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 Single : A 8 HIS : no HD1:sc= -4.9! C(o=-4.9!,f=-4.5!) USER MOD Single : A 10 HIS : no HD1:sc= -3.2! X(o=-3.2!,f=-3.4) USER MOD Single : A 12 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.076) 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= 0.936 K(o=0.94,f=-0.45) USER MOD Single : A 23 THR OG1 : rot 78:sc= 0.171 USER MOD Single : A 24 HIS : no HE2:sc= -2.64 K(o=-2.6,f=-4.2) USER MOD Single : A 27 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.6) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.024) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 ASN :FLIP amide:sc= -2.94 F(o=-3.7!,f=-2.9) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.655 X(o=-0.65,f=-1) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 85:sc= 0.00114 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 95:sc= -2.13 USER MOD Single : A 54 THR OG1 : rot 180:sc=-0.00192 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 148:sc= 0.0757 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -4.58 K(o=-4.6,f=-7.8!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00254) USER MOD Single : A 74 SER OG : rot 0:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.0789 X(o=-0.079,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.129 K(o=-0.13,f=-1.6!) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.938 USER MOD ----------------------------------------------------------------- ATOM 68 N HIS A 8 -8.123 11.197 9.692 1.00 0.00 N ATOM 69 CA HIS A 8 -7.457 10.529 8.580 1.00 0.00 C ATOM 70 C HIS A 8 -8.413 9.576 7.866 1.00 0.00 C ATOM 71 O HIS A 8 -8.523 8.406 8.231 1.00 0.00 O ATOM 72 CB HIS A 8 -6.233 9.760 9.080 1.00 0.00 C ATOM 73 CG HIS A 8 -5.352 10.562 9.987 1.00 0.00 C ATOM 74 ND1 HIS A 8 -5.185 10.297 11.327 1.00 0.00 N ATOM 75 CD2 HIS A 8 -4.576 11.645 9.720 1.00 0.00 C ATOM 76 CE1 HIS A 8 -4.334 11.205 11.824 1.00 0.00 C ATOM 77 NE2 HIS A 8 -3.935 12.046 10.889 1.00 0.00 N ATOM 0 HA HIS A 8 -7.135 11.292 7.871 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.566 8.866 9.607 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.649 9.425 8.223 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -4.473 12.119 8.755 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.016 11.243 12.855 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.290 12.828 11.000 1.00 0.00 H new ATOM 85 N PRO A 9 -9.123 10.066 6.834 1.00 0.00 N ATOM 86 CA PRO A 9 -10.074 9.251 6.071 1.00 0.00 C ATOM 87 C PRO A 9 -9.382 8.183 5.230 1.00 0.00 C ATOM 88 O PRO A 9 -9.989 7.174 4.871 1.00 0.00 O ATOM 89 CB PRO A 9 -10.776 10.269 5.171 1.00 0.00 C ATOM 90 CG PRO A 9 -9.802 11.386 5.028 1.00 0.00 C ATOM 91 CD PRO A 9 -9.056 11.452 6.333 1.00 0.00 C ATOM 0 HA PRO A 9 -10.752 8.702 6.724 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.025 9.835 4.203 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.710 10.613 5.616 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.120 11.206 4.197 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.313 12.326 4.822 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.026 11.779 6.191 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.520 12.153 7.027 1.00 0.00 H new ATOM 99 N HIS A 10 -8.110 8.409 4.915 1.00 0.00 N ATOM 100 CA HIS A 10 -7.343 7.463 4.113 1.00 0.00 C ATOM 101 C HIS A 10 -6.582 6.484 5.001 1.00 0.00 C ATOM 102 O HIS A 10 -6.438 5.308 4.665 1.00 0.00 O ATOM 103 CB HIS A 10 -6.365 8.207 3.202 1.00 0.00 C ATOM 104 CG HIS A 10 -6.952 8.591 1.880 1.00 0.00 C ATOM 105 ND1 HIS A 10 -7.697 9.732 1.672 1.00 0.00 N ATOM 106 CD2 HIS A 10 -6.890 7.961 0.678 1.00 0.00 C ATOM 107 CE1 HIS A 10 -8.058 9.757 0.382 1.00 0.00 C ATOM 108 NE2 HIS A 10 -7.593 8.706 -0.265 1.00 0.00 N ATOM 0 H HIS A 10 -7.590 9.238 5.203 1.00 0.00 H new ATOM 0 HA HIS A 10 -8.044 6.898 3.499 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -6.019 9.106 3.712 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.490 7.580 3.033 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -6.377 7.030 0.485 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -8.653 10.537 -0.070 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -7.722 8.485 -1.252 1.00 0.00 H new ATOM 116 N ILE A 11 -6.094 6.976 6.136 1.00 0.00 N ATOM 117 CA ILE A 11 -5.347 6.143 7.070 1.00 0.00 C ATOM 118 C ILE A 11 -6.271 5.190 7.822 1.00 0.00 C ATOM 119 O ILE A 11 -5.868 4.090 8.201 1.00 0.00 O ATOM 120 CB ILE A 11 -4.570 6.998 8.090 1.00 0.00 C ATOM 121 CG1 ILE A 11 -3.750 8.071 7.369 1.00 0.00 C ATOM 122 CG2 ILE A 11 -3.667 6.120 8.943 1.00 0.00 C ATOM 123 CD1 ILE A 11 -3.165 9.111 8.300 1.00 0.00 C ATOM 0 H ILE A 11 -6.203 7.947 6.430 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.639 5.564 6.477 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.287 7.492 8.746 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.941 7.590 6.820 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.383 8.568 6.634 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.126 6.740 9.658 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.272 5.390 9.481 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.955 5.600 8.302 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.597 9.839 7.721 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.971 9.618 8.831 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.506 8.626 9.019 1.00 0.00 H new ATOM 135 N GLN A 12 -7.511 5.618 8.034 1.00 0.00 N ATOM 136 CA GLN A 12 -8.491 4.801 8.740 1.00 0.00 C ATOM 137 C GLN A 12 -8.914 3.605 7.892 1.00 0.00 C ATOM 138 O GLN A 12 -9.232 2.539 8.419 1.00 0.00 O ATOM 139 CB GLN A 12 -9.716 5.641 9.109 1.00 0.00 C ATOM 140 CG GLN A 12 -9.744 6.067 10.567 1.00 0.00 C ATOM 141 CD GLN A 12 -10.000 4.906 11.508 1.00 0.00 C ATOM 142 OE1 GLN A 12 -9.240 4.674 12.448 1.00 0.00 O ATOM 143 NE2 GLN A 12 -11.076 4.168 11.259 1.00 0.00 N ATOM 0 H GLN A 12 -7.861 6.526 7.727 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.027 4.429 9.654 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.740 6.530 8.479 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.618 5.070 8.889 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.794 6.535 10.823 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.519 6.821 10.707 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.679 4.396 10.469 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.299 3.373 11.858 1.00 0.00 H new ATOM 152 N LEU A 13 -8.912 3.790 6.575 1.00 0.00 N ATOM 153 CA LEU A 13 -9.295 2.726 5.654 1.00 0.00 C ATOM 154 C LEU A 13 -8.381 1.515 5.810 1.00 0.00 C ATOM 155 O LEU A 13 -8.801 0.377 5.602 1.00 0.00 O ATOM 156 CB LEU A 13 -9.249 3.232 4.211 1.00 0.00 C ATOM 157 CG LEU A 13 -10.374 4.194 3.826 1.00 0.00 C ATOM 158 CD1 LEU A 13 -10.114 4.798 2.455 1.00 0.00 C ATOM 159 CD2 LEU A 13 -11.716 3.479 3.850 1.00 0.00 C ATOM 0 H LEU A 13 -8.650 4.666 6.123 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.314 2.422 5.893 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.294 3.730 4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.280 2.374 3.540 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.402 5.003 4.556 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.925 5.480 2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.171 5.345 2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.059 4.003 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -12.506 4.178 3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -11.700 2.651 3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -11.906 3.095 4.852 1.00 0.00 H new ATOM 171 N LEU A 14 -7.129 1.768 6.176 1.00 0.00 N ATOM 172 CA LEU A 14 -6.155 0.700 6.359 1.00 0.00 C ATOM 173 C LEU A 14 -6.352 0.005 7.703 1.00 0.00 C ATOM 174 O LEU A 14 -6.283 -1.220 7.796 1.00 0.00 O ATOM 175 CB LEU A 14 -4.733 1.255 6.261 1.00 0.00 C ATOM 176 CG LEU A 14 -4.360 1.843 4.899 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.255 2.877 5.049 1.00 0.00 C ATOM 178 CD2 LEU A 14 -3.935 0.740 3.943 1.00 0.00 C ATOM 0 H LEU A 14 -6.765 2.705 6.352 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.306 -0.034 5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.608 2.027 7.020 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.030 0.457 6.500 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.238 2.338 4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.003 3.284 4.070 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.596 3.682 5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.373 2.407 5.484 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.673 1.175 2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.070 0.217 4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.756 0.036 3.812 1.00 0.00 H new ATOM 190 N LYS A 15 -6.598 0.797 8.741 1.00 0.00 N ATOM 191 CA LYS A 15 -6.806 0.258 10.080 1.00 0.00 C ATOM 192 C LYS A 15 -8.171 -0.413 10.189 1.00 0.00 C ATOM 193 O LYS A 15 -8.278 -1.560 10.624 1.00 0.00 O ATOM 194 CB LYS A 15 -6.685 1.368 11.126 1.00 0.00 C ATOM 195 CG LYS A 15 -5.254 1.812 11.378 1.00 0.00 C ATOM 196 CD LYS A 15 -5.196 2.971 12.360 1.00 0.00 C ATOM 197 CE LYS A 15 -4.121 3.974 11.974 1.00 0.00 C ATOM 198 NZ LYS A 15 -2.765 3.524 12.392 1.00 0.00 N ATOM 0 H LYS A 15 -6.658 1.813 8.681 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.036 -0.491 10.266 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.272 2.227 10.801 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.120 1.021 12.064 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.675 0.974 11.767 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.792 2.108 10.436 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.165 3.469 12.394 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.998 2.591 13.362 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.136 4.125 10.895 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.341 4.937 12.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.061 4.236 12.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.742 3.404 13.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.543 2.617 11.933 1.00 0.00 H new ATOM 212 N SER A 16 -9.213 0.310 9.792 1.00 0.00 N ATOM 213 CA SER A 16 -10.573 -0.215 9.845 1.00 0.00 C ATOM 214 C SER A 16 -10.703 -1.475 8.995 1.00 0.00 C ATOM 215 O SER A 16 -11.436 -2.400 9.346 1.00 0.00 O ATOM 216 CB SER A 16 -11.568 0.843 9.365 1.00 0.00 C ATOM 217 OG SER A 16 -12.764 0.801 10.126 1.00 0.00 O ATOM 0 H SER A 16 -9.142 1.261 9.430 1.00 0.00 H new ATOM 0 HA SER A 16 -10.797 -0.472 10.880 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.118 1.833 9.444 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.797 0.680 8.312 1.00 0.00 H new ATOM 0 HG SER A 16 -13.383 1.488 9.801 1.00 0.00 H new ATOM 223 N ASN A 17 -9.987 -1.504 7.875 1.00 0.00 N ATOM 224 CA ASN A 17 -10.022 -2.650 6.974 1.00 0.00 C ATOM 225 C ASN A 17 -8.661 -3.337 6.913 1.00 0.00 C ATOM 226 O ASN A 17 -8.218 -3.769 5.849 1.00 0.00 O ATOM 227 CB ASN A 17 -10.447 -2.210 5.572 1.00 0.00 C ATOM 228 CG ASN A 17 -11.687 -1.337 5.591 1.00 0.00 C ATOM 229 OD1 ASN A 17 -12.812 -1.836 5.550 1.00 0.00 O ATOM 230 ND2 ASN A 17 -11.487 -0.026 5.654 1.00 0.00 N ATOM 0 H ASN A 17 -9.376 -0.747 7.570 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.751 -3.362 7.361 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.629 -1.664 5.102 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.636 -3.091 4.959 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.283 0.611 5.670 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.537 0.344 5.686 1.00 0.00 H new ATOM 237 N ARG A 18 -8.001 -3.434 8.063 1.00 0.00 N ATOM 238 CA ARG A 18 -6.690 -4.069 8.141 1.00 0.00 C ATOM 239 C ARG A 18 -6.794 -5.568 7.882 1.00 0.00 C ATOM 240 O ARG A 18 -6.198 -6.088 6.938 1.00 0.00 O ATOM 241 CB ARG A 18 -6.059 -3.818 9.512 1.00 0.00 C ATOM 242 CG ARG A 18 -4.620 -4.298 9.616 1.00 0.00 C ATOM 243 CD ARG A 18 -4.244 -4.634 11.051 1.00 0.00 C ATOM 244 NE ARG A 18 -3.393 -3.609 11.649 1.00 0.00 N ATOM 245 CZ ARG A 18 -3.852 -2.482 12.189 1.00 0.00 C ATOM 246 NH1 ARG A 18 -5.155 -2.226 12.204 1.00 0.00 N ATOM 247 NH2 ARG A 18 -3.006 -1.608 12.715 1.00 0.00 N ATOM 0 H ARG A 18 -8.352 -3.081 8.953 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.056 -3.630 7.371 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.094 -2.750 9.729 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.656 -4.318 10.275 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.483 -5.178 8.988 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.950 -3.527 9.235 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.150 -4.745 11.646 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.727 -5.593 11.075 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.385 -3.766 11.653 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.811 -2.895 11.800 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.500 -1.361 12.619 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.004 -1.799 12.706 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.357 -0.744 13.129 1.00 0.00 H new ATOM 261 N GLU A 19 -7.554 -6.258 8.727 1.00 0.00 N ATOM 262 CA GLU A 19 -7.736 -7.695 8.593 1.00 0.00 C ATOM 263 C GLU A 19 -8.342 -8.047 7.237 1.00 0.00 C ATOM 264 O GLU A 19 -8.077 -9.114 6.686 1.00 0.00 O ATOM 265 CB GLU A 19 -8.633 -8.212 9.716 1.00 0.00 C ATOM 266 CG GLU A 19 -9.913 -7.410 9.891 1.00 0.00 C ATOM 267 CD GLU A 19 -10.166 -7.020 11.334 1.00 0.00 C ATOM 268 OE1 GLU A 19 -10.674 -7.868 12.099 1.00 0.00 O ATOM 269 OE2 GLU A 19 -9.854 -5.868 11.701 1.00 0.00 O ATOM 0 H GLU A 19 -8.054 -5.842 9.513 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.758 -8.172 8.662 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.890 -9.252 9.514 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.074 -8.198 10.652 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.859 -6.509 9.280 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.756 -7.995 9.524 1.00 0.00 H new ATOM 276 N LEU A 20 -9.158 -7.143 6.706 1.00 0.00 N ATOM 277 CA LEU A 20 -9.802 -7.357 5.416 1.00 0.00 C ATOM 278 C LEU A 20 -8.793 -7.255 4.278 1.00 0.00 C ATOM 279 O LEU A 20 -8.886 -7.977 3.285 1.00 0.00 O ATOM 280 CB LEU A 20 -10.927 -6.342 5.208 1.00 0.00 C ATOM 281 CG LEU A 20 -11.955 -6.722 4.142 1.00 0.00 C ATOM 282 CD1 LEU A 20 -13.134 -7.449 4.771 1.00 0.00 C ATOM 283 CD2 LEU A 20 -12.428 -5.486 3.391 1.00 0.00 C ATOM 0 H LEU A 20 -9.389 -6.254 7.150 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.224 -8.362 5.413 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.446 -6.199 6.156 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.485 -5.383 4.938 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.478 -7.395 3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.855 -7.711 3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.782 -8.357 5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.611 -6.801 5.506 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.159 -5.776 2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.887 -4.788 4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.577 -5.007 2.906 1.00 0.00 H new ATOM 295 N LEU A 21 -7.828 -6.353 4.429 1.00 0.00 N ATOM 296 CA LEU A 21 -6.800 -6.155 3.413 1.00 0.00 C ATOM 297 C LEU A 21 -5.799 -7.306 3.417 1.00 0.00 C ATOM 298 O LEU A 21 -5.249 -7.667 2.377 1.00 0.00 O ATOM 299 CB LEU A 21 -6.071 -4.831 3.647 1.00 0.00 C ATOM 300 CG LEU A 21 -6.818 -3.586 3.163 1.00 0.00 C ATOM 301 CD1 LEU A 21 -6.141 -2.324 3.677 1.00 0.00 C ATOM 302 CD2 LEU A 21 -6.895 -3.570 1.644 1.00 0.00 C ATOM 0 H LEU A 21 -7.736 -5.748 5.245 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.289 -6.127 2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.874 -4.726 4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.104 -4.873 3.147 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.833 -3.616 3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.686 -1.449 3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.136 -2.332 4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.115 -2.286 3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.429 -2.678 1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.887 -3.563 1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.424 -4.458 1.297 1.00 0.00 H new ATOM 314 N VAL A 22 -5.568 -7.879 4.593 1.00 0.00 N ATOM 315 CA VAL A 22 -4.632 -8.988 4.734 1.00 0.00 C ATOM 316 C VAL A 22 -5.116 -10.217 3.969 1.00 0.00 C ATOM 317 O VAL A 22 -4.314 -11.029 3.509 1.00 0.00 O ATOM 318 CB VAL A 22 -4.427 -9.366 6.213 1.00 0.00 C ATOM 319 CG1 VAL A 22 -3.333 -10.414 6.351 1.00 0.00 C ATOM 320 CG2 VAL A 22 -4.099 -8.132 7.041 1.00 0.00 C ATOM 0 H VAL A 22 -6.017 -7.593 5.463 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.682 -8.654 4.317 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.357 -9.792 6.590 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.203 -10.668 7.403 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.613 -11.308 5.794 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.398 -10.018 5.955 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.958 -8.420 8.083 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.185 -7.673 6.664 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.919 -7.418 6.970 1.00 0.00 H new ATOM 330 N THR A 23 -6.432 -10.348 3.838 1.00 0.00 N ATOM 331 CA THR A 23 -7.021 -11.479 3.131 1.00 0.00 C ATOM 332 C THR A 23 -7.303 -11.127 1.674 1.00 0.00 C ATOM 333 O THR A 23 -7.021 -11.912 0.770 1.00 0.00 O ATOM 334 CB THR A 23 -8.314 -11.920 3.820 1.00 0.00 C ATOM 335 OG1 THR A 23 -8.170 -11.879 5.229 1.00 0.00 O ATOM 336 CG2 THR A 23 -8.745 -13.321 3.443 1.00 0.00 C ATOM 0 H THR A 23 -7.111 -9.685 4.212 1.00 0.00 H new ATOM 0 HA THR A 23 -6.305 -12.301 3.154 1.00 0.00 H new ATOM 0 HB THR A 23 -9.076 -11.219 3.480 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.237 -10.951 5.538 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.668 -13.571 3.966 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.912 -13.373 2.367 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.966 -14.029 3.724 1.00 0.00 H new ATOM 344 N HIS A 24 -7.861 -9.941 1.454 1.00 0.00 N ATOM 345 CA HIS A 24 -8.182 -9.485 0.106 1.00 0.00 C ATOM 346 C HIS A 24 -6.928 -9.423 -0.760 1.00 0.00 C ATOM 347 O HIS A 24 -6.877 -10.015 -1.839 1.00 0.00 O ATOM 348 CB HIS A 24 -8.849 -8.110 0.154 1.00 0.00 C ATOM 349 CG HIS A 24 -10.313 -8.162 0.465 1.00 0.00 C ATOM 350 ND1 HIS A 24 -11.104 -9.274 0.269 1.00 0.00 N ATOM 351 CD2 HIS A 24 -11.132 -7.206 0.972 1.00 0.00 C ATOM 352 CE1 HIS A 24 -12.349 -8.964 0.651 1.00 0.00 C ATOM 353 NE2 HIS A 24 -12.420 -7.721 1.087 1.00 0.00 N ATOM 0 H HIS A 24 -8.100 -9.278 2.192 1.00 0.00 H new ATOM 0 HA HIS A 24 -8.874 -10.201 -0.337 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.348 -7.499 0.905 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -8.708 -7.614 -0.806 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -10.795 -10.173 -0.101 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -10.832 -6.205 1.243 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -13.187 -9.644 0.608 1.00 0.00 H new ATOM 361 N ILE A 25 -5.919 -8.702 -0.284 1.00 0.00 N ATOM 362 CA ILE A 25 -4.667 -8.562 -1.015 1.00 0.00 C ATOM 363 C ILE A 25 -3.887 -9.872 -1.021 1.00 0.00 C ATOM 364 O ILE A 25 -3.707 -10.503 0.021 1.00 0.00 O ATOM 365 CB ILE A 25 -3.784 -7.450 -0.416 1.00 0.00 C ATOM 366 CG1 ILE A 25 -4.586 -6.155 -0.270 1.00 0.00 C ATOM 367 CG2 ILE A 25 -2.555 -7.223 -1.282 1.00 0.00 C ATOM 368 CD1 ILE A 25 -3.938 -5.144 0.650 1.00 0.00 C ATOM 0 H ILE A 25 -5.945 -8.205 0.606 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.927 -8.292 -2.039 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.453 -7.764 0.574 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.718 -5.706 -1.254 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.580 -6.393 0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.942 -6.435 -0.845 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.975 -8.144 -1.339 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.866 -6.927 -2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.561 -4.251 0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.830 -5.575 1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.955 -4.877 0.262 1.00 0.00 H new ATOM 380 N ARG A 26 -3.424 -10.273 -2.200 1.00 0.00 N ATOM 381 CA ARG A 26 -2.662 -11.507 -2.343 1.00 0.00 C ATOM 382 C ARG A 26 -1.273 -11.226 -2.908 1.00 0.00 C ATOM 383 O ARG A 26 -0.279 -11.788 -2.449 1.00 0.00 O ATOM 384 CB ARG A 26 -3.405 -12.488 -3.252 1.00 0.00 C ATOM 385 CG ARG A 26 -4.783 -12.868 -2.737 1.00 0.00 C ATOM 386 CD ARG A 26 -5.523 -13.757 -3.725 1.00 0.00 C ATOM 387 NE ARG A 26 -5.354 -15.176 -3.418 1.00 0.00 N ATOM 388 CZ ARG A 26 -6.100 -16.143 -3.948 1.00 0.00 C ATOM 389 NH1 ARG A 26 -7.063 -15.849 -4.811 1.00 0.00 N ATOM 390 NH2 ARG A 26 -5.880 -17.407 -3.613 1.00 0.00 N ATOM 0 H ARG A 26 -3.564 -9.761 -3.071 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.550 -11.952 -1.354 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.506 -12.047 -4.244 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.806 -13.392 -3.364 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.686 -13.386 -1.783 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.365 -11.965 -2.552 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.584 -13.507 -3.713 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.160 -13.559 -4.733 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.622 -15.441 -2.759 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.235 -14.878 -5.072 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.632 -16.594 -5.214 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.140 -17.637 -2.950 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.451 -18.149 -4.018 1.00 0.00 H new ATOM 404 N ASN A 27 -1.212 -10.350 -3.905 1.00 0.00 N ATOM 405 CA ASN A 27 0.054 -9.990 -4.533 1.00 0.00 C ATOM 406 C ASN A 27 0.737 -8.861 -3.771 1.00 0.00 C ATOM 407 O ASN A 27 0.559 -7.685 -4.091 1.00 0.00 O ATOM 408 CB ASN A 27 -0.174 -9.575 -5.988 1.00 0.00 C ATOM 409 CG ASN A 27 -0.896 -10.642 -6.788 1.00 0.00 C ATOM 410 OD1 ASN A 27 -1.093 -11.761 -6.316 1.00 0.00 O ATOM 411 ND2 ASN A 27 -1.294 -10.299 -8.007 1.00 0.00 N ATOM 0 H ASN A 27 -2.026 -9.875 -4.296 1.00 0.00 H new ATOM 0 HA ASN A 27 0.704 -10.865 -4.510 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.753 -8.652 -6.013 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.787 -9.361 -6.457 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.785 -10.975 -8.592 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.109 -9.359 -8.358 1.00 0.00 H new ATOM 418 N THR A 28 1.521 -9.224 -2.760 1.00 0.00 N ATOM 419 CA THR A 28 2.231 -8.240 -1.952 1.00 0.00 C ATOM 420 C THR A 28 3.402 -7.642 -2.726 1.00 0.00 C ATOM 421 O THR A 28 3.722 -6.463 -2.574 1.00 0.00 O ATOM 422 CB THR A 28 2.735 -8.880 -0.659 1.00 0.00 C ATOM 423 OG1 THR A 28 3.622 -9.948 -0.939 1.00 0.00 O ATOM 424 CG2 THR A 28 1.623 -9.424 0.213 1.00 0.00 C ATOM 0 H THR A 28 1.680 -10.192 -2.482 1.00 0.00 H new ATOM 0 HA THR A 28 1.534 -7.439 -1.706 1.00 0.00 H new ATOM 0 HB THR A 28 3.240 -8.079 -0.119 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.934 -10.343 -0.098 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.050 -9.864 1.114 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.948 -8.614 0.489 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.070 -10.186 -0.336 1.00 0.00 H new ATOM 432 N GLN A 29 4.036 -8.463 -3.557 1.00 0.00 N ATOM 433 CA GLN A 29 5.172 -8.014 -4.355 1.00 0.00 C ATOM 434 C GLN A 29 4.744 -6.945 -5.356 1.00 0.00 C ATOM 435 O GLN A 29 5.525 -6.057 -5.702 1.00 0.00 O ATOM 436 CB GLN A 29 5.802 -9.198 -5.092 1.00 0.00 C ATOM 437 CG GLN A 29 6.936 -9.858 -4.324 1.00 0.00 C ATOM 438 CD GLN A 29 8.268 -9.168 -4.543 1.00 0.00 C ATOM 439 OE1 GLN A 29 8.941 -8.775 -3.592 1.00 0.00 O ATOM 440 NE2 GLN A 29 8.655 -9.017 -5.805 1.00 0.00 N ATOM 0 H GLN A 29 3.783 -9.441 -3.695 1.00 0.00 H new ATOM 0 HA GLN A 29 5.910 -7.580 -3.681 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.031 -9.941 -5.295 1.00 0.00 H new ATOM 0 HB3 GLN A 29 6.178 -8.857 -6.057 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.700 -9.854 -3.260 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.017 -10.901 -4.629 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.065 -9.358 -6.564 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.542 -8.560 -6.015 1.00 0.00 H new ATOM 449 N CYS A 30 3.503 -7.038 -5.819 1.00 0.00 N ATOM 450 CA CYS A 30 2.972 -6.080 -6.781 1.00 0.00 C ATOM 451 C CYS A 30 2.867 -4.689 -6.165 1.00 0.00 C ATOM 452 O CYS A 30 3.363 -3.711 -6.725 1.00 0.00 O ATOM 453 CB CYS A 30 1.599 -6.534 -7.279 1.00 0.00 C ATOM 454 SG CYS A 30 1.655 -7.575 -8.757 1.00 0.00 S ATOM 0 H CYS A 30 2.845 -7.767 -5.544 1.00 0.00 H new ATOM 0 HA CYS A 30 3.660 -6.032 -7.625 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.098 -7.082 -6.481 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.992 -5.654 -7.491 1.00 0.00 H new ATOM 0 HG CYS A 30 0.446 -7.909 -9.099 1.00 0.00 H new ATOM 460 N LEU A 31 2.219 -4.608 -5.007 1.00 0.00 N ATOM 461 CA LEU A 31 2.049 -3.336 -4.313 1.00 0.00 C ATOM 462 C LEU A 31 3.400 -2.720 -3.965 1.00 0.00 C ATOM 463 O LEU A 31 3.596 -1.513 -4.101 1.00 0.00 O ATOM 464 CB LEU A 31 1.222 -3.534 -3.041 1.00 0.00 C ATOM 465 CG LEU A 31 -0.228 -3.962 -3.272 1.00 0.00 C ATOM 466 CD1 LEU A 31 -0.947 -4.149 -1.945 1.00 0.00 C ATOM 467 CD2 LEU A 31 -0.954 -2.939 -4.134 1.00 0.00 C ATOM 0 H LEU A 31 1.803 -5.408 -4.530 1.00 0.00 H new ATOM 0 HA LEU A 31 1.522 -2.654 -4.980 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.712 -4.284 -2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.224 -2.602 -2.476 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.226 -4.916 -3.798 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.977 -4.453 -2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.440 -4.918 -1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.940 -3.210 -1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.984 -3.259 -4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.946 -1.971 -3.634 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.452 -2.854 -5.098 1.00 0.00 H new ATOM 479 N VAL A 32 4.329 -3.558 -3.516 1.00 0.00 N ATOM 480 CA VAL A 32 5.661 -3.096 -3.148 1.00 0.00 C ATOM 481 C VAL A 32 6.461 -2.689 -4.381 1.00 0.00 C ATOM 482 O VAL A 32 7.284 -1.774 -4.327 1.00 0.00 O ATOM 483 CB VAL A 32 6.441 -4.179 -2.377 1.00 0.00 C ATOM 484 CG1 VAL A 32 7.766 -3.629 -1.872 1.00 0.00 C ATOM 485 CG2 VAL A 32 5.607 -4.718 -1.224 1.00 0.00 C ATOM 0 H VAL A 32 4.183 -4.561 -3.399 1.00 0.00 H new ATOM 0 HA VAL A 32 5.527 -2.229 -2.502 1.00 0.00 H new ATOM 0 HB VAL A 32 6.653 -5.002 -3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.301 -4.409 -1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.368 -3.296 -2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.580 -2.787 -1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.174 -5.482 -0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.362 -3.905 -0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.687 -5.154 -1.613 1.00 0.00 H new ATOM 495 N ASP A 33 6.217 -3.377 -5.492 1.00 0.00 N ATOM 496 CA ASP A 33 6.915 -3.088 -6.739 1.00 0.00 C ATOM 497 C ASP A 33 6.555 -1.698 -7.256 1.00 0.00 C ATOM 498 O ASP A 33 7.434 -0.895 -7.571 1.00 0.00 O ATOM 499 CB ASP A 33 6.576 -4.143 -7.793 1.00 0.00 C ATOM 500 CG ASP A 33 7.626 -5.232 -7.881 1.00 0.00 C ATOM 501 OD1 ASP A 33 8.825 -4.895 -7.971 1.00 0.00 O ATOM 502 OD2 ASP A 33 7.250 -6.423 -7.860 1.00 0.00 O ATOM 0 H ASP A 33 5.541 -4.138 -5.554 1.00 0.00 H new ATOM 0 HA ASP A 33 7.987 -3.114 -6.541 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.611 -4.591 -7.557 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.474 -3.661 -8.765 1.00 0.00 H new ATOM 507 N ASN A 34 5.258 -1.424 -7.344 1.00 0.00 N ATOM 508 CA ASN A 34 4.781 -0.132 -7.824 1.00 0.00 C ATOM 509 C ASN A 34 5.197 0.990 -6.877 1.00 0.00 C ATOM 510 O ASN A 34 5.631 2.056 -7.313 1.00 0.00 O ATOM 511 CB ASN A 34 3.259 -0.151 -7.976 1.00 0.00 C ATOM 512 CG ASN A 34 2.767 -1.377 -8.717 1.00 0.00 C ATOM 513 OD1 ASN A 34 1.462 -1.614 -8.670 1.00 0.00 O flip ATOM 514 ND2 ASN A 34 3.552 -2.105 -9.326 1.00 0.00 N flip ATOM 0 H ASN A 34 4.519 -2.079 -7.089 1.00 0.00 H new ATOM 0 HA ASN A 34 5.234 0.055 -8.798 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.798 -0.117 -6.989 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.939 0.745 -8.508 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.548 -1.885 -9.336 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.206 -2.927 -9.820 1.00 0.00 H new ATOM 521 N LEU A 35 5.060 0.743 -5.578 1.00 0.00 N ATOM 522 CA LEU A 35 5.421 1.732 -4.569 1.00 0.00 C ATOM 523 C LEU A 35 6.910 2.054 -4.630 1.00 0.00 C ATOM 524 O LEU A 35 7.327 3.172 -4.332 1.00 0.00 O ATOM 525 CB LEU A 35 5.052 1.227 -3.174 1.00 0.00 C ATOM 526 CG LEU A 35 3.553 1.189 -2.873 1.00 0.00 C ATOM 527 CD1 LEU A 35 3.266 0.259 -1.705 1.00 0.00 C ATOM 528 CD2 LEU A 35 3.032 2.589 -2.582 1.00 0.00 C ATOM 0 H LEU A 35 4.702 -0.134 -5.200 1.00 0.00 H new ATOM 0 HA LEU A 35 4.863 2.645 -4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.457 0.223 -3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.539 1.862 -2.434 1.00 0.00 H new ATOM 0 HG LEU A 35 3.035 0.805 -3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.194 0.245 -1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.603 -0.748 -1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.795 0.612 -0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.964 2.543 -2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.556 3.000 -1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.203 3.228 -3.448 1.00 0.00 H new ATOM 540 N LEU A 36 7.708 1.065 -5.019 1.00 0.00 N ATOM 541 CA LEU A 36 9.153 1.242 -5.119 1.00 0.00 C ATOM 542 C LEU A 36 9.521 2.014 -6.384 1.00 0.00 C ATOM 543 O LEU A 36 10.449 2.823 -6.380 1.00 0.00 O ATOM 544 CB LEU A 36 9.857 -0.115 -5.113 1.00 0.00 C ATOM 545 CG LEU A 36 9.981 -0.774 -3.738 1.00 0.00 C ATOM 546 CD1 LEU A 36 10.478 -2.204 -3.873 1.00 0.00 C ATOM 547 CD2 LEU A 36 10.910 0.033 -2.843 1.00 0.00 C ATOM 0 H LEU A 36 7.379 0.133 -5.270 1.00 0.00 H new ATOM 0 HA LEU A 36 9.483 1.818 -4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.316 -0.791 -5.775 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.856 0.009 -5.531 1.00 0.00 H new ATOM 0 HG LEU A 36 8.993 -0.797 -3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.560 -2.656 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.775 -2.778 -4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.456 -2.205 -4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.987 -0.450 -1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.898 0.088 -3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.511 1.040 -2.718 1.00 0.00 H new ATOM 559 N LYS A 37 8.786 1.760 -7.461 1.00 0.00 N ATOM 560 CA LYS A 37 9.036 2.433 -8.732 1.00 0.00 C ATOM 561 C LYS A 37 8.674 3.911 -8.643 1.00 0.00 C ATOM 562 O LYS A 37 9.332 4.759 -9.243 1.00 0.00 O ATOM 563 CB LYS A 37 8.237 1.765 -9.852 1.00 0.00 C ATOM 564 CG LYS A 37 8.885 1.893 -11.222 1.00 0.00 C ATOM 565 CD LYS A 37 8.035 2.726 -12.169 1.00 0.00 C ATOM 566 CE LYS A 37 8.438 2.510 -13.617 1.00 0.00 C ATOM 567 NZ LYS A 37 8.075 3.672 -14.475 1.00 0.00 N ATOM 0 H LYS A 37 8.013 1.094 -7.480 1.00 0.00 H new ATOM 0 HA LYS A 37 10.099 2.351 -8.957 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.111 0.708 -9.616 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.240 2.205 -9.888 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.869 2.350 -11.118 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.038 0.901 -11.647 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.984 2.466 -12.040 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.135 3.782 -11.916 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.513 2.340 -13.673 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.953 1.612 -13.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.367 3.484 -15.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.046 3.819 -14.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.558 4.525 -14.127 1.00 0.00 H new ATOM 581 N ASN A 38 7.620 4.211 -7.891 1.00 0.00 N ATOM 582 CA ASN A 38 7.168 5.587 -7.721 1.00 0.00 C ATOM 583 C ASN A 38 7.973 6.310 -6.641 1.00 0.00 C ATOM 584 O ASN A 38 7.727 7.481 -6.355 1.00 0.00 O ATOM 585 CB ASN A 38 5.680 5.614 -7.365 1.00 0.00 C ATOM 586 CG ASN A 38 4.791 5.459 -8.584 1.00 0.00 C ATOM 587 OD1 ASN A 38 4.095 6.392 -8.982 1.00 0.00 O ATOM 588 ND2 ASN A 38 4.812 4.274 -9.183 1.00 0.00 N ATOM 0 H ASN A 38 7.063 3.519 -7.389 1.00 0.00 H new ATOM 0 HA ASN A 38 7.324 6.107 -8.666 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.464 4.814 -6.657 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.446 6.554 -6.865 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.235 4.109 -10.008 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.405 3.529 -8.818 1.00 0.00 H new ATOM 595 N ASP A 39 8.934 5.607 -6.042 1.00 0.00 N ATOM 596 CA ASP A 39 9.769 6.187 -4.995 1.00 0.00 C ATOM 597 C ASP A 39 8.938 6.514 -3.755 1.00 0.00 C ATOM 598 O ASP A 39 8.918 7.652 -3.288 1.00 0.00 O ATOM 599 CB ASP A 39 10.473 7.447 -5.508 1.00 0.00 C ATOM 600 CG ASP A 39 11.881 7.163 -5.992 1.00 0.00 C ATOM 601 OD1 ASP A 39 12.027 6.610 -7.102 1.00 0.00 O ATOM 602 OD2 ASP A 39 12.838 7.494 -5.262 1.00 0.00 O ATOM 0 H ASP A 39 9.152 4.636 -6.265 1.00 0.00 H new ATOM 0 HA ASP A 39 10.524 5.452 -4.718 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.892 7.879 -6.322 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.508 8.191 -4.712 1.00 0.00 H new ATOM 607 N TYR A 40 8.255 5.504 -3.229 1.00 0.00 N ATOM 608 CA TYR A 40 7.423 5.677 -2.043 1.00 0.00 C ATOM 609 C TYR A 40 7.957 4.845 -0.883 1.00 0.00 C ATOM 610 O TYR A 40 8.025 5.315 0.253 1.00 0.00 O ATOM 611 CB TYR A 40 5.977 5.281 -2.346 1.00 0.00 C ATOM 612 CG TYR A 40 5.127 6.428 -2.845 1.00 0.00 C ATOM 613 CD1 TYR A 40 4.534 7.316 -1.958 1.00 0.00 C ATOM 614 CD2 TYR A 40 4.917 6.621 -4.205 1.00 0.00 C ATOM 615 CE1 TYR A 40 3.755 8.364 -2.410 1.00 0.00 C ATOM 616 CE2 TYR A 40 4.140 7.667 -4.666 1.00 0.00 C ATOM 617 CZ TYR A 40 3.561 8.535 -3.764 1.00 0.00 C ATOM 618 OH TYR A 40 2.788 9.579 -4.219 1.00 0.00 O ATOM 0 H TYR A 40 8.261 4.556 -3.605 1.00 0.00 H new ATOM 0 HA TYR A 40 7.451 6.729 -1.758 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.975 4.487 -3.093 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.525 4.871 -1.443 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.684 7.186 -0.896 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.368 5.942 -4.914 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.301 9.046 -1.706 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.987 7.804 -5.726 1.00 0.00 H new ATOM 0 HH TYR A 40 2.753 9.558 -5.198 1.00 0.00 H new ATOM 628 N PHE A 41 8.334 3.605 -1.177 1.00 0.00 N ATOM 629 CA PHE A 41 8.863 2.704 -0.159 1.00 0.00 C ATOM 630 C PHE A 41 10.385 2.643 -0.227 1.00 0.00 C ATOM 631 O PHE A 41 10.972 2.704 -1.308 1.00 0.00 O ATOM 632 CB PHE A 41 8.276 1.302 -0.333 1.00 0.00 C ATOM 633 CG PHE A 41 7.062 1.050 0.516 1.00 0.00 C ATOM 634 CD1 PHE A 41 5.975 1.908 0.467 1.00 0.00 C ATOM 635 CD2 PHE A 41 7.010 -0.045 1.364 1.00 0.00 C ATOM 636 CE1 PHE A 41 4.858 1.679 1.248 1.00 0.00 C ATOM 637 CE2 PHE A 41 5.895 -0.281 2.146 1.00 0.00 C ATOM 638 CZ PHE A 41 4.817 0.583 2.088 1.00 0.00 C ATOM 0 H PHE A 41 8.283 3.201 -2.112 1.00 0.00 H new ATOM 0 HA PHE A 41 8.575 3.091 0.819 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.014 1.154 -1.381 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.040 0.564 -0.088 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.001 2.766 -0.189 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.850 -0.722 1.414 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.018 2.356 1.202 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.866 -1.139 2.801 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.945 0.401 2.698 1.00 0.00 H new ATOM 648 N SER A 42 11.021 2.522 0.934 1.00 0.00 N ATOM 649 CA SER A 42 12.475 2.453 1.005 1.00 0.00 C ATOM 650 C SER A 42 12.941 1.018 1.235 1.00 0.00 C ATOM 651 O SER A 42 12.153 0.153 1.618 1.00 0.00 O ATOM 652 CB SER A 42 12.996 3.357 2.124 1.00 0.00 C ATOM 653 OG SER A 42 12.248 4.558 2.199 1.00 0.00 O ATOM 0 H SER A 42 10.552 2.470 1.838 1.00 0.00 H new ATOM 0 HA SER A 42 12.877 2.798 0.053 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.941 2.830 3.077 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.046 3.589 1.949 1.00 0.00 H new ATOM 0 HG SER A 42 11.447 4.411 2.744 1.00 0.00 H new ATOM 659 N ALA A 43 14.226 0.774 1.001 1.00 0.00 N ATOM 660 CA ALA A 43 14.797 -0.555 1.182 1.00 0.00 C ATOM 661 C ALA A 43 14.617 -1.038 2.617 1.00 0.00 C ATOM 662 O ALA A 43 14.326 -2.211 2.857 1.00 0.00 O ATOM 663 CB ALA A 43 16.271 -0.551 0.807 1.00 0.00 C ATOM 0 H ALA A 43 14.892 1.480 0.686 1.00 0.00 H new ATOM 0 HA ALA A 43 14.267 -1.244 0.524 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.685 -1.550 0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.380 -0.256 -0.237 1.00 0.00 H new ATOM 0 HB3 ALA A 43 16.806 0.156 1.442 1.00 0.00 H new ATOM 669 N GLU A 44 14.789 -0.127 3.568 1.00 0.00 N ATOM 670 CA GLU A 44 14.645 -0.459 4.982 1.00 0.00 C ATOM 671 C GLU A 44 13.233 -0.950 5.285 1.00 0.00 C ATOM 672 O GLU A 44 13.025 -1.739 6.206 1.00 0.00 O ATOM 673 CB GLU A 44 14.970 0.760 5.848 1.00 0.00 C ATOM 674 CG GLU A 44 16.461 0.990 6.039 1.00 0.00 C ATOM 675 CD GLU A 44 16.821 1.325 7.473 1.00 0.00 C ATOM 676 OE1 GLU A 44 16.357 2.371 7.973 1.00 0.00 O ATOM 677 OE2 GLU A 44 17.566 0.540 8.097 1.00 0.00 O ATOM 0 H GLU A 44 15.028 0.848 3.386 1.00 0.00 H new ATOM 0 HA GLU A 44 15.346 -1.260 5.215 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.529 1.647 5.393 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.502 0.637 6.825 1.00 0.00 H new ATOM 0 HG2 GLU A 44 17.005 0.097 5.731 1.00 0.00 H new ATOM 0 HG3 GLU A 44 16.786 1.801 5.388 1.00 0.00 H new ATOM 684 N ASP A 45 12.265 -0.476 4.507 1.00 0.00 N ATOM 685 CA ASP A 45 10.873 -0.867 4.695 1.00 0.00 C ATOM 686 C ASP A 45 10.588 -2.213 4.034 1.00 0.00 C ATOM 687 O ASP A 45 10.037 -3.119 4.658 1.00 0.00 O ATOM 688 CB ASP A 45 9.941 0.202 4.122 1.00 0.00 C ATOM 689 CG ASP A 45 10.271 1.590 4.633 1.00 0.00 C ATOM 690 OD1 ASP A 45 9.980 1.873 5.814 1.00 0.00 O ATOM 691 OD2 ASP A 45 10.821 2.394 3.853 1.00 0.00 O ATOM 0 H ASP A 45 12.419 0.179 3.741 1.00 0.00 H new ATOM 0 HA ASP A 45 10.692 -0.964 5.765 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.008 0.193 3.034 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.911 -0.042 4.380 1.00 0.00 H new ATOM 696 N ALA A 46 10.967 -2.334 2.765 1.00 0.00 N ATOM 697 CA ALA A 46 10.751 -3.567 2.016 1.00 0.00 C ATOM 698 C ALA A 46 11.444 -4.748 2.688 1.00 0.00 C ATOM 699 O ALA A 46 10.988 -5.887 2.586 1.00 0.00 O ATOM 700 CB ALA A 46 11.244 -3.407 0.587 1.00 0.00 C ATOM 0 H ALA A 46 11.425 -1.593 2.234 1.00 0.00 H new ATOM 0 HA ALA A 46 9.680 -3.771 2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.077 -4.334 0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.700 -2.596 0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.309 -3.176 0.593 1.00 0.00 H new ATOM 706 N GLU A 47 12.549 -4.470 3.374 1.00 0.00 N ATOM 707 CA GLU A 47 13.305 -5.511 4.060 1.00 0.00 C ATOM 708 C GLU A 47 12.501 -6.095 5.218 1.00 0.00 C ATOM 709 O GLU A 47 12.601 -7.285 5.517 1.00 0.00 O ATOM 710 CB GLU A 47 14.633 -4.951 4.575 1.00 0.00 C ATOM 711 CG GLU A 47 15.802 -5.905 4.402 1.00 0.00 C ATOM 712 CD GLU A 47 17.068 -5.404 5.070 1.00 0.00 C ATOM 713 OE1 GLU A 47 17.242 -5.663 6.279 1.00 0.00 O ATOM 714 OE2 GLU A 47 17.883 -4.753 4.385 1.00 0.00 O ATOM 0 H GLU A 47 12.940 -3.533 3.469 1.00 0.00 H new ATOM 0 HA GLU A 47 13.508 -6.308 3.345 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.853 -4.021 4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.529 -4.705 5.632 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.537 -6.877 4.817 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.991 -6.053 3.339 1.00 0.00 H new ATOM 721 N ILE A 48 11.706 -5.251 5.866 1.00 0.00 N ATOM 722 CA ILE A 48 10.886 -5.684 6.992 1.00 0.00 C ATOM 723 C ILE A 48 9.708 -6.530 6.521 1.00 0.00 C ATOM 724 O ILE A 48 9.375 -7.545 7.133 1.00 0.00 O ATOM 725 CB ILE A 48 10.353 -4.482 7.796 1.00 0.00 C ATOM 726 CG1 ILE A 48 11.497 -3.531 8.154 1.00 0.00 C ATOM 727 CG2 ILE A 48 9.641 -4.957 9.054 1.00 0.00 C ATOM 728 CD1 ILE A 48 11.039 -2.120 8.452 1.00 0.00 C ATOM 0 H ILE A 48 11.612 -4.263 5.631 1.00 0.00 H new ATOM 0 HA ILE A 48 11.527 -6.286 7.636 1.00 0.00 H new ATOM 0 HB ILE A 48 9.636 -3.942 7.178 1.00 0.00 H new ATOM 0 HG12 ILE A 48 12.027 -3.923 9.022 1.00 0.00 H new ATOM 0 HG13 ILE A 48 12.210 -3.507 7.330 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.271 -4.096 9.610 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.804 -5.598 8.778 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.338 -5.518 9.676 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.902 -1.502 8.698 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.535 -1.709 7.577 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.349 -2.132 9.296 1.00 0.00 H new ATOM 740 N VAL A 49 9.079 -6.106 5.429 1.00 0.00 N ATOM 741 CA VAL A 49 7.936 -6.824 4.877 1.00 0.00 C ATOM 742 C VAL A 49 8.309 -8.259 4.517 1.00 0.00 C ATOM 743 O VAL A 49 7.689 -9.210 4.995 1.00 0.00 O ATOM 744 CB VAL A 49 7.383 -6.121 3.623 1.00 0.00 C ATOM 745 CG1 VAL A 49 6.079 -6.766 3.179 1.00 0.00 C ATOM 746 CG2 VAL A 49 7.188 -4.635 3.887 1.00 0.00 C ATOM 0 H VAL A 49 9.342 -5.269 4.909 1.00 0.00 H new ATOM 0 HA VAL A 49 7.167 -6.833 5.649 1.00 0.00 H new ATOM 0 HB VAL A 49 8.109 -6.232 2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.704 -6.255 2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.253 -7.817 2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.344 -6.689 3.980 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.797 -4.154 2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.483 -4.501 4.708 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.144 -4.184 4.153 1.00 0.00 H new ATOM 756 N CYS A 50 9.326 -8.407 3.674 1.00 0.00 N ATOM 757 CA CYS A 50 9.781 -9.727 3.252 1.00 0.00 C ATOM 758 C CYS A 50 10.226 -10.559 4.450 1.00 0.00 C ATOM 759 O CYS A 50 10.130 -11.787 4.436 1.00 0.00 O ATOM 760 CB CYS A 50 10.931 -9.595 2.252 1.00 0.00 C ATOM 761 SG CYS A 50 10.423 -9.020 0.615 1.00 0.00 S ATOM 0 H CYS A 50 9.850 -7.631 3.270 1.00 0.00 H new ATOM 0 HA CYS A 50 8.946 -10.236 2.771 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.671 -8.903 2.655 1.00 0.00 H new ATOM 0 HB3 CYS A 50 11.422 -10.563 2.149 1.00 0.00 H new ATOM 0 HG CYS A 50 11.464 -8.938 -0.159 1.00 0.00 H new ATOM 767 N ALA A 51 10.715 -9.884 5.485 1.00 0.00 N ATOM 768 CA ALA A 51 11.176 -10.560 6.692 1.00 0.00 C ATOM 769 C ALA A 51 10.067 -11.409 7.311 1.00 0.00 C ATOM 770 O ALA A 51 10.339 -12.360 8.043 1.00 0.00 O ATOM 771 CB ALA A 51 11.689 -9.545 7.701 1.00 0.00 C ATOM 0 H ALA A 51 10.802 -8.868 5.512 1.00 0.00 H new ATOM 0 HA ALA A 51 11.992 -11.226 6.413 1.00 0.00 H new ATOM 0 HB1 ALA A 51 12.030 -10.063 8.597 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.519 -8.987 7.266 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.887 -8.856 7.964 1.00 0.00 H new ATOM 777 N CYS A 52 8.819 -11.058 7.014 1.00 0.00 N ATOM 778 CA CYS A 52 7.672 -11.789 7.543 1.00 0.00 C ATOM 779 C CYS A 52 7.769 -13.277 7.210 1.00 0.00 C ATOM 780 O CYS A 52 8.286 -13.653 6.158 1.00 0.00 O ATOM 781 CB CYS A 52 6.371 -11.212 6.981 1.00 0.00 C ATOM 782 SG CYS A 52 5.801 -9.718 7.824 1.00 0.00 S ATOM 0 H CYS A 52 8.576 -10.272 6.410 1.00 0.00 H new ATOM 0 HA CYS A 52 7.673 -11.679 8.627 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.512 -10.988 5.924 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.592 -11.972 7.045 1.00 0.00 H new ATOM 0 HG CYS A 52 6.226 -8.669 7.184 1.00 0.00 H new ATOM 788 N PRO A 53 7.274 -14.146 8.108 1.00 0.00 N ATOM 789 CA PRO A 53 7.309 -15.596 7.904 1.00 0.00 C ATOM 790 C PRO A 53 6.256 -16.073 6.908 1.00 0.00 C ATOM 791 O PRO A 53 6.539 -16.895 6.038 1.00 0.00 O ATOM 792 CB PRO A 53 7.016 -16.150 9.297 1.00 0.00 C ATOM 793 CG PRO A 53 6.174 -15.106 9.945 1.00 0.00 C ATOM 794 CD PRO A 53 6.642 -13.784 9.392 1.00 0.00 C ATOM 0 HA PRO A 53 8.260 -15.926 7.486 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.492 -17.104 9.242 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.935 -16.322 9.857 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.118 -15.267 9.727 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.284 -15.135 11.029 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.811 -13.093 9.249 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.349 -13.297 10.063 1.00 0.00 H new ATOM 802 N THR A 54 5.040 -15.553 7.045 1.00 0.00 N ATOM 803 CA THR A 54 3.945 -15.928 6.157 1.00 0.00 C ATOM 804 C THR A 54 3.519 -14.750 5.287 1.00 0.00 C ATOM 805 O THR A 54 4.115 -13.675 5.343 1.00 0.00 O ATOM 806 CB THR A 54 2.753 -16.431 6.973 1.00 0.00 C ATOM 807 OG1 THR A 54 2.317 -15.441 7.887 1.00 0.00 O ATOM 808 CG2 THR A 54 3.057 -17.685 7.765 1.00 0.00 C ATOM 0 H THR A 54 4.788 -14.872 7.761 1.00 0.00 H new ATOM 0 HA THR A 54 4.296 -16.727 5.505 1.00 0.00 H new ATOM 0 HB THR A 54 1.979 -16.661 6.241 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.553 -15.781 8.398 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.170 -17.988 8.321 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.349 -18.484 7.083 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.872 -17.487 8.462 1.00 0.00 H new ATOM 816 N GLN A 55 2.480 -14.962 4.483 1.00 0.00 N ATOM 817 CA GLN A 55 1.973 -13.919 3.600 1.00 0.00 C ATOM 818 C GLN A 55 1.105 -12.924 4.369 1.00 0.00 C ATOM 819 O GLN A 55 1.334 -11.716 4.313 1.00 0.00 O ATOM 820 CB GLN A 55 1.169 -14.538 2.453 1.00 0.00 C ATOM 821 CG GLN A 55 1.573 -14.024 1.081 1.00 0.00 C ATOM 822 CD GLN A 55 2.551 -14.945 0.378 1.00 0.00 C ATOM 823 OE1 GLN A 55 2.159 -15.958 -0.202 1.00 0.00 O ATOM 824 NE2 GLN A 55 3.831 -14.598 0.427 1.00 0.00 N ATOM 0 H GLN A 55 1.974 -15.846 4.426 1.00 0.00 H new ATOM 0 HA GLN A 55 2.827 -13.382 3.187 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.292 -15.621 2.477 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.110 -14.334 2.611 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.682 -13.907 0.464 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.021 -13.036 1.185 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.111 -13.750 0.919 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.535 -15.180 -0.027 1.00 0.00 H new ATOM 833 N PRO A 56 0.094 -13.422 5.104 1.00 0.00 N ATOM 834 CA PRO A 56 -0.805 -12.567 5.887 1.00 0.00 C ATOM 835 C PRO A 56 -0.045 -11.590 6.778 1.00 0.00 C ATOM 836 O PRO A 56 -0.538 -10.506 7.090 1.00 0.00 O ATOM 837 CB PRO A 56 -1.593 -13.566 6.737 1.00 0.00 C ATOM 838 CG PRO A 56 -1.572 -14.830 5.951 1.00 0.00 C ATOM 839 CD PRO A 56 -0.250 -14.851 5.232 1.00 0.00 C ATOM 0 HA PRO A 56 -1.431 -11.942 5.250 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.134 -13.701 7.716 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.613 -13.223 6.908 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.675 -15.697 6.604 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.401 -14.863 5.244 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.506 -15.397 5.797 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.330 -15.334 4.258 1.00 0.00 H new ATOM 847 N ASP A 57 1.158 -11.982 7.183 1.00 0.00 N ATOM 848 CA ASP A 57 1.989 -11.141 8.038 1.00 0.00 C ATOM 849 C ASP A 57 2.609 -10.000 7.237 1.00 0.00 C ATOM 850 O ASP A 57 2.781 -8.892 7.747 1.00 0.00 O ATOM 851 CB ASP A 57 3.087 -11.978 8.700 1.00 0.00 C ATOM 852 CG ASP A 57 3.120 -11.802 10.205 1.00 0.00 C ATOM 853 OD1 ASP A 57 2.055 -11.517 10.793 1.00 0.00 O ATOM 854 OD2 ASP A 57 4.210 -11.947 10.797 1.00 0.00 O ATOM 0 H ASP A 57 1.580 -12.877 6.933 1.00 0.00 H new ATOM 0 HA ASP A 57 1.355 -10.712 8.814 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.930 -13.030 8.463 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.054 -11.698 8.283 1.00 0.00 H new ATOM 859 N LYS A 58 2.944 -10.279 5.981 1.00 0.00 N ATOM 860 CA LYS A 58 3.545 -9.277 5.109 1.00 0.00 C ATOM 861 C LYS A 58 2.581 -8.122 4.862 1.00 0.00 C ATOM 862 O LYS A 58 2.946 -6.954 5.000 1.00 0.00 O ATOM 863 CB LYS A 58 3.953 -9.908 3.777 1.00 0.00 C ATOM 864 CG LYS A 58 5.086 -10.914 3.902 1.00 0.00 C ATOM 865 CD LYS A 58 5.227 -11.754 2.643 1.00 0.00 C ATOM 866 CE LYS A 58 6.662 -12.206 2.432 1.00 0.00 C ATOM 867 NZ LYS A 58 6.998 -13.395 3.262 1.00 0.00 N ATOM 0 H LYS A 58 2.809 -11.191 5.545 1.00 0.00 H new ATOM 0 HA LYS A 58 4.433 -8.886 5.606 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.086 -10.402 3.338 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.253 -9.119 3.088 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.021 -10.388 4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.903 -11.565 4.757 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.576 -12.626 2.711 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.896 -11.176 1.780 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.817 -12.443 1.379 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.340 -11.389 2.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.692 -13.984 2.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.400 -13.083 4.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.136 -13.950 3.438 1.00 0.00 H new ATOM 881 N VAL A 59 1.347 -8.456 4.496 1.00 0.00 N ATOM 882 CA VAL A 59 0.329 -7.448 4.226 1.00 0.00 C ATOM 883 C VAL A 59 0.123 -6.536 5.430 1.00 0.00 C ATOM 884 O VAL A 59 -0.140 -5.342 5.281 1.00 0.00 O ATOM 885 CB VAL A 59 -1.018 -8.096 3.853 1.00 0.00 C ATOM 886 CG1 VAL A 59 -2.007 -7.041 3.383 1.00 0.00 C ATOM 887 CG2 VAL A 59 -0.819 -9.163 2.787 1.00 0.00 C ATOM 0 H VAL A 59 1.028 -9.418 4.380 1.00 0.00 H new ATOM 0 HA VAL A 59 0.687 -6.857 3.383 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.429 -8.574 4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.952 -7.518 3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.173 -6.317 4.180 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.606 -6.531 2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.781 -9.610 2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.385 -8.710 1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.148 -9.934 3.165 1.00 0.00 H new ATOM 897 N ARG A 60 0.243 -7.104 6.626 1.00 0.00 N ATOM 898 CA ARG A 60 0.070 -6.341 7.856 1.00 0.00 C ATOM 899 C ARG A 60 1.240 -5.386 8.073 1.00 0.00 C ATOM 900 O ARG A 60 1.078 -4.311 8.652 1.00 0.00 O ATOM 901 CB ARG A 60 -0.063 -7.283 9.052 1.00 0.00 C ATOM 902 CG ARG A 60 -0.627 -6.612 10.296 1.00 0.00 C ATOM 903 CD ARG A 60 0.311 -6.751 11.487 1.00 0.00 C ATOM 904 NE ARG A 60 0.519 -5.477 12.171 1.00 0.00 N ATOM 905 CZ ARG A 60 1.350 -5.314 13.197 1.00 0.00 C ATOM 906 NH1 ARG A 60 2.051 -6.341 13.662 1.00 0.00 N ATOM 907 NH2 ARG A 60 1.481 -4.121 13.761 1.00 0.00 N ATOM 0 H ARG A 60 0.459 -8.090 6.769 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.843 -5.753 7.763 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.707 -8.118 8.776 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.917 -7.700 9.286 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.801 -5.556 10.092 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.593 -7.053 10.541 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.100 -7.477 12.189 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.271 -7.142 11.149 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.004 -4.665 11.843 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.954 -7.261 13.232 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.687 -6.210 14.449 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.945 -3.328 13.408 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.118 -3.996 14.548 1.00 0.00 H new ATOM 921 N LYS A 61 2.418 -5.785 7.605 1.00 0.00 N ATOM 922 CA LYS A 61 3.616 -4.965 7.749 1.00 0.00 C ATOM 923 C LYS A 61 3.541 -3.733 6.853 1.00 0.00 C ATOM 924 O LYS A 61 3.972 -2.647 7.239 1.00 0.00 O ATOM 925 CB LYS A 61 4.863 -5.784 7.408 1.00 0.00 C ATOM 926 CG LYS A 61 6.165 -5.042 7.661 1.00 0.00 C ATOM 927 CD LYS A 61 6.348 -4.720 9.136 1.00 0.00 C ATOM 928 CE LYS A 61 6.541 -5.980 9.964 1.00 0.00 C ATOM 929 NZ LYS A 61 5.670 -5.990 11.171 1.00 0.00 N ATOM 0 H LYS A 61 2.569 -6.671 7.123 1.00 0.00 H new ATOM 0 HA LYS A 61 3.679 -4.635 8.786 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.857 -6.702 7.996 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.819 -6.077 6.359 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.003 -5.647 7.313 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.177 -4.118 7.082 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.211 -4.066 9.262 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.478 -4.174 9.501 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.322 -6.854 9.351 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.585 -6.058 10.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.832 -6.866 11.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.896 -5.170 11.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.673 -5.942 10.880 1.00 0.00 H new ATOM 943 N ILE A 62 2.991 -3.909 5.656 1.00 0.00 N ATOM 944 CA ILE A 62 2.859 -2.810 4.708 1.00 0.00 C ATOM 945 C ILE A 62 1.918 -1.737 5.243 1.00 0.00 C ATOM 946 O ILE A 62 2.184 -0.542 5.112 1.00 0.00 O ATOM 947 CB ILE A 62 2.338 -3.303 3.342 1.00 0.00 C ATOM 948 CG1 ILE A 62 3.198 -4.461 2.831 1.00 0.00 C ATOM 949 CG2 ILE A 62 2.326 -2.162 2.335 1.00 0.00 C ATOM 950 CD1 ILE A 62 2.738 -5.011 1.498 1.00 0.00 C ATOM 0 H ILE A 62 2.630 -4.802 5.320 1.00 0.00 H new ATOM 0 HA ILE A 62 3.854 -2.385 4.574 1.00 0.00 H new ATOM 0 HB ILE A 62 1.316 -3.661 3.468 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.230 -4.124 2.739 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.189 -5.263 3.569 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.956 -2.526 1.377 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.676 -1.365 2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.338 -1.776 2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.393 -5.829 1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.716 -5.379 1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.774 -4.222 0.747 1.00 0.00 H new ATOM 962 N LEU A 63 0.815 -2.170 5.846 1.00 0.00 N ATOM 963 CA LEU A 63 -0.166 -1.244 6.401 1.00 0.00 C ATOM 964 C LEU A 63 0.453 -0.392 7.504 1.00 0.00 C ATOM 965 O LEU A 63 0.260 0.822 7.546 1.00 0.00 O ATOM 966 CB LEU A 63 -1.371 -2.011 6.949 1.00 0.00 C ATOM 967 CG LEU A 63 -2.054 -2.946 5.949 1.00 0.00 C ATOM 968 CD1 LEU A 63 -2.812 -4.045 6.677 1.00 0.00 C ATOM 969 CD2 LEU A 63 -2.988 -2.162 5.040 1.00 0.00 C ATOM 0 H LEU A 63 0.578 -3.155 5.963 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.498 -0.584 5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.048 -2.597 7.809 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.106 -1.292 7.311 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.286 -3.412 5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.291 -4.700 5.949 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.117 -4.625 7.285 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.572 -3.599 7.319 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.465 -2.842 4.335 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.751 -1.668 5.641 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.417 -1.413 4.491 1.00 0.00 H new ATOM 981 N ASP A 64 1.199 -1.038 8.395 1.00 0.00 N ATOM 982 CA ASP A 64 1.848 -0.340 9.498 1.00 0.00 C ATOM 983 C ASP A 64 2.845 0.689 8.978 1.00 0.00 C ATOM 984 O ASP A 64 3.041 1.742 9.584 1.00 0.00 O ATOM 985 CB ASP A 64 2.559 -1.337 10.415 1.00 0.00 C ATOM 986 CG ASP A 64 2.461 -0.950 11.878 1.00 0.00 C ATOM 987 OD1 ASP A 64 3.166 -0.004 12.289 1.00 0.00 O ATOM 988 OD2 ASP A 64 1.679 -1.591 12.611 1.00 0.00 O ATOM 0 H ASP A 64 1.369 -2.044 8.374 1.00 0.00 H new ATOM 0 HA ASP A 64 1.078 0.180 10.068 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.127 -2.328 10.275 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.609 -1.404 10.129 1.00 0.00 H new ATOM 993 N LEU A 65 3.472 0.377 7.848 1.00 0.00 N ATOM 994 CA LEU A 65 4.450 1.275 7.244 1.00 0.00 C ATOM 995 C LEU A 65 3.768 2.500 6.644 1.00 0.00 C ATOM 996 O LEU A 65 4.125 3.636 6.958 1.00 0.00 O ATOM 997 CB LEU A 65 5.248 0.541 6.165 1.00 0.00 C ATOM 998 CG LEU A 65 6.350 -0.380 6.689 1.00 0.00 C ATOM 999 CD1 LEU A 65 6.830 -1.318 5.592 1.00 0.00 C ATOM 1000 CD2 LEU A 65 7.510 0.437 7.238 1.00 0.00 C ATOM 0 H LEU A 65 3.320 -0.490 7.333 1.00 0.00 H new ATOM 0 HA LEU A 65 5.131 1.609 8.027 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.558 -0.050 5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.698 1.280 5.502 1.00 0.00 H new ATOM 0 HG LEU A 65 5.938 -0.982 7.499 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.614 -1.965 5.984 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.996 -1.928 5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.224 -0.734 4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.285 -0.234 7.607 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.920 1.065 6.447 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.157 1.067 8.055 1.00 0.00 H new ATOM 1012 N VAL A 66 2.786 2.262 5.780 1.00 0.00 N ATOM 1013 CA VAL A 66 2.056 3.349 5.137 1.00 0.00 C ATOM 1014 C VAL A 66 1.385 4.247 6.171 1.00 0.00 C ATOM 1015 O VAL A 66 1.470 5.472 6.091 1.00 0.00 O ATOM 1016 CB VAL A 66 0.985 2.811 4.169 1.00 0.00 C ATOM 1017 CG1 VAL A 66 0.370 3.949 3.367 1.00 0.00 C ATOM 1018 CG2 VAL A 66 1.579 1.757 3.245 1.00 0.00 C ATOM 0 H VAL A 66 2.478 1.328 5.509 1.00 0.00 H new ATOM 0 HA VAL A 66 2.786 3.930 4.573 1.00 0.00 H new ATOM 0 HB VAL A 66 0.195 2.342 4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.384 3.550 2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.095 4.663 4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.148 4.450 2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.807 1.389 2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.390 2.197 2.665 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.966 0.929 3.839 1.00 0.00 H new ATOM 1028 N GLN A 67 0.718 3.630 7.140 1.00 0.00 N ATOM 1029 CA GLN A 67 0.032 4.373 8.190 1.00 0.00 C ATOM 1030 C GLN A 67 1.013 5.239 8.975 1.00 0.00 C ATOM 1031 O GLN A 67 0.653 6.305 9.475 1.00 0.00 O ATOM 1032 CB GLN A 67 -0.690 3.412 9.137 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.751 2.565 8.452 1.00 0.00 C ATOM 1034 CD GLN A 67 -2.009 1.258 9.174 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -1.085 0.626 9.688 1.00 0.00 O ATOM 1036 NE2 GLN A 67 -3.269 0.843 9.215 1.00 0.00 N ATOM 0 H GLN A 67 0.638 2.616 7.220 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.702 5.025 7.717 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.044 2.754 9.602 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.156 3.986 9.938 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.680 3.132 8.392 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.439 2.355 7.429 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.003 1.398 8.776 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.503 -0.031 9.686 1.00 0.00 H new ATOM 1045 N SER A 68 2.253 4.774 9.078 1.00 0.00 N ATOM 1046 CA SER A 68 3.286 5.505 9.802 1.00 0.00 C ATOM 1047 C SER A 68 3.861 6.627 8.943 1.00 0.00 C ATOM 1048 O SER A 68 4.236 7.683 9.452 1.00 0.00 O ATOM 1049 CB SER A 68 4.404 4.556 10.236 1.00 0.00 C ATOM 1050 OG SER A 68 4.163 4.045 11.536 1.00 0.00 O ATOM 0 H SER A 68 2.567 3.894 8.669 1.00 0.00 H new ATOM 0 HA SER A 68 2.830 5.946 10.688 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.482 3.732 9.527 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.359 5.082 10.220 1.00 0.00 H new ATOM 0 HG SER A 68 4.891 3.440 11.790 1.00 0.00 H new ATOM 1056 N LYS A 69 3.929 6.390 7.638 1.00 0.00 N ATOM 1057 CA LYS A 69 4.458 7.380 6.707 1.00 0.00 C ATOM 1058 C LYS A 69 3.637 8.665 6.753 1.00 0.00 C ATOM 1059 O LYS A 69 4.120 9.706 7.197 1.00 0.00 O ATOM 1060 CB LYS A 69 4.470 6.818 5.284 1.00 0.00 C ATOM 1061 CG LYS A 69 5.577 5.808 5.038 1.00 0.00 C ATOM 1062 CD LYS A 69 5.620 5.374 3.582 1.00 0.00 C ATOM 1063 CE LYS A 69 6.330 4.040 3.419 1.00 0.00 C ATOM 1064 NZ LYS A 69 7.760 4.119 3.827 1.00 0.00 N ATOM 0 H LYS A 69 3.624 5.520 7.200 1.00 0.00 H new ATOM 0 HA LYS A 69 5.480 7.613 7.006 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.508 6.347 5.080 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.578 7.642 4.578 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.537 6.243 5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.424 4.936 5.674 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.604 5.296 3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.130 6.134 2.990 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.823 3.283 4.018 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.266 3.719 2.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.213 3.194 3.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.246 4.835 3.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.820 4.384 4.831 1.00 0.00 H new ATOM 1078 N GLY A 70 2.394 8.583 6.290 1.00 0.00 N ATOM 1079 CA GLY A 70 1.527 9.746 6.287 1.00 0.00 C ATOM 1080 C GLY A 70 0.387 9.618 5.295 1.00 0.00 C ATOM 1081 O GLY A 70 0.251 8.596 4.623 1.00 0.00 O ATOM 0 H GLY A 70 1.972 7.732 5.917 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.119 9.894 7.287 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.114 10.633 6.048 1.00 0.00 H new ATOM 1085 N GLU A 71 -0.434 10.660 5.203 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.567 10.662 4.287 1.00 0.00 C ATOM 1087 C GLU A 71 -1.096 10.712 2.836 1.00 0.00 C ATOM 1088 O GLU A 71 -1.772 10.211 1.937 1.00 0.00 O ATOM 1089 CB GLU A 71 -2.485 11.850 4.579 1.00 0.00 C ATOM 1090 CG GLU A 71 -3.557 11.552 5.612 1.00 0.00 C ATOM 1091 CD GLU A 71 -4.706 12.539 5.563 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -4.944 13.121 4.483 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -5.368 12.733 6.604 1.00 0.00 O ATOM 0 H GLU A 71 -0.335 11.514 5.752 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.123 9.737 4.437 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.881 12.688 4.926 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.964 12.165 3.652 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.941 10.545 5.451 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.112 11.568 6.607 1.00 0.00 H new ATOM 1100 N GLU A 72 0.066 11.319 2.616 1.00 0.00 N ATOM 1101 CA GLU A 72 0.627 11.434 1.274 1.00 0.00 C ATOM 1102 C GLU A 72 0.814 10.060 0.640 1.00 0.00 C ATOM 1103 O GLU A 72 0.628 9.890 -0.566 1.00 0.00 O ATOM 1104 CB GLU A 72 1.964 12.174 1.319 1.00 0.00 C ATOM 1105 CG GLU A 72 2.448 12.640 -0.043 1.00 0.00 C ATOM 1106 CD GLU A 72 3.203 13.954 0.024 1.00 0.00 C ATOM 1107 OE1 GLU A 72 4.355 13.953 0.507 1.00 0.00 O ATOM 1108 OE2 GLU A 72 2.641 14.984 -0.404 1.00 0.00 O ATOM 0 H GLU A 72 0.637 11.739 3.349 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.075 12.002 0.663 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.869 13.038 1.977 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.717 11.520 1.758 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.094 11.876 -0.476 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.593 12.750 -0.710 1.00 0.00 H new ATOM 1115 N VAL A 73 1.184 9.081 1.459 1.00 0.00 N ATOM 1116 CA VAL A 73 1.397 7.721 0.977 1.00 0.00 C ATOM 1117 C VAL A 73 0.137 6.878 1.137 1.00 0.00 C ATOM 1118 O VAL A 73 -0.117 5.966 0.349 1.00 0.00 O ATOM 1119 CB VAL A 73 2.557 7.036 1.723 1.00 0.00 C ATOM 1120 CG1 VAL A 73 2.894 5.700 1.077 1.00 0.00 C ATOM 1121 CG2 VAL A 73 3.778 7.942 1.761 1.00 0.00 C ATOM 0 H VAL A 73 1.343 9.204 2.459 1.00 0.00 H new ATOM 0 HA VAL A 73 1.649 7.796 -0.081 1.00 0.00 H new ATOM 0 HB VAL A 73 2.242 6.847 2.749 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.716 5.231 1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.020 5.049 1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.188 5.861 0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.587 7.440 2.292 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.097 8.166 0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.527 8.870 2.275 1.00 0.00 H new ATOM 1131 N SER A 74 -0.650 7.187 2.162 1.00 0.00 N ATOM 1132 CA SER A 74 -1.885 6.459 2.427 1.00 0.00 C ATOM 1133 C SER A 74 -2.840 6.555 1.240 1.00 0.00 C ATOM 1134 O SER A 74 -3.620 5.638 0.982 1.00 0.00 O ATOM 1135 CB SER A 74 -2.563 7.002 3.685 1.00 0.00 C ATOM 1136 OG SER A 74 -3.589 6.132 4.129 1.00 0.00 O ATOM 0 H SER A 74 -0.454 7.938 2.824 1.00 0.00 H new ATOM 0 HA SER A 74 -1.631 5.410 2.583 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.823 7.128 4.475 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.981 7.987 3.480 1.00 0.00 H new ATOM 0 HG SER A 74 -3.647 5.360 3.528 1.00 0.00 H new ATOM 1142 N GLU A 75 -2.772 7.671 0.521 1.00 0.00 N ATOM 1143 CA GLU A 75 -3.630 7.886 -0.638 1.00 0.00 C ATOM 1144 C GLU A 75 -3.133 7.087 -1.839 1.00 0.00 C ATOM 1145 O GLU A 75 -3.907 6.392 -2.497 1.00 0.00 O ATOM 1146 CB GLU A 75 -3.687 9.374 -0.988 1.00 0.00 C ATOM 1147 CG GLU A 75 -4.897 9.756 -1.825 1.00 0.00 C ATOM 1148 CD GLU A 75 -5.599 10.996 -1.306 1.00 0.00 C ATOM 1149 OE1 GLU A 75 -5.583 11.214 -0.076 1.00 0.00 O ATOM 1150 OE2 GLU A 75 -6.162 11.748 -2.128 1.00 0.00 O ATOM 0 H GLU A 75 -2.132 8.440 0.721 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.633 7.541 -0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.695 9.956 -0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.781 9.647 -1.529 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.583 9.926 -2.855 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.601 8.924 -1.840 1.00 0.00 H new ATOM 1157 N PHE A 76 -1.839 7.192 -2.120 1.00 0.00 N ATOM 1158 CA PHE A 76 -1.240 6.479 -3.242 1.00 0.00 C ATOM 1159 C PHE A 76 -1.386 4.971 -3.069 1.00 0.00 C ATOM 1160 O PHE A 76 -1.714 4.256 -4.017 1.00 0.00 O ATOM 1161 CB PHE A 76 0.239 6.846 -3.378 1.00 0.00 C ATOM 1162 CG PHE A 76 0.894 6.252 -4.593 1.00 0.00 C ATOM 1163 CD1 PHE A 76 0.576 6.712 -5.861 1.00 0.00 C ATOM 1164 CD2 PHE A 76 1.825 5.235 -4.466 1.00 0.00 C ATOM 1165 CE1 PHE A 76 1.176 6.166 -6.981 1.00 0.00 C ATOM 1166 CE2 PHE A 76 2.429 4.686 -5.582 1.00 0.00 C ATOM 1167 CZ PHE A 76 2.104 5.153 -6.841 1.00 0.00 C ATOM 0 H PHE A 76 -1.185 7.764 -1.586 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.766 6.776 -4.149 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.334 7.931 -3.418 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.772 6.512 -2.488 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.148 7.505 -5.976 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.082 4.866 -3.484 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.919 6.532 -7.964 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.154 3.893 -5.470 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.575 4.726 -7.714 1.00 0.00 H new ATOM 1177 N PHE A 77 -1.141 4.492 -1.853 1.00 0.00 N ATOM 1178 CA PHE A 77 -1.246 3.068 -1.556 1.00 0.00 C ATOM 1179 C PHE A 77 -2.654 2.555 -1.844 1.00 0.00 C ATOM 1180 O PHE A 77 -2.829 1.454 -2.367 1.00 0.00 O ATOM 1181 CB PHE A 77 -0.882 2.803 -0.094 1.00 0.00 C ATOM 1182 CG PHE A 77 -0.820 1.343 0.253 1.00 0.00 C ATOM 1183 CD1 PHE A 77 -0.086 0.462 -0.526 1.00 0.00 C ATOM 1184 CD2 PHE A 77 -1.495 0.850 1.359 1.00 0.00 C ATOM 1185 CE1 PHE A 77 -0.027 -0.882 -0.209 1.00 0.00 C ATOM 1186 CE2 PHE A 77 -1.439 -0.492 1.681 1.00 0.00 C ATOM 1187 CZ PHE A 77 -0.705 -1.359 0.896 1.00 0.00 C ATOM 0 H PHE A 77 -0.868 5.069 -1.058 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.546 2.535 -2.199 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.084 3.261 0.120 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.615 3.290 0.549 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.446 0.830 -1.391 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.071 1.523 1.976 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.548 -1.558 -0.824 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.969 -0.863 2.546 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.661 -2.409 1.146 1.00 0.00 H new ATOM 1197 N LEU A 78 -3.653 3.359 -1.498 1.00 0.00 N ATOM 1198 CA LEU A 78 -5.045 2.987 -1.720 1.00 0.00 C ATOM 1199 C LEU A 78 -5.448 3.232 -3.170 1.00 0.00 C ATOM 1200 O LEU A 78 -6.300 2.529 -3.715 1.00 0.00 O ATOM 1201 CB LEU A 78 -5.961 3.779 -0.784 1.00 0.00 C ATOM 1202 CG LEU A 78 -5.756 3.506 0.707 1.00 0.00 C ATOM 1203 CD1 LEU A 78 -6.540 4.505 1.544 1.00 0.00 C ATOM 1204 CD2 LEU A 78 -6.169 2.082 1.048 1.00 0.00 C ATOM 0 H LEU A 78 -3.525 4.272 -1.063 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.150 1.923 -1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.810 4.843 -0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.997 3.556 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.697 3.622 0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.383 4.296 2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.199 5.515 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.602 4.421 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.017 1.904 2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.222 1.940 0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.565 1.380 0.473 1.00 0.00 H new ATOM 1216 N TYR A 79 -4.830 4.231 -3.791 1.00 0.00 N ATOM 1217 CA TYR A 79 -5.124 4.567 -5.180 1.00 0.00 C ATOM 1218 C TYR A 79 -4.713 3.434 -6.114 1.00 0.00 C ATOM 1219 O TYR A 79 -5.331 3.222 -7.157 1.00 0.00 O ATOM 1220 CB TYR A 79 -4.403 5.857 -5.577 1.00 0.00 C ATOM 1221 CG TYR A 79 -5.108 6.634 -6.666 1.00 0.00 C ATOM 1222 CD1 TYR A 79 -4.957 6.287 -8.002 1.00 0.00 C ATOM 1223 CD2 TYR A 79 -5.923 7.715 -6.357 1.00 0.00 C ATOM 1224 CE1 TYR A 79 -5.599 6.995 -9.000 1.00 0.00 C ATOM 1225 CE2 TYR A 79 -6.570 8.428 -7.350 1.00 0.00 C ATOM 1226 CZ TYR A 79 -6.404 8.064 -8.670 1.00 0.00 C ATOM 1227 OH TYR A 79 -7.045 8.771 -9.661 1.00 0.00 O ATOM 0 H TYR A 79 -4.122 4.822 -3.355 1.00 0.00 H new ATOM 0 HA TYR A 79 -6.200 4.716 -5.271 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.301 6.492 -4.697 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.395 5.612 -5.912 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -4.327 5.450 -8.265 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -6.054 8.004 -5.325 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.471 6.712 -10.034 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -7.202 9.265 -7.093 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.573 9.492 -9.259 1.00 0.00 H new ATOM 1237 N LEU A 80 -3.666 2.710 -5.733 1.00 0.00 N ATOM 1238 CA LEU A 80 -3.172 1.598 -6.536 1.00 0.00 C ATOM 1239 C LEU A 80 -4.186 0.460 -6.574 1.00 0.00 C ATOM 1240 O LEU A 80 -4.325 -0.228 -7.586 1.00 0.00 O ATOM 1241 CB LEU A 80 -1.840 1.092 -5.980 1.00 0.00 C ATOM 1242 CG LEU A 80 -0.635 1.992 -6.266 1.00 0.00 C ATOM 1243 CD1 LEU A 80 0.335 1.974 -5.095 1.00 0.00 C ATOM 1244 CD2 LEU A 80 0.063 1.556 -7.548 1.00 0.00 C ATOM 0 H LEU A 80 -3.143 2.874 -4.873 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.020 1.958 -7.554 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.936 0.972 -4.901 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.643 0.104 -6.395 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.991 3.014 -6.399 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.185 2.619 -5.317 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.170 2.334 -4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.686 0.956 -4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.917 2.206 -7.736 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.407 0.527 -7.443 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.635 1.622 -8.383 1.00 0.00 H new ATOM 1256 N LEU A 81 -4.895 0.267 -5.466 1.00 0.00 N ATOM 1257 CA LEU A 81 -5.897 -0.789 -5.373 1.00 0.00 C ATOM 1258 C LEU A 81 -6.980 -0.606 -6.431 1.00 0.00 C ATOM 1259 O LEU A 81 -7.560 -1.578 -6.914 1.00 0.00 O ATOM 1260 CB LEU A 81 -6.527 -0.801 -3.980 1.00 0.00 C ATOM 1261 CG LEU A 81 -5.666 -1.434 -2.884 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -6.269 -1.171 -1.514 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -5.513 -2.929 -3.125 1.00 0.00 C ATOM 0 H LEU A 81 -4.794 0.828 -4.620 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.400 -1.743 -5.548 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.756 0.225 -3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.475 -1.337 -4.031 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.676 -0.978 -2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.644 -1.628 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.326 -0.096 -1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.270 -1.600 -1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.898 -3.364 -2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.496 -3.401 -3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.035 -3.095 -4.091 1.00 0.00 H new ATOM 1275 N GLN A 82 -7.249 0.646 -6.785 1.00 0.00 N ATOM 1276 CA GLN A 82 -8.264 0.956 -7.786 1.00 0.00 C ATOM 1277 C GLN A 82 -7.766 0.624 -9.189 1.00 0.00 C ATOM 1278 O GLN A 82 -8.521 0.127 -10.025 1.00 0.00 O ATOM 1279 CB GLN A 82 -8.655 2.433 -7.706 1.00 0.00 C ATOM 1280 CG GLN A 82 -10.137 2.681 -7.932 1.00 0.00 C ATOM 1281 CD GLN A 82 -10.494 2.786 -9.401 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -10.381 3.854 -10.004 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -10.928 1.676 -9.986 1.00 0.00 N ATOM 0 H GLN A 82 -6.779 1.462 -6.394 1.00 0.00 H new ATOM 0 HA GLN A 82 -9.141 0.343 -7.578 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.375 2.822 -6.727 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.084 2.992 -8.447 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.710 1.871 -7.480 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.429 3.600 -7.424 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -11.006 0.813 -9.448 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.183 1.686 -10.973 1.00 0.00 H new ATOM 1292 N GLN A 83 -6.492 0.903 -9.441 1.00 0.00 N ATOM 1293 CA GLN A 83 -5.895 0.635 -10.745 1.00 0.00 C ATOM 1294 C GLN A 83 -5.674 -0.862 -10.942 1.00 0.00 C ATOM 1295 O GLN A 83 -6.111 -1.438 -11.939 1.00 0.00 O ATOM 1296 CB GLN A 83 -4.569 1.383 -10.887 1.00 0.00 C ATOM 1297 CG GLN A 83 -4.686 2.880 -10.652 1.00 0.00 C ATOM 1298 CD GLN A 83 -4.600 3.682 -11.936 1.00 0.00 C ATOM 1299 OE1 GLN A 83 -4.756 3.141 -13.031 1.00 0.00 O ATOM 1300 NE2 GLN A 83 -4.351 4.980 -11.808 1.00 0.00 N ATOM 0 H GLN A 83 -5.853 1.314 -8.761 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.584 0.987 -11.513 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.850 0.968 -10.181 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.170 1.211 -11.886 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -5.634 3.093 -10.158 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -3.894 3.200 -9.975 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.229 5.387 -10.881 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -4.282 5.570 -12.637 1.00 0.00 H new ATOM 1309 N LEU A 84 -4.994 -1.486 -9.986 1.00 0.00 N ATOM 1310 CA LEU A 84 -4.716 -2.916 -10.054 1.00 0.00 C ATOM 1311 C LEU A 84 -5.997 -3.734 -9.898 1.00 0.00 C ATOM 1312 O LEU A 84 -6.043 -4.906 -10.271 1.00 0.00 O ATOM 1313 CB LEU A 84 -3.711 -3.314 -8.972 1.00 0.00 C ATOM 1314 CG LEU A 84 -2.362 -2.595 -9.044 1.00 0.00 C ATOM 1315 CD1 LEU A 84 -1.439 -3.084 -7.938 1.00 0.00 C ATOM 1316 CD2 LEU A 84 -1.721 -2.804 -10.408 1.00 0.00 C ATOM 0 H LEU A 84 -4.625 -1.024 -9.155 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.290 -3.128 -11.035 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.156 -3.122 -7.996 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.537 -4.388 -9.037 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.530 -1.527 -8.903 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.484 -2.562 -8.004 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.895 -2.884 -6.968 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.275 -4.156 -8.048 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.762 -2.286 -10.443 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.564 -3.869 -10.577 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.376 -2.406 -11.183 1.00 0.00 H new ATOM 1328 N ALA A 85 -7.035 -3.110 -9.343 1.00 0.00 N ATOM 1329 CA ALA A 85 -8.313 -3.783 -9.138 1.00 0.00 C ATOM 1330 C ALA A 85 -8.807 -4.450 -10.419 1.00 0.00 C ATOM 1331 O ALA A 85 -9.551 -5.429 -10.373 1.00 0.00 O ATOM 1332 CB ALA A 85 -9.349 -2.795 -8.624 1.00 0.00 C ATOM 0 H ALA A 85 -7.014 -2.140 -9.028 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.164 -4.565 -8.393 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.299 -3.308 -8.475 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.012 -2.374 -7.677 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.480 -1.994 -9.351 1.00 0.00 H new ATOM 1338 N ASP A 86 -8.389 -3.913 -11.562 1.00 0.00 N ATOM 1339 CA ASP A 86 -8.789 -4.459 -12.854 1.00 0.00 C ATOM 1340 C ASP A 86 -8.400 -5.929 -12.970 1.00 0.00 C ATOM 1341 O ASP A 86 -9.071 -6.708 -13.650 1.00 0.00 O ATOM 1342 CB ASP A 86 -8.149 -3.659 -13.990 1.00 0.00 C ATOM 1343 CG ASP A 86 -8.930 -2.403 -14.323 1.00 0.00 C ATOM 1344 OD1 ASP A 86 -9.018 -1.510 -13.453 1.00 0.00 O ATOM 1345 OD2 ASP A 86 -9.452 -2.310 -15.453 1.00 0.00 O ATOM 0 H ASP A 86 -7.774 -3.101 -11.619 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.874 -4.383 -12.931 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.131 -3.387 -13.711 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.079 -4.287 -14.878 1.00 0.00 H new ATOM 1350 N ALA A 87 -7.313 -6.304 -12.303 1.00 0.00 N ATOM 1351 CA ALA A 87 -6.836 -7.681 -12.331 1.00 0.00 C ATOM 1352 C ALA A 87 -7.011 -8.351 -10.972 1.00 0.00 C ATOM 1353 O ALA A 87 -6.197 -9.180 -10.568 1.00 0.00 O ATOM 1354 CB ALA A 87 -5.377 -7.725 -12.759 1.00 0.00 C ATOM 0 H ALA A 87 -6.746 -5.673 -11.737 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.434 -8.232 -13.058 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.034 -8.759 -12.776 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.277 -7.293 -13.755 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.774 -7.154 -12.054 1.00 0.00 H new ATOM 1360 N TYR A 88 -8.081 -7.986 -10.272 1.00 0.00 N ATOM 1361 CA TYR A 88 -8.365 -8.552 -8.959 1.00 0.00 C ATOM 1362 C TYR A 88 -9.814 -9.021 -8.873 1.00 0.00 C ATOM 1363 O TYR A 88 -10.672 -8.559 -9.625 1.00 0.00 O ATOM 1364 CB TYR A 88 -8.084 -7.521 -7.864 1.00 0.00 C ATOM 1365 CG TYR A 88 -6.655 -7.537 -7.371 1.00 0.00 C ATOM 1366 CD1 TYR A 88 -5.606 -7.176 -8.207 1.00 0.00 C ATOM 1367 CD2 TYR A 88 -6.354 -7.914 -6.067 1.00 0.00 C ATOM 1368 CE1 TYR A 88 -4.298 -7.190 -7.759 1.00 0.00 C ATOM 1369 CE2 TYR A 88 -5.049 -7.931 -5.612 1.00 0.00 C ATOM 1370 CZ TYR A 88 -4.026 -7.568 -6.462 1.00 0.00 C ATOM 1371 OH TYR A 88 -2.725 -7.583 -6.013 1.00 0.00 O ATOM 0 H TYR A 88 -8.765 -7.301 -10.593 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.713 -9.413 -8.812 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.317 -6.526 -8.244 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.752 -7.705 -7.023 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.816 -6.879 -9.224 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.153 -8.198 -5.399 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.494 -6.906 -8.422 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.832 -8.227 -4.596 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.705 -7.872 -5.077 1.00 0.00 H new ATOM 1381 N VAL A 89 -10.080 -9.945 -7.955 1.00 0.00 N ATOM 1382 CA VAL A 89 -11.425 -10.478 -7.774 1.00 0.00 C ATOM 1383 C VAL A 89 -11.978 -10.125 -6.396 1.00 0.00 C ATOM 1384 O VAL A 89 -13.078 -9.585 -6.278 1.00 0.00 O ATOM 1385 CB VAL A 89 -11.453 -12.008 -7.950 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -12.883 -12.526 -7.916 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -10.767 -12.409 -9.249 1.00 0.00 C ATOM 0 H VAL A 89 -9.382 -10.340 -7.325 1.00 0.00 H new ATOM 0 HA VAL A 89 -12.050 -10.021 -8.541 1.00 0.00 H new ATOM 0 HB VAL A 89 -10.908 -12.459 -7.121 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -12.881 -13.609 -8.042 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -13.339 -12.273 -6.959 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -13.455 -12.068 -8.723 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.796 -13.493 -9.356 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.283 -11.947 -10.091 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.730 -12.074 -9.231 1.00 0.00 H new ATOM 1397 N ASP A 90 -11.211 -10.436 -5.357 1.00 0.00 N ATOM 1398 CA ASP A 90 -11.627 -10.152 -3.988 1.00 0.00 C ATOM 1399 C ASP A 90 -11.817 -8.653 -3.777 1.00 0.00 C ATOM 1400 O ASP A 90 -12.792 -8.222 -3.160 1.00 0.00 O ATOM 1401 CB ASP A 90 -10.596 -10.692 -2.995 1.00 0.00 C ATOM 1402 CG ASP A 90 -10.904 -12.108 -2.552 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -12.082 -12.516 -2.645 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -9.970 -12.810 -2.112 1.00 0.00 O ATOM 0 H ASP A 90 -10.298 -10.885 -5.436 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.581 -10.649 -3.815 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.607 -10.665 -3.452 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.562 -10.041 -2.122 1.00 0.00 H new ATOM 1409 N LEU A 91 -10.882 -7.864 -4.293 1.00 0.00 N ATOM 1410 CA LEU A 91 -10.947 -6.413 -4.161 1.00 0.00 C ATOM 1411 C LEU A 91 -11.821 -5.805 -5.254 1.00 0.00 C ATOM 1412 O LEU A 91 -11.479 -5.852 -6.436 1.00 0.00 O ATOM 1413 CB LEU A 91 -9.543 -5.809 -4.222 1.00 0.00 C ATOM 1414 CG LEU A 91 -8.626 -6.185 -3.057 1.00 0.00 C ATOM 1415 CD1 LEU A 91 -7.169 -6.144 -3.489 1.00 0.00 C ATOM 1416 CD2 LEU A 91 -8.862 -5.258 -1.875 1.00 0.00 C ATOM 0 H LEU A 91 -10.069 -8.205 -4.807 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.392 -6.183 -3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.070 -6.122 -5.153 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.632 -4.723 -4.259 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.861 -7.203 -2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.532 -6.414 -2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.011 -6.850 -4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.918 -5.138 -3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.202 -5.539 -1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.655 -4.230 -2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.899 -5.340 -1.550 1.00 0.00 H new ATOM 1428 N ARG A 92 -12.950 -5.232 -4.849 1.00 0.00 N ATOM 1429 CA ARG A 92 -13.875 -4.612 -5.790 1.00 0.00 C ATOM 1430 C ARG A 92 -15.080 -4.019 -5.059 1.00 0.00 C ATOM 1431 O ARG A 92 -15.414 -2.850 -5.248 1.00 0.00 O ATOM 1432 CB ARG A 92 -14.343 -5.630 -6.834 1.00 0.00 C ATOM 1433 CG ARG A 92 -14.328 -5.094 -8.257 1.00 0.00 C ATOM 1434 CD ARG A 92 -15.669 -5.299 -8.946 1.00 0.00 C ATOM 1435 NE ARG A 92 -15.517 -5.543 -10.380 1.00 0.00 N ATOM 1436 CZ ARG A 92 -15.050 -6.678 -10.893 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -14.686 -7.676 -10.096 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -14.947 -6.818 -12.208 1.00 0.00 N ATOM 0 H ARG A 92 -13.246 -5.184 -3.874 1.00 0.00 H new ATOM 0 HA ARG A 92 -13.347 -3.805 -6.298 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.705 -6.512 -6.780 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -15.354 -5.952 -6.587 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -14.083 -4.032 -8.244 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.545 -5.594 -8.827 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -16.187 -6.142 -8.488 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -16.294 -4.419 -8.792 1.00 0.00 H new ATOM 0 HE ARG A 92 -15.785 -4.799 -11.025 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.764 -7.575 -9.084 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.329 -8.544 -10.496 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.226 -6.055 -12.825 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.589 -7.688 -12.602 1.00 0.00 H new ATOM 1452 N PRO A 93 -15.751 -4.820 -4.211 1.00 0.00 N ATOM 1453 CA PRO A 93 -16.921 -4.363 -3.454 1.00 0.00 C ATOM 1454 C PRO A 93 -16.561 -3.288 -2.434 1.00 0.00 C ATOM 1455 O PRO A 93 -17.348 -2.379 -2.171 1.00 0.00 O ATOM 1456 CB PRO A 93 -17.419 -5.629 -2.740 1.00 0.00 C ATOM 1457 CG PRO A 93 -16.737 -6.766 -3.422 1.00 0.00 C ATOM 1458 CD PRO A 93 -15.430 -6.225 -3.920 1.00 0.00 C ATOM 0 HA PRO A 93 -17.669 -3.909 -4.104 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -17.173 -5.603 -1.679 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.503 -5.720 -2.814 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.579 -7.596 -2.733 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -17.341 -7.146 -4.246 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -14.643 -6.314 -3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -15.085 -6.754 -4.808 1.00 0.00 H new ATOM 1466 N TRP A 94 -15.367 -3.401 -1.861 1.00 0.00 N ATOM 1467 CA TRP A 94 -14.900 -2.442 -0.867 1.00 0.00 C ATOM 1468 C TRP A 94 -14.859 -1.030 -1.445 1.00 0.00 C ATOM 1469 O TRP A 94 -15.386 -0.090 -0.849 1.00 0.00 O ATOM 1470 CB TRP A 94 -13.511 -2.836 -0.361 1.00 0.00 C ATOM 1471 CG TRP A 94 -13.024 -1.982 0.770 1.00 0.00 C ATOM 1472 CD1 TRP A 94 -13.706 -1.660 1.906 1.00 0.00 C ATOM 1473 CD2 TRP A 94 -11.747 -1.342 0.872 1.00 0.00 C ATOM 1474 NE1 TRP A 94 -12.933 -0.858 2.710 1.00 0.00 N ATOM 1475 CE2 TRP A 94 -11.725 -0.649 2.096 1.00 0.00 C ATOM 1476 CE3 TRP A 94 -10.619 -1.288 0.046 1.00 0.00 C ATOM 1477 CZ2 TRP A 94 -10.621 0.090 2.515 1.00 0.00 C ATOM 1478 CZ3 TRP A 94 -9.524 -0.555 0.464 1.00 0.00 C ATOM 1479 CH2 TRP A 94 -9.531 0.125 1.689 1.00 0.00 C ATOM 0 H TRP A 94 -14.705 -4.148 -2.069 1.00 0.00 H new ATOM 0 HA TRP A 94 -15.602 -2.453 -0.033 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -13.532 -3.877 -0.037 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -12.801 -2.773 -1.186 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -14.708 -1.988 2.140 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -13.212 -0.480 3.615 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.604 -1.809 -0.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -10.625 0.616 3.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -8.647 -0.506 -0.165 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -8.659 0.688 1.987 1.00 0.00 H new ATOM 1490 N LEU A 95 -14.230 -0.889 -2.607 1.00 0.00 N ATOM 1491 CA LEU A 95 -14.119 0.410 -3.265 1.00 0.00 C ATOM 1492 C LEU A 95 -15.496 1.021 -3.506 1.00 0.00 C ATOM 1493 O LEU A 95 -15.674 2.235 -3.399 1.00 0.00 O ATOM 1494 CB LEU A 95 -13.372 0.269 -4.593 1.00 0.00 C ATOM 1495 CG LEU A 95 -11.976 -0.348 -4.488 1.00 0.00 C ATOM 1496 CD1 LEU A 95 -11.588 -1.015 -5.799 1.00 0.00 C ATOM 1497 CD2 LEU A 95 -10.954 0.711 -4.103 1.00 0.00 C ATOM 0 H LEU A 95 -13.789 -1.657 -3.113 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.558 1.074 -2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.973 -0.341 -5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -13.284 1.255 -5.049 1.00 0.00 H new ATOM 0 HG LEU A 95 -11.993 -1.109 -3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -10.592 -1.448 -5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -12.306 -1.801 -6.033 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -11.588 -0.274 -6.598 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -9.966 0.255 -4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.939 1.494 -4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.223 1.143 -3.139 1.00 0.00 H new ATOM 1509 N LEU A 96 -16.465 0.173 -3.831 1.00 0.00 N ATOM 1510 CA LEU A 96 -17.826 0.631 -4.088 1.00 0.00 C ATOM 1511 C LEU A 96 -18.493 1.105 -2.801 1.00 0.00 C ATOM 1512 O LEU A 96 -19.346 1.993 -2.823 1.00 0.00 O ATOM 1513 CB LEU A 96 -18.652 -0.490 -4.722 1.00 0.00 C ATOM 1514 CG LEU A 96 -18.580 -0.562 -6.248 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -18.723 -2.000 -6.722 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -19.655 0.316 -6.873 1.00 0.00 C ATOM 0 H LEU A 96 -16.334 -0.834 -3.923 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.775 1.472 -4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -18.318 -1.443 -4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.694 -0.364 -4.428 1.00 0.00 H new ATOM 0 HG LEU A 96 -17.605 -0.192 -6.565 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -18.669 -2.031 -7.810 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -17.919 -2.603 -6.301 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -19.684 -2.397 -6.395 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -19.590 0.253 -7.959 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -20.638 -0.025 -6.548 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -19.508 1.350 -6.560 1.00 0.00 H new ATOM 1528 N GLU A 97 -18.101 0.509 -1.680 1.00 0.00 N ATOM 1529 CA GLU A 97 -18.662 0.871 -0.384 1.00 0.00 C ATOM 1530 C GLU A 97 -18.114 2.213 0.091 1.00 0.00 C ATOM 1531 O GLU A 97 -18.873 3.112 0.449 1.00 0.00 O ATOM 1532 CB GLU A 97 -18.355 -0.214 0.650 1.00 0.00 C ATOM 1533 CG GLU A 97 -18.819 -1.600 0.235 1.00 0.00 C ATOM 1534 CD GLU A 97 -19.596 -2.309 1.327 1.00 0.00 C ATOM 1535 OE1 GLU A 97 -19.266 -2.107 2.515 1.00 0.00 O ATOM 1536 OE2 GLU A 97 -20.532 -3.065 0.995 1.00 0.00 O ATOM 0 H GLU A 97 -17.396 -0.228 -1.643 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.743 0.960 -0.496 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -17.280 -0.239 0.830 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -18.830 0.051 1.594 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -19.443 -1.518 -0.655 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.952 -2.202 -0.038 1.00 0.00 H new ATOM 1543 N ILE A 98 -16.791 2.338 0.093 1.00 0.00 N ATOM 1544 CA ILE A 98 -16.142 3.570 0.525 1.00 0.00 C ATOM 1545 C ILE A 98 -16.304 4.672 -0.517 1.00 0.00 C ATOM 1546 O ILE A 98 -16.345 5.856 -0.182 1.00 0.00 O ATOM 1547 CB ILE A 98 -14.641 3.351 0.795 1.00 0.00 C ATOM 1548 CG1 ILE A 98 -13.942 2.833 -0.463 1.00 0.00 C ATOM 1549 CG2 ILE A 98 -14.448 2.381 1.952 1.00 0.00 C ATOM 1550 CD1 ILE A 98 -12.433 2.917 -0.394 1.00 0.00 C ATOM 0 H ILE A 98 -16.148 1.602 -0.199 1.00 0.00 H new ATOM 0 HA ILE A 98 -16.629 3.875 1.451 1.00 0.00 H new ATOM 0 HB ILE A 98 -14.193 4.307 1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -14.233 1.796 -0.629 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -14.291 3.404 -1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -13.383 2.236 2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -14.915 2.787 2.849 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -14.908 1.424 1.705 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -12.004 2.533 -1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -12.132 3.956 -0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -12.074 2.323 0.446 1.00 0.00 H new ATOM 1562 N GLY A 99 -16.394 4.274 -1.782 1.00 0.00 N ATOM 1563 CA GLY A 99 -16.549 5.240 -2.853 1.00 0.00 C ATOM 1564 C GLY A 99 -15.275 6.016 -3.123 1.00 0.00 C ATOM 1565 O GLY A 99 -15.291 7.245 -3.196 1.00 0.00 O ATOM 0 H GLY A 99 -16.362 3.300 -2.084 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.856 4.723 -3.762 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.348 5.936 -2.597 1.00 0.00 H new ATOM 1569 N PHE A 100 -14.166 5.296 -3.272 1.00 0.00 N ATOM 1570 CA PHE A 100 -12.877 5.924 -3.534 1.00 0.00 C ATOM 1571 C PHE A 100 -12.867 6.595 -4.905 1.00 0.00 C ATOM 1572 O PHE A 100 -12.754 5.927 -5.933 1.00 0.00 O ATOM 1573 CB PHE A 100 -11.754 4.887 -3.454 1.00 0.00 C ATOM 1574 CG PHE A 100 -10.401 5.485 -3.198 1.00 0.00 C ATOM 1575 CD1 PHE A 100 -9.830 6.357 -4.111 1.00 0.00 C ATOM 1576 CD2 PHE A 100 -9.699 5.175 -2.044 1.00 0.00 C ATOM 1577 CE1 PHE A 100 -8.583 6.908 -3.878 1.00 0.00 C ATOM 1578 CE2 PHE A 100 -8.453 5.722 -1.805 1.00 0.00 C ATOM 1579 CZ PHE A 100 -7.895 6.590 -2.723 1.00 0.00 C ATOM 0 H PHE A 100 -14.136 4.278 -3.216 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.712 6.687 -2.774 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.984 4.176 -2.661 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -11.723 4.325 -4.387 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -10.365 6.609 -5.015 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -10.131 4.497 -1.323 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.148 7.586 -4.598 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -7.916 5.471 -0.902 1.00 0.00 H new ATOM 0 HZ PHE A 100 -6.922 7.020 -2.538 1.00 0.00 H new