 73 14.723 8.209 -11.088 1.00 0.00 H new ATOM 0 HD2 PHE A 73 13.521 6.574 -7.293 1.00 0.00 H new ATOM 0 HE1 PHE A 73 16.937 7.104 -10.855 1.00 0.00 H new ATOM 0 HE2 PHE A 73 15.658 5.323 -7.159 1.00 0.00 H new ATOM 0 HZ PHE A 73 17.378 5.601 -8.926 1.00 0.00 H new ATOM 222 N LEU A 74 12.630 5.002 -10.135 1.00 0.00 N ATOM 223 CA LEU A 74 13.124 3.716 -10.625 1.00 0.00 C ATOM 224 C LEU A 74 11.989 2.810 -11.097 1.00 0.00 C ATOM 225 O LEU A 74 10.811 3.031 -10.793 1.00 0.00 O ATOM 226 CB LEU A 74 14.047 3.053 -9.581 1.00 0.00 C ATOM 227 CG LEU A 74 13.424 2.455 -8.302 1.00 0.00 C ATOM 228 CD1 LEU A 74 14.554 2.128 -7.311 1.00 0.00 C ATOM 229 CD2 LEU A 74 12.406 3.344 -7.577 1.00 0.00 C ATOM 0 H LEU A 74 12.787 5.127 -9.135 1.00 0.00 H new ATOM 0 HA LEU A 74 13.733 3.897 -11.511 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.593 2.255 -10.085 1.00 0.00 H new ATOM 0 HB3 LEU A 74 14.782 3.797 -9.272 1.00 0.00 H new ATOM 0 HG LEU A 74 12.872 1.577 -8.637 1.00 0.00 H new ATOM 0 HD11 LEU A 74 14.129 1.704 -6.401 1.00 0.00 H new ATOM 0 HD12 LEU A 74 15.237 1.408 -7.762 1.00 0.00 H new ATOM 0 HD13 LEU A 74 15.099 3.040 -7.066 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.033 2.825 -6.694 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.886 4.275 -7.275 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.574 3.565 -8.246 1.00 0.00 H new ATOM 241 N LYS A 75 12.357 1.754 -11.819 1.00 0.00 N ATOM 242 CA LYS A 75 11.506 0.640 -12.240 1.00 0.00 C ATOM 243 C LYS A 75 12.254 -0.655 -11.916 1.00 0.00 C ATOM 244 O LYS A 75 13.195 -0.606 -11.123 1.00 0.00 O ATOM 245 CB LYS A 75 11.111 0.821 -13.720 1.00 0.00 C ATOM 246 CG LYS A 75 9.898 1.752 -13.896 1.00 0.00 C ATOM 247 CD LYS A 75 8.577 1.023 -13.586 1.00 0.00 C ATOM 248 CE LYS A 75 7.400 1.949 -13.251 1.00 0.00 C ATOM 249 NZ LYS A 75 7.160 3.032 -14.229 1.00 0.00 N ATOM 0 H LYS A 75 13.317 1.645 -12.147 1.00 0.00 H new ATOM 0 HA LYS A 75 10.558 0.603 -11.704 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.959 1.226 -14.272 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.884 -0.153 -14.154 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.002 2.615 -13.238 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.874 2.131 -14.918 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.306 0.409 -14.445 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.739 0.345 -12.748 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.495 1.347 -13.169 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.576 2.396 -12.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.348 3.605 -13.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.005 3.635 -14.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.958 2.619 -15.162 1.00 0.00 H new ATOM 263 N LYS A 76 11.805 -1.812 -12.425 1.00 0.00 N ATOM 264 CA LYS A 76 12.224 -3.153 -11.990 1.00 0.00 C ATOM 265 C LYS A 76 13.738 -3.301 -11.975 1.00 0.00 C ATOM 266 O LYS A 76 14.239 -4.025 -11.122 1.00 0.00 O ATOM 267 CB LYS A 76 11.584 -4.277 -12.823 1.00 0.00 C ATOM 268 CG LYS A 76 10.065 -4.402 -12.627 1.00 0.00 C ATOM 269 CD LYS A 76 9.234 -3.485 -13.536 1.00 0.00 C ATOM 270 CE LYS A 76 7.758 -3.743 -13.243 1.00 0.00 C ATOM 271 NZ LYS A 76 6.867 -3.060 -14.195 1.00 0.00 N ATOM 0 H LYS A 76 11.116 -1.841 -13.177 1.00 0.00 H new ATOM 0 HA LYS A 76 11.860 -3.257 -10.968 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.792 -4.099 -13.878 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.055 -5.225 -12.561 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.771 -5.436 -12.807 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.825 -4.179 -11.588 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.482 -2.440 -13.352 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.455 -3.685 -14.584 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.566 -4.816 -13.276 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.528 -3.409 -12.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.877 -3.267 -13.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.028 -2.034 -14.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.065 -3.396 -15.159 1.00 0.00 H new ATOM 285 N GLU A 77 14.430 -2.570 -12.841 1.00 0.00 N ATOM 286 CA GLU A 77 15.881 -2.481 -12.949 1.00 0.00 C ATOM 287 C GLU A 77 16.562 -2.387 -11.583 1.00 0.00 C ATOM 288 O GLU A 77 17.541 -3.098 -11.346 1.00 0.00 O ATOM 289 CB GLU A 77 16.257 -1.290 -13.846 1.00 0.00 C ATOM 290 CG GLU A 77 15.409 -1.255 -15.123 1.00 0.00 C ATOM 291 CD GLU A 77 16.088 -0.490 -16.248 1.00 0.00 C ATOM 292 OE1 GLU A 77 16.869 -1.117 -16.996 1.00 0.00 O ATOM 293 OE2 GLU A 77 15.738 0.696 -16.471 1.00 0.00 O ATOM 0 H GLU A 77 13.961 -1.985 -13.532 1.00 0.00 H new ATOM 0 HA GLU A 77 16.244 -3.402 -13.405 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.122 -0.360 -13.293 1.00 0.00 H new ATOM 0 HB3 GLU A 77 17.312 -1.352 -14.111 1.00 0.00 H new ATOM 0 HG2 GLU A 77 15.208 -2.275 -15.450 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.446 -0.795 -14.904 1.00 0.00 H new ATOM 300 N GLU A 78 16.025 -1.576 -10.665 1.00 0.00 N ATOM 301 CA GLU A 78 16.524 -1.454 -9.308 1.00 0.00 C ATOM 302 C GLU A 78 15.388 -1.702 -8.302 1.00 0.00 C ATOM 303 O GLU A 78 15.636 -2.280 -7.257 1.00 0.00 O ATOM 304 CB GLU A 78 17.209 -0.085 -9.160 1.00 0.00 C ATOM 305 CG GLU A 78 18.565 -0.006 -9.896 1.00 0.00 C ATOM 306 CD GLU A 78 18.662 1.030 -11.024 1.00 0.00 C ATOM 307 OE1 GLU A 78 17.642 1.435 -11.629 1.00 0.00 O ATOM 308 OE2 GLU A 78 19.811 1.437 -11.321 1.00 0.00 O ATOM 0 H GLU A 78 15.219 -0.980 -10.856 1.00 0.00 H new ATOM 0 HA GLU A 78 17.275 -2.214 -9.090 1.00 0.00 H new ATOM 0 HB2 GLU A 78 16.547 0.690 -9.546 1.00 0.00 H new ATOM 0 HB3 GLU A 78 17.363 0.125 -8.102 1.00 0.00 H new ATOM 0 HG2 GLU A 78 19.341 0.212 -9.162 1.00 0.00 H new ATOM 0 HG3 GLU A 78 18.787 -0.988 -10.313 1.00 0.00 H new ATOM 315 N LEU A 79 14.116 -1.421 -8.613 1.00 0.00 N ATOM 316 CA LEU A 79 12.966 -1.813 -7.772 1.00 0.00 C ATOM 317 C LEU A 79 12.984 -3.304 -7.380 1.00 0.00 C ATOM 318 O LEU A 79 12.532 -3.681 -6.292 1.00 0.00 O ATOM 319 CB LEU A 79 11.672 -1.489 -8.536 1.00 0.00 C ATOM 320 CG LEU A 79 10.355 -1.931 -7.872 1.00 0.00 C ATOM 321 CD1 LEU A 79 10.064 -1.069 -6.647 1.00 0.00 C ATOM 322 CD2 LEU A 79 9.219 -1.890 -8.897 1.00 0.00 C ATOM 0 H LEU A 79 13.849 -0.914 -9.457 1.00 0.00 H new ATOM 0 HA LEU A 79 13.025 -1.250 -6.841 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.630 -0.411 -8.694 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.731 -1.954 -9.520 1.00 0.00 H new ATOM 0 HG LEU A 79 10.446 -2.960 -7.523 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.130 -1.393 -6.188 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.877 -1.172 -5.928 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.977 -0.025 -6.949 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.289 -2.204 -8.422 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.108 -0.874 -9.277 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.450 -2.563 -9.723 1.00 0.00 H new ATOM 334 N LYS A 80 13.464 -4.180 -8.267 1.00 0.00 N ATOM 335 CA LYS A 80 13.658 -5.600 -7.945 1.00 0.00 C ATOM 336 C LYS A 80 14.672 -5.747 -6.827 1.00 0.00 C ATOM 337 O LYS A 80 14.334 -6.397 -5.839 1.00 0.00 O ATOM 338 CB LYS A 80 14.025 -6.428 -9.190 1.00 0.00 C ATOM 339 CG LYS A 80 14.239 -7.927 -8.901 1.00 0.00 C ATOM 340 CD LYS A 80 13.007 -8.671 -8.351 1.00 0.00 C ATOM 341 CE LYS A 80 13.308 -9.361 -7.014 1.00 0.00 C ATOM 342 NZ LYS A 80 14.046 -10.630 -7.187 1.00 0.00 N ATOM 0 H LYS A 80 13.727 -3.930 -9.220 1.00 0.00 H new ATOM 0 HA LYS A 80 12.711 -6.006 -7.590 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.234 -6.320 -9.932 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.934 -6.019 -9.631 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.558 -8.416 -9.821 1.00 0.00 H new ATOM 0 HG3 LYS A 80 15.055 -8.030 -8.186 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.186 -7.967 -8.220 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.677 -9.414 -9.077 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.890 -8.688 -6.384 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.372 -9.557 -6.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.225 -11.057 -6.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.481 -11.284 -7.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.952 -10.443 -7.662 1.00 0.00 H new ATOM 356 N GLU A 81 15.860 -5.154 -6.947 1.00 0.00 N ATOM 357 CA GLU A 81 16.820 -5.149 -5.852 1.00 0.00 C ATOM 358 C GLU A 81 16.184 -4.545 -4.616 1.00 0.00 C ATOM 359 O GLU A 81 16.281 -5.182 -3.585 1.00 0.00 O ATOM 360 CB GLU A 81 18.154 -4.487 -6.218 1.00 0.00 C ATOM 361 CG GLU A 81 19.057 -5.489 -6.941 1.00 0.00 C ATOM 362 CD GLU A 81 20.163 -6.169 -6.126 1.00 0.00 C ATOM 363 OE1 GLU A 81 21.129 -5.508 -5.703 1.00 0.00 O ATOM 364 OE2 GLU A 81 20.142 -7.420 -6.023 1.00 0.00 O ATOM 0 H GLU A 81 16.176 -4.674 -7.789 1.00 0.00 H new ATOM 0 HA GLU A 81 17.082 -6.184 -5.633 1.00 0.00 H new ATOM 0 HB2 GLU A 81 17.976 -3.620 -6.855 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.648 -4.124 -5.317 1.00 0.00 H new ATOM 0 HG2 GLU A 81 18.423 -6.269 -7.362 1.00 0.00 H new ATOM 0 HG3 GLU A 81 19.527 -4.974 -7.779 1.00 0.00 H new ATOM 371 N PHE A 82 15.452 -3.432 -4.689 1.00 0.00 N ATOM 372 CA PHE A 82 14.828 -2.834 -3.512 1.00 0.00 C ATOM 373 C PHE A 82 14.052 -3.897 -2.728 1.00 0.00 C ATOM 374 O PHE A 82 14.394 -4.187 -1.590 1.00 0.00 O ATOM 375 CB PHE A 82 13.964 -1.623 -3.905 1.00 0.00 C ATOM 376 CG PHE A 82 13.425 -0.758 -2.770 1.00 0.00 C ATOM 377 CD1 PHE A 82 12.631 -1.291 -1.730 1.00 0.00 C ATOM 378 CD2 PHE A 82 13.649 0.632 -2.802 1.00 0.00 C ATOM 379 CE1 PHE A 82 12.119 -0.458 -0.721 1.00 0.00 C ATOM 380 CE2 PHE A 82 13.032 1.473 -1.861 1.00 0.00 C ATOM 381 CZ PHE A 82 12.288 0.929 -0.807 1.00 0.00 C ATOM 0 H PHE A 82 15.277 -2.926 -5.557 1.00 0.00 H new ATOM 0 HA PHE A 82 15.603 -2.452 -2.847 1.00 0.00 H new ATOM 0 HB2 PHE A 82 14.553 -0.987 -4.565 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.116 -1.986 -4.486 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.415 -2.349 -1.710 1.00 0.00 H new ATOM 0 HD2 PHE A 82 14.299 1.054 -3.554 1.00 0.00 H new ATOM 0 HE1 PHE A 82 11.595 -0.887 0.120 1.00 0.00 H new ATOM 0 HE2 PHE A 82 13.132 2.545 -1.951 1.00 0.00 H new ATOM 0 HZ PHE A 82 11.847 1.576 -0.064 1.00 0.00 H new ATOM 391 N GLN A 83 13.032 -4.534 -3.310 1.00 0.00 N ATOM 392 CA GLN A 83 12.220 -5.483 -2.541 1.00 0.00 C ATOM 393 C GLN A 83 13.030 -6.725 -2.115 1.00 0.00 C ATOM 394 O GLN A 83 12.698 -7.365 -1.112 1.00 0.00 O ATOM 395 CB GLN A 83 10.985 -5.876 -3.369 1.00 0.00 C ATOM 396 CG GLN A 83 9.884 -6.572 -2.549 1.00 0.00 C ATOM 397 CD GLN A 83 8.686 -7.067 -3.367 1.00 0.00 C ATOM 398 OE1 GLN A 83 7.936 -7.918 -2.898 1.00 0.00 O ATOM 399 NE2 GLN A 83 8.462 -6.567 -4.573 1.00 0.00 N ATOM 0 H GLN A 83 12.753 -4.416 -4.284 1.00 0.00 H new ATOM 0 HA GLN A 83 11.897 -4.998 -1.620 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.570 -4.981 -3.832 1.00 0.00 H new ATOM 0 HB3 GLN A 83 11.296 -6.538 -4.177 1.00 0.00 H new ATOM 0 HG2 GLN A 83 10.323 -7.421 -2.025 1.00 0.00 H new ATOM 0 HG3 GLN A 83 9.525 -5.879 -1.788 1.00 0.00 H new ATOM 0 HE21 GLN A 83 9.089 -5.860 -4.957 1.00 0.00 H new ATOM 0 HE22 GLN A 83 7.662 -6.889 -5.118 1.00 0.00 H new ATOM 408 N LEU A 84 14.082 -7.092 -2.848 1.00 0.00 N ATOM 409 CA LEU A 84 14.896 -8.263 -2.559 1.00 0.00 C ATOM 410 C LEU A 84 15.902 -7.962 -1.459 1.00 0.00 C ATOM 411 O LEU A 84 15.867 -8.612 -0.416 1.00 0.00 O ATOM 412 CB LEU A 84 15.426 -8.861 -3.865 1.00 0.00 C ATOM 413 CG LEU A 84 16.908 -8.695 -4.232 1.00 0.00 C ATOM 414 CD1 LEU A 84 17.735 -9.696 -3.423 1.00 0.00 C ATOM 415 CD2 LEU A 84 17.103 -8.959 -5.726 1.00 0.00 C ATOM 0 H LEU A 84 14.393 -6.574 -3.670 1.00 0.00 H new ATOM 0 HA LEU A 84 14.305 -9.070 -2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 84 15.214 -9.930 -3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 84 14.839 -8.436 -4.679 1.00 0.00 H new ATOM 0 HG LEU A 84 17.231 -7.679 -4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 84 18.789 -9.586 -3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 84 17.596 -9.507 -2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 84 17.410 -10.710 -3.657 1.00 0.00 H new ATOM 0 HD21 LEU A 84 18.156 -8.840 -5.982 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.785 -9.975 -5.961 1.00 0.00 H new ATOM 0 HD23 LEU A 84 16.507 -8.250 -6.301 1.00 0.00 H new ATOM 427 N LEU A 85 16.754 -6.959 -1.647 1.00 0.00 N ATOM 428 CA LEU A 85 17.705 -6.476 -0.659 1.00 0.00 C ATOM 429 C LEU A 85 17.017 -6.048 0.642 1.00 0.00 C ATOM 430 O LEU A 85 17.672 -6.006 1.688 1.00 0.00 O ATOM 431 CB LEU A 85 18.474 -5.264 -1.210 1.00 0.00 C ATOM 432 CG LEU A 85 19.273 -5.478 -2.507 1.00 0.00 C ATOM 433 CD1 LEU A 85 19.932 -4.151 -2.871 1.00 0.00 C ATOM 434 CD2 LEU A 85 20.313 -6.586 -2.397 1.00 0.00 C ATOM 0 H LEU A 85 16.800 -6.443 -2.526 1.00 0.00 H new ATOM 0 HA LEU A 85 18.383 -7.303 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 85 17.760 -4.458 -1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.164 -4.921 -0.439 1.00 0.00 H new ATOM 0 HG LEU A 85 18.586 -5.803 -3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 85 20.508 -4.270 -3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.164 -3.392 -3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 85 20.596 -3.841 -2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 85 20.841 -6.685 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 85 21.025 -6.340 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 85 19.818 -7.527 -2.157 1.00 0.00 H new ATOM 446 N LEU A 86 15.718 -5.734 0.596 1.00 0.00 N ATOM 447 CA LEU A 86 14.890 -5.431 1.755 1.00 0.00 C ATOM 448 C LEU A 86 14.787 -6.727 2.541 1.00 0.00 C ATOM 449 O LEU A 86 15.347 -6.849 3.627 1.00 0.00 O ATOM 450 CB LEU A 86 13.529 -4.885 1.268 1.00 0.00 C ATOM 451 CG LEU A 86 12.432 -4.466 2.268 1.00 0.00 C ATOM 452 CD1 LEU A 86 12.397 -5.239 3.581 1.00 0.00 C ATOM 453 CD2 LEU A 86 12.500 -2.961 2.516 1.00 0.00 C ATOM 0 H LEU A 86 15.202 -5.684 -0.282 1.00 0.00 H new ATOM 0 HA LEU A 86 15.305 -4.659 2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.739 -4.016 0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.095 -5.646 0.619 1.00 0.00 H new ATOM 0 HG LEU A 86 11.491 -4.732 1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.588 -4.860 4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.232 -6.297 3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 86 13.346 -5.114 4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.722 -2.673 3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 86 13.477 -2.704 2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.350 -2.430 1.576 1.00 0.00 H new ATOM 465 N ALA A 87 14.094 -7.707 1.966 1.00 0.00 N ATOM 466 CA ALA A 87 13.780 -8.978 2.589 1.00 0.00 C ATOM 467 C ALA A 87 15.047 -9.702 3.057 1.00 0.00 C ATOM 468 O ALA A 87 15.120 -10.139 4.205 1.00 0.00 O ATOM 469 CB ALA A 87 13.004 -9.788 1.554 1.00 0.00 C ATOM 0 H ALA A 87 13.725 -7.629 1.018 1.00 0.00 H new ATOM 0 HA ALA A 87 13.181 -8.836 3.488 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.742 -10.759 1.974 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.094 -9.253 1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 87 13.621 -9.931 0.667 1.00 0.00 H new ATOM 475 N ASN A 88 16.058 -9.777 2.190 1.00 0.00 N ATOM 476 CA ASN A 88 17.322 -10.472 2.424 1.00 0.00 C ATOM 477 C ASN A 88 18.186 -9.823 3.520 1.00 0.00 C ATOM 478 O ASN A 88 19.072 -10.478 4.075 1.00 0.00 O ATOM 479 CB ASN A 88 18.074 -10.538 1.089 1.00 0.00 C ATOM 480 CG ASN A 88 19.414 -11.247 1.206 1.00 0.00 C ATOM 481 OD1 ASN A 88 19.472 -12.472 1.258 1.00 0.00 O ATOM 482 ND2 ASN A 88 20.510 -10.507 1.197 1.00 0.00 N ATOM 0 H ASN A 88 16.016 -9.338 1.270 1.00 0.00 H new ATOM 0 HA ASN A 88 17.103 -11.473 2.797 1.00 0.00 H new ATOM 0 HB2 ASN A 88 17.457 -11.055 0.354 1.00 0.00 H new ATOM 0 HB3 ASN A 88 18.234 -9.526 0.716 1.00 0.00 H new ATOM 0 HD21 ASN A 88 21.427 -10.953 1.234 1.00 0.00 H new ATOM 0 HD22 ASN A 88 20.439 -9.490 1.153 1.00 0.00 H new ATOM 489 N LYS A 89 17.947 -8.553 3.871 1.00 0.00 N ATOM 490 CA LYS A 89 18.484 -7.924 5.071 1.00 0.00 C ATOM 491 C LYS A 89 17.575 -8.299 6.233 1.00 0.00 C ATOM 492 O LYS A 89 18.055 -8.771 7.259 1.00 0.00 O ATOM 493 CB LYS A 89 18.512 -6.401 4.843 1.00 0.00 C ATOM 494 CG LYS A 89 18.570 -5.530 6.108 1.00 0.00 C ATOM 495 CD LYS A 89 19.864 -5.670 6.910 1.00 0.00 C ATOM 496 CE LYS A 89 21.015 -5.027 6.139 1.00 0.00 C ATOM 497 NZ LYS A 89 22.301 -5.228 6.824 1.00 0.00 N ATOM 0 H LYS A 89 17.364 -7.928 3.315 1.00 0.00 H new ATOM 0 HA LYS A 89 19.498 -8.257 5.294 1.00 0.00 H new ATOM 0 HB2 LYS A 89 19.376 -6.163 4.222 1.00 0.00 H new ATOM 0 HB3 LYS A 89 17.624 -6.123 4.275 1.00 0.00 H new ATOM 0 HG2 LYS A 89 18.445 -4.486 5.822 1.00 0.00 H new ATOM 0 HG3 LYS A 89 17.728 -5.787 6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 89 19.754 -5.193 7.884 1.00 0.00 H new ATOM 0 HD3 LYS A 89 20.079 -6.723 7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 89 21.065 -5.452 5.137 1.00 0.00 H new ATOM 0 HE3 LYS A 89 20.826 -3.960 6.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 23.061 -4.779 6.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 22.260 -4.801 7.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 22.492 -6.247 6.912 1.00 0.00 H new ATOM 511 N ALA A 90 16.279 -8.023 6.060 1.00 0.00 N ATOM 512 CA ALA A 90 15.252 -8.006 7.079 1.00 0.00 C ATOM 513 C ALA A 90 15.282 -9.284 7.905 1.00 0.00 C ATOM 514 O ALA A 90 15.493 -9.228 9.118 1.00 0.00 O ATOM 515 CB ALA A 90 13.890 -7.793 6.408 1.00 0.00 C ATOM 0 H ALA A 90 15.906 -7.792 5.139 1.00 0.00 H new ATOM 0 HA ALA A 90 15.435 -7.184 7.771 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.108 -7.779 7.168 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.893 -6.844 5.872 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.699 -8.605 5.706 1.00 0.00 H new ATOM 712 N LYS A 105 2.312 -7.937 -8.122 1.00 0.00 N ATOM 713 CA LYS A 105 2.210 -6.557 -7.669 1.00 0.00 C ATOM 714 C LYS A 105 3.593 -5.939 -7.811 1.00 0.00 C ATOM 715 O LYS A 105 4.489 -6.189 -7.005 1.00 0.00 O ATOM 716 CB LYS A 105 1.671 -6.434 -6.233 1.00 0.00 C ATOM 717 CG LYS A 105 0.167 -6.720 -6.095 1.00 0.00 C ATOM 718 CD LYS A 105 -0.157 -8.182 -5.755 1.00 0.00 C ATOM 719 CE LYS A 105 -1.657 -8.463 -5.900 1.00 0.00 C ATOM 720 NZ LYS A 105 -2.084 -8.448 -7.313 1.00 0.00 N ATOM 0 HA LYS A 105 1.483 -6.023 -8.281 1.00 0.00 H new ATOM 0 HB2 LYS A 105 2.220 -7.123 -5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 105 1.873 -5.427 -5.867 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -0.246 -6.076 -5.319 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -0.331 -6.455 -7.028 1.00 0.00 H new ATOM 0 HD2 LYS A 105 0.406 -8.845 -6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 105 0.160 -8.400 -4.735 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -1.889 -9.433 -5.461 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -2.222 -7.717 -5.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -3.010 -8.914 -7.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -2.159 -7.464 -7.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -1.385 -8.955 -7.892 1.00 0.00 H new ATOM 734 N THR A 106 3.802 -5.163 -8.867 1.00 0.00 N ATOM 735 CA THR A 106 5.059 -4.501 -9.171 1.00 0.00 C ATOM 736 C THR A 106 4.752 -3.037 -9.508 1.00 0.00 C ATOM 737 O THR A 106 4.934 -2.562 -10.630 1.00 0.00 O ATOM 738 CB THR A 106 5.844 -5.334 -10.213 1.00 0.00 C ATOM 739 OG1 THR A 106 7.101 -4.745 -10.462 1.00 0.00 O ATOM 740 CG2 THR A 106 5.124 -5.589 -11.545 1.00 0.00 C ATOM 0 H THR A 106 3.075 -4.972 -9.557 1.00 0.00 H new ATOM 0 HA THR A 106 5.748 -4.453 -8.328 1.00 0.00 H new ATOM 0 HB THR A 106 5.949 -6.316 -9.752 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.650 -5.358 -10.994 1.00 0.00 H new ATOM 0 HG21 THR A 106 5.765 -6.181 -12.198 1.00 0.00 H new ATOM 0 HG22 THR A 106 4.196 -6.130 -11.359 1.00 0.00 H new ATOM 0 HG23 THR A 106 4.898 -4.637 -12.025 1.00 0.00 H new ATOM 748 N SER A 107 4.274 -2.291 -8.513 1.00 0.00 N ATOM 749 CA SER A 107 4.186 -0.838 -8.555 1.00 0.00 C ATOM 750 C SER A 107 4.719 -0.317 -7.232 1.00 0.00 C ATOM 751 O SER A 107 4.448 -0.924 -6.199 1.00 0.00 O ATOM 752 CB SER A 107 2.735 -0.385 -8.714 1.00 0.00 C ATOM 753 OG SER A 107 2.140 -0.839 -9.913 1.00 0.00 O ATOM 0 H SER A 107 3.931 -2.691 -7.639 1.00 0.00 H new ATOM 0 HA SER A 107 4.758 -0.457 -9.401 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.153 -0.747 -7.867 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.696 0.704 -8.686 1.00 0.00 H new ATOM 0 HG SER A 107 1.214 -0.521 -9.960 1.00 0.00 H new ATOM 759 N GLY A 108 5.418 0.816 -7.244 1.00 0.00 N ATOM 760 CA GLY A 108 5.983 1.437 -6.054 1.00 0.00 C ATOM 761 C GLY A 108 4.918 1.641 -4.980 1.00 0.00 C ATOM 762 O GLY A 108 5.074 1.177 -3.855 1.00 0.00 O ATOM 0 H GLY A 108 5.610 1.336 -8.100 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.785 0.813 -5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.427 2.397 -6.317 1.00 0.00 H new ATOM 766 N MET A 109 3.798 2.267 -5.351 1.00 0.00 N ATOM 767 CA MET A 109 2.662 2.533 -4.460 1.00 0.00 C ATOM 768 C MET A 109 2.147 1.267 -3.776 1.00 0.00 C ATOM 769 O MET A 109 1.658 1.300 -2.651 1.00 0.00 O ATOM 770 CB MET A 109 1.479 3.115 -5.253 1.00 0.00 C ATOM 771 CG MET A 109 1.879 4.022 -6.414 1.00 0.00 C ATOM 772 SD MET A 109 0.514 4.967 -7.135 1.00 0.00 S ATOM 773 CE MET A 109 -0.227 3.691 -8.185 1.00 0.00 C ATOM 0 H MET A 109 3.651 2.611 -6.300 1.00 0.00 H new ATOM 0 HA MET A 109 3.031 3.234 -3.711 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.879 2.292 -5.642 1.00 0.00 H new ATOM 0 HB3 MET A 109 0.843 3.679 -4.571 1.00 0.00 H new ATOM 0 HG2 MET A 109 2.643 4.718 -6.068 1.00 0.00 H new ATOM 0 HG3 MET A 109 2.334 3.412 -7.195 1.00 0.00 H new ATOM 0 HE1 MET A 109 -1.089 4.105 -8.708 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.508 3.347 -8.913 1.00 0.00 H new ATOM 0 HE3 MET A 109 -0.546 2.852 -7.567 1.00 0.00 H new ATOM 783 N GLU A 110 2.190 0.163 -4.511 1.00 0.00 N ATOM 784 CA GLU A 110 1.516 -1.066 -4.128 1.00 0.00 C ATOM 785 C GLU A 110 2.432 -1.954 -3.296 1.00 0.00 C ATOM 786 O GLU A 110 1.995 -2.481 -2.273 1.00 0.00 O ATOM 787 CB GLU A 110 0.984 -1.762 -5.391 1.00 0.00 C ATOM 788 CG GLU A 110 -0.141 -2.765 -5.091 1.00 0.00 C ATOM 789 CD GLU A 110 -1.141 -2.842 -6.249 1.00 0.00 C ATOM 790 OE1 GLU A 110 -1.772 -1.802 -6.555 1.00 0.00 O ATOM 791 OE2 GLU A 110 -1.362 -3.913 -6.852 1.00 0.00 O ATOM 0 H GLU A 110 2.697 0.097 -5.394 1.00 0.00 H new ATOM 0 HA GLU A 110 0.663 -0.841 -3.488 1.00 0.00 H new ATOM 0 HB2 GLU A 110 0.616 -1.009 -6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 110 1.804 -2.281 -5.887 1.00 0.00 H new ATOM 0 HG2 GLU A 110 0.287 -3.751 -4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -0.660 -2.471 -4.179 1.00 0.00 H new ATOM 798 N VAL A 111 3.711 -2.044 -3.669 1.00 0.00 N ATOM 799 CA VAL A 111 4.753 -2.637 -2.842 1.00 0.00 C ATOM 800 C VAL A 111 4.808 -1.867 -1.518 1.00 0.00 C ATOM 801 O VAL A 111 4.925 -2.500 -0.475 1.00 0.00 O ATOM 802 CB VAL A 111 6.085 -2.685 -3.622 1.00 0.00 C ATOM 803 CG1 VAL A 111 7.244 -3.228 -2.772 1.00 0.00 C ATOM 804 CG2 VAL A 111 5.966 -3.600 -4.860 1.00 0.00 C ATOM 0 H VAL A 111 4.052 -1.701 -4.567 1.00 0.00 H new ATOM 0 HA VAL A 111 4.537 -3.676 -2.595 1.00 0.00 H new ATOM 0 HB VAL A 111 6.294 -1.655 -3.911 1.00 0.00 H new ATOM 0 HG11 VAL A 111 8.157 -3.241 -3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 111 7.388 -2.588 -1.901 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.011 -4.241 -2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 111 6.917 -3.617 -5.393 1.00 0.00 H new ATOM 0 HG22 VAL A 111 5.710 -4.611 -4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 111 5.187 -3.219 -5.521 1.00 0.00 H new ATOM 814 N ALA A 112 4.617 -0.544 -1.521 1.00 0.00 N ATOM 815 CA ALA A 112 4.519 0.244 -0.303 1.00 0.00 C ATOM 816 C ALA A 112 3.328 -0.159 0.560 1.00 0.00 C ATOM 817 O ALA A 112 3.483 -0.419 1.757 1.00 0.00 O ATOM 818 CB ALA A 112 4.437 1.725 -0.661 1.00 0.00 C ATOM 0 H ALA A 112 4.527 0.006 -2.375 1.00 0.00 H new ATOM 0 HA ALA A 112 5.415 0.052 0.288 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.363 2.316 0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.332 2.016 -1.211 1.00 0.00 H new ATOM 0 HB3 ALA A 112 3.557 1.902 -1.280 1.00 0.00 H new ATOM 824 N SER A 113 2.130 -0.213 -0.028 1.00 0.00 N ATOM 825 CA SER A 113 0.928 -0.600 0.696 1.00 0.00 C ATOM 826 C SER A 113 1.057 -2.022 1.267 1.00 0.00 C ATOM 827 O SER A 113 0.460 -2.312 2.305 1.00 0.00 O ATOM 828 CB SER A 113 -0.283 -0.457 -0.237 1.00 0.00 C ATOM 829 OG SER A 113 -1.477 -0.267 0.504 1.00 0.00 O ATOM 0 H SER A 113 1.972 0.009 -1.011 1.00 0.00 H new ATOM 0 HA SER A 113 0.787 0.060 1.552 1.00 0.00 H new ATOM 0 HB2 SER A 113 -0.130 0.387 -0.910 1.00 0.00 H new ATOM 0 HB3 SER A 113 -0.375 -1.348 -0.859 1.00 0.00 H new ATOM 0 HG SER A 113 -2.234 -0.177 -0.112 1.00 0.00 H new ATOM 835 N TYR A 114 1.832 -2.891 0.613 1.00 0.00 N ATOM 836 CA TYR A 114 2.165 -4.235 1.069 1.00 0.00 C ATOM 837 C TYR A 114 3.184 -4.170 2.209 1.00 0.00 C ATOM 838 O TYR A 114 3.056 -4.881 3.204 1.00 0.00 O ATOM 839 CB TYR A 114 2.690 -5.036 -0.135 1.00 0.00 C ATOM 840 CG TYR A 114 3.667 -6.156 0.168 1.00 0.00 C ATOM 841 CD1 TYR A 114 3.194 -7.420 0.564 1.00 0.00 C ATOM 842 CD2 TYR A 114 5.053 -5.932 0.039 1.00 0.00 C ATOM 843 CE1 TYR A 114 4.103 -8.454 0.844 1.00 0.00 C ATOM 844 CE2 TYR A 114 5.966 -6.965 0.301 1.00 0.00 C ATOM 845 CZ TYR A 114 5.493 -8.229 0.719 1.00 0.00 C ATOM 846 OH TYR A 114 6.373 -9.201 1.085 1.00 0.00 O ATOM 0 H TYR A 114 2.260 -2.664 -0.285 1.00 0.00 H new ATOM 0 HA TYR A 114 1.283 -4.738 1.466 1.00 0.00 H new ATOM 0 HB2 TYR A 114 1.835 -5.463 -0.659 1.00 0.00 H new ATOM 0 HB3 TYR A 114 3.171 -4.341 -0.823 1.00 0.00 H new ATOM 0 HD1 TYR A 114 2.132 -7.596 0.653 1.00 0.00 H new ATOM 0 HD2 TYR A 114 5.414 -4.960 -0.263 1.00 0.00 H new ATOM 0 HE1 TYR A 114 3.739 -9.422 1.155 1.00 0.00 H new ATOM 0 HE2 TYR A 114 7.026 -6.794 0.184 1.00 0.00 H new ATOM 0 HH TYR A 114 6.044 -9.654 1.889 1.00 0.00 H new ATOM 856 N LEU A 115 4.202 -3.319 2.091 1.00 0.00 N ATOM 857 CA LEU A 115 5.313 -3.275 3.025 1.00 0.00 C ATOM 858 C LEU A 115 4.855 -2.750 4.382 1.00 0.00 C ATOM 859 O LEU A 115 5.213 -3.334 5.404 1.00 0.00 O ATOM 860 CB LEU A 115 6.447 -2.428 2.434 1.00 0.00 C ATOM 861 CG LEU A 115 7.787 -2.620 3.163 1.00 0.00 C ATOM 862 CD1 LEU A 115 8.397 -4.003 2.890 1.00 0.00 C ATOM 863 CD2 LEU A 115 8.764 -1.560 2.656 1.00 0.00 C ATOM 0 H LEU A 115 4.274 -2.637 1.336 1.00 0.00 H new ATOM 0 HA LEU A 115 5.693 -4.284 3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.573 -2.684 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.166 -1.376 2.475 1.00 0.00 H new ATOM 0 HG LEU A 115 7.607 -2.531 4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 115 9.342 -4.096 3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.710 -4.777 3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.572 -4.119 1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.723 -1.678 3.161 1.00 0.00 H new ATOM 0 HD22 LEU A 115 8.903 -1.677 1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 115 8.364 -0.568 2.864 1.00 0.00 H new ATOM 875 N VAL A 116 4.021 -1.707 4.423 1.00 0.00 N ATOM 876 CA VAL A 116 3.422 -1.236 5.674 1.00 0.00 C ATOM 877 C VAL A 116 2.526 -2.332 6.275 1.00 0.00 C ATOM 878 O VAL A 116 2.493 -2.481 7.493 1.00 0.00 O ATOM 879 CB VAL A 116 2.730 0.135 5.455 1.00 0.00 C ATOM 880 CG1 VAL A 116 2.073 0.727 6.723 1.00 0.00 C ATOM 881 CG2 VAL A 116 3.822 1.124 5.023 1.00 0.00 C ATOM 0 H VAL A 116 3.745 -1.171 3.600 1.00 0.00 H new ATOM 0 HA VAL A 116 4.191 -1.049 6.424 1.00 0.00 H new ATOM 0 HB VAL A 116 1.939 -0.020 4.721 1.00 0.00 H new ATOM 0 HG11 VAL A 116 1.613 1.685 6.481 1.00 0.00 H new ATOM 0 HG12 VAL A 116 1.310 0.041 7.092 1.00 0.00 H new ATOM 0 HG13 VAL A 116 2.832 0.873 7.492 1.00 0.00 H new ATOM 0 HG21 VAL A 116 3.379 2.106 4.857 1.00 0.00 H new ATOM 0 HG22 VAL A 116 4.579 1.195 5.804 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.285 0.774 4.100 1.00 0.00 H new ATOM 891 N ALA A 117 1.906 -3.179 5.450 1.00 0.00 N ATOM 892 CA ALA A 117 1.113 -4.321 5.902 1.00 0.00 C ATOM 893 C ALA A 117 1.958 -5.530 6.341 1.00 0.00 C ATOM 894 O ALA A 117 1.398 -6.577 6.674 1.00 0.00 O ATOM 895 CB ALA A 117 0.173 -4.740 4.776 1.00 0.00 C ATOM 0 H ALA A 117 1.942 -3.088 4.435 1.00 0.00 H new ATOM 0 HA ALA A 117 0.562 -3.998 6.785 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -0.425 -5.592 5.099 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.486 -3.909 4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.757 -5.019 3.899 1.00 0.00 H new ATOM 901 N GLN A 118 3.288 -5.454 6.277 1.00 0.00 N ATOM 902 CA GLN A 118 4.208 -6.521 6.650 1.00 0.00 C ATOM 903 C GLN A 118 5.081 -6.062 7.824 1.00 0.00 C ATOM 904 O GLN A 118 5.325 -6.845 8.747 1.00 0.00 O ATOM 905 CB GLN A 118 5.058 -6.880 5.419 1.00 0.00 C ATOM 906 CG GLN A 118 4.294 -7.604 4.294 1.00 0.00 C ATOM 907 CD GLN A 118 4.537 -9.112 4.275 1.00 0.00 C ATOM 908 OE1 GLN A 118 5.418 -9.598 3.567 1.00 0.00 O ATOM 909 NE2 GLN A 118 3.788 -9.893 5.034 1.00 0.00 N ATOM 0 H GLN A 118 3.768 -4.615 5.951 1.00 0.00 H new ATOM 0 HA GLN A 118 3.663 -7.408 6.973 1.00 0.00 H new ATOM 0 HB2 GLN A 118 5.491 -5.965 5.014 1.00 0.00 H new ATOM 0 HB3 GLN A 118 5.888 -7.510 5.739 1.00 0.00 H new ATOM 0 HG2 GLN A 118 3.227 -7.416 4.409 1.00 0.00 H new ATOM 0 HG3 GLN A 118 4.590 -7.183 3.333 1.00 0.00 H new ATOM 0 HE21 GLN A 118 3.058 -9.487 5.620 1.00 0.00 H new ATOM 0 HE22 GLN A 118 3.940 -10.902 5.034 1.00 0.00 H new ATOM 918 N TYR A 119 5.523 -4.800 7.794 1.00 0.00 N ATOM 919 CA TYR A 119 6.484 -4.203 8.727 1.00 0.00 C ATOM 920 C TYR A 119 5.924 -3.064 9.577 1.00 0.00 C ATOM 921 O TYR A 119 6.569 -2.716 10.568 1.00 0.00 O ATOM 922 CB TYR A 119 7.694 -3.656 7.954 1.00 0.00 C ATOM 923 CG TYR A 119 8.551 -4.730 7.341 1.00 0.00 C ATOM 924 CD1 TYR A 119 8.188 -5.258 6.094 1.00 0.00 C ATOM 925 CD2 TYR A 119 9.672 -5.231 8.029 1.00 0.00 C ATOM 926 CE1 TYR A 119 8.910 -6.319 5.535 1.00 0.00 C ATOM 927 CE2 TYR A 119 10.423 -6.272 7.453 1.00 0.00 C ATOM 928 CZ TYR A 119 10.042 -6.831 6.208 1.00 0.00 C ATOM 929 OH TYR A 119 10.769 -7.845 5.663 1.00 0.00 O ATOM 0 H TYR A 119 5.206 -4.137 7.086 1.00 0.00 H new ATOM 0 HA TYR A 119 6.757 -5.011 9.405 1.00 0.00 H new ATOM 0 HB2 TYR A 119 7.341 -2.990 7.166 1.00 0.00 H new ATOM 0 HB3 TYR A 119 8.305 -3.056 8.628 1.00 0.00 H new ATOM 0 HD1 TYR A 119 7.345 -4.843 5.561 1.00 0.00 H new ATOM 0 HD2 TYR A 119 9.952 -4.821 8.988 1.00 0.00 H new ATOM 0 HE1 TYR A 119 8.603 -6.745 4.592 1.00 0.00 H new ATOM 0 HE2 TYR A 119 11.297 -6.648 7.964 1.00 0.00 H new ATOM 0 HH TYR A 119 10.718 -7.795 4.686 1.00 0.00 H new ATOM 939 N GLY A 120 4.794 -2.460 9.207 1.00 0.00 N ATOM 940 CA GLY A 120 4.354 -1.192 9.767 1.00 0.00 C ATOM 941 C GLY A 120 5.265 -0.046 9.322 1.00 0.00 C ATOM 942 O GLY A 120 6.429 -0.249 8.969 1.00 0.00 O ATOM 0 H GLY A 120 4.159 -2.843 8.507 1.00 0.00 H new ATOM 0 HA2 GLY A 120 3.330 -0.989 9.454 1.00 0.00 H new ATOM 0 HA3 GLY A 120 4.348 -1.254 10.855 1.00 0.00 H new ATOM 946 N GLU A 121 4.753 1.186 9.325 1.00 0.00 N ATOM 947 CA GLU A 121 5.413 2.347 8.744 1.00 0.00 C ATOM 948 C GLU A 121 6.738 2.754 9.407 1.00 0.00 C ATOM 949 O GLU A 121 7.428 3.623 8.874 1.00 0.00 O ATOM 950 CB GLU A 121 4.444 3.544 8.705 1.00 0.00 C ATOM 951 CG GLU A 121 4.407 4.089 7.269 1.00 0.00 C ATOM 952 CD GLU A 121 4.020 5.567 7.165 1.00 0.00 C ATOM 953 OE1 GLU A 121 4.428 6.363 8.037 1.00 0.00 O ATOM 954 OE2 GLU A 121 3.262 5.935 6.238 1.00 0.00 O ATOM 0 H GLU A 121 3.848 1.405 9.742 1.00 0.00 H new ATOM 0 HA GLU A 121 5.688 2.040 7.735 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.447 3.236 9.020 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.771 4.320 9.397 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.388 3.950 6.815 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.699 3.499 6.687 1.00 0.00 H new ATOM 961 N GLN A 122 7.098 2.149 10.544 1.00 0.00 N ATOM 962 CA GLN A 122 8.435 2.233 11.118 1.00 0.00 C ATOM 963 C GLN A 122 9.416 1.482 10.215 1.00 0.00 C ATOM 964 O GLN A 122 10.097 2.097 9.394 1.00 0.00 O ATOM 965 CB GLN A 122 8.420 1.661 12.546 1.00 0.00 C ATOM 966 CG GLN A 122 8.069 2.726 13.602 1.00 0.00 C ATOM 967 CD GLN A 122 9.195 3.750 13.822 1.00 0.00 C ATOM 968 OE1 GLN A 122 10.372 3.458 13.618 1.00 0.00 O ATOM 969 NE2 GLN A 122 8.893 4.957 14.265 1.00 0.00 N ATOM 0 H GLN A 122 6.456 1.580 11.095 1.00 0.00 H new ATOM 0 HA GLN A 122 8.758 3.272 11.181 1.00 0.00 H new ATOM 0 HB2 GLN A 122 7.697 0.847 12.601 1.00 0.00 H new ATOM 0 HB3 GLN A 122 9.397 1.235 12.774 1.00 0.00 H new ATOM 0 HG2 GLN A 122 7.164 3.250 13.294 1.00 0.00 H new ATOM 0 HG3 GLN A 122 7.845 2.232 14.547 1.00 0.00 H new ATOM 0 HE21 GLN A 122 7.920 5.208 14.437 1.00 0.00 H new ATOM 0 HE22 GLN A 122 9.633 5.638 14.435 1.00 0.00 H new ATOM 978 N ARG A 123 9.498 0.148 10.335 1.00 0.00 N ATOM 979 CA ARG A 123 10.485 -0.629 9.578 1.00 0.00 C ATOM 980 C ARG A 123 10.229 -0.512 8.084 1.00 0.00 C ATOM 981 O ARG A 123 11.195 -0.569 7.330 1.00 0.00 O ATOM 982 CB ARG A 123 10.523 -2.114 9.995 1.00 0.00 C ATOM 983 CG ARG A 123 11.514 -2.450 11.117 1.00 0.00 C ATOM 984 CD ARG A 123 11.152 -1.671 12.377 1.00 0.00 C ATOM 985 NE ARG A 123 11.884 -2.085 13.588 1.00 0.00 N ATOM 986 CZ ARG A 123 11.746 -1.473 14.774 1.00 0.00 C ATOM 987 NH1 ARG A 123 11.242 -0.249 14.838 1.00 0.00 N ATOM 988 NH2 ARG A 123 12.120 -2.065 15.900 1.00 0.00 N ATOM 0 H ARG A 123 8.898 -0.409 10.944 1.00 0.00 H new ATOM 0 HA ARG A 123 11.461 -0.204 9.813 1.00 0.00 H new ATOM 0 HB2 ARG A 123 9.524 -2.412 10.313 1.00 0.00 H new ATOM 0 HB3 ARG A 123 10.771 -2.715 9.120 1.00 0.00 H new ATOM 0 HG2 ARG A 123 11.496 -3.520 11.322 1.00 0.00 H new ATOM 0 HG3 ARG A 123 12.529 -2.203 10.805 1.00 0.00 H new ATOM 0 HD2 ARG A 123 11.340 -0.612 12.200 1.00 0.00 H new ATOM 0 HD3 ARG A 123 10.083 -1.779 12.560 1.00 0.00 H new ATOM 0 HE ARG A 123 12.526 -2.875 13.521 1.00 0.00 H new ATOM 0 HH11 ARG A 123 10.958 0.231 13.984 1.00 0.00 H new ATOM 0 HH12 ARG A 123 11.138 0.213 15.741 1.00 0.00 H new ATOM 0 HH21 ARG A 123 12.521 -3.003 15.874 1.00 0.00 H new ATOM 0 HH22 ARG A 123 12.007 -1.583 16.792 1.00 0.00 H new ATOM 1002 N ALA A 124 8.986 -0.300 7.641 1.00 0.00 N ATOM 1003 CA ALA A 124 8.730 -0.164 6.210 1.00 0.00 C ATOM 1004 C ALA A 124 9.475 1.035 5.600 1.00 0.00 C ATOM 1005 O ALA A 124 9.648 1.060 4.380 1.00 0.00 O ATOM 1006 CB ALA A 124 7.228 -0.061 5.923 1.00 0.00 C ATOM 0 H ALA A 124 8.162 -0.221 8.238 1.00 0.00 H new ATOM 0 HA ALA A 124 9.114 -1.067 5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 124 7.069 0.039 4.849 1.00 0.00 H new ATOM 0 HB2 ALA A 124 6.727 -0.960 6.282 1.00 0.00 H new ATOM 0 HB3 ALA A 124 6.819 0.811 6.433 1.00 0.00 H new ATOM 1012 N TRP A 125 9.963 1.990 6.405 1.00 0.00 N ATOM 1013 CA TRP A 125 10.839 3.048 5.925 1.00 0.00 C ATOM 1014 C TRP A 125 12.243 2.929 6.510 1.00 0.00 C ATOM 1015 O TRP A 125 13.204 2.942 5.753 1.00 0.00 O ATOM 1016 CB TRP A 125 10.198 4.424 6.130 1.00 0.00 C ATOM 1017 CG TRP A 125 10.779 5.503 5.266 1.00 0.00 C ATOM 1018 CD1 TRP A 125 11.178 6.718 5.694 1.00 0.00 C ATOM 1019 CD2 TRP A 125 11.012 5.499 3.824 1.00 0.00 C ATOM 1020 NE1 TRP A 125 11.649 7.460 4.631 1.00 0.00 N ATOM 1021 CE2 TRP A 125 11.564 6.760 3.448 1.00 0.00 C ATOM 1022 CE3 TRP A 125 10.773 4.575 2.785 1.00 0.00 C ATOM 1023 CZ2 TRP A 125 11.802 7.104 2.107 1.00 0.00 C ATOM 1024 CZ3 TRP A 125 11.009 4.902 1.442 1.00 0.00 C ATOM 1025 CH2 TRP A 125 11.474 6.179 1.102 1.00 0.00 C ATOM 0 H TRP A 125 9.757 2.043 7.403 1.00 0.00 H new ATOM 0 HA TRP A 125 10.966 2.930 4.849 1.00 0.00 H new ATOM 0 HB2 TRP A 125 9.129 4.349 5.930 1.00 0.00 H new ATOM 0 HB3 TRP A 125 10.307 4.712 7.176 1.00 0.00 H new ATOM 0 HD1 TRP A 125 11.135 7.060 6.718 1.00 0.00 H new ATOM 0 HE1 TRP A 125 12.015 8.409 4.711 1.00 0.00 H new ATOM 0 HE3 TRP A 125 10.399 3.592 3.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 12.230 8.063 1.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 10.832 4.169 0.669 1.00 0.00 H new ATOM 0 HH2 TRP A 125 11.581 6.453 0.063 1.00 0.00 H new ATOM 1036 N ASP A 126 12.394 2.722 7.817 1.00 0.00 N ATOM 1037 CA ASP A 126 13.698 2.654 8.491 1.00 0.00 C ATOM 1038 C ASP A 126 14.596 1.554 7.903 1.00 0.00 C ATOM 1039 O ASP A 126 15.815 1.689 7.826 1.00 0.00 O ATOM 1040 CB ASP A 126 13.444 2.413 9.987 1.00 0.00 C ATOM 1041 CG ASP A 126 14.625 2.694 10.922 1.00 0.00 C ATOM 1042 OD1 ASP A 126 15.753 3.006 10.493 1.00 0.00 O ATOM 1043 OD2 ASP A 126 14.387 2.648 12.153 1.00 0.00 O ATOM 0 H ASP A 126 11.605 2.594 8.451 1.00 0.00 H new ATOM 0 HA ASP A 126 14.230 3.593 8.340 1.00 0.00 H new ATOM 0 HB2 ASP A 126 12.604 3.035 10.298 1.00 0.00 H new ATOM 0 HB3 ASP A 126 13.139 1.375 10.121 1.00 0.00 H new ATOM 1048 N LEU A 127 14.003 0.450 7.440 1.00 0.00 N ATOM 1049 CA LEU A 127 14.710 -0.655 6.800 1.00 0.00 C ATOM 1050 C LEU A 127 14.977 -0.324 5.325 1.00 0.00 C ATOM 1051 O LEU A 127 16.041 -0.638 4.792 1.00 0.00 O ATOM 1052 CB LEU A 127 13.830 -1.901 6.979 1.00 0.00 C ATOM 1053 CG LEU A 127 14.541 -3.256 6.982 1.00 0.00 C ATOM 1054 CD1 LEU A 127 13.469 -4.308 7.291 1.00 0.00 C ATOM 1055 CD2 LEU A 127 15.236 -3.558 5.654 1.00 0.00 C ATOM 0 H LEU A 127 12.996 0.300 7.503 1.00 0.00 H new ATOM 0 HA LEU A 127 15.687 -0.834 7.249 1.00 0.00 H new ATOM 0 HB2 LEU A 127 13.287 -1.801 7.919 1.00 0.00 H new ATOM 0 HB3 LEU A 127 13.087 -1.909 6.181 1.00 0.00 H new ATOM 0 HG LEU A 127 15.334 -3.258 7.730 1.00 0.00 H new ATOM 0 HD11 LEU A 127 13.924 -5.298 7.305 1.00 0.00 H new ATOM 0 HD12 LEU A 127 13.024 -4.099 8.264 1.00 0.00 H new ATOM 0 HD13 LEU A 127 12.695 -4.275 6.524 1.00 0.00 H new ATOM 0 HD21 LEU A 127 15.724 -4.531 5.712 1.00 0.00 H new ATOM 0 HD22 LEU A 127 14.498 -3.569 4.852 1.00 0.00 H new ATOM 0 HD23 LEU A 127 15.982 -2.789 5.451 1.00 0.00 H new ATOM 1067 N ALA A 128 14.033 0.349 4.663 1.00 0.00 N ATOM 1068 CA ALA A 128 14.197 0.842 3.302 1.00 0.00 C ATOM 1069 C ALA A 128 15.359 1.844 3.217 1.00 0.00 C ATOM 1070 O ALA A 128 16.091 1.843 2.229 1.00 0.00 O ATOM 1071 CB ALA A 128 12.891 1.458 2.824 1.00 0.00 C ATOM 0 H ALA A 128 13.122 0.568 5.067 1.00 0.00 H new ATOM 0 HA ALA A 128 14.447 0.008 2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.014 1.827 1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 128 12.104 0.704 2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.618 2.285 3.479 1.00 0.00 H new ATOM 1077 N LEU A 129 15.579 2.666 4.248 1.00 0.00 N ATOM 1078 CA LEU A 129 16.721 3.576 4.328 1.00 0.00 C ATOM 1079 C LEU A 129 18.045 2.796 4.202 1.00 0.00 C ATOM 1080 O LEU A 129 18.971 3.287 3.554 1.00 0.00 O ATOM 1081 CB LEU A 129 16.646 4.427 5.617 1.00 0.00 C ATOM 1082 CG LEU A 129 16.019 5.838 5.484 1.00 0.00 C ATOM 1083 CD1 LEU A 129 16.824 6.797 4.603 1.00 0.00 C ATOM 1084 CD2 LEU A 129 14.601 5.858 4.924 1.00 0.00 C ATOM 0 H LEU A 129 14.961 2.717 5.058 1.00 0.00 H new ATOM 0 HA LEU A 129 16.686 4.271 3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 129 16.075 3.870 6.360 1.00 0.00 H new ATOM 0 HB3 LEU A 129 17.657 4.539 6.010 1.00 0.00 H new ATOM 0 HG LEU A 129 16.019 6.167 6.523 1.00 0.00 H new ATOM 0 HD11 LEU A 129 16.320 7.762 4.560 1.00 0.00 H new ATOM 0 HD12 LEU A 129 17.821 6.927 5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 129 16.905 6.385 3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 129 14.247 6.887 4.868 1.00 0.00 H new ATOM 0 HD22 LEU A 129 14.597 5.418 3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 129 13.944 5.283 5.577 1.00 0.00 H new ATOM 1096 N HIS A 130 18.135 1.561 4.716 1.00 0.00 N ATOM 1097 CA HIS A 130 19.263 0.688 4.398 1.00 0.00 C ATOM 1098 C HIS A 130 19.193 0.224 2.943 1.00 0.00 C ATOM 1099 O HIS A 130 20.167 0.376 2.215 1.00 0.00 O ATOM 1100 CB HIS A 130 19.346 -0.532 5.329 1.00 0.00 C ATOM 1101 CG HIS A 130 20.491 -1.448 4.957 1.00 0.00 C ATOM 1102 ND1 HIS A 130 20.563 -2.265 3.856 1.00 0.00 N flip ATOM 1103 CD2 HIS A 130 21.721 -1.474 5.566 1.00 0.00 C flip ATOM 1104 CE1 HIS A 130 21.854 -2.812 3.813 1.00 0.00 C flip ATOM 1105 NE2 HIS A 130 22.513 -2.292 4.859 1.00 0.00 N flip ATOM 0 H HIS A 130 17.446 1.152 5.347 1.00 0.00 H new ATOM 0 HA HIS A 130 20.166 1.279 4.550 1.00 0.00 H new ATOM 0 HB2 HIS A 130 19.470 -0.196 6.358 1.00 0.00 H new ATOM 0 HB3 HIS A 130 18.409 -1.086 5.286 1.00 0.00 H new ATOM 0 HD2 HIS A 130 22.001 -0.931 6.457 1.00 0.00 H new ATOM 0 HE1 HIS A 130 22.239 -3.510 3.085 1.00 0.00 H new ATOM 0 HE2 HIS A 130 23.487 -2.492 5.086 1.00 0.00 H new ATOM 1113 N THR A 131 18.097 -0.423 2.541 1.00 0.00 N ATOM 1114 CA THR A 131 17.958 -1.243 1.330 1.00 0.00 C ATOM 1115 C THR A 131 18.678 -0.661 0.101 1.00 0.00 C ATOM 1116 O THR A 131 19.426 -1.362 -0.579 1.00 0.00 O ATOM 1117 CB THR A 131 16.447 -1.432 1.138 1.00 0.00 C ATOM 1118 OG1 THR A 131 15.907 -2.258 2.140 1.00 0.00 O ATOM 1119 CG2 THR A 131 16.019 -1.994 -0.210 1.00 0.00 C ATOM 0 H THR A 131 17.232 -0.388 3.081 1.00 0.00 H new ATOM 0 HA THR A 131 18.457 -2.205 1.448 1.00 0.00 H new ATOM 0 HB THR A 131 16.058 -0.416 1.197 1.00 0.00 H new ATOM 0 HG1 THR A 131 15.856 -1.760 2.982 1.00 0.00 H new ATOM 0 HG21 THR A 131 14.933 -2.086 -0.238 1.00 0.00 H new ATOM 0 HG22 THR A 131 16.346 -1.323 -1.004 1.00 0.00 H new ATOM 0 HG23 THR A 131 16.470 -2.975 -0.355 1.00 0.00 H new ATOM 1127 N TRP A 132 18.495 0.629 -0.174 1.00 0.00 N ATOM 1128 CA TRP A 132 19.010 1.266 -1.391 1.00 0.00 C ATOM 1129 C TRP A 132 20.379 1.901 -1.279 1.00 0.00 C ATOM 1130 O TRP A 132 20.953 2.385 -2.254 1.00 0.00 O ATOM 1131 CB TRP A 132 18.007 2.247 -1.940 1.00 0.00 C ATOM 1132 CG TRP A 132 17.349 3.281 -1.088 1.00 0.00 C ATOM 1133 CD1 TRP A 132 17.659 3.662 0.172 1.00 0.00 C ATOM 1134 CD2 TRP A 132 16.147 4.013 -1.448 1.00 0.00 C ATOM 1135 NE1 TRP A 132 16.703 4.553 0.620 1.00 0.00 N ATOM 1136 CE2 TRP A 132 15.732 4.785 -0.328 1.00 0.00 C ATOM 1137 CE3 TRP A 132 15.332 4.034 -2.598 1.00 0.00 C ATOM 1138 CZ2 TRP A 132 14.556 5.542 -0.345 1.00 0.00 C ATOM 1139 CZ3 TRP A 132 14.143 4.782 -2.626 1.00 0.00 C ATOM 1140 CH2 TRP A 132 13.764 5.536 -1.503 1.00 0.00 C ATOM 0 H TRP A 132 17.985 1.265 0.439 1.00 0.00 H new ATOM 0 HA TRP A 132 19.155 0.442 -2.089 1.00 0.00 H new ATOM 0 HB2 TRP A 132 18.504 2.780 -2.751 1.00 0.00 H new ATOM 0 HB3 TRP A 132 17.208 1.658 -2.389 1.00 0.00 H new ATOM 0 HD1 TRP A 132 18.515 3.324 0.737 1.00 0.00 H new ATOM 0 HE1 TRP A 132 16.715 4.987 1.543 1.00 0.00 H new ATOM 0 HE3 TRP A 132 15.626 3.467 -3.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 14.263 6.121 0.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 13.522 4.777 -3.509 1.00 0.00 H new ATOM 0 HH2 TRP A 132 12.854 6.117 -1.531 1.00 0.00 H new ATOM 1151 N GLU A 133 20.915 1.858 -0.082 1.00 0.00 N ATOM 1152 CA GLU A 133 22.340 2.005 0.149 1.00 0.00 C ATOM 1153 C GLU A 133 23.083 0.955 -0.681 1.00 0.00 C ATOM 1154 O GLU A 133 23.921 1.316 -1.509 1.00 0.00 O ATOM 1155 CB GLU A 133 22.654 1.908 1.645 1.00 0.00 C ATOM 1156 CG GLU A 133 23.963 2.629 1.941 1.00 0.00 C ATOM 1157 CD GLU A 133 24.220 2.745 3.441 1.00 0.00 C ATOM 1158 OE1 GLU A 133 24.826 1.825 4.039 1.00 0.00 O ATOM 1159 OE2 GLU A 133 23.933 3.814 4.022 1.00 0.00 O ATOM 0 H GLU A 133 20.372 1.719 0.770 1.00 0.00 H new ATOM 0 HA GLU A 133 22.678 2.991 -0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 133 21.844 2.350 2.226 1.00 0.00 H new ATOM 0 HB3 GLU A 133 22.727 0.862 1.944 1.00 0.00 H new ATOM 0 HG2 GLU A 133 24.788 2.093 1.471 1.00 0.00 H new ATOM 0 HG3 GLU A 133 23.937 3.625 1.499 1.00 0.00 H new ATOM 1166 N GLN A 134 22.710 -0.322 -0.528 1.00 0.00 N ATOM 1167 CA GLN A 134 23.303 -1.432 -1.266 1.00 0.00 C ATOM 1168 C GLN A 134 22.983 -1.380 -2.770 1.00 0.00 C ATOM 1169 O GLN A 134 23.685 -2.037 -3.541 1.00 0.00 O ATOM 1170 CB GLN A 134 22.823 -2.773 -0.678 1.00 0.00 C ATOM 1171 CG GLN A 134 23.483 -3.183 0.647 1.00 0.00 C ATOM 1172 CD GLN A 134 24.959 -3.575 0.525 1.00 0.00 C ATOM 1173 OE1 GLN A 134 25.827 -2.947 1.117 1.00 0.00 O ATOM 1174 NE2 GLN A 134 25.297 -4.646 -0.176 1.00 0.00 N ATOM 0 H GLN A 134 21.978 -0.611 0.121 1.00 0.00 H new ATOM 0 HA GLN A 134 24.384 -1.344 -1.161 1.00 0.00 H new ATOM 0 HB2 GLN A 134 21.745 -2.719 -0.526 1.00 0.00 H new ATOM 0 HB3 GLN A 134 23.003 -3.558 -1.413 1.00 0.00 H new ATOM 0 HG2 GLN A 134 23.396 -2.357 1.353 1.00 0.00 H new ATOM 0 HG3 GLN A 134 22.931 -4.022 1.069 1.00 0.00 H new ATOM 0 HE21 GLN A 134 24.582 -5.177 -0.673 1.00 0.00 H new ATOM 0 HE22 GLN A 134 26.273 -4.940 -0.219 1.00 0.00 H new ATOM 1183 N MET A 135 21.973 -0.620 -3.217 1.00 0.00 N ATOM 1184 CA MET A 135 21.698 -0.447 -4.645 1.00 0.00 C ATOM 1185 C MET A 135 22.610 0.595 -5.303 1.00 0.00 C ATOM 1186 O MET A 135 22.585 0.703 -6.526 1.00 0.00 O ATOM 1187 CB MET A 135 20.236 -0.048 -4.889 1.00 0.00 C ATOM 1188 CG MET A 135 19.243 -1.137 -4.505 1.00 0.00 C ATOM 1189 SD MET A 135 17.703 -1.159 -5.431 1.00 0.00 S ATOM 1190 CE MET A 135 17.215 0.574 -5.525 1.00 0.00 C ATOM 0 H MET A 135 21.332 -0.115 -2.605 1.00 0.00 H new ATOM 0 HA MET A 135 21.898 -1.416 -5.102 1.00 0.00 H new ATOM 0 HB2 MET A 135 20.013 0.855 -4.320 1.00 0.00 H new ATOM 0 HB3 MET A 135 20.105 0.199 -5.943 1.00 0.00 H new ATOM 0 HG2 MET A 135 19.730 -2.105 -4.625 1.00 0.00 H new ATOM 0 HG3 MET A 135 19.006 -1.029 -3.447 1.00 0.00 H new ATOM 0 HE1 MET A 135 16.146 0.641 -5.727 1.00 0.00 H new ATOM 0 HE2 MET A 135 17.437 1.066 -4.578 1.00 0.00 H new ATOM 0 HE3 MET A 135 17.767 1.064 -6.327 1.00 0.00 H new ATOM 1200 N GLY A 136 23.407 1.358 -4.549 1.00 0.00 N ATOM 1201 CA GLY A 136 24.300 2.348 -5.138 1.00 0.00 C ATOM 1202 C GLY A 136 23.541 3.511 -5.775 1.00 0.00 C ATOM 1203 O GLY A 136 23.899 3.964 -6.861 1.00 0.00 O ATOM 0 H GLY A 136 23.449 1.306 -3.531 1.00 0.00 H new ATOM 0 HA2 GLY A 136 24.970 2.733 -4.369 1.00 0.00 H new ATOM 0 HA3 GLY A 136 24.923 1.868 -5.892 1.00 0.00 H new ATOM 1207 N LEU A 137 22.502 4.023 -5.108 1.00 0.00 N ATOM 1208 CA LEU A 137 21.780 5.252 -5.469 1.00 0.00 C ATOM 1209 C LEU A 137 21.704 6.226 -4.294 1.00 0.00 C ATOM 1210 O LEU A 137 20.625 6.614 -3.856 1.00 0.00 O ATOM 1211 CB LEU A 137 20.551 5.206 -6.436 1.00 0.00 C ATOM 1212 CG LEU A 137 19.671 3.970 -6.539 1.00 0.00 C ATOM 1213 CD1 LEU A 137 20.172 2.936 -7.545 1.00 0.00 C ATOM 1214 CD2 LEU A 137 19.614 3.457 -5.124 1.00 0.00 C ATOM 0 H LEU A 137 22.125 3.578 -4.271 1.00 0.00 H new ATOM 0 HA LEU A 137 22.436 5.686 -6.224 1.00 0.00 H new ATOM 0 HB2 LEU A 137 19.901 6.037 -6.163 1.00 0.00 H new ATOM 0 HB3 LEU A 137 20.927 5.412 -7.438 1.00 0.00 H new ATOM 0 HG LEU A 137 18.683 4.203 -6.935 1.00 0.00 H new ATOM 0 HD11 LEU A 137 19.492 2.084 -7.561 1.00 0.00 H new ATOM 0 HD12 LEU A 137 20.215 3.385 -8.537 1.00 0.00 H new ATOM 0 HD13 LEU A 137 21.168 2.600 -7.256 1.00 0.00 H new ATOM 0 HD21 LEU A 137 18.998 2.559 -5.087 1.00 0.00 H new ATOM 0 HD22 LEU A 137 20.622 3.220 -4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 137 19.181 4.220 -4.477 1.00 0.00 H new ATOM 1226 N ARG A 138 22.857 6.651 -3.769 1.00 0.00 N ATOM 1227 CA ARG A 138 22.929 7.489 -2.574 1.00 0.00 C ATOM 1228 C ARG A 138 22.167 8.810 -2.683 1.00 0.00 C ATOM 1229 O ARG A 138 21.752 9.342 -1.657 1.00 0.00 O ATOM 1230 CB ARG A 138 24.395 7.769 -2.207 1.00 0.00 C ATOM 1231 CG ARG A 138 24.635 7.516 -0.717 1.00 0.00 C ATOM 1232 CD ARG A 138 26.102 7.773 -0.367 1.00 0.00 C ATOM 1233 NE ARG A 138 26.356 9.201 -0.123 1.00 0.00 N ATOM 1234 CZ ARG A 138 27.532 9.752 0.185 1.00 0.00 C ATOM 1235 NH1 ARG A 138 28.653 9.046 0.105 1.00 0.00 N ATOM 1236 NH2 ARG A 138 27.568 11.016 0.580 1.00 0.00 N ATOM 0 H ARG A 138 23.769 6.421 -4.164 1.00 0.00 H new ATOM 0 HA ARG A 138 22.437 6.917 -1.787 1.00 0.00 H new ATOM 0 HB2 ARG A 138 25.052 7.133 -2.800 1.00 0.00 H new ATOM 0 HB3 ARG A 138 24.646 8.801 -2.451 1.00 0.00 H new ATOM 0 HG2 ARG A 138 23.993 8.165 -0.122 1.00 0.00 H new ATOM 0 HG3 ARG A 138 24.369 6.489 -0.468 1.00 0.00 H new ATOM 0 HD2 ARG A 138 26.372 7.198 0.519 1.00 0.00 H new ATOM 0 HD3 ARG A 138 26.738 7.423 -1.180 1.00 0.00 H new ATOM 0 HE ARG A 138 25.557 9.831 -0.196 1.00 0.00 H new ATOM 0 HH11 ARG A 138 28.622 8.071 -0.194 1.00 0.00 H new ATOM 0 HH12 ARG A 138 29.546 9.478 0.343 1.00 0.00 H new ATOM 0 HH21 ARG A 138 26.704 11.555 0.645 1.00 0.00 H new ATOM 0 HH22 ARG A 138 28.459 11.451 0.819 1.00 0.00 H new ATOM 1250 N SER A 139 21.945 9.355 -3.876 1.00 0.00 N ATOM 1251 CA SER A 139 21.126 10.554 -4.016 1.00 0.00 C ATOM 1252 C SER A 139 19.658 10.338 -3.592 1.00 0.00 C ATOM 1253 O SER A 139 19.025 11.309 -3.167 1.00 0.00 O ATOM 1254 CB SER A 139 21.296 11.109 -5.431 1.00 0.00 C ATOM 1255 OG SER A 139 22.635 11.580 -5.546 1.00 0.00 O ATOM 0 H SER A 139 22.317 8.989 -4.752 1.00 0.00 H new ATOM 0 HA SER A 139 21.478 11.311 -3.315 1.00 0.00 H new ATOM 0 HB2 SER A 139 21.096 10.336 -6.173 1.00 0.00 H new ATOM 0 HB3 SER A 139 20.588 11.917 -5.614 1.00 0.00 H new ATOM 0 HG SER A 139 22.778 11.942 -6.445 1.00 0.00 H new ATOM 1261 N LEU A 140 19.152 9.092 -3.601 1.00 0.00 N ATOM 1262 CA LEU A 140 17.865 8.699 -3.014 1.00 0.00 C ATOM 1263 C LEU A 140 17.937 8.914 -1.515 1.00 0.00 C ATOM 1264 O LEU A 140 17.119 9.631 -0.950 1.00 0.00 O ATOM 1265 CB LEU A 140 17.559 7.200 -3.204 1.00 0.00 C ATOM 1266 CG LEU A 140 16.978 6.750 -4.555 1.00 0.00 C ATOM 1267 CD1 LEU A 140 15.473 7.086 -4.615 1.00 0.00 C ATOM 1268 CD2 LEU A 140 17.626 7.314 -5.807 1.00 0.00 C ATOM 0 H LEU A 140 19.645 8.309 -4.031 1.00 0.00 H new ATOM 0 HA LEU A 140 17.097 9.295 -3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 140 18.483 6.646 -3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 140 16.861 6.900 -2.423 1.00 0.00 H new ATOM 0 HG LEU A 140 17.185 5.680 -4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 140 15.067 6.765 -5.574 1.00 0.00 H new ATOM 0 HD12 LEU A 140 14.952 6.569 -3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 140 15.336 8.162 -4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 140 17.122 6.917 -6.688 1.00 0.00 H new ATOM 0 HD22 LEU A 140 17.544 8.401 -5.801 1.00 0.00 H new ATOM 0 HD23 LEU A 140 18.678 7.030 -5.832 1.00 0.00 H new ATOM 1280 N CYS A 141 18.917 8.267 -0.879 1.00 0.00 N ATOM 1281 CA CYS A 141 19.223 8.374 0.537 1.00 0.00 C ATOM 1282 C CYS A 141 19.259 9.824 0.947 1.00 0.00 C ATOM 1283 O CYS A 141 18.664 10.186 1.961 1.00 0.00 O ATOM 1284 CB CYS A 141 20.580 7.684 0.770 1.00 0.00 C ATOM 1285 SG CYS A 141 21.731 8.340 2.011 1.00 0.00 S ATOM 0 H CYS A 141 19.544 7.626 -1.366 1.00 0.00 H new ATOM 0 HA CYS A 141 18.459 7.889 1.144 1.00 0.00 H new ATOM 0 HB2 CYS A 141 20.375 6.647 1.034 1.00 0.00 H new ATOM 0 HB3 CYS A 141 21.105 7.672 -0.185 1.00 0.00 H new ATOM 0 HG CYS A 141 22.803 7.606 2.039 1.00 0.00 H new ATOM 1291 N ALA A 142 19.985 10.628 0.184 1.00 0.00 N ATOM 1292 CA ALA A 142 20.171 12.003 0.529 1.00 0.00 C ATOM 1293 C ALA A 142 18.807 12.701 0.499 1.00 0.00 C ATOM 1294 O ALA A 142 18.367 13.205 1.527 1.00 0.00 O ATOM 1295 CB ALA A 142 21.221 12.590 -0.415 1.00 0.00 C ATOM 0 H ALA A 142 20.450 10.338 -0.676 1.00 0.00 H new ATOM 0 HA ALA A 142 20.555 12.144 1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 142 21.382 13.640 -0.172 1.00 0.00 H new ATOM 0 HB2 ALA A 142 22.158 12.044 -0.302 1.00 0.00 H new ATOM 0 HB3 ALA A 142 20.873 12.505 -1.444 1.00 0.00 H new ATOM 1301 N GLN A 143 18.074 12.636 -0.618 1.00 0.00 N ATOM 1302 CA GLN A 143 16.735 13.221 -0.739 1.00 0.00 C ATOM 1303 C GLN A 143 15.782 12.721 0.355 1.00 0.00 C ATOM 1304 O GLN A 143 15.024 13.526 0.904 1.00 0.00 O ATOM 1305 CB GLN A 143 16.193 12.984 -2.160 1.00 0.00 C ATOM 1306 CG GLN A 143 16.808 14.027 -3.111 1.00 0.00 C ATOM 1307 CD GLN A 143 16.848 13.648 -4.589 1.00 0.00 C ATOM 1308 OE1 GLN A 143 16.257 12.671 -5.040 1.00 0.00 O ATOM 1309 NE2 GLN A 143 17.588 14.413 -5.375 1.00 0.00 N ATOM 0 H GLN A 143 18.395 12.173 -1.468 1.00 0.00 H new ATOM 0 HA GLN A 143 16.808 14.297 -0.582 1.00 0.00 H new ATOM 0 HB2 GLN A 143 16.441 11.977 -2.495 1.00 0.00 H new ATOM 0 HB3 GLN A 143 15.106 13.063 -2.166 1.00 0.00 H new ATOM 0 HG2 GLN A 143 16.247 14.956 -3.010 1.00 0.00 H new ATOM 0 HG3 GLN A 143 17.827 14.233 -2.782 1.00 0.00 H new ATOM 0 HE21 GLN A 143 18.074 15.222 -4.988 1.00 0.00 H new ATOM 0 HE22 GLN A 143 17.672 14.194 -6.368 1.00 0.00 H new ATOM 1318 N ALA A 144 15.877 11.446 0.751 1.00 0.00 N ATOM 1319 CA ALA A 144 15.116 10.841 1.838 1.00 0.00 C ATOM 1320 C ALA A 144 15.258 11.597 3.162 1.00 0.00 C ATOM 1321 O ALA A 144 14.361 11.471 4.000 1.00 0.00 O ATOM 1322 CB ALA A 144 15.455 9.354 1.998 1.00 0.00 C ATOM 0 H ALA A 144 16.512 10.786 0.302 1.00 0.00 H new ATOM 0 HA ALA A 144 14.066 10.918 1.557 1.00 0.00 H new ATOM 0 HB1 ALA A 144 14.871 8.934 2.816 1.00 0.00 H new ATOM 0 HB2 ALA A 144 15.219 8.825 1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 144 16.517 9.244 2.217 1.00 0.00 H new ATOM 1328 N GLN A 145 16.307 12.405 3.359 1.00 0.00 N ATOM 1329 CA GLN A 145 16.583 13.121 4.603 1.00 0.00 C ATOM 1330 C GLN A 145 16.948 14.591 4.339 1.00 0.00 C ATOM 1331 O GLN A 145 17.479 15.272 5.215 1.00 0.00 O ATOM 1332 CB GLN A 145 17.631 12.359 5.425 1.00 0.00 C ATOM 1333 CG GLN A 145 17.032 11.030 5.904 1.00 0.00 C ATOM 1334 CD GLN A 145 17.971 10.279 6.820 1.00 0.00 C ATOM 1335 OE1 GLN A 145 17.924 10.391 8.043 1.00 0.00 O ATOM 1336 NE2 GLN A 145 18.817 9.465 6.232 1.00 0.00 N ATOM 0 H GLN A 145 17.004 12.581 2.636 1.00 0.00 H new ATOM 0 HA GLN A 145 15.676 13.159 5.207 1.00 0.00 H new ATOM 0 HB2 GLN A 145 18.519 12.174 4.821 1.00 0.00 H new ATOM 0 HB3 GLN A 145 17.946 12.958 6.279 1.00 0.00 H new ATOM 0 HG2 GLN A 145 16.095 11.223 6.426 1.00 0.00 H new ATOM 0 HG3 GLN A 145 16.794 10.408 5.041 1.00 0.00 H new ATOM 0 HE21 GLN A 145 18.833 9.393 5.215 1.00 0.00 H new ATOM 0 HE22 GLN A 145 19.459 8.904 6.793 1.00 0.00 H new