USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 685 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 52 GLN : amide:sc= -1.85 K(o=-12,f=-13!) USER MOD Set 1.2: A 56 THR OG1 : rot 80:sc= -3.2! USER MOD Set 1.3: A 107 MET CE :methyl 154:sc= -6.9! (180deg=-3.72!) USER MOD Single : A 7 THR OG1 : rot -47:sc= 0.00916 USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00795) USER MOD Single : A 14 ASN : amide:sc= -4.28! C(o=-4.3!,f=-5.1!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 152:sc= -0.141 (180deg=-0.822) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot -134:sc= 1.16 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -1.22 X(o=-1.2,f=-1.3) USER MOD Single : A 64 SER OG : rot 139:sc= -0.874 USER MOD Single : A 70 ASN : amide:sc= 0.0467 K(o=0.047,f=-0.59) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -1.39 X(o=-1.4,f=-1.2) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -0.948 USER MOD Single : A 89 ASN : amide:sc= -0.921 K(o=-0.92,f=-2.5!) USER MOD Single : A 104 CYS SG : rot 10:sc= 0.154 USER MOD Single : A 106 MET CE :methyl -167:sc= -1.39 (180deg=-1.57) USER MOD Single : A 114 ASN : amide:sc= -0.0348 K(o=-0.035,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 7 1.518 -18.604 -0.746 1.00 0.00 N ATOM 82 CA THR A 7 0.465 -17.751 -0.208 1.00 0.00 C ATOM 83 C THR A 7 0.056 -16.687 -1.221 1.00 0.00 C ATOM 84 O THR A 7 -0.794 -15.842 -0.938 1.00 0.00 O ATOM 85 CB THR A 7 0.928 -17.085 1.091 1.00 0.00 C ATOM 86 OG1 THR A 7 -0.180 -16.758 1.909 1.00 0.00 O ATOM 87 CG2 THR A 7 1.725 -15.814 0.870 1.00 0.00 C ATOM 0 HA THR A 7 -0.401 -18.378 0.004 1.00 0.00 H new ATOM 0 HB THR A 7 1.575 -17.818 1.572 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.869 -16.319 1.367 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.020 -15.397 1.833 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.616 -16.041 0.285 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.113 -15.089 0.333 1.00 0.00 H new ATOM 95 N CYS A 8 0.673 -16.726 -2.397 1.00 0.00 N ATOM 96 CA CYS A 8 0.375 -15.757 -3.444 1.00 0.00 C ATOM 97 C CYS A 8 -0.274 -16.423 -4.655 1.00 0.00 C ATOM 98 O CYS A 8 0.406 -16.795 -5.610 1.00 0.00 O ATOM 99 CB CYS A 8 1.652 -15.025 -3.862 1.00 0.00 C ATOM 100 SG CYS A 8 2.818 -14.731 -2.492 1.00 0.00 S ATOM 0 H CYS A 8 1.381 -17.416 -2.648 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.336 -15.036 -3.041 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.155 -15.605 -4.636 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.381 -14.068 -4.307 1.00 0.00 H new ATOM 105 N PRO A 9 -1.612 -16.581 -4.628 1.00 0.00 N ATOM 106 CA PRO A 9 -2.354 -17.203 -5.726 1.00 0.00 C ATOM 107 C PRO A 9 -2.537 -16.267 -6.918 1.00 0.00 C ATOM 108 O PRO A 9 -2.008 -16.519 -8.002 1.00 0.00 O ATOM 109 CB PRO A 9 -3.705 -17.532 -5.089 1.00 0.00 C ATOM 110 CG PRO A 9 -3.881 -16.512 -4.019 1.00 0.00 C ATOM 111 CD PRO A 9 -2.500 -16.167 -3.523 1.00 0.00 C ATOM 0 HA PRO A 9 -1.832 -18.069 -6.132 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.511 -17.480 -5.821 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.713 -18.542 -4.678 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.386 -15.627 -4.406 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.498 -16.902 -3.209 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.406 -15.102 -3.312 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.263 -16.697 -2.600 1.00 0.00 H new ATOM 119 N GLU A 10 -3.290 -15.192 -6.714 1.00 0.00 N ATOM 120 CA GLU A 10 -3.546 -14.223 -7.774 1.00 0.00 C ATOM 121 C GLU A 10 -3.292 -12.796 -7.293 1.00 0.00 C ATOM 122 O GLU A 10 -2.247 -12.213 -7.580 1.00 0.00 O ATOM 123 CB GLU A 10 -4.985 -14.360 -8.275 1.00 0.00 C ATOM 124 CG GLU A 10 -5.377 -13.308 -9.297 1.00 0.00 C ATOM 125 CD GLU A 10 -6.471 -13.783 -10.234 1.00 0.00 C ATOM 126 OE1 GLU A 10 -6.237 -14.765 -10.969 1.00 0.00 O ATOM 127 OE2 GLU A 10 -7.560 -13.173 -10.232 1.00 0.00 O ATOM 0 H GLU A 10 -3.734 -14.969 -5.823 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.858 -14.430 -8.594 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.115 -15.348 -8.716 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.664 -14.299 -7.425 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.713 -12.410 -8.778 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.500 -13.029 -9.881 1.00 0.00 H new ATOM 134 N LYS A 11 -4.259 -12.241 -6.567 1.00 0.00 N ATOM 135 CA LYS A 11 -4.150 -10.879 -6.049 1.00 0.00 C ATOM 136 C LYS A 11 -2.831 -10.678 -5.310 1.00 0.00 C ATOM 137 O LYS A 11 -2.228 -9.607 -5.371 1.00 0.00 O ATOM 138 CB LYS A 11 -5.321 -10.572 -5.115 1.00 0.00 C ATOM 139 CG LYS A 11 -6.682 -10.726 -5.776 1.00 0.00 C ATOM 140 CD LYS A 11 -7.809 -10.618 -4.761 1.00 0.00 C ATOM 141 CE LYS A 11 -8.846 -9.592 -5.189 1.00 0.00 C ATOM 142 NZ LYS A 11 -10.090 -9.688 -4.376 1.00 0.00 N ATOM 0 H LYS A 11 -5.129 -12.714 -6.323 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.178 -10.194 -6.896 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.269 -11.234 -4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.220 -9.553 -4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.805 -9.959 -6.541 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.736 -11.691 -6.280 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.286 -11.591 -4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.400 -10.340 -3.789 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.427 -8.590 -5.094 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.088 -9.738 -6.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.791 -9.007 -4.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.477 -10.651 -4.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.872 -9.474 -3.382 1.00 0.00 H new ATOM 156 N TRP A 12 -2.388 -11.720 -4.616 1.00 0.00 N ATOM 157 CA TRP A 12 -1.142 -11.672 -3.868 1.00 0.00 C ATOM 158 C TRP A 12 0.053 -11.650 -4.818 1.00 0.00 C ATOM 159 O TRP A 12 0.013 -12.248 -5.893 1.00 0.00 O ATOM 160 CB TRP A 12 -1.037 -12.877 -2.934 1.00 0.00 C ATOM 161 CG TRP A 12 -2.011 -12.846 -1.795 1.00 0.00 C ATOM 162 CD1 TRP A 12 -3.373 -12.784 -1.879 1.00 0.00 C ATOM 163 CD2 TRP A 12 -1.696 -12.883 -0.399 1.00 0.00 C ATOM 164 NE1 TRP A 12 -3.923 -12.779 -0.620 1.00 0.00 N ATOM 165 CE2 TRP A 12 -2.913 -12.839 0.305 1.00 0.00 C ATOM 166 CE3 TRP A 12 -0.501 -12.949 0.325 1.00 0.00 C ATOM 167 CZ2 TRP A 12 -2.971 -12.859 1.697 1.00 0.00 C ATOM 168 CZ3 TRP A 12 -0.559 -12.968 1.706 1.00 0.00 C ATOM 169 CH2 TRP A 12 -1.786 -12.924 2.379 1.00 0.00 C ATOM 0 H TRP A 12 -2.878 -12.613 -4.557 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.136 -10.759 -3.273 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.196 -13.788 -3.512 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -0.025 -12.927 -2.533 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.935 -12.745 -2.800 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -4.920 -12.737 -0.408 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.450 -12.984 -0.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.916 -12.824 2.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 0.357 -13.018 2.275 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.798 -12.942 3.459 1.00 0.00 H new ATOM 180 N ILE A 13 1.115 -10.958 -4.417 1.00 0.00 N ATOM 181 CA ILE A 13 2.319 -10.861 -5.236 1.00 0.00 C ATOM 182 C ILE A 13 3.584 -11.007 -4.390 1.00 0.00 C ATOM 183 O ILE A 13 3.772 -10.283 -3.417 1.00 0.00 O ATOM 184 CB ILE A 13 2.384 -9.515 -5.987 1.00 0.00 C ATOM 185 CG1 ILE A 13 1.032 -8.785 -5.925 1.00 0.00 C ATOM 186 CG2 ILE A 13 2.817 -9.742 -7.423 1.00 0.00 C ATOM 187 CD1 ILE A 13 0.119 -9.055 -7.107 1.00 0.00 C ATOM 0 H ILE A 13 1.167 -10.456 -3.530 1.00 0.00 H new ATOM 0 HA ILE A 13 2.268 -11.677 -5.957 1.00 0.00 H new ATOM 0 HB ILE A 13 3.123 -8.879 -5.500 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.517 -9.077 -5.010 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.215 -7.712 -5.860 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.860 -8.786 -7.945 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.802 -10.208 -7.437 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.100 -10.395 -7.920 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.812 -8.501 -6.982 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.610 -8.736 -8.026 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.098 -10.122 -7.163 1.00 0.00 H new ATOM 199 N ASN A 14 4.452 -11.942 -4.773 1.00 0.00 N ATOM 200 CA ASN A 14 5.699 -12.176 -4.046 1.00 0.00 C ATOM 201 C ASN A 14 6.907 -11.709 -4.854 1.00 0.00 C ATOM 202 O ASN A 14 6.874 -11.690 -6.085 1.00 0.00 O ATOM 203 CB ASN A 14 5.833 -13.656 -3.678 1.00 0.00 C ATOM 204 CG ASN A 14 6.829 -13.892 -2.558 1.00 0.00 C ATOM 205 OD1 ASN A 14 6.456 -14.316 -1.463 1.00 0.00 O ATOM 206 ND2 ASN A 14 8.101 -13.621 -2.822 1.00 0.00 N ATOM 0 H ASN A 14 4.315 -12.549 -5.581 1.00 0.00 H new ATOM 0 HA ASN A 14 5.668 -11.591 -3.127 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.858 -14.042 -3.379 1.00 0.00 H new ATOM 0 HB3 ASN A 14 6.142 -14.219 -4.559 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.812 -13.762 -2.105 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.368 -13.271 -3.742 1.00 0.00 H new ATOM 213 N PHE A 15 7.969 -11.317 -4.150 1.00 0.00 N ATOM 214 CA PHE A 15 9.182 -10.831 -4.792 1.00 0.00 C ATOM 215 C PHE A 15 10.410 -11.584 -4.279 1.00 0.00 C ATOM 216 O PHE A 15 10.436 -12.814 -4.283 1.00 0.00 O ATOM 217 CB PHE A 15 9.334 -9.330 -4.536 1.00 0.00 C ATOM 218 CG PHE A 15 8.040 -8.573 -4.609 1.00 0.00 C ATOM 219 CD1 PHE A 15 7.541 -8.138 -5.825 1.00 0.00 C ATOM 220 CD2 PHE A 15 7.320 -8.300 -3.457 1.00 0.00 C ATOM 221 CE1 PHE A 15 6.348 -7.444 -5.892 1.00 0.00 C ATOM 222 CE2 PHE A 15 6.128 -7.607 -3.516 1.00 0.00 C ATOM 223 CZ PHE A 15 5.641 -7.177 -4.736 1.00 0.00 C ATOM 0 H PHE A 15 8.010 -11.328 -3.131 1.00 0.00 H new ATOM 0 HA PHE A 15 9.103 -11.007 -5.865 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.777 -9.181 -3.551 1.00 0.00 H new ATOM 0 HB3 PHE A 15 10.030 -8.914 -5.265 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.091 -8.343 -6.732 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.696 -8.634 -2.501 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.969 -7.111 -6.847 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.577 -7.401 -2.610 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.709 -6.633 -4.785 1.00 0.00 H new ATOM 233 N GLN A 16 11.425 -10.838 -3.837 1.00 0.00 N ATOM 234 CA GLN A 16 12.651 -11.436 -3.321 1.00 0.00 C ATOM 235 C GLN A 16 12.341 -12.516 -2.291 1.00 0.00 C ATOM 236 O GLN A 16 12.932 -13.595 -2.316 1.00 0.00 O ATOM 237 CB GLN A 16 13.546 -10.362 -2.700 1.00 0.00 C ATOM 238 CG GLN A 16 12.786 -9.344 -1.866 1.00 0.00 C ATOM 239 CD GLN A 16 13.151 -7.914 -2.216 1.00 0.00 C ATOM 240 OE1 GLN A 16 14.265 -7.463 -1.950 1.00 0.00 O ATOM 241 NE2 GLN A 16 12.211 -7.194 -2.818 1.00 0.00 N ATOM 0 H GLN A 16 11.419 -9.818 -3.828 1.00 0.00 H new ATOM 0 HA GLN A 16 13.177 -11.899 -4.156 1.00 0.00 H new ATOM 0 HB2 GLN A 16 14.297 -10.844 -2.074 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.080 -9.842 -3.495 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.715 -9.488 -2.011 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.991 -9.519 -0.810 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.301 -7.609 -3.019 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.399 -6.226 -3.079 1.00 0.00 H new ATOM 250 N ARG A 17 11.409 -12.222 -1.386 1.00 0.00 N ATOM 251 CA ARG A 17 11.030 -13.181 -0.356 1.00 0.00 C ATOM 252 C ARG A 17 9.750 -12.764 0.361 1.00 0.00 C ATOM 253 O ARG A 17 9.268 -13.476 1.244 1.00 0.00 O ATOM 254 CB ARG A 17 12.163 -13.351 0.658 1.00 0.00 C ATOM 255 CG ARG A 17 12.589 -12.050 1.318 1.00 0.00 C ATOM 256 CD ARG A 17 13.915 -11.552 0.766 1.00 0.00 C ATOM 257 NE ARG A 17 14.805 -11.081 1.823 1.00 0.00 N ATOM 258 CZ ARG A 17 15.017 -9.796 2.092 1.00 0.00 C ATOM 259 NH1 ARG A 17 14.403 -8.857 1.384 1.00 0.00 N ATOM 260 NH2 ARG A 17 15.841 -9.449 3.071 1.00 0.00 N ATOM 0 H ARG A 17 10.908 -11.335 -1.347 1.00 0.00 H new ATOM 0 HA ARG A 17 10.843 -14.134 -0.851 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.847 -14.053 1.429 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.024 -13.794 0.157 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.821 -11.293 1.161 1.00 0.00 H new ATOM 0 HG3 ARG A 17 12.675 -12.198 2.394 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.402 -12.355 0.213 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.732 -10.743 0.059 1.00 0.00 H new ATOM 0 HE ARG A 17 15.292 -11.777 2.387 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.767 -9.120 0.631 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.567 -7.872 1.592 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.313 -10.168 3.619 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.003 -8.463 3.276 1.00 0.00 H new ATOM 274 N LYS A 18 9.193 -11.622 -0.025 1.00 0.00 N ATOM 275 CA LYS A 18 7.965 -11.140 0.581 1.00 0.00 C ATOM 276 C LYS A 18 6.839 -11.143 -0.428 1.00 0.00 C ATOM 277 O LYS A 18 7.062 -11.117 -1.632 1.00 0.00 O ATOM 278 CB LYS A 18 8.126 -9.732 1.141 1.00 0.00 C ATOM 279 CG LYS A 18 8.340 -8.679 0.072 1.00 0.00 C ATOM 280 CD LYS A 18 9.660 -7.958 0.264 1.00 0.00 C ATOM 281 CE LYS A 18 9.451 -6.543 0.775 1.00 0.00 C ATOM 282 NZ LYS A 18 10.643 -6.033 1.507 1.00 0.00 N ATOM 0 H LYS A 18 9.573 -11.017 -0.753 1.00 0.00 H new ATOM 0 HA LYS A 18 7.728 -11.816 1.403 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.239 -9.476 1.720 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.971 -9.717 1.829 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.319 -9.147 -0.912 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.522 -7.959 0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.280 -8.513 0.968 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.201 -7.928 -0.682 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.231 -5.883 -0.064 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.583 -6.520 1.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.459 -5.065 1.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.838 -6.647 2.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.466 -6.030 0.871 1.00 0.00 H new ATOM 296 N CYS A 19 5.632 -11.160 0.085 1.00 0.00 N ATOM 297 CA CYS A 19 4.448 -11.154 -0.751 1.00 0.00 C ATOM 298 C CYS A 19 3.539 -9.999 -0.362 1.00 0.00 C ATOM 299 O CYS A 19 3.718 -9.384 0.688 1.00 0.00 O ATOM 300 CB CYS A 19 3.706 -12.491 -0.646 1.00 0.00 C ATOM 301 SG CYS A 19 2.505 -12.789 -1.985 1.00 0.00 S ATOM 0 H CYS A 19 5.440 -11.178 1.087 1.00 0.00 H new ATOM 0 HA CYS A 19 4.753 -11.020 -1.789 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.437 -13.300 -0.643 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.184 -12.529 0.310 1.00 0.00 H new ATOM 306 N TYR A 20 2.574 -9.706 -1.215 1.00 0.00 N ATOM 307 CA TYR A 20 1.641 -8.619 -0.972 1.00 0.00 C ATOM 308 C TYR A 20 0.217 -9.137 -1.018 1.00 0.00 C ATOM 309 O TYR A 20 -0.149 -9.880 -1.922 1.00 0.00 O ATOM 310 CB TYR A 20 1.793 -7.518 -2.032 1.00 0.00 C ATOM 311 CG TYR A 20 2.932 -6.546 -1.804 1.00 0.00 C ATOM 312 CD1 TYR A 20 3.949 -6.808 -0.895 1.00 0.00 C ATOM 313 CD2 TYR A 20 2.981 -5.353 -2.513 1.00 0.00 C ATOM 314 CE1 TYR A 20 4.980 -5.907 -0.698 1.00 0.00 C ATOM 315 CE2 TYR A 20 4.006 -4.448 -2.325 1.00 0.00 C ATOM 316 CZ TYR A 20 5.004 -4.729 -1.415 1.00 0.00 C ATOM 317 OH TYR A 20 6.028 -3.831 -1.223 1.00 0.00 O ATOM 0 H TYR A 20 2.415 -10.209 -2.088 1.00 0.00 H new ATOM 0 HA TYR A 20 1.861 -8.205 0.012 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.931 -7.991 -3.004 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.862 -6.954 -2.081 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.935 -7.730 -0.333 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.201 -5.129 -3.226 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.762 -6.125 0.014 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.027 -3.526 -2.887 1.00 0.00 H new ATOM 0 HH TYR A 20 5.896 -3.054 -1.806 1.00 0.00 H new ATOM 327 N TYR A 21 -0.588 -8.722 -0.059 1.00 0.00 N ATOM 328 CA TYR A 21 -1.976 -9.127 -0.014 1.00 0.00 C ATOM 329 C TYR A 21 -2.823 -8.017 -0.616 1.00 0.00 C ATOM 330 O TYR A 21 -2.956 -6.936 -0.044 1.00 0.00 O ATOM 331 CB TYR A 21 -2.392 -9.417 1.432 1.00 0.00 C ATOM 332 CG TYR A 21 -3.886 -9.406 1.666 1.00 0.00 C ATOM 333 CD1 TYR A 21 -4.760 -9.987 0.756 1.00 0.00 C ATOM 334 CD2 TYR A 21 -4.419 -8.817 2.803 1.00 0.00 C ATOM 335 CE1 TYR A 21 -6.123 -9.978 0.971 1.00 0.00 C ATOM 336 CE2 TYR A 21 -5.779 -8.803 3.029 1.00 0.00 C ATOM 337 CZ TYR A 21 -6.629 -9.386 2.110 1.00 0.00 C ATOM 338 OH TYR A 21 -7.988 -9.375 2.331 1.00 0.00 O ATOM 0 H TYR A 21 -0.302 -8.103 0.700 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.122 -10.041 -0.589 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.998 -10.391 1.722 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.929 -8.678 2.086 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.366 -10.454 -0.135 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.757 -8.361 3.524 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.790 -10.431 0.252 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.177 -8.339 3.919 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.178 -8.921 3.178 1.00 0.00 H new ATOM 348 N PHE A 22 -3.365 -8.288 -1.792 1.00 0.00 N ATOM 349 CA PHE A 22 -4.168 -7.318 -2.509 1.00 0.00 C ATOM 350 C PHE A 22 -5.657 -7.615 -2.354 1.00 0.00 C ATOM 351 O PHE A 22 -6.106 -8.735 -2.598 1.00 0.00 O ATOM 352 CB PHE A 22 -3.772 -7.343 -3.990 1.00 0.00 C ATOM 353 CG PHE A 22 -2.450 -6.680 -4.296 1.00 0.00 C ATOM 354 CD1 PHE A 22 -1.649 -6.176 -3.282 1.00 0.00 C ATOM 355 CD2 PHE A 22 -2.008 -6.567 -5.607 1.00 0.00 C ATOM 356 CE1 PHE A 22 -0.439 -5.572 -3.568 1.00 0.00 C ATOM 357 CE2 PHE A 22 -0.796 -5.966 -5.898 1.00 0.00 C ATOM 358 CZ PHE A 22 -0.011 -5.468 -4.876 1.00 0.00 C ATOM 0 H PHE A 22 -3.260 -9.182 -2.272 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.984 -6.327 -2.093 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -3.730 -8.380 -4.324 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.553 -6.852 -4.570 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.975 -6.257 -2.256 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.618 -6.953 -6.410 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.172 -5.181 -2.768 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.464 -5.886 -6.923 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.935 -4.998 -5.100 1.00 0.00 H new ATOM 368 N GLY A 23 -6.418 -6.603 -1.948 1.00 0.00 N ATOM 369 CA GLY A 23 -7.847 -6.774 -1.768 1.00 0.00 C ATOM 370 C GLY A 23 -8.623 -5.506 -2.064 1.00 0.00 C ATOM 371 O GLY A 23 -8.046 -4.498 -2.472 1.00 0.00 O ATOM 0 H GLY A 23 -6.069 -5.667 -1.741 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.199 -7.573 -2.420 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.046 -7.088 -0.743 1.00 0.00 H new ATOM 375 N LYS A 24 -9.936 -5.556 -1.857 1.00 0.00 N ATOM 376 CA LYS A 24 -10.792 -4.403 -2.102 1.00 0.00 C ATOM 377 C LYS A 24 -11.402 -3.893 -0.801 1.00 0.00 C ATOM 378 O LYS A 24 -11.450 -4.611 0.198 1.00 0.00 O ATOM 379 CB LYS A 24 -11.902 -4.762 -3.091 1.00 0.00 C ATOM 380 CG LYS A 24 -11.418 -4.889 -4.526 1.00 0.00 C ATOM 381 CD LYS A 24 -11.564 -6.313 -5.038 1.00 0.00 C ATOM 382 CE LYS A 24 -12.907 -6.525 -5.718 1.00 0.00 C ATOM 383 NZ LYS A 24 -13.074 -5.644 -6.907 1.00 0.00 N ATOM 0 H LYS A 24 -10.429 -6.383 -1.520 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.177 -3.612 -2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.359 -5.703 -2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.680 -4.000 -3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.986 -4.212 -5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.373 -4.584 -4.587 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.760 -6.532 -5.741 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.461 -7.012 -4.208 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.999 -7.567 -6.023 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.709 -6.330 -5.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.712 -6.100 -7.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.479 -4.733 -6.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.148 -5.482 -7.352 1.00 0.00 H new ATOM 440 N GLN A 28 -10.600 4.548 4.788 1.00 0.00 N ATOM 441 CA GLN A 28 -9.485 5.488 4.762 1.00 0.00 C ATOM 442 C GLN A 28 -8.151 4.759 4.904 1.00 0.00 C ATOM 443 O GLN A 28 -8.104 3.529 4.927 1.00 0.00 O ATOM 444 CB GLN A 28 -9.637 6.522 5.880 1.00 0.00 C ATOM 445 CG GLN A 28 -11.010 7.172 5.924 1.00 0.00 C ATOM 446 CD GLN A 28 -10.955 8.621 6.370 1.00 0.00 C ATOM 447 OE1 GLN A 28 -10.580 9.505 5.600 1.00 0.00 O ATOM 448 NE2 GLN A 28 -11.330 8.869 7.619 1.00 0.00 N ATOM 0 HA GLN A 28 -9.496 5.999 3.799 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.441 6.041 6.838 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.881 7.297 5.752 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.466 7.117 4.935 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.652 6.611 6.603 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.634 8.104 8.222 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.315 9.824 7.976 1.00 0.00 H new ATOM 457 N TRP A 29 -7.070 5.528 4.996 1.00 0.00 N ATOM 458 CA TRP A 29 -5.734 4.959 5.134 1.00 0.00 C ATOM 459 C TRP A 29 -5.580 4.234 6.466 1.00 0.00 C ATOM 460 O TRP A 29 -5.097 3.103 6.517 1.00 0.00 O ATOM 461 CB TRP A 29 -4.673 6.054 5.012 1.00 0.00 C ATOM 462 CG TRP A 29 -3.286 5.569 5.304 1.00 0.00 C ATOM 463 CD1 TRP A 29 -2.405 5.026 4.415 1.00 0.00 C ATOM 464 CD2 TRP A 29 -2.623 5.579 6.573 1.00 0.00 C ATOM 465 NE1 TRP A 29 -1.235 4.695 5.053 1.00 0.00 N ATOM 466 CE2 TRP A 29 -1.344 5.026 6.379 1.00 0.00 C ATOM 467 CE3 TRP A 29 -2.987 6.000 7.855 1.00 0.00 C ATOM 468 CZ2 TRP A 29 -0.428 4.886 7.419 1.00 0.00 C ATOM 469 CZ3 TRP A 29 -2.077 5.860 8.886 1.00 0.00 C ATOM 470 CH2 TRP A 29 -0.811 5.307 8.662 1.00 0.00 C ATOM 0 H TRP A 29 -7.094 6.548 4.977 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.595 4.235 4.331 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.701 6.467 4.004 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.918 6.866 5.696 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.599 4.878 3.363 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.418 4.272 4.612 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.962 6.427 8.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.550 4.460 7.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.347 6.183 9.881 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.122 5.211 9.488 1.00 0.00 H new ATOM 481 N VAL A 30 -5.992 4.897 7.538 1.00 0.00 N ATOM 482 CA VAL A 30 -5.902 4.325 8.876 1.00 0.00 C ATOM 483 C VAL A 30 -6.602 2.975 8.942 1.00 0.00 C ATOM 484 O VAL A 30 -6.209 2.096 9.707 1.00 0.00 O ATOM 485 CB VAL A 30 -6.511 5.263 9.934 1.00 0.00 C ATOM 486 CG1 VAL A 30 -5.602 6.458 10.175 1.00 0.00 C ATOM 487 CG2 VAL A 30 -7.898 5.718 9.509 1.00 0.00 C ATOM 0 H VAL A 30 -6.393 5.834 7.508 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.842 4.192 9.092 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.605 4.712 10.870 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.049 7.110 10.926 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.631 6.111 10.528 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.474 7.011 9.245 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.313 6.380 10.269 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.831 6.251 8.561 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.546 4.849 9.392 1.00 0.00 H new ATOM 497 N HIS A 31 -7.645 2.816 8.138 1.00 0.00 N ATOM 498 CA HIS A 31 -8.394 1.571 8.112 1.00 0.00 C ATOM 499 C HIS A 31 -7.588 0.469 7.434 1.00 0.00 C ATOM 500 O HIS A 31 -7.712 -0.704 7.783 1.00 0.00 O ATOM 501 CB HIS A 31 -9.731 1.763 7.396 1.00 0.00 C ATOM 502 CG HIS A 31 -10.913 1.686 8.312 1.00 0.00 C ATOM 503 ND1 HIS A 31 -11.339 2.749 9.081 1.00 0.00 N ATOM 504 CD2 HIS A 31 -11.758 0.664 8.586 1.00 0.00 C ATOM 505 CE1 HIS A 31 -12.395 2.383 9.786 1.00 0.00 C ATOM 506 NE2 HIS A 31 -12.669 1.124 9.504 1.00 0.00 N ATOM 0 H HIS A 31 -7.989 3.532 7.498 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.589 1.273 9.142 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.731 2.731 6.896 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.832 1.004 6.621 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.722 -0.328 8.161 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -12.941 3.009 10.476 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.434 0.580 9.903 1.00 0.00 H new ATOM 515 N ALA A 32 -6.758 0.851 6.467 1.00 0.00 N ATOM 516 CA ALA A 32 -5.934 -0.115 5.755 1.00 0.00 C ATOM 517 C ALA A 32 -4.828 -0.649 6.654 1.00 0.00 C ATOM 518 O ALA A 32 -4.626 -1.858 6.752 1.00 0.00 O ATOM 519 CB ALA A 32 -5.341 0.513 4.503 1.00 0.00 C ATOM 0 H ALA A 32 -6.640 1.817 6.162 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.568 -0.951 5.459 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.728 -0.223 3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.145 0.845 3.846 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.724 1.368 4.782 1.00 0.00 H new ATOM 525 N ARG A 33 -4.123 0.259 7.317 1.00 0.00 N ATOM 526 CA ARG A 33 -3.044 -0.123 8.216 1.00 0.00 C ATOM 527 C ARG A 33 -3.565 -0.996 9.351 1.00 0.00 C ATOM 528 O ARG A 33 -2.909 -1.952 9.763 1.00 0.00 O ATOM 529 CB ARG A 33 -2.350 1.117 8.786 1.00 0.00 C ATOM 530 CG ARG A 33 -3.301 2.108 9.435 1.00 0.00 C ATOM 531 CD ARG A 33 -3.262 2.007 10.950 1.00 0.00 C ATOM 532 NE ARG A 33 -2.856 3.264 11.572 1.00 0.00 N ATOM 533 CZ ARG A 33 -1.922 3.353 12.515 1.00 0.00 C ATOM 534 NH1 ARG A 33 -1.300 2.263 12.942 1.00 0.00 N ATOM 535 NH2 ARG A 33 -1.609 4.534 13.030 1.00 0.00 N ATOM 0 H ARG A 33 -4.280 1.265 7.248 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.318 -0.698 7.641 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.611 0.802 9.522 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.808 1.619 7.985 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.037 3.121 9.130 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.316 1.924 9.083 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.247 1.721 11.320 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.570 1.217 11.243 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.314 4.122 11.266 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.537 1.353 12.547 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -0.584 2.334 13.665 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.085 5.375 12.703 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -0.893 4.601 13.753 1.00 0.00 H new ATOM 549 N TYR A 34 -4.748 -0.659 9.854 1.00 0.00 N ATOM 550 CA TYR A 34 -5.356 -1.412 10.945 1.00 0.00 C ATOM 551 C TYR A 34 -5.856 -2.770 10.463 1.00 0.00 C ATOM 552 O TYR A 34 -5.786 -3.761 11.190 1.00 0.00 O ATOM 553 CB TYR A 34 -6.510 -0.619 11.560 1.00 0.00 C ATOM 554 CG TYR A 34 -6.479 -0.575 13.071 1.00 0.00 C ATOM 555 CD1 TYR A 34 -6.904 -1.662 13.825 1.00 0.00 C ATOM 556 CD2 TYR A 34 -6.024 0.552 13.743 1.00 0.00 C ATOM 557 CE1 TYR A 34 -6.878 -1.625 15.207 1.00 0.00 C ATOM 558 CE2 TYR A 34 -5.994 0.596 15.125 1.00 0.00 C ATOM 559 CZ TYR A 34 -6.421 -0.495 15.851 1.00 0.00 C ATOM 560 OH TYR A 34 -6.393 -0.454 17.226 1.00 0.00 O ATOM 0 H TYR A 34 -5.304 0.130 9.524 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.592 -1.578 11.705 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.485 0.400 11.175 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.454 -1.058 11.237 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.260 -2.550 13.324 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.688 1.408 13.177 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.214 -2.477 15.779 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.638 1.480 15.633 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.043 0.413 17.520 1.00 0.00 H new ATOM 570 N ALA A 35 -6.365 -2.806 9.237 1.00 0.00 N ATOM 571 CA ALA A 35 -6.882 -4.041 8.661 1.00 0.00 C ATOM 572 C ALA A 35 -5.767 -5.051 8.425 1.00 0.00 C ATOM 573 O ALA A 35 -5.934 -6.244 8.677 1.00 0.00 O ATOM 574 CB ALA A 35 -7.622 -3.754 7.365 1.00 0.00 C ATOM 0 H ALA A 35 -6.431 -1.994 8.623 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.581 -4.476 9.375 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.001 -4.687 6.948 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.455 -3.080 7.563 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.941 -3.289 6.652 1.00 0.00 H new ATOM 580 N CYS A 36 -4.630 -4.565 7.945 1.00 0.00 N ATOM 581 CA CYS A 36 -3.489 -5.428 7.682 1.00 0.00 C ATOM 582 C CYS A 36 -2.792 -5.797 8.985 1.00 0.00 C ATOM 583 O CYS A 36 -2.154 -6.845 9.088 1.00 0.00 O ATOM 584 CB CYS A 36 -2.505 -4.738 6.735 1.00 0.00 C ATOM 585 SG CYS A 36 -3.293 -3.914 5.313 1.00 0.00 S ATOM 0 H CYS A 36 -4.475 -3.580 7.731 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.849 -6.341 7.207 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.933 -4.000 7.297 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.795 -5.477 6.365 1.00 0.00 H new ATOM 590 N ASP A 37 -2.926 -4.927 9.981 1.00 0.00 N ATOM 591 CA ASP A 37 -2.318 -5.154 11.286 1.00 0.00 C ATOM 592 C ASP A 37 -3.086 -6.214 12.069 1.00 0.00 C ATOM 593 O ASP A 37 -2.556 -6.820 13.000 1.00 0.00 O ATOM 594 CB ASP A 37 -2.267 -3.851 12.085 1.00 0.00 C ATOM 595 CG ASP A 37 -0.856 -3.322 12.241 1.00 0.00 C ATOM 596 OD1 ASP A 37 -0.001 -4.061 12.776 1.00 0.00 O ATOM 597 OD2 ASP A 37 -0.604 -2.171 11.827 1.00 0.00 O ATOM 0 H ASP A 37 -3.452 -4.056 9.908 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.301 -5.512 11.125 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.881 -3.100 11.588 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.701 -4.016 13.071 1.00 0.00 H new ATOM 602 N ASP A 38 -4.343 -6.426 11.689 1.00 0.00 N ATOM 603 CA ASP A 38 -5.194 -7.403 12.358 1.00 0.00 C ATOM 604 C ASP A 38 -4.583 -8.799 12.309 1.00 0.00 C ATOM 605 O ASP A 38 -4.653 -9.550 13.283 1.00 0.00 O ATOM 606 CB ASP A 38 -6.584 -7.422 11.718 1.00 0.00 C ATOM 607 CG ASP A 38 -7.695 -7.379 12.748 1.00 0.00 C ATOM 608 OD1 ASP A 38 -7.800 -6.363 13.467 1.00 0.00 O ATOM 609 OD2 ASP A 38 -8.463 -8.361 12.834 1.00 0.00 O ATOM 0 H ASP A 38 -4.795 -5.932 10.919 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.281 -7.106 13.403 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.683 -6.570 11.045 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.689 -8.321 11.111 1.00 0.00 H new ATOM 614 N MET A 39 -3.984 -9.142 11.172 1.00 0.00 N ATOM 615 CA MET A 39 -3.363 -10.454 11.000 1.00 0.00 C ATOM 616 C MET A 39 -2.705 -10.587 9.628 1.00 0.00 C ATOM 617 O MET A 39 -1.758 -11.357 9.463 1.00 0.00 O ATOM 618 CB MET A 39 -4.402 -11.564 11.179 1.00 0.00 C ATOM 619 CG MET A 39 -5.630 -11.396 10.299 1.00 0.00 C ATOM 620 SD MET A 39 -6.734 -12.819 10.369 1.00 0.00 S ATOM 621 CE MET A 39 -8.332 -12.012 10.293 1.00 0.00 C ATOM 0 H MET A 39 -3.915 -8.532 10.357 1.00 0.00 H new ATOM 0 HA MET A 39 -2.590 -10.552 11.762 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.936 -12.525 10.959 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.715 -11.593 12.223 1.00 0.00 H new ATOM 0 HG2 MET A 39 -6.174 -10.503 10.608 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.314 -11.236 9.268 1.00 0.00 H new ATOM 0 HE1 MET A 39 -9.121 -12.763 10.327 1.00 0.00 H new ATOM 0 HE2 MET A 39 -8.439 -11.336 11.141 1.00 0.00 H new ATOM 0 HE3 MET A 39 -8.410 -11.445 9.365 1.00 0.00 H new ATOM 631 N GLU A 40 -3.219 -9.845 8.649 1.00 0.00 N ATOM 632 CA GLU A 40 -2.689 -9.887 7.288 1.00 0.00 C ATOM 633 C GLU A 40 -1.163 -9.810 7.279 1.00 0.00 C ATOM 634 O GLU A 40 -0.485 -10.837 7.314 1.00 0.00 O ATOM 635 CB GLU A 40 -3.282 -8.749 6.455 1.00 0.00 C ATOM 636 CG GLU A 40 -4.801 -8.775 6.380 1.00 0.00 C ATOM 637 CD GLU A 40 -5.350 -10.161 6.099 1.00 0.00 C ATOM 638 OE1 GLU A 40 -4.808 -10.845 5.206 1.00 0.00 O ATOM 639 OE2 GLU A 40 -6.323 -10.562 6.773 1.00 0.00 O ATOM 0 H GLU A 40 -4.004 -9.206 8.774 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.977 -10.841 6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.964 -7.796 6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.876 -8.800 5.445 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.213 -8.409 7.320 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.134 -8.092 5.599 1.00 0.00 H new ATOM 646 N GLY A 41 -0.623 -8.595 7.228 1.00 0.00 N ATOM 647 CA GLY A 41 0.821 -8.433 7.214 1.00 0.00 C ATOM 648 C GLY A 41 1.278 -7.091 7.748 1.00 0.00 C ATOM 649 O GLY A 41 1.464 -6.918 8.953 1.00 0.00 O ATOM 0 H GLY A 41 -1.155 -7.725 7.196 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.275 -9.226 7.808 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.183 -8.553 6.193 1.00 0.00 H new ATOM 653 N GLN A 42 1.483 -6.153 6.838 1.00 0.00 N ATOM 654 CA GLN A 42 1.949 -4.819 7.171 1.00 0.00 C ATOM 655 C GLN A 42 1.475 -3.874 6.096 1.00 0.00 C ATOM 656 O GLN A 42 1.120 -4.318 5.010 1.00 0.00 O ATOM 657 CB GLN A 42 3.477 -4.791 7.241 1.00 0.00 C ATOM 658 CG GLN A 42 4.058 -3.388 7.310 1.00 0.00 C ATOM 659 CD GLN A 42 5.572 -3.376 7.227 1.00 0.00 C ATOM 660 OE1 GLN A 42 6.255 -4.002 8.038 1.00 0.00 O ATOM 661 NE2 GLN A 42 6.103 -2.660 6.243 1.00 0.00 N ATOM 0 H GLN A 42 1.329 -6.298 5.840 1.00 0.00 H new ATOM 0 HA GLN A 42 1.555 -4.522 8.143 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.803 -5.353 8.116 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.882 -5.300 6.366 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.649 -2.790 6.496 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.746 -2.915 8.241 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.498 -2.157 5.594 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.116 -2.613 6.136 1.00 0.00 H new ATOM 670 N LEU A 43 1.467 -2.582 6.349 1.00 0.00 N ATOM 671 CA LEU A 43 1.030 -1.700 5.307 1.00 0.00 C ATOM 672 C LEU A 43 2.152 -1.651 4.284 1.00 0.00 C ATOM 673 O LEU A 43 3.258 -1.183 4.555 1.00 0.00 O ATOM 674 CB LEU A 43 0.731 -0.308 5.868 1.00 0.00 C ATOM 675 CG LEU A 43 -0.408 0.455 5.184 1.00 0.00 C ATOM 676 CD1 LEU A 43 -1.684 -0.368 5.174 1.00 0.00 C ATOM 677 CD2 LEU A 43 -0.640 1.784 5.880 1.00 0.00 C ATOM 0 H LEU A 43 1.745 -2.142 7.226 1.00 0.00 H new ATOM 0 HA LEU A 43 0.107 -2.056 4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.492 -0.407 6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.638 0.293 5.800 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.120 0.644 4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.477 0.196 4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.512 -1.299 4.633 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.980 -0.593 6.199 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.452 2.317 5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.904 1.607 6.923 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.269 2.383 5.833 1.00 0.00 H new ATOM 689 N VAL A 44 1.830 -2.201 3.123 1.00 0.00 N ATOM 690 CA VAL A 44 2.743 -2.331 1.994 1.00 0.00 C ATOM 691 C VAL A 44 3.919 -1.368 2.033 1.00 0.00 C ATOM 692 O VAL A 44 5.061 -1.780 2.238 1.00 0.00 O ATOM 693 CB VAL A 44 1.980 -2.163 0.676 1.00 0.00 C ATOM 694 CG1 VAL A 44 1.732 -3.519 0.047 1.00 0.00 C ATOM 695 CG2 VAL A 44 0.666 -1.435 0.914 1.00 0.00 C ATOM 0 H VAL A 44 0.902 -2.580 2.934 1.00 0.00 H new ATOM 0 HA VAL A 44 3.166 -3.333 2.066 1.00 0.00 H new ATOM 0 HB VAL A 44 2.582 -1.565 -0.008 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.189 -3.392 -0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.686 -4.009 -0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.142 -4.133 0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.135 -1.323 -0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.053 -2.009 1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.867 -0.450 1.336 1.00 0.00 H new ATOM 705 N SER A 45 3.638 -0.100 1.807 1.00 0.00 N ATOM 706 CA SER A 45 4.680 0.923 1.789 1.00 0.00 C ATOM 707 C SER A 45 5.631 0.665 0.627 1.00 0.00 C ATOM 708 O SER A 45 6.851 0.642 0.793 1.00 0.00 O ATOM 709 CB SER A 45 5.453 0.932 3.108 1.00 0.00 C ATOM 710 OG SER A 45 5.966 2.222 3.388 1.00 0.00 O ATOM 0 H SER A 45 2.697 0.253 1.632 1.00 0.00 H new ATOM 0 HA SER A 45 4.210 1.898 1.662 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.798 0.613 3.919 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.272 0.214 3.058 1.00 0.00 H new ATOM 0 HG SER A 45 6.901 2.148 3.671 1.00 0.00 H new ATOM 716 N ILE A 46 5.043 0.456 -0.544 1.00 0.00 N ATOM 717 CA ILE A 46 5.795 0.177 -1.766 1.00 0.00 C ATOM 718 C ILE A 46 7.024 1.069 -1.896 1.00 0.00 C ATOM 719 O ILE A 46 6.988 2.251 -1.556 1.00 0.00 O ATOM 720 CB ILE A 46 4.912 0.352 -3.020 1.00 0.00 C ATOM 721 CG1 ILE A 46 3.545 0.929 -2.646 1.00 0.00 C ATOM 722 CG2 ILE A 46 4.744 -0.975 -3.736 1.00 0.00 C ATOM 723 CD1 ILE A 46 2.664 1.216 -3.838 1.00 0.00 C ATOM 0 H ILE A 46 4.032 0.475 -0.676 1.00 0.00 H new ATOM 0 HA ILE A 46 6.122 -0.860 -1.694 1.00 0.00 H new ATOM 0 HB ILE A 46 5.408 1.053 -3.691 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.033 0.229 -1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.691 1.850 -2.082 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.119 -0.836 -4.618 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.721 -1.351 -4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.271 -1.693 -3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.712 1.623 -3.497 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.156 1.940 -4.488 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.487 0.293 -4.391 1.00 0.00 H new ATOM 735 N HIS A 47 8.114 0.487 -2.389 1.00 0.00 N ATOM 736 CA HIS A 47 9.363 1.219 -2.568 1.00 0.00 C ATOM 737 C HIS A 47 9.989 0.911 -3.925 1.00 0.00 C ATOM 738 O HIS A 47 11.040 1.452 -4.269 1.00 0.00 O ATOM 739 CB HIS A 47 10.346 0.870 -1.449 1.00 0.00 C ATOM 740 CG HIS A 47 10.375 -0.588 -1.110 1.00 0.00 C ATOM 741 ND1 HIS A 47 10.966 -1.538 -1.917 1.00 0.00 N ATOM 742 CD2 HIS A 47 9.882 -1.260 -0.043 1.00 0.00 C ATOM 743 CE1 HIS A 47 10.834 -2.729 -1.362 1.00 0.00 C ATOM 744 NE2 HIS A 47 10.181 -2.588 -0.223 1.00 0.00 N ATOM 0 H HIS A 47 8.157 -0.492 -2.672 1.00 0.00 H new ATOM 0 HA HIS A 47 9.138 2.285 -2.528 1.00 0.00 H new ATOM 0 HB2 HIS A 47 11.347 1.186 -1.744 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.083 1.437 -0.556 1.00 0.00 H new ATOM 0 HD2 HIS A 47 9.352 -0.831 0.794 1.00 0.00 H new ATOM 0 HE1 HIS A 47 11.198 -3.660 -1.770 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.938 -3.343 0.419 1.00 0.00 H new ATOM 753 N SER A 48 9.336 0.044 -4.695 1.00 0.00 N ATOM 754 CA SER A 48 9.826 -0.328 -6.013 1.00 0.00 C ATOM 755 C SER A 48 8.820 0.071 -7.082 1.00 0.00 C ATOM 756 O SER A 48 7.658 -0.327 -7.024 1.00 0.00 O ATOM 757 CB SER A 48 10.089 -1.834 -6.078 1.00 0.00 C ATOM 758 OG SER A 48 11.323 -2.108 -6.720 1.00 0.00 O ATOM 0 H SER A 48 8.465 -0.413 -4.425 1.00 0.00 H new ATOM 0 HA SER A 48 10.762 0.200 -6.195 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.100 -2.249 -5.070 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.278 -2.325 -6.616 1.00 0.00 H new ATOM 0 HG SER A 48 11.469 -3.077 -6.748 1.00 0.00 H new ATOM 764 N PRO A 49 9.253 0.865 -8.077 1.00 0.00 N ATOM 765 CA PRO A 49 8.375 1.309 -9.159 1.00 0.00 C ATOM 766 C PRO A 49 7.547 0.160 -9.716 1.00 0.00 C ATOM 767 O PRO A 49 6.424 0.356 -10.180 1.00 0.00 O ATOM 768 CB PRO A 49 9.353 1.836 -10.207 1.00 0.00 C ATOM 769 CG PRO A 49 10.525 2.308 -9.416 1.00 0.00 C ATOM 770 CD PRO A 49 10.625 1.388 -8.228 1.00 0.00 C ATOM 0 HA PRO A 49 7.648 2.053 -8.833 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.638 1.056 -10.913 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.914 2.646 -10.789 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.437 2.275 -10.013 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.390 3.342 -9.098 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.343 0.586 -8.401 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.952 1.921 -7.335 1.00 0.00 H new ATOM 778 N GLU A 50 8.109 -1.045 -9.655 1.00 0.00 N ATOM 779 CA GLU A 50 7.425 -2.232 -10.137 1.00 0.00 C ATOM 780 C GLU A 50 6.309 -2.637 -9.190 1.00 0.00 C ATOM 781 O GLU A 50 5.197 -2.941 -9.618 1.00 0.00 O ATOM 782 CB GLU A 50 8.404 -3.393 -10.295 1.00 0.00 C ATOM 783 CG GLU A 50 7.733 -4.699 -10.670 1.00 0.00 C ATOM 784 CD GLU A 50 8.610 -5.906 -10.401 1.00 0.00 C ATOM 785 OE1 GLU A 50 8.775 -6.268 -9.217 1.00 0.00 O ATOM 786 OE2 GLU A 50 9.133 -6.490 -11.373 1.00 0.00 O ATOM 0 H GLU A 50 9.039 -1.220 -9.275 1.00 0.00 H new ATOM 0 HA GLU A 50 6.994 -1.993 -11.109 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.138 -3.138 -11.059 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.949 -3.528 -9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.803 -4.799 -10.110 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.468 -4.676 -11.727 1.00 0.00 H new ATOM 793 N GLU A 51 6.620 -2.651 -7.900 1.00 0.00 N ATOM 794 CA GLU A 51 5.648 -3.030 -6.887 1.00 0.00 C ATOM 795 C GLU A 51 4.493 -2.037 -6.849 1.00 0.00 C ATOM 796 O GLU A 51 3.329 -2.431 -6.769 1.00 0.00 O ATOM 797 CB GLU A 51 6.320 -3.126 -5.517 1.00 0.00 C ATOM 798 CG GLU A 51 7.484 -4.103 -5.477 1.00 0.00 C ATOM 799 CD GLU A 51 8.158 -4.149 -4.120 1.00 0.00 C ATOM 800 OE1 GLU A 51 8.475 -3.070 -3.576 1.00 0.00 O ATOM 801 OE2 GLU A 51 8.370 -5.266 -3.601 1.00 0.00 O ATOM 0 H GLU A 51 7.539 -2.404 -7.532 1.00 0.00 H new ATOM 0 HA GLU A 51 5.245 -4.009 -7.146 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.676 -2.138 -5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.578 -3.428 -4.778 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.126 -5.100 -5.735 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.217 -3.821 -6.233 1.00 0.00 H new ATOM 808 N GLN A 52 4.817 -0.750 -6.922 1.00 0.00 N ATOM 809 CA GLN A 52 3.795 0.289 -6.912 1.00 0.00 C ATOM 810 C GLN A 52 2.938 0.183 -8.164 1.00 0.00 C ATOM 811 O GLN A 52 1.720 0.310 -8.104 1.00 0.00 O ATOM 812 CB GLN A 52 4.435 1.682 -6.801 1.00 0.00 C ATOM 813 CG GLN A 52 4.826 2.300 -8.137 1.00 0.00 C ATOM 814 CD GLN A 52 3.850 3.362 -8.619 1.00 0.00 C ATOM 815 OE1 GLN A 52 4.197 4.203 -9.448 1.00 0.00 O ATOM 816 NE2 GLN A 52 2.622 3.334 -8.106 1.00 0.00 N ATOM 0 H GLN A 52 5.774 -0.403 -6.988 1.00 0.00 H new ATOM 0 HA GLN A 52 3.157 0.147 -6.040 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.738 2.350 -6.295 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.323 1.612 -6.172 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.818 2.742 -8.048 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.894 1.512 -8.887 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.372 2.621 -7.421 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.931 4.025 -8.398 1.00 0.00 H new ATOM 825 N ASP A 53 3.587 -0.083 -9.290 1.00 0.00 N ATOM 826 CA ASP A 53 2.901 -0.244 -10.559 1.00 0.00 C ATOM 827 C ASP A 53 2.058 -1.509 -10.531 1.00 0.00 C ATOM 828 O ASP A 53 0.992 -1.575 -11.139 1.00 0.00 O ATOM 829 CB ASP A 53 3.907 -0.309 -11.709 1.00 0.00 C ATOM 830 CG ASP A 53 3.265 -0.044 -13.057 1.00 0.00 C ATOM 831 OD1 ASP A 53 2.822 1.101 -13.287 1.00 0.00 O ATOM 832 OD2 ASP A 53 3.206 -0.979 -13.881 1.00 0.00 O ATOM 0 H ASP A 53 4.600 -0.192 -9.346 1.00 0.00 H new ATOM 0 HA ASP A 53 2.252 0.617 -10.718 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.698 0.421 -11.537 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.377 -1.292 -11.721 1.00 0.00 H new ATOM 837 N PHE A 54 2.566 -2.520 -9.833 1.00 0.00 N ATOM 838 CA PHE A 54 1.895 -3.800 -9.728 1.00 0.00 C ATOM 839 C PHE A 54 0.519 -3.656 -9.092 1.00 0.00 C ATOM 840 O PHE A 54 -0.482 -4.108 -9.648 1.00 0.00 O ATOM 841 CB PHE A 54 2.754 -4.736 -8.883 1.00 0.00 C ATOM 842 CG PHE A 54 3.236 -5.946 -9.623 1.00 0.00 C ATOM 843 CD1 PHE A 54 2.410 -7.041 -9.795 1.00 0.00 C ATOM 844 CD2 PHE A 54 4.518 -5.986 -10.142 1.00 0.00 C ATOM 845 CE1 PHE A 54 2.852 -8.158 -10.474 1.00 0.00 C ATOM 846 CE2 PHE A 54 4.969 -7.098 -10.824 1.00 0.00 C ATOM 847 CZ PHE A 54 4.135 -8.188 -10.990 1.00 0.00 C ATOM 0 H PHE A 54 3.451 -2.470 -9.328 1.00 0.00 H new ATOM 0 HA PHE A 54 1.759 -4.206 -10.730 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.616 -4.184 -8.508 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.179 -5.058 -8.015 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.408 -7.022 -9.393 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.173 -5.137 -10.012 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.197 -9.007 -10.602 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.971 -7.117 -11.227 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.484 -9.061 -11.521 1.00 0.00 H new ATOM 857 N LEU A 55 0.470 -3.001 -7.939 1.00 0.00 N ATOM 858 CA LEU A 55 -0.793 -2.775 -7.252 1.00 0.00 C ATOM 859 C LEU A 55 -1.582 -1.695 -7.969 1.00 0.00 C ATOM 860 O LEU A 55 -2.809 -1.735 -8.034 1.00 0.00 O ATOM 861 CB LEU A 55 -0.562 -2.374 -5.801 1.00 0.00 C ATOM 862 CG LEU A 55 0.661 -1.505 -5.563 1.00 0.00 C ATOM 863 CD1 LEU A 55 0.274 -0.041 -5.631 1.00 0.00 C ATOM 864 CD2 LEU A 55 1.292 -1.842 -4.224 1.00 0.00 C ATOM 0 H LEU A 55 1.287 -2.619 -7.462 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.360 -3.706 -7.261 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.443 -1.842 -5.442 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.469 -3.279 -5.200 1.00 0.00 H new ATOM 0 HG LEU A 55 1.398 -1.701 -6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.156 0.577 -5.459 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.139 0.181 -6.615 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.474 0.174 -4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.167 -1.212 -4.066 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.570 -1.666 -3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.593 -2.890 -4.217 1.00 0.00 H new ATOM 876 N THR A 56 -0.848 -0.729 -8.507 1.00 0.00 N ATOM 877 CA THR A 56 -1.437 0.379 -9.233 1.00 0.00 C ATOM 878 C THR A 56 -2.209 -0.151 -10.431 1.00 0.00 C ATOM 879 O THR A 56 -3.300 0.325 -10.747 1.00 0.00 O ATOM 880 CB THR A 56 -0.326 1.340 -9.667 1.00 0.00 C ATOM 881 OG1 THR A 56 -0.203 2.413 -8.754 1.00 0.00 O ATOM 882 CG2 THR A 56 -0.506 1.924 -11.050 1.00 0.00 C ATOM 0 H THR A 56 0.170 -0.695 -8.450 1.00 0.00 H new ATOM 0 HA THR A 56 -2.135 0.922 -8.595 1.00 0.00 H new ATOM 0 HB THR A 56 0.574 0.725 -9.684 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.309 2.120 -7.971 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.326 2.592 -11.274 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.533 1.119 -11.784 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.441 2.483 -11.090 1.00 0.00 H new ATOM 890 N LYS A 57 -1.646 -1.170 -11.068 1.00 0.00 N ATOM 891 CA LYS A 57 -2.283 -1.807 -12.203 1.00 0.00 C ATOM 892 C LYS A 57 -3.406 -2.696 -11.697 1.00 0.00 C ATOM 893 O LYS A 57 -4.452 -2.829 -12.333 1.00 0.00 O ATOM 894 CB LYS A 57 -1.271 -2.632 -13.000 1.00 0.00 C ATOM 895 CG LYS A 57 -1.534 -2.640 -14.498 1.00 0.00 C ATOM 896 CD LYS A 57 -1.209 -1.295 -15.129 1.00 0.00 C ATOM 897 CE LYS A 57 0.289 -1.114 -15.315 1.00 0.00 C ATOM 898 NZ LYS A 57 0.627 0.247 -15.815 1.00 0.00 N ATOM 0 H LYS A 57 -0.744 -1.572 -10.812 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.687 -1.043 -12.867 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.271 -2.239 -12.818 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.282 -3.658 -12.633 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.934 -3.418 -14.969 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.579 -2.887 -14.683 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.709 -1.215 -16.094 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.598 -0.494 -14.501 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.796 -1.288 -14.366 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.660 -1.861 -16.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.658 0.329 -15.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.164 0.404 -16.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.296 0.959 -15.134 1.00 0.00 H new ATOM 912 N HIS A 58 -3.178 -3.288 -10.525 1.00 0.00 N ATOM 913 CA HIS A 58 -4.164 -4.152 -9.898 1.00 0.00 C ATOM 914 C HIS A 58 -5.410 -3.351 -9.542 1.00 0.00 C ATOM 915 O HIS A 58 -6.523 -3.876 -9.553 1.00 0.00 O ATOM 916 CB HIS A 58 -3.582 -4.796 -8.640 1.00 0.00 C ATOM 917 CG HIS A 58 -4.241 -6.090 -8.273 1.00 0.00 C ATOM 918 ND1 HIS A 58 -3.993 -7.274 -8.933 1.00 0.00 N ATOM 919 CD2 HIS A 58 -5.144 -6.381 -7.307 1.00 0.00 C ATOM 920 CE1 HIS A 58 -4.716 -8.238 -8.391 1.00 0.00 C ATOM 921 NE2 HIS A 58 -5.423 -7.722 -7.402 1.00 0.00 N ATOM 0 H HIS A 58 -2.314 -3.181 -9.993 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.436 -4.939 -10.602 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.516 -4.970 -8.790 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.678 -4.099 -7.807 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -3.351 -7.388 -9.718 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.566 -5.688 -6.595 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -4.727 -9.272 -8.703 1.00 0.00 H new ATOM 983 N GLY A 63 -7.935 3.196 -5.886 1.00 0.00 N ATOM 984 CA GLY A 63 -6.518 2.945 -5.700 1.00 0.00 C ATOM 985 C GLY A 63 -6.242 2.002 -4.545 1.00 0.00 C ATOM 986 O GLY A 63 -7.154 1.356 -4.035 1.00 0.00 O ATOM 0 HA2 GLY A 63 -6.104 2.524 -6.616 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.005 3.890 -5.524 1.00 0.00 H new ATOM 990 N SER A 64 -4.980 1.929 -4.132 1.00 0.00 N ATOM 991 CA SER A 64 -4.577 1.062 -3.029 1.00 0.00 C ATOM 992 C SER A 64 -3.951 1.880 -1.904 1.00 0.00 C ATOM 993 O SER A 64 -3.551 3.026 -2.112 1.00 0.00 O ATOM 994 CB SER A 64 -3.588 0.003 -3.518 1.00 0.00 C ATOM 995 OG SER A 64 -2.267 0.511 -3.541 1.00 0.00 O ATOM 0 H SER A 64 -4.216 2.462 -4.547 1.00 0.00 H new ATOM 0 HA SER A 64 -5.467 0.563 -2.644 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.634 -0.870 -2.867 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.871 -0.329 -4.517 1.00 0.00 H new ATOM 0 HG SER A 64 -1.648 -0.172 -3.209 1.00 0.00 H new ATOM 1001 N TRP A 65 -3.860 1.292 -0.713 1.00 0.00 N ATOM 1002 CA TRP A 65 -3.273 1.990 0.427 1.00 0.00 C ATOM 1003 C TRP A 65 -1.891 1.445 0.730 1.00 0.00 C ATOM 1004 O TRP A 65 -1.686 0.234 0.781 1.00 0.00 O ATOM 1005 CB TRP A 65 -4.169 1.877 1.662 1.00 0.00 C ATOM 1006 CG TRP A 65 -5.290 2.872 1.667 1.00 0.00 C ATOM 1007 CD1 TRP A 65 -5.177 4.230 1.745 1.00 0.00 C ATOM 1008 CD2 TRP A 65 -6.691 2.589 1.585 1.00 0.00 C ATOM 1009 NE1 TRP A 65 -6.422 4.809 1.717 1.00 0.00 N ATOM 1010 CE2 TRP A 65 -7.368 3.822 1.618 1.00 0.00 C ATOM 1011 CE3 TRP A 65 -7.439 1.413 1.486 1.00 0.00 C ATOM 1012 CZ2 TRP A 65 -8.756 3.911 1.556 1.00 0.00 C ATOM 1013 CZ3 TRP A 65 -8.817 1.504 1.425 1.00 0.00 C ATOM 1014 CH2 TRP A 65 -9.463 2.745 1.458 1.00 0.00 C ATOM 0 H TRP A 65 -4.181 0.345 -0.514 1.00 0.00 H new ATOM 0 HA TRP A 65 -3.185 3.044 0.165 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.584 0.870 1.712 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -3.563 2.016 2.557 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.245 4.770 1.818 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.612 5.810 1.762 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.950 0.451 1.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.257 4.868 1.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -9.405 0.601 1.351 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.541 2.782 1.405 1.00 0.00 H new ATOM 1025 N ILE A 66 -0.941 2.352 0.915 1.00 0.00 N ATOM 1026 CA ILE A 66 0.432 1.972 1.195 1.00 0.00 C ATOM 1027 C ILE A 66 0.849 2.377 2.599 1.00 0.00 C ATOM 1028 O ILE A 66 0.164 3.147 3.268 1.00 0.00 O ATOM 1029 CB ILE A 66 1.398 2.589 0.171 1.00 0.00 C ATOM 1030 CG1 ILE A 66 1.682 4.055 0.512 1.00 0.00 C ATOM 1031 CG2 ILE A 66 0.813 2.464 -1.227 1.00 0.00 C ATOM 1032 CD1 ILE A 66 2.129 4.880 -0.673 1.00 0.00 C ATOM 0 H ILE A 66 -1.100 3.359 0.875 1.00 0.00 H new ATOM 0 HA ILE A 66 0.482 0.886 1.119 1.00 0.00 H new ATOM 0 HB ILE A 66 2.344 2.048 0.206 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.782 4.501 0.935 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.451 4.097 1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.501 2.903 -1.950 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.660 1.411 -1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.142 2.988 -1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.311 5.906 -0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.047 4.459 -1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.352 4.870 -1.437 1.00 0.00 H new ATOM 1044 N GLY A 67 1.977 1.834 3.034 1.00 0.00 N ATOM 1045 CA GLY A 67 2.492 2.121 4.356 1.00 0.00 C ATOM 1046 C GLY A 67 3.140 3.483 4.461 1.00 0.00 C ATOM 1047 O GLY A 67 4.296 3.597 4.867 1.00 0.00 O ATOM 0 H GLY A 67 2.550 1.192 2.487 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.678 2.057 5.078 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.220 1.357 4.629 1.00 0.00 H new ATOM 1051 N LEU A 68 2.398 4.521 4.099 1.00 0.00 N ATOM 1052 CA LEU A 68 2.920 5.879 4.164 1.00 0.00 C ATOM 1053 C LEU A 68 2.038 6.789 5.015 1.00 0.00 C ATOM 1054 O LEU A 68 0.839 6.925 4.772 1.00 0.00 O ATOM 1055 CB LEU A 68 3.054 6.469 2.758 1.00 0.00 C ATOM 1056 CG LEU A 68 4.031 7.644 2.630 1.00 0.00 C ATOM 1057 CD1 LEU A 68 3.480 8.887 3.314 1.00 0.00 C ATOM 1058 CD2 LEU A 68 5.386 7.278 3.206 1.00 0.00 C ATOM 0 H LEU A 68 1.439 4.450 3.759 1.00 0.00 H new ATOM 0 HA LEU A 68 3.902 5.822 4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.372 5.678 2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.070 6.798 2.425 1.00 0.00 H new ATOM 0 HG LEU A 68 4.154 7.866 1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.192 9.706 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.533 9.167 2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.320 8.679 4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.065 8.125 3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.277 7.024 4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.791 6.422 2.667 1.00 0.00 H new ATOM 1070 N ARG A 69 2.666 7.432 5.991 1.00 0.00 N ATOM 1071 CA ARG A 69 1.991 8.371 6.876 1.00 0.00 C ATOM 1072 C ARG A 69 2.896 9.574 7.137 1.00 0.00 C ATOM 1073 O ARG A 69 4.009 9.419 7.636 1.00 0.00 O ATOM 1074 CB ARG A 69 1.613 7.684 8.192 1.00 0.00 C ATOM 1075 CG ARG A 69 1.497 8.633 9.376 1.00 0.00 C ATOM 1076 CD ARG A 69 2.655 8.459 10.345 1.00 0.00 C ATOM 1077 NE ARG A 69 2.196 8.170 11.700 1.00 0.00 N ATOM 1078 CZ ARG A 69 3.010 8.041 12.743 1.00 0.00 C ATOM 1079 NH1 ARG A 69 4.320 8.175 12.587 1.00 0.00 N ATOM 1080 NH2 ARG A 69 2.514 7.779 13.945 1.00 0.00 N ATOM 0 H ARG A 69 3.659 7.317 6.191 1.00 0.00 H new ATOM 0 HA ARG A 69 1.075 8.717 6.398 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.663 7.167 8.060 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.360 6.924 8.421 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.473 9.662 9.018 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.556 8.454 9.896 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.298 7.649 10.000 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.260 9.365 10.353 1.00 0.00 H new ATOM 0 HE ARG A 69 1.194 8.061 11.855 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.706 8.378 11.665 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.942 8.075 13.389 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.507 7.676 14.070 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.140 7.680 14.744 1.00 0.00 H new ATOM 1094 N ASN A 70 2.426 10.770 6.804 1.00 0.00 N ATOM 1095 CA ASN A 70 3.223 11.972 7.015 1.00 0.00 C ATOM 1096 C ASN A 70 3.405 12.247 8.503 1.00 0.00 C ATOM 1097 O ASN A 70 2.562 11.880 9.321 1.00 0.00 O ATOM 1098 CB ASN A 70 2.569 13.177 6.344 1.00 0.00 C ATOM 1099 CG ASN A 70 3.162 13.483 4.987 1.00 0.00 C ATOM 1100 OD1 ASN A 70 3.098 12.668 4.067 1.00 0.00 O ATOM 1101 ND2 ASN A 70 3.744 14.670 4.860 1.00 0.00 N ATOM 0 H ASN A 70 1.508 10.933 6.391 1.00 0.00 H new ATOM 0 HA ASN A 70 4.202 11.806 6.566 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.500 12.992 6.235 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.677 14.050 6.988 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.163 14.940 3.970 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.772 15.312 5.652 1.00 0.00 H new ATOM 1202 N PHE A 77 7.413 12.618 4.943 1.00 0.00 N ATOM 1203 CA PHE A 77 6.577 11.425 4.913 1.00 0.00 C ATOM 1204 C PHE A 77 7.310 10.259 5.563 1.00 0.00 C ATOM 1205 O PHE A 77 8.458 9.968 5.228 1.00 0.00 O ATOM 1206 CB PHE A 77 6.189 11.048 3.472 1.00 0.00 C ATOM 1207 CG PHE A 77 5.839 12.205 2.562 1.00 0.00 C ATOM 1208 CD1 PHE A 77 5.825 13.514 3.023 1.00 0.00 C ATOM 1209 CD2 PHE A 77 5.530 11.970 1.231 1.00 0.00 C ATOM 1210 CE1 PHE A 77 5.511 14.561 2.178 1.00 0.00 C ATOM 1211 CE2 PHE A 77 5.217 13.016 0.383 1.00 0.00 C ATOM 1212 CZ PHE A 77 5.208 14.312 0.857 1.00 0.00 C ATOM 0 HA PHE A 77 5.665 11.643 5.468 1.00 0.00 H new ATOM 0 HB2 PHE A 77 7.016 10.496 3.025 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.337 10.370 3.511 1.00 0.00 H new ATOM 0 HD1 PHE A 77 6.063 13.717 4.057 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.534 10.959 0.852 1.00 0.00 H new ATOM 0 HE1 PHE A 77 5.503 15.574 2.553 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.979 12.819 -0.652 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.964 15.129 0.194 1.00 0.00 H new ATOM 1222 N ILE A 78 6.646 9.607 6.503 1.00 0.00 N ATOM 1223 CA ILE A 78 7.226 8.484 7.217 1.00 0.00 C ATOM 1224 C ILE A 78 6.388 7.223 7.032 1.00 0.00 C ATOM 1225 O ILE A 78 5.163 7.280 7.016 1.00 0.00 O ATOM 1226 CB ILE A 78 7.364 8.814 8.714 1.00 0.00 C ATOM 1227 CG1 ILE A 78 8.821 9.191 9.024 1.00 0.00 C ATOM 1228 CG2 ILE A 78 6.878 7.655 9.579 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.509 8.294 10.035 1.00 0.00 C ATOM 0 H ILE A 78 5.696 9.840 6.791 1.00 0.00 H new ATOM 0 HA ILE A 78 8.217 8.298 6.802 1.00 0.00 H new ATOM 0 HB ILE A 78 6.731 9.668 8.953 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.392 9.173 8.095 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.846 10.216 9.393 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.987 7.916 10.632 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.829 7.454 9.362 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.470 6.766 9.362 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.532 8.637 10.189 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.968 8.329 10.980 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.522 7.270 9.663 1.00 0.00 H new ATOM 1241 N TRP A 79 7.056 6.086 6.894 1.00 0.00 N ATOM 1242 CA TRP A 79 6.362 4.817 6.708 1.00 0.00 C ATOM 1243 C TRP A 79 5.745 4.346 8.020 1.00 0.00 C ATOM 1244 O TRP A 79 6.229 4.681 9.101 1.00 0.00 O ATOM 1245 CB TRP A 79 7.325 3.745 6.187 1.00 0.00 C ATOM 1246 CG TRP A 79 7.905 4.040 4.834 1.00 0.00 C ATOM 1247 CD1 TRP A 79 7.751 5.180 4.099 1.00 0.00 C ATOM 1248 CD2 TRP A 79 8.741 3.173 4.055 1.00 0.00 C ATOM 1249 NE1 TRP A 79 8.436 5.075 2.912 1.00 0.00 N ATOM 1250 CE2 TRP A 79 9.052 3.852 2.863 1.00 0.00 C ATOM 1251 CE3 TRP A 79 9.256 1.888 4.253 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 9.853 3.290 1.872 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 10.051 1.332 3.269 1.00 0.00 C ATOM 1254 CH2 TRP A 79 10.343 2.032 2.092 1.00 0.00 C ATOM 0 H TRP A 79 8.073 6.015 6.907 1.00 0.00 H new ATOM 0 HA TRP A 79 5.571 4.973 5.975 1.00 0.00 H new ATOM 0 HB2 TRP A 79 8.140 3.628 6.901 1.00 0.00 H new ATOM 0 HB3 TRP A 79 6.799 2.791 6.144 1.00 0.00 H new ATOM 0 HD1 TRP A 79 7.174 6.040 4.406 1.00 0.00 H new ATOM 0 HE1 TRP A 79 8.479 5.790 2.186 1.00 0.00 H new ATOM 0 HE3 TRP A 79 9.037 1.341 5.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 10.079 3.828 0.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 10.454 0.340 3.410 1.00 0.00 H new ATOM 0 HH2 TRP A 79 10.968 1.569 1.343 1.00 0.00 H new ATOM 1265 N VAL A 80 4.675 3.565 7.916 1.00 0.00 N ATOM 1266 CA VAL A 80 3.989 3.035 9.091 1.00 0.00 C ATOM 1267 C VAL A 80 4.940 2.177 9.919 1.00 0.00 C ATOM 1268 O VAL A 80 4.776 2.036 11.132 1.00 0.00 O ATOM 1269 CB VAL A 80 2.757 2.197 8.685 1.00 0.00 C ATOM 1270 CG1 VAL A 80 3.042 1.426 7.410 1.00 0.00 C ATOM 1271 CG2 VAL A 80 2.334 1.254 9.804 1.00 0.00 C ATOM 0 H VAL A 80 4.262 3.284 7.027 1.00 0.00 H new ATOM 0 HA VAL A 80 3.652 3.881 9.689 1.00 0.00 H new ATOM 0 HB VAL A 80 1.929 2.881 8.501 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.165 0.840 7.136 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.277 2.125 6.607 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.889 0.759 7.570 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.464 0.679 9.486 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.154 0.574 10.036 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.081 1.833 10.692 1.00 0.00 H new ATOM 1281 N ASP A 81 5.939 1.611 9.251 1.00 0.00 N ATOM 1282 CA ASP A 81 6.925 0.768 9.914 1.00 0.00 C ATOM 1283 C ASP A 81 7.935 1.619 10.675 1.00 0.00 C ATOM 1284 O ASP A 81 8.805 1.095 11.373 1.00 0.00 O ATOM 1285 CB ASP A 81 7.647 -0.109 8.890 1.00 0.00 C ATOM 1286 CG ASP A 81 8.324 -1.306 9.529 1.00 0.00 C ATOM 1287 OD1 ASP A 81 7.623 -2.101 10.189 1.00 0.00 O ATOM 1288 OD2 ASP A 81 9.554 -1.449 9.366 1.00 0.00 O ATOM 0 H ASP A 81 6.087 1.722 8.248 1.00 0.00 H new ATOM 0 HA ASP A 81 6.404 0.127 10.625 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.932 -0.455 8.144 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.392 0.489 8.365 1.00 0.00 H new ATOM 1293 N GLY A 82 7.805 2.933 10.539 1.00 0.00 N ATOM 1294 CA GLY A 82 8.702 3.843 11.220 1.00 0.00 C ATOM 1295 C GLY A 82 9.991 4.080 10.458 1.00 0.00 C ATOM 1296 O GLY A 82 11.070 4.120 11.050 1.00 0.00 O ATOM 0 H GLY A 82 7.091 3.384 9.967 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.196 4.796 11.374 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.937 3.443 12.207 1.00 0.00 H new ATOM 1300 N SER A 83 9.884 4.237 9.141 1.00 0.00 N ATOM 1301 CA SER A 83 11.057 4.471 8.307 1.00 0.00 C ATOM 1302 C SER A 83 10.779 5.530 7.245 1.00 0.00 C ATOM 1303 O SER A 83 9.840 5.405 6.464 1.00 0.00 O ATOM 1304 CB SER A 83 11.501 3.168 7.639 1.00 0.00 C ATOM 1305 OG SER A 83 11.625 2.124 8.589 1.00 0.00 O ATOM 0 H SER A 83 9.001 4.206 8.631 1.00 0.00 H new ATOM 0 HA SER A 83 11.857 4.836 8.951 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.779 2.884 6.874 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.456 3.321 7.135 1.00 0.00 H new ATOM 0 HG SER A 83 11.908 1.302 8.137 1.00 0.00 H new ATOM 1311 N HIS A 84 11.605 6.573 7.219 1.00 0.00 N ATOM 1312 CA HIS A 84 11.450 7.651 6.253 1.00 0.00 C ATOM 1313 C HIS A 84 11.440 7.109 4.827 1.00 0.00 C ATOM 1314 O HIS A 84 12.051 6.080 4.536 1.00 0.00 O ATOM 1315 CB HIS A 84 12.579 8.671 6.415 1.00 0.00 C ATOM 1316 CG HIS A 84 12.927 8.959 7.843 1.00 0.00 C ATOM 1317 ND1 HIS A 84 12.205 9.827 8.634 1.00 0.00 N ATOM 1318 CD2 HIS A 84 13.930 8.489 8.622 1.00 0.00 C ATOM 1319 CE1 HIS A 84 12.749 9.878 9.838 1.00 0.00 C ATOM 1320 NE2 HIS A 84 13.796 9.075 9.856 1.00 0.00 N ATOM 0 H HIS A 84 12.390 6.692 7.859 1.00 0.00 H new ATOM 0 HA HIS A 84 10.495 8.140 6.442 1.00 0.00 H new ATOM 0 HB2 HIS A 84 13.467 8.303 5.901 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.290 9.601 5.926 1.00 0.00 H new ATOM 0 HD2 HIS A 84 14.693 7.784 8.327 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.396 10.475 10.666 1.00 0.00 H new ATOM 0 HE2 HIS A 84 14.407 8.916 10.657 1.00 0.00 H new ATOM 1329 N VAL A 85 10.738 7.810 3.943 1.00 0.00 N ATOM 1330 CA VAL A 85 10.635 7.409 2.544 1.00 0.00 C ATOM 1331 C VAL A 85 12.002 7.406 1.865 1.00 0.00 C ATOM 1332 O VAL A 85 12.943 8.045 2.337 1.00 0.00 O ATOM 1333 CB VAL A 85 9.686 8.341 1.765 1.00 0.00 C ATOM 1334 CG1 VAL A 85 9.364 7.761 0.398 1.00 0.00 C ATOM 1335 CG2 VAL A 85 8.414 8.584 2.557 1.00 0.00 C ATOM 0 H VAL A 85 10.229 8.664 4.172 1.00 0.00 H new ATOM 0 HA VAL A 85 10.231 6.397 2.534 1.00 0.00 H new ATOM 0 HB VAL A 85 10.188 9.297 1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.693 8.435 -0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.285 7.641 -0.172 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.883 6.790 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.755 9.244 1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.910 7.634 2.736 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.663 9.049 3.511 1.00 0.00 H new ATOM 1345 N ASP A 86 12.104 6.679 0.755 1.00 0.00 N ATOM 1346 CA ASP A 86 13.356 6.589 0.010 1.00 0.00 C ATOM 1347 C ASP A 86 13.165 7.013 -1.445 1.00 0.00 C ATOM 1348 O ASP A 86 13.658 8.060 -1.865 1.00 0.00 O ATOM 1349 CB ASP A 86 13.904 5.162 0.067 1.00 0.00 C ATOM 1350 CG ASP A 86 14.443 4.804 1.439 1.00 0.00 C ATOM 1351 OD1 ASP A 86 13.694 4.952 2.427 1.00 0.00 O ATOM 1352 OD2 ASP A 86 15.613 4.376 1.524 1.00 0.00 O ATOM 0 H ASP A 86 11.335 6.144 0.352 1.00 0.00 H new ATOM 0 HA ASP A 86 14.071 7.269 0.474 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.114 4.461 -0.204 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.697 5.050 -0.672 1.00 0.00 H new ATOM 1357 N TYR A 87 12.455 6.189 -2.212 1.00 0.00 N ATOM 1358 CA TYR A 87 12.208 6.476 -3.622 1.00 0.00 C ATOM 1359 C TYR A 87 10.990 7.376 -3.802 1.00 0.00 C ATOM 1360 O TYR A 87 11.023 8.332 -4.577 1.00 0.00 O ATOM 1361 CB TYR A 87 12.015 5.175 -4.404 1.00 0.00 C ATOM 1362 CG TYR A 87 13.250 4.304 -4.444 1.00 0.00 C ATOM 1363 CD1 TYR A 87 14.200 4.460 -5.446 1.00 0.00 C ATOM 1364 CD2 TYR A 87 13.467 3.327 -3.481 1.00 0.00 C ATOM 1365 CE1 TYR A 87 15.331 3.666 -5.486 1.00 0.00 C ATOM 1366 CE2 TYR A 87 14.596 2.530 -3.514 1.00 0.00 C ATOM 1367 CZ TYR A 87 15.524 2.703 -4.519 1.00 0.00 C ATOM 1368 OH TYR A 87 16.648 1.911 -4.555 1.00 0.00 O ATOM 0 H TYR A 87 12.041 5.318 -1.881 1.00 0.00 H new ATOM 0 HA TYR A 87 13.080 7.003 -4.010 1.00 0.00 H new ATOM 0 HB2 TYR A 87 11.197 4.610 -3.957 1.00 0.00 H new ATOM 0 HB3 TYR A 87 11.717 5.415 -5.425 1.00 0.00 H new ATOM 0 HD1 TYR A 87 14.052 5.213 -6.206 1.00 0.00 H new ATOM 0 HD2 TYR A 87 12.742 3.188 -2.693 1.00 0.00 H new ATOM 0 HE1 TYR A 87 16.060 3.800 -6.271 1.00 0.00 H new ATOM 0 HE2 TYR A 87 14.750 1.776 -2.757 1.00 0.00 H new ATOM 0 HH TYR A 87 16.631 1.285 -3.801 1.00 0.00 H new ATOM 1378 N SER A 88 9.919 7.061 -3.079 1.00 0.00 N ATOM 1379 CA SER A 88 8.678 7.833 -3.149 1.00 0.00 C ATOM 1380 C SER A 88 8.118 7.853 -4.570 1.00 0.00 C ATOM 1381 O SER A 88 8.795 7.459 -5.519 1.00 0.00 O ATOM 1382 CB SER A 88 8.903 9.263 -2.654 1.00 0.00 C ATOM 1383 OG SER A 88 10.249 9.470 -2.261 1.00 0.00 O ATOM 0 H SER A 88 9.884 6.272 -2.434 1.00 0.00 H new ATOM 0 HA SER A 88 7.949 7.346 -2.501 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.641 9.968 -3.443 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.241 9.466 -1.812 1.00 0.00 H new ATOM 0 HG SER A 88 10.361 10.393 -1.951 1.00 0.00 H new ATOM 1389 N ASN A 89 6.871 8.303 -4.709 1.00 0.00 N ATOM 1390 CA ASN A 89 6.229 8.354 -6.019 1.00 0.00 C ATOM 1391 C ASN A 89 5.305 9.567 -6.173 1.00 0.00 C ATOM 1392 O ASN A 89 4.989 9.951 -7.299 1.00 0.00 O ATOM 1393 CB ASN A 89 5.422 7.081 -6.255 1.00 0.00 C ATOM 1394 CG ASN A 89 6.278 5.891 -6.642 1.00 0.00 C ATOM 1395 OD1 ASN A 89 7.391 6.044 -7.142 1.00 0.00 O ATOM 1396 ND2 ASN A 89 5.748 4.693 -6.417 1.00 0.00 N ATOM 0 H ASN A 89 6.291 8.634 -3.938 1.00 0.00 H new ATOM 0 HA ASN A 89 7.025 8.444 -6.758 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.864 6.840 -5.350 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.690 7.264 -7.041 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.269 3.851 -6.662 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.820 4.616 -6.000 1.00 0.00 H new ATOM 1598 N CYS A 104 -1.505 11.042 4.282 1.00 0.00 N ATOM 1599 CA CYS A 104 -1.462 9.685 3.758 1.00 0.00 C ATOM 1600 C CYS A 104 -1.252 9.698 2.248 1.00 0.00 C ATOM 1601 O CYS A 104 -1.667 10.631 1.560 1.00 0.00 O ATOM 1602 CB CYS A 104 -2.754 8.935 4.097 1.00 0.00 C ATOM 1603 SG CYS A 104 -3.736 9.691 5.434 1.00 0.00 S ATOM 0 HA CYS A 104 -0.623 9.170 4.225 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -3.370 8.874 3.200 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -2.503 7.913 4.381 1.00 0.00 H new ATOM 0 HG CYS A 104 -3.248 10.861 5.722 1.00 0.00 H new ATOM 1608 N VAL A 105 -0.606 8.660 1.738 1.00 0.00 N ATOM 1609 CA VAL A 105 -0.345 8.555 0.312 1.00 0.00 C ATOM 1610 C VAL A 105 -1.197 7.465 -0.325 1.00 0.00 C ATOM 1611 O VAL A 105 -1.422 6.406 0.261 1.00 0.00 O ATOM 1612 CB VAL A 105 1.140 8.269 0.025 1.00 0.00 C ATOM 1613 CG1 VAL A 105 1.345 7.920 -1.439 1.00 0.00 C ATOM 1614 CG2 VAL A 105 1.989 9.469 0.401 1.00 0.00 C ATOM 0 H VAL A 105 -0.253 7.879 2.291 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.607 9.518 -0.125 1.00 0.00 H new ATOM 0 HB VAL A 105 1.449 7.416 0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.401 7.721 -1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.761 7.034 -1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.020 8.754 -2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 105 3.037 9.253 0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.674 10.334 -0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.867 9.683 1.463 1.00 0.00 H new ATOM 1624 N MET A 106 -1.662 7.743 -1.532 1.00 0.00 N ATOM 1625 CA MET A 106 -2.491 6.810 -2.281 1.00 0.00 C ATOM 1626 C MET A 106 -2.094 6.829 -3.752 1.00 0.00 C ATOM 1627 O MET A 106 -1.366 7.716 -4.184 1.00 0.00 O ATOM 1628 CB MET A 106 -3.968 7.178 -2.129 1.00 0.00 C ATOM 1629 CG MET A 106 -4.338 8.495 -2.790 1.00 0.00 C ATOM 1630 SD MET A 106 -5.117 9.650 -1.646 1.00 0.00 S ATOM 1631 CE MET A 106 -3.681 10.332 -0.822 1.00 0.00 C ATOM 0 H MET A 106 -1.477 8.619 -2.020 1.00 0.00 H new ATOM 0 HA MET A 106 -2.339 5.806 -1.886 1.00 0.00 H new ATOM 0 HB2 MET A 106 -4.578 6.382 -2.557 1.00 0.00 H new ATOM 0 HB3 MET A 106 -4.213 7.232 -1.068 1.00 0.00 H new ATOM 0 HG2 MET A 106 -3.441 8.952 -3.208 1.00 0.00 H new ATOM 0 HG3 MET A 106 -5.015 8.302 -3.623 1.00 0.00 H new ATOM 0 HE1 MET A 106 -3.997 10.884 0.063 1.00 0.00 H new ATOM 0 HE2 MET A 106 -3.013 9.523 -0.526 1.00 0.00 H new ATOM 0 HE3 MET A 106 -3.157 11.005 -1.501 1.00 0.00 H new ATOM 1641 N MET A 107 -2.570 5.863 -4.522 1.00 0.00 N ATOM 1642 CA MET A 107 -2.248 5.812 -5.940 1.00 0.00 C ATOM 1643 C MET A 107 -3.521 5.816 -6.774 1.00 0.00 C ATOM 1644 O MET A 107 -4.489 5.123 -6.458 1.00 0.00 O ATOM 1645 CB MET A 107 -1.379 4.584 -6.264 1.00 0.00 C ATOM 1646 CG MET A 107 -2.141 3.291 -6.538 1.00 0.00 C ATOM 1647 SD MET A 107 -3.037 3.268 -8.115 1.00 0.00 S ATOM 1648 CE MET A 107 -2.060 4.378 -9.132 1.00 0.00 C ATOM 0 H MET A 107 -3.175 5.110 -4.193 1.00 0.00 H new ATOM 0 HA MET A 107 -1.671 6.702 -6.193 1.00 0.00 H new ATOM 0 HB2 MET A 107 -0.766 4.815 -7.135 1.00 0.00 H new ATOM 0 HB3 MET A 107 -0.698 4.413 -5.431 1.00 0.00 H new ATOM 0 HG2 MET A 107 -1.437 2.459 -6.522 1.00 0.00 H new ATOM 0 HG3 MET A 107 -2.851 3.124 -5.728 1.00 0.00 H new ATOM 0 HE1 MET A 107 -2.189 4.117 -10.182 1.00 0.00 H new ATOM 0 HE2 MET A 107 -2.389 5.404 -8.970 1.00 0.00 H new ATOM 0 HE3 MET A 107 -1.008 4.287 -8.862 1.00 0.00 H new ATOM 1707 N ARG A 112 0.658 6.260 -10.671 1.00 0.00 N ATOM 1708 CA ARG A 112 1.633 6.529 -9.621 1.00 0.00 C ATOM 1709 C ARG A 112 0.937 6.862 -8.304 1.00 0.00 C ATOM 1710 O ARG A 112 -0.207 6.475 -8.081 1.00 0.00 O ATOM 1711 CB ARG A 112 2.561 7.679 -10.031 1.00 0.00 C ATOM 1712 CG ARG A 112 1.898 8.728 -10.912 1.00 0.00 C ATOM 1713 CD ARG A 112 0.771 9.445 -10.183 1.00 0.00 C ATOM 1714 NE ARG A 112 0.507 10.766 -10.748 1.00 0.00 N ATOM 1715 CZ ARG A 112 -0.714 11.266 -10.915 1.00 0.00 C ATOM 1716 NH1 ARG A 112 -1.779 10.558 -10.564 1.00 0.00 N ATOM 1717 NH2 ARG A 112 -0.870 12.476 -11.435 1.00 0.00 N ATOM 0 HA ARG A 112 2.230 5.628 -9.478 1.00 0.00 H new ATOM 0 HB2 ARG A 112 2.941 8.163 -9.132 1.00 0.00 H new ATOM 0 HB3 ARG A 112 3.421 7.267 -10.559 1.00 0.00 H new ATOM 0 HG2 ARG A 112 2.643 9.455 -11.235 1.00 0.00 H new ATOM 0 HG3 ARG A 112 1.505 8.253 -11.811 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.135 8.841 -10.234 1.00 0.00 H new ATOM 0 HD3 ARG A 112 1.028 9.546 -9.129 1.00 0.00 H new ATOM 0 HE ARG A 112 1.304 11.337 -11.030 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.663 9.627 -10.164 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.714 10.945 -10.694 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.053 13.023 -11.707 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -1.807 12.859 -11.563 1.00 0.00 H new ATOM 1731 N TRP A 113 1.637 7.591 -7.443 1.00 0.00 N ATOM 1732 CA TRP A 113 1.105 7.987 -6.149 1.00 0.00 C ATOM 1733 C TRP A 113 0.765 9.459 -6.125 1.00 0.00 C ATOM 1734 O TRP A 113 1.291 10.254 -6.903 1.00 0.00 O ATOM 1735 CB TRP A 113 2.121 7.805 -5.026 1.00 0.00 C ATOM 1736 CG TRP A 113 2.613 6.424 -4.768 1.00 0.00 C ATOM 1737 CD1 TRP A 113 2.316 5.270 -5.432 1.00 0.00 C ATOM 1738 CD2 TRP A 113 3.532 6.080 -3.738 1.00 0.00 C ATOM 1739 NE1 TRP A 113 3.009 4.223 -4.867 1.00 0.00 N ATOM 1740 CE2 TRP A 113 3.762 4.699 -3.821 1.00 0.00 C ATOM 1741 CE3 TRP A 113 4.182 6.825 -2.753 1.00 0.00 C ATOM 1742 CZ2 TRP A 113 4.624 4.039 -2.946 1.00 0.00 C ATOM 1743 CZ3 TRP A 113 5.036 6.173 -1.885 1.00 0.00 C ATOM 1744 CH2 TRP A 113 5.253 4.791 -1.986 1.00 0.00 C ATOM 0 H TRP A 113 2.585 7.922 -7.623 1.00 0.00 H new ATOM 0 HA TRP A 113 0.230 7.355 -6.000 1.00 0.00 H new ATOM 0 HB2 TRP A 113 2.983 8.435 -5.246 1.00 0.00 H new ATOM 0 HB3 TRP A 113 1.677 8.183 -4.105 1.00 0.00 H new ATOM 0 HD1 TRP A 113 1.641 5.190 -6.271 1.00 0.00 H new ATOM 0 HE1 TRP A 113 2.970 3.251 -5.175 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.021 7.890 -2.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 4.791 2.975 -3.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.545 6.736 -1.117 1.00 0.00 H new ATOM 0 HH2 TRP A 113 5.928 4.309 -1.295 1.00 0.00 H new ATOM 1755 N ASN A 114 -0.055 9.816 -5.159 1.00 0.00 N ATOM 1756 CA ASN A 114 -0.409 11.192 -4.929 1.00 0.00 C ATOM 1757 C ASN A 114 -0.437 11.425 -3.427 1.00 0.00 C ATOM 1758 O ASN A 114 -1.196 10.783 -2.700 1.00 0.00 O ATOM 1759 CB ASN A 114 -1.772 11.513 -5.547 1.00 0.00 C ATOM 1760 CG ASN A 114 -1.750 11.443 -7.061 1.00 0.00 C ATOM 1761 OD1 ASN A 114 -1.953 10.381 -7.648 1.00 0.00 O ATOM 1762 ND2 ASN A 114 -1.505 12.580 -7.702 1.00 0.00 N ATOM 0 H ASN A 114 -0.492 9.158 -4.514 1.00 0.00 H new ATOM 0 HA ASN A 114 0.324 11.848 -5.398 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -2.515 10.814 -5.164 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -2.083 12.510 -5.236 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -1.480 12.595 -8.722 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -1.342 13.438 -7.175 1.00 0.00 H new ATOM 1769 N ASP A 115 0.403 12.337 -2.970 1.00 0.00 N ATOM 1770 CA ASP A 115 0.495 12.655 -1.557 1.00 0.00 C ATOM 1771 C ASP A 115 -0.525 13.722 -1.172 1.00 0.00 C ATOM 1772 O ASP A 115 -0.513 14.829 -1.711 1.00 0.00 O ATOM 1773 CB ASP A 115 1.910 13.128 -1.228 1.00 0.00 C ATOM 1774 CG ASP A 115 2.108 13.347 0.259 1.00 0.00 C ATOM 1775 OD1 ASP A 115 2.271 12.349 0.991 1.00 0.00 O ATOM 1776 OD2 ASP A 115 2.098 14.518 0.692 1.00 0.00 O ATOM 0 H ASP A 115 1.036 12.874 -3.563 1.00 0.00 H new ATOM 0 HA ASP A 115 0.274 11.756 -0.981 1.00 0.00 H new ATOM 0 HB2 ASP A 115 2.630 12.391 -1.584 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.114 14.057 -1.761 1.00 0.00 H new ATOM 1781 N ALA A 116 -1.408 13.380 -0.239 1.00 0.00 N ATOM 1782 CA ALA A 116 -2.436 14.298 0.219 1.00 0.00 C ATOM 1783 C ALA A 116 -2.910 13.921 1.615 1.00 0.00 C ATOM 1784 O ALA A 116 -2.687 12.800 2.066 1.00 0.00 O ATOM 1785 CB ALA A 116 -3.604 14.314 -0.755 1.00 0.00 C ATOM 0 H ALA A 116 -1.429 12.467 0.215 1.00 0.00 H new ATOM 0 HA ALA A 116 -2.008 15.299 0.263 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -4.366 15.007 -0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.255 14.634 -1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.029 13.313 -0.829 1.00 0.00 H new ATOM 1879 N LEU A 122 -10.255 5.722 -1.176 1.00 0.00 N ATOM 1880 CA LEU A 122 -9.873 4.733 -2.177 1.00 0.00 C ATOM 1881 C LEU A 122 -10.858 3.568 -2.183 1.00 0.00 C ATOM 1882 O LEU A 122 -12.026 3.736 -1.831 1.00 0.00 O ATOM 1883 CB LEU A 122 -8.455 4.229 -1.909 1.00 0.00 C ATOM 1884 CG LEU A 122 -7.345 5.232 -2.220 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -7.092 6.136 -1.025 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -6.071 4.510 -2.620 1.00 0.00 C ATOM 0 HA LEU A 122 -9.896 5.208 -3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.380 3.940 -0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -8.287 3.329 -2.500 1.00 0.00 H new ATOM 0 HG LEU A 122 -7.667 5.851 -3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.298 6.843 -1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -8.004 6.682 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -6.792 5.532 -0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -5.292 5.240 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.746 3.866 -1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -6.259 3.905 -3.507 1.00 0.00 H new ATOM 1898 N GLY A 123 -10.390 2.390 -2.587 1.00 0.00 N ATOM 1899 CA GLY A 123 -11.264 1.233 -2.624 1.00 0.00 C ATOM 1900 C GLY A 123 -10.516 -0.083 -2.716 1.00 0.00 C ATOM 1901 O GLY A 123 -11.052 -1.066 -3.229 1.00 0.00 O ATOM 0 H GLY A 123 -9.430 2.218 -2.887 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -11.886 1.227 -1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.936 1.321 -3.478 1.00 0.00 H new ATOM 1905 N ALA A 124 -9.282 -0.117 -2.217 1.00 0.00 N ATOM 1906 CA ALA A 124 -8.492 -1.343 -2.255 1.00 0.00 C ATOM 1907 C ALA A 124 -7.586 -1.469 -1.040 1.00 0.00 C ATOM 1908 O ALA A 124 -6.868 -0.535 -0.682 1.00 0.00 O ATOM 1909 CB ALA A 124 -7.677 -1.419 -3.533 1.00 0.00 C ATOM 0 H ALA A 124 -8.813 0.680 -1.787 1.00 0.00 H new ATOM 0 HA ALA A 124 -9.191 -2.179 -2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.096 -2.341 -3.540 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -8.347 -1.406 -4.393 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -7.002 -0.565 -3.586 1.00 0.00 H new ATOM 1915 N TRP A 125 -7.623 -2.641 -0.418 1.00 0.00 N ATOM 1916 CA TRP A 125 -6.806 -2.916 0.756 1.00 0.00 C ATOM 1917 C TRP A 125 -5.560 -3.697 0.365 1.00 0.00 C ATOM 1918 O TRP A 125 -5.629 -4.895 0.092 1.00 0.00 O ATOM 1919 CB TRP A 125 -7.609 -3.711 1.793 1.00 0.00 C ATOM 1920 CG TRP A 125 -8.768 -2.957 2.378 1.00 0.00 C ATOM 1921 CD1 TRP A 125 -9.289 -1.773 1.940 1.00 0.00 C ATOM 1922 CD2 TRP A 125 -9.551 -3.343 3.514 1.00 0.00 C ATOM 1923 NE1 TRP A 125 -10.345 -1.399 2.734 1.00 0.00 N ATOM 1924 CE2 TRP A 125 -10.526 -2.346 3.707 1.00 0.00 C ATOM 1925 CE3 TRP A 125 -9.522 -4.434 4.387 1.00 0.00 C ATOM 1926 CZ2 TRP A 125 -11.464 -2.409 4.736 1.00 0.00 C ATOM 1927 CZ3 TRP A 125 -10.453 -4.496 5.408 1.00 0.00 C ATOM 1928 CH2 TRP A 125 -11.412 -3.489 5.575 1.00 0.00 C ATOM 0 H TRP A 125 -8.214 -3.420 -0.710 1.00 0.00 H new ATOM 0 HA TRP A 125 -6.506 -1.964 1.193 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -7.981 -4.624 1.327 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -6.942 -4.014 2.600 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -8.924 -1.212 1.092 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -10.904 -0.554 2.618 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -8.786 -5.215 4.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -12.205 -1.634 4.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -10.440 -5.335 6.088 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -12.125 -3.566 6.382 1.00 0.00 H new ATOM 1939 N VAL A 126 -4.418 -3.018 0.341 1.00 0.00 N ATOM 1940 CA VAL A 126 -3.168 -3.660 -0.015 1.00 0.00 C ATOM 1941 C VAL A 126 -2.237 -3.715 1.197 1.00 0.00 C ATOM 1942 O VAL A 126 -2.030 -2.717 1.887 1.00 0.00 O ATOM 1943 CB VAL A 126 -2.483 -2.931 -1.190 1.00 0.00 C ATOM 1944 CG1 VAL A 126 -1.009 -3.236 -1.228 1.00 0.00 C ATOM 1945 CG2 VAL A 126 -3.115 -3.328 -2.507 1.00 0.00 C ATOM 0 H VAL A 126 -4.337 -2.026 0.564 1.00 0.00 H new ATOM 0 HA VAL A 126 -3.388 -4.678 -0.335 1.00 0.00 H new ATOM 0 HB VAL A 126 -2.617 -1.860 -1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -0.550 -2.710 -2.065 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -0.546 -2.910 -0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -0.863 -4.309 -1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -2.617 -2.803 -3.322 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -3.011 -4.403 -2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -4.173 -3.064 -2.497 1.00 0.00 H new ATOM 1955 N CYS A 127 -1.710 -4.903 1.456 1.00 0.00 N ATOM 1956 CA CYS A 127 -0.823 -5.147 2.592 1.00 0.00 C ATOM 1957 C CYS A 127 0.360 -6.001 2.167 1.00 0.00 C ATOM 1958 O CYS A 127 0.354 -6.576 1.085 1.00 0.00 O ATOM 1959 CB CYS A 127 -1.579 -5.841 3.726 1.00 0.00 C ATOM 1960 SG CYS A 127 -3.324 -5.344 3.874 1.00 0.00 S ATOM 0 H CYS A 127 -1.884 -5.730 0.884 1.00 0.00 H new ATOM 0 HA CYS A 127 -0.457 -4.185 2.950 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -1.532 -6.919 3.572 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -1.072 -5.631 4.668 1.00 0.00 H new ATOM 1965 N ASP A 128 1.379 -6.077 3.011 1.00 0.00 N ATOM 1966 CA ASP A 128 2.549 -6.872 2.699 1.00 0.00 C ATOM 1967 C ASP A 128 2.836 -7.855 3.825 1.00 0.00 C ATOM 1968 O ASP A 128 2.645 -7.549 4.999 1.00 0.00 O ATOM 1969 CB ASP A 128 3.758 -5.972 2.466 1.00 0.00 C ATOM 1970 CG ASP A 128 4.315 -5.400 3.755 1.00 0.00 C ATOM 1971 OD1 ASP A 128 3.866 -4.308 4.162 1.00 0.00 O ATOM 1972 OD2 ASP A 128 5.200 -6.044 4.356 1.00 0.00 O ATOM 0 H ASP A 128 1.416 -5.599 3.911 1.00 0.00 H new ATOM 0 HA ASP A 128 2.351 -7.433 1.786 1.00 0.00 H new ATOM 0 HB2 ASP A 128 4.537 -6.540 1.958 1.00 0.00 H new ATOM 0 HB3 ASP A 128 3.476 -5.155 1.802 1.00 0.00 H new ATOM 1977 N ARG A 129 3.299 -9.035 3.450 1.00 0.00 N ATOM 1978 CA ARG A 129 3.619 -10.081 4.408 1.00 0.00 C ATOM 1979 C ARG A 129 4.616 -11.056 3.807 1.00 0.00 C ATOM 1980 O ARG A 129 4.564 -11.346 2.614 1.00 0.00 O ATOM 1981 CB ARG A 129 2.350 -10.821 4.835 1.00 0.00 C ATOM 1982 CG ARG A 129 2.558 -11.756 6.015 1.00 0.00 C ATOM 1983 CD ARG A 129 1.924 -13.115 5.768 1.00 0.00 C ATOM 1984 NE ARG A 129 2.373 -14.112 6.737 1.00 0.00 N ATOM 1985 CZ ARG A 129 1.589 -15.065 7.232 1.00 0.00 C ATOM 1986 NH1 ARG A 129 0.321 -15.150 6.850 1.00 0.00 N ATOM 1987 NH2 ARG A 129 2.072 -15.934 8.108 1.00 0.00 N ATOM 0 H ARG A 129 3.463 -9.295 2.478 1.00 0.00 H new ATOM 0 HA ARG A 129 4.065 -9.619 5.289 1.00 0.00 H new ATOM 0 HB2 ARG A 129 1.583 -10.091 5.092 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.973 -11.396 3.989 1.00 0.00 H new ATOM 0 HG2 ARG A 129 3.625 -11.879 6.199 1.00 0.00 H new ATOM 0 HG3 ARG A 129 2.129 -11.311 6.913 1.00 0.00 H new ATOM 0 HD2 ARG A 129 0.839 -13.023 5.818 1.00 0.00 H new ATOM 0 HD3 ARG A 129 2.169 -13.452 4.761 1.00 0.00 H new ATOM 0 HE ARG A 129 3.343 -14.075 7.052 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -0.054 -14.483 6.175 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -0.278 -15.882 7.231 1.00 0.00 H new ATOM 0 HH21 ARG A 129 3.046 -15.872 8.403 1.00 0.00 H new ATOM 0 HH22 ARG A 129 1.469 -16.665 8.487 1.00 0.00 H new ATOM 2001 N LEU A 130 5.517 -11.565 4.631 1.00 0.00 N ATOM 2002 CA LEU A 130 6.517 -12.512 4.157 1.00 0.00 C ATOM 2003 C LEU A 130 5.863 -13.822 3.735 1.00 0.00 C ATOM 2004 O LEU A 130 4.881 -14.258 4.338 1.00 0.00 O ATOM 2005 CB LEU A 130 7.572 -12.760 5.239 1.00 0.00 C ATOM 2006 CG LEU A 130 8.293 -11.505 5.752 1.00 0.00 C ATOM 2007 CD1 LEU A 130 9.707 -11.849 6.192 1.00 0.00 C ATOM 2008 CD2 LEU A 130 8.318 -10.413 4.686 1.00 0.00 C ATOM 0 H LEU A 130 5.578 -11.342 5.624 1.00 0.00 H new ATOM 0 HA LEU A 130 7.010 -12.083 3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 130 7.093 -13.255 6.084 1.00 0.00 H new ATOM 0 HB3 LEU A 130 8.317 -13.452 4.845 1.00 0.00 H new ATOM 0 HG LEU A 130 7.741 -11.125 6.612 1.00 0.00 H new ATOM 0 HD11 LEU A 130 10.205 -10.949 6.553 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.669 -12.588 6.992 1.00 0.00 H new ATOM 0 HD13 LEU A 130 10.262 -12.257 5.347 1.00 0.00 H new ATOM 0 HD21 LEU A 130 8.834 -9.536 5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 130 8.841 -10.779 3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 130 7.297 -10.143 4.417 1.00 0.00 H new ATOM 2020 N ALA A 131 6.407 -14.436 2.685 1.00 0.00 N ATOM 2021 CA ALA A 131 5.879 -15.693 2.160 1.00 0.00 C ATOM 2022 C ALA A 131 5.502 -16.658 3.279 1.00 0.00 C ATOM 2023 O ALA A 131 6.116 -16.659 4.347 1.00 0.00 O ATOM 2024 CB ALA A 131 6.891 -16.340 1.227 1.00 0.00 C ATOM 0 H ALA A 131 7.218 -14.080 2.179 1.00 0.00 H new ATOM 0 HA ALA A 131 4.972 -15.463 1.602 1.00 0.00 H new ATOM 0 HB1 ALA A 131 6.485 -17.276 0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 131 7.101 -15.667 0.396 1.00 0.00 H new ATOM 0 HB3 ALA A 131 7.813 -16.541 1.773 1.00 0.00 H new