USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 826 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 87 HIS : no HE2:sc= -0.788 X(o=-0.15,f=-0.37) USER MOD Set 1.2: A 91 THR OG1 : rot -71:sc= 0.509 USER MOD Set 1.3: A 93 GLN : amide:sc= 0.129 X(o=-0.15,f=0.23) USER MOD Set 2.1: A 52 SER OG : rot -87:sc= 1.36 USER MOD Set 2.2: A 61 HIS : no HD1:sc= 0.934 K(o=2.3,f=-4.1!) USER MOD Set 3.1: A 19 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 20 HIS : no HE2:sc= -3.46! K(o=-3.3!,f=-2.2) USER MOD Set 4.2: A 109 SER OG : rot 73:sc= 0.193 USER MOD Single : A 10 GLN : amide:sc= -0.0625 X(o=-0.062,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= 1.19 (180deg=1.08) USER MOD Single : A 14 HIS : no HD1:sc= -0.887 X(o=-0.89,f=-1.1) USER MOD Single : A 16 GLN : amide:sc= 0.718 K(o=0.72,f=-2.7) USER MOD Single : A 34 HIS : no HD1:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0951 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.138 K(o=-0.14,f=-2.6) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0.745 K(o=0.74,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.428 X(o=-0.43,f=-0.44) USER MOD Single : A 66 SER OG : rot 46:sc= 0.0165 USER MOD Single : A 69 ASN : amide:sc= -0.0306 X(o=-0.031,f=-0.031) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -13:sc= 0.326 USER MOD Single : A 92 GLN : amide:sc= 1.61 K(o=1.6,f=-0.2) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HE2:sc= -0.054 X(o=-0.054,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 11.349 6.333 6.555 1.00 0.00 N ATOM 67 CA GLU A 8 10.990 5.735 5.267 1.00 0.00 C ATOM 68 C GLU A 8 9.821 6.462 4.604 1.00 0.00 C ATOM 69 O GLU A 8 9.779 6.563 3.388 1.00 0.00 O ATOM 70 CB GLU A 8 10.707 4.243 5.439 1.00 0.00 C ATOM 71 CG GLU A 8 9.457 3.922 6.280 1.00 0.00 C ATOM 72 CD GLU A 8 9.545 2.633 7.102 1.00 0.00 C ATOM 73 OE1 GLU A 8 10.644 2.043 7.233 1.00 0.00 O ATOM 74 OE2 GLU A 8 8.566 2.336 7.826 1.00 0.00 O ATOM 0 HA GLU A 8 11.840 5.846 4.594 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.592 3.792 4.453 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.573 3.773 5.905 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.269 4.755 6.957 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.597 3.853 5.614 1.00 0.00 H new ATOM 81 N VAL A 9 8.924 7.032 5.400 1.00 0.00 N ATOM 82 CA VAL A 9 7.742 7.775 4.973 1.00 0.00 C ATOM 83 C VAL A 9 8.061 8.808 3.884 1.00 0.00 C ATOM 84 O VAL A 9 7.342 8.880 2.892 1.00 0.00 O ATOM 85 CB VAL A 9 7.116 8.447 6.214 1.00 0.00 C ATOM 86 CG1 VAL A 9 5.991 9.423 5.853 1.00 0.00 C ATOM 87 CG2 VAL A 9 6.616 7.394 7.208 1.00 0.00 C ATOM 0 H VAL A 9 9.005 6.986 6.416 1.00 0.00 H new ATOM 0 HA VAL A 9 7.032 7.080 4.525 1.00 0.00 H new ATOM 0 HB VAL A 9 7.906 9.033 6.685 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.588 9.866 6.764 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.385 10.210 5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.200 8.888 5.328 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.179 7.890 8.075 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.862 6.770 6.728 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.451 6.771 7.529 1.00 0.00 H new ATOM 97 N GLN A 10 9.098 9.629 4.076 1.00 0.00 N ATOM 98 CA GLN A 10 9.474 10.659 3.109 1.00 0.00 C ATOM 99 C GLN A 10 10.175 10.105 1.872 1.00 0.00 C ATOM 100 O GLN A 10 10.258 10.802 0.856 1.00 0.00 O ATOM 101 CB GLN A 10 10.311 11.748 3.767 1.00 0.00 C ATOM 102 CG GLN A 10 11.387 11.263 4.744 1.00 0.00 C ATOM 103 CD GLN A 10 12.010 12.468 5.420 1.00 0.00 C ATOM 104 OE1 GLN A 10 13.164 12.831 5.182 1.00 0.00 O ATOM 105 NE2 GLN A 10 11.208 13.149 6.218 1.00 0.00 N ATOM 0 H GLN A 10 9.696 9.597 4.902 1.00 0.00 H new ATOM 0 HA GLN A 10 8.540 11.097 2.758 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.795 12.331 2.984 1.00 0.00 H new ATOM 0 HB3 GLN A 10 9.641 12.423 4.300 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.949 10.597 5.488 1.00 0.00 H new ATOM 0 HG3 GLN A 10 12.149 10.692 4.214 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.259 12.817 6.391 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.537 14.007 6.661 1.00 0.00 H new ATOM 114 N LYS A 11 10.757 8.907 1.960 1.00 0.00 N ATOM 115 CA LYS A 11 11.436 8.296 0.819 1.00 0.00 C ATOM 116 C LYS A 11 10.385 8.064 -0.263 1.00 0.00 C ATOM 117 O LYS A 11 9.225 7.799 0.062 1.00 0.00 O ATOM 118 CB LYS A 11 12.076 6.949 1.188 1.00 0.00 C ATOM 119 CG LYS A 11 13.124 7.007 2.302 1.00 0.00 C ATOM 120 CD LYS A 11 14.403 7.724 1.851 1.00 0.00 C ATOM 121 CE LYS A 11 15.629 7.150 2.564 1.00 0.00 C ATOM 122 NZ LYS A 11 16.070 5.875 1.963 1.00 0.00 N ATOM 0 H LYS A 11 10.771 8.342 2.809 1.00 0.00 H new ATOM 0 HA LYS A 11 12.234 8.957 0.481 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.286 6.261 1.490 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.541 6.530 0.296 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.706 7.522 3.167 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.370 5.994 2.622 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.522 7.620 0.773 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.321 8.790 2.061 1.00 0.00 H new ATOM 0 HE2 LYS A 11 16.444 7.872 2.522 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.396 6.993 3.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.098 5.773 2.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.587 5.084 2.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.836 5.869 0.950 1.00 0.00 H new ATOM 136 N PRO A 12 10.739 8.144 -1.552 1.00 0.00 N ATOM 137 CA PRO A 12 9.757 7.911 -2.588 1.00 0.00 C ATOM 138 C PRO A 12 9.373 6.431 -2.590 1.00 0.00 C ATOM 139 O PRO A 12 10.030 5.594 -1.969 1.00 0.00 O ATOM 140 CB PRO A 12 10.443 8.338 -3.877 1.00 0.00 C ATOM 141 CG PRO A 12 11.915 8.047 -3.603 1.00 0.00 C ATOM 142 CD PRO A 12 12.044 8.431 -2.126 1.00 0.00 C ATOM 0 HA PRO A 12 8.830 8.466 -2.448 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.074 7.775 -4.735 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.275 9.393 -4.092 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.163 7.000 -3.776 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.573 8.640 -4.238 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.828 7.855 -1.634 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.303 9.484 -2.012 1.00 0.00 H new ATOM 150 N LEU A 13 8.305 6.095 -3.311 1.00 0.00 N ATOM 151 CA LEU A 13 7.818 4.719 -3.423 1.00 0.00 C ATOM 152 C LEU A 13 8.923 3.792 -3.951 1.00 0.00 C ATOM 153 O LEU A 13 8.991 2.632 -3.562 1.00 0.00 O ATOM 154 CB LEU A 13 6.551 4.724 -4.296 1.00 0.00 C ATOM 155 CG LEU A 13 6.087 3.349 -4.808 1.00 0.00 C ATOM 156 CD1 LEU A 13 4.577 3.338 -5.039 1.00 0.00 C ATOM 157 CD2 LEU A 13 6.727 3.065 -6.171 1.00 0.00 C ATOM 0 H LEU A 13 7.750 6.771 -3.836 1.00 0.00 H new ATOM 0 HA LEU A 13 7.550 4.321 -2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.739 5.170 -3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.727 5.371 -5.156 1.00 0.00 H new ATOM 0 HG LEU A 13 6.371 2.609 -4.060 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.271 2.356 -5.401 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.064 3.555 -4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.317 4.095 -5.779 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.397 2.091 -6.532 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.427 3.836 -6.881 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.812 3.066 -6.071 1.00 0.00 H new ATOM 169 N HIS A 14 9.814 4.333 -4.785 1.00 0.00 N ATOM 170 CA HIS A 14 10.948 3.682 -5.440 1.00 0.00 C ATOM 171 C HIS A 14 12.044 3.203 -4.460 1.00 0.00 C ATOM 172 O HIS A 14 13.088 2.718 -4.898 1.00 0.00 O ATOM 173 CB HIS A 14 11.563 4.679 -6.446 1.00 0.00 C ATOM 174 CG HIS A 14 10.626 5.726 -7.024 1.00 0.00 C ATOM 175 ND1 HIS A 14 10.882 7.078 -7.086 1.00 0.00 N ATOM 176 CD2 HIS A 14 9.356 5.530 -7.505 1.00 0.00 C ATOM 177 CE1 HIS A 14 9.781 7.688 -7.547 1.00 0.00 C ATOM 178 NE2 HIS A 14 8.817 6.787 -7.797 1.00 0.00 N ATOM 0 H HIS A 14 9.755 5.319 -5.040 1.00 0.00 H new ATOM 0 HA HIS A 14 10.568 2.787 -5.933 1.00 0.00 H new ATOM 0 HB2 HIS A 14 12.388 5.194 -5.954 1.00 0.00 H new ATOM 0 HB3 HIS A 14 11.990 4.110 -7.272 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.862 4.578 -7.635 1.00 0.00 H new ATOM 0 HE1 HIS A 14 9.683 8.753 -7.696 1.00 0.00 H new ATOM 0 HE2 HIS A 14 7.874 6.982 -8.134 1.00 0.00 H new ATOM 186 N GLU A 15 11.870 3.403 -3.152 1.00 0.00 N ATOM 187 CA GLU A 15 12.797 3.008 -2.089 1.00 0.00 C ATOM 188 C GLU A 15 12.023 2.312 -0.950 1.00 0.00 C ATOM 189 O GLU A 15 12.504 2.251 0.189 1.00 0.00 O ATOM 190 CB GLU A 15 13.552 4.251 -1.565 1.00 0.00 C ATOM 191 CG GLU A 15 14.604 4.832 -2.518 1.00 0.00 C ATOM 192 CD GLU A 15 15.380 5.977 -1.846 1.00 0.00 C ATOM 193 OE1 GLU A 15 16.073 5.734 -0.819 1.00 0.00 O ATOM 194 OE2 GLU A 15 15.347 7.107 -2.365 1.00 0.00 O ATOM 0 H GLU A 15 11.038 3.867 -2.787 1.00 0.00 H new ATOM 0 HA GLU A 15 13.528 2.304 -2.486 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.823 5.029 -1.338 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.041 3.989 -0.627 1.00 0.00 H new ATOM 0 HG2 GLU A 15 15.297 4.048 -2.823 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.118 5.198 -3.423 1.00 0.00 H new ATOM 201 N GLN A 16 10.802 1.830 -1.211 1.00 0.00 N ATOM 202 CA GLN A 16 9.984 1.180 -0.198 1.00 0.00 C ATOM 203 C GLN A 16 10.067 -0.334 -0.176 1.00 0.00 C ATOM 204 O GLN A 16 9.973 -1.013 -1.201 1.00 0.00 O ATOM 205 CB GLN A 16 8.524 1.623 -0.298 1.00 0.00 C ATOM 206 CG GLN A 16 8.378 3.137 -0.135 1.00 0.00 C ATOM 207 CD GLN A 16 8.880 3.701 1.191 1.00 0.00 C ATOM 208 OE1 GLN A 16 9.235 2.994 2.133 1.00 0.00 O ATOM 209 NE2 GLN A 16 8.948 5.012 1.245 1.00 0.00 N ATOM 0 H GLN A 16 10.361 1.883 -2.129 1.00 0.00 H new ATOM 0 HA GLN A 16 10.412 1.512 0.748 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.117 1.320 -1.263 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.937 1.117 0.468 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.916 3.627 -0.946 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.326 3.398 -0.247 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.646 5.572 0.447 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.303 5.470 2.084 1.00 0.00 H new ATOM 218 N LEU A 17 10.134 -0.851 1.053 1.00 0.00 N ATOM 219 CA LEU A 17 10.202 -2.270 1.372 1.00 0.00 C ATOM 220 C LEU A 17 8.990 -3.032 0.847 1.00 0.00 C ATOM 221 O LEU A 17 9.120 -4.198 0.492 1.00 0.00 O ATOM 222 CB LEU A 17 10.424 -2.497 2.890 1.00 0.00 C ATOM 223 CG LEU A 17 9.408 -2.060 3.979 1.00 0.00 C ATOM 224 CD1 LEU A 17 9.013 -0.579 3.913 1.00 0.00 C ATOM 225 CD2 LEU A 17 8.147 -2.922 4.082 1.00 0.00 C ATOM 0 H LEU A 17 10.142 -0.262 1.886 1.00 0.00 H new ATOM 0 HA LEU A 17 11.071 -2.679 0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.573 -3.569 3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.368 -2.011 3.138 1.00 0.00 H new ATOM 0 HG LEU A 17 9.982 -2.223 4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.301 -0.357 4.708 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.901 0.040 4.038 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.556 -0.367 2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.504 -2.533 4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.612 -2.898 3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.427 -3.949 4.315 1.00 0.00 H new ATOM 237 N TRP A 18 7.839 -2.370 0.743 1.00 0.00 N ATOM 238 CA TRP A 18 6.584 -2.934 0.278 1.00 0.00 C ATOM 239 C TRP A 18 6.311 -2.672 -1.199 1.00 0.00 C ATOM 240 O TRP A 18 5.212 -2.983 -1.667 1.00 0.00 O ATOM 241 CB TRP A 18 5.468 -2.381 1.166 1.00 0.00 C ATOM 242 CG TRP A 18 5.473 -0.892 1.414 1.00 0.00 C ATOM 243 CD1 TRP A 18 5.714 -0.316 2.614 1.00 0.00 C ATOM 244 CD2 TRP A 18 5.219 0.221 0.491 1.00 0.00 C ATOM 245 NE1 TRP A 18 5.665 1.054 2.492 1.00 0.00 N ATOM 246 CE2 TRP A 18 5.282 1.434 1.232 1.00 0.00 C ATOM 247 CE3 TRP A 18 4.903 0.344 -0.880 1.00 0.00 C ATOM 248 CZ2 TRP A 18 4.997 2.677 0.663 1.00 0.00 C ATOM 249 CZ3 TRP A 18 4.665 1.599 -1.476 1.00 0.00 C ATOM 250 CH2 TRP A 18 4.700 2.771 -0.701 1.00 0.00 C ATOM 0 H TRP A 18 7.758 -1.384 0.992 1.00 0.00 H new ATOM 0 HA TRP A 18 6.636 -4.020 0.358 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.512 -2.648 0.716 1.00 0.00 H new ATOM 0 HB3 TRP A 18 5.519 -2.887 2.130 1.00 0.00 H new ATOM 0 HD1 TRP A 18 5.915 -0.851 3.530 1.00 0.00 H new ATOM 0 HE1 TRP A 18 5.886 1.705 3.245 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.842 -0.547 -1.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 5.006 3.566 1.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.455 1.660 -2.534 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.500 3.732 -1.152 1.00 0.00 H new ATOM 261 N TYR A 19 7.228 -2.027 -1.928 1.00 0.00 N ATOM 262 CA TYR A 19 7.026 -1.774 -3.344 1.00 0.00 C ATOM 263 C TYR A 19 7.707 -2.916 -4.081 1.00 0.00 C ATOM 264 O TYR A 19 8.871 -2.830 -4.466 1.00 0.00 O ATOM 265 CB TYR A 19 7.519 -0.394 -3.785 1.00 0.00 C ATOM 266 CG TYR A 19 7.358 -0.198 -5.286 1.00 0.00 C ATOM 267 CD1 TYR A 19 6.137 -0.511 -5.921 1.00 0.00 C ATOM 268 CD2 TYR A 19 8.447 0.239 -6.059 1.00 0.00 C ATOM 269 CE1 TYR A 19 6.011 -0.402 -7.315 1.00 0.00 C ATOM 270 CE2 TYR A 19 8.322 0.388 -7.452 1.00 0.00 C ATOM 271 CZ TYR A 19 7.103 0.056 -8.091 1.00 0.00 C ATOM 272 OH TYR A 19 6.961 0.167 -9.441 1.00 0.00 O ATOM 0 H TYR A 19 8.110 -1.675 -1.556 1.00 0.00 H new ATOM 0 HA TYR A 19 5.962 -1.746 -3.580 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.963 0.379 -3.254 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.568 -0.277 -3.512 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.294 -0.837 -5.330 1.00 0.00 H new ATOM 0 HD2 TYR A 19 9.388 0.462 -5.579 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.081 -0.668 -7.795 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.155 0.755 -8.033 1.00 0.00 H new ATOM 0 HH TYR A 19 7.798 0.495 -9.832 1.00 0.00 H new ATOM 282 N HIS A 20 6.972 -4.012 -4.251 1.00 0.00 N ATOM 283 CA HIS A 20 7.480 -5.196 -4.927 1.00 0.00 C ATOM 284 C HIS A 20 7.676 -4.974 -6.433 1.00 0.00 C ATOM 285 O HIS A 20 8.397 -5.743 -7.070 1.00 0.00 O ATOM 286 CB HIS A 20 6.526 -6.367 -4.679 1.00 0.00 C ATOM 287 CG HIS A 20 6.429 -6.802 -3.237 1.00 0.00 C ATOM 288 ND1 HIS A 20 6.921 -7.975 -2.711 1.00 0.00 N ATOM 289 CD2 HIS A 20 5.820 -6.126 -2.213 1.00 0.00 C ATOM 290 CE1 HIS A 20 6.646 -7.969 -1.396 1.00 0.00 C ATOM 291 NE2 HIS A 20 5.982 -6.859 -1.047 1.00 0.00 N ATOM 0 H HIS A 20 6.010 -4.101 -3.924 1.00 0.00 H new ATOM 0 HA HIS A 20 8.463 -5.421 -4.514 1.00 0.00 H new ATOM 0 HB2 HIS A 20 5.532 -6.089 -5.029 1.00 0.00 H new ATOM 0 HB3 HIS A 20 6.850 -7.216 -5.280 1.00 0.00 H new ATOM 0 HD1 HIS A 20 7.405 -8.712 -3.224 1.00 0.00 H new ATOM 0 HD2 HIS A 20 5.302 -5.182 -2.299 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.924 -8.756 -0.710 1.00 0.00 H new ATOM 299 N GLY A 21 7.076 -3.937 -7.024 1.00 0.00 N ATOM 300 CA GLY A 21 7.189 -3.657 -8.450 1.00 0.00 C ATOM 301 C GLY A 21 6.001 -4.260 -9.198 1.00 0.00 C ATOM 302 O GLY A 21 4.919 -4.448 -8.630 1.00 0.00 O ATOM 0 H GLY A 21 6.496 -3.267 -6.520 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.225 -2.580 -8.616 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.120 -4.070 -8.837 1.00 0.00 H new ATOM 306 N ALA A 22 6.179 -4.554 -10.483 1.00 0.00 N ATOM 307 CA ALA A 22 5.172 -5.125 -11.373 1.00 0.00 C ATOM 308 C ALA A 22 4.944 -6.633 -11.160 1.00 0.00 C ATOM 309 O ALA A 22 4.497 -7.302 -12.093 1.00 0.00 O ATOM 310 CB ALA A 22 5.575 -4.822 -12.824 1.00 0.00 C ATOM 0 H ALA A 22 7.070 -4.393 -10.954 1.00 0.00 H new ATOM 0 HA ALA A 22 4.215 -4.659 -11.139 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.833 -5.242 -13.503 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.630 -3.743 -12.969 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.549 -5.266 -13.031 1.00 0.00 H new ATOM 316 N ILE A 23 5.220 -7.170 -9.966 1.00 0.00 N ATOM 317 CA ILE A 23 5.061 -8.593 -9.658 1.00 0.00 C ATOM 318 C ILE A 23 3.683 -9.142 -10.064 1.00 0.00 C ATOM 319 O ILE A 23 2.678 -8.421 -9.994 1.00 0.00 O ATOM 320 CB ILE A 23 5.369 -8.907 -8.175 1.00 0.00 C ATOM 321 CG1 ILE A 23 4.437 -8.194 -7.169 1.00 0.00 C ATOM 322 CG2 ILE A 23 6.835 -8.575 -7.878 1.00 0.00 C ATOM 323 CD1 ILE A 23 4.439 -8.877 -5.794 1.00 0.00 C ATOM 0 H ILE A 23 5.564 -6.621 -9.178 1.00 0.00 H new ATOM 0 HA ILE A 23 5.801 -9.111 -10.268 1.00 0.00 H new ATOM 0 HB ILE A 23 5.182 -9.972 -8.037 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.751 -7.156 -7.058 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.421 -8.179 -7.564 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.054 -8.796 -6.833 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.481 -9.175 -8.519 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.015 -7.517 -8.071 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.770 -8.341 -5.121 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.099 -9.907 -5.899 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.449 -8.868 -5.385 1.00 0.00 H new ATOM 335 N PRO A 24 3.611 -10.422 -10.461 1.00 0.00 N ATOM 336 CA PRO A 24 2.372 -11.058 -10.863 1.00 0.00 C ATOM 337 C PRO A 24 1.498 -11.377 -9.643 1.00 0.00 C ATOM 338 O PRO A 24 1.954 -11.440 -8.500 1.00 0.00 O ATOM 339 CB PRO A 24 2.817 -12.305 -11.618 1.00 0.00 C ATOM 340 CG PRO A 24 4.116 -12.704 -10.930 1.00 0.00 C ATOM 341 CD PRO A 24 4.725 -11.354 -10.586 1.00 0.00 C ATOM 0 HA PRO A 24 1.746 -10.421 -11.489 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.071 -13.098 -11.555 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.973 -12.097 -12.677 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.937 -13.308 -10.041 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.762 -13.287 -11.587 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.292 -11.409 -9.657 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.417 -11.030 -11.363 1.00 0.00 H new ATOM 349 N ARG A 25 0.215 -11.653 -9.876 1.00 0.00 N ATOM 350 CA ARG A 25 -0.740 -11.945 -8.804 1.00 0.00 C ATOM 351 C ARG A 25 -0.434 -13.147 -7.920 1.00 0.00 C ATOM 352 O ARG A 25 -0.838 -13.119 -6.754 1.00 0.00 O ATOM 353 CB ARG A 25 -2.154 -12.053 -9.394 1.00 0.00 C ATOM 354 CG ARG A 25 -2.296 -13.314 -10.277 1.00 0.00 C ATOM 355 CD ARG A 25 -3.596 -13.382 -11.064 1.00 0.00 C ATOM 356 NE ARG A 25 -3.703 -12.266 -12.010 1.00 0.00 N ATOM 357 CZ ARG A 25 -4.692 -12.091 -12.881 1.00 0.00 C ATOM 358 NH1 ARG A 25 -5.573 -13.058 -13.104 1.00 0.00 N ATOM 359 NH2 ARG A 25 -4.822 -10.932 -13.503 1.00 0.00 N ATOM 0 H ARG A 25 -0.192 -11.681 -10.811 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.653 -11.101 -8.120 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.886 -12.086 -8.587 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.373 -11.164 -9.986 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.460 -13.351 -10.975 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.222 -14.198 -9.643 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.648 -14.327 -11.605 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.442 -13.362 -10.377 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.959 -11.568 -11.999 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.495 -13.944 -12.605 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.329 -12.915 -13.774 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.165 -10.175 -13.314 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.580 -10.794 -14.172 1.00 0.00 H new ATOM 373 N ALA A 26 0.216 -14.189 -8.438 1.00 0.00 N ATOM 374 CA ALA A 26 0.537 -15.351 -7.625 1.00 0.00 C ATOM 375 C ALA A 26 1.581 -14.966 -6.578 1.00 0.00 C ATOM 376 O ALA A 26 1.534 -15.454 -5.452 1.00 0.00 O ATOM 377 CB ALA A 26 1.066 -16.484 -8.507 1.00 0.00 C ATOM 0 H ALA A 26 0.526 -14.248 -9.408 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.366 -15.698 -7.122 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.303 -17.348 -7.886 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.307 -16.760 -9.239 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.966 -16.152 -9.025 1.00 0.00 H new ATOM 383 N GLU A 27 2.510 -14.085 -6.953 1.00 0.00 N ATOM 384 CA GLU A 27 3.572 -13.644 -6.059 1.00 0.00 C ATOM 385 C GLU A 27 2.962 -12.808 -4.951 1.00 0.00 C ATOM 386 O GLU A 27 3.354 -12.942 -3.799 1.00 0.00 O ATOM 387 CB GLU A 27 4.627 -12.841 -6.838 1.00 0.00 C ATOM 388 CG GLU A 27 5.535 -13.758 -7.668 1.00 0.00 C ATOM 389 CD GLU A 27 6.610 -14.488 -6.858 1.00 0.00 C ATOM 390 OE1 GLU A 27 6.673 -14.329 -5.620 1.00 0.00 O ATOM 391 OE2 GLU A 27 7.408 -15.223 -7.493 1.00 0.00 O ATOM 0 H GLU A 27 2.544 -13.662 -7.880 1.00 0.00 H new ATOM 0 HA GLU A 27 4.072 -14.509 -5.622 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.130 -12.128 -7.496 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.233 -12.262 -6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.916 -14.497 -8.177 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.022 -13.163 -8.441 1.00 0.00 H new ATOM 398 N VAL A 28 1.974 -11.976 -5.293 1.00 0.00 N ATOM 399 CA VAL A 28 1.290 -11.119 -4.344 1.00 0.00 C ATOM 400 C VAL A 28 0.556 -11.939 -3.296 1.00 0.00 C ATOM 401 O VAL A 28 0.701 -11.656 -2.110 1.00 0.00 O ATOM 402 CB VAL A 28 0.289 -10.206 -5.069 1.00 0.00 C ATOM 403 CG1 VAL A 28 -0.555 -9.388 -4.074 1.00 0.00 C ATOM 404 CG2 VAL A 28 0.998 -9.261 -6.035 1.00 0.00 C ATOM 0 H VAL A 28 1.629 -11.884 -6.249 1.00 0.00 H new ATOM 0 HA VAL A 28 2.044 -10.509 -3.847 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.376 -10.857 -5.637 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.251 -8.754 -4.623 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.113 -10.065 -3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.101 -8.765 -3.466 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.262 -8.629 -6.532 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.700 -8.636 -5.483 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.539 -9.842 -6.781 1.00 0.00 H new ATOM 414 N ALA A 29 -0.262 -12.901 -3.742 1.00 0.00 N ATOM 415 CA ALA A 29 -1.071 -13.753 -2.887 1.00 0.00 C ATOM 416 C ALA A 29 -0.297 -14.302 -1.694 1.00 0.00 C ATOM 417 O ALA A 29 -0.818 -14.262 -0.583 1.00 0.00 O ATOM 418 CB ALA A 29 -1.675 -14.895 -3.718 1.00 0.00 C ATOM 0 H ALA A 29 -0.376 -13.107 -4.734 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.870 -13.137 -2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.281 -15.532 -3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.300 -14.479 -4.508 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.873 -15.485 -4.162 1.00 0.00 H new ATOM 424 N GLU A 30 0.923 -14.779 -1.926 1.00 0.00 N ATOM 425 CA GLU A 30 1.785 -15.375 -0.912 1.00 0.00 C ATOM 426 C GLU A 30 2.392 -14.397 0.088 1.00 0.00 C ATOM 427 O GLU A 30 2.925 -14.854 1.102 1.00 0.00 O ATOM 428 CB GLU A 30 2.910 -16.129 -1.632 1.00 0.00 C ATOM 429 CG GLU A 30 2.325 -17.337 -2.357 1.00 0.00 C ATOM 430 CD GLU A 30 3.359 -18.100 -3.164 1.00 0.00 C ATOM 431 OE1 GLU A 30 3.574 -17.733 -4.343 1.00 0.00 O ATOM 432 OE2 GLU A 30 3.913 -19.099 -2.650 1.00 0.00 O ATOM 0 H GLU A 30 1.351 -14.760 -2.852 1.00 0.00 H new ATOM 0 HA GLU A 30 1.151 -16.030 -0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.408 -15.470 -2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.664 -16.452 -0.914 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.873 -18.009 -1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.527 -17.004 -3.021 1.00 0.00 H new ATOM 439 N LEU A 31 2.363 -13.084 -0.158 1.00 0.00 N ATOM 440 CA LEU A 31 2.938 -12.117 0.765 1.00 0.00 C ATOM 441 C LEU A 31 2.001 -11.893 1.939 1.00 0.00 C ATOM 442 O LEU A 31 2.439 -11.841 3.091 1.00 0.00 O ATOM 443 CB LEU A 31 3.167 -10.781 0.058 1.00 0.00 C ATOM 444 CG LEU A 31 4.119 -10.873 -1.139 1.00 0.00 C ATOM 445 CD1 LEU A 31 3.973 -9.584 -1.939 1.00 0.00 C ATOM 446 CD2 LEU A 31 5.558 -11.120 -0.678 1.00 0.00 C ATOM 0 H LEU A 31 1.945 -12.671 -0.992 1.00 0.00 H new ATOM 0 HA LEU A 31 3.890 -12.511 1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.208 -10.390 -0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.567 -10.064 0.775 1.00 0.00 H new ATOM 0 HG LEU A 31 3.865 -11.722 -1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.638 -9.614 -2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.942 -9.481 -2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.234 -8.733 -1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.213 -11.181 -1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.881 -10.299 -0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.606 -12.056 -0.121 1.00 0.00 H new ATOM 458 N LEU A 32 0.715 -11.703 1.643 1.00 0.00 N ATOM 459 CA LEU A 32 -0.287 -11.471 2.675 1.00 0.00 C ATOM 460 C LEU A 32 -0.634 -12.806 3.336 1.00 0.00 C ATOM 461 O LEU A 32 -1.010 -13.754 2.643 1.00 0.00 O ATOM 462 CB LEU A 32 -1.547 -10.777 2.125 1.00 0.00 C ATOM 463 CG LEU A 32 -1.330 -9.875 0.892 1.00 0.00 C ATOM 464 CD1 LEU A 32 -1.621 -10.650 -0.395 1.00 0.00 C ATOM 465 CD2 LEU A 32 -2.257 -8.671 0.915 1.00 0.00 C ATOM 0 H LEU A 32 0.345 -11.706 0.692 1.00 0.00 H new ATOM 0 HA LEU A 32 0.131 -10.790 3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.278 -11.543 1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.984 -10.174 2.921 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.292 -9.545 0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.463 -9.999 -1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.953 -11.508 -0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.655 -10.995 -0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.078 -8.057 0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.293 -9.010 0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.066 -8.082 1.812 1.00 0.00 H new ATOM 477 N VAL A 33 -0.548 -12.864 4.664 1.00 0.00 N ATOM 478 CA VAL A 33 -0.844 -14.058 5.456 1.00 0.00 C ATOM 479 C VAL A 33 -1.849 -13.728 6.561 1.00 0.00 C ATOM 480 O VAL A 33 -2.647 -14.597 6.929 1.00 0.00 O ATOM 481 CB VAL A 33 0.469 -14.638 6.026 1.00 0.00 C ATOM 482 CG1 VAL A 33 0.254 -15.885 6.892 1.00 0.00 C ATOM 483 CG2 VAL A 33 1.429 -15.043 4.903 1.00 0.00 C ATOM 0 H VAL A 33 -0.265 -12.066 5.232 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.301 -14.816 4.820 1.00 0.00 H new ATOM 0 HB VAL A 33 0.884 -13.838 6.639 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.216 -16.242 7.261 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.389 -15.635 7.736 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.218 -16.665 6.295 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.344 -15.448 5.335 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.958 -15.800 4.277 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.669 -14.169 4.297 1.00 0.00 H new ATOM 493 N HIS A 34 -1.864 -12.489 7.059 1.00 0.00 N ATOM 494 CA HIS A 34 -2.759 -12.040 8.113 1.00 0.00 C ATOM 495 C HIS A 34 -3.530 -10.801 7.669 1.00 0.00 C ATOM 496 O HIS A 34 -3.114 -10.077 6.761 1.00 0.00 O ATOM 497 CB HIS A 34 -1.922 -11.662 9.340 1.00 0.00 C ATOM 498 CG HIS A 34 -0.944 -12.698 9.832 1.00 0.00 C ATOM 499 ND1 HIS A 34 0.291 -12.432 10.381 1.00 0.00 N ATOM 500 CD2 HIS A 34 -1.130 -14.051 9.862 1.00 0.00 C ATOM 501 CE1 HIS A 34 0.832 -13.605 10.758 1.00 0.00 C ATOM 502 NE2 HIS A 34 -0.015 -14.612 10.489 1.00 0.00 N ATOM 0 H HIS A 34 -1.236 -11.757 6.728 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.461 -12.842 8.343 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.368 -10.753 9.108 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.603 -11.421 10.156 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.982 -14.588 9.473 1.00 0.00 H new ATOM 0 HE1 HIS A 34 1.806 -13.720 11.211 1.00 0.00 H new ATOM 0 HE2 HIS A 34 0.129 -15.599 10.702 1.00 0.00 H new ATOM 510 N SER A 35 -4.660 -10.534 8.317 1.00 0.00 N ATOM 511 CA SER A 35 -5.474 -9.363 8.023 1.00 0.00 C ATOM 512 C SER A 35 -4.643 -8.108 8.345 1.00 0.00 C ATOM 513 O SER A 35 -3.894 -8.101 9.325 1.00 0.00 O ATOM 514 CB SER A 35 -6.788 -9.424 8.819 1.00 0.00 C ATOM 515 OG SER A 35 -6.620 -10.115 10.044 1.00 0.00 O ATOM 0 H SER A 35 -5.035 -11.124 9.060 1.00 0.00 H new ATOM 0 HA SER A 35 -5.751 -9.331 6.969 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.143 -8.412 9.016 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.554 -9.920 8.222 1.00 0.00 H new ATOM 0 HG SER A 35 -7.472 -10.135 10.528 1.00 0.00 H new ATOM 521 N GLY A 36 -4.761 -7.047 7.541 1.00 0.00 N ATOM 522 CA GLY A 36 -4.016 -5.816 7.754 1.00 0.00 C ATOM 523 C GLY A 36 -2.682 -5.801 7.011 1.00 0.00 C ATOM 524 O GLY A 36 -2.074 -4.726 6.911 1.00 0.00 O ATOM 0 H GLY A 36 -5.376 -7.023 6.728 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.619 -4.969 7.427 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.835 -5.685 8.821 1.00 0.00 H new ATOM 528 N ASP A 37 -2.231 -6.957 6.504 1.00 0.00 N ATOM 529 CA ASP A 37 -0.994 -7.091 5.738 1.00 0.00 C ATOM 530 C ASP A 37 -1.262 -6.375 4.420 1.00 0.00 C ATOM 531 O ASP A 37 -2.321 -6.613 3.831 1.00 0.00 O ATOM 532 CB ASP A 37 -0.659 -8.563 5.415 1.00 0.00 C ATOM 533 CG ASP A 37 -0.054 -9.388 6.555 1.00 0.00 C ATOM 534 OD1 ASP A 37 0.191 -8.846 7.663 1.00 0.00 O ATOM 535 OD2 ASP A 37 0.224 -10.586 6.298 1.00 0.00 O ATOM 0 H ASP A 37 -2.729 -7.840 6.620 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.159 -6.685 6.308 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.572 -9.057 5.083 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.036 -8.579 4.575 1.00 0.00 H new ATOM 540 N PHE A 38 -0.360 -5.516 3.936 1.00 0.00 N ATOM 541 CA PHE A 38 -0.560 -4.809 2.675 1.00 0.00 C ATOM 542 C PHE A 38 0.740 -4.540 1.911 1.00 0.00 C ATOM 543 O PHE A 38 1.819 -4.488 2.494 1.00 0.00 O ATOM 544 CB PHE A 38 -1.305 -3.489 2.938 1.00 0.00 C ATOM 545 CG PHE A 38 -0.446 -2.347 3.436 1.00 0.00 C ATOM 546 CD1 PHE A 38 -0.089 -2.263 4.794 1.00 0.00 C ATOM 547 CD2 PHE A 38 0.007 -1.370 2.528 1.00 0.00 C ATOM 548 CE1 PHE A 38 0.756 -1.225 5.228 1.00 0.00 C ATOM 549 CE2 PHE A 38 0.832 -0.326 2.973 1.00 0.00 C ATOM 550 CZ PHE A 38 1.236 -0.272 4.315 1.00 0.00 C ATOM 0 H PHE A 38 0.519 -5.295 4.404 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.156 -5.462 2.038 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.794 -3.178 2.015 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.092 -3.675 3.669 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.461 -2.991 5.499 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.281 -1.425 1.489 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.037 -1.161 6.269 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.156 0.437 2.281 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.915 0.501 4.645 1.00 0.00 H new ATOM 560 N LEU A 39 0.630 -4.345 0.597 1.00 0.00 N ATOM 561 CA LEU A 39 1.723 -4.048 -0.328 1.00 0.00 C ATOM 562 C LEU A 39 1.188 -3.220 -1.494 1.00 0.00 C ATOM 563 O LEU A 39 -0.031 -3.102 -1.674 1.00 0.00 O ATOM 564 CB LEU A 39 2.485 -5.302 -0.824 1.00 0.00 C ATOM 565 CG LEU A 39 1.793 -6.426 -1.627 1.00 0.00 C ATOM 566 CD1 LEU A 39 0.647 -7.096 -0.871 1.00 0.00 C ATOM 567 CD2 LEU A 39 1.391 -6.000 -3.047 1.00 0.00 C ATOM 0 H LEU A 39 -0.273 -4.393 0.124 1.00 0.00 H new ATOM 0 HA LEU A 39 2.465 -3.472 0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.312 -4.943 -1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.922 -5.771 0.057 1.00 0.00 H new ATOM 0 HG LEU A 39 2.557 -7.193 -1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.207 -7.875 -1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.028 -7.539 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.113 -6.353 -0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.911 -6.836 -3.555 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.697 -5.161 -2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.280 -5.700 -3.602 1.00 0.00 H new ATOM 579 N VAL A 40 2.095 -2.670 -2.300 1.00 0.00 N ATOM 580 CA VAL A 40 1.781 -1.879 -3.481 1.00 0.00 C ATOM 581 C VAL A 40 2.500 -2.567 -4.627 1.00 0.00 C ATOM 582 O VAL A 40 3.679 -2.919 -4.525 1.00 0.00 O ATOM 583 CB VAL A 40 2.208 -0.405 -3.342 1.00 0.00 C ATOM 584 CG1 VAL A 40 2.127 0.344 -4.684 1.00 0.00 C ATOM 585 CG2 VAL A 40 1.323 0.346 -2.339 1.00 0.00 C ATOM 0 H VAL A 40 3.098 -2.768 -2.141 1.00 0.00 H new ATOM 0 HA VAL A 40 0.704 -1.834 -3.644 1.00 0.00 H new ATOM 0 HB VAL A 40 3.240 -0.427 -2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.436 1.380 -4.542 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.785 -0.135 -5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.102 0.319 -5.053 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.653 1.382 -2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.287 0.318 -2.676 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.399 -0.128 -1.360 1.00 0.00 H new ATOM 595 N ARG A 41 1.781 -2.781 -5.725 1.00 0.00 N ATOM 596 CA ARG A 41 2.326 -3.411 -6.915 1.00 0.00 C ATOM 597 C ARG A 41 1.930 -2.554 -8.101 1.00 0.00 C ATOM 598 O ARG A 41 0.992 -1.759 -7.997 1.00 0.00 O ATOM 599 CB ARG A 41 1.822 -4.856 -7.009 1.00 0.00 C ATOM 600 CG ARG A 41 0.296 -4.916 -7.183 1.00 0.00 C ATOM 601 CD ARG A 41 -0.184 -6.346 -7.003 1.00 0.00 C ATOM 602 NE ARG A 41 -1.640 -6.472 -7.169 1.00 0.00 N ATOM 603 CZ ARG A 41 -2.265 -6.754 -8.320 1.00 0.00 C ATOM 604 NH1 ARG A 41 -1.582 -6.833 -9.453 1.00 0.00 N ATOM 605 NH2 ARG A 41 -3.578 -6.961 -8.335 1.00 0.00 N ATOM 0 H ARG A 41 0.799 -2.519 -5.811 1.00 0.00 H new ATOM 0 HA ARG A 41 3.414 -3.475 -6.887 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.304 -5.355 -7.849 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.107 -5.400 -6.109 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.189 -4.265 -6.455 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.018 -4.551 -8.172 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.319 -6.989 -7.725 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.098 -6.699 -6.011 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.220 -6.334 -6.342 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.574 -6.679 -9.453 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.065 -7.048 -10.325 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.113 -6.905 -7.468 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.050 -7.175 -9.213 1.00 0.00 H new ATOM 619 N GLU A 42 2.626 -2.715 -9.214 1.00 0.00 N ATOM 620 CA GLU A 42 2.368 -1.963 -10.425 1.00 0.00 C ATOM 621 C GLU A 42 1.525 -2.835 -11.365 1.00 0.00 C ATOM 622 O GLU A 42 1.826 -4.014 -11.577 1.00 0.00 O ATOM 623 CB GLU A 42 3.712 -1.511 -11.022 1.00 0.00 C ATOM 624 CG GLU A 42 3.497 -0.586 -12.224 1.00 0.00 C ATOM 625 CD GLU A 42 4.814 -0.021 -12.769 1.00 0.00 C ATOM 626 OE1 GLU A 42 5.593 -0.799 -13.369 1.00 0.00 O ATOM 627 OE2 GLU A 42 5.089 1.184 -12.581 1.00 0.00 O ATOM 0 H GLU A 42 3.395 -3.380 -9.300 1.00 0.00 H new ATOM 0 HA GLU A 42 1.794 -1.056 -10.237 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.296 -0.994 -10.261 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.289 -2.383 -11.329 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.985 -1.135 -13.015 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.844 0.237 -11.934 1.00 0.00 H new ATOM 634 N SER A 43 0.417 -2.283 -11.861 1.00 0.00 N ATOM 635 CA SER A 43 -0.495 -2.936 -12.791 1.00 0.00 C ATOM 636 C SER A 43 0.278 -2.979 -14.117 1.00 0.00 C ATOM 637 O SER A 43 0.624 -1.922 -14.649 1.00 0.00 O ATOM 638 CB SER A 43 -1.803 -2.121 -12.856 1.00 0.00 C ATOM 639 OG SER A 43 -2.921 -2.885 -13.272 1.00 0.00 O ATOM 0 H SER A 43 0.123 -1.337 -11.616 1.00 0.00 H new ATOM 0 HA SER A 43 -0.794 -3.945 -12.507 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.007 -1.697 -11.873 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.668 -1.285 -13.542 1.00 0.00 H new ATOM 0 HG SER A 43 -3.718 -2.315 -13.292 1.00 0.00 H new ATOM 645 N GLN A 44 0.591 -4.170 -14.638 1.00 0.00 N ATOM 646 CA GLN A 44 1.352 -4.340 -15.876 1.00 0.00 C ATOM 647 C GLN A 44 0.795 -3.467 -17.010 1.00 0.00 C ATOM 648 O GLN A 44 -0.417 -3.426 -17.242 1.00 0.00 O ATOM 649 CB GLN A 44 1.412 -5.818 -16.310 1.00 0.00 C ATOM 650 CG GLN A 44 2.095 -6.784 -15.318 1.00 0.00 C ATOM 651 CD GLN A 44 1.231 -7.170 -14.116 1.00 0.00 C ATOM 652 OE1 GLN A 44 0.003 -7.221 -14.203 1.00 0.00 O ATOM 653 NE2 GLN A 44 1.820 -7.455 -12.969 1.00 0.00 N ATOM 0 H GLN A 44 0.319 -5.053 -14.205 1.00 0.00 H new ATOM 0 HA GLN A 44 2.369 -4.010 -15.666 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.394 -6.167 -16.485 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.937 -5.876 -17.263 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.381 -7.691 -15.851 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.015 -6.324 -14.956 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.836 -7.414 -12.894 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.259 -7.716 -12.159 1.00 0.00 H new ATOM 662 N GLY A 45 1.681 -2.753 -17.709 1.00 0.00 N ATOM 663 CA GLY A 45 1.365 -1.870 -18.826 1.00 0.00 C ATOM 664 C GLY A 45 0.729 -0.557 -18.376 1.00 0.00 C ATOM 665 O GLY A 45 1.252 0.518 -18.668 1.00 0.00 O ATOM 0 H GLY A 45 2.679 -2.778 -17.500 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.277 -1.655 -19.384 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.687 -2.382 -19.509 1.00 0.00 H new ATOM 669 N LYS A 46 -0.410 -0.630 -17.678 1.00 0.00 N ATOM 670 CA LYS A 46 -1.157 0.522 -17.163 1.00 0.00 C ATOM 671 C LYS A 46 -0.324 1.337 -16.156 1.00 0.00 C ATOM 672 O LYS A 46 -0.586 2.530 -15.991 1.00 0.00 O ATOM 673 CB LYS A 46 -2.490 0.003 -16.578 1.00 0.00 C ATOM 674 CG LYS A 46 -3.314 1.029 -15.789 1.00 0.00 C ATOM 675 CD LYS A 46 -3.823 2.234 -16.591 1.00 0.00 C ATOM 676 CE LYS A 46 -4.291 3.322 -15.607 1.00 0.00 C ATOM 677 NZ LYS A 46 -4.994 4.442 -16.268 1.00 0.00 N ATOM 0 H LYS A 46 -0.851 -1.521 -17.449 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.379 1.222 -17.968 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.102 -0.375 -17.397 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.274 -0.842 -15.925 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.172 0.519 -15.351 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.706 1.397 -14.962 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.032 2.621 -17.234 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.645 1.935 -17.242 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.953 2.873 -14.867 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.427 3.711 -15.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.283 5.140 -15.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.358 4.894 -16.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.836 4.081 -16.760 1.00 0.00 H new ATOM 691 N GLN A 47 0.662 0.719 -15.502 1.00 0.00 N ATOM 692 CA GLN A 47 1.590 1.281 -14.520 1.00 0.00 C ATOM 693 C GLN A 47 0.929 1.914 -13.288 1.00 0.00 C ATOM 694 O GLN A 47 1.565 2.643 -12.527 1.00 0.00 O ATOM 695 CB GLN A 47 2.573 2.215 -15.227 1.00 0.00 C ATOM 696 CG GLN A 47 3.499 1.465 -16.191 1.00 0.00 C ATOM 697 CD GLN A 47 3.981 2.429 -17.256 1.00 0.00 C ATOM 698 OE1 GLN A 47 5.014 3.077 -17.106 1.00 0.00 O ATOM 699 NE2 GLN A 47 3.195 2.633 -18.296 1.00 0.00 N ATOM 0 H GLN A 47 0.847 -0.272 -15.660 1.00 0.00 H new ATOM 0 HA GLN A 47 2.141 0.446 -14.088 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.017 2.974 -15.778 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.174 2.737 -14.482 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.347 1.046 -15.650 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.969 0.630 -16.650 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.341 2.086 -18.405 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.441 3.338 -18.991 1.00 0.00 H new ATOM 708 N GLU A 48 -0.363 1.664 -13.107 1.00 0.00 N ATOM 709 CA GLU A 48 -1.157 2.164 -12.001 1.00 0.00 C ATOM 710 C GLU A 48 -0.792 1.369 -10.757 1.00 0.00 C ATOM 711 O GLU A 48 -0.570 0.159 -10.841 1.00 0.00 O ATOM 712 CB GLU A 48 -2.614 2.001 -12.421 1.00 0.00 C ATOM 713 CG GLU A 48 -3.710 2.384 -11.437 1.00 0.00 C ATOM 714 CD GLU A 48 -5.022 2.355 -12.216 1.00 0.00 C ATOM 715 OE1 GLU A 48 -5.508 1.244 -12.532 1.00 0.00 O ATOM 716 OE2 GLU A 48 -5.510 3.443 -12.602 1.00 0.00 O ATOM 0 H GLU A 48 -0.902 1.086 -13.752 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.976 3.213 -11.764 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.764 2.589 -13.326 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.764 0.956 -12.691 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.741 1.687 -10.600 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.528 3.375 -11.020 1.00 0.00 H new ATOM 723 N TYR A 49 -0.670 2.049 -9.621 1.00 0.00 N ATOM 724 CA TYR A 49 -0.331 1.394 -8.375 1.00 0.00 C ATOM 725 C TYR A 49 -1.603 0.762 -7.811 1.00 0.00 C ATOM 726 O TYR A 49 -2.678 1.371 -7.819 1.00 0.00 O ATOM 727 CB TYR A 49 0.399 2.376 -7.445 1.00 0.00 C ATOM 728 CG TYR A 49 1.786 2.769 -7.939 1.00 0.00 C ATOM 729 CD1 TYR A 49 2.700 1.765 -8.316 1.00 0.00 C ATOM 730 CD2 TYR A 49 2.177 4.121 -8.020 1.00 0.00 C ATOM 731 CE1 TYR A 49 3.969 2.107 -8.804 1.00 0.00 C ATOM 732 CE2 TYR A 49 3.459 4.468 -8.497 1.00 0.00 C ATOM 733 CZ TYR A 49 4.363 3.456 -8.901 1.00 0.00 C ATOM 734 OH TYR A 49 5.623 3.730 -9.338 1.00 0.00 O ATOM 0 H TYR A 49 -0.803 3.057 -9.544 1.00 0.00 H new ATOM 0 HA TYR A 49 0.380 0.579 -8.512 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.206 3.276 -7.334 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.489 1.928 -6.456 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.421 0.725 -8.228 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.490 4.897 -7.715 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.652 1.328 -9.109 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.751 5.506 -8.554 1.00 0.00 H new ATOM 0 HH TYR A 49 5.759 4.700 -9.357 1.00 0.00 H new ATOM 744 N VAL A 50 -1.473 -0.461 -7.296 1.00 0.00 N ATOM 745 CA VAL A 50 -2.566 -1.243 -6.743 1.00 0.00 C ATOM 746 C VAL A 50 -2.258 -1.640 -5.308 1.00 0.00 C ATOM 747 O VAL A 50 -1.308 -2.388 -5.061 1.00 0.00 O ATOM 748 CB VAL A 50 -2.808 -2.495 -7.613 1.00 0.00 C ATOM 749 CG1 VAL A 50 -4.100 -3.189 -7.159 1.00 0.00 C ATOM 750 CG2 VAL A 50 -2.849 -2.184 -9.114 1.00 0.00 C ATOM 0 H VAL A 50 -0.576 -0.944 -7.253 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.472 -0.637 -6.743 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.960 -3.165 -7.470 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.273 -4.073 -7.772 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.006 -3.485 -6.114 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.939 -2.502 -7.268 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.022 -3.104 -9.672 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.655 -1.479 -9.318 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.899 -1.747 -9.421 1.00 0.00 H new ATOM 760 N LEU A 51 -3.035 -1.114 -4.364 1.00 0.00 N ATOM 761 CA LEU A 51 -2.893 -1.426 -2.956 1.00 0.00 C ATOM 762 C LEU A 51 -3.504 -2.810 -2.791 1.00 0.00 C ATOM 763 O LEU A 51 -4.685 -3.003 -3.085 1.00 0.00 O ATOM 764 CB LEU A 51 -3.675 -0.426 -2.096 1.00 0.00 C ATOM 765 CG LEU A 51 -3.339 -0.590 -0.606 1.00 0.00 C ATOM 766 CD1 LEU A 51 -2.001 0.070 -0.278 1.00 0.00 C ATOM 767 CD2 LEU A 51 -4.441 0.023 0.258 1.00 0.00 C ATOM 0 H LEU A 51 -3.786 -0.454 -4.564 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.850 -1.383 -2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.442 0.590 -2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.745 -0.571 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.267 -1.656 -0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.782 -0.058 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.212 -0.394 -0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.053 1.133 -0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.189 -0.101 1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.534 1.085 0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.387 -0.477 0.050 1.00 0.00 H new ATOM 779 N SER A 52 -2.723 -3.806 -2.406 1.00 0.00 N ATOM 780 CA SER A 52 -3.226 -5.153 -2.208 1.00 0.00 C ATOM 781 C SER A 52 -3.125 -5.389 -0.704 1.00 0.00 C ATOM 782 O SER A 52 -2.066 -5.147 -0.132 1.00 0.00 O ATOM 783 CB SER A 52 -2.409 -6.101 -3.093 1.00 0.00 C ATOM 784 OG SER A 52 -2.469 -5.647 -4.446 1.00 0.00 O ATOM 0 H SER A 52 -1.725 -3.703 -2.223 1.00 0.00 H new ATOM 0 HA SER A 52 -4.261 -5.322 -2.506 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.374 -6.134 -2.753 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.801 -7.115 -3.019 1.00 0.00 H new ATOM 0 HG SER A 52 -3.263 -6.021 -4.882 1.00 0.00 H new ATOM 790 N VAL A 53 -4.228 -5.720 -0.030 1.00 0.00 N ATOM 791 CA VAL A 53 -4.231 -5.983 1.412 1.00 0.00 C ATOM 792 C VAL A 53 -5.080 -7.231 1.669 1.00 0.00 C ATOM 793 O VAL A 53 -5.806 -7.669 0.773 1.00 0.00 O ATOM 794 CB VAL A 53 -4.633 -4.746 2.270 1.00 0.00 C ATOM 795 CG1 VAL A 53 -4.673 -3.406 1.531 1.00 0.00 C ATOM 796 CG2 VAL A 53 -5.912 -4.879 3.048 1.00 0.00 C ATOM 0 H VAL A 53 -5.145 -5.814 -0.467 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.212 -6.182 1.745 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.796 -4.737 2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.964 -2.617 2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.686 -3.186 1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.397 -3.460 0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.094 -3.962 3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.739 -5.055 2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.831 -5.717 3.740 1.00 0.00 H new ATOM 806 N LEU A 54 -4.992 -7.828 2.854 1.00 0.00 N ATOM 807 CA LEU A 54 -5.753 -9.009 3.244 1.00 0.00 C ATOM 808 C LEU A 54 -6.668 -8.624 4.403 1.00 0.00 C ATOM 809 O LEU A 54 -6.276 -7.836 5.264 1.00 0.00 O ATOM 810 CB LEU A 54 -4.763 -10.133 3.581 1.00 0.00 C ATOM 811 CG LEU A 54 -5.356 -11.380 4.253 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.466 -12.026 3.424 1.00 0.00 C ATOM 813 CD2 LEU A 54 -4.251 -12.418 4.444 1.00 0.00 C ATOM 0 H LEU A 54 -4.371 -7.493 3.590 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.392 -9.381 2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.269 -10.442 2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.992 -9.726 4.235 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.782 -11.058 5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.848 -12.902 3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.275 -11.310 3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.068 -12.327 2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.665 -13.306 4.921 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.834 -12.688 3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.465 -12.001 5.074 1.00 0.00 H new ATOM 825 N TRP A 55 -7.901 -9.130 4.412 1.00 0.00 N ATOM 826 CA TRP A 55 -8.886 -8.872 5.446 1.00 0.00 C ATOM 827 C TRP A 55 -9.944 -9.968 5.401 1.00 0.00 C ATOM 828 O TRP A 55 -10.278 -10.428 4.310 1.00 0.00 O ATOM 829 CB TRP A 55 -9.545 -7.521 5.187 1.00 0.00 C ATOM 830 CG TRP A 55 -10.257 -6.955 6.367 1.00 0.00 C ATOM 831 CD1 TRP A 55 -11.573 -7.085 6.635 1.00 0.00 C ATOM 832 CD2 TRP A 55 -9.698 -6.169 7.457 1.00 0.00 C ATOM 833 NE1 TRP A 55 -11.866 -6.430 7.812 1.00 0.00 N ATOM 834 CE2 TRP A 55 -10.755 -5.809 8.343 1.00 0.00 C ATOM 835 CE3 TRP A 55 -8.406 -5.700 7.765 1.00 0.00 C ATOM 836 CZ2 TRP A 55 -10.540 -4.996 9.464 1.00 0.00 C ATOM 837 CZ3 TRP A 55 -8.184 -4.884 8.886 1.00 0.00 C ATOM 838 CH2 TRP A 55 -9.248 -4.516 9.727 1.00 0.00 C ATOM 0 H TRP A 55 -8.246 -9.747 3.677 1.00 0.00 H new ATOM 0 HA TRP A 55 -8.406 -8.860 6.424 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.782 -6.813 4.862 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -10.253 -7.626 4.365 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -12.285 -7.619 6.023 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -12.792 -6.407 8.239 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.575 -5.972 7.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -11.360 -4.742 10.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.185 -4.536 9.104 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -9.072 -3.867 10.572 1.00 0.00 H new ATOM 849 N ASP A 56 -10.477 -10.372 6.555 1.00 0.00 N ATOM 850 CA ASP A 56 -11.511 -11.400 6.743 1.00 0.00 C ATOM 851 C ASP A 56 -11.231 -12.724 6.007 1.00 0.00 C ATOM 852 O ASP A 56 -12.145 -13.533 5.822 1.00 0.00 O ATOM 853 CB ASP A 56 -12.898 -10.814 6.403 1.00 0.00 C ATOM 854 CG ASP A 56 -14.052 -11.530 7.107 1.00 0.00 C ATOM 855 OD1 ASP A 56 -13.983 -11.735 8.339 1.00 0.00 O ATOM 856 OD2 ASP A 56 -15.123 -11.731 6.490 1.00 0.00 O ATOM 0 H ASP A 56 -10.181 -9.966 7.443 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.494 -11.680 7.796 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.915 -9.759 6.676 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.052 -10.867 5.325 1.00 0.00 H new ATOM 861 N GLY A 57 -9.976 -12.981 5.607 1.00 0.00 N ATOM 862 CA GLY A 57 -9.571 -14.185 4.887 1.00 0.00 C ATOM 863 C GLY A 57 -9.701 -14.048 3.367 1.00 0.00 C ATOM 864 O GLY A 57 -9.833 -15.060 2.676 1.00 0.00 O ATOM 0 H GLY A 57 -9.202 -12.340 5.782 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.537 -14.420 5.138 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.179 -15.024 5.224 1.00 0.00 H new ATOM 868 N LEU A 58 -9.682 -12.827 2.819 1.00 0.00 N ATOM 869 CA LEU A 58 -9.807 -12.534 1.397 1.00 0.00 C ATOM 870 C LEU A 58 -8.840 -11.411 0.983 1.00 0.00 C ATOM 871 O LEU A 58 -9.015 -10.282 1.443 1.00 0.00 O ATOM 872 CB LEU A 58 -11.270 -12.126 1.130 1.00 0.00 C ATOM 873 CG LEU A 58 -11.735 -12.208 -0.337 1.00 0.00 C ATOM 874 CD1 LEU A 58 -13.187 -11.724 -0.416 1.00 0.00 C ATOM 875 CD2 LEU A 58 -10.893 -11.412 -1.342 1.00 0.00 C ATOM 0 H LEU A 58 -9.574 -11.984 3.384 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.547 -13.412 0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.920 -12.761 1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.411 -11.103 1.479 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.621 -13.253 -0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -13.532 -11.776 -1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -13.816 -12.358 0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -13.247 -10.694 -0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.306 -11.538 -2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.908 -10.356 -1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -9.866 -11.776 -1.325 1.00 0.00 H new ATOM 887 N PRO A 59 -7.825 -11.659 0.130 1.00 0.00 N ATOM 888 CA PRO A 59 -6.909 -10.615 -0.320 1.00 0.00 C ATOM 889 C PRO A 59 -7.665 -9.646 -1.249 1.00 0.00 C ATOM 890 O PRO A 59 -7.972 -9.980 -2.396 1.00 0.00 O ATOM 891 CB PRO A 59 -5.746 -11.347 -0.992 1.00 0.00 C ATOM 892 CG PRO A 59 -6.371 -12.642 -1.498 1.00 0.00 C ATOM 893 CD PRO A 59 -7.473 -12.938 -0.478 1.00 0.00 C ATOM 0 HA PRO A 59 -6.516 -9.995 0.486 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.324 -10.761 -1.809 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.937 -11.542 -0.288 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.777 -12.524 -2.503 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.639 -13.449 -1.542 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.339 -13.390 -0.962 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.125 -13.644 0.276 1.00 0.00 H new ATOM 901 N ARG A 60 -8.060 -8.476 -0.737 1.00 0.00 N ATOM 902 CA ARG A 60 -8.779 -7.446 -1.483 1.00 0.00 C ATOM 903 C ARG A 60 -7.747 -6.610 -2.244 1.00 0.00 C ATOM 904 O ARG A 60 -6.574 -6.550 -1.863 1.00 0.00 O ATOM 905 CB ARG A 60 -9.572 -6.549 -0.510 1.00 0.00 C ATOM 906 CG ARG A 60 -10.506 -7.255 0.493 1.00 0.00 C ATOM 907 CD ARG A 60 -11.733 -7.962 -0.097 1.00 0.00 C ATOM 908 NE ARG A 60 -12.860 -7.037 -0.334 1.00 0.00 N ATOM 909 CZ ARG A 60 -14.163 -7.264 -0.102 1.00 0.00 C ATOM 910 NH1 ARG A 60 -14.576 -8.353 0.532 1.00 0.00 N ATOM 911 NH2 ARG A 60 -15.062 -6.390 -0.542 1.00 0.00 N ATOM 0 H ARG A 60 -7.882 -8.215 0.233 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.483 -7.902 -2.179 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.858 -5.950 0.056 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -10.172 -5.856 -1.101 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.921 -7.990 1.045 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.852 -6.516 1.215 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.456 -8.440 -1.037 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.053 -8.753 0.581 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.621 -6.122 -0.717 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.898 -9.042 0.856 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.572 -8.501 0.695 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -14.759 -5.559 -1.049 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -16.055 -6.551 -0.372 1.00 0.00 H new ATOM 925 N HIS A 61 -8.160 -5.931 -3.309 1.00 0.00 N ATOM 926 CA HIS A 61 -7.281 -5.078 -4.109 1.00 0.00 C ATOM 927 C HIS A 61 -8.008 -3.756 -4.288 1.00 0.00 C ATOM 928 O HIS A 61 -9.171 -3.753 -4.697 1.00 0.00 O ATOM 929 CB HIS A 61 -6.940 -5.718 -5.458 1.00 0.00 C ATOM 930 CG HIS A 61 -6.203 -7.032 -5.376 1.00 0.00 C ATOM 931 ND1 HIS A 61 -4.843 -7.215 -5.209 1.00 0.00 N ATOM 932 CD2 HIS A 61 -6.770 -8.265 -5.551 1.00 0.00 C ATOM 933 CE1 HIS A 61 -4.596 -8.533 -5.334 1.00 0.00 C ATOM 934 NE2 HIS A 61 -5.735 -9.204 -5.587 1.00 0.00 N ATOM 0 H HIS A 61 -9.122 -5.956 -3.646 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.326 -4.932 -3.605 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -7.865 -5.872 -6.013 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.336 -5.016 -6.033 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -7.825 -8.475 -5.644 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -3.621 -8.988 -5.244 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -5.825 -10.203 -5.770 1.00 0.00 H new ATOM 942 N PHE A 62 -7.334 -2.653 -3.987 1.00 0.00 N ATOM 943 CA PHE A 62 -7.870 -1.311 -4.070 1.00 0.00 C ATOM 944 C PHE A 62 -7.006 -0.520 -5.046 1.00 0.00 C ATOM 945 O PHE A 62 -5.799 -0.384 -4.838 1.00 0.00 O ATOM 946 CB PHE A 62 -7.903 -0.692 -2.667 1.00 0.00 C ATOM 947 CG PHE A 62 -8.606 -1.520 -1.604 1.00 0.00 C ATOM 948 CD1 PHE A 62 -7.925 -2.545 -0.907 1.00 0.00 C ATOM 949 CD2 PHE A 62 -9.950 -1.245 -1.291 1.00 0.00 C ATOM 950 CE1 PHE A 62 -8.586 -3.273 0.092 1.00 0.00 C ATOM 951 CE2 PHE A 62 -10.612 -1.988 -0.299 1.00 0.00 C ATOM 952 CZ PHE A 62 -9.932 -3.007 0.386 1.00 0.00 C ATOM 0 H PHE A 62 -6.366 -2.675 -3.668 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.895 -1.306 -4.442 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.878 -0.512 -2.344 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.393 0.280 -2.729 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.895 -2.767 -1.145 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -10.475 -0.460 -1.815 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.058 -4.041 0.637 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -11.644 -1.775 -0.064 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.445 -3.586 1.139 1.00 0.00 H new ATOM 962 N ILE A 63 -7.592 -0.091 -6.164 1.00 0.00 N ATOM 963 CA ILE A 63 -6.870 0.693 -7.165 1.00 0.00 C ATOM 964 C ILE A 63 -6.565 2.039 -6.510 1.00 0.00 C ATOM 965 O ILE A 63 -7.433 2.592 -5.828 1.00 0.00 O ATOM 966 CB ILE A 63 -7.713 0.837 -8.453 1.00 0.00 C ATOM 967 CG1 ILE A 63 -8.007 -0.532 -9.114 1.00 0.00 C ATOM 968 CG2 ILE A 63 -7.061 1.799 -9.463 1.00 0.00 C ATOM 969 CD1 ILE A 63 -6.781 -1.309 -9.611 1.00 0.00 C ATOM 0 H ILE A 63 -8.567 -0.274 -6.399 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.943 0.209 -7.474 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.666 1.268 -8.147 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.541 -1.154 -8.396 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.678 -0.371 -9.958 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.686 1.871 -10.353 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.958 2.786 -9.011 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.077 1.423 -9.741 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.103 -2.251 -10.055 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.253 -0.717 -10.359 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.115 -1.512 -8.773 1.00 0.00 H new ATOM 981 N ILE A 64 -5.362 2.569 -6.732 1.00 0.00 N ATOM 982 CA ILE A 64 -4.950 3.837 -6.154 1.00 0.00 C ATOM 983 C ILE A 64 -5.133 4.940 -7.193 1.00 0.00 C ATOM 984 O ILE A 64 -4.382 4.990 -8.172 1.00 0.00 O ATOM 985 CB ILE A 64 -3.511 3.754 -5.590 1.00 0.00 C ATOM 986 CG1 ILE A 64 -3.306 2.556 -4.626 1.00 0.00 C ATOM 987 CG2 ILE A 64 -3.183 5.066 -4.854 1.00 0.00 C ATOM 988 CD1 ILE A 64 -1.831 2.200 -4.417 1.00 0.00 C ATOM 0 H ILE A 64 -4.652 2.129 -7.317 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.580 4.081 -5.299 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.839 3.601 -6.435 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.757 2.791 -3.662 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.832 1.686 -5.020 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.170 5.015 -4.454 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.257 5.902 -5.550 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.889 5.211 -4.037 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.754 1.355 -3.733 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.382 1.935 -5.374 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.306 3.057 -3.995 1.00 0.00 H new ATOM 1000 N GLN A 65 -6.168 5.771 -7.030 1.00 0.00 N ATOM 1001 CA GLN A 65 -6.424 6.881 -7.937 1.00 0.00 C ATOM 1002 C GLN A 65 -5.368 7.963 -7.677 1.00 0.00 C ATOM 1003 O GLN A 65 -4.807 8.045 -6.584 1.00 0.00 O ATOM 1004 CB GLN A 65 -7.829 7.473 -7.721 1.00 0.00 C ATOM 1005 CG GLN A 65 -8.987 6.543 -8.096 1.00 0.00 C ATOM 1006 CD GLN A 65 -9.251 5.434 -7.082 1.00 0.00 C ATOM 1007 OE1 GLN A 65 -9.560 5.693 -5.925 1.00 0.00 O ATOM 1008 NE2 GLN A 65 -9.199 4.184 -7.490 1.00 0.00 N ATOM 0 H GLN A 65 -6.844 5.689 -6.270 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.371 6.520 -8.964 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.932 7.753 -6.672 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.915 8.389 -8.305 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.893 7.138 -8.212 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.776 6.091 -9.065 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.941 3.972 -8.454 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.416 3.427 -6.842 1.00 0.00 H new ATOM 1017 N SER A 66 -5.147 8.841 -8.650 1.00 0.00 N ATOM 1018 CA SER A 66 -4.198 9.942 -8.609 1.00 0.00 C ATOM 1019 C SER A 66 -4.870 11.120 -9.309 1.00 0.00 C ATOM 1020 O SER A 66 -4.845 11.216 -10.537 1.00 0.00 O ATOM 1021 CB SER A 66 -2.885 9.505 -9.272 1.00 0.00 C ATOM 1022 OG SER A 66 -3.102 8.752 -10.455 1.00 0.00 O ATOM 0 H SER A 66 -5.653 8.799 -9.534 1.00 0.00 H new ATOM 0 HA SER A 66 -3.936 10.240 -7.594 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.290 10.387 -9.510 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.305 8.910 -8.567 1.00 0.00 H new ATOM 0 HG SER A 66 -3.776 9.199 -11.008 1.00 0.00 H new ATOM 1028 N LEU A 67 -5.578 11.947 -8.543 1.00 0.00 N ATOM 1029 CA LEU A 67 -6.287 13.114 -9.056 1.00 0.00 C ATOM 1030 C LEU A 67 -5.480 14.318 -8.656 1.00 0.00 C ATOM 1031 O LEU A 67 -5.024 14.383 -7.512 1.00 0.00 O ATOM 1032 CB LEU A 67 -7.677 13.270 -8.418 1.00 0.00 C ATOM 1033 CG LEU A 67 -8.846 12.527 -9.068 1.00 0.00 C ATOM 1034 CD1 LEU A 67 -8.962 12.792 -10.570 1.00 0.00 C ATOM 1035 CD2 LEU A 67 -8.788 11.020 -8.802 1.00 0.00 C ATOM 0 H LEU A 67 -5.676 11.823 -7.535 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.411 13.007 -10.134 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.608 12.944 -7.380 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.922 14.332 -8.403 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.742 12.928 -8.595 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.809 12.237 -10.973 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.112 13.858 -10.741 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.048 12.470 -11.068 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.637 10.533 -9.282 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.861 10.615 -9.207 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.825 10.838 -7.728 1.00 0.00 H new ATOM 1047 N ASP A 68 -5.324 15.281 -9.562 1.00 0.00 N ATOM 1048 CA ASP A 68 -4.564 16.503 -9.303 1.00 0.00 C ATOM 1049 C ASP A 68 -3.166 16.164 -8.756 1.00 0.00 C ATOM 1050 O ASP A 68 -2.611 16.871 -7.919 1.00 0.00 O ATOM 1051 CB ASP A 68 -5.413 17.437 -8.412 1.00 0.00 C ATOM 1052 CG ASP A 68 -6.520 18.187 -9.151 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -6.504 18.221 -10.405 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -7.383 18.777 -8.458 1.00 0.00 O ATOM 0 H ASP A 68 -5.722 15.236 -10.500 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.368 17.053 -10.223 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.863 16.846 -7.614 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.753 18.164 -7.938 1.00 0.00 H new ATOM 1059 N ASN A 69 -2.601 15.049 -9.243 1.00 0.00 N ATOM 1060 CA ASN A 69 -1.299 14.468 -8.902 1.00 0.00 C ATOM 1061 C ASN A 69 -1.250 13.861 -7.494 1.00 0.00 C ATOM 1062 O ASN A 69 -0.258 13.227 -7.143 1.00 0.00 O ATOM 1063 CB ASN A 69 -0.168 15.492 -9.096 1.00 0.00 C ATOM 1064 CG ASN A 69 1.187 14.824 -9.266 1.00 0.00 C ATOM 1065 OD1 ASN A 69 2.014 14.812 -8.366 1.00 0.00 O ATOM 1066 ND2 ASN A 69 1.451 14.263 -10.435 1.00 0.00 N ATOM 0 H ASN A 69 -3.085 14.486 -9.943 1.00 0.00 H new ATOM 0 HA ASN A 69 -1.149 13.641 -9.596 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.381 16.105 -9.971 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.136 16.163 -8.237 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.353 13.814 -10.593 1.00 0.00 H new ATOM 0 HD22 ASN A 69 0.752 14.280 -11.178 1.00 0.00 H new ATOM 1073 N LEU A 70 -2.310 13.998 -6.693 1.00 0.00 N ATOM 1074 CA LEU A 70 -2.367 13.497 -5.331 1.00 0.00 C ATOM 1075 C LEU A 70 -3.097 12.163 -5.280 1.00 0.00 C ATOM 1076 O LEU A 70 -4.238 12.043 -5.744 1.00 0.00 O ATOM 1077 CB LEU A 70 -3.026 14.534 -4.405 1.00 0.00 C ATOM 1078 CG LEU A 70 -2.035 15.529 -3.782 1.00 0.00 C ATOM 1079 CD1 LEU A 70 -1.391 16.467 -4.795 1.00 0.00 C ATOM 1080 CD2 LEU A 70 -2.700 16.357 -2.691 1.00 0.00 C ATOM 0 H LEU A 70 -3.165 14.470 -6.985 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.350 13.330 -4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.775 15.088 -4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.552 14.011 -3.606 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.242 14.913 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.704 17.140 -4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.843 15.883 -5.534 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.165 17.050 -5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.974 17.052 -2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.534 16.916 -3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.069 15.696 -1.906 1.00 0.00 H new ATOM 1092 N TYR A 71 -2.403 11.158 -4.750 1.00 0.00 N ATOM 1093 CA TYR A 71 -2.919 9.809 -4.598 1.00 0.00 C ATOM 1094 C TYR A 71 -3.955 9.838 -3.490 1.00 0.00 C ATOM 1095 O TYR A 71 -3.655 10.368 -2.421 1.00 0.00 O ATOM 1096 CB TYR A 71 -1.789 8.838 -4.265 1.00 0.00 C ATOM 1097 CG TYR A 71 -0.778 8.702 -5.382 1.00 0.00 C ATOM 1098 CD1 TYR A 71 -1.101 7.969 -6.538 1.00 0.00 C ATOM 1099 CD2 TYR A 71 0.485 9.305 -5.263 1.00 0.00 C ATOM 1100 CE1 TYR A 71 -0.152 7.803 -7.563 1.00 0.00 C ATOM 1101 CE2 TYR A 71 1.444 9.134 -6.275 1.00 0.00 C ATOM 1102 CZ TYR A 71 1.130 8.379 -7.430 1.00 0.00 C ATOM 1103 OH TYR A 71 2.072 8.186 -8.393 1.00 0.00 O ATOM 0 H TYR A 71 -1.448 11.266 -4.409 1.00 0.00 H new ATOM 0 HA TYR A 71 -3.373 9.465 -5.527 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.281 9.176 -3.362 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -2.213 7.858 -4.044 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.083 7.531 -6.639 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.719 9.900 -4.393 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.403 7.237 -8.448 1.00 0.00 H new ATOM 0 HE2 TYR A 71 2.422 9.579 -6.171 1.00 0.00 H new ATOM 0 HH TYR A 71 2.896 8.653 -8.143 1.00 0.00 H new ATOM 1113 N ARG A 72 -5.156 9.314 -3.734 1.00 0.00 N ATOM 1114 CA ARG A 72 -6.269 9.286 -2.782 1.00 0.00 C ATOM 1115 C ARG A 72 -7.199 8.122 -3.126 1.00 0.00 C ATOM 1116 O ARG A 72 -7.215 7.700 -4.281 1.00 0.00 O ATOM 1117 CB ARG A 72 -7.021 10.636 -2.872 1.00 0.00 C ATOM 1118 CG ARG A 72 -7.563 10.946 -4.283 1.00 0.00 C ATOM 1119 CD ARG A 72 -8.045 12.386 -4.483 1.00 0.00 C ATOM 1120 NE ARG A 72 -6.940 13.333 -4.753 1.00 0.00 N ATOM 1121 CZ ARG A 72 -6.968 14.655 -4.531 1.00 0.00 C ATOM 1122 NH1 ARG A 72 -7.760 15.181 -3.604 1.00 0.00 N ATOM 1123 NH2 ARG A 72 -6.188 15.458 -5.239 1.00 0.00 N ATOM 0 H ARG A 72 -5.390 8.883 -4.628 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.905 9.144 -1.765 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.852 10.628 -2.166 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.350 11.438 -2.565 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.781 10.735 -5.012 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.389 10.268 -4.497 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.752 12.415 -5.312 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.584 12.710 -3.593 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.081 12.945 -5.143 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.362 14.577 -3.045 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.766 16.189 -3.451 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.569 15.070 -5.951 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.207 16.464 -5.073 1.00 0.00 H new ATOM 1137 N LEU A 73 -7.983 7.639 -2.159 1.00 0.00 N ATOM 1138 CA LEU A 73 -8.939 6.534 -2.340 1.00 0.00 C ATOM 1139 C LEU A 73 -10.317 6.874 -1.778 1.00 0.00 C ATOM 1140 O LEU A 73 -11.317 6.371 -2.300 1.00 0.00 O ATOM 1141 CB LEU A 73 -8.471 5.248 -1.629 1.00 0.00 C ATOM 1142 CG LEU A 73 -7.753 4.239 -2.536 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -6.375 4.746 -2.940 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -7.592 2.908 -1.794 1.00 0.00 C ATOM 0 H LEU A 73 -7.974 8.009 -1.209 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.996 6.376 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.802 5.523 -0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.337 4.761 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.355 4.104 -3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.890 4.010 -3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.478 5.687 -3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.769 4.904 -2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.082 2.192 -2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.005 3.065 -0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.575 2.520 -1.526 1.00 0.00 H new ATOM 1156 N GLU A 74 -10.386 7.605 -0.661 1.00 0.00 N ATOM 1157 CA GLU A 74 -11.662 7.992 -0.050 1.00 0.00 C ATOM 1158 C GLU A 74 -11.530 9.193 0.888 1.00 0.00 C ATOM 1159 O GLU A 74 -12.532 9.836 1.168 1.00 0.00 O ATOM 1160 CB GLU A 74 -12.341 6.805 0.672 1.00 0.00 C ATOM 1161 CG GLU A 74 -11.914 6.529 2.132 1.00 0.00 C ATOM 1162 CD GLU A 74 -13.057 6.834 3.111 1.00 0.00 C ATOM 1163 OE1 GLU A 74 -14.017 6.025 3.195 1.00 0.00 O ATOM 1164 OE2 GLU A 74 -13.035 7.899 3.771 1.00 0.00 O ATOM 0 H GLU A 74 -9.566 7.943 -0.158 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.305 8.298 -0.875 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -13.418 6.974 0.661 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.154 5.903 0.089 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.612 5.487 2.235 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.045 7.139 2.381 1.00 0.00 H new ATOM 1171 N GLY A 75 -10.336 9.504 1.386 1.00 0.00 N ATOM 1172 CA GLY A 75 -10.078 10.620 2.281 1.00 0.00 C ATOM 1173 C GLY A 75 -9.217 11.623 1.529 1.00 0.00 C ATOM 1174 O GLY A 75 -9.363 11.764 0.308 1.00 0.00 O ATOM 0 H GLY A 75 -9.497 8.967 1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.014 11.081 2.598 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.569 10.278 3.182 1.00 0.00 H new ATOM 1178 N GLU A 76 -8.349 12.341 2.238 1.00 0.00 N ATOM 1179 CA GLU A 76 -7.422 13.314 1.669 1.00 0.00 C ATOM 1180 C GLU A 76 -6.400 12.557 0.803 1.00 0.00 C ATOM 1181 O GLU A 76 -6.291 11.327 0.873 1.00 0.00 O ATOM 1182 CB GLU A 76 -6.685 14.070 2.793 1.00 0.00 C ATOM 1183 CG GLU A 76 -7.549 15.181 3.401 1.00 0.00 C ATOM 1184 CD GLU A 76 -6.852 15.936 4.536 1.00 0.00 C ATOM 1185 OE1 GLU A 76 -5.697 16.399 4.380 1.00 0.00 O ATOM 1186 OE2 GLU A 76 -7.483 16.114 5.605 1.00 0.00 O ATOM 0 H GLU A 76 -8.270 12.259 3.252 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.971 14.038 1.067 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.397 13.367 3.574 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.766 14.501 2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.824 15.888 2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.475 14.747 3.777 1.00 0.00 H new ATOM 1193 N GLY A 77 -5.679 13.273 -0.064 1.00 0.00 N ATOM 1194 CA GLY A 77 -4.656 12.704 -0.921 1.00 0.00 C ATOM 1195 C GLY A 77 -3.301 13.313 -0.595 1.00 0.00 C ATOM 1196 O GLY A 77 -3.242 14.335 0.095 1.00 0.00 O ATOM 0 H GLY A 77 -5.798 14.279 -0.186 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.619 11.623 -0.787 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.904 12.887 -1.967 1.00 0.00 H new ATOM 1200 N PHE A 78 -2.225 12.722 -1.119 1.00 0.00 N ATOM 1201 CA PHE A 78 -0.852 13.179 -0.900 1.00 0.00 C ATOM 1202 C PHE A 78 -0.058 13.146 -2.202 1.00 0.00 C ATOM 1203 O PHE A 78 -0.380 12.342 -3.078 1.00 0.00 O ATOM 1204 CB PHE A 78 -0.144 12.295 0.122 1.00 0.00 C ATOM 1205 CG PHE A 78 -0.593 12.495 1.551 1.00 0.00 C ATOM 1206 CD1 PHE A 78 -1.800 11.934 2.000 1.00 0.00 C ATOM 1207 CD2 PHE A 78 0.194 13.261 2.429 1.00 0.00 C ATOM 1208 CE1 PHE A 78 -2.211 12.126 3.330 1.00 0.00 C ATOM 1209 CE2 PHE A 78 -0.206 13.435 3.762 1.00 0.00 C ATOM 1210 CZ PHE A 78 -1.410 12.870 4.213 1.00 0.00 C ATOM 0 H PHE A 78 -2.285 11.898 -1.718 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.904 14.202 -0.527 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.301 11.251 -0.151 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.928 12.482 0.063 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.412 11.356 1.324 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.108 13.716 2.076 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.143 11.702 3.674 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.412 14.003 4.441 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.720 13.007 5.238 1.00 0.00 H new ATOM 1220 N PRO A 79 1.006 13.962 -2.324 1.00 0.00 N ATOM 1221 CA PRO A 79 1.837 14.046 -3.526 1.00 0.00 C ATOM 1222 C PRO A 79 2.598 12.766 -3.850 1.00 0.00 C ATOM 1223 O PRO A 79 3.170 12.659 -4.933 1.00 0.00 O ATOM 1224 CB PRO A 79 2.828 15.183 -3.247 1.00 0.00 C ATOM 1225 CG PRO A 79 2.919 15.211 -1.727 1.00 0.00 C ATOM 1226 CD PRO A 79 1.473 14.934 -1.342 1.00 0.00 C ATOM 0 HA PRO A 79 1.202 14.218 -4.395 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.799 14.990 -3.704 1.00 0.00 H new ATOM 0 HB3 PRO A 79 2.471 16.133 -3.645 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.601 14.453 -1.341 1.00 0.00 H new ATOM 0 HG3 PRO A 79 3.268 16.173 -1.353 1.00 0.00 H new ATOM 0 HD2 PRO A 79 1.402 14.538 -0.329 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.874 15.845 -1.371 1.00 0.00 H new ATOM 1234 N SER A 80 2.648 11.808 -2.926 1.00 0.00 N ATOM 1235 CA SER A 80 3.357 10.550 -3.102 1.00 0.00 C ATOM 1236 C SER A 80 2.583 9.424 -2.413 1.00 0.00 C ATOM 1237 O SER A 80 1.731 9.682 -1.562 1.00 0.00 O ATOM 1238 CB SER A 80 4.780 10.738 -2.558 1.00 0.00 C ATOM 1239 OG SER A 80 5.541 11.603 -3.391 1.00 0.00 O ATOM 0 H SER A 80 2.188 11.890 -2.020 1.00 0.00 H new ATOM 0 HA SER A 80 3.432 10.265 -4.151 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.735 11.148 -1.549 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.275 9.770 -2.487 1.00 0.00 H new ATOM 0 HG SER A 80 6.442 11.706 -3.019 1.00 0.00 H new ATOM 1245 N ILE A 81 2.859 8.175 -2.795 1.00 0.00 N ATOM 1246 CA ILE A 81 2.195 7.008 -2.234 1.00 0.00 C ATOM 1247 C ILE A 81 2.591 6.795 -0.761 1.00 0.00 C ATOM 1248 O ILE A 81 1.677 6.719 0.055 1.00 0.00 O ATOM 1249 CB ILE A 81 2.451 5.736 -3.083 1.00 0.00 C ATOM 1250 CG1 ILE A 81 1.941 5.851 -4.539 1.00 0.00 C ATOM 1251 CG2 ILE A 81 1.866 4.472 -2.419 1.00 0.00 C ATOM 1252 CD1 ILE A 81 0.444 5.621 -4.724 1.00 0.00 C ATOM 0 H ILE A 81 3.554 7.949 -3.507 1.00 0.00 H new ATOM 0 HA ILE A 81 1.122 7.199 -2.263 1.00 0.00 H new ATOM 0 HB ILE A 81 3.536 5.642 -3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.189 6.843 -4.916 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.481 5.132 -5.154 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.068 3.604 -3.047 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.327 4.328 -1.442 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.789 4.590 -2.298 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.188 5.724 -5.778 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.185 4.618 -4.384 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.112 6.356 -4.142 1.00 0.00 H new ATOM 1264 N PRO A 82 3.886 6.721 -0.369 1.00 0.00 N ATOM 1265 CA PRO A 82 4.262 6.477 1.029 1.00 0.00 C ATOM 1266 C PRO A 82 3.689 7.522 1.994 1.00 0.00 C ATOM 1267 O PRO A 82 3.302 7.191 3.119 1.00 0.00 O ATOM 1268 CB PRO A 82 5.791 6.392 1.071 1.00 0.00 C ATOM 1269 CG PRO A 82 6.251 7.018 -0.239 1.00 0.00 C ATOM 1270 CD PRO A 82 5.084 6.805 -1.195 1.00 0.00 C ATOM 0 HA PRO A 82 3.827 5.541 1.378 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.194 6.930 1.929 1.00 0.00 H new ATOM 0 HB3 PRO A 82 6.128 5.359 1.156 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.474 8.078 -0.115 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.159 6.542 -0.609 1.00 0.00 H new ATOM 0 HD2 PRO A 82 5.009 7.628 -1.906 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.220 5.893 -1.776 1.00 0.00 H new ATOM 1278 N LEU A 83 3.587 8.765 1.514 1.00 0.00 N ATOM 1279 CA LEU A 83 3.046 9.910 2.239 1.00 0.00 C ATOM 1280 C LEU A 83 1.601 9.581 2.657 1.00 0.00 C ATOM 1281 O LEU A 83 1.216 9.809 3.800 1.00 0.00 O ATOM 1282 CB LEU A 83 3.080 11.145 1.309 1.00 0.00 C ATOM 1283 CG LEU A 83 4.369 11.986 1.215 1.00 0.00 C ATOM 1284 CD1 LEU A 83 4.491 12.932 2.416 1.00 0.00 C ATOM 1285 CD2 LEU A 83 5.645 11.147 1.113 1.00 0.00 C ATOM 0 H LEU A 83 3.892 9.007 0.571 1.00 0.00 H new ATOM 0 HA LEU A 83 3.635 10.125 3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.838 10.803 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.276 11.812 1.621 1.00 0.00 H new ATOM 0 HG LEU A 83 4.277 12.554 0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.408 13.515 2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.634 13.605 2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.518 12.349 3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.510 11.807 1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.735 10.513 1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.600 10.523 0.221 1.00 0.00 H new ATOM 1297 N LEU A 84 0.799 9.057 1.720 1.00 0.00 N ATOM 1298 CA LEU A 84 -0.595 8.663 1.921 1.00 0.00 C ATOM 1299 C LEU A 84 -0.678 7.394 2.772 1.00 0.00 C ATOM 1300 O LEU A 84 -1.459 7.349 3.717 1.00 0.00 O ATOM 1301 CB LEU A 84 -1.272 8.545 0.538 1.00 0.00 C ATOM 1302 CG LEU A 84 -2.665 7.903 0.405 1.00 0.00 C ATOM 1303 CD1 LEU A 84 -2.584 6.380 0.515 1.00 0.00 C ATOM 1304 CD2 LEU A 84 -3.718 8.517 1.334 1.00 0.00 C ATOM 0 H LEU A 84 1.119 8.891 0.766 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.141 9.418 2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.340 9.552 0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.595 7.983 -0.105 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.020 8.137 -0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.583 5.955 0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.945 5.991 -0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.166 6.107 1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.673 8.014 1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.403 8.396 2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.827 9.578 1.109 1.00 0.00 H new ATOM 1316 N ILE A 85 0.124 6.368 2.476 1.00 0.00 N ATOM 1317 CA ILE A 85 0.139 5.113 3.227 1.00 0.00 C ATOM 1318 C ILE A 85 0.345 5.388 4.719 1.00 0.00 C ATOM 1319 O ILE A 85 -0.353 4.807 5.550 1.00 0.00 O ATOM 1320 CB ILE A 85 1.238 4.186 2.653 1.00 0.00 C ATOM 1321 CG1 ILE A 85 0.923 3.665 1.234 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.563 2.999 3.570 1.00 0.00 C ATOM 1323 CD1 ILE A 85 -0.410 2.935 1.094 1.00 0.00 C ATOM 0 H ILE A 85 0.787 6.387 1.701 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.821 4.608 3.123 1.00 0.00 H new ATOM 0 HB ILE A 85 2.117 4.827 2.591 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.932 4.508 0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.723 2.992 0.925 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.340 2.387 3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.913 3.369 4.534 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.667 2.397 3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.539 2.608 0.062 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.421 2.067 1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.223 3.608 1.366 1.00 0.00 H new ATOM 1335 N ASP A 86 1.280 6.279 5.066 1.00 0.00 N ATOM 1336 CA ASP A 86 1.554 6.597 6.460 1.00 0.00 C ATOM 1337 C ASP A 86 0.343 7.211 7.157 1.00 0.00 C ATOM 1338 O ASP A 86 0.194 7.040 8.367 1.00 0.00 O ATOM 1339 CB ASP A 86 2.781 7.505 6.596 1.00 0.00 C ATOM 1340 CG ASP A 86 3.249 7.525 8.052 1.00 0.00 C ATOM 1341 OD1 ASP A 86 3.687 6.461 8.553 1.00 0.00 O ATOM 1342 OD2 ASP A 86 3.183 8.578 8.723 1.00 0.00 O ATOM 0 H ASP A 86 1.856 6.789 4.397 1.00 0.00 H new ATOM 0 HA ASP A 86 1.774 5.654 6.961 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.583 7.147 5.951 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.536 8.515 6.269 1.00 0.00 H new ATOM 1347 N HIS A 87 -0.509 7.938 6.427 1.00 0.00 N ATOM 1348 CA HIS A 87 -1.703 8.552 6.990 1.00 0.00 C ATOM 1349 C HIS A 87 -2.734 7.468 7.321 1.00 0.00 C ATOM 1350 O HIS A 87 -3.364 7.526 8.369 1.00 0.00 O ATOM 1351 CB HIS A 87 -2.252 9.604 6.015 1.00 0.00 C ATOM 1352 CG HIS A 87 -3.531 10.266 6.455 1.00 0.00 C ATOM 1353 ND1 HIS A 87 -3.688 11.563 6.888 1.00 0.00 N ATOM 1354 CD2 HIS A 87 -4.777 9.709 6.389 1.00 0.00 C ATOM 1355 CE1 HIS A 87 -4.999 11.786 7.062 1.00 0.00 C ATOM 1356 NE2 HIS A 87 -5.704 10.686 6.758 1.00 0.00 N ATOM 0 H HIS A 87 -0.385 8.114 5.430 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.460 9.065 7.920 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.494 10.373 5.867 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.419 9.130 5.047 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -2.939 12.236 7.048 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -5.005 8.693 6.102 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.426 12.719 7.399 1.00 0.00 H new ATOM 1364 N LEU A 88 -2.921 6.464 6.458 1.00 0.00 N ATOM 1365 CA LEU A 88 -3.900 5.396 6.704 1.00 0.00 C ATOM 1366 C LEU A 88 -3.512 4.556 7.901 1.00 0.00 C ATOM 1367 O LEU A 88 -4.376 4.107 8.653 1.00 0.00 O ATOM 1368 CB LEU A 88 -4.030 4.459 5.496 1.00 0.00 C ATOM 1369 CG LEU A 88 -5.110 4.944 4.531 1.00 0.00 C ATOM 1370 CD1 LEU A 88 -4.662 6.251 3.886 1.00 0.00 C ATOM 1371 CD2 LEU A 88 -5.352 3.885 3.459 1.00 0.00 C ATOM 0 H LEU A 88 -2.408 6.367 5.582 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.851 5.895 6.890 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.074 4.399 4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.270 3.452 5.838 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.039 5.114 5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.431 6.599 3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.501 7.002 4.659 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.733 6.088 3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.123 4.233 2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.428 3.707 2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.678 2.958 3.930 1.00 0.00 H new ATOM 1383 N LEU A 89 -2.217 4.302 8.030 1.00 0.00 N ATOM 1384 CA LEU A 89 -1.636 3.532 9.107 1.00 0.00 C ATOM 1385 C LEU A 89 -1.810 4.309 10.421 1.00 0.00 C ATOM 1386 O LEU A 89 -2.213 3.709 11.417 1.00 0.00 O ATOM 1387 CB LEU A 89 -0.176 3.233 8.731 1.00 0.00 C ATOM 1388 CG LEU A 89 0.023 1.951 7.903 1.00 0.00 C ATOM 1389 CD1 LEU A 89 1.453 1.938 7.358 1.00 0.00 C ATOM 1390 CD2 LEU A 89 -0.184 0.651 8.680 1.00 0.00 C ATOM 0 H LEU A 89 -1.524 4.640 7.362 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.130 2.573 9.260 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.221 4.078 8.169 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.412 3.154 9.645 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.736 1.980 7.121 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.609 1.035 6.768 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.610 2.814 6.729 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.159 1.956 8.188 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.023 -0.199 8.017 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.524 0.605 9.507 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.201 0.619 9.071 1.00 0.00 H new ATOM 1402 N SER A 90 -1.600 5.632 10.438 1.00 0.00 N ATOM 1403 CA SER A 90 -1.766 6.411 11.660 1.00 0.00 C ATOM 1404 C SER A 90 -3.242 6.579 12.042 1.00 0.00 C ATOM 1405 O SER A 90 -3.620 6.261 13.172 1.00 0.00 O ATOM 1406 CB SER A 90 -1.029 7.751 11.551 1.00 0.00 C ATOM 1407 OG SER A 90 -1.490 8.576 10.503 1.00 0.00 O ATOM 0 H SER A 90 -1.317 6.177 9.623 1.00 0.00 H new ATOM 0 HA SER A 90 -1.310 5.854 12.478 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.131 8.288 12.494 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.034 7.559 11.407 1.00 0.00 H new ATOM 0 HG SER A 90 -2.056 8.052 9.899 1.00 0.00 H new ATOM 1413 N THR A 91 -4.101 7.041 11.127 1.00 0.00 N ATOM 1414 CA THR A 91 -5.516 7.242 11.438 1.00 0.00 C ATOM 1415 C THR A 91 -6.292 5.935 11.600 1.00 0.00 C ATOM 1416 O THR A 91 -7.334 5.921 12.260 1.00 0.00 O ATOM 1417 CB THR A 91 -6.208 8.132 10.392 1.00 0.00 C ATOM 1418 OG1 THR A 91 -6.413 7.492 9.153 1.00 0.00 O ATOM 1419 CG2 THR A 91 -5.507 9.475 10.179 1.00 0.00 C ATOM 0 H THR A 91 -3.841 7.281 10.170 1.00 0.00 H new ATOM 0 HA THR A 91 -5.528 7.749 12.403 1.00 0.00 H new ATOM 0 HB THR A 91 -7.188 8.331 10.826 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.552 7.371 8.701 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.047 10.052 9.429 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.487 10.028 11.118 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.486 9.303 9.838 1.00 0.00 H new ATOM 1427 N GLN A 92 -5.783 4.816 11.062 1.00 0.00 N ATOM 1428 CA GLN A 92 -6.443 3.511 11.100 1.00 0.00 C ATOM 1429 C GLN A 92 -7.835 3.635 10.462 1.00 0.00 C ATOM 1430 O GLN A 92 -8.783 2.982 10.898 1.00 0.00 O ATOM 1431 CB GLN A 92 -6.453 2.903 12.523 1.00 0.00 C ATOM 1432 CG GLN A 92 -5.078 2.432 13.013 1.00 0.00 C ATOM 1433 CD GLN A 92 -4.595 1.217 12.221 1.00 0.00 C ATOM 1434 OE1 GLN A 92 -4.967 0.082 12.512 1.00 0.00 O ATOM 1435 NE2 GLN A 92 -3.758 1.417 11.224 1.00 0.00 N ATOM 0 H GLN A 92 -4.884 4.797 10.580 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.873 2.794 10.509 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.841 3.645 13.221 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -7.142 2.058 12.541 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -4.357 3.243 12.915 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -5.133 2.180 14.072 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.457 2.364 10.993 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -3.411 0.625 10.683 1.00 0.00 H new ATOM 1444 N GLN A 93 -8.007 4.550 9.497 1.00 0.00 N ATOM 1445 CA GLN A 93 -9.296 4.720 8.840 1.00 0.00 C ATOM 1446 C GLN A 93 -9.516 3.521 7.916 1.00 0.00 C ATOM 1447 O GLN A 93 -8.571 3.125 7.218 1.00 0.00 O ATOM 1448 CB GLN A 93 -9.383 6.043 8.057 1.00 0.00 C ATOM 1449 CG GLN A 93 -8.385 6.210 6.896 1.00 0.00 C ATOM 1450 CD GLN A 93 -8.523 7.591 6.258 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -9.358 7.830 5.385 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -7.712 8.539 6.682 1.00 0.00 N ATOM 0 H GLN A 93 -7.273 5.174 9.162 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.079 4.767 9.597 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -10.393 6.140 7.658 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.236 6.866 8.757 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -7.368 6.074 7.262 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -8.560 5.439 6.146 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.023 8.335 7.405 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.774 9.477 6.287 1.00 0.00 H new ATOM 1461 N PRO A 94 -10.724 2.938 7.879 1.00 0.00 N ATOM 1462 CA PRO A 94 -10.982 1.821 7.004 1.00 0.00 C ATOM 1463 C PRO A 94 -11.108 2.350 5.569 1.00 0.00 C ATOM 1464 O PRO A 94 -11.839 3.308 5.302 1.00 0.00 O ATOM 1465 CB PRO A 94 -12.264 1.169 7.520 1.00 0.00 C ATOM 1466 CG PRO A 94 -13.015 2.339 8.145 1.00 0.00 C ATOM 1467 CD PRO A 94 -11.914 3.280 8.644 1.00 0.00 C ATOM 0 HA PRO A 94 -10.185 1.077 6.994 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.835 0.707 6.714 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -12.054 0.388 8.250 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.658 2.832 7.416 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.655 2.008 8.963 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.191 4.323 8.490 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.743 3.150 9.713 1.00 0.00 H new ATOM 1475 N LEU A 95 -10.402 1.695 4.645 1.00 0.00 N ATOM 1476 CA LEU A 95 -10.347 1.987 3.211 1.00 0.00 C ATOM 1477 C LEU A 95 -11.747 2.147 2.623 1.00 0.00 C ATOM 1478 O LEU A 95 -11.981 2.999 1.754 1.00 0.00 O ATOM 1479 CB LEU A 95 -9.661 0.814 2.485 1.00 0.00 C ATOM 1480 CG LEU A 95 -8.128 0.775 2.615 1.00 0.00 C ATOM 1481 CD1 LEU A 95 -7.638 -0.640 2.302 1.00 0.00 C ATOM 1482 CD2 LEU A 95 -7.474 1.733 1.613 1.00 0.00 C ATOM 0 H LEU A 95 -9.817 0.897 4.894 1.00 0.00 H new ATOM 0 HA LEU A 95 -9.794 2.917 3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.067 -0.120 2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.920 0.860 1.427 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.860 1.070 3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.552 -0.677 2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -8.084 -1.343 3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.928 -0.909 1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.390 1.690 1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.749 1.442 0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.817 2.750 1.804 1.00 0.00 H new ATOM 1494 N THR A 96 -12.670 1.286 3.049 1.00 0.00 N ATOM 1495 CA THR A 96 -14.044 1.295 2.598 1.00 0.00 C ATOM 1496 C THR A 96 -14.933 0.877 3.762 1.00 0.00 C ATOM 1497 O THR A 96 -14.581 -0.032 4.510 1.00 0.00 O ATOM 1498 CB THR A 96 -14.222 0.339 1.392 1.00 0.00 C ATOM 1499 OG1 THR A 96 -14.049 -1.025 1.743 1.00 0.00 O ATOM 1500 CG2 THR A 96 -13.258 0.627 0.234 1.00 0.00 C ATOM 0 H THR A 96 -12.471 0.553 3.730 1.00 0.00 H new ATOM 0 HA THR A 96 -14.324 2.295 2.267 1.00 0.00 H new ATOM 0 HB THR A 96 -15.247 0.524 1.071 1.00 0.00 H new ATOM 0 HG1 THR A 96 -14.173 -1.585 0.949 1.00 0.00 H new ATOM 0 HG21 THR A 96 -13.440 -0.080 -0.575 1.00 0.00 H new ATOM 0 HG22 THR A 96 -13.418 1.642 -0.129 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.230 0.524 0.582 1.00 0.00 H new ATOM 1508 N LYS A 97 -16.068 1.549 3.945 1.00 0.00 N ATOM 1509 CA LYS A 97 -17.044 1.209 4.978 1.00 0.00 C ATOM 1510 C LYS A 97 -17.624 -0.140 4.563 1.00 0.00 C ATOM 1511 O LYS A 97 -17.817 -1.029 5.385 1.00 0.00 O ATOM 1512 CB LYS A 97 -18.105 2.319 5.056 1.00 0.00 C ATOM 1513 CG LYS A 97 -19.333 2.002 5.929 1.00 0.00 C ATOM 1514 CD LYS A 97 -20.358 1.083 5.246 1.00 0.00 C ATOM 1515 CE LYS A 97 -21.766 1.256 5.817 1.00 0.00 C ATOM 1516 NZ LYS A 97 -21.905 0.648 7.156 1.00 0.00 N ATOM 0 H LYS A 97 -16.338 2.351 3.376 1.00 0.00 H new ATOM 0 HA LYS A 97 -16.612 1.133 5.976 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -17.632 3.223 5.439 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -18.447 2.542 4.045 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -18.998 1.533 6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -19.823 2.936 6.204 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -20.374 1.293 4.176 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -20.046 0.045 5.363 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -22.004 2.318 5.876 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -22.489 0.804 5.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -22.875 0.790 7.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -21.704 -0.371 7.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -21.234 1.096 7.812 1.00 0.00 H new ATOM 1530 N LYS A 98 -17.857 -0.296 3.253 1.00 0.00 N ATOM 1531 CA LYS A 98 -18.401 -1.473 2.592 1.00 0.00 C ATOM 1532 C LYS A 98 -17.803 -2.778 3.113 1.00 0.00 C ATOM 1533 O LYS A 98 -18.557 -3.731 3.289 1.00 0.00 O ATOM 1534 CB LYS A 98 -18.148 -1.311 1.080 1.00 0.00 C ATOM 1535 CG LYS A 98 -18.820 -2.365 0.182 1.00 0.00 C ATOM 1536 CD LYS A 98 -20.347 -2.231 0.134 1.00 0.00 C ATOM 1537 CE LYS A 98 -20.779 -0.995 -0.666 1.00 0.00 C ATOM 1538 NZ LYS A 98 -22.138 -0.558 -0.292 1.00 0.00 N ATOM 0 H LYS A 98 -17.654 0.451 2.589 1.00 0.00 H new ATOM 0 HA LYS A 98 -19.468 -1.541 2.805 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -18.495 -0.324 0.775 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -17.073 -1.340 0.903 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -18.422 -2.279 -0.829 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -18.560 -3.360 0.543 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -20.778 -3.126 -0.316 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -20.739 -2.164 1.149 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -20.073 -0.183 -0.492 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -20.749 -1.221 -1.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -22.400 0.279 -0.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -22.814 -1.326 -0.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -22.160 -0.319 0.720 1.00 0.00 H new ATOM 1552 N SER A 99 -16.487 -2.821 3.321 1.00 0.00 N ATOM 1553 CA SER A 99 -15.772 -3.990 3.802 1.00 0.00 C ATOM 1554 C SER A 99 -15.264 -3.743 5.227 1.00 0.00 C ATOM 1555 O SER A 99 -15.513 -4.555 6.115 1.00 0.00 O ATOM 1556 CB SER A 99 -14.673 -4.281 2.773 1.00 0.00 C ATOM 1557 OG SER A 99 -14.061 -5.536 2.949 1.00 0.00 O ATOM 0 H SER A 99 -15.878 -2.020 3.153 1.00 0.00 H new ATOM 0 HA SER A 99 -16.405 -4.874 3.885 1.00 0.00 H new ATOM 0 HB2 SER A 99 -15.101 -4.231 1.772 1.00 0.00 H new ATOM 0 HB3 SER A 99 -13.913 -3.502 2.834 1.00 0.00 H new ATOM 0 HG SER A 99 -13.372 -5.663 2.263 1.00 0.00 H new ATOM 1563 N GLY A 100 -14.591 -2.619 5.481 1.00 0.00 N ATOM 1564 CA GLY A 100 -14.045 -2.251 6.785 1.00 0.00 C ATOM 1565 C GLY A 100 -12.537 -2.489 6.895 1.00 0.00 C ATOM 1566 O GLY A 100 -11.996 -2.381 7.990 1.00 0.00 O ATOM 0 H GLY A 100 -14.406 -1.920 4.762 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.255 -1.199 6.976 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.554 -2.824 7.560 1.00 0.00 H new ATOM 1570 N VAL A 101 -11.855 -2.798 5.789 1.00 0.00 N ATOM 1571 CA VAL A 101 -10.420 -3.072 5.743 1.00 0.00 C ATOM 1572 C VAL A 101 -9.570 -1.901 6.230 1.00 0.00 C ATOM 1573 O VAL A 101 -9.779 -0.777 5.780 1.00 0.00 O ATOM 1574 CB VAL A 101 -10.026 -3.424 4.298 1.00 0.00 C ATOM 1575 CG1 VAL A 101 -8.553 -3.820 4.177 1.00 0.00 C ATOM 1576 CG2 VAL A 101 -10.907 -4.541 3.719 1.00 0.00 C ATOM 0 H VAL A 101 -12.301 -2.866 4.874 1.00 0.00 H new ATOM 0 HA VAL A 101 -10.226 -3.905 6.419 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.186 -2.515 3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -8.325 -4.059 3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.925 -2.991 4.505 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.358 -4.692 4.801 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.595 -4.758 2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.804 -5.439 4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -11.949 -4.220 3.719 1.00 0.00 H new ATOM 1586 N VAL A 102 -8.575 -2.170 7.074 1.00 0.00 N ATOM 1587 CA VAL A 102 -7.632 -1.208 7.639 1.00 0.00 C ATOM 1588 C VAL A 102 -6.225 -1.753 7.352 1.00 0.00 C ATOM 1589 O VAL A 102 -6.056 -2.960 7.165 1.00 0.00 O ATOM 1590 CB VAL A 102 -7.873 -1.059 9.161 1.00 0.00 C ATOM 1591 CG1 VAL A 102 -7.090 0.108 9.777 1.00 0.00 C ATOM 1592 CG2 VAL A 102 -9.346 -0.833 9.524 1.00 0.00 C ATOM 0 H VAL A 102 -8.396 -3.120 7.400 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.756 -0.219 7.198 1.00 0.00 H new ATOM 0 HB VAL A 102 -7.528 -2.011 9.565 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.299 0.163 10.845 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.022 -0.049 9.624 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -7.392 1.041 9.300 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -9.444 -0.737 10.605 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.703 0.079 9.045 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.940 -1.680 9.180 1.00 0.00 H new ATOM 1602 N LEU A 103 -5.222 -0.882 7.247 1.00 0.00 N ATOM 1603 CA LEU A 103 -3.834 -1.277 7.012 1.00 0.00 C ATOM 1604 C LEU A 103 -3.213 -1.389 8.398 1.00 0.00 C ATOM 1605 O LEU A 103 -3.367 -0.465 9.194 1.00 0.00 O ATOM 1606 CB LEU A 103 -3.049 -0.206 6.229 1.00 0.00 C ATOM 1607 CG LEU A 103 -3.327 -0.127 4.719 1.00 0.00 C ATOM 1608 CD1 LEU A 103 -4.793 0.183 4.405 1.00 0.00 C ATOM 1609 CD2 LEU A 103 -2.450 0.972 4.108 1.00 0.00 C ATOM 0 H LEU A 103 -5.351 0.127 7.323 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.801 -2.198 6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.267 0.767 6.668 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.984 -0.389 6.372 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.097 -1.104 4.293 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.932 0.227 3.325 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.428 -0.600 4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.064 1.142 4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.640 1.036 3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.686 1.928 4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.400 0.735 4.277 1.00 0.00 H new ATOM 1621 N HIS A 104 -2.497 -2.472 8.700 1.00 0.00 N ATOM 1622 CA HIS A 104 -1.863 -2.643 10.009 1.00 0.00 C ATOM 1623 C HIS A 104 -0.348 -2.692 9.891 1.00 0.00 C ATOM 1624 O HIS A 104 0.326 -2.140 10.758 1.00 0.00 O ATOM 1625 CB HIS A 104 -2.415 -3.857 10.755 1.00 0.00 C ATOM 1626 CG HIS A 104 -3.832 -3.663 11.229 1.00 0.00 C ATOM 1627 ND1 HIS A 104 -4.239 -3.560 12.539 1.00 0.00 N ATOM 1628 CD2 HIS A 104 -4.948 -3.551 10.447 1.00 0.00 C ATOM 1629 CE1 HIS A 104 -5.566 -3.385 12.548 1.00 0.00 C ATOM 1630 NE2 HIS A 104 -6.050 -3.408 11.297 1.00 0.00 N ATOM 0 H HIS A 104 -2.341 -3.246 8.055 1.00 0.00 H new ATOM 0 HA HIS A 104 -2.113 -1.766 10.606 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -2.373 -4.728 10.101 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.777 -4.070 11.613 1.00 0.00 H new ATOM 0 HD1 HIS A 104 -3.635 -3.608 13.360 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -4.974 -3.570 9.367 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -6.163 -3.245 13.437 1.00 0.00 H new ATOM 1638 N ARG A 105 0.202 -3.332 8.855 1.00 0.00 N ATOM 1639 CA ARG A 105 1.647 -3.414 8.644 1.00 0.00 C ATOM 1640 C ARG A 105 1.888 -3.925 7.237 1.00 0.00 C ATOM 1641 O ARG A 105 1.125 -4.765 6.756 1.00 0.00 O ATOM 1642 CB ARG A 105 2.325 -4.333 9.677 1.00 0.00 C ATOM 1643 CG ARG A 105 3.849 -4.202 9.586 1.00 0.00 C ATOM 1644 CD ARG A 105 4.558 -4.835 10.784 1.00 0.00 C ATOM 1645 NE ARG A 105 6.018 -4.830 10.605 1.00 0.00 N ATOM 1646 CZ ARG A 105 6.818 -3.758 10.646 1.00 0.00 C ATOM 1647 NH1 ARG A 105 6.357 -2.572 11.032 1.00 0.00 N ATOM 1648 NH2 ARG A 105 8.089 -3.878 10.284 1.00 0.00 N ATOM 0 H ARG A 105 -0.345 -3.808 8.138 1.00 0.00 H new ATOM 0 HA ARG A 105 2.085 -2.424 8.771 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.990 -4.072 10.681 1.00 0.00 H new ATOM 0 HB3 ARG A 105 2.031 -5.368 9.502 1.00 0.00 H new ATOM 0 HG2 ARG A 105 4.198 -4.675 8.668 1.00 0.00 H new ATOM 0 HG3 ARG A 105 4.118 -3.148 9.523 1.00 0.00 H new ATOM 0 HD2 ARG A 105 4.299 -4.290 11.692 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.209 -5.859 10.916 1.00 0.00 H new ATOM 0 HE ARG A 105 6.464 -5.731 10.433 1.00 0.00 H new ATOM 0 HH11 ARG A 105 5.379 -2.469 11.303 1.00 0.00 H new ATOM 0 HH12 ARG A 105 6.981 -1.766 11.057 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.449 -4.782 9.978 1.00 0.00 H new ATOM 0 HH22 ARG A 105 8.706 -3.066 10.312 1.00 0.00 H new ATOM 1662 N ALA A 106 2.910 -3.400 6.573 1.00 0.00 N ATOM 1663 CA ALA A 106 3.252 -3.806 5.229 1.00 0.00 C ATOM 1664 C ALA A 106 4.037 -5.114 5.242 1.00 0.00 C ATOM 1665 O ALA A 106 4.394 -5.633 6.304 1.00 0.00 O ATOM 1666 CB ALA A 106 4.002 -2.676 4.525 1.00 0.00 C ATOM 0 H ALA A 106 3.522 -2.680 6.958 1.00 0.00 H new ATOM 0 HA ALA A 106 2.341 -3.999 4.663 1.00 0.00 H new ATOM 0 HB1 ALA A 106 4.258 -2.985 3.512 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.369 -1.789 4.484 1.00 0.00 H new ATOM 0 HB3 ALA A 106 4.914 -2.446 5.076 1.00 0.00 H new ATOM 1672 N VAL A 107 4.334 -5.636 4.053 1.00 0.00 N ATOM 1673 CA VAL A 107 5.057 -6.884 3.885 1.00 0.00 C ATOM 1674 C VAL A 107 6.347 -6.553 3.104 1.00 0.00 C ATOM 1675 O VAL A 107 6.251 -5.968 2.025 1.00 0.00 O ATOM 1676 CB VAL A 107 4.093 -7.924 3.262 1.00 0.00 C ATOM 1677 CG1 VAL A 107 2.933 -8.284 4.207 1.00 0.00 C ATOM 1678 CG2 VAL A 107 3.485 -7.522 1.916 1.00 0.00 C ATOM 0 H VAL A 107 4.073 -5.194 3.171 1.00 0.00 H new ATOM 0 HA VAL A 107 5.390 -7.354 4.811 1.00 0.00 H new ATOM 0 HB VAL A 107 4.742 -8.784 3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.285 -9.016 3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.333 -8.705 5.130 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.359 -7.386 4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.826 -8.315 1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 107 2.914 -6.601 2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.282 -7.363 1.190 1.00 0.00 H new ATOM 1688 N PRO A 108 7.555 -6.816 3.643 1.00 0.00 N ATOM 1689 CA PRO A 108 8.820 -6.520 2.976 1.00 0.00 C ATOM 1690 C PRO A 108 9.144 -7.524 1.859 1.00 0.00 C ATOM 1691 O PRO A 108 9.200 -8.731 2.098 1.00 0.00 O ATOM 1692 CB PRO A 108 9.873 -6.584 4.083 1.00 0.00 C ATOM 1693 CG PRO A 108 9.310 -7.620 5.057 1.00 0.00 C ATOM 1694 CD PRO A 108 7.798 -7.476 4.915 1.00 0.00 C ATOM 0 HA PRO A 108 8.784 -5.548 2.485 1.00 0.00 H new ATOM 0 HB2 PRO A 108 10.845 -6.886 3.694 1.00 0.00 H new ATOM 0 HB3 PRO A 108 10.009 -5.615 4.563 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.641 -8.627 4.804 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.635 -7.425 6.079 1.00 0.00 H new ATOM 0 HD2 PRO A 108 7.313 -8.452 4.943 1.00 0.00 H new ATOM 0 HD3 PRO A 108 7.387 -6.892 5.738 1.00 0.00 H new ATOM 1702 N SER A 109 9.472 -7.015 0.671 1.00 0.00 N ATOM 1703 CA SER A 109 9.804 -7.793 -0.519 1.00 0.00 C ATOM 1704 C SER A 109 10.983 -8.735 -0.298 1.00 0.00 C ATOM 1705 O SER A 109 10.845 -9.930 -0.558 1.00 0.00 O ATOM 1706 CB SER A 109 10.029 -6.841 -1.706 1.00 0.00 C ATOM 1707 OG SER A 109 10.084 -7.539 -2.938 1.00 0.00 O ATOM 0 H SER A 109 9.515 -6.009 0.507 1.00 0.00 H new ATOM 0 HA SER A 109 8.961 -8.444 -0.748 1.00 0.00 H new ATOM 0 HB2 SER A 109 9.224 -6.106 -1.740 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.958 -6.290 -1.559 1.00 0.00 H new ATOM 0 HG SER A 109 9.185 -7.842 -3.182 1.00 0.00 H new