USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 762 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 55 GLN : amide:sc= -0.0419 K(o=-0.042,f=-1.2!) USER MOD Set 1.2: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 29 GLN : amide:sc= -0.791 X(o=-1.2,f=-0.8) USER MOD Set 2.2: A 50 CYS SG : rot 180:sc= -0.459 USER MOD Set 3.1: A 12 GLN : amide:sc= -2.42 K(o=-2.3,f=-4.9!) USER MOD Set 3.2: A 16 SER OG : rot -170:sc= 0.0948 USER MOD Set 4.1: A 15 LYS NZ :NH3+ 170:sc= -0.39 (180deg=-0.683) USER MOD Set 4.2: A 67 GLN : amide:sc= -2.96 K(o=-3.4,f=-5.9) USER MOD Single : A 8 HIS : no HD1:sc= -1.66 X(o=-1.7,f=-1.9) USER MOD Single : A 10 HIS : no HE2:sc= -0.144 K(o=-0.14,f=-3.4!) USER MOD Single : A 17 ASN : amide:sc= 0.748 K(o=0.75,f=-0.58) USER MOD Single : A 23 THR OG1 : rot 79:sc= 0.942 USER MOD Single : A 24 HIS : no HD1:sc= -0.0871 X(o=-0.087,f=-0.4) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 28 THR OG1 : rot -140:sc= -0.219 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.48) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 1.24 K(o=1.2,f=-0.07) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 110:sc= 0.0671 USER MOD Single : A 52 CYS SG : rot 110:sc= -1.28 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0274 USER MOD Single : A 61 LYS NZ :NH3+ -144:sc= -0.0658 (180deg=-0.296) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -142:sc= -0.113 (180deg=-0.737) USER MOD Single : A 74 SER OG : rot -90:sc= -0.989 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.52) USER MOD Single : A 83 GLN : amide:sc= -0.0171 X(o=-0.017,f=0) USER MOD Single : A 88 TYR OH : rot 146:sc= -0.857 USER MOD ----------------------------------------------------------------- ATOM 68 N HIS A 8 -8.069 10.184 10.534 1.00 0.00 N ATOM 69 CA HIS A 8 -7.658 10.302 9.140 1.00 0.00 C ATOM 70 C HIS A 8 -8.630 9.563 8.223 1.00 0.00 C ATOM 71 O HIS A 8 -9.064 8.454 8.532 1.00 0.00 O ATOM 72 CB HIS A 8 -6.244 9.748 8.956 1.00 0.00 C ATOM 73 CG HIS A 8 -5.191 10.553 9.652 1.00 0.00 C ATOM 74 ND1 HIS A 8 -4.685 10.246 10.895 1.00 0.00 N ATOM 75 CD2 HIS A 8 -4.542 11.677 9.251 1.00 0.00 C ATOM 76 CE1 HIS A 8 -3.767 11.171 11.205 1.00 0.00 C ATOM 77 NE2 HIS A 8 -3.642 12.061 10.241 1.00 0.00 N ATOM 0 HA HIS A 8 -7.665 11.358 8.872 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.212 8.724 9.328 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.014 9.707 7.891 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -4.699 12.191 8.314 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.202 11.186 12.126 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.015 12.865 10.224 1.00 0.00 H new ATOM 85 N PRO A 9 -8.990 10.170 7.076 1.00 0.00 N ATOM 86 CA PRO A 9 -9.916 9.561 6.121 1.00 0.00 C ATOM 87 C PRO A 9 -9.241 8.532 5.216 1.00 0.00 C ATOM 88 O PRO A 9 -9.914 7.764 4.529 1.00 0.00 O ATOM 89 CB PRO A 9 -10.390 10.760 5.303 1.00 0.00 C ATOM 90 CG PRO A 9 -9.229 11.693 5.304 1.00 0.00 C ATOM 91 CD PRO A 9 -8.527 11.497 6.624 1.00 0.00 C ATOM 0 HA PRO A 9 -10.714 9.010 6.618 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.663 10.466 4.289 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.271 11.222 5.749 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.558 11.479 4.472 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.560 12.725 5.190 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.443 11.525 6.509 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.792 12.277 7.338 1.00 0.00 H new ATOM 99 N HIS A 10 -7.911 8.524 5.214 1.00 0.00 N ATOM 100 CA HIS A 10 -7.156 7.589 4.386 1.00 0.00 C ATOM 101 C HIS A 10 -6.448 6.540 5.239 1.00 0.00 C ATOM 102 O HIS A 10 -6.475 5.351 4.925 1.00 0.00 O ATOM 103 CB HIS A 10 -6.133 8.344 3.535 1.00 0.00 C ATOM 104 CG HIS A 10 -6.754 9.274 2.538 1.00 0.00 C ATOM 105 ND1 HIS A 10 -6.998 10.607 2.779 1.00 0.00 N ATOM 106 CD2 HIS A 10 -7.180 9.039 1.270 1.00 0.00 C ATOM 107 CE1 HIS A 10 -7.555 11.129 1.677 1.00 0.00 C ATOM 108 NE2 HIS A 10 -7.685 10.218 0.732 1.00 0.00 N ATOM 0 H HIS A 10 -7.335 9.152 5.775 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.862 7.076 3.732 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.476 8.914 4.192 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.508 7.623 3.007 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -6.792 11.109 3.643 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.134 8.088 0.760 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -7.858 12.161 1.576 1.00 0.00 H new ATOM 116 N ILE A 11 -5.809 6.989 6.315 1.00 0.00 N ATOM 117 CA ILE A 11 -5.090 6.085 7.205 1.00 0.00 C ATOM 118 C ILE A 11 -6.049 5.167 7.957 1.00 0.00 C ATOM 119 O ILE A 11 -5.824 3.960 8.050 1.00 0.00 O ATOM 120 CB ILE A 11 -4.232 6.859 8.224 1.00 0.00 C ATOM 121 CG1 ILE A 11 -3.376 7.909 7.513 1.00 0.00 C ATOM 122 CG2 ILE A 11 -3.353 5.900 9.016 1.00 0.00 C ATOM 123 CD1 ILE A 11 -2.499 8.712 8.450 1.00 0.00 C ATOM 0 H ILE A 11 -5.775 7.970 6.591 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.436 5.482 6.575 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.897 7.371 8.920 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.746 7.413 6.775 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.030 8.590 6.968 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.753 6.463 9.731 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.981 5.187 9.550 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.694 5.362 8.334 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.921 9.436 7.876 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.124 9.237 9.173 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.820 8.042 8.977 1.00 0.00 H new ATOM 135 N GLN A 12 -7.119 5.745 8.495 1.00 0.00 N ATOM 136 CA GLN A 12 -8.110 4.974 9.240 1.00 0.00 C ATOM 137 C GLN A 12 -8.718 3.879 8.368 1.00 0.00 C ATOM 138 O GLN A 12 -9.119 2.827 8.866 1.00 0.00 O ATOM 139 CB GLN A 12 -9.213 5.893 9.767 1.00 0.00 C ATOM 140 CG GLN A 12 -9.949 5.331 10.972 1.00 0.00 C ATOM 141 CD GLN A 12 -11.015 4.324 10.587 1.00 0.00 C ATOM 142 OE1 GLN A 12 -11.403 4.228 9.422 1.00 0.00 O ATOM 143 NE2 GLN A 12 -11.495 3.565 11.566 1.00 0.00 N ATOM 0 H GLN A 12 -7.322 6.742 8.429 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.605 4.503 10.084 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.776 6.855 10.035 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.931 6.080 8.968 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.232 4.857 11.642 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.410 6.149 11.525 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.145 3.678 12.517 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.214 2.869 11.366 1.00 0.00 H new ATOM 152 N LEU A 13 -8.784 4.133 7.065 1.00 0.00 N ATOM 153 CA LEU A 13 -9.343 3.168 6.125 1.00 0.00 C ATOM 154 C LEU A 13 -8.559 1.860 6.159 1.00 0.00 C ATOM 155 O LEU A 13 -9.115 0.785 5.936 1.00 0.00 O ATOM 156 CB LEU A 13 -9.338 3.743 4.708 1.00 0.00 C ATOM 157 CG LEU A 13 -10.506 4.675 4.384 1.00 0.00 C ATOM 158 CD1 LEU A 13 -10.379 5.216 2.968 1.00 0.00 C ATOM 159 CD2 LEU A 13 -11.830 3.948 4.563 1.00 0.00 C ATOM 0 H LEU A 13 -8.457 4.999 6.636 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.371 2.962 6.422 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.406 4.287 4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.344 2.917 3.997 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.479 5.517 5.076 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.219 5.877 2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.446 5.772 2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.381 4.387 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -12.651 4.625 4.329 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -11.866 3.088 3.894 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -11.922 3.609 5.595 1.00 0.00 H new ATOM 171 N LEU A 14 -7.263 1.960 6.439 1.00 0.00 N ATOM 172 CA LEU A 14 -6.402 0.785 6.503 1.00 0.00 C ATOM 173 C LEU A 14 -6.500 0.112 7.868 1.00 0.00 C ATOM 174 O LEU A 14 -6.654 -1.106 7.961 1.00 0.00 O ATOM 175 CB LEU A 14 -4.951 1.175 6.216 1.00 0.00 C ATOM 176 CG LEU A 14 -4.729 1.923 4.901 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.607 2.939 5.047 1.00 0.00 C ATOM 178 CD2 LEU A 14 -4.421 0.945 3.778 1.00 0.00 C ATOM 0 H LEU A 14 -6.787 2.843 6.625 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.738 0.077 5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.589 1.796 7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.342 0.271 6.209 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.645 2.458 4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.464 3.461 4.101 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.867 3.659 5.823 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.685 2.426 5.321 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.266 1.494 2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.520 0.383 4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.257 0.256 3.656 1.00 0.00 H new ATOM 190 N LYS A 15 -6.408 0.914 8.924 1.00 0.00 N ATOM 191 CA LYS A 15 -6.486 0.398 10.287 1.00 0.00 C ATOM 192 C LYS A 15 -7.804 -0.335 10.518 1.00 0.00 C ATOM 193 O LYS A 15 -7.817 -1.488 10.950 1.00 0.00 O ATOM 194 CB LYS A 15 -6.339 1.540 11.294 1.00 0.00 C ATOM 195 CG LYS A 15 -4.913 2.049 11.433 1.00 0.00 C ATOM 196 CD LYS A 15 -4.867 3.566 11.509 1.00 0.00 C ATOM 197 CE LYS A 15 -3.802 4.043 12.485 1.00 0.00 C ATOM 198 NZ LYS A 15 -2.483 3.404 12.223 1.00 0.00 N ATOM 0 H LYS A 15 -6.279 1.924 8.863 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.670 -0.310 10.429 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.983 2.366 10.991 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.692 1.202 12.268 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.460 1.625 12.329 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.320 1.708 10.584 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.664 3.975 10.519 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.841 3.946 11.817 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.702 5.126 12.412 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.117 3.820 13.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.750 3.875 12.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.528 2.397 12.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.248 3.493 11.214 1.00 0.00 H new ATOM 212 N SER A 16 -8.910 0.341 10.226 1.00 0.00 N ATOM 213 CA SER A 16 -10.233 -0.246 10.403 1.00 0.00 C ATOM 214 C SER A 16 -10.405 -1.474 9.514 1.00 0.00 C ATOM 215 O SER A 16 -10.832 -2.532 9.977 1.00 0.00 O ATOM 216 CB SER A 16 -11.318 0.784 10.085 1.00 0.00 C ATOM 217 OG SER A 16 -12.403 0.679 10.992 1.00 0.00 O ATOM 0 H SER A 16 -8.916 1.295 9.866 1.00 0.00 H new ATOM 0 HA SER A 16 -10.330 -0.555 11.444 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.896 1.788 10.133 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.676 0.637 9.066 1.00 0.00 H new ATOM 0 HG SER A 16 -13.147 1.233 10.677 1.00 0.00 H new ATOM 223 N ASN A 17 -10.072 -1.325 8.237 1.00 0.00 N ATOM 224 CA ASN A 17 -10.190 -2.421 7.283 1.00 0.00 C ATOM 225 C ASN A 17 -8.847 -3.119 7.087 1.00 0.00 C ATOM 226 O ASN A 17 -8.443 -3.407 5.961 1.00 0.00 O ATOM 227 CB ASN A 17 -10.711 -1.904 5.941 1.00 0.00 C ATOM 228 CG ASN A 17 -11.923 -1.005 6.098 1.00 0.00 C ATOM 229 OD1 ASN A 17 -13.014 -1.468 6.429 1.00 0.00 O ATOM 230 ND2 ASN A 17 -11.735 0.288 5.860 1.00 0.00 N ATOM 0 H ASN A 17 -9.718 -0.455 7.838 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.899 -3.144 7.685 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.918 -1.355 5.434 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.970 -2.750 5.305 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.513 0.941 5.949 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.812 0.628 5.588 1.00 0.00 H new ATOM 237 N ARG A 18 -8.158 -3.386 8.192 1.00 0.00 N ATOM 238 CA ARG A 18 -6.861 -4.049 8.143 1.00 0.00 C ATOM 239 C ARG A 18 -7.021 -5.544 7.886 1.00 0.00 C ATOM 240 O ARG A 18 -6.511 -6.071 6.898 1.00 0.00 O ATOM 241 CB ARG A 18 -6.101 -3.825 9.452 1.00 0.00 C ATOM 242 CG ARG A 18 -4.591 -3.774 9.279 1.00 0.00 C ATOM 243 CD ARG A 18 -3.869 -4.037 10.591 1.00 0.00 C ATOM 244 NE ARG A 18 -3.262 -2.823 11.134 1.00 0.00 N ATOM 245 CZ ARG A 18 -3.925 -1.916 11.848 1.00 0.00 C ATOM 246 NH1 ARG A 18 -5.218 -2.076 12.102 1.00 0.00 N ATOM 247 NH2 ARG A 18 -3.294 -0.844 12.307 1.00 0.00 N ATOM 0 H ARG A 18 -8.477 -3.153 9.132 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.292 -3.616 7.320 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.438 -2.892 9.903 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.352 -4.625 10.149 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.284 -4.513 8.539 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.301 -2.797 8.893 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.572 -4.447 11.316 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.097 -4.790 10.435 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.271 -2.661 10.955 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.709 -2.898 11.749 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.720 -1.377 12.650 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.301 -0.715 12.113 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.802 -0.149 12.854 1.00 0.00 H new ATOM 261 N GLU A 19 -7.731 -6.221 8.782 1.00 0.00 N ATOM 262 CA GLU A 19 -7.957 -7.657 8.654 1.00 0.00 C ATOM 263 C GLU A 19 -8.680 -7.982 7.351 1.00 0.00 C ATOM 264 O GLU A 19 -8.490 -9.053 6.774 1.00 0.00 O ATOM 265 CB GLU A 19 -8.766 -8.173 9.846 1.00 0.00 C ATOM 266 CG GLU A 19 -7.912 -8.817 10.927 1.00 0.00 C ATOM 267 CD GLU A 19 -7.812 -10.322 10.770 1.00 0.00 C ATOM 268 OE1 GLU A 19 -8.843 -10.957 10.462 1.00 0.00 O ATOM 269 OE2 GLU A 19 -6.703 -10.865 10.956 1.00 0.00 O ATOM 0 H GLU A 19 -8.160 -5.799 9.605 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.987 -8.153 8.640 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.325 -7.345 10.281 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.497 -8.899 9.491 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.912 -8.385 10.900 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.334 -8.584 11.905 1.00 0.00 H new ATOM 276 N LEU A 20 -9.512 -7.052 6.893 1.00 0.00 N ATOM 277 CA LEU A 20 -10.266 -7.242 5.659 1.00 0.00 C ATOM 278 C LEU A 20 -9.355 -7.123 4.440 1.00 0.00 C ATOM 279 O LEU A 20 -9.590 -7.759 3.413 1.00 0.00 O ATOM 280 CB LEU A 20 -11.397 -6.217 5.566 1.00 0.00 C ATOM 281 CG LEU A 20 -12.435 -6.495 4.477 1.00 0.00 C ATOM 282 CD1 LEU A 20 -13.200 -7.773 4.782 1.00 0.00 C ATOM 283 CD2 LEU A 20 -13.391 -5.319 4.342 1.00 0.00 C ATOM 0 H LEU A 20 -9.681 -6.160 7.358 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.693 -8.245 5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.906 -6.172 6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.962 -5.233 5.389 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.914 -6.626 3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.934 -7.954 3.996 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.504 -8.611 4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.711 -7.671 5.739 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.123 -5.533 3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -13.906 -5.158 5.289 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.830 -4.423 4.077 1.00 0.00 H new ATOM 295 N LEU A 21 -8.316 -6.303 4.560 1.00 0.00 N ATOM 296 CA LEU A 21 -7.372 -6.100 3.468 1.00 0.00 C ATOM 297 C LEU A 21 -6.354 -7.235 3.408 1.00 0.00 C ATOM 298 O LEU A 21 -5.862 -7.583 2.335 1.00 0.00 O ATOM 299 CB LEU A 21 -6.650 -4.761 3.634 1.00 0.00 C ATOM 300 CG LEU A 21 -7.480 -3.529 3.269 1.00 0.00 C ATOM 301 CD1 LEU A 21 -6.832 -2.267 3.820 1.00 0.00 C ATOM 302 CD2 LEU A 21 -7.648 -3.428 1.760 1.00 0.00 C ATOM 0 H LEU A 21 -8.107 -5.768 5.403 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.933 -6.091 2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.324 -4.667 4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.752 -4.771 3.017 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.467 -3.633 3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.436 -1.401 3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.763 -2.338 4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.833 -2.158 3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.241 -2.546 1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.668 -3.347 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.155 -4.319 1.390 1.00 0.00 H new ATOM 314 N VAL A 22 -6.043 -7.806 4.566 1.00 0.00 N ATOM 315 CA VAL A 22 -5.083 -8.900 4.644 1.00 0.00 C ATOM 316 C VAL A 22 -5.636 -10.165 3.995 1.00 0.00 C ATOM 317 O VAL A 22 -4.882 -10.984 3.467 1.00 0.00 O ATOM 318 CB VAL A 22 -4.702 -9.210 6.105 1.00 0.00 C ATOM 319 CG1 VAL A 22 -3.587 -10.243 6.161 1.00 0.00 C ATOM 320 CG2 VAL A 22 -4.296 -7.936 6.834 1.00 0.00 C ATOM 0 H VAL A 22 -6.442 -7.530 5.463 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.192 -8.578 4.104 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.575 -9.626 6.607 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.333 -10.448 7.201 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.919 -11.163 5.681 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.709 -9.859 5.642 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.031 -8.175 7.864 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.438 -7.488 6.333 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.128 -7.232 6.828 1.00 0.00 H new ATOM 330 N THR A 23 -6.955 -10.321 4.039 1.00 0.00 N ATOM 331 CA THR A 23 -7.607 -11.487 3.456 1.00 0.00 C ATOM 332 C THR A 23 -7.834 -11.296 1.959 1.00 0.00 C ATOM 333 O THR A 23 -7.779 -12.252 1.186 1.00 0.00 O ATOM 334 CB THR A 23 -8.942 -11.753 4.154 1.00 0.00 C ATOM 335 OG1 THR A 23 -8.864 -11.413 5.527 1.00 0.00 O ATOM 336 CG2 THR A 23 -9.388 -13.196 4.063 1.00 0.00 C ATOM 0 H THR A 23 -7.593 -9.654 4.473 1.00 0.00 H new ATOM 0 HA THR A 23 -6.951 -12.346 3.598 1.00 0.00 H new ATOM 0 HB THR A 23 -9.670 -11.132 3.633 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.943 -10.441 5.628 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.341 -13.315 4.578 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.504 -13.476 3.016 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.641 -13.838 4.529 1.00 0.00 H new ATOM 344 N HIS A 24 -8.089 -10.055 1.559 1.00 0.00 N ATOM 345 CA HIS A 24 -8.324 -9.738 0.155 1.00 0.00 C ATOM 346 C HIS A 24 -7.014 -9.713 -0.626 1.00 0.00 C ATOM 347 O HIS A 24 -6.850 -10.438 -1.606 1.00 0.00 O ATOM 348 CB HIS A 24 -9.034 -8.389 0.027 1.00 0.00 C ATOM 349 CG HIS A 24 -10.492 -8.445 0.358 1.00 0.00 C ATOM 350 ND1 HIS A 24 -11.229 -9.608 0.392 1.00 0.00 N ATOM 351 CD2 HIS A 24 -11.355 -7.446 0.675 1.00 0.00 C ATOM 352 CE1 HIS A 24 -12.487 -9.288 0.721 1.00 0.00 C ATOM 353 NE2 HIS A 24 -12.617 -7.988 0.905 1.00 0.00 N ATOM 0 H HIS A 24 -8.138 -9.253 2.187 1.00 0.00 H new ATOM 0 HA HIS A 24 -8.960 -10.517 -0.265 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.548 -7.668 0.685 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -8.915 -8.021 -0.992 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.103 -6.398 0.739 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -13.291 -10.002 0.823 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -13.466 -7.484 1.162 1.00 0.00 H new ATOM 361 N ILE A 25 -6.085 -8.871 -0.183 1.00 0.00 N ATOM 362 CA ILE A 25 -4.789 -8.750 -0.841 1.00 0.00 C ATOM 363 C ILE A 25 -3.949 -10.006 -0.635 1.00 0.00 C ATOM 364 O ILE A 25 -3.644 -10.382 0.497 1.00 0.00 O ATOM 365 CB ILE A 25 -4.007 -7.527 -0.320 1.00 0.00 C ATOM 366 CG1 ILE A 25 -4.879 -6.271 -0.382 1.00 0.00 C ATOM 367 CG2 ILE A 25 -2.731 -7.331 -1.125 1.00 0.00 C ATOM 368 CD1 ILE A 25 -4.521 -5.235 0.661 1.00 0.00 C ATOM 0 H ILE A 25 -6.206 -8.264 0.627 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.984 -8.619 -1.905 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.734 -7.706 0.720 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.789 -5.824 -1.372 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.923 -6.557 -0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.191 -6.464 -0.745 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.104 -8.218 -1.034 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.983 -7.170 -2.173 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.179 -4.372 0.558 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.639 -5.665 1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.487 -4.921 0.522 1.00 0.00 H new ATOM 380 N ARG A 26 -3.575 -10.648 -1.736 1.00 0.00 N ATOM 381 CA ARG A 26 -2.767 -11.861 -1.678 1.00 0.00 C ATOM 382 C ARG A 26 -1.314 -11.563 -2.034 1.00 0.00 C ATOM 383 O ARG A 26 -0.392 -12.014 -1.353 1.00 0.00 O ATOM 384 CB ARG A 26 -3.331 -12.921 -2.628 1.00 0.00 C ATOM 385 CG ARG A 26 -3.380 -14.315 -2.023 1.00 0.00 C ATOM 386 CD ARG A 26 -4.791 -14.692 -1.599 1.00 0.00 C ATOM 387 NE ARG A 26 -4.815 -15.330 -0.285 1.00 0.00 N ATOM 388 CZ ARG A 26 -4.496 -16.605 -0.073 1.00 0.00 C ATOM 389 NH1 ARG A 26 -4.128 -17.381 -1.084 1.00 0.00 N ATOM 390 NH2 ARG A 26 -4.547 -17.106 1.154 1.00 0.00 N ATOM 0 H ARG A 26 -3.818 -10.349 -2.680 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.802 -12.243 -0.658 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.337 -12.629 -2.929 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.723 -12.947 -3.532 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.011 -15.040 -2.748 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.716 -14.361 -1.160 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.415 -13.798 -1.580 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.224 -15.367 -2.338 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.093 -14.765 0.518 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.088 -17.002 -2.030 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.885 -18.357 -0.915 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -4.831 -16.514 1.935 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.303 -18.083 1.317 1.00 0.00 H new ATOM 404 N ASN A 27 -1.117 -10.799 -3.104 1.00 0.00 N ATOM 405 CA ASN A 27 0.224 -10.439 -3.550 1.00 0.00 C ATOM 406 C ASN A 27 0.660 -9.110 -2.940 1.00 0.00 C ATOM 407 O ASN A 27 -0.015 -8.093 -3.096 1.00 0.00 O ATOM 408 CB ASN A 27 0.270 -10.356 -5.079 1.00 0.00 C ATOM 409 CG ASN A 27 1.383 -11.198 -5.670 1.00 0.00 C ATOM 410 OD1 ASN A 27 2.536 -11.110 -5.247 1.00 0.00 O ATOM 411 ND2 ASN A 27 1.043 -12.022 -6.655 1.00 0.00 N ATOM 0 H ASN A 27 -1.869 -10.417 -3.678 1.00 0.00 H new ATOM 0 HA ASN A 27 0.914 -11.214 -3.216 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.686 -10.684 -5.487 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.405 -9.317 -5.380 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.750 -12.614 -7.092 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.075 -12.063 -6.975 1.00 0.00 H new ATOM 418 N THR A 28 1.792 -9.127 -2.245 1.00 0.00 N ATOM 419 CA THR A 28 2.318 -7.923 -1.611 1.00 0.00 C ATOM 420 C THR A 28 3.455 -7.326 -2.433 1.00 0.00 C ATOM 421 O THR A 28 3.633 -6.109 -2.473 1.00 0.00 O ATOM 422 CB THR A 28 2.808 -8.239 -0.198 1.00 0.00 C ATOM 423 OG1 THR A 28 3.384 -9.533 -0.144 1.00 0.00 O ATOM 424 CG2 THR A 28 1.710 -8.182 0.843 1.00 0.00 C ATOM 0 H THR A 28 2.363 -9.961 -2.106 1.00 0.00 H new ATOM 0 HA THR A 28 1.512 -7.191 -1.555 1.00 0.00 H new ATOM 0 HB THR A 28 3.545 -7.469 0.031 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.121 -9.973 0.691 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.125 -8.416 1.823 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.278 -7.181 0.862 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.935 -8.907 0.595 1.00 0.00 H new ATOM 432 N GLN A 29 4.223 -8.191 -3.089 1.00 0.00 N ATOM 433 CA GLN A 29 5.345 -7.751 -3.910 1.00 0.00 C ATOM 434 C GLN A 29 4.888 -6.762 -4.980 1.00 0.00 C ATOM 435 O GLN A 29 5.654 -5.899 -5.409 1.00 0.00 O ATOM 436 CB GLN A 29 6.023 -8.954 -4.569 1.00 0.00 C ATOM 437 CG GLN A 29 7.158 -9.539 -3.744 1.00 0.00 C ATOM 438 CD GLN A 29 8.456 -8.775 -3.915 1.00 0.00 C ATOM 439 OE1 GLN A 29 9.058 -8.325 -2.940 1.00 0.00 O ATOM 440 NE2 GLN A 29 8.895 -8.625 -5.160 1.00 0.00 N ATOM 0 H GLN A 29 4.088 -9.202 -3.068 1.00 0.00 H new ATOM 0 HA GLN A 29 6.060 -7.247 -3.260 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.277 -9.729 -4.747 1.00 0.00 H new ATOM 0 HB3 GLN A 29 6.410 -8.654 -5.543 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.876 -9.537 -2.691 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.312 -10.579 -4.031 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.364 -9.015 -5.939 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.763 -8.120 -5.337 1.00 0.00 H new ATOM 449 N CYS A 30 3.635 -6.893 -5.406 1.00 0.00 N ATOM 450 CA CYS A 30 3.079 -6.011 -6.424 1.00 0.00 C ATOM 451 C CYS A 30 2.912 -4.593 -5.884 1.00 0.00 C ATOM 452 O CYS A 30 3.240 -3.619 -6.560 1.00 0.00 O ATOM 453 CB CYS A 30 1.731 -6.545 -6.911 1.00 0.00 C ATOM 454 SG CYS A 30 1.847 -7.643 -8.343 1.00 0.00 S ATOM 0 H CYS A 30 2.987 -7.601 -5.062 1.00 0.00 H new ATOM 0 HA CYS A 30 3.775 -5.982 -7.262 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.248 -7.081 -6.094 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.088 -5.702 -7.164 1.00 0.00 H new ATOM 0 HG CYS A 30 0.657 -8.045 -8.679 1.00 0.00 H new ATOM 460 N LEU A 31 2.401 -4.486 -4.662 1.00 0.00 N ATOM 461 CA LEU A 31 2.191 -3.189 -4.031 1.00 0.00 C ATOM 462 C LEU A 31 3.522 -2.504 -3.735 1.00 0.00 C ATOM 463 O LEU A 31 3.675 -1.302 -3.952 1.00 0.00 O ATOM 464 CB LEU A 31 1.389 -3.350 -2.738 1.00 0.00 C ATOM 465 CG LEU A 31 -0.131 -3.318 -2.911 1.00 0.00 C ATOM 466 CD1 LEU A 31 -0.818 -3.928 -1.698 1.00 0.00 C ATOM 467 CD2 LEU A 31 -0.611 -1.893 -3.137 1.00 0.00 C ATOM 0 H LEU A 31 2.125 -5.283 -4.089 1.00 0.00 H new ATOM 0 HA LEU A 31 1.628 -2.564 -4.724 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.667 -4.295 -2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.678 -2.557 -2.048 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.391 -3.911 -3.788 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.899 -3.897 -1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.497 -4.963 -1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.551 -3.362 -0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.694 -1.889 -3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.339 -1.277 -2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.144 -1.490 -4.036 1.00 0.00 H new ATOM 479 N VAL A 32 4.481 -3.276 -3.238 1.00 0.00 N ATOM 480 CA VAL A 32 5.798 -2.744 -2.911 1.00 0.00 C ATOM 481 C VAL A 32 6.568 -2.371 -4.174 1.00 0.00 C ATOM 482 O VAL A 32 7.351 -1.422 -4.178 1.00 0.00 O ATOM 483 CB VAL A 32 6.629 -3.755 -2.096 1.00 0.00 C ATOM 484 CG1 VAL A 32 7.932 -3.125 -1.629 1.00 0.00 C ATOM 485 CG2 VAL A 32 5.826 -4.272 -0.911 1.00 0.00 C ATOM 0 H VAL A 32 4.371 -4.273 -3.053 1.00 0.00 H new ATOM 0 HA VAL A 32 5.637 -1.850 -2.308 1.00 0.00 H new ATOM 0 HB VAL A 32 6.872 -4.600 -2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.504 -3.855 -1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.513 -2.807 -2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.714 -2.261 -1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.428 -4.984 -0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.552 -3.438 -0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.923 -4.765 -1.271 1.00 0.00 H new ATOM 495 N ASP A 33 6.339 -3.125 -5.245 1.00 0.00 N ATOM 496 CA ASP A 33 7.012 -2.872 -6.514 1.00 0.00 C ATOM 497 C ASP A 33 6.629 -1.503 -7.068 1.00 0.00 C ATOM 498 O ASP A 33 7.488 -0.736 -7.504 1.00 0.00 O ATOM 499 CB ASP A 33 6.663 -3.965 -7.527 1.00 0.00 C ATOM 500 CG ASP A 33 7.793 -4.956 -7.718 1.00 0.00 C ATOM 501 OD1 ASP A 33 8.412 -5.353 -6.709 1.00 0.00 O ATOM 502 OD2 ASP A 33 8.059 -5.337 -8.877 1.00 0.00 O ATOM 0 H ASP A 33 5.694 -3.915 -5.259 1.00 0.00 H new ATOM 0 HA ASP A 33 8.087 -2.883 -6.337 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.771 -4.495 -7.193 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.421 -3.505 -8.485 1.00 0.00 H new ATOM 507 N ASN A 34 5.335 -1.202 -7.050 1.00 0.00 N ATOM 508 CA ASN A 34 4.838 0.074 -7.551 1.00 0.00 C ATOM 509 C ASN A 34 5.258 1.218 -6.634 1.00 0.00 C ATOM 510 O ASN A 34 5.584 2.311 -7.098 1.00 0.00 O ATOM 511 CB ASN A 34 3.313 0.039 -7.675 1.00 0.00 C ATOM 512 CG ASN A 34 2.843 -0.921 -8.751 1.00 0.00 C ATOM 513 OD1 ASN A 34 3.429 -0.998 -9.830 1.00 0.00 O ATOM 514 ND2 ASN A 34 1.778 -1.659 -8.461 1.00 0.00 N ATOM 0 H ASN A 34 4.611 -1.825 -6.693 1.00 0.00 H new ATOM 0 HA ASN A 34 5.272 0.243 -8.537 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.880 -0.252 -6.718 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.946 1.041 -7.900 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.415 -2.322 -9.146 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.323 -1.563 -7.553 1.00 0.00 H new ATOM 521 N LEU A 35 5.250 0.958 -5.331 1.00 0.00 N ATOM 522 CA LEU A 35 5.631 1.967 -4.349 1.00 0.00 C ATOM 523 C LEU A 35 7.117 2.295 -4.453 1.00 0.00 C ATOM 524 O LEU A 35 7.534 3.423 -4.189 1.00 0.00 O ATOM 525 CB LEU A 35 5.303 1.482 -2.936 1.00 0.00 C ATOM 526 CG LEU A 35 3.813 1.434 -2.596 1.00 0.00 C ATOM 527 CD1 LEU A 35 3.564 0.518 -1.408 1.00 0.00 C ATOM 528 CD2 LEU A 35 3.287 2.833 -2.313 1.00 0.00 C ATOM 0 H LEU A 35 4.984 0.058 -4.931 1.00 0.00 H new ATOM 0 HA LEU A 35 5.062 2.873 -4.557 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.722 0.484 -2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.802 2.134 -2.220 1.00 0.00 H new ATOM 0 HG LEU A 35 3.277 1.032 -3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.498 0.497 -1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.904 -0.490 -1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.112 0.889 -0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.225 2.781 -2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.829 3.262 -1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.429 3.460 -3.193 1.00 0.00 H new ATOM 540 N LEU A 36 7.911 1.303 -4.843 1.00 0.00 N ATOM 541 CA LEU A 36 9.351 1.487 -4.983 1.00 0.00 C ATOM 542 C LEU A 36 9.674 2.318 -6.220 1.00 0.00 C ATOM 543 O LEU A 36 10.593 3.138 -6.207 1.00 0.00 O ATOM 544 CB LEU A 36 10.054 0.130 -5.067 1.00 0.00 C ATOM 545 CG LEU A 36 10.212 -0.600 -3.733 1.00 0.00 C ATOM 546 CD1 LEU A 36 10.716 -2.017 -3.957 1.00 0.00 C ATOM 547 CD2 LEU A 36 11.154 0.164 -2.815 1.00 0.00 C ATOM 0 H LEU A 36 7.582 0.364 -5.068 1.00 0.00 H new ATOM 0 HA LEU A 36 9.712 2.021 -4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.495 -0.510 -5.750 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.042 0.276 -5.503 1.00 0.00 H new ATOM 0 HG LEU A 36 9.235 -0.655 -3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.822 -2.521 -2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.004 -2.563 -4.577 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.683 -1.984 -4.459 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.254 -0.370 -1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.132 0.251 -3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.752 1.160 -2.628 1.00 0.00 H new ATOM 559 N LYS A 37 8.914 2.101 -7.288 1.00 0.00 N ATOM 560 CA LYS A 37 9.119 2.831 -8.534 1.00 0.00 C ATOM 561 C LYS A 37 8.885 4.324 -8.334 1.00 0.00 C ATOM 562 O LYS A 37 9.586 5.156 -8.911 1.00 0.00 O ATOM 563 CB LYS A 37 8.186 2.297 -9.621 1.00 0.00 C ATOM 564 CG LYS A 37 8.808 2.292 -11.008 1.00 0.00 C ATOM 565 CD LYS A 37 9.330 0.914 -11.381 1.00 0.00 C ATOM 566 CE LYS A 37 10.836 0.819 -11.196 1.00 0.00 C ATOM 567 NZ LYS A 37 11.341 -0.562 -11.430 1.00 0.00 N ATOM 0 H LYS A 37 8.150 1.425 -7.316 1.00 0.00 H new ATOM 0 HA LYS A 37 10.152 2.683 -8.848 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.885 1.282 -9.363 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.280 2.903 -9.640 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.067 2.612 -11.741 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.624 3.013 -11.044 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.839 0.159 -10.767 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.075 0.696 -12.418 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.330 1.507 -11.883 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.098 1.134 -10.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.372 -0.582 -11.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.890 -1.215 -10.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.115 -0.854 -12.402 1.00 0.00 H new ATOM 581 N ASN A 38 7.894 4.658 -7.513 1.00 0.00 N ATOM 582 CA ASN A 38 7.567 6.052 -7.235 1.00 0.00 C ATOM 583 C ASN A 38 8.475 6.634 -6.152 1.00 0.00 C ATOM 584 O ASN A 38 8.345 7.803 -5.785 1.00 0.00 O ATOM 585 CB ASN A 38 6.103 6.177 -6.807 1.00 0.00 C ATOM 586 CG ASN A 38 5.143 5.933 -7.955 1.00 0.00 C ATOM 587 OD1 ASN A 38 4.598 6.871 -8.533 1.00 0.00 O ATOM 588 ND2 ASN A 38 4.932 4.665 -8.289 1.00 0.00 N ATOM 0 H ASN A 38 7.303 3.982 -7.029 1.00 0.00 H new ATOM 0 HA ASN A 38 7.726 6.619 -8.152 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.899 5.464 -6.008 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.930 7.172 -6.398 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.296 4.438 -9.053 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.406 3.918 -7.781 1.00 0.00 H new ATOM 595 N ASP A 39 9.395 5.818 -5.641 1.00 0.00 N ATOM 596 CA ASP A 39 10.317 6.263 -4.602 1.00 0.00 C ATOM 597 C ASP A 39 9.559 6.677 -3.343 1.00 0.00 C ATOM 598 O ASP A 39 9.658 7.818 -2.891 1.00 0.00 O ATOM 599 CB ASP A 39 11.167 7.429 -5.110 1.00 0.00 C ATOM 600 CG ASP A 39 12.588 7.380 -4.586 1.00 0.00 C ATOM 601 OD1 ASP A 39 13.125 6.263 -4.427 1.00 0.00 O ATOM 602 OD2 ASP A 39 13.165 8.459 -4.333 1.00 0.00 O ATOM 0 H ASP A 39 9.520 4.848 -5.930 1.00 0.00 H new ATOM 0 HA ASP A 39 10.973 5.429 -4.350 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.184 7.415 -6.200 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.705 8.370 -4.811 1.00 0.00 H new ATOM 607 N TYR A 40 8.802 5.739 -2.782 1.00 0.00 N ATOM 608 CA TYR A 40 8.026 6.004 -1.575 1.00 0.00 C ATOM 609 C TYR A 40 8.453 5.077 -0.441 1.00 0.00 C ATOM 610 O TYR A 40 8.631 5.513 0.697 1.00 0.00 O ATOM 611 CB TYR A 40 6.532 5.832 -1.856 1.00 0.00 C ATOM 612 CG TYR A 40 5.837 7.116 -2.248 1.00 0.00 C ATOM 613 CD1 TYR A 40 5.806 8.203 -1.384 1.00 0.00 C ATOM 614 CD2 TYR A 40 5.214 7.241 -3.483 1.00 0.00 C ATOM 615 CE1 TYR A 40 5.172 9.379 -1.739 1.00 0.00 C ATOM 616 CE2 TYR A 40 4.577 8.414 -3.845 1.00 0.00 C ATOM 617 CZ TYR A 40 4.559 9.479 -2.969 1.00 0.00 C ATOM 618 OH TYR A 40 3.926 10.648 -3.327 1.00 0.00 O ATOM 0 H TYR A 40 8.709 4.790 -3.143 1.00 0.00 H new ATOM 0 HA TYR A 40 8.214 7.033 -1.270 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.403 5.101 -2.654 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.049 5.424 -0.968 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.285 8.128 -0.419 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.227 6.409 -4.172 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.157 10.215 -1.056 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.096 8.496 -4.809 1.00 0.00 H new ATOM 0 HH TYR A 40 3.547 10.553 -4.226 1.00 0.00 H new ATOM 628 N PHE A 41 8.615 3.797 -0.759 1.00 0.00 N ATOM 629 CA PHE A 41 9.021 2.808 0.234 1.00 0.00 C ATOM 630 C PHE A 41 10.540 2.745 0.348 1.00 0.00 C ATOM 631 O PHE A 41 11.237 2.500 -0.637 1.00 0.00 O ATOM 632 CB PHE A 41 8.463 1.430 -0.133 1.00 0.00 C ATOM 633 CG PHE A 41 7.285 1.018 0.703 1.00 0.00 C ATOM 634 CD1 PHE A 41 6.103 1.739 0.661 1.00 0.00 C ATOM 635 CD2 PHE A 41 7.361 -0.091 1.532 1.00 0.00 C ATOM 636 CE1 PHE A 41 5.017 1.361 1.428 1.00 0.00 C ATOM 637 CE2 PHE A 41 6.279 -0.472 2.302 1.00 0.00 C ATOM 638 CZ PHE A 41 5.105 0.255 2.251 1.00 0.00 C ATOM 0 H PHE A 41 8.472 3.420 -1.696 1.00 0.00 H new ATOM 0 HA PHE A 41 8.617 3.109 1.200 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.170 1.433 -1.183 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.253 0.687 -0.025 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.029 2.606 0.022 1.00 0.00 H new ATOM 0 HD2 PHE A 41 8.276 -0.663 1.576 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.100 1.930 1.384 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.351 -1.338 2.944 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.258 -0.041 2.853 1.00 0.00 H new ATOM 648 N SER A 42 11.048 2.966 1.556 1.00 0.00 N ATOM 649 CA SER A 42 12.485 2.933 1.799 1.00 0.00 C ATOM 650 C SER A 42 13.032 1.518 1.638 1.00 0.00 C ATOM 651 O SER A 42 12.281 0.544 1.681 1.00 0.00 O ATOM 652 CB SER A 42 12.798 3.456 3.202 1.00 0.00 C ATOM 653 OG SER A 42 11.819 4.387 3.631 1.00 0.00 O ATOM 0 H SER A 42 10.485 3.170 2.382 1.00 0.00 H new ATOM 0 HA SER A 42 12.967 3.576 1.063 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.843 2.622 3.903 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.780 3.929 3.206 1.00 0.00 H new ATOM 0 HG SER A 42 11.282 3.990 4.349 1.00 0.00 H new ATOM 659 N ALA A 43 14.343 1.414 1.452 1.00 0.00 N ATOM 660 CA ALA A 43 14.990 0.117 1.285 1.00 0.00 C ATOM 661 C ALA A 43 14.764 -0.769 2.504 1.00 0.00 C ATOM 662 O ALA A 43 14.696 -1.993 2.389 1.00 0.00 O ATOM 663 CB ALA A 43 16.478 0.301 1.031 1.00 0.00 C ATOM 0 H ALA A 43 14.978 2.211 1.413 1.00 0.00 H new ATOM 0 HA ALA A 43 14.544 -0.378 0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.949 -0.674 0.908 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.622 0.891 0.126 1.00 0.00 H new ATOM 0 HB3 ALA A 43 16.930 0.819 1.877 1.00 0.00 H new ATOM 669 N GLU A 44 14.650 -0.144 3.671 1.00 0.00 N ATOM 670 CA GLU A 44 14.431 -0.877 4.913 1.00 0.00 C ATOM 671 C GLU A 44 12.970 -1.293 5.049 1.00 0.00 C ATOM 672 O GLU A 44 12.668 -2.391 5.515 1.00 0.00 O ATOM 673 CB GLU A 44 14.844 -0.023 6.112 1.00 0.00 C ATOM 674 CG GLU A 44 16.345 0.005 6.351 1.00 0.00 C ATOM 675 CD GLU A 44 16.731 -0.539 7.714 1.00 0.00 C ATOM 676 OE1 GLU A 44 16.432 -1.721 7.987 1.00 0.00 O ATOM 677 OE2 GLU A 44 17.329 0.217 8.507 1.00 0.00 O ATOM 0 H GLU A 44 14.706 0.868 3.783 1.00 0.00 H new ATOM 0 HA GLU A 44 15.045 -1.777 4.888 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.490 0.997 5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.349 -0.403 7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 44 16.843 -0.579 5.577 1.00 0.00 H new ATOM 0 HG3 GLU A 44 16.705 1.030 6.258 1.00 0.00 H new ATOM 684 N ASP A 45 12.068 -0.408 4.638 1.00 0.00 N ATOM 685 CA ASP A 45 10.637 -0.684 4.714 1.00 0.00 C ATOM 686 C ASP A 45 10.263 -1.868 3.829 1.00 0.00 C ATOM 687 O ASP A 45 9.368 -2.645 4.161 1.00 0.00 O ATOM 688 CB ASP A 45 9.836 0.551 4.298 1.00 0.00 C ATOM 689 CG ASP A 45 9.810 1.615 5.379 1.00 0.00 C ATOM 690 OD1 ASP A 45 10.888 2.154 5.707 1.00 0.00 O ATOM 691 OD2 ASP A 45 8.712 1.908 5.898 1.00 0.00 O ATOM 0 H ASP A 45 12.302 0.506 4.249 1.00 0.00 H new ATOM 0 HA ASP A 45 10.395 -0.935 5.747 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.267 0.971 3.389 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.815 0.255 4.059 1.00 0.00 H new ATOM 696 N ALA A 46 10.956 -2.001 2.703 1.00 0.00 N ATOM 697 CA ALA A 46 10.697 -3.091 1.771 1.00 0.00 C ATOM 698 C ALA A 46 11.261 -4.408 2.296 1.00 0.00 C ATOM 699 O ALA A 46 10.723 -5.479 2.018 1.00 0.00 O ATOM 700 CB ALA A 46 11.287 -2.770 0.406 1.00 0.00 C ATOM 0 H ALA A 46 11.701 -1.367 2.414 1.00 0.00 H new ATOM 0 HA ALA A 46 9.617 -3.202 1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.086 -3.593 -0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.834 -1.857 0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.364 -2.630 0.499 1.00 0.00 H new ATOM 706 N GLU A 47 12.347 -4.319 3.055 1.00 0.00 N ATOM 707 CA GLU A 47 12.986 -5.503 3.618 1.00 0.00 C ATOM 708 C GLU A 47 12.110 -6.135 4.696 1.00 0.00 C ATOM 709 O GLU A 47 12.071 -7.357 4.840 1.00 0.00 O ATOM 710 CB GLU A 47 14.353 -5.140 4.203 1.00 0.00 C ATOM 711 CG GLU A 47 15.428 -6.176 3.922 1.00 0.00 C ATOM 712 CD GLU A 47 16.372 -6.369 5.094 1.00 0.00 C ATOM 713 OE1 GLU A 47 15.882 -6.483 6.237 1.00 0.00 O ATOM 714 OE2 GLU A 47 17.599 -6.407 4.868 1.00 0.00 O ATOM 0 H GLU A 47 12.804 -3.439 3.295 1.00 0.00 H new ATOM 0 HA GLU A 47 13.122 -6.228 2.816 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.670 -4.180 3.796 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.256 -5.013 5.281 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.956 -7.128 3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.000 -5.872 3.045 1.00 0.00 H new ATOM 721 N ILE A 48 11.411 -5.296 5.452 1.00 0.00 N ATOM 722 CA ILE A 48 10.538 -5.774 6.518 1.00 0.00 C ATOM 723 C ILE A 48 9.351 -6.547 5.953 1.00 0.00 C ATOM 724 O ILE A 48 8.906 -7.535 6.539 1.00 0.00 O ATOM 725 CB ILE A 48 10.016 -4.610 7.385 1.00 0.00 C ATOM 726 CG1 ILE A 48 11.177 -3.734 7.858 1.00 0.00 C ATOM 727 CG2 ILE A 48 9.231 -5.144 8.573 1.00 0.00 C ATOM 728 CD1 ILE A 48 10.809 -2.275 8.014 1.00 0.00 C ATOM 0 H ILE A 48 11.432 -4.282 5.347 1.00 0.00 H new ATOM 0 HA ILE A 48 11.136 -6.439 7.141 1.00 0.00 H new ATOM 0 HB ILE A 48 9.348 -3.998 6.778 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.541 -4.112 8.813 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.999 -3.819 7.147 1.00 0.00 H new ATOM 0 HG21 ILE A 48 8.870 -4.310 9.175 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.383 -5.728 8.216 1.00 0.00 H new ATOM 0 HG23 ILE A 48 9.877 -5.777 9.181 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.680 -1.714 8.352 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.473 -1.880 7.055 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.008 -2.178 8.747 1.00 0.00 H new ATOM 740 N VAL A 49 8.841 -6.094 4.812 1.00 0.00 N ATOM 741 CA VAL A 49 7.705 -6.748 4.172 1.00 0.00 C ATOM 742 C VAL A 49 8.058 -8.171 3.752 1.00 0.00 C ATOM 743 O VAL A 49 7.402 -9.129 4.160 1.00 0.00 O ATOM 744 CB VAL A 49 7.226 -5.963 2.935 1.00 0.00 C ATOM 745 CG1 VAL A 49 5.950 -6.574 2.376 1.00 0.00 C ATOM 746 CG2 VAL A 49 7.017 -4.496 3.280 1.00 0.00 C ATOM 0 H VAL A 49 9.195 -5.278 4.312 1.00 0.00 H new ATOM 0 HA VAL A 49 6.901 -6.776 4.907 1.00 0.00 H new ATOM 0 HB VAL A 49 7.998 -6.025 2.168 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.627 -6.007 1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.138 -7.608 2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.170 -6.546 3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.679 -3.958 2.394 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.266 -4.410 4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.956 -4.067 3.628 1.00 0.00 H new ATOM 756 N CYS A 50 9.099 -8.301 2.937 1.00 0.00 N ATOM 757 CA CYS A 50 9.540 -9.609 2.463 1.00 0.00 C ATOM 758 C CYS A 50 10.044 -10.465 3.621 1.00 0.00 C ATOM 759 O CYS A 50 9.961 -11.693 3.579 1.00 0.00 O ATOM 760 CB CYS A 50 10.642 -9.450 1.413 1.00 0.00 C ATOM 761 SG CYS A 50 10.032 -9.305 -0.282 1.00 0.00 S ATOM 0 H CYS A 50 9.653 -7.518 2.591 1.00 0.00 H new ATOM 0 HA CYS A 50 8.685 -10.110 2.009 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.232 -8.565 1.652 1.00 0.00 H new ATOM 0 HB3 CYS A 50 11.313 -10.307 1.474 1.00 0.00 H new ATOM 0 HG CYS A 50 11.038 -9.172 -1.095 1.00 0.00 H new ATOM 767 N ALA A 51 10.568 -9.810 4.652 1.00 0.00 N ATOM 768 CA ALA A 51 11.085 -10.510 5.821 1.00 0.00 C ATOM 769 C ALA A 51 10.015 -11.390 6.460 1.00 0.00 C ATOM 770 O ALA A 51 10.327 -12.374 7.129 1.00 0.00 O ATOM 771 CB ALA A 51 11.626 -9.512 6.835 1.00 0.00 C ATOM 0 H ALA A 51 10.646 -8.794 4.701 1.00 0.00 H new ATOM 0 HA ALA A 51 11.897 -11.158 5.493 1.00 0.00 H new ATOM 0 HB1 ALA A 51 12.009 -10.047 7.704 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.430 -8.933 6.382 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.826 -8.840 7.147 1.00 0.00 H new ATOM 777 N CYS A 52 8.752 -11.028 6.252 1.00 0.00 N ATOM 778 CA CYS A 52 7.638 -11.787 6.811 1.00 0.00 C ATOM 779 C CYS A 52 7.700 -13.250 6.374 1.00 0.00 C ATOM 780 O CYS A 52 8.057 -13.551 5.235 1.00 0.00 O ATOM 781 CB CYS A 52 6.307 -11.170 6.377 1.00 0.00 C ATOM 782 SG CYS A 52 5.889 -9.638 7.240 1.00 0.00 S ATOM 0 H CYS A 52 8.475 -10.215 5.701 1.00 0.00 H new ATOM 0 HA CYS A 52 7.713 -11.748 7.898 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.342 -10.973 5.306 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.511 -11.896 6.542 1.00 0.00 H new ATOM 0 HG CYS A 52 5.981 -8.637 6.416 1.00 0.00 H new ATOM 788 N PRO A 53 7.352 -14.183 7.279 1.00 0.00 N ATOM 789 CA PRO A 53 7.373 -15.617 6.979 1.00 0.00 C ATOM 790 C PRO A 53 6.186 -16.050 6.125 1.00 0.00 C ATOM 791 O PRO A 53 6.332 -16.858 5.207 1.00 0.00 O ATOM 792 CB PRO A 53 7.298 -16.261 8.362 1.00 0.00 C ATOM 793 CG PRO A 53 6.548 -15.277 9.192 1.00 0.00 C ATOM 794 CD PRO A 53 6.916 -13.916 8.663 1.00 0.00 C ATOM 0 HA PRO A 53 8.253 -15.903 6.403 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.785 -17.222 8.325 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.292 -16.446 8.768 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.474 -15.445 9.120 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.815 -15.371 10.244 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.067 -13.233 8.690 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.711 -13.459 9.252 1.00 0.00 H new ATOM 802 N THR A 54 5.012 -15.509 6.432 1.00 0.00 N ATOM 803 CA THR A 54 3.800 -15.842 5.692 1.00 0.00 C ATOM 804 C THR A 54 3.319 -14.652 4.869 1.00 0.00 C ATOM 805 O THR A 54 3.810 -13.534 5.029 1.00 0.00 O ATOM 806 CB THR A 54 2.698 -16.290 6.653 1.00 0.00 C ATOM 807 OG1 THR A 54 2.307 -15.224 7.500 1.00 0.00 O ATOM 808 CG2 THR A 54 3.108 -17.449 7.535 1.00 0.00 C ATOM 0 H THR A 54 4.874 -14.838 7.188 1.00 0.00 H new ATOM 0 HA THR A 54 4.034 -16.660 5.011 1.00 0.00 H new ATOM 0 HB THR A 54 1.874 -16.612 6.017 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.600 -15.530 8.106 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.281 -17.717 8.192 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.369 -18.305 6.913 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.970 -17.161 8.136 1.00 0.00 H new ATOM 816 N GLN A 55 2.355 -14.899 3.988 1.00 0.00 N ATOM 817 CA GLN A 55 1.805 -13.848 3.139 1.00 0.00 C ATOM 818 C GLN A 55 0.969 -12.867 3.958 1.00 0.00 C ATOM 819 O GLN A 55 1.185 -11.656 3.899 1.00 0.00 O ATOM 820 CB GLN A 55 0.954 -14.459 2.022 1.00 0.00 C ATOM 821 CG GLN A 55 1.275 -13.908 0.643 1.00 0.00 C ATOM 822 CD GLN A 55 2.476 -14.583 0.010 1.00 0.00 C ATOM 823 OE1 GLN A 55 2.713 -15.774 0.215 1.00 0.00 O ATOM 824 NE2 GLN A 55 3.243 -13.823 -0.763 1.00 0.00 N ATOM 0 H GLN A 55 1.938 -15.819 3.843 1.00 0.00 H new ATOM 0 HA GLN A 55 2.636 -13.302 2.694 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.099 -15.539 2.015 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.099 -14.280 2.240 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.408 -14.035 -0.006 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.463 -12.837 0.719 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.009 -12.840 -0.905 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.066 -14.222 -1.215 1.00 0.00 H new ATOM 833 N PRO A 56 -0.001 -13.377 4.738 1.00 0.00 N ATOM 834 CA PRO A 56 -0.868 -12.535 5.569 1.00 0.00 C ATOM 835 C PRO A 56 -0.075 -11.556 6.428 1.00 0.00 C ATOM 836 O PRO A 56 -0.545 -10.458 6.730 1.00 0.00 O ATOM 837 CB PRO A 56 -1.601 -13.547 6.453 1.00 0.00 C ATOM 838 CG PRO A 56 -1.611 -14.805 5.658 1.00 0.00 C ATOM 839 CD PRO A 56 -0.328 -14.809 4.871 1.00 0.00 C ATOM 0 HA PRO A 56 -1.531 -11.913 4.967 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.089 -13.685 7.406 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.614 -13.214 6.680 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.672 -15.677 6.309 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.475 -14.841 4.995 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.460 -15.354 5.391 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.455 -15.284 3.898 1.00 0.00 H new ATOM 847 N ASP A 57 1.131 -11.957 6.815 1.00 0.00 N ATOM 848 CA ASP A 57 1.991 -11.115 7.637 1.00 0.00 C ATOM 849 C ASP A 57 2.544 -9.948 6.823 1.00 0.00 C ATOM 850 O ASP A 57 2.724 -8.846 7.342 1.00 0.00 O ATOM 851 CB ASP A 57 3.139 -11.940 8.222 1.00 0.00 C ATOM 852 CG ASP A 57 2.950 -12.227 9.699 1.00 0.00 C ATOM 853 OD1 ASP A 57 1.794 -12.184 10.169 1.00 0.00 O ATOM 854 OD2 ASP A 57 3.959 -12.496 10.384 1.00 0.00 O ATOM 0 H ASP A 57 1.535 -12.861 6.572 1.00 0.00 H new ATOM 0 HA ASP A 57 1.393 -10.712 8.455 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.220 -12.882 7.679 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.078 -11.406 8.076 1.00 0.00 H new ATOM 859 N LYS A 58 2.810 -10.200 5.546 1.00 0.00 N ATOM 860 CA LYS A 58 3.343 -9.171 4.658 1.00 0.00 C ATOM 861 C LYS A 58 2.329 -8.051 4.453 1.00 0.00 C ATOM 862 O LYS A 58 2.671 -6.870 4.528 1.00 0.00 O ATOM 863 CB LYS A 58 3.724 -9.783 3.309 1.00 0.00 C ATOM 864 CG LYS A 58 4.755 -10.895 3.415 1.00 0.00 C ATOM 865 CD LYS A 58 4.632 -11.880 2.266 1.00 0.00 C ATOM 866 CE LYS A 58 5.653 -11.597 1.176 1.00 0.00 C ATOM 867 NZ LYS A 58 6.284 -12.846 0.667 1.00 0.00 N ATOM 0 H LYS A 58 2.666 -11.107 5.102 1.00 0.00 H new ATOM 0 HA LYS A 58 4.234 -8.749 5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.826 -10.175 2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.113 -8.998 2.660 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.756 -10.465 3.421 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.628 -11.421 4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.769 -12.895 2.639 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.627 -11.828 1.847 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.168 -11.073 0.352 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.425 -10.933 1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.974 -12.609 -0.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.769 -13.333 1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.551 -13.469 0.272 1.00 0.00 H new ATOM 881 N VAL A 59 1.082 -8.427 4.192 1.00 0.00 N ATOM 882 CA VAL A 59 0.018 -7.452 3.974 1.00 0.00 C ATOM 883 C VAL A 59 -0.143 -6.533 5.180 1.00 0.00 C ATOM 884 O VAL A 59 -0.181 -5.311 5.042 1.00 0.00 O ATOM 885 CB VAL A 59 -1.329 -8.142 3.688 1.00 0.00 C ATOM 886 CG1 VAL A 59 -2.364 -7.125 3.233 1.00 0.00 C ATOM 887 CG2 VAL A 59 -1.158 -9.241 2.649 1.00 0.00 C ATOM 0 H VAL A 59 0.782 -9.400 4.126 1.00 0.00 H new ATOM 0 HA VAL A 59 0.307 -6.861 3.105 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.684 -8.600 4.611 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.309 -7.631 3.036 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.508 -6.378 4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.018 -6.636 2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.121 -9.717 2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.779 -8.810 1.723 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.452 -9.985 3.019 1.00 0.00 H new ATOM 897 N ARG A 60 -0.236 -7.131 6.364 1.00 0.00 N ATOM 898 CA ARG A 60 -0.394 -6.367 7.596 1.00 0.00 C ATOM 899 C ARG A 60 0.820 -5.480 7.850 1.00 0.00 C ATOM 900 O ARG A 60 0.709 -4.421 8.468 1.00 0.00 O ATOM 901 CB ARG A 60 -0.606 -7.312 8.781 1.00 0.00 C ATOM 902 CG ARG A 60 -1.534 -6.753 9.846 1.00 0.00 C ATOM 903 CD ARG A 60 -1.248 -7.362 11.209 1.00 0.00 C ATOM 904 NE ARG A 60 -2.171 -6.874 12.231 1.00 0.00 N ATOM 905 CZ ARG A 60 -3.411 -7.330 12.389 1.00 0.00 C ATOM 906 NH1 ARG A 60 -3.882 -8.284 11.595 1.00 0.00 N ATOM 907 NH2 ARG A 60 -4.183 -6.832 13.344 1.00 0.00 N ATOM 0 H ARG A 60 -0.205 -8.142 6.496 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.270 -5.727 7.486 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.013 -8.255 8.415 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.360 -7.536 9.234 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.419 -5.670 9.899 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.569 -6.950 9.568 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.321 -8.448 11.143 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.225 -7.128 11.503 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.846 -6.140 12.861 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.292 -8.672 10.859 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.833 -8.629 11.721 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.827 -6.099 13.958 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.134 -7.181 13.465 1.00 0.00 H new ATOM 921 N LYS A 61 1.980 -5.920 7.371 1.00 0.00 N ATOM 922 CA LYS A 61 3.215 -5.164 7.549 1.00 0.00 C ATOM 923 C LYS A 61 3.194 -3.879 6.730 1.00 0.00 C ATOM 924 O LYS A 61 3.544 -2.809 7.227 1.00 0.00 O ATOM 925 CB LYS A 61 4.421 -6.019 7.149 1.00 0.00 C ATOM 926 CG LYS A 61 5.757 -5.340 7.402 1.00 0.00 C ATOM 927 CD LYS A 61 5.941 -5.002 8.872 1.00 0.00 C ATOM 928 CE LYS A 61 5.978 -6.256 9.732 1.00 0.00 C ATOM 929 NZ LYS A 61 4.660 -6.532 10.368 1.00 0.00 N ATOM 0 H LYS A 61 2.090 -6.794 6.858 1.00 0.00 H new ATOM 0 HA LYS A 61 3.298 -4.897 8.603 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.390 -6.958 7.701 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.344 -6.269 6.091 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.566 -5.993 7.074 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.821 -4.429 6.807 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.866 -4.441 9.004 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.127 -4.357 9.203 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.271 -7.108 9.119 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.738 -6.144 10.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.809 -6.925 11.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.117 -5.648 10.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.132 -7.217 9.790 1.00 0.00 H new ATOM 943 N ILE A 62 2.782 -3.989 5.472 1.00 0.00 N ATOM 944 CA ILE A 62 2.716 -2.834 4.585 1.00 0.00 C ATOM 945 C ILE A 62 1.714 -1.804 5.100 1.00 0.00 C ATOM 946 O ILE A 62 2.006 -0.610 5.149 1.00 0.00 O ATOM 947 CB ILE A 62 2.327 -3.245 3.151 1.00 0.00 C ATOM 948 CG1 ILE A 62 3.281 -4.320 2.630 1.00 0.00 C ATOM 949 CG2 ILE A 62 2.331 -2.035 2.227 1.00 0.00 C ATOM 950 CD1 ILE A 62 2.806 -4.985 1.356 1.00 0.00 C ATOM 0 H ILE A 62 2.489 -4.867 5.043 1.00 0.00 H new ATOM 0 HA ILE A 62 3.712 -2.391 4.567 1.00 0.00 H new ATOM 0 HB ILE A 62 1.318 -3.656 3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.259 -3.872 2.453 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.413 -5.081 3.400 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.054 -2.346 1.220 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.614 -1.298 2.589 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.328 -1.594 2.209 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.532 -5.736 1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.842 -5.463 1.532 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.701 -4.235 0.572 1.00 0.00 H new ATOM 962 N LEU A 63 0.531 -2.277 5.483 1.00 0.00 N ATOM 963 CA LEU A 63 -0.515 -1.398 5.995 1.00 0.00 C ATOM 964 C LEU A 63 -0.017 -0.595 7.194 1.00 0.00 C ATOM 965 O LEU A 63 -0.303 0.596 7.317 1.00 0.00 O ATOM 966 CB LEU A 63 -1.747 -2.213 6.390 1.00 0.00 C ATOM 967 CG LEU A 63 -2.329 -3.087 5.278 1.00 0.00 C ATOM 968 CD1 LEU A 63 -3.175 -4.207 5.867 1.00 0.00 C ATOM 969 CD2 LEU A 63 -3.153 -2.245 4.315 1.00 0.00 C ATOM 0 H LEU A 63 0.273 -3.263 5.448 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.787 -0.701 5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.486 -2.851 7.234 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.521 -1.528 6.736 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.504 -3.535 4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.581 -4.819 5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.557 -4.827 6.517 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.994 -3.779 6.445 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.560 -2.883 3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.971 -1.769 4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.520 -1.479 3.868 1.00 0.00 H new ATOM 981 N ASP A 64 0.728 -1.255 8.074 1.00 0.00 N ATOM 982 CA ASP A 64 1.265 -0.600 9.261 1.00 0.00 C ATOM 983 C ASP A 64 2.357 0.396 8.885 1.00 0.00 C ATOM 984 O ASP A 64 2.546 1.409 9.558 1.00 0.00 O ATOM 985 CB ASP A 64 1.822 -1.641 10.235 1.00 0.00 C ATOM 986 CG ASP A 64 1.662 -1.221 11.682 1.00 0.00 C ATOM 987 OD1 ASP A 64 2.101 -0.104 12.028 1.00 0.00 O ATOM 988 OD2 ASP A 64 1.100 -2.010 12.471 1.00 0.00 O ATOM 0 H ASP A 64 0.973 -2.241 7.988 1.00 0.00 H new ATOM 0 HA ASP A 64 0.453 -0.057 9.745 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.313 -2.592 10.077 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.878 -1.806 10.022 1.00 0.00 H new ATOM 993 N LEU A 65 3.074 0.101 7.805 1.00 0.00 N ATOM 994 CA LEU A 65 4.147 0.971 7.338 1.00 0.00 C ATOM 995 C LEU A 65 3.583 2.236 6.699 1.00 0.00 C ATOM 996 O LEU A 65 3.984 3.348 7.041 1.00 0.00 O ATOM 997 CB LEU A 65 5.033 0.229 6.335 1.00 0.00 C ATOM 998 CG LEU A 65 5.950 -0.834 6.942 1.00 0.00 C ATOM 999 CD1 LEU A 65 6.636 -1.636 5.847 1.00 0.00 C ATOM 1000 CD2 LEU A 65 6.978 -0.189 7.858 1.00 0.00 C ATOM 0 H LEU A 65 2.931 -0.734 7.237 1.00 0.00 H new ATOM 0 HA LEU A 65 4.749 1.259 8.200 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.394 -0.247 5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.648 0.958 5.807 1.00 0.00 H new ATOM 0 HG LEU A 65 5.342 -1.517 7.535 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.284 -2.387 6.298 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.884 -2.129 5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.233 -0.968 5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.622 -0.960 8.281 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.582 0.516 7.287 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.467 0.340 8.663 1.00 0.00 H new ATOM 1012 N VAL A 66 2.652 2.057 5.768 1.00 0.00 N ATOM 1013 CA VAL A 66 2.032 3.184 5.081 1.00 0.00 C ATOM 1014 C VAL A 66 1.365 4.134 6.070 1.00 0.00 C ATOM 1015 O VAL A 66 1.285 5.339 5.832 1.00 0.00 O ATOM 1016 CB VAL A 66 0.983 2.710 4.056 1.00 0.00 C ATOM 1017 CG1 VAL A 66 0.473 3.880 3.228 1.00 0.00 C ATOM 1018 CG2 VAL A 66 1.563 1.624 3.160 1.00 0.00 C ATOM 0 H VAL A 66 2.310 1.143 5.472 1.00 0.00 H new ATOM 0 HA VAL A 66 2.830 3.711 4.557 1.00 0.00 H new ATOM 0 HB VAL A 66 0.138 2.287 4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.266 3.523 2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.014 4.618 3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.305 4.338 2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.808 1.302 2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.427 2.017 2.625 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.870 0.774 3.770 1.00 0.00 H new ATOM 1028 N GLN A 67 0.889 3.583 7.182 1.00 0.00 N ATOM 1029 CA GLN A 67 0.229 4.381 8.209 1.00 0.00 C ATOM 1030 C GLN A 67 1.211 5.349 8.861 1.00 0.00 C ATOM 1031 O GLN A 67 0.844 6.463 9.234 1.00 0.00 O ATOM 1032 CB GLN A 67 -0.391 3.472 9.271 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.626 2.728 8.788 1.00 0.00 C ATOM 1034 CD GLN A 67 -1.894 1.465 9.584 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -1.258 1.215 10.609 1.00 0.00 O ATOM 1036 NE2 GLN A 67 -2.841 0.661 9.115 1.00 0.00 N ATOM 0 H GLN A 67 0.948 2.587 7.395 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.561 4.961 7.731 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.355 2.748 9.598 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.656 4.072 10.142 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.492 3.386 8.856 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.503 2.471 7.736 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.343 0.908 8.262 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.067 -0.203 9.608 1.00 0.00 H new ATOM 1045 N SER A 68 2.460 4.915 8.999 1.00 0.00 N ATOM 1046 CA SER A 68 3.493 5.744 9.608 1.00 0.00 C ATOM 1047 C SER A 68 4.009 6.784 8.619 1.00 0.00 C ATOM 1048 O SER A 68 4.377 7.894 9.007 1.00 0.00 O ATOM 1049 CB SER A 68 4.651 4.873 10.099 1.00 0.00 C ATOM 1050 OG SER A 68 5.749 5.669 10.512 1.00 0.00 O ATOM 0 H SER A 68 2.781 3.995 8.697 1.00 0.00 H new ATOM 0 HA SER A 68 3.052 6.264 10.458 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.316 4.251 10.929 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.966 4.199 9.303 1.00 0.00 H new ATOM 0 HG SER A 68 6.475 5.089 10.823 1.00 0.00 H new ATOM 1056 N LYS A 69 4.032 6.419 7.342 1.00 0.00 N ATOM 1057 CA LYS A 69 4.504 7.322 6.297 1.00 0.00 C ATOM 1058 C LYS A 69 3.631 8.570 6.223 1.00 0.00 C ATOM 1059 O LYS A 69 4.124 9.670 5.970 1.00 0.00 O ATOM 1060 CB LYS A 69 4.514 6.609 4.945 1.00 0.00 C ATOM 1061 CG LYS A 69 5.443 5.406 4.899 1.00 0.00 C ATOM 1062 CD LYS A 69 5.539 4.830 3.496 1.00 0.00 C ATOM 1063 CE LYS A 69 6.588 3.733 3.417 1.00 0.00 C ATOM 1064 NZ LYS A 69 7.899 4.177 3.965 1.00 0.00 N ATOM 0 H LYS A 69 3.730 5.505 7.005 1.00 0.00 H new ATOM 0 HA LYS A 69 5.521 7.627 6.545 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.501 6.285 4.707 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.812 7.317 4.172 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.435 5.698 5.242 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.081 4.639 5.584 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.570 4.431 3.198 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.787 5.624 2.791 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.241 2.859 3.969 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.714 3.425 2.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.668 3.782 3.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.950 5.216 3.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.996 3.844 4.945 1.00 0.00 H new ATOM 1078 N GLY A 70 2.332 8.393 6.444 1.00 0.00 N ATOM 1079 CA GLY A 70 1.412 9.515 6.398 1.00 0.00 C ATOM 1080 C GLY A 70 0.361 9.362 5.316 1.00 0.00 C ATOM 1081 O GLY A 70 0.313 8.342 4.628 1.00 0.00 O ATOM 0 H GLY A 70 1.900 7.493 6.654 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.920 9.617 7.365 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.973 10.434 6.227 1.00 0.00 H new ATOM 1085 N GLU A 71 -0.483 10.378 5.166 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.539 10.353 4.161 1.00 0.00 C ATOM 1087 C GLU A 71 -0.961 10.474 2.754 1.00 0.00 C ATOM 1088 O GLU A 71 -1.557 10.006 1.785 1.00 0.00 O ATOM 1089 CB GLU A 71 -2.537 11.484 4.413 1.00 0.00 C ATOM 1090 CG GLU A 71 -3.526 11.186 5.529 1.00 0.00 C ATOM 1091 CD GLU A 71 -4.623 12.229 5.629 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -4.417 13.241 6.331 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -5.688 12.031 5.007 1.00 0.00 O ATOM 0 H GLU A 71 -0.456 11.229 5.728 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.055 9.396 4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.988 12.393 4.658 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.088 11.682 3.494 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.975 10.207 5.360 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.992 11.133 6.478 1.00 0.00 H new ATOM 1100 N GLU A 72 0.206 11.106 2.650 1.00 0.00 N ATOM 1101 CA GLU A 72 0.865 11.288 1.360 1.00 0.00 C ATOM 1102 C GLU A 72 1.074 9.949 0.658 1.00 0.00 C ATOM 1103 O GLU A 72 1.075 9.875 -0.571 1.00 0.00 O ATOM 1104 CB GLU A 72 2.207 11.998 1.548 1.00 0.00 C ATOM 1105 CG GLU A 72 2.191 13.455 1.111 1.00 0.00 C ATOM 1106 CD GLU A 72 3.433 13.846 0.336 1.00 0.00 C ATOM 1107 OE1 GLU A 72 4.463 14.145 0.975 1.00 0.00 O ATOM 1108 OE2 GLU A 72 3.376 13.852 -0.913 1.00 0.00 O ATOM 0 H GLU A 72 0.714 11.500 3.442 1.00 0.00 H new ATOM 0 HA GLU A 72 0.220 11.904 0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.492 11.946 2.599 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.972 11.466 0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.311 13.635 0.494 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.100 14.093 1.990 1.00 0.00 H new ATOM 1115 N VAL A 73 1.252 8.894 1.447 1.00 0.00 N ATOM 1116 CA VAL A 73 1.462 7.560 0.899 1.00 0.00 C ATOM 1117 C VAL A 73 0.182 6.732 0.962 1.00 0.00 C ATOM 1118 O VAL A 73 -0.054 5.871 0.115 1.00 0.00 O ATOM 1119 CB VAL A 73 2.579 6.812 1.652 1.00 0.00 C ATOM 1120 CG1 VAL A 73 2.921 5.509 0.944 1.00 0.00 C ATOM 1121 CG2 VAL A 73 3.811 7.692 1.790 1.00 0.00 C ATOM 0 H VAL A 73 1.255 8.938 2.466 1.00 0.00 H new ATOM 0 HA VAL A 73 1.759 7.690 -0.142 1.00 0.00 H new ATOM 0 HB VAL A 73 2.220 6.571 2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.712 4.995 1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.036 4.874 0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.261 5.724 -0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.589 7.147 2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.175 7.967 0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.553 8.594 2.345 1.00 0.00 H new ATOM 1131 N SER A 74 -0.641 7.000 1.971 1.00 0.00 N ATOM 1132 CA SER A 74 -1.896 6.280 2.144 1.00 0.00 C ATOM 1133 C SER A 74 -2.821 6.504 0.951 1.00 0.00 C ATOM 1134 O SER A 74 -3.518 5.589 0.513 1.00 0.00 O ATOM 1135 CB SER A 74 -2.591 6.724 3.432 1.00 0.00 C ATOM 1136 OG SER A 74 -3.419 5.696 3.947 1.00 0.00 O ATOM 0 H SER A 74 -0.461 7.710 2.680 1.00 0.00 H new ATOM 0 HA SER A 74 -1.668 5.216 2.211 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.843 6.999 4.176 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.190 7.614 3.237 1.00 0.00 H new ATOM 0 HG SER A 74 -4.320 5.783 3.572 1.00 0.00 H new ATOM 1142 N GLU A 75 -2.822 7.727 0.431 1.00 0.00 N ATOM 1143 CA GLU A 75 -3.661 8.071 -0.711 1.00 0.00 C ATOM 1144 C GLU A 75 -3.247 7.280 -1.949 1.00 0.00 C ATOM 1145 O GLU A 75 -4.092 6.771 -2.684 1.00 0.00 O ATOM 1146 CB GLU A 75 -3.577 9.571 -0.999 1.00 0.00 C ATOM 1147 CG GLU A 75 -4.648 10.067 -1.957 1.00 0.00 C ATOM 1148 CD GLU A 75 -5.278 11.369 -1.505 1.00 0.00 C ATOM 1149 OE1 GLU A 75 -4.558 12.203 -0.915 1.00 0.00 O ATOM 1150 OE2 GLU A 75 -6.490 11.557 -1.741 1.00 0.00 O ATOM 0 H GLU A 75 -2.251 8.496 0.782 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.691 7.812 -0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.660 10.118 -0.060 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.596 9.798 -1.415 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.210 10.204 -2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.423 9.307 -2.054 1.00 0.00 H new ATOM 1157 N PHE A 76 -1.940 7.182 -2.171 1.00 0.00 N ATOM 1158 CA PHE A 76 -1.413 6.452 -3.320 1.00 0.00 C ATOM 1159 C PHE A 76 -1.577 4.948 -3.132 1.00 0.00 C ATOM 1160 O PHE A 76 -1.938 4.231 -4.064 1.00 0.00 O ATOM 1161 CB PHE A 76 0.061 6.795 -3.534 1.00 0.00 C ATOM 1162 CG PHE A 76 0.608 6.298 -4.842 1.00 0.00 C ATOM 1163 CD1 PHE A 76 0.206 6.870 -6.037 1.00 0.00 C ATOM 1164 CD2 PHE A 76 1.524 5.260 -4.875 1.00 0.00 C ATOM 1165 CE1 PHE A 76 0.706 6.414 -7.242 1.00 0.00 C ATOM 1166 CE2 PHE A 76 2.029 4.800 -6.076 1.00 0.00 C ATOM 1167 CZ PHE A 76 1.619 5.378 -7.262 1.00 0.00 C ATOM 0 H PHE A 76 -1.227 7.598 -1.572 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.980 6.752 -4.201 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.185 7.877 -3.485 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.647 6.370 -2.719 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.506 7.682 -6.027 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.848 4.804 -3.951 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.383 6.868 -8.167 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.743 3.990 -6.088 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.012 5.021 -8.202 1.00 0.00 H new ATOM 1177 N PHE A 77 -1.306 4.475 -1.919 1.00 0.00 N ATOM 1178 CA PHE A 77 -1.423 3.055 -1.608 1.00 0.00 C ATOM 1179 C PHE A 77 -2.850 2.564 -1.830 1.00 0.00 C ATOM 1180 O PHE A 77 -3.071 1.403 -2.172 1.00 0.00 O ATOM 1181 CB PHE A 77 -0.999 2.793 -0.162 1.00 0.00 C ATOM 1182 CG PHE A 77 -0.856 1.334 0.167 1.00 0.00 C ATOM 1183 CD1 PHE A 77 0.205 0.597 -0.338 1.00 0.00 C ATOM 1184 CD2 PHE A 77 -1.779 0.699 0.983 1.00 0.00 C ATOM 1185 CE1 PHE A 77 0.340 -0.745 -0.036 1.00 0.00 C ATOM 1186 CE2 PHE A 77 -1.649 -0.642 1.287 1.00 0.00 C ATOM 1187 CZ PHE A 77 -0.588 -1.365 0.777 1.00 0.00 C ATOM 0 H PHE A 77 -1.004 5.055 -1.136 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.762 2.506 -2.279 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.050 3.294 0.026 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.733 3.238 0.510 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.934 1.077 -0.974 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.610 1.259 1.386 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.170 -1.308 -0.436 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.376 -1.125 1.923 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.485 -2.414 1.014 1.00 0.00 H new ATOM 1197 N LEU A 78 -3.815 3.456 -1.632 1.00 0.00 N ATOM 1198 CA LEU A 78 -5.222 3.113 -1.810 1.00 0.00 C ATOM 1199 C LEU A 78 -5.626 3.207 -3.278 1.00 0.00 C ATOM 1200 O LEU A 78 -6.511 2.483 -3.735 1.00 0.00 O ATOM 1201 CB LEU A 78 -6.103 4.035 -0.966 1.00 0.00 C ATOM 1202 CG LEU A 78 -6.166 3.689 0.522 1.00 0.00 C ATOM 1203 CD1 LEU A 78 -6.375 4.945 1.354 1.00 0.00 C ATOM 1204 CD2 LEU A 78 -7.273 2.679 0.788 1.00 0.00 C ATOM 0 H LEU A 78 -3.649 4.422 -1.348 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.363 2.084 -1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.738 5.057 -1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.115 4.016 -1.371 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.216 3.241 0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.417 4.679 2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.548 5.634 1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.310 5.423 1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.303 2.444 1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.231 3.100 0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.079 1.769 0.221 1.00 0.00 H new ATOM 1216 N TYR A 79 -4.974 4.102 -4.012 1.00 0.00 N ATOM 1217 CA TYR A 79 -5.267 4.290 -5.428 1.00 0.00 C ATOM 1218 C TYR A 79 -4.848 3.067 -6.239 1.00 0.00 C ATOM 1219 O TYR A 79 -5.579 2.617 -7.122 1.00 0.00 O ATOM 1220 CB TYR A 79 -4.553 5.536 -5.957 1.00 0.00 C ATOM 1221 CG TYR A 79 -5.301 6.236 -7.069 1.00 0.00 C ATOM 1222 CD1 TYR A 79 -5.399 5.665 -8.333 1.00 0.00 C ATOM 1223 CD2 TYR A 79 -5.908 7.467 -6.858 1.00 0.00 C ATOM 1224 CE1 TYR A 79 -6.081 6.301 -9.352 1.00 0.00 C ATOM 1225 CE2 TYR A 79 -6.592 8.110 -7.872 1.00 0.00 C ATOM 1226 CZ TYR A 79 -6.675 7.522 -9.117 1.00 0.00 C ATOM 1227 OH TYR A 79 -7.355 8.160 -10.130 1.00 0.00 O ATOM 0 H TYR A 79 -4.239 4.709 -3.650 1.00 0.00 H new ATOM 0 HA TYR A 79 -6.344 4.423 -5.535 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.403 6.236 -5.135 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.564 5.252 -6.318 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -4.934 4.708 -8.521 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.844 7.930 -5.884 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -6.148 5.844 -10.328 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -7.059 9.067 -7.691 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.715 9.009 -9.798 1.00 0.00 H new ATOM 1237 N LEU A 80 -3.669 2.536 -5.935 1.00 0.00 N ATOM 1238 CA LEU A 80 -3.153 1.366 -6.637 1.00 0.00 C ATOM 1239 C LEU A 80 -4.111 0.185 -6.504 1.00 0.00 C ATOM 1240 O LEU A 80 -4.260 -0.613 -7.429 1.00 0.00 O ATOM 1241 CB LEU A 80 -1.776 0.984 -6.091 1.00 0.00 C ATOM 1242 CG LEU A 80 -0.596 1.673 -6.779 1.00 0.00 C ATOM 1243 CD1 LEU A 80 0.669 1.519 -5.949 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -0.391 1.109 -8.176 1.00 0.00 C ATOM 0 H LEU A 80 -3.052 2.897 -5.207 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.060 1.619 -7.693 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.745 1.219 -5.027 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.652 -0.095 -6.183 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.821 2.736 -6.867 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.498 2.015 -6.454 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.518 1.971 -4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.899 0.460 -5.829 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.452 1.611 -8.651 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.188 0.040 -8.111 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.291 1.271 -8.770 1.00 0.00 H new ATOM 1256 N LEU A 81 -4.758 0.083 -5.349 1.00 0.00 N ATOM 1257 CA LEU A 81 -5.703 -0.998 -5.094 1.00 0.00 C ATOM 1258 C LEU A 81 -6.864 -0.958 -6.085 1.00 0.00 C ATOM 1259 O LEU A 81 -7.533 -1.967 -6.311 1.00 0.00 O ATOM 1260 CB LEU A 81 -6.238 -0.909 -3.662 1.00 0.00 C ATOM 1261 CG LEU A 81 -5.410 -1.654 -2.614 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -5.514 -0.963 -1.263 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -5.862 -3.103 -2.510 1.00 0.00 C ATOM 0 H LEU A 81 -4.646 0.736 -4.574 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.175 -1.943 -5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.297 0.141 -3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.255 -1.301 -3.645 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.366 -1.641 -2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.919 -1.507 -0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.142 0.058 -1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.556 -0.945 -0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.262 -3.618 -1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.912 -3.137 -2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.736 -3.594 -3.475 1.00 0.00 H new ATOM 1275 N GLN A 82 -7.100 0.211 -6.672 1.00 0.00 N ATOM 1276 CA GLN A 82 -8.183 0.377 -7.636 1.00 0.00 C ATOM 1277 C GLN A 82 -7.777 -0.140 -9.013 1.00 0.00 C ATOM 1278 O GLN A 82 -8.495 -0.927 -9.628 1.00 0.00 O ATOM 1279 CB GLN A 82 -8.588 1.851 -7.728 1.00 0.00 C ATOM 1280 CG GLN A 82 -10.063 2.094 -7.456 1.00 0.00 C ATOM 1281 CD GLN A 82 -10.401 3.567 -7.350 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -11.222 4.084 -8.109 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -9.768 4.254 -6.406 1.00 0.00 N ATOM 0 H GLN A 82 -6.557 1.057 -6.498 1.00 0.00 H new ATOM 0 HA GLN A 82 -9.035 -0.208 -7.290 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -7.996 2.427 -7.017 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.344 2.225 -8.722 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.655 1.646 -8.254 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.345 1.593 -6.530 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.095 3.786 -5.799 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.955 5.250 -6.288 1.00 0.00 H new ATOM 1292 N GLN A 83 -6.622 0.309 -9.493 1.00 0.00 N ATOM 1293 CA GLN A 83 -6.122 -0.108 -10.798 1.00 0.00 C ATOM 1294 C GLN A 83 -5.753 -1.589 -10.797 1.00 0.00 C ATOM 1295 O GLN A 83 -6.140 -2.336 -11.695 1.00 0.00 O ATOM 1296 CB GLN A 83 -4.906 0.731 -11.194 1.00 0.00 C ATOM 1297 CG GLN A 83 -5.266 2.090 -11.771 1.00 0.00 C ATOM 1298 CD GLN A 83 -4.077 3.029 -11.838 1.00 0.00 C ATOM 1299 OE1 GLN A 83 -3.475 3.211 -12.897 1.00 0.00 O ATOM 1300 NE2 GLN A 83 -3.731 3.628 -10.705 1.00 0.00 N ATOM 0 H GLN A 83 -6.015 0.962 -8.998 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.917 0.048 -11.527 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.273 0.874 -10.318 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.317 0.179 -11.927 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -5.677 1.958 -12.772 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.048 2.543 -11.162 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.259 3.448 -9.851 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.938 4.269 -10.689 1.00 0.00 H new ATOM 1309 N LEU A 84 -5.001 -2.005 -9.784 1.00 0.00 N ATOM 1310 CA LEU A 84 -4.576 -3.395 -9.666 1.00 0.00 C ATOM 1311 C LEU A 84 -5.777 -4.330 -9.552 1.00 0.00 C ATOM 1312 O LEU A 84 -5.707 -5.494 -9.944 1.00 0.00 O ATOM 1313 CB LEU A 84 -3.663 -3.570 -8.451 1.00 0.00 C ATOM 1314 CG LEU A 84 -2.263 -2.974 -8.604 1.00 0.00 C ATOM 1315 CD1 LEU A 84 -1.522 -3.006 -7.276 1.00 0.00 C ATOM 1316 CD2 LEU A 84 -1.479 -3.723 -9.671 1.00 0.00 C ATOM 0 H LEU A 84 -4.673 -1.399 -9.032 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.024 -3.654 -10.569 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.143 -3.113 -7.586 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.567 -4.635 -8.238 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.363 -1.935 -8.917 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.528 -2.578 -7.404 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.075 -2.426 -6.537 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.432 -4.037 -6.934 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.485 -3.286 -9.767 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.388 -4.771 -9.387 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.001 -3.649 -10.625 1.00 0.00 H new ATOM 1328 N ALA A 85 -6.878 -3.815 -9.010 1.00 0.00 N ATOM 1329 CA ALA A 85 -8.091 -4.607 -8.843 1.00 0.00 C ATOM 1330 C ALA A 85 -8.513 -5.264 -10.154 1.00 0.00 C ATOM 1331 O ALA A 85 -9.137 -6.325 -10.155 1.00 0.00 O ATOM 1332 CB ALA A 85 -9.217 -3.739 -8.302 1.00 0.00 C ATOM 0 H ALA A 85 -6.954 -2.853 -8.679 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.876 -5.400 -8.126 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.116 -4.343 -8.182 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -8.926 -3.326 -7.336 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.416 -2.925 -8.999 1.00 0.00 H new ATOM 1338 N ASP A 86 -8.168 -4.627 -11.270 1.00 0.00 N ATOM 1339 CA ASP A 86 -8.512 -5.153 -12.586 1.00 0.00 C ATOM 1340 C ASP A 86 -7.892 -6.530 -12.802 1.00 0.00 C ATOM 1341 O ASP A 86 -8.437 -7.360 -13.529 1.00 0.00 O ATOM 1342 CB ASP A 86 -8.044 -4.193 -13.681 1.00 0.00 C ATOM 1343 CG ASP A 86 -8.975 -4.182 -14.877 1.00 0.00 C ATOM 1344 OD1 ASP A 86 -9.222 -5.266 -15.447 1.00 0.00 O ATOM 1345 OD2 ASP A 86 -9.458 -3.091 -15.245 1.00 0.00 O ATOM 0 H ASP A 86 -7.652 -3.748 -11.288 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.596 -5.251 -12.637 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.972 -3.186 -13.271 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.043 -4.477 -14.006 1.00 0.00 H new ATOM 1350 N ALA A 87 -6.748 -6.766 -12.166 1.00 0.00 N ATOM 1351 CA ALA A 87 -6.054 -8.041 -12.289 1.00 0.00 C ATOM 1352 C ALA A 87 -6.384 -8.961 -11.118 1.00 0.00 C ATOM 1353 O ALA A 87 -6.466 -10.180 -11.277 1.00 0.00 O ATOM 1354 CB ALA A 87 -4.551 -7.817 -12.380 1.00 0.00 C ATOM 0 H ALA A 87 -6.283 -6.090 -11.560 1.00 0.00 H new ATOM 0 HA ALA A 87 -6.394 -8.525 -13.204 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.045 -8.778 -12.472 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.327 -7.204 -13.253 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.204 -7.308 -11.481 1.00 0.00 H new ATOM 1360 N TYR A 88 -6.570 -8.370 -9.942 1.00 0.00 N ATOM 1361 CA TYR A 88 -6.892 -9.136 -8.744 1.00 0.00 C ATOM 1362 C TYR A 88 -8.317 -9.673 -8.807 1.00 0.00 C ATOM 1363 O TYR A 88 -9.142 -9.186 -9.581 1.00 0.00 O ATOM 1364 CB TYR A 88 -6.718 -8.267 -7.496 1.00 0.00 C ATOM 1365 CG TYR A 88 -5.292 -8.200 -6.998 1.00 0.00 C ATOM 1366 CD1 TYR A 88 -4.342 -7.427 -7.654 1.00 0.00 C ATOM 1367 CD2 TYR A 88 -4.895 -8.909 -5.871 1.00 0.00 C ATOM 1368 CE1 TYR A 88 -3.038 -7.363 -7.203 1.00 0.00 C ATOM 1369 CE2 TYR A 88 -3.593 -8.850 -5.412 1.00 0.00 C ATOM 1370 CZ TYR A 88 -2.669 -8.075 -6.082 1.00 0.00 C ATOM 1371 OH TYR A 88 -1.371 -8.013 -5.628 1.00 0.00 O ATOM 0 H TYR A 88 -6.503 -7.363 -9.793 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.207 -9.982 -8.690 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.065 -7.257 -7.716 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.354 -8.657 -6.701 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.628 -6.866 -8.532 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -5.616 -9.517 -5.345 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.312 -6.758 -7.726 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.301 -9.407 -4.534 1.00 0.00 H new ATOM 0 HH TYR A 88 -1.364 -8.069 -4.650 1.00 0.00 H new ATOM 1381 N VAL A 89 -8.602 -10.680 -7.987 1.00 0.00 N ATOM 1382 CA VAL A 89 -9.929 -11.284 -7.949 1.00 0.00 C ATOM 1383 C VAL A 89 -10.503 -11.257 -6.536 1.00 0.00 C ATOM 1384 O VAL A 89 -11.279 -12.132 -6.153 1.00 0.00 O ATOM 1385 CB VAL A 89 -9.902 -12.740 -8.452 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -11.316 -13.262 -8.663 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -9.088 -12.849 -9.733 1.00 0.00 C ATOM 0 H VAL A 89 -7.931 -11.095 -7.340 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.563 -10.693 -8.610 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.423 -13.357 -7.691 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.275 -14.292 -9.018 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.862 -13.225 -7.720 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.826 -12.644 -9.402 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.081 -13.885 -10.072 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.534 -12.218 -10.502 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.066 -12.522 -9.543 1.00 0.00 H new ATOM 1397 N ASP A 90 -10.115 -10.246 -5.765 1.00 0.00 N ATOM 1398 CA ASP A 90 -10.591 -10.103 -4.393 1.00 0.00 C ATOM 1399 C ASP A 90 -11.029 -8.667 -4.116 1.00 0.00 C ATOM 1400 O ASP A 90 -12.088 -8.431 -3.535 1.00 0.00 O ATOM 1401 CB ASP A 90 -9.498 -10.515 -3.406 1.00 0.00 C ATOM 1402 CG ASP A 90 -9.594 -11.976 -3.014 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -10.727 -12.487 -2.899 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -8.534 -12.609 -2.820 1.00 0.00 O ATOM 0 H ASP A 90 -9.472 -9.514 -6.067 1.00 0.00 H new ATOM 0 HA ASP A 90 -11.453 -10.758 -4.263 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.521 -10.324 -3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.568 -9.896 -2.511 1.00 0.00 H new ATOM 1409 N LEU A 91 -10.207 -7.712 -4.540 1.00 0.00 N ATOM 1410 CA LEU A 91 -10.507 -6.301 -4.342 1.00 0.00 C ATOM 1411 C LEU A 91 -11.362 -5.763 -5.485 1.00 0.00 C ATOM 1412 O LEU A 91 -11.057 -5.985 -6.657 1.00 0.00 O ATOM 1413 CB LEU A 91 -9.213 -5.493 -4.234 1.00 0.00 C ATOM 1414 CG LEU A 91 -8.140 -6.107 -3.332 1.00 0.00 C ATOM 1415 CD1 LEU A 91 -6.771 -6.025 -3.993 1.00 0.00 C ATOM 1416 CD2 LEU A 91 -8.120 -5.415 -1.977 1.00 0.00 C ATOM 0 H LEU A 91 -9.327 -7.892 -5.023 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.068 -6.201 -3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.797 -5.366 -5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.454 -4.498 -3.861 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.384 -7.158 -3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.022 -6.467 -3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.790 -6.568 -4.938 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.519 -4.981 -4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.351 -5.865 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -7.903 -4.355 -2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.092 -5.528 -1.497 1.00 0.00 H new ATOM 1428 N ARG A 92 -12.434 -5.060 -5.136 1.00 0.00 N ATOM 1429 CA ARG A 92 -13.337 -4.493 -6.133 1.00 0.00 C ATOM 1430 C ARG A 92 -14.526 -3.808 -5.464 1.00 0.00 C ATOM 1431 O ARG A 92 -14.761 -2.616 -5.665 1.00 0.00 O ATOM 1432 CB ARG A 92 -13.831 -5.583 -7.088 1.00 0.00 C ATOM 1433 CG ARG A 92 -13.193 -5.521 -8.466 1.00 0.00 C ATOM 1434 CD ARG A 92 -13.096 -6.900 -9.099 1.00 0.00 C ATOM 1435 NE ARG A 92 -13.519 -6.892 -10.498 1.00 0.00 N ATOM 1436 CZ ARG A 92 -13.873 -7.983 -11.172 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -13.855 -9.171 -10.582 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -14.245 -7.886 -12.441 1.00 0.00 N ATOM 0 H ARG A 92 -12.700 -4.869 -4.170 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.784 -3.746 -6.703 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.629 -6.559 -6.647 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.913 -5.499 -7.194 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -13.779 -4.865 -9.110 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.197 -5.085 -8.387 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.068 -7.258 -9.033 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.714 -7.601 -8.538 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.544 -5.997 -10.986 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.569 -9.252 -9.606 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.128 -10.004 -11.104 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.260 -6.975 -12.900 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.516 -8.722 -12.958 1.00 0.00 H new ATOM 1452 N PRO A 93 -15.298 -4.558 -4.657 1.00 0.00 N ATOM 1453 CA PRO A 93 -16.467 -4.017 -3.961 1.00 0.00 C ATOM 1454 C PRO A 93 -16.084 -3.164 -2.756 1.00 0.00 C ATOM 1455 O PRO A 93 -16.830 -2.272 -2.353 1.00 0.00 O ATOM 1456 CB PRO A 93 -17.218 -5.271 -3.514 1.00 0.00 C ATOM 1457 CG PRO A 93 -16.159 -6.304 -3.346 1.00 0.00 C ATOM 1458 CD PRO A 93 -15.091 -5.989 -4.362 1.00 0.00 C ATOM 0 HA PRO A 93 -17.053 -3.355 -4.598 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -17.756 -5.100 -2.582 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -17.956 -5.577 -4.256 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.752 -6.282 -2.335 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -16.563 -7.304 -3.505 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -14.093 -6.175 -3.965 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -15.197 -6.602 -5.257 1.00 0.00 H new ATOM 1466 N TRP A 94 -14.916 -3.443 -2.186 1.00 0.00 N ATOM 1467 CA TRP A 94 -14.434 -2.699 -1.028 1.00 0.00 C ATOM 1468 C TRP A 94 -14.195 -1.235 -1.385 1.00 0.00 C ATOM 1469 O TRP A 94 -14.578 -0.334 -0.639 1.00 0.00 O ATOM 1470 CB TRP A 94 -13.144 -3.324 -0.494 1.00 0.00 C ATOM 1471 CG TRP A 94 -12.608 -2.635 0.723 1.00 0.00 C ATOM 1472 CD1 TRP A 94 -13.181 -2.594 1.962 1.00 0.00 C ATOM 1473 CD2 TRP A 94 -11.391 -1.885 0.819 1.00 0.00 C ATOM 1474 NE1 TRP A 94 -12.395 -1.865 2.821 1.00 0.00 N ATOM 1475 CE2 TRP A 94 -11.291 -1.419 2.144 1.00 0.00 C ATOM 1476 CE3 TRP A 94 -10.377 -1.562 -0.087 1.00 0.00 C ATOM 1477 CZ2 TRP A 94 -10.217 -0.650 2.583 1.00 0.00 C ATOM 1478 CZ3 TRP A 94 -9.311 -0.797 0.351 1.00 0.00 C ATOM 1479 CH2 TRP A 94 -9.238 -0.349 1.675 1.00 0.00 C ATOM 0 H TRP A 94 -14.286 -4.178 -2.507 1.00 0.00 H new ATOM 0 HA TRP A 94 -15.199 -2.746 -0.253 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -13.328 -4.372 -0.258 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -12.387 -3.302 -1.278 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -14.115 -3.066 2.228 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -12.600 -1.685 3.804 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.425 -1.903 -1.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -10.158 -0.303 3.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -8.522 -0.541 -0.340 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -8.392 0.246 1.986 1.00 0.00 H new ATOM 1490 N LEU A 95 -13.560 -1.006 -2.529 1.00 0.00 N ATOM 1491 CA LEU A 95 -13.270 0.348 -2.985 1.00 0.00 C ATOM 1492 C LEU A 95 -14.556 1.092 -3.332 1.00 0.00 C ATOM 1493 O LEU A 95 -14.652 2.305 -3.148 1.00 0.00 O ATOM 1494 CB LEU A 95 -12.344 0.312 -4.202 1.00 0.00 C ATOM 1495 CG LEU A 95 -10.993 -0.367 -3.969 1.00 0.00 C ATOM 1496 CD1 LEU A 95 -10.543 -1.108 -5.219 1.00 0.00 C ATOM 1497 CD2 LEU A 95 -9.949 0.658 -3.551 1.00 0.00 C ATOM 0 H LEU A 95 -13.236 -1.741 -3.158 1.00 0.00 H new ATOM 0 HA LEU A 95 -12.772 0.879 -2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -12.857 -0.203 -5.014 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -12.167 1.335 -4.535 1.00 0.00 H new ATOM 0 HG LEU A 95 -11.107 -1.093 -3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -9.580 -1.584 -5.033 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -11.280 -1.869 -5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -10.446 -0.403 -6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -8.994 0.159 -3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -9.839 1.406 -4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.265 1.144 -2.628 1.00 0.00 H new ATOM 1509 N LEU A 96 -15.541 0.356 -3.836 1.00 0.00 N ATOM 1510 CA LEU A 96 -16.821 0.945 -4.209 1.00 0.00 C ATOM 1511 C LEU A 96 -17.618 1.349 -2.972 1.00 0.00 C ATOM 1512 O LEU A 96 -18.377 2.317 -2.999 1.00 0.00 O ATOM 1513 CB LEU A 96 -17.633 -0.039 -5.053 1.00 0.00 C ATOM 1514 CG LEU A 96 -16.966 -0.476 -6.359 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -17.697 -1.667 -6.959 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -16.924 0.679 -7.347 1.00 0.00 C ATOM 0 H LEU A 96 -15.477 -0.649 -3.995 1.00 0.00 H new ATOM 0 HA LEU A 96 -16.621 1.840 -4.798 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.838 -0.926 -4.453 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -18.595 0.416 -5.289 1.00 0.00 H new ATOM 0 HG LEU A 96 -15.942 -0.778 -6.139 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.209 -1.964 -7.887 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -17.676 -2.499 -6.255 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -18.732 -1.393 -7.165 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -16.446 0.351 -8.270 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -17.940 1.011 -7.562 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -16.356 1.504 -6.918 1.00 0.00 H new ATOM 1528 N GLU A 97 -17.438 0.600 -1.890 1.00 0.00 N ATOM 1529 CA GLU A 97 -18.140 0.879 -0.642 1.00 0.00 C ATOM 1530 C GLU A 97 -17.633 2.173 -0.011 1.00 0.00 C ATOM 1531 O GLU A 97 -18.400 2.921 0.597 1.00 0.00 O ATOM 1532 CB GLU A 97 -17.964 -0.282 0.338 1.00 0.00 C ATOM 1533 CG GLU A 97 -19.047 -1.342 0.225 1.00 0.00 C ATOM 1534 CD GLU A 97 -19.181 -2.176 1.484 1.00 0.00 C ATOM 1535 OE1 GLU A 97 -18.154 -2.406 2.156 1.00 0.00 O ATOM 1536 OE2 GLU A 97 -20.314 -2.598 1.799 1.00 0.00 O ATOM 0 H GLU A 97 -16.812 -0.205 -1.851 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.200 0.996 -0.869 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -16.993 -0.747 0.167 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -17.955 0.110 1.355 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -20.001 -0.860 0.010 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -18.823 -1.996 -0.618 1.00 0.00 H new ATOM 1543 N ILE A 98 -16.339 2.432 -0.161 1.00 0.00 N ATOM 1544 CA ILE A 98 -15.730 3.635 0.393 1.00 0.00 C ATOM 1545 C ILE A 98 -15.960 4.836 -0.517 1.00 0.00 C ATOM 1546 O ILE A 98 -16.057 5.971 -0.051 1.00 0.00 O ATOM 1547 CB ILE A 98 -14.216 3.451 0.609 1.00 0.00 C ATOM 1548 CG1 ILE A 98 -13.531 3.087 -0.710 1.00 0.00 C ATOM 1549 CG2 ILE A 98 -13.956 2.383 1.660 1.00 0.00 C ATOM 1550 CD1 ILE A 98 -12.020 3.111 -0.633 1.00 0.00 C ATOM 0 H ILE A 98 -15.691 1.824 -0.662 1.00 0.00 H new ATOM 0 HA ILE A 98 -16.207 3.815 1.356 1.00 0.00 H new ATOM 0 HB ILE A 98 -13.798 4.392 0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -13.855 2.092 -1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -13.858 3.781 -1.484 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -12.882 2.265 1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -14.415 2.681 2.603 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -14.385 1.437 1.331 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.602 2.843 -1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -11.686 4.111 -0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -11.683 2.396 0.117 1.00 0.00 H new ATOM 1562 N GLY A 99 -16.047 4.578 -1.818 1.00 0.00 N ATOM 1563 CA GLY A 99 -16.264 5.649 -2.774 1.00 0.00 C ATOM 1564 C GLY A 99 -14.984 6.382 -3.125 1.00 0.00 C ATOM 1565 O GLY A 99 -14.919 7.607 -3.033 1.00 0.00 O ATOM 0 H GLY A 99 -15.971 3.647 -2.227 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.704 5.237 -3.682 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.984 6.357 -2.364 1.00 0.00 H new ATOM 1569 N PHE A 100 -13.965 5.630 -3.526 1.00 0.00 N ATOM 1570 CA PHE A 100 -12.680 6.216 -3.893 1.00 0.00 C ATOM 1571 C PHE A 100 -12.539 6.309 -5.408 1.00 0.00 C ATOM 1572 O PHE A 100 -12.589 5.298 -6.110 1.00 0.00 O ATOM 1573 CB PHE A 100 -11.534 5.386 -3.311 1.00 0.00 C ATOM 1574 CG PHE A 100 -10.315 6.198 -2.976 1.00 0.00 C ATOM 1575 CD1 PHE A 100 -9.720 7.004 -3.933 1.00 0.00 C ATOM 1576 CD2 PHE A 100 -9.766 6.155 -1.705 1.00 0.00 C ATOM 1577 CE1 PHE A 100 -8.598 7.752 -3.628 1.00 0.00 C ATOM 1578 CE2 PHE A 100 -8.645 6.900 -1.394 1.00 0.00 C ATOM 1579 CZ PHE A 100 -8.060 7.700 -2.357 1.00 0.00 C ATOM 0 H PHE A 100 -14.003 4.614 -3.605 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.635 7.224 -3.480 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.883 4.881 -2.410 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -11.259 4.610 -4.025 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -10.137 7.048 -4.928 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -10.220 5.532 -0.948 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.143 8.376 -4.383 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -8.226 6.857 -0.399 1.00 0.00 H new ATOM 0 HZ PHE A 100 -7.184 8.284 -2.116 1.00 0.00 H new