USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=15 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= -0.185 X(o=-0.18,f=0) USER MOD Set 1.2: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -2.34! C(o=-2.3!,f=-2.2!) USER MOD Single : A 10 HIS : no HE2:sc= 0.744 K(o=0.74,f=-2.3!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.529 K(o=0.53,f=-3.6!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.0721 X(o=-0.072,f=-0.51) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot -140:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.902 K(o=-0.9,f=-3.7!) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.134 X(o=0.13,f=-0.14) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -1.71 K(o=-1.7,f=-3.5!) USER MOD Single : A 40 TYR OH : rot 96:sc= 0.00911 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 94:sc= -3.49 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -1.46 K(o=-1.5,f=-5.2!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -126:sc= -0.229 (180deg=-1.75!) USER MOD Single : A 74 SER OG : rot -90:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot 173:sc= -0.0167 USER MOD ----------------------------------------------------------------- ATOM 68 N HIS A 8 -7.872 10.886 10.173 1.00 0.00 N ATOM 69 CA HIS A 8 -7.502 10.691 8.776 1.00 0.00 C ATOM 70 C HIS A 8 -8.453 9.705 8.095 1.00 0.00 C ATOM 71 O HIS A 8 -8.485 8.525 8.446 1.00 0.00 O ATOM 72 CB HIS A 8 -6.065 10.180 8.675 1.00 0.00 C ATOM 73 CG HIS A 8 -5.048 11.146 9.198 1.00 0.00 C ATOM 74 ND1 HIS A 8 -4.557 11.121 10.485 1.00 0.00 N ATOM 75 CD2 HIS A 8 -4.424 12.181 8.579 1.00 0.00 C ATOM 76 CE1 HIS A 8 -3.671 12.121 10.606 1.00 0.00 C ATOM 77 NE2 HIS A 8 -3.554 12.793 9.476 1.00 0.00 N ATOM 0 HA HIS A 8 -7.576 11.652 8.268 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.982 9.243 9.226 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.840 9.957 7.632 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -4.578 12.481 7.553 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.125 12.347 11.510 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -2.950 13.595 9.297 1.00 0.00 H new ATOM 85 N PRO A 9 -9.243 10.173 7.112 1.00 0.00 N ATOM 86 CA PRO A 9 -10.191 9.317 6.390 1.00 0.00 C ATOM 87 C PRO A 9 -9.491 8.291 5.507 1.00 0.00 C ATOM 88 O PRO A 9 -10.035 7.221 5.230 1.00 0.00 O ATOM 89 CB PRO A 9 -10.987 10.306 5.534 1.00 0.00 C ATOM 90 CG PRO A 9 -10.077 11.470 5.356 1.00 0.00 C ATOM 91 CD PRO A 9 -9.275 11.566 6.624 1.00 0.00 C ATOM 0 HA PRO A 9 -10.808 8.731 7.071 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.261 9.868 4.574 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.914 10.600 6.027 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.427 11.329 4.493 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.643 12.385 5.182 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.272 11.950 6.437 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.743 12.235 7.346 1.00 0.00 H new ATOM 99 N HIS A 10 -8.283 8.623 5.064 1.00 0.00 N ATOM 100 CA HIS A 10 -7.509 7.728 4.211 1.00 0.00 C ATOM 101 C HIS A 10 -6.760 6.693 5.043 1.00 0.00 C ATOM 102 O HIS A 10 -6.732 5.510 4.702 1.00 0.00 O ATOM 103 CB HIS A 10 -6.520 8.528 3.361 1.00 0.00 C ATOM 104 CG HIS A 10 -7.175 9.541 2.474 1.00 0.00 C ATOM 105 ND1 HIS A 10 -7.143 10.898 2.702 1.00 0.00 N ATOM 106 CD2 HIS A 10 -7.892 9.371 1.333 1.00 0.00 C ATOM 107 CE1 HIS A 10 -7.826 11.498 1.717 1.00 0.00 C ATOM 108 NE2 HIS A 10 -8.300 10.614 0.860 1.00 0.00 N ATOM 0 H HIS A 10 -7.819 9.505 5.281 1.00 0.00 H new ATOM 0 HA HIS A 10 -8.203 7.205 3.554 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.815 9.036 4.020 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.942 7.839 2.746 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -6.681 11.365 3.483 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.111 8.422 0.867 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -7.969 12.565 1.636 1.00 0.00 H new ATOM 116 N ILE A 11 -6.153 7.144 6.136 1.00 0.00 N ATOM 117 CA ILE A 11 -5.402 6.256 7.015 1.00 0.00 C ATOM 118 C ILE A 11 -6.338 5.368 7.830 1.00 0.00 C ATOM 119 O ILE A 11 -6.057 4.190 8.047 1.00 0.00 O ATOM 120 CB ILE A 11 -4.499 7.050 7.978 1.00 0.00 C ATOM 121 CG1 ILE A 11 -3.685 8.090 7.206 1.00 0.00 C ATOM 122 CG2 ILE A 11 -3.579 6.107 8.738 1.00 0.00 C ATOM 123 CD1 ILE A 11 -2.777 8.922 8.087 1.00 0.00 C ATOM 0 H ILE A 11 -6.167 8.119 6.434 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.778 5.632 6.375 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.129 7.571 8.699 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.082 7.582 6.453 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.368 8.752 6.674 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.947 6.682 9.415 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.177 5.400 9.313 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.953 5.562 8.032 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.231 9.638 7.473 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.376 9.458 8.823 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.070 8.270 8.600 1.00 0.00 H new ATOM 135 N GLN A 12 -7.450 5.940 8.278 1.00 0.00 N ATOM 136 CA GLN A 12 -8.426 5.200 9.068 1.00 0.00 C ATOM 137 C GLN A 12 -8.968 4.007 8.286 1.00 0.00 C ATOM 138 O GLN A 12 -9.326 2.982 8.867 1.00 0.00 O ATOM 139 CB GLN A 12 -9.577 6.116 9.486 1.00 0.00 C ATOM 140 CG GLN A 12 -10.550 5.467 10.457 1.00 0.00 C ATOM 141 CD GLN A 12 -10.485 6.075 11.845 1.00 0.00 C ATOM 142 OE1 GLN A 12 -11.007 7.164 12.082 1.00 0.00 O ATOM 143 NE2 GLN A 12 -9.841 5.372 12.770 1.00 0.00 N ATOM 0 H GLN A 12 -7.698 6.915 8.107 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.925 4.828 9.962 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.166 7.016 9.944 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.121 6.431 8.596 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.564 5.565 10.069 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.335 4.400 10.522 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.423 4.473 12.529 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.764 5.731 13.722 1.00 0.00 H new ATOM 152 N LEU A 13 -9.024 4.148 6.966 1.00 0.00 N ATOM 153 CA LEU A 13 -9.521 3.082 6.104 1.00 0.00 C ATOM 154 C LEU A 13 -8.678 1.820 6.258 1.00 0.00 C ATOM 155 O LEU A 13 -9.181 0.705 6.120 1.00 0.00 O ATOM 156 CB LEU A 13 -9.519 3.535 4.643 1.00 0.00 C ATOM 157 CG LEU A 13 -10.761 4.315 4.205 1.00 0.00 C ATOM 158 CD1 LEU A 13 -10.588 4.842 2.790 1.00 0.00 C ATOM 159 CD2 LEU A 13 -12.000 3.438 4.302 1.00 0.00 C ATOM 0 H LEU A 13 -8.731 4.990 6.470 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.544 2.854 6.405 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.640 4.156 4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.417 2.656 4.006 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.888 5.166 4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.481 5.394 2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.723 5.504 2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.436 4.007 2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -12.874 4.007 3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -11.882 2.568 3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.133 3.109 5.333 1.00 0.00 H new ATOM 171 N LEU A 14 -7.394 2.004 6.543 1.00 0.00 N ATOM 172 CA LEU A 14 -6.480 0.880 6.715 1.00 0.00 C ATOM 173 C LEU A 14 -6.604 0.288 8.115 1.00 0.00 C ATOM 174 O LEU A 14 -6.617 -0.931 8.286 1.00 0.00 O ATOM 175 CB LEU A 14 -5.037 1.325 6.463 1.00 0.00 C ATOM 176 CG LEU A 14 -4.751 1.820 5.045 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.455 2.616 5.010 1.00 0.00 C ATOM 178 CD2 LEU A 14 -4.686 0.650 4.076 1.00 0.00 C ATOM 0 H LEU A 14 -6.962 2.921 6.660 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.748 0.112 5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.790 2.121 7.166 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.372 0.489 6.681 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.565 2.476 4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.267 2.961 3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.538 3.476 5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.630 1.983 5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.482 1.020 3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.891 -0.031 4.380 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.639 0.120 4.081 1.00 0.00 H new ATOM 190 N LYS A 15 -6.694 1.159 9.115 1.00 0.00 N ATOM 191 CA LYS A 15 -6.818 0.723 10.501 1.00 0.00 C ATOM 192 C LYS A 15 -8.093 -0.088 10.704 1.00 0.00 C ATOM 193 O LYS A 15 -8.069 -1.157 11.315 1.00 0.00 O ATOM 194 CB LYS A 15 -6.814 1.932 11.439 1.00 0.00 C ATOM 195 CG LYS A 15 -5.629 2.861 11.229 1.00 0.00 C ATOM 196 CD LYS A 15 -5.615 3.987 12.251 1.00 0.00 C ATOM 197 CE LYS A 15 -4.367 4.844 12.119 1.00 0.00 C ATOM 198 NZ LYS A 15 -4.604 6.243 12.572 1.00 0.00 N ATOM 0 H LYS A 15 -6.683 2.171 8.991 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.964 0.087 10.734 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.736 2.495 11.296 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.811 1.581 12.471 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.702 2.292 11.301 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.668 3.281 10.224 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.500 4.609 12.120 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.665 3.568 13.256 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.561 4.404 12.706 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.039 4.850 11.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.729 6.795 12.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.356 6.672 11.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.893 6.240 13.571 1.00 0.00 H new ATOM 212 N SER A 16 -9.204 0.427 10.189 1.00 0.00 N ATOM 213 CA SER A 16 -10.491 -0.250 10.314 1.00 0.00 C ATOM 214 C SER A 16 -10.522 -1.519 9.469 1.00 0.00 C ATOM 215 O SER A 16 -11.082 -2.537 9.879 1.00 0.00 O ATOM 216 CB SER A 16 -11.625 0.684 9.893 1.00 0.00 C ATOM 217 OG SER A 16 -12.841 0.330 10.529 1.00 0.00 O ATOM 0 H SER A 16 -9.240 1.311 9.681 1.00 0.00 H new ATOM 0 HA SER A 16 -10.627 -0.527 11.359 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.366 1.712 10.145 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.751 0.643 8.811 1.00 0.00 H new ATOM 0 HG SER A 16 -13.550 0.944 10.244 1.00 0.00 H new ATOM 223 N ASN A 17 -9.916 -1.454 8.288 1.00 0.00 N ATOM 224 CA ASN A 17 -9.874 -2.597 7.385 1.00 0.00 C ATOM 225 C ASN A 17 -8.472 -3.195 7.328 1.00 0.00 C ATOM 226 O ASN A 17 -8.007 -3.615 6.269 1.00 0.00 O ATOM 227 CB ASN A 17 -10.322 -2.182 5.983 1.00 0.00 C ATOM 228 CG ASN A 17 -11.652 -1.455 5.992 1.00 0.00 C ATOM 229 OD1 ASN A 17 -12.687 -2.026 5.647 1.00 0.00 O ATOM 230 ND2 ASN A 17 -11.631 -0.188 6.388 1.00 0.00 N ATOM 0 H ASN A 17 -9.447 -0.620 7.934 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.557 -3.356 7.767 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.563 -1.539 5.538 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.400 -3.068 5.352 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.496 0.352 6.415 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.750 0.245 6.665 1.00 0.00 H new ATOM 237 N ARG A 18 -7.803 -3.231 8.476 1.00 0.00 N ATOM 238 CA ARG A 18 -6.453 -3.777 8.558 1.00 0.00 C ATOM 239 C ARG A 18 -6.470 -5.293 8.393 1.00 0.00 C ATOM 240 O ARG A 18 -5.797 -5.840 7.519 1.00 0.00 O ATOM 241 CB ARG A 18 -5.810 -3.405 9.895 1.00 0.00 C ATOM 242 CG ARG A 18 -4.339 -3.775 9.986 1.00 0.00 C ATOM 243 CD ARG A 18 -3.878 -3.879 11.431 1.00 0.00 C ATOM 244 NE ARG A 18 -3.673 -2.566 12.037 1.00 0.00 N ATOM 245 CZ ARG A 18 -2.591 -1.817 11.835 1.00 0.00 C ATOM 246 NH1 ARG A 18 -1.615 -2.247 11.044 1.00 0.00 N ATOM 247 NH2 ARG A 18 -2.485 -0.634 12.425 1.00 0.00 N ATOM 0 H ARG A 18 -8.174 -2.889 9.362 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.864 -3.347 7.748 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.917 -2.332 10.054 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.352 -3.902 10.700 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.170 -4.726 9.480 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.742 -3.026 9.466 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.618 -4.433 12.008 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.949 -4.447 11.475 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.401 -2.202 12.651 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.692 -3.156 10.587 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.789 -1.669 10.893 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.232 -0.299 13.033 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.656 -0.060 12.271 1.00 0.00 H new ATOM 261 N GLU A 19 -7.241 -5.968 9.239 1.00 0.00 N ATOM 262 CA GLU A 19 -7.344 -7.422 9.187 1.00 0.00 C ATOM 263 C GLU A 19 -8.109 -7.870 7.946 1.00 0.00 C ATOM 264 O GLU A 19 -7.856 -8.946 7.404 1.00 0.00 O ATOM 265 CB GLU A 19 -8.037 -7.950 10.445 1.00 0.00 C ATOM 266 CG GLU A 19 -7.144 -7.954 11.675 1.00 0.00 C ATOM 267 CD GLU A 19 -6.347 -9.236 11.813 1.00 0.00 C ATOM 268 OE1 GLU A 19 -6.912 -10.238 12.301 1.00 0.00 O ATOM 269 OE2 GLU A 19 -5.157 -9.240 11.432 1.00 0.00 O ATOM 0 H GLU A 19 -7.804 -5.531 9.969 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.335 -7.831 9.137 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.918 -7.340 10.648 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.388 -8.965 10.258 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.458 -7.108 11.624 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.757 -7.814 12.565 1.00 0.00 H new ATOM 276 N LEU A 20 -9.045 -7.038 7.500 1.00 0.00 N ATOM 277 CA LEU A 20 -9.846 -7.348 6.323 1.00 0.00 C ATOM 278 C LEU A 20 -9.002 -7.281 5.054 1.00 0.00 C ATOM 279 O LEU A 20 -9.100 -8.146 4.184 1.00 0.00 O ATOM 280 CB LEU A 20 -11.027 -6.382 6.214 1.00 0.00 C ATOM 281 CG LEU A 20 -11.932 -6.602 4.999 1.00 0.00 C ATOM 282 CD1 LEU A 20 -13.209 -7.322 5.406 1.00 0.00 C ATOM 283 CD2 LEU A 20 -12.258 -5.275 4.328 1.00 0.00 C ATOM 0 H LEU A 20 -9.267 -6.143 7.937 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.225 -8.364 6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.630 -6.466 7.118 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.642 -5.363 6.182 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.399 -7.228 4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.839 -7.469 4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.958 -8.290 5.839 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.746 -6.723 6.142 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.902 -5.451 3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.770 -4.625 5.037 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.335 -4.797 3.999 1.00 0.00 H new ATOM 295 N LEU A 21 -8.173 -6.245 4.955 1.00 0.00 N ATOM 296 CA LEU A 21 -7.313 -6.063 3.792 1.00 0.00 C ATOM 297 C LEU A 21 -6.378 -7.256 3.613 1.00 0.00 C ATOM 298 O LEU A 21 -6.017 -7.611 2.491 1.00 0.00 O ATOM 299 CB LEU A 21 -6.495 -4.777 3.933 1.00 0.00 C ATOM 300 CG LEU A 21 -7.168 -3.520 3.379 1.00 0.00 C ATOM 301 CD1 LEU A 21 -6.308 -2.295 3.644 1.00 0.00 C ATOM 302 CD2 LEU A 21 -7.437 -3.673 1.890 1.00 0.00 C ATOM 0 H LEU A 21 -8.080 -5.520 5.666 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.949 -5.987 2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.275 -4.618 4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.540 -4.914 3.425 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.122 -3.386 3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.802 -1.410 3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.166 -2.176 4.718 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.339 -2.419 3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.916 -2.770 1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.495 -3.831 1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.093 -4.528 1.725 1.00 0.00 H new ATOM 314 N VAL A 22 -5.990 -7.871 4.724 1.00 0.00 N ATOM 315 CA VAL A 22 -5.097 -9.024 4.689 1.00 0.00 C ATOM 316 C VAL A 22 -5.718 -10.177 3.908 1.00 0.00 C ATOM 317 O VAL A 22 -5.011 -10.975 3.294 1.00 0.00 O ATOM 318 CB VAL A 22 -4.747 -9.509 6.109 1.00 0.00 C ATOM 319 CG1 VAL A 22 -3.666 -10.577 6.058 1.00 0.00 C ATOM 320 CG2 VAL A 22 -4.314 -8.341 6.980 1.00 0.00 C ATOM 0 H VAL A 22 -6.280 -7.591 5.661 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.184 -8.701 4.189 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.639 -9.951 6.553 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.432 -10.907 7.070 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.020 -11.425 5.472 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.769 -10.165 5.595 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.071 -8.703 7.979 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.436 -7.867 6.542 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.124 -7.615 7.044 1.00 0.00 H new ATOM 330 N THR A 23 -7.044 -10.259 3.938 1.00 0.00 N ATOM 331 CA THR A 23 -7.760 -11.317 3.233 1.00 0.00 C ATOM 332 C THR A 23 -8.012 -10.930 1.780 1.00 0.00 C ATOM 333 O THR A 23 -7.944 -11.769 0.882 1.00 0.00 O ATOM 334 CB THR A 23 -9.088 -11.615 3.931 1.00 0.00 C ATOM 335 OG1 THR A 23 -8.914 -11.673 5.336 1.00 0.00 O ATOM 336 CG2 THR A 23 -9.716 -12.919 3.491 1.00 0.00 C ATOM 0 H THR A 23 -7.644 -9.607 4.442 1.00 0.00 H new ATOM 0 HA THR A 23 -7.140 -12.213 3.248 1.00 0.00 H new ATOM 0 HB THR A 23 -9.752 -10.798 3.649 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.775 -11.863 5.765 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.655 -13.069 4.024 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.909 -12.886 2.419 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.037 -13.743 3.712 1.00 0.00 H new ATOM 344 N HIS A 24 -8.302 -9.652 1.554 1.00 0.00 N ATOM 345 CA HIS A 24 -8.566 -9.154 0.210 1.00 0.00 C ATOM 346 C HIS A 24 -7.283 -9.106 -0.615 1.00 0.00 C ATOM 347 O HIS A 24 -7.248 -9.567 -1.756 1.00 0.00 O ATOM 348 CB HIS A 24 -9.198 -7.763 0.272 1.00 0.00 C ATOM 349 CG HIS A 24 -10.637 -7.778 0.685 1.00 0.00 C ATOM 350 ND1 HIS A 24 -11.469 -8.864 0.529 1.00 0.00 N ATOM 351 CD2 HIS A 24 -11.392 -6.808 1.260 1.00 0.00 C ATOM 352 CE1 HIS A 24 -12.676 -8.528 1.002 1.00 0.00 C ATOM 353 NE2 HIS A 24 -12.682 -7.291 1.459 1.00 0.00 N ATOM 0 H HIS A 24 -8.360 -8.943 2.285 1.00 0.00 H new ATOM 0 HA HIS A 24 -9.262 -9.840 -0.273 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.634 -7.147 0.972 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.114 -7.291 -0.707 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.047 -5.819 1.522 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -13.533 -9.185 1.008 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -13.469 -6.792 1.873 1.00 0.00 H new ATOM 361 N ILE A 25 -6.229 -8.544 -0.029 1.00 0.00 N ATOM 362 CA ILE A 25 -4.945 -8.436 -0.711 1.00 0.00 C ATOM 363 C ILE A 25 -4.228 -9.781 -0.746 1.00 0.00 C ATOM 364 O ILE A 25 -3.940 -10.371 0.296 1.00 0.00 O ATOM 365 CB ILE A 25 -4.033 -7.398 -0.029 1.00 0.00 C ATOM 366 CG1 ILE A 25 -4.789 -6.085 0.186 1.00 0.00 C ATOM 367 CG2 ILE A 25 -2.781 -7.164 -0.862 1.00 0.00 C ATOM 368 CD1 ILE A 25 -4.086 -5.129 1.124 1.00 0.00 C ATOM 0 H ILE A 25 -6.240 -8.157 0.915 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.153 -8.111 -1.730 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.731 -7.785 0.944 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.933 -5.596 -0.778 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.780 -6.307 0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.147 -6.428 -0.367 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.234 -8.101 -0.969 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.064 -6.795 -1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.679 -4.220 1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.966 -5.599 2.100 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.106 -4.878 0.720 1.00 0.00 H new ATOM 380 N ARG A 26 -3.942 -10.261 -1.952 1.00 0.00 N ATOM 381 CA ARG A 26 -3.257 -11.536 -2.124 1.00 0.00 C ATOM 382 C ARG A 26 -1.799 -11.323 -2.520 1.00 0.00 C ATOM 383 O ARG A 26 -0.909 -12.033 -2.055 1.00 0.00 O ATOM 384 CB ARG A 26 -3.966 -12.381 -3.185 1.00 0.00 C ATOM 385 CG ARG A 26 -5.289 -12.963 -2.714 1.00 0.00 C ATOM 386 CD ARG A 26 -5.631 -14.243 -3.458 1.00 0.00 C ATOM 387 NE ARG A 26 -7.065 -14.357 -3.721 1.00 0.00 N ATOM 388 CZ ARG A 26 -7.673 -15.500 -4.032 1.00 0.00 C ATOM 389 NH1 ARG A 26 -6.978 -16.627 -4.117 1.00 0.00 N ATOM 390 NH2 ARG A 26 -8.979 -15.515 -4.255 1.00 0.00 N ATOM 0 H ARG A 26 -4.174 -9.786 -2.824 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.283 -12.064 -1.171 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.142 -11.767 -4.068 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.308 -13.195 -3.489 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.238 -13.165 -1.644 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.083 -12.231 -2.863 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.086 -14.271 -4.402 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.300 -15.102 -2.874 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.633 -13.512 -3.663 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.973 -16.621 -3.944 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.449 -17.500 -4.356 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.518 -14.651 -4.188 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.446 -16.390 -4.493 1.00 0.00 H new ATOM 404 N ASN A 27 -1.564 -10.338 -3.381 1.00 0.00 N ATOM 405 CA ASN A 27 -0.215 -10.030 -3.839 1.00 0.00 C ATOM 406 C ASN A 27 0.375 -8.867 -3.048 1.00 0.00 C ATOM 407 O ASN A 27 -0.261 -7.826 -2.887 1.00 0.00 O ATOM 408 CB ASN A 27 -0.225 -9.695 -5.332 1.00 0.00 C ATOM 409 CG ASN A 27 0.105 -10.897 -6.196 1.00 0.00 C ATOM 410 OD1 ASN A 27 1.256 -11.100 -6.584 1.00 0.00 O ATOM 411 ND2 ASN A 27 -0.907 -11.700 -6.503 1.00 0.00 N ATOM 0 H ASN A 27 -2.290 -9.740 -3.775 1.00 0.00 H new ATOM 0 HA ASN A 27 0.408 -10.910 -3.676 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.207 -9.310 -5.609 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.495 -8.901 -5.528 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -0.747 -12.524 -7.082 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.845 -11.493 -6.159 1.00 0.00 H new ATOM 418 N THR A 28 1.596 -9.052 -2.556 1.00 0.00 N ATOM 419 CA THR A 28 2.273 -8.018 -1.782 1.00 0.00 C ATOM 420 C THR A 28 3.444 -7.431 -2.563 1.00 0.00 C ATOM 421 O THR A 28 3.774 -6.254 -2.416 1.00 0.00 O ATOM 422 CB THR A 28 2.767 -8.590 -0.452 1.00 0.00 C ATOM 423 OG1 THR A 28 3.468 -9.804 -0.656 1.00 0.00 O ATOM 424 CG2 THR A 28 1.650 -8.865 0.532 1.00 0.00 C ATOM 0 H THR A 28 2.136 -9.908 -2.680 1.00 0.00 H new ATOM 0 HA THR A 28 1.557 -7.220 -1.584 1.00 0.00 H new ATOM 0 HB THR A 28 3.419 -7.824 -0.033 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.235 -10.439 0.053 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.068 -9.269 1.454 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.120 -7.938 0.750 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.956 -9.587 0.102 1.00 0.00 H new ATOM 432 N GLN A 29 4.071 -8.259 -3.392 1.00 0.00 N ATOM 433 CA GLN A 29 5.206 -7.822 -4.196 1.00 0.00 C ATOM 434 C GLN A 29 4.762 -6.834 -5.270 1.00 0.00 C ATOM 435 O GLN A 29 5.516 -5.939 -5.653 1.00 0.00 O ATOM 436 CB GLN A 29 5.893 -9.026 -4.843 1.00 0.00 C ATOM 437 CG GLN A 29 7.410 -8.962 -4.790 1.00 0.00 C ATOM 438 CD GLN A 29 8.003 -8.210 -5.966 1.00 0.00 C ATOM 439 OE1 GLN A 29 7.323 -7.419 -6.619 1.00 0.00 O ATOM 440 NE2 GLN A 29 9.279 -8.454 -6.241 1.00 0.00 N ATOM 0 H GLN A 29 3.812 -9.237 -3.525 1.00 0.00 H new ATOM 0 HA GLN A 29 5.915 -7.320 -3.538 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.558 -9.936 -4.344 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.577 -9.098 -5.884 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.717 -8.479 -3.862 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.812 -9.975 -4.771 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.805 -9.118 -5.673 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.733 -7.977 -7.020 1.00 0.00 H new ATOM 449 N CYS A 30 3.536 -7.003 -5.753 1.00 0.00 N ATOM 450 CA CYS A 30 2.992 -6.126 -6.783 1.00 0.00 C ATOM 451 C CYS A 30 2.824 -4.706 -6.255 1.00 0.00 C ATOM 452 O CYS A 30 3.077 -3.733 -6.966 1.00 0.00 O ATOM 453 CB CYS A 30 1.647 -6.661 -7.280 1.00 0.00 C ATOM 454 SG CYS A 30 1.784 -7.882 -8.606 1.00 0.00 S ATOM 0 H CYS A 30 2.900 -7.740 -5.448 1.00 0.00 H new ATOM 0 HA CYS A 30 3.696 -6.104 -7.615 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.114 -7.109 -6.441 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.043 -5.825 -7.632 1.00 0.00 H new ATOM 0 HG CYS A 30 0.596 -8.276 -8.957 1.00 0.00 H new ATOM 460 N LEU A 31 2.394 -4.593 -5.002 1.00 0.00 N ATOM 461 CA LEU A 31 2.192 -3.292 -4.377 1.00 0.00 C ATOM 462 C LEU A 31 3.528 -2.613 -4.089 1.00 0.00 C ATOM 463 O LEU A 31 3.695 -1.419 -4.337 1.00 0.00 O ATOM 464 CB LEU A 31 1.394 -3.445 -3.081 1.00 0.00 C ATOM 465 CG LEU A 31 -0.013 -4.019 -3.250 1.00 0.00 C ATOM 466 CD1 LEU A 31 -0.380 -4.892 -2.060 1.00 0.00 C ATOM 467 CD2 LEU A 31 -1.027 -2.898 -3.424 1.00 0.00 C ATOM 0 H LEU A 31 2.179 -5.388 -4.400 1.00 0.00 H new ATOM 0 HA LEU A 31 1.630 -2.666 -5.070 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.953 -4.089 -2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.316 -2.469 -2.603 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.027 -4.639 -4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.385 -5.292 -2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.330 -5.715 -1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.349 -4.296 -1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.023 -3.324 -3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.011 -2.253 -2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.774 -2.313 -4.308 1.00 0.00 H new ATOM 479 N VAL A 32 4.474 -3.383 -3.563 1.00 0.00 N ATOM 480 CA VAL A 32 5.795 -2.857 -3.240 1.00 0.00 C ATOM 481 C VAL A 32 6.564 -2.490 -4.505 1.00 0.00 C ATOM 482 O VAL A 32 7.364 -1.554 -4.508 1.00 0.00 O ATOM 483 CB VAL A 32 6.620 -3.872 -2.426 1.00 0.00 C ATOM 484 CG1 VAL A 32 7.934 -3.252 -1.970 1.00 0.00 C ATOM 485 CG2 VAL A 32 5.821 -4.379 -1.234 1.00 0.00 C ATOM 0 H VAL A 32 4.351 -4.373 -3.351 1.00 0.00 H new ATOM 0 HA VAL A 32 5.641 -1.961 -2.639 1.00 0.00 H new ATOM 0 HB VAL A 32 6.849 -4.722 -3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.502 -3.984 -1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.513 -2.945 -2.841 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.729 -2.383 -1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.421 -5.095 -0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.558 -3.540 -0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.911 -4.865 -1.586 1.00 0.00 H new ATOM 495 N ASP A 33 6.316 -3.232 -5.580 1.00 0.00 N ATOM 496 CA ASP A 33 6.986 -2.984 -6.850 1.00 0.00 C ATOM 497 C ASP A 33 6.681 -1.580 -7.361 1.00 0.00 C ATOM 498 O ASP A 33 7.590 -0.820 -7.697 1.00 0.00 O ATOM 499 CB ASP A 33 6.555 -4.021 -7.889 1.00 0.00 C ATOM 500 CG ASP A 33 7.463 -4.036 -9.103 1.00 0.00 C ATOM 501 OD1 ASP A 33 8.576 -4.593 -9.005 1.00 0.00 O ATOM 502 OD2 ASP A 33 7.061 -3.489 -10.151 1.00 0.00 O ATOM 0 H ASP A 33 5.656 -4.010 -5.596 1.00 0.00 H new ATOM 0 HA ASP A 33 8.061 -3.067 -6.687 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.550 -5.010 -7.431 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.533 -3.811 -8.206 1.00 0.00 H new ATOM 507 N ASN A 34 5.397 -1.241 -7.418 1.00 0.00 N ATOM 508 CA ASN A 34 4.973 0.073 -7.887 1.00 0.00 C ATOM 509 C ASN A 34 5.404 1.163 -6.912 1.00 0.00 C ATOM 510 O ASN A 34 5.901 2.213 -7.320 1.00 0.00 O ATOM 511 CB ASN A 34 3.455 0.107 -8.071 1.00 0.00 C ATOM 512 CG ASN A 34 2.988 -0.798 -9.195 1.00 0.00 C ATOM 513 OD1 ASN A 34 3.160 -0.484 -10.372 1.00 0.00 O ATOM 514 ND2 ASN A 34 2.392 -1.929 -8.835 1.00 0.00 N ATOM 0 H ASN A 34 4.632 -1.858 -7.145 1.00 0.00 H new ATOM 0 HA ASN A 34 5.452 0.260 -8.848 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.972 -0.194 -7.141 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.140 1.130 -8.277 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.056 -2.577 -9.547 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.270 -2.149 -7.846 1.00 0.00 H new ATOM 521 N LEU A 35 5.211 0.908 -5.622 1.00 0.00 N ATOM 522 CA LEU A 35 5.580 1.868 -4.588 1.00 0.00 C ATOM 523 C LEU A 35 7.072 2.182 -4.645 1.00 0.00 C ATOM 524 O LEU A 35 7.495 3.293 -4.328 1.00 0.00 O ATOM 525 CB LEU A 35 5.214 1.325 -3.205 1.00 0.00 C ATOM 526 CG LEU A 35 3.715 1.155 -2.952 1.00 0.00 C ATOM 527 CD1 LEU A 35 3.475 0.202 -1.792 1.00 0.00 C ATOM 528 CD2 LEU A 35 3.066 2.504 -2.680 1.00 0.00 C ATOM 0 H LEU A 35 4.801 0.044 -5.268 1.00 0.00 H new ATOM 0 HA LEU A 35 5.026 2.789 -4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.702 0.360 -3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.621 1.996 -2.449 1.00 0.00 H new ATOM 0 HG LEU A 35 3.260 0.728 -3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.403 0.093 -1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.907 -0.771 -2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.943 0.600 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.000 2.365 -2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.525 2.958 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.208 3.157 -3.541 1.00 0.00 H new ATOM 540 N LEU A 36 7.865 1.194 -5.049 1.00 0.00 N ATOM 541 CA LEU A 36 9.309 1.364 -5.147 1.00 0.00 C ATOM 542 C LEU A 36 9.674 2.234 -6.346 1.00 0.00 C ATOM 543 O LEU A 36 10.496 3.145 -6.237 1.00 0.00 O ATOM 544 CB LEU A 36 9.997 0.003 -5.260 1.00 0.00 C ATOM 545 CG LEU A 36 10.112 -0.775 -3.949 1.00 0.00 C ATOM 546 CD1 LEU A 36 10.456 -2.231 -4.221 1.00 0.00 C ATOM 547 CD2 LEU A 36 11.158 -0.140 -3.043 1.00 0.00 C ATOM 0 H LEU A 36 7.531 0.267 -5.314 1.00 0.00 H new ATOM 0 HA LEU A 36 9.654 1.863 -4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.449 -0.606 -5.979 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.998 0.151 -5.666 1.00 0.00 H new ATOM 0 HG LEU A 36 9.148 -0.739 -3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.534 -2.769 -3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.674 -2.682 -4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.407 -2.287 -4.750 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.227 -0.706 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.126 -0.146 -3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.871 0.888 -2.821 1.00 0.00 H new ATOM 559 N LYS A 37 9.057 1.948 -7.488 1.00 0.00 N ATOM 560 CA LYS A 37 9.317 2.704 -8.708 1.00 0.00 C ATOM 561 C LYS A 37 8.836 4.144 -8.565 1.00 0.00 C ATOM 562 O LYS A 37 9.436 5.067 -9.116 1.00 0.00 O ATOM 563 CB LYS A 37 8.628 2.040 -9.900 1.00 0.00 C ATOM 564 CG LYS A 37 8.940 2.703 -11.231 1.00 0.00 C ATOM 565 CD LYS A 37 8.781 1.732 -12.389 1.00 0.00 C ATOM 566 CE LYS A 37 8.167 2.409 -13.605 1.00 0.00 C ATOM 567 NZ LYS A 37 9.200 2.791 -14.607 1.00 0.00 N ATOM 0 H LYS A 37 8.374 1.198 -7.594 1.00 0.00 H new ATOM 0 HA LYS A 37 10.393 2.714 -8.879 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.929 0.993 -9.946 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.550 2.055 -9.740 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.278 3.557 -11.377 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.959 3.089 -11.216 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.754 1.318 -12.654 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.153 0.896 -12.081 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.443 1.738 -14.067 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.621 3.298 -13.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.742 3.249 -15.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.877 3.451 -14.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.704 1.940 -14.928 1.00 0.00 H new ATOM 581 N ASN A 38 7.750 4.329 -7.821 1.00 0.00 N ATOM 582 CA ASN A 38 7.188 5.656 -7.604 1.00 0.00 C ATOM 583 C ASN A 38 7.925 6.399 -6.490 1.00 0.00 C ATOM 584 O ASN A 38 7.585 7.538 -6.165 1.00 0.00 O ATOM 585 CB ASN A 38 5.702 5.546 -7.260 1.00 0.00 C ATOM 586 CG ASN A 38 4.939 4.697 -8.258 1.00 0.00 C ATOM 587 OD1 ASN A 38 4.118 3.861 -7.879 1.00 0.00 O ATOM 588 ND2 ASN A 38 5.207 4.905 -9.541 1.00 0.00 N ATOM 0 H ASN A 38 7.242 3.575 -7.358 1.00 0.00 H new ATOM 0 HA ASN A 38 7.307 6.225 -8.526 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.593 5.117 -6.264 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.265 6.544 -7.227 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.725 4.362 -10.257 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.895 5.608 -9.811 1.00 0.00 H new ATOM 595 N ASP A 39 8.933 5.756 -5.905 1.00 0.00 N ATOM 596 CA ASP A 39 9.708 6.364 -4.830 1.00 0.00 C ATOM 597 C ASP A 39 8.828 6.641 -3.614 1.00 0.00 C ATOM 598 O ASP A 39 8.898 7.714 -3.013 1.00 0.00 O ATOM 599 CB ASP A 39 10.362 7.660 -5.312 1.00 0.00 C ATOM 600 CG ASP A 39 11.738 7.427 -5.905 1.00 0.00 C ATOM 601 OD1 ASP A 39 12.495 6.608 -5.345 1.00 0.00 O ATOM 602 OD2 ASP A 39 12.057 8.065 -6.931 1.00 0.00 O ATOM 0 H ASP A 39 9.231 4.814 -6.158 1.00 0.00 H new ATOM 0 HA ASP A 39 10.489 5.662 -4.537 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.722 8.131 -6.059 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.442 8.356 -4.477 1.00 0.00 H new ATOM 607 N TYR A 40 7.999 5.665 -3.257 1.00 0.00 N ATOM 608 CA TYR A 40 7.105 5.802 -2.112 1.00 0.00 C ATOM 609 C TYR A 40 7.577 4.937 -0.948 1.00 0.00 C ATOM 610 O TYR A 40 7.470 5.331 0.214 1.00 0.00 O ATOM 611 CB TYR A 40 5.677 5.415 -2.505 1.00 0.00 C ATOM 612 CG TYR A 40 4.885 6.553 -3.109 1.00 0.00 C ATOM 613 CD1 TYR A 40 5.166 7.018 -4.387 1.00 0.00 C ATOM 614 CD2 TYR A 40 3.855 7.159 -2.400 1.00 0.00 C ATOM 615 CE1 TYR A 40 4.444 8.057 -4.943 1.00 0.00 C ATOM 616 CE2 TYR A 40 3.129 8.199 -2.949 1.00 0.00 C ATOM 617 CZ TYR A 40 3.427 8.644 -4.220 1.00 0.00 C ATOM 618 OH TYR A 40 2.705 9.678 -4.769 1.00 0.00 O ATOM 0 H TYR A 40 7.928 4.771 -3.743 1.00 0.00 H new ATOM 0 HA TYR A 40 7.117 6.845 -1.795 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.716 4.592 -3.219 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.153 5.047 -1.623 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.962 6.560 -4.956 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.618 6.812 -1.405 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.675 8.407 -5.938 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.332 8.661 -2.385 1.00 0.00 H new ATOM 0 HH TYR A 40 1.882 9.327 -5.168 1.00 0.00 H new ATOM 628 N PHE A 41 8.098 3.757 -1.268 1.00 0.00 N ATOM 629 CA PHE A 41 8.586 2.836 -0.249 1.00 0.00 C ATOM 630 C PHE A 41 10.112 2.818 -0.218 1.00 0.00 C ATOM 631 O PHE A 41 10.762 2.739 -1.261 1.00 0.00 O ATOM 632 CB PHE A 41 8.053 1.425 -0.508 1.00 0.00 C ATOM 633 CG PHE A 41 6.817 1.096 0.280 1.00 0.00 C ATOM 634 CD1 PHE A 41 5.726 1.950 0.272 1.00 0.00 C ATOM 635 CD2 PHE A 41 6.747 -0.068 1.029 1.00 0.00 C ATOM 636 CE1 PHE A 41 4.588 1.649 0.996 1.00 0.00 C ATOM 637 CE2 PHE A 41 5.611 -0.375 1.755 1.00 0.00 C ATOM 638 CZ PHE A 41 4.531 0.485 1.738 1.00 0.00 C ATOM 0 H PHE A 41 8.193 3.416 -2.225 1.00 0.00 H new ATOM 0 HA PHE A 41 8.224 3.181 0.720 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.836 1.317 -1.571 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.831 0.701 -0.266 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.765 2.861 -0.307 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.590 -0.743 1.046 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.744 2.323 0.982 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.569 -1.286 2.334 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.642 0.248 2.304 1.00 0.00 H new ATOM 648 N SER A 42 10.676 2.891 0.982 1.00 0.00 N ATOM 649 CA SER A 42 12.125 2.883 1.148 1.00 0.00 C ATOM 650 C SER A 42 12.683 1.472 0.992 1.00 0.00 C ATOM 651 O SER A 42 11.941 0.490 1.052 1.00 0.00 O ATOM 652 CB SER A 42 12.507 3.445 2.519 1.00 0.00 C ATOM 653 OG SER A 42 11.759 4.610 2.818 1.00 0.00 O ATOM 0 H SER A 42 10.152 2.956 1.855 1.00 0.00 H new ATOM 0 HA SER A 42 12.557 3.514 0.371 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.333 2.690 3.286 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.572 3.678 2.536 1.00 0.00 H new ATOM 0 HG SER A 42 12.020 4.949 3.700 1.00 0.00 H new ATOM 659 N ALA A 43 13.993 1.377 0.790 1.00 0.00 N ATOM 660 CA ALA A 43 14.650 0.086 0.625 1.00 0.00 C ATOM 661 C ALA A 43 14.570 -0.737 1.906 1.00 0.00 C ATOM 662 O ALA A 43 14.408 -1.958 1.862 1.00 0.00 O ATOM 663 CB ALA A 43 16.100 0.282 0.210 1.00 0.00 C ATOM 0 H ALA A 43 14.621 2.179 0.737 1.00 0.00 H new ATOM 0 HA ALA A 43 14.130 -0.462 -0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.579 -0.690 0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.138 0.824 -0.735 1.00 0.00 H new ATOM 0 HB3 ALA A 43 16.624 0.853 0.977 1.00 0.00 H new ATOM 669 N GLU A 44 14.686 -0.063 3.045 1.00 0.00 N ATOM 670 CA GLU A 44 14.627 -0.734 4.338 1.00 0.00 C ATOM 671 C GLU A 44 13.228 -1.277 4.608 1.00 0.00 C ATOM 672 O GLU A 44 13.069 -2.361 5.169 1.00 0.00 O ATOM 673 CB GLU A 44 15.037 0.228 5.455 1.00 0.00 C ATOM 674 CG GLU A 44 16.541 0.324 5.655 1.00 0.00 C ATOM 675 CD GLU A 44 17.159 1.474 4.884 1.00 0.00 C ATOM 676 OE1 GLU A 44 17.220 1.389 3.639 1.00 0.00 O ATOM 677 OE2 GLU A 44 17.581 2.459 5.525 1.00 0.00 O ATOM 0 H GLU A 44 14.821 0.947 3.099 1.00 0.00 H new ATOM 0 HA GLU A 44 15.324 -1.572 4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.645 1.220 5.231 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.575 -0.094 6.388 1.00 0.00 H new ATOM 0 HG2 GLU A 44 16.756 0.446 6.717 1.00 0.00 H new ATOM 0 HG3 GLU A 44 17.006 -0.611 5.341 1.00 0.00 H new ATOM 684 N ASP A 45 12.216 -0.516 4.203 1.00 0.00 N ATOM 685 CA ASP A 45 10.829 -0.921 4.401 1.00 0.00 C ATOM 686 C ASP A 45 10.543 -2.250 3.709 1.00 0.00 C ATOM 687 O ASP A 45 9.979 -3.164 4.309 1.00 0.00 O ATOM 688 CB ASP A 45 9.881 0.157 3.871 1.00 0.00 C ATOM 689 CG ASP A 45 9.825 1.373 4.775 1.00 0.00 C ATOM 690 OD1 ASP A 45 10.888 1.780 5.288 1.00 0.00 O ATOM 691 OD2 ASP A 45 8.718 1.917 4.970 1.00 0.00 O ATOM 0 H ASP A 45 12.330 0.384 3.736 1.00 0.00 H new ATOM 0 HA ASP A 45 10.664 -1.048 5.471 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.203 0.462 2.875 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.880 -0.262 3.768 1.00 0.00 H new ATOM 696 N ALA A 46 10.935 -2.348 2.443 1.00 0.00 N ATOM 697 CA ALA A 46 10.721 -3.565 1.668 1.00 0.00 C ATOM 698 C ALA A 46 11.376 -4.769 2.337 1.00 0.00 C ATOM 699 O ALA A 46 10.914 -5.901 2.191 1.00 0.00 O ATOM 700 CB ALA A 46 11.255 -3.391 0.254 1.00 0.00 C ATOM 0 H ALA A 46 11.403 -1.599 1.932 1.00 0.00 H new ATOM 0 HA ALA A 46 9.648 -3.749 1.621 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.089 -4.307 -0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.736 -2.564 -0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.323 -3.177 0.292 1.00 0.00 H new ATOM 706 N GLU A 47 12.455 -4.519 3.073 1.00 0.00 N ATOM 707 CA GLU A 47 13.172 -5.582 3.765 1.00 0.00 C ATOM 708 C GLU A 47 12.379 -6.085 4.968 1.00 0.00 C ATOM 709 O GLU A 47 12.473 -7.255 5.340 1.00 0.00 O ATOM 710 CB GLU A 47 14.549 -5.088 4.214 1.00 0.00 C ATOM 711 CG GLU A 47 15.684 -6.030 3.846 1.00 0.00 C ATOM 712 CD GLU A 47 17.025 -5.558 4.370 1.00 0.00 C ATOM 713 OE1 GLU A 47 17.265 -5.685 5.589 1.00 0.00 O ATOM 714 OE2 GLU A 47 17.838 -5.061 3.561 1.00 0.00 O ATOM 0 H GLU A 47 12.851 -3.588 3.205 1.00 0.00 H new ATOM 0 HA GLU A 47 13.300 -6.411 3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.739 -4.112 3.767 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.541 -4.948 5.295 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.471 -7.022 4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.735 -6.126 2.761 1.00 0.00 H new ATOM 721 N ILE A 48 11.597 -5.194 5.570 1.00 0.00 N ATOM 722 CA ILE A 48 10.789 -5.549 6.731 1.00 0.00 C ATOM 723 C ILE A 48 9.577 -6.381 6.324 1.00 0.00 C ATOM 724 O ILE A 48 9.122 -7.241 7.078 1.00 0.00 O ATOM 725 CB ILE A 48 10.307 -4.294 7.485 1.00 0.00 C ATOM 726 CG1 ILE A 48 11.485 -3.362 7.774 1.00 0.00 C ATOM 727 CG2 ILE A 48 9.607 -4.687 8.777 1.00 0.00 C ATOM 728 CD1 ILE A 48 11.076 -1.920 7.987 1.00 0.00 C ATOM 0 H ILE A 48 11.506 -4.222 5.273 1.00 0.00 H new ATOM 0 HA ILE A 48 11.425 -6.138 7.391 1.00 0.00 H new ATOM 0 HB ILE A 48 9.593 -3.763 6.855 1.00 0.00 H new ATOM 0 HG12 ILE A 48 12.010 -3.717 8.661 1.00 0.00 H new ATOM 0 HG13 ILE A 48 12.190 -3.413 6.944 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.273 -3.789 9.297 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.746 -5.315 8.548 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.300 -5.238 9.413 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.961 -1.316 8.187 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.577 -1.547 7.092 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.394 -1.857 8.835 1.00 0.00 H new ATOM 740 N VAL A 49 9.059 -6.121 5.127 1.00 0.00 N ATOM 741 CA VAL A 49 7.901 -6.846 4.623 1.00 0.00 C ATOM 742 C VAL A 49 8.258 -8.293 4.296 1.00 0.00 C ATOM 743 O VAL A 49 7.551 -9.221 4.688 1.00 0.00 O ATOM 744 CB VAL A 49 7.321 -6.175 3.364 1.00 0.00 C ATOM 745 CG1 VAL A 49 6.015 -6.839 2.955 1.00 0.00 C ATOM 746 CG2 VAL A 49 7.119 -4.686 3.599 1.00 0.00 C ATOM 0 H VAL A 49 9.424 -5.413 4.489 1.00 0.00 H new ATOM 0 HA VAL A 49 7.150 -6.829 5.413 1.00 0.00 H new ATOM 0 HB VAL A 49 8.034 -6.299 2.549 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.622 -6.350 2.064 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.194 -7.893 2.742 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.292 -6.750 3.766 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.709 -4.228 2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.427 -4.539 4.429 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.076 -4.222 3.838 1.00 0.00 H new ATOM 756 N CYS A 50 9.359 -8.477 3.575 1.00 0.00 N ATOM 757 CA CYS A 50 9.811 -9.810 3.195 1.00 0.00 C ATOM 758 C CYS A 50 10.158 -10.642 4.426 1.00 0.00 C ATOM 759 O CYS A 50 10.085 -11.871 4.397 1.00 0.00 O ATOM 760 CB CYS A 50 11.026 -9.714 2.270 1.00 0.00 C ATOM 761 SG CYS A 50 11.061 -10.964 0.965 1.00 0.00 S ATOM 0 H CYS A 50 9.955 -7.719 3.242 1.00 0.00 H new ATOM 0 HA CYS A 50 8.997 -10.304 2.665 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.043 -8.725 1.812 1.00 0.00 H new ATOM 0 HB3 CYS A 50 11.933 -9.804 2.868 1.00 0.00 H new ATOM 0 HG CYS A 50 12.124 -10.799 0.235 1.00 0.00 H new ATOM 767 N ALA A 51 10.538 -9.966 5.506 1.00 0.00 N ATOM 768 CA ALA A 51 10.898 -10.643 6.747 1.00 0.00 C ATOM 769 C ALA A 51 9.768 -11.545 7.236 1.00 0.00 C ATOM 770 O ALA A 51 10.006 -12.529 7.937 1.00 0.00 O ATOM 771 CB ALA A 51 11.260 -9.623 7.816 1.00 0.00 C ATOM 0 H ALA A 51 10.605 -8.949 5.547 1.00 0.00 H new ATOM 0 HA ALA A 51 11.765 -11.272 6.547 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.527 -10.141 8.737 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.107 -9.026 7.477 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.406 -8.971 8.000 1.00 0.00 H new ATOM 777 N CYS A 52 8.537 -11.204 6.863 1.00 0.00 N ATOM 778 CA CYS A 52 7.374 -11.986 7.268 1.00 0.00 C ATOM 779 C CYS A 52 7.500 -13.436 6.804 1.00 0.00 C ATOM 780 O CYS A 52 8.081 -13.711 5.754 1.00 0.00 O ATOM 781 CB CYS A 52 6.096 -11.366 6.699 1.00 0.00 C ATOM 782 SG CYS A 52 5.595 -9.833 7.517 1.00 0.00 S ATOM 0 H CYS A 52 8.320 -10.394 6.283 1.00 0.00 H new ATOM 0 HA CYS A 52 7.323 -11.977 8.357 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.242 -11.168 5.637 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.286 -12.091 6.780 1.00 0.00 H new ATOM 0 HG CYS A 52 6.079 -8.816 6.867 1.00 0.00 H new ATOM 788 N PRO A 53 6.959 -14.385 7.586 1.00 0.00 N ATOM 789 CA PRO A 53 7.017 -15.811 7.252 1.00 0.00 C ATOM 790 C PRO A 53 6.026 -16.196 6.159 1.00 0.00 C ATOM 791 O PRO A 53 6.323 -17.031 5.305 1.00 0.00 O ATOM 792 CB PRO A 53 6.649 -16.489 8.570 1.00 0.00 C ATOM 793 CG PRO A 53 5.759 -15.512 9.258 1.00 0.00 C ATOM 794 CD PRO A 53 6.250 -14.144 8.859 1.00 0.00 C ATOM 0 HA PRO A 53 7.992 -16.101 6.860 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.140 -17.438 8.399 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.536 -16.706 9.166 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.720 -15.655 8.961 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.802 -15.641 10.340 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.425 -13.444 8.731 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.913 -13.721 9.613 1.00 0.00 H new ATOM 802 N THR A 54 4.846 -15.584 6.192 1.00 0.00 N ATOM 803 CA THR A 54 3.812 -15.867 5.204 1.00 0.00 C ATOM 804 C THR A 54 3.305 -14.583 4.555 1.00 0.00 C ATOM 805 O THR A 54 3.793 -13.492 4.850 1.00 0.00 O ATOM 806 CB THR A 54 2.650 -16.616 5.855 1.00 0.00 C ATOM 807 OG1 THR A 54 2.156 -15.901 6.974 1.00 0.00 O ATOM 808 CG2 THR A 54 3.021 -18.005 6.326 1.00 0.00 C ATOM 0 H THR A 54 4.583 -14.890 6.892 1.00 0.00 H new ATOM 0 HA THR A 54 4.251 -16.492 4.427 1.00 0.00 H new ATOM 0 HB THR A 54 1.892 -16.704 5.076 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.412 -16.396 7.376 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.151 -18.481 6.778 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.359 -18.599 5.477 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.821 -17.938 7.063 1.00 0.00 H new ATOM 816 N GLN A 55 2.324 -14.722 3.668 1.00 0.00 N ATOM 817 CA GLN A 55 1.750 -13.574 2.974 1.00 0.00 C ATOM 818 C GLN A 55 0.883 -12.740 3.916 1.00 0.00 C ATOM 819 O GLN A 55 1.080 -11.532 4.045 1.00 0.00 O ATOM 820 CB GLN A 55 0.922 -14.040 1.773 1.00 0.00 C ATOM 821 CG GLN A 55 1.278 -13.330 0.477 1.00 0.00 C ATOM 822 CD GLN A 55 2.323 -14.076 -0.328 1.00 0.00 C ATOM 823 OE1 GLN A 55 2.015 -14.688 -1.351 1.00 0.00 O ATOM 824 NE2 GLN A 55 3.568 -14.029 0.130 1.00 0.00 N ATOM 0 H GLN A 55 1.910 -15.619 3.413 1.00 0.00 H new ATOM 0 HA GLN A 55 2.570 -12.949 2.621 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.062 -15.113 1.640 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.135 -13.880 1.987 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.378 -13.209 -0.126 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.646 -12.329 0.704 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.779 -13.510 0.982 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.314 -14.512 -0.370 1.00 0.00 H new ATOM 833 N PRO A 56 -0.092 -13.377 4.588 1.00 0.00 N ATOM 834 CA PRO A 56 -0.990 -12.687 5.520 1.00 0.00 C ATOM 835 C PRO A 56 -0.235 -11.788 6.495 1.00 0.00 C ATOM 836 O PRO A 56 -0.773 -10.792 6.980 1.00 0.00 O ATOM 837 CB PRO A 56 -1.670 -13.834 6.266 1.00 0.00 C ATOM 838 CG PRO A 56 -1.661 -14.967 5.300 1.00 0.00 C ATOM 839 CD PRO A 56 -0.397 -14.818 4.494 1.00 0.00 C ATOM 0 HA PRO A 56 -1.684 -12.024 5.004 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.132 -14.087 7.179 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.686 -13.570 6.558 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.680 -15.924 5.821 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.540 -14.937 4.656 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.411 -15.426 4.900 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.542 -15.130 3.460 1.00 0.00 H new ATOM 847 N ASP A 57 1.014 -12.144 6.773 1.00 0.00 N ATOM 848 CA ASP A 57 1.844 -11.368 7.688 1.00 0.00 C ATOM 849 C ASP A 57 2.475 -10.180 6.968 1.00 0.00 C ATOM 850 O ASP A 57 2.700 -9.128 7.566 1.00 0.00 O ATOM 851 CB ASP A 57 2.933 -12.255 8.296 1.00 0.00 C ATOM 852 CG ASP A 57 2.659 -12.590 9.750 1.00 0.00 C ATOM 853 OD1 ASP A 57 2.028 -11.764 10.441 1.00 0.00 O ATOM 854 OD2 ASP A 57 3.075 -13.680 10.196 1.00 0.00 O ATOM 0 H ASP A 57 1.474 -12.964 6.378 1.00 0.00 H new ATOM 0 HA ASP A 57 1.209 -10.988 8.489 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.009 -13.178 7.721 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.896 -11.750 8.217 1.00 0.00 H new ATOM 859 N LYS A 58 2.755 -10.356 5.680 1.00 0.00 N ATOM 860 CA LYS A 58 3.359 -9.299 4.877 1.00 0.00 C ATOM 861 C LYS A 58 2.394 -8.132 4.701 1.00 0.00 C ATOM 862 O LYS A 58 2.778 -6.969 4.831 1.00 0.00 O ATOM 863 CB LYS A 58 3.773 -9.844 3.508 1.00 0.00 C ATOM 864 CG LYS A 58 4.914 -10.846 3.573 1.00 0.00 C ATOM 865 CD LYS A 58 5.018 -11.658 2.292 1.00 0.00 C ATOM 866 CE LYS A 58 6.190 -11.204 1.438 1.00 0.00 C ATOM 867 NZ LYS A 58 6.545 -12.212 0.400 1.00 0.00 N ATOM 0 H LYS A 58 2.573 -11.221 5.171 1.00 0.00 H new ATOM 0 HA LYS A 58 4.245 -8.939 5.401 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.911 -10.318 3.039 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.067 -9.012 2.868 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.852 -10.319 3.748 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.762 -11.517 4.419 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.133 -12.714 2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.093 -11.562 1.723 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.943 -10.258 0.956 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.054 -11.020 2.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.349 -11.864 -0.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.806 -13.107 0.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.729 -12.369 -0.225 1.00 0.00 H new ATOM 881 N VAL A 59 1.138 -8.448 4.402 1.00 0.00 N ATOM 882 CA VAL A 59 0.117 -7.426 4.207 1.00 0.00 C ATOM 883 C VAL A 59 -0.032 -6.553 5.449 1.00 0.00 C ATOM 884 O VAL A 59 -0.310 -5.358 5.350 1.00 0.00 O ATOM 885 CB VAL A 59 -1.249 -8.052 3.869 1.00 0.00 C ATOM 886 CG1 VAL A 59 -2.248 -6.976 3.475 1.00 0.00 C ATOM 887 CG2 VAL A 59 -1.102 -9.087 2.763 1.00 0.00 C ATOM 0 H VAL A 59 0.803 -9.405 4.289 1.00 0.00 H new ATOM 0 HA VAL A 59 0.444 -6.810 3.369 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.628 -8.556 4.758 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.207 -7.438 3.240 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.375 -6.277 4.302 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.879 -6.440 2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.077 -9.519 2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.701 -8.610 1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.423 -9.875 3.090 1.00 0.00 H new ATOM 897 N ARG A 60 0.155 -7.159 6.617 1.00 0.00 N ATOM 898 CA ARG A 60 0.043 -6.435 7.879 1.00 0.00 C ATOM 899 C ARG A 60 1.218 -5.481 8.066 1.00 0.00 C ATOM 900 O ARG A 60 1.057 -4.376 8.582 1.00 0.00 O ATOM 901 CB ARG A 60 -0.025 -7.419 9.050 1.00 0.00 C ATOM 902 CG ARG A 60 -1.081 -7.059 10.084 1.00 0.00 C ATOM 903 CD ARG A 60 -0.548 -7.195 11.504 1.00 0.00 C ATOM 904 NE ARG A 60 -0.650 -5.942 12.248 1.00 0.00 N ATOM 905 CZ ARG A 60 -0.581 -5.860 13.574 1.00 0.00 C ATOM 906 NH1 ARG A 60 -0.410 -6.954 14.306 1.00 0.00 N ATOM 907 NH2 ARG A 60 -0.683 -4.681 14.172 1.00 0.00 N ATOM 0 H ARG A 60 0.384 -8.148 6.716 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.875 -5.848 7.853 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.231 -8.417 8.664 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.949 -7.460 9.537 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.419 -6.036 9.918 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.949 -7.706 9.958 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.103 -7.974 12.027 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.494 -7.514 11.471 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.782 -5.079 11.720 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.331 -7.864 13.852 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.358 -6.885 15.322 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.814 -3.836 13.615 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.630 -4.619 15.189 1.00 0.00 H new ATOM 921 N LYS A 61 2.401 -5.917 7.643 1.00 0.00 N ATOM 922 CA LYS A 61 3.604 -5.103 7.764 1.00 0.00 C ATOM 923 C LYS A 61 3.518 -3.869 6.872 1.00 0.00 C ATOM 924 O LYS A 61 4.000 -2.796 7.232 1.00 0.00 O ATOM 925 CB LYS A 61 4.840 -5.926 7.401 1.00 0.00 C ATOM 926 CG LYS A 61 6.147 -5.162 7.546 1.00 0.00 C ATOM 927 CD LYS A 61 6.357 -4.680 8.973 1.00 0.00 C ATOM 928 CE LYS A 61 6.602 -5.841 9.925 1.00 0.00 C ATOM 929 NZ LYS A 61 5.897 -5.653 11.223 1.00 0.00 N ATOM 0 H LYS A 61 2.551 -6.830 7.213 1.00 0.00 H new ATOM 0 HA LYS A 61 3.688 -4.774 8.800 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.875 -6.812 8.035 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.745 -6.274 6.372 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.978 -5.802 7.251 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.147 -4.308 6.869 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.205 -3.996 9.006 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.482 -4.118 9.301 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.266 -6.768 9.461 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.672 -5.944 10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.089 -6.465 11.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.235 -4.782 11.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.873 -5.581 11.055 1.00 0.00 H new ATOM 943 N ILE A 62 2.902 -4.030 5.704 1.00 0.00 N ATOM 944 CA ILE A 62 2.755 -2.929 4.761 1.00 0.00 C ATOM 945 C ILE A 62 1.784 -1.880 5.292 1.00 0.00 C ATOM 946 O ILE A 62 2.062 -0.682 5.248 1.00 0.00 O ATOM 947 CB ILE A 62 2.259 -3.425 3.389 1.00 0.00 C ATOM 948 CG1 ILE A 62 3.137 -4.574 2.888 1.00 0.00 C ATOM 949 CG2 ILE A 62 2.249 -2.285 2.382 1.00 0.00 C ATOM 950 CD1 ILE A 62 2.420 -5.517 1.948 1.00 0.00 C ATOM 0 H ILE A 62 2.497 -4.912 5.390 1.00 0.00 H new ATOM 0 HA ILE A 62 3.741 -2.481 4.640 1.00 0.00 H new ATOM 0 HB ILE A 62 1.239 -3.793 3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.008 -4.160 2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.506 -5.139 3.744 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.896 -2.653 1.419 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.586 -1.495 2.734 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.258 -1.889 2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.103 -6.306 1.633 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.565 -5.960 2.459 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.075 -4.966 1.073 1.00 0.00 H new ATOM 962 N LEU A 63 0.641 -2.338 5.794 1.00 0.00 N ATOM 963 CA LEU A 63 -0.373 -1.440 6.335 1.00 0.00 C ATOM 964 C LEU A 63 0.195 -0.603 7.477 1.00 0.00 C ATOM 965 O LEU A 63 -0.092 0.589 7.589 1.00 0.00 O ATOM 966 CB LEU A 63 -1.582 -2.237 6.826 1.00 0.00 C ATOM 967 CG LEU A 63 -2.255 -3.111 5.766 1.00 0.00 C ATOM 968 CD1 LEU A 63 -2.931 -4.309 6.414 1.00 0.00 C ATOM 969 CD2 LEU A 63 -3.261 -2.298 4.965 1.00 0.00 C ATOM 0 H LEU A 63 0.394 -3.327 5.837 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.689 -0.768 5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.267 -2.873 7.653 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.320 -1.540 7.223 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.488 -3.477 5.083 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.404 -4.920 5.645 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.187 -4.904 6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.687 -3.963 7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.730 -2.936 4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.025 -1.903 5.635 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.750 -1.472 4.470 1.00 0.00 H new ATOM 981 N ASP A 64 1.003 -1.235 8.322 1.00 0.00 N ATOM 982 CA ASP A 64 1.612 -0.549 9.455 1.00 0.00 C ATOM 983 C ASP A 64 2.604 0.507 8.983 1.00 0.00 C ATOM 984 O ASP A 64 2.720 1.577 9.582 1.00 0.00 O ATOM 985 CB ASP A 64 2.315 -1.555 10.368 1.00 0.00 C ATOM 986 CG ASP A 64 2.335 -1.107 11.817 1.00 0.00 C ATOM 987 OD1 ASP A 64 2.563 0.097 12.062 1.00 0.00 O ATOM 988 OD2 ASP A 64 2.123 -1.959 12.704 1.00 0.00 O ATOM 0 H ASP A 64 1.251 -2.221 8.243 1.00 0.00 H new ATOM 0 HA ASP A 64 0.820 -0.052 10.015 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.812 -2.520 10.296 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.338 -1.702 10.022 1.00 0.00 H new ATOM 993 N LEU A 65 3.319 0.201 7.905 1.00 0.00 N ATOM 994 CA LEU A 65 4.302 1.126 7.352 1.00 0.00 C ATOM 995 C LEU A 65 3.620 2.347 6.747 1.00 0.00 C ATOM 996 O LEU A 65 3.902 3.482 7.131 1.00 0.00 O ATOM 997 CB LEU A 65 5.151 0.422 6.292 1.00 0.00 C ATOM 998 CG LEU A 65 6.197 -0.549 6.840 1.00 0.00 C ATOM 999 CD1 LEU A 65 6.685 -1.482 5.743 1.00 0.00 C ATOM 1000 CD2 LEU A 65 7.363 0.214 7.452 1.00 0.00 C ATOM 0 H LEU A 65 3.236 -0.680 7.397 1.00 0.00 H new ATOM 0 HA LEU A 65 4.949 1.460 8.163 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.488 -0.123 5.621 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.658 1.179 5.693 1.00 0.00 H new ATOM 0 HG LEU A 65 5.733 -1.151 7.621 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.429 -2.166 6.151 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.844 -2.053 5.350 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.133 -0.897 4.940 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.098 -0.493 7.837 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.827 0.841 6.691 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.000 0.840 8.267 1.00 0.00 H new ATOM 1012 N VAL A 66 2.719 2.108 5.798 1.00 0.00 N ATOM 1013 CA VAL A 66 1.995 3.189 5.140 1.00 0.00 C ATOM 1014 C VAL A 66 1.219 4.026 6.152 1.00 0.00 C ATOM 1015 O VAL A 66 1.040 5.229 5.970 1.00 0.00 O ATOM 1016 CB VAL A 66 1.019 2.646 4.080 1.00 0.00 C ATOM 1017 CG1 VAL A 66 0.378 3.787 3.306 1.00 0.00 C ATOM 1018 CG2 VAL A 66 1.732 1.688 3.137 1.00 0.00 C ATOM 0 H VAL A 66 2.473 1.175 5.468 1.00 0.00 H new ATOM 0 HA VAL A 66 2.739 3.817 4.649 1.00 0.00 H new ATOM 0 HB VAL A 66 0.229 2.096 4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.308 3.382 2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.171 4.430 3.994 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.153 4.368 2.806 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.026 1.315 2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.545 2.211 2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.137 0.851 3.706 1.00 0.00 H new ATOM 1028 N GLN A 67 0.761 3.379 7.219 1.00 0.00 N ATOM 1029 CA GLN A 67 0.004 4.064 8.261 1.00 0.00 C ATOM 1030 C GLN A 67 0.892 5.040 9.026 1.00 0.00 C ATOM 1031 O GLN A 67 0.425 6.070 9.513 1.00 0.00 O ATOM 1032 CB GLN A 67 -0.607 3.048 9.228 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.977 2.549 8.799 1.00 0.00 C ATOM 1034 CD GLN A 67 -2.576 1.569 9.788 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -2.520 1.778 10.999 1.00 0.00 O ATOM 1036 NE2 GLN A 67 -3.154 0.489 9.273 1.00 0.00 N ATOM 0 H GLN A 67 0.901 2.382 7.385 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.797 4.628 7.782 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.068 2.197 9.322 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.687 3.502 10.216 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.649 3.399 8.683 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.896 2.071 7.823 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.177 0.356 8.262 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.574 -0.207 9.889 1.00 0.00 H new ATOM 1045 N SER A 68 2.176 4.711 9.126 1.00 0.00 N ATOM 1046 CA SER A 68 3.131 5.559 9.833 1.00 0.00 C ATOM 1047 C SER A 68 3.727 6.605 8.895 1.00 0.00 C ATOM 1048 O SER A 68 4.091 7.700 9.323 1.00 0.00 O ATOM 1049 CB SER A 68 4.246 4.709 10.443 1.00 0.00 C ATOM 1050 OG SER A 68 3.933 4.336 11.774 1.00 0.00 O ATOM 0 H SER A 68 2.580 3.864 8.727 1.00 0.00 H new ATOM 0 HA SER A 68 2.599 6.075 10.633 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.399 3.815 9.838 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.182 5.267 10.429 1.00 0.00 H new ATOM 0 HG SER A 68 4.661 3.792 12.141 1.00 0.00 H new ATOM 1056 N LYS A 69 3.824 6.259 7.614 1.00 0.00 N ATOM 1057 CA LYS A 69 4.377 7.169 6.617 1.00 0.00 C ATOM 1058 C LYS A 69 3.594 8.477 6.577 1.00 0.00 C ATOM 1059 O LYS A 69 4.168 9.559 6.696 1.00 0.00 O ATOM 1060 CB LYS A 69 4.363 6.511 5.235 1.00 0.00 C ATOM 1061 CG LYS A 69 5.427 5.441 5.061 1.00 0.00 C ATOM 1062 CD LYS A 69 5.393 4.843 3.663 1.00 0.00 C ATOM 1063 CE LYS A 69 5.983 3.441 3.640 1.00 0.00 C ATOM 1064 NZ LYS A 69 7.316 3.410 2.978 1.00 0.00 N ATOM 0 H LYS A 69 3.527 5.356 7.243 1.00 0.00 H new ATOM 0 HA LYS A 69 5.406 7.393 6.897 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.382 6.068 5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.504 7.279 4.475 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.411 5.871 5.250 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.276 4.653 5.799 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.364 4.811 3.305 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.949 5.484 2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.076 3.070 4.661 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.302 2.769 3.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.310 2.699 2.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.525 4.346 2.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.045 3.163 3.677 1.00 0.00 H new ATOM 1078 N GLY A 70 2.280 8.371 6.409 1.00 0.00 N ATOM 1079 CA GLY A 70 1.441 9.553 6.357 1.00 0.00 C ATOM 1080 C GLY A 70 0.304 9.416 5.364 1.00 0.00 C ATOM 1081 O GLY A 70 -0.054 8.307 4.968 1.00 0.00 O ATOM 0 H GLY A 70 1.781 7.487 6.308 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.032 9.748 7.348 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.051 10.416 6.089 1.00 0.00 H new ATOM 1085 N GLU A 71 -0.265 10.548 4.961 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.369 10.551 4.009 1.00 0.00 C ATOM 1087 C GLU A 71 -0.852 10.504 2.574 1.00 0.00 C ATOM 1088 O GLU A 71 -1.515 9.974 1.682 1.00 0.00 O ATOM 1089 CB GLU A 71 -2.238 11.793 4.209 1.00 0.00 C ATOM 1090 CG GLU A 71 -3.284 11.635 5.300 1.00 0.00 C ATOM 1091 CD GLU A 71 -4.517 12.484 5.055 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -4.370 13.718 4.925 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -5.627 11.916 4.994 1.00 0.00 O ATOM 0 H GLU A 71 0.020 11.474 5.279 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.972 9.661 4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.596 12.640 4.453 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.738 12.031 3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.577 10.587 5.368 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.846 11.907 6.260 1.00 0.00 H new ATOM 1100 N GLU A 72 0.335 11.063 2.358 1.00 0.00 N ATOM 1101 CA GLU A 72 0.941 11.084 1.031 1.00 0.00 C ATOM 1102 C GLU A 72 1.116 9.669 0.488 1.00 0.00 C ATOM 1103 O GLU A 72 1.050 9.446 -0.720 1.00 0.00 O ATOM 1104 CB GLU A 72 2.294 11.797 1.077 1.00 0.00 C ATOM 1105 CG GLU A 72 2.874 12.088 -0.297 1.00 0.00 C ATOM 1106 CD GLU A 72 4.324 12.528 -0.235 1.00 0.00 C ATOM 1107 OE1 GLU A 72 5.177 11.707 0.160 1.00 0.00 O ATOM 1108 OE2 GLU A 72 4.606 13.694 -0.584 1.00 0.00 O ATOM 0 H GLU A 72 0.896 11.507 3.085 1.00 0.00 H new ATOM 0 HA GLU A 72 0.273 11.628 0.363 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.183 12.735 1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.000 11.184 1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.795 11.195 -0.917 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.282 12.865 -0.780 1.00 0.00 H new ATOM 1115 N VAL A 73 1.339 8.718 1.389 1.00 0.00 N ATOM 1116 CA VAL A 73 1.524 7.326 1.000 1.00 0.00 C ATOM 1117 C VAL A 73 0.239 6.526 1.189 1.00 0.00 C ATOM 1118 O VAL A 73 -0.021 5.568 0.462 1.00 0.00 O ATOM 1119 CB VAL A 73 2.652 6.660 1.809 1.00 0.00 C ATOM 1120 CG1 VAL A 73 2.976 5.286 1.244 1.00 0.00 C ATOM 1121 CG2 VAL A 73 3.891 7.543 1.825 1.00 0.00 C ATOM 0 H VAL A 73 1.396 8.886 2.393 1.00 0.00 H new ATOM 0 HA VAL A 73 1.797 7.328 -0.055 1.00 0.00 H new ATOM 0 HB VAL A 73 2.310 6.533 2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.775 4.831 1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.088 4.655 1.290 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.297 5.385 0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.678 7.056 2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.236 7.704 0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.648 8.503 2.281 1.00 0.00 H new ATOM 1131 N SER A 74 -0.563 6.928 2.170 1.00 0.00 N ATOM 1132 CA SER A 74 -1.822 6.249 2.456 1.00 0.00 C ATOM 1133 C SER A 74 -2.813 6.438 1.313 1.00 0.00 C ATOM 1134 O SER A 74 -3.576 5.530 0.983 1.00 0.00 O ATOM 1135 CB SER A 74 -2.425 6.773 3.760 1.00 0.00 C ATOM 1136 OG SER A 74 -3.534 5.988 4.162 1.00 0.00 O ATOM 0 H SER A 74 -0.363 7.721 2.780 1.00 0.00 H new ATOM 0 HA SER A 74 -1.615 5.184 2.562 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.667 6.765 4.543 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.737 7.809 3.629 1.00 0.00 H new ATOM 0 HG SER A 74 -4.354 6.358 3.774 1.00 0.00 H new ATOM 1142 N GLU A 75 -2.798 7.624 0.712 1.00 0.00 N ATOM 1143 CA GLU A 75 -3.696 7.931 -0.394 1.00 0.00 C ATOM 1144 C GLU A 75 -3.259 7.213 -1.666 1.00 0.00 C ATOM 1145 O GLU A 75 -4.090 6.773 -2.460 1.00 0.00 O ATOM 1146 CB GLU A 75 -3.741 9.441 -0.636 1.00 0.00 C ATOM 1147 CG GLU A 75 -4.826 9.868 -1.611 1.00 0.00 C ATOM 1148 CD GLU A 75 -5.140 11.349 -1.520 1.00 0.00 C ATOM 1149 OE1 GLU A 75 -4.918 11.938 -0.441 1.00 0.00 O ATOM 1150 OE2 GLU A 75 -5.609 11.919 -2.527 1.00 0.00 O ATOM 0 H GLU A 75 -2.174 8.387 0.973 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.694 7.582 -0.127 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.899 9.949 0.316 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.773 9.769 -1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.512 9.629 -2.627 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.732 9.295 -1.414 1.00 0.00 H new ATOM 1157 N PHE A 76 -1.948 7.098 -1.854 1.00 0.00 N ATOM 1158 CA PHE A 76 -1.400 6.433 -3.029 1.00 0.00 C ATOM 1159 C PHE A 76 -1.574 4.921 -2.933 1.00 0.00 C ATOM 1160 O PHE A 76 -1.907 4.259 -3.916 1.00 0.00 O ATOM 1161 CB PHE A 76 0.082 6.777 -3.191 1.00 0.00 C ATOM 1162 CG PHE A 76 0.650 6.379 -4.524 1.00 0.00 C ATOM 1163 CD1 PHE A 76 0.383 7.130 -5.657 1.00 0.00 C ATOM 1164 CD2 PHE A 76 1.450 5.254 -4.642 1.00 0.00 C ATOM 1165 CE1 PHE A 76 0.904 6.767 -6.885 1.00 0.00 C ATOM 1166 CE2 PHE A 76 1.973 4.884 -5.866 1.00 0.00 C ATOM 1167 CZ PHE A 76 1.700 5.642 -6.989 1.00 0.00 C ATOM 0 H PHE A 76 -1.246 7.457 -1.207 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.947 6.788 -3.902 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.214 7.850 -3.055 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.649 6.284 -2.402 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.239 8.009 -5.580 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.667 4.659 -3.767 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.689 7.361 -7.761 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.594 4.004 -5.945 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.108 5.355 -7.947 1.00 0.00 H new ATOM 1177 N PHE A 77 -1.349 4.380 -1.739 1.00 0.00 N ATOM 1178 CA PHE A 77 -1.482 2.945 -1.514 1.00 0.00 C ATOM 1179 C PHE A 77 -2.909 2.479 -1.788 1.00 0.00 C ATOM 1180 O PHE A 77 -3.126 1.374 -2.283 1.00 0.00 O ATOM 1181 CB PHE A 77 -1.085 2.594 -0.079 1.00 0.00 C ATOM 1182 CG PHE A 77 -0.949 1.117 0.162 1.00 0.00 C ATOM 1183 CD1 PHE A 77 -0.036 0.366 -0.559 1.00 0.00 C ATOM 1184 CD2 PHE A 77 -1.736 0.482 1.109 1.00 0.00 C ATOM 1185 CE1 PHE A 77 0.091 -0.993 -0.339 1.00 0.00 C ATOM 1186 CE2 PHE A 77 -1.614 -0.876 1.333 1.00 0.00 C ATOM 1187 CZ PHE A 77 -0.700 -1.615 0.608 1.00 0.00 C ATOM 0 H PHE A 77 -1.074 4.913 -0.914 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.814 2.432 -2.205 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.139 3.081 0.157 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.831 2.998 0.605 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.584 0.847 -1.301 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.453 1.055 1.679 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.808 -1.568 -0.907 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.233 -1.359 2.075 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.604 -2.677 0.781 1.00 0.00 H new ATOM 1197 N LEU A 78 -3.876 3.329 -1.460 1.00 0.00 N ATOM 1198 CA LEU A 78 -5.282 3.004 -1.669 1.00 0.00 C ATOM 1199 C LEU A 78 -5.687 3.243 -3.120 1.00 0.00 C ATOM 1200 O LEU A 78 -6.563 2.560 -3.652 1.00 0.00 O ATOM 1201 CB LEU A 78 -6.165 3.836 -0.738 1.00 0.00 C ATOM 1202 CG LEU A 78 -6.062 3.476 0.745 1.00 0.00 C ATOM 1203 CD1 LEU A 78 -6.789 4.506 1.596 1.00 0.00 C ATOM 1204 CD2 LEU A 78 -6.624 2.084 0.993 1.00 0.00 C ATOM 0 H LEU A 78 -3.712 4.248 -1.049 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.421 1.947 -1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.905 4.888 -0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.203 3.725 -1.052 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.010 3.479 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.705 4.233 2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.343 5.488 1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.841 4.536 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.543 1.843 2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.672 2.056 0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.060 1.355 0.411 1.00 0.00 H new ATOM 1216 N TYR A 79 -5.043 4.217 -3.757 1.00 0.00 N ATOM 1217 CA TYR A 79 -5.336 4.546 -5.147 1.00 0.00 C ATOM 1218 C TYR A 79 -4.882 3.428 -6.080 1.00 0.00 C ATOM 1219 O TYR A 79 -5.571 3.090 -7.042 1.00 0.00 O ATOM 1220 CB TYR A 79 -4.656 5.859 -5.536 1.00 0.00 C ATOM 1221 CG TYR A 79 -5.462 6.696 -6.503 1.00 0.00 C ATOM 1222 CD1 TYR A 79 -5.778 6.218 -7.769 1.00 0.00 C ATOM 1223 CD2 TYR A 79 -5.909 7.963 -6.151 1.00 0.00 C ATOM 1224 CE1 TYR A 79 -6.514 6.980 -8.656 1.00 0.00 C ATOM 1225 CE2 TYR A 79 -6.646 8.731 -7.033 1.00 0.00 C ATOM 1226 CZ TYR A 79 -6.946 8.234 -8.283 1.00 0.00 C ATOM 1227 OH TYR A 79 -7.680 8.995 -9.164 1.00 0.00 O ATOM 0 H TYR A 79 -4.315 4.792 -3.332 1.00 0.00 H new ATOM 0 HA TYR A 79 -6.415 4.660 -5.247 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.467 6.442 -4.634 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.686 5.638 -5.981 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.443 5.235 -8.064 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.677 8.355 -5.172 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -6.750 6.594 -9.637 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.985 9.715 -6.744 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.907 9.852 -8.746 1.00 0.00 H new ATOM 1237 N LEU A 80 -3.718 2.857 -5.787 1.00 0.00 N ATOM 1238 CA LEU A 80 -3.170 1.778 -6.601 1.00 0.00 C ATOM 1239 C LEU A 80 -4.118 0.583 -6.630 1.00 0.00 C ATOM 1240 O LEU A 80 -4.289 -0.062 -7.664 1.00 0.00 O ATOM 1241 CB LEU A 80 -1.805 1.347 -6.062 1.00 0.00 C ATOM 1242 CG LEU A 80 -0.648 2.288 -6.403 1.00 0.00 C ATOM 1243 CD1 LEU A 80 0.370 2.313 -5.274 1.00 0.00 C ATOM 1244 CD2 LEU A 80 0.010 1.867 -7.708 1.00 0.00 C ATOM 0 H LEU A 80 -3.136 3.123 -4.992 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.050 2.149 -7.619 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.872 1.256 -4.978 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.574 0.356 -6.452 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.046 3.295 -6.527 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.186 2.988 -5.534 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.110 2.660 -4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.765 1.309 -5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.831 2.546 -7.937 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.395 0.852 -7.610 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.724 1.901 -8.513 1.00 0.00 H new ATOM 1256 N LEU A 81 -4.732 0.293 -5.487 1.00 0.00 N ATOM 1257 CA LEU A 81 -5.663 -0.825 -5.380 1.00 0.00 C ATOM 1258 C LEU A 81 -6.827 -0.661 -6.351 1.00 0.00 C ATOM 1259 O LEU A 81 -7.398 -1.645 -6.821 1.00 0.00 O ATOM 1260 CB LEU A 81 -6.190 -0.941 -3.949 1.00 0.00 C ATOM 1261 CG LEU A 81 -5.120 -1.174 -2.881 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -5.654 -0.815 -1.504 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -4.646 -2.619 -2.912 1.00 0.00 C ATOM 0 H LEU A 81 -4.601 0.817 -4.622 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.126 -1.738 -5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.734 -0.029 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.907 -1.761 -3.908 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.269 -0.528 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.879 -0.987 -0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.945 0.235 -1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.521 -1.435 -1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.885 -2.769 -2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.489 -3.283 -2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.224 -2.843 -3.892 1.00 0.00 H new ATOM 1275 N GLN A 82 -7.175 0.586 -6.648 1.00 0.00 N ATOM 1276 CA GLN A 82 -8.273 0.877 -7.563 1.00 0.00 C ATOM 1277 C GLN A 82 -7.882 0.556 -9.003 1.00 0.00 C ATOM 1278 O GLN A 82 -8.657 -0.044 -9.747 1.00 0.00 O ATOM 1279 CB GLN A 82 -8.687 2.346 -7.445 1.00 0.00 C ATOM 1280 CG GLN A 82 -10.103 2.538 -6.922 1.00 0.00 C ATOM 1281 CD GLN A 82 -10.976 3.327 -7.878 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -11.898 2.784 -8.487 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -10.690 4.617 -8.014 1.00 0.00 N ATOM 0 H GLN A 82 -6.713 1.412 -6.268 1.00 0.00 H new ATOM 0 HA GLN A 82 -9.119 0.247 -7.289 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -7.991 2.859 -6.782 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.602 2.819 -8.424 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.556 1.563 -6.743 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.065 3.052 -5.962 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.917 5.026 -7.490 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.244 5.199 -8.643 1.00 0.00 H new ATOM 1292 N GLN A 83 -6.676 0.960 -9.389 1.00 0.00 N ATOM 1293 CA GLN A 83 -6.184 0.715 -10.740 1.00 0.00 C ATOM 1294 C GLN A 83 -5.790 -0.747 -10.920 1.00 0.00 C ATOM 1295 O GLN A 83 -6.296 -1.431 -11.811 1.00 0.00 O ATOM 1296 CB GLN A 83 -4.986 1.618 -11.041 1.00 0.00 C ATOM 1297 CG GLN A 83 -5.345 3.091 -11.145 1.00 0.00 C ATOM 1298 CD GLN A 83 -4.146 3.998 -10.953 1.00 0.00 C ATOM 1299 OE1 GLN A 83 -3.756 4.301 -9.826 1.00 0.00 O ATOM 1300 NE2 GLN A 83 -3.553 4.437 -12.057 1.00 0.00 N ATOM 0 H GLN A 83 -6.022 1.458 -8.786 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.988 0.944 -11.439 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.239 1.489 -10.258 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.526 1.298 -11.976 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -5.790 3.285 -12.121 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.101 3.331 -10.397 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -3.910 4.161 -12.972 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.741 5.050 -11.990 1.00 0.00 H new ATOM 1309 N LEU A 84 -4.885 -1.221 -10.071 1.00 0.00 N ATOM 1310 CA LEU A 84 -4.422 -2.603 -10.137 1.00 0.00 C ATOM 1311 C LEU A 84 -5.574 -3.582 -9.918 1.00 0.00 C ATOM 1312 O LEU A 84 -5.476 -4.757 -10.275 1.00 0.00 O ATOM 1313 CB LEU A 84 -3.326 -2.846 -9.097 1.00 0.00 C ATOM 1314 CG LEU A 84 -2.133 -1.892 -9.179 1.00 0.00 C ATOM 1315 CD1 LEU A 84 -1.074 -2.273 -8.157 1.00 0.00 C ATOM 1316 CD2 LEU A 84 -1.546 -1.893 -10.583 1.00 0.00 C ATOM 0 H LEU A 84 -4.457 -0.668 -9.328 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.014 -2.772 -11.134 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.766 -2.769 -8.103 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.963 -3.868 -9.206 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.481 -0.884 -8.952 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.233 -1.583 -8.230 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.500 -2.221 -7.155 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.729 -3.288 -8.352 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.698 -1.209 -10.623 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.213 -2.899 -10.837 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.306 -1.572 -11.295 1.00 0.00 H new ATOM 1328 N ALA A 85 -6.664 -3.096 -9.328 1.00 0.00 N ATOM 1329 CA ALA A 85 -7.831 -3.932 -9.063 1.00 0.00 C ATOM 1330 C ALA A 85 -8.263 -4.701 -10.310 1.00 0.00 C ATOM 1331 O ALA A 85 -8.861 -5.773 -10.212 1.00 0.00 O ATOM 1332 CB ALA A 85 -8.980 -3.080 -8.541 1.00 0.00 C ATOM 0 H ALA A 85 -6.763 -2.127 -9.025 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.555 -4.662 -8.302 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.845 -3.715 -8.347 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -8.677 -2.587 -7.617 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.242 -2.327 -9.285 1.00 0.00 H new ATOM 1338 N ASP A 86 -7.956 -4.147 -11.479 1.00 0.00 N ATOM 1339 CA ASP A 86 -8.313 -4.783 -12.744 1.00 0.00 C ATOM 1340 C ASP A 86 -7.766 -6.206 -12.816 1.00 0.00 C ATOM 1341 O ASP A 86 -8.343 -7.070 -13.477 1.00 0.00 O ATOM 1342 CB ASP A 86 -7.783 -3.961 -13.919 1.00 0.00 C ATOM 1343 CG ASP A 86 -8.695 -4.023 -15.128 1.00 0.00 C ATOM 1344 OD1 ASP A 86 -9.123 -5.138 -15.493 1.00 0.00 O ATOM 1345 OD2 ASP A 86 -8.984 -2.955 -15.709 1.00 0.00 O ATOM 0 H ASP A 86 -7.462 -3.260 -11.577 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.400 -4.830 -12.802 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.666 -2.923 -13.609 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.793 -4.324 -14.195 1.00 0.00 H new ATOM 1350 N ALA A 87 -6.651 -6.443 -12.132 1.00 0.00 N ATOM 1351 CA ALA A 87 -6.028 -7.761 -12.120 1.00 0.00 C ATOM 1352 C ALA A 87 -6.476 -8.568 -10.906 1.00 0.00 C ATOM 1353 O ALA A 87 -6.577 -9.794 -10.967 1.00 0.00 O ATOM 1354 CB ALA A 87 -4.513 -7.627 -12.136 1.00 0.00 C ATOM 0 H ALA A 87 -6.161 -5.740 -11.579 1.00 0.00 H new ATOM 0 HA ALA A 87 -6.345 -8.295 -13.016 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.060 -8.618 -12.127 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.204 -7.095 -13.036 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.188 -7.071 -11.257 1.00 0.00 H new ATOM 1360 N TYR A 88 -6.744 -7.874 -9.805 1.00 0.00 N ATOM 1361 CA TYR A 88 -7.183 -8.528 -8.577 1.00 0.00 C ATOM 1362 C TYR A 88 -8.620 -9.019 -8.706 1.00 0.00 C ATOM 1363 O TYR A 88 -9.401 -8.485 -9.493 1.00 0.00 O ATOM 1364 CB TYR A 88 -7.064 -7.567 -7.393 1.00 0.00 C ATOM 1365 CG TYR A 88 -5.644 -7.377 -6.907 1.00 0.00 C ATOM 1366 CD1 TYR A 88 -4.773 -6.521 -7.568 1.00 0.00 C ATOM 1367 CD2 TYR A 88 -5.177 -8.053 -5.787 1.00 0.00 C ATOM 1368 CE1 TYR A 88 -3.475 -6.343 -7.128 1.00 0.00 C ATOM 1369 CE2 TYR A 88 -3.880 -7.880 -5.340 1.00 0.00 C ATOM 1370 CZ TYR A 88 -3.034 -7.025 -6.014 1.00 0.00 C ATOM 1371 OH TYR A 88 -1.742 -6.852 -5.572 1.00 0.00 O ATOM 0 H TYR A 88 -6.665 -6.859 -9.738 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.539 -9.390 -8.403 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.474 -6.598 -7.680 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.674 -7.940 -6.570 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.116 -5.985 -8.441 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -5.837 -8.724 -5.257 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.810 -5.674 -7.654 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.531 -8.412 -4.467 1.00 0.00 H new ATOM 0 HH TYR A 88 -1.625 -7.313 -4.715 1.00 0.00 H new ATOM 1381 N VAL A 89 -8.964 -10.039 -7.926 1.00 0.00 N ATOM 1382 CA VAL A 89 -10.309 -10.602 -7.952 1.00 0.00 C ATOM 1383 C VAL A 89 -11.054 -10.314 -6.653 1.00 0.00 C ATOM 1384 O VAL A 89 -12.277 -10.174 -6.645 1.00 0.00 O ATOM 1385 CB VAL A 89 -10.278 -12.126 -8.188 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -9.675 -12.443 -9.548 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -9.507 -12.826 -7.077 1.00 0.00 C ATOM 0 H VAL A 89 -8.330 -10.492 -7.268 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.833 -10.125 -8.780 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.303 -12.497 -8.175 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.661 -13.523 -9.697 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.275 -11.976 -10.330 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -8.656 -12.057 -9.593 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.497 -13.900 -7.262 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.483 -12.452 -7.053 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.988 -12.627 -6.119 1.00 0.00 H new ATOM 1397 N ASP A 90 -10.308 -10.227 -5.556 1.00 0.00 N ATOM 1398 CA ASP A 90 -10.899 -9.955 -4.250 1.00 0.00 C ATOM 1399 C ASP A 90 -11.257 -8.480 -4.111 1.00 0.00 C ATOM 1400 O ASP A 90 -12.338 -8.136 -3.632 1.00 0.00 O ATOM 1401 CB ASP A 90 -9.933 -10.365 -3.136 1.00 0.00 C ATOM 1402 CG ASP A 90 -9.861 -11.869 -2.958 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -10.925 -12.522 -2.984 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -8.739 -12.394 -2.793 1.00 0.00 O ATOM 0 H ASP A 90 -9.294 -10.341 -5.545 1.00 0.00 H new ATOM 0 HA ASP A 90 -11.814 -10.541 -4.163 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.938 -9.981 -3.362 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.247 -9.906 -2.199 1.00 0.00 H new ATOM 1409 N LEU A 91 -10.344 -7.611 -4.532 1.00 0.00 N ATOM 1410 CA LEU A 91 -10.564 -6.172 -4.455 1.00 0.00 C ATOM 1411 C LEU A 91 -11.412 -5.689 -5.626 1.00 0.00 C ATOM 1412 O LEU A 91 -11.043 -5.864 -6.787 1.00 0.00 O ATOM 1413 CB LEU A 91 -9.226 -5.431 -4.438 1.00 0.00 C ATOM 1414 CG LEU A 91 -8.251 -5.881 -3.349 1.00 0.00 C ATOM 1415 CD1 LEU A 91 -6.816 -5.784 -3.844 1.00 0.00 C ATOM 1416 CD2 LEU A 91 -8.440 -5.050 -2.088 1.00 0.00 C ATOM 0 H LEU A 91 -9.444 -7.879 -4.930 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.100 -5.960 -3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.746 -5.557 -5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.420 -4.366 -4.314 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.461 -6.923 -3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.137 -6.108 -3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.689 -6.423 -4.718 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.593 -4.752 -4.113 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.738 -5.384 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.258 -3.999 -2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.460 -5.171 -1.722 1.00 0.00 H new ATOM 1428 N ARG A 92 -12.552 -5.080 -5.313 1.00 0.00 N ATOM 1429 CA ARG A 92 -13.455 -4.570 -6.339 1.00 0.00 C ATOM 1430 C ARG A 92 -14.693 -3.936 -5.707 1.00 0.00 C ATOM 1431 O ARG A 92 -14.961 -2.750 -5.901 1.00 0.00 O ATOM 1432 CB ARG A 92 -13.870 -5.696 -7.291 1.00 0.00 C ATOM 1433 CG ARG A 92 -13.464 -5.451 -8.735 1.00 0.00 C ATOM 1434 CD ARG A 92 -13.142 -6.753 -9.451 1.00 0.00 C ATOM 1435 NE ARG A 92 -14.325 -7.338 -10.080 1.00 0.00 N ATOM 1436 CZ ARG A 92 -14.842 -6.910 -11.228 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -14.286 -5.894 -11.878 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -15.919 -7.498 -11.731 1.00 0.00 N ATOM 0 H ARG A 92 -12.872 -4.928 -4.357 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.926 -3.804 -6.906 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.425 -6.631 -6.951 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.952 -5.822 -7.243 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -14.270 -4.936 -9.258 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.595 -4.794 -8.763 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.380 -6.571 -10.209 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.721 -7.463 -8.740 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.781 -8.121 -9.611 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.457 -5.437 -11.497 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.688 -5.571 -12.758 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -16.351 -8.279 -11.237 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -16.315 -7.169 -12.612 1.00 0.00 H new ATOM 1452 N PRO A 93 -15.469 -4.722 -4.940 1.00 0.00 N ATOM 1453 CA PRO A 93 -16.682 -4.231 -4.281 1.00 0.00 C ATOM 1454 C PRO A 93 -16.372 -3.345 -3.080 1.00 0.00 C ATOM 1455 O PRO A 93 -17.163 -2.472 -2.719 1.00 0.00 O ATOM 1456 CB PRO A 93 -17.383 -5.514 -3.835 1.00 0.00 C ATOM 1457 CG PRO A 93 -16.280 -6.496 -3.639 1.00 0.00 C ATOM 1458 CD PRO A 93 -15.225 -6.151 -4.656 1.00 0.00 C ATOM 0 HA PRO A 93 -17.284 -3.608 -4.943 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -17.944 -5.359 -2.914 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.093 -5.860 -4.586 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.880 -6.435 -2.627 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -16.637 -7.516 -3.780 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -14.221 -6.316 -4.264 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -15.320 -6.760 -5.555 1.00 0.00 H new ATOM 1466 N TRP A 94 -15.218 -3.575 -2.463 1.00 0.00 N ATOM 1467 CA TRP A 94 -14.805 -2.796 -1.300 1.00 0.00 C ATOM 1468 C TRP A 94 -14.625 -1.327 -1.665 1.00 0.00 C ATOM 1469 O TRP A 94 -15.279 -0.452 -1.097 1.00 0.00 O ATOM 1470 CB TRP A 94 -13.503 -3.353 -0.723 1.00 0.00 C ATOM 1471 CG TRP A 94 -13.086 -2.687 0.553 1.00 0.00 C ATOM 1472 CD1 TRP A 94 -13.795 -2.630 1.718 1.00 0.00 C ATOM 1473 CD2 TRP A 94 -11.863 -1.981 0.792 1.00 0.00 C ATOM 1474 NE1 TRP A 94 -13.089 -1.932 2.667 1.00 0.00 N ATOM 1475 CE2 TRP A 94 -11.898 -1.523 2.124 1.00 0.00 C ATOM 1476 CE3 TRP A 94 -10.740 -1.693 0.011 1.00 0.00 C ATOM 1477 CZ2 TRP A 94 -10.855 -0.794 2.688 1.00 0.00 C ATOM 1478 CZ3 TRP A 94 -9.706 -0.968 0.573 1.00 0.00 C ATOM 1479 CH2 TRP A 94 -9.770 -0.526 1.900 1.00 0.00 C ATOM 0 H TRP A 94 -14.552 -4.293 -2.748 1.00 0.00 H new ATOM 0 HA TRP A 94 -15.589 -2.871 -0.547 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -13.621 -4.422 -0.545 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -12.709 -3.238 -1.461 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -14.769 -3.070 1.871 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -13.400 -1.748 3.621 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.681 -2.031 -1.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -10.901 -0.452 3.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -8.834 -0.739 -0.022 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -8.945 0.038 2.310 1.00 0.00 H new ATOM 1490 N LEU A 95 -13.734 -1.062 -2.615 1.00 0.00 N ATOM 1491 CA LEU A 95 -13.466 0.302 -3.056 1.00 0.00 C ATOM 1492 C LEU A 95 -14.745 0.985 -3.533 1.00 0.00 C ATOM 1493 O LEU A 95 -15.032 2.121 -3.155 1.00 0.00 O ATOM 1494 CB LEU A 95 -12.426 0.301 -4.180 1.00 0.00 C ATOM 1495 CG LEU A 95 -11.042 -0.216 -3.780 1.00 0.00 C ATOM 1496 CD1 LEU A 95 -10.426 -1.024 -4.912 1.00 0.00 C ATOM 1497 CD2 LEU A 95 -10.133 0.941 -3.391 1.00 0.00 C ATOM 0 H LEU A 95 -13.185 -1.775 -3.095 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.075 0.860 -2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -12.802 -0.309 -5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -12.322 1.318 -4.559 1.00 0.00 H new ATOM 0 HG LEU A 95 -11.155 -0.870 -2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -9.442 -1.383 -4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -11.068 -1.874 -5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -10.326 -0.394 -5.796 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -9.153 0.555 -3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.026 1.620 -4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.568 1.478 -2.548 1.00 0.00 H new ATOM 1509 N LEU A 96 -15.508 0.284 -4.364 1.00 0.00 N ATOM 1510 CA LEU A 96 -16.757 0.821 -4.892 1.00 0.00 C ATOM 1511 C LEU A 96 -17.757 1.081 -3.768 1.00 0.00 C ATOM 1512 O LEU A 96 -18.599 1.972 -3.868 1.00 0.00 O ATOM 1513 CB LEU A 96 -17.359 -0.145 -5.915 1.00 0.00 C ATOM 1514 CG LEU A 96 -16.995 0.147 -7.373 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -16.612 -1.136 -8.097 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -18.150 0.836 -8.083 1.00 0.00 C ATOM 0 H LEU A 96 -15.284 -0.657 -4.687 1.00 0.00 H new ATOM 0 HA LEU A 96 -16.538 1.769 -5.383 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.035 -1.157 -5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -18.444 -0.125 -5.816 1.00 0.00 H new ATOM 0 HG LEU A 96 -16.135 0.817 -7.384 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.357 -0.908 -9.132 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -15.753 -1.590 -7.603 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -17.452 -1.831 -8.075 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.873 1.036 -9.118 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -19.028 0.191 -8.060 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -18.377 1.776 -7.580 1.00 0.00 H new ATOM 1528 N GLU A 97 -17.657 0.296 -2.700 1.00 0.00 N ATOM 1529 CA GLU A 97 -18.553 0.441 -1.558 1.00 0.00 C ATOM 1530 C GLU A 97 -18.150 1.632 -0.695 1.00 0.00 C ATOM 1531 O GLU A 97 -18.984 2.464 -0.340 1.00 0.00 O ATOM 1532 CB GLU A 97 -18.551 -0.837 -0.717 1.00 0.00 C ATOM 1533 CG GLU A 97 -19.594 -1.854 -1.155 1.00 0.00 C ATOM 1534 CD GLU A 97 -19.581 -3.106 -0.299 1.00 0.00 C ATOM 1535 OE1 GLU A 97 -19.334 -2.990 0.919 1.00 0.00 O ATOM 1536 OE2 GLU A 97 -19.819 -4.202 -0.848 1.00 0.00 O ATOM 0 H GLU A 97 -16.965 -0.447 -2.601 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.559 0.617 -1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -17.564 -1.296 -0.770 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -18.726 -0.576 0.327 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -20.583 -1.398 -1.110 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -19.416 -2.127 -2.195 1.00 0.00 H new ATOM 1543 N ILE A 98 -16.866 1.706 -0.360 1.00 0.00 N ATOM 1544 CA ILE A 98 -16.353 2.795 0.463 1.00 0.00 C ATOM 1545 C ILE A 98 -16.349 4.114 -0.305 1.00 0.00 C ATOM 1546 O ILE A 98 -16.419 5.189 0.292 1.00 0.00 O ATOM 1547 CB ILE A 98 -14.925 2.500 0.962 1.00 0.00 C ATOM 1548 CG1 ILE A 98 -13.982 2.276 -0.221 1.00 0.00 C ATOM 1549 CG2 ILE A 98 -14.927 1.288 1.882 1.00 0.00 C ATOM 1550 CD1 ILE A 98 -12.564 2.735 0.043 1.00 0.00 C ATOM 0 H ILE A 98 -16.162 1.025 -0.646 1.00 0.00 H new ATOM 0 HA ILE A 98 -17.019 2.880 1.321 1.00 0.00 H new ATOM 0 HB ILE A 98 -14.568 3.361 1.527 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -13.972 1.215 -0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -14.371 2.805 -1.091 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -13.912 1.091 2.227 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.570 1.484 2.740 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -15.300 0.420 1.339 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.950 2.546 -0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -12.562 3.802 0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -12.157 2.188 0.893 1.00 0.00 H new ATOM 1562 N GLY A 99 -16.267 4.026 -1.628 1.00 0.00 N ATOM 1563 CA GLY A 99 -16.255 5.220 -2.451 1.00 0.00 C ATOM 1564 C GLY A 99 -15.006 6.055 -2.244 1.00 0.00 C ATOM 1565 O GLY A 99 -15.041 7.079 -1.563 1.00 0.00 O ATOM 0 H GLY A 99 -16.209 3.149 -2.145 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.328 4.935 -3.501 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.134 5.823 -2.223 1.00 0.00 H new ATOM 1569 N PHE A 100 -13.899 5.614 -2.832 1.00 0.00 N ATOM 1570 CA PHE A 100 -12.632 6.326 -2.708 1.00 0.00 C ATOM 1571 C PHE A 100 -12.712 7.698 -3.368 1.00 0.00 C ATOM 1572 O PHE A 100 -12.590 7.819 -4.587 1.00 0.00 O ATOM 1573 CB PHE A 100 -11.501 5.510 -3.337 1.00 0.00 C ATOM 1574 CG PHE A 100 -10.133 5.917 -2.868 1.00 0.00 C ATOM 1575 CD1 PHE A 100 -9.822 5.919 -1.518 1.00 0.00 C ATOM 1576 CD2 PHE A 100 -9.160 6.297 -3.777 1.00 0.00 C ATOM 1577 CE1 PHE A 100 -8.565 6.294 -1.084 1.00 0.00 C ATOM 1578 CE2 PHE A 100 -7.901 6.673 -3.349 1.00 0.00 C ATOM 1579 CZ PHE A 100 -7.602 6.671 -2.001 1.00 0.00 C ATOM 0 H PHE A 100 -13.853 4.767 -3.399 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.424 6.465 -1.647 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.655 4.455 -3.109 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -11.550 5.612 -4.421 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -10.570 5.624 -0.797 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.388 6.300 -4.833 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.335 6.293 -0.029 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -7.151 6.968 -4.068 1.00 0.00 H new ATOM 0 HZ PHE A 100 -6.618 6.963 -1.664 1.00 0.00 H new