USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 908 hydrogens (13 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 NoAdj-H: A 118 ALY H2 : A 118 ALY N : A 117 ALA C :(H bumps) USER MOD Set 1.1: A 116 ASN : amide:sc= -6.09! C(o=-11!,f=-9.2!) USER MOD Set 1.2: A 119 HIS : no HE2:sc= -5.2! C(o=-11!,f=-14!) USER MOD Set 2.1: A 14 GLN : amide:sc= -0.0475 K(o=0.27,f=-0.6) USER MOD Set 2.2: A 26 LYS NZ :NH3+ -141:sc= 0.316 (180deg=-0.54) USER MOD Set 3.1: A 5 TYR OH : rot 0:sc= -0.58! USER MOD Set 3.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -3.23 K(o=-3.2,f=-7.4!) USER MOD Single : A 8 TYR OH : rot -98:sc= 0.616 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0645 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 63:sc= 1.07 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 160:sc= -7.88! (180deg=-9.85!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.187 K(o=-0.19,f=0.94) USER MOD Single : A 73 SER OG : rot -28:sc= 1.03 USER MOD Single : A 76 LYS NZ :NH3+ -127:sc= -3.36! (180deg=-6.61!) USER MOD Single : A 82 MET CE :methyl -174:sc= -3.41 (180deg=-3.81) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -1.7 X(o=-1.7,f=-1.4!) USER MOD Single : A 86 GLN : amide:sc= -0.173 K(o=-0.17,f=-0.93) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -140:sc= -0.0063 (180deg=-0.108) USER MOD Single : A 101 THR OG1 : rot -104:sc= 0.257 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 11:sc= 1.08 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= -1.02 K(o=-1,f=-0.015) USER MOD Single : A 125 ASN : amide:sc= -0.318 X(o=-0.32,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -19.765 -14.604 12.698 1.00 3.92 N ATOM 2 CA PRO A 1 -18.376 -15.043 13.008 1.00 3.44 C ATOM 3 C PRO A 1 -17.479 -13.830 13.272 1.00 3.50 C ATOM 4 O PRO A 1 -16.724 -13.407 12.420 1.00 4.94 O ATOM 5 CB PRO A 1 -17.936 -15.780 11.747 1.00 2.00 C ATOM 6 CG PRO A 1 -18.776 -15.205 10.655 1.00 4.99 C ATOM 7 CD PRO A 1 -20.085 -14.797 11.280 1.00 3.38 C ATOM 0 H2 PRO A 1 -19.875 -13.620 12.942 1.00 3.92 H new ATOM 0 H3 PRO A 1 -20.425 -15.129 13.272 1.00 3.92 H new ATOM 0 HA PRO A 1 -18.316 -15.667 13.900 1.00 3.44 H new ATOM 0 HB2 PRO A 1 -16.875 -15.629 11.551 1.00 2.00 H new ATOM 0 HB3 PRO A 1 -18.093 -16.855 11.842 1.00 2.00 H new ATOM 0 HG2 PRO A 1 -18.282 -14.347 10.198 1.00 4.99 H new ATOM 0 HG3 PRO A 1 -18.937 -15.938 9.865 1.00 4.99 H new ATOM 0 HD2 PRO A 1 -20.472 -13.882 10.831 1.00 3.38 H new ATOM 0 HD3 PRO A 1 -20.847 -15.565 11.145 1.00 3.38 H new ATOM 17 N THR A 2 -17.560 -13.269 14.448 1.00 3.08 N ATOM 18 CA THR A 2 -16.715 -12.082 14.768 1.00 2.08 C ATOM 19 C THR A 2 -15.462 -12.512 15.537 1.00 2.52 C ATOM 20 O THR A 2 -15.542 -13.159 16.562 1.00 2.28 O ATOM 21 CB THR A 2 -17.601 -11.193 15.643 1.00 3.47 C ATOM 22 OG1 THR A 2 -18.929 -11.207 15.138 1.00 3.73 O ATOM 23 CG2 THR A 2 -17.064 -9.762 15.632 1.00 3.09 C ATOM 0 H THR A 2 -18.174 -13.581 15.201 1.00 3.08 H new ATOM 0 HA THR A 2 -16.373 -11.565 13.871 1.00 2.08 H new ATOM 0 HB THR A 2 -17.596 -11.571 16.665 1.00 3.47 H new ATOM 0 HG1 THR A 2 -19.498 -10.639 15.699 1.00 3.73 H new ATOM 0 HG21 THR A 2 -17.697 -9.131 16.256 1.00 3.09 H new ATOM 0 HG22 THR A 2 -16.046 -9.752 16.021 1.00 3.09 H new ATOM 0 HG23 THR A 2 -17.066 -9.381 14.611 1.00 3.09 H new ATOM 31 N VAL A 3 -14.305 -12.154 15.049 1.00 10.00 N ATOM 32 CA VAL A 3 -13.046 -12.538 15.751 1.00 10.00 C ATOM 33 C VAL A 3 -12.153 -11.308 15.934 1.00 10.00 C ATOM 34 O VAL A 3 -11.568 -10.810 14.995 1.00 10.00 O ATOM 35 CB VAL A 3 -12.374 -13.557 14.829 1.00 10.00 C ATOM 36 CG1 VAL A 3 -11.010 -13.944 15.407 1.00 10.00 C ATOM 37 CG2 VAL A 3 -13.252 -14.804 14.719 1.00 10.00 C ATOM 0 H VAL A 3 -14.177 -11.612 14.194 1.00 10.00 H new ATOM 0 HA VAL A 3 -13.232 -12.949 16.743 1.00 10.00 H new ATOM 0 HB VAL A 3 -12.240 -13.119 13.840 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -10.530 -14.670 14.751 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -10.383 -13.056 15.486 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -11.145 -14.382 16.396 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -12.773 -15.530 14.062 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -13.386 -15.243 15.708 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -14.224 -14.530 14.309 1.00 10.00 H new ATOM 47 N GLU A 4 -12.046 -10.813 17.136 1.00 10.00 N ATOM 48 CA GLU A 4 -11.193 -9.611 17.374 1.00 10.00 C ATOM 49 C GLU A 4 -9.719 -10.014 17.471 1.00 10.00 C ATOM 50 O GLU A 4 -9.309 -10.686 18.395 1.00 10.00 O ATOM 51 CB GLU A 4 -11.681 -9.042 18.708 1.00 50.00 C ATOM 52 CG GLU A 4 -11.545 -7.519 18.692 1.00 50.00 C ATOM 53 CD GLU A 4 -12.505 -6.913 19.718 1.00 50.00 C ATOM 54 OE1 GLU A 4 -13.273 -7.663 20.299 1.00 50.00 O ATOM 55 OE2 GLU A 4 -12.456 -5.708 19.906 1.00 50.00 O ATOM 0 H GLU A 4 -12.511 -11.187 17.963 1.00 10.00 H new ATOM 0 HA GLU A 4 -11.269 -8.885 16.565 1.00 10.00 H new ATOM 0 HB2 GLU A 4 -12.720 -9.323 18.877 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -11.099 -9.461 19.529 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -10.519 -7.232 18.923 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -11.767 -7.133 17.697 1.00 50.00 H new ATOM 62 N TYR A 5 -8.916 -9.606 16.525 1.00 10.00 N ATOM 63 CA TYR A 5 -7.470 -9.969 16.571 1.00 10.00 C ATOM 64 C TYR A 5 -6.697 -8.971 17.440 1.00 10.00 C ATOM 65 O TYR A 5 -6.972 -7.787 17.438 1.00 10.00 O ATOM 66 CB TYR A 5 -6.995 -9.899 15.119 1.00 10.00 C ATOM 67 CG TYR A 5 -7.153 -8.491 14.599 1.00 10.00 C ATOM 68 CD1 TYR A 5 -6.200 -7.517 14.916 1.00 10.00 C ATOM 69 CD2 TYR A 5 -8.251 -8.161 13.794 1.00 10.00 C ATOM 70 CE1 TYR A 5 -6.343 -6.212 14.431 1.00 50.00 C ATOM 71 CE2 TYR A 5 -8.393 -6.856 13.306 1.00 50.00 C ATOM 72 CZ TYR A 5 -7.440 -5.882 13.625 1.00 50.00 C ATOM 73 OH TYR A 5 -7.579 -4.596 13.143 1.00 50.00 O ATOM 0 H TYR A 5 -9.197 -9.039 15.725 1.00 10.00 H new ATOM 0 HA TYR A 5 -7.308 -10.956 17.005 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -5.951 -10.206 15.053 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -7.571 -10.591 14.504 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -5.353 -7.772 15.536 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -8.987 -8.912 13.550 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -5.608 -5.460 14.678 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -9.238 -6.601 12.683 1.00 50.00 H new ATOM 0 HH TYR A 5 -6.829 -4.047 13.454 1.00 50.00 H new ATOM 83 N LEU A 6 -5.733 -9.443 18.186 1.00 10.00 N ATOM 84 CA LEU A 6 -4.945 -8.524 19.060 1.00 10.00 C ATOM 85 C LEU A 6 -3.442 -8.735 18.843 1.00 10.00 C ATOM 86 O LEU A 6 -2.962 -9.849 18.788 1.00 10.00 O ATOM 87 CB LEU A 6 -5.335 -8.909 20.488 1.00 12.50 C ATOM 88 CG LEU A 6 -5.939 -7.697 21.201 1.00 12.50 C ATOM 89 CD1 LEU A 6 -6.211 -8.053 22.663 1.00 50.00 C ATOM 90 CD2 LEU A 6 -4.959 -6.525 21.136 1.00 50.00 C ATOM 0 H LEU A 6 -5.457 -10.424 18.228 1.00 10.00 H new ATOM 0 HA LEU A 6 -5.151 -7.476 18.844 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -6.053 -9.729 20.471 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -4.459 -9.264 21.031 1.00 12.50 H new ATOM 0 HG LEU A 6 -6.873 -7.416 20.714 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -6.641 -7.191 23.173 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -6.909 -8.889 22.710 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -5.277 -8.333 23.149 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -5.390 -5.662 21.644 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -4.025 -6.804 21.624 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -4.763 -6.272 20.094 1.00 50.00 H new ATOM 102 N ASN A 7 -2.695 -7.675 18.723 1.00 10.00 N ATOM 103 CA ASN A 7 -1.226 -7.819 18.516 1.00 10.00 C ATOM 104 C ASN A 7 -0.560 -8.359 19.781 1.00 10.00 C ATOM 105 O ASN A 7 -0.610 -7.748 20.830 1.00 10.00 O ATOM 106 CB ASN A 7 -0.737 -6.406 18.222 1.00 10.00 C ATOM 107 CG ASN A 7 0.785 -6.407 18.104 1.00 10.00 C ATOM 108 OD1 ASN A 7 1.389 -7.436 17.876 1.00 12.50 O ATOM 109 ND2 ASN A 7 1.436 -5.288 18.252 1.00 12.50 N ATOM 0 H ASN A 7 -3.037 -6.715 18.759 1.00 10.00 H new ATOM 0 HA ASN A 7 -0.988 -8.516 17.712 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -1.184 -6.040 17.297 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -1.050 -5.729 19.017 1.00 10.00 H new ATOM 0 HD21 ASN A 7 2.453 -5.276 18.176 1.00 12.50 H new ATOM 0 HD22 ASN A 7 0.928 -4.424 18.443 1.00 12.50 H new ATOM 116 N TYR A 8 0.072 -9.496 19.691 1.00 50.00 N ATOM 117 CA TYR A 8 0.748 -10.063 20.891 1.00 50.00 C ATOM 118 C TYR A 8 1.703 -9.026 21.480 1.00 50.00 C ATOM 119 O TYR A 8 1.954 -8.996 22.668 1.00 50.00 O ATOM 120 CB TYR A 8 1.522 -11.278 20.379 1.00 50.00 C ATOM 121 CG TYR A 8 2.506 -11.726 21.432 1.00 50.00 C ATOM 122 CD1 TYR A 8 2.045 -12.332 22.607 1.00 50.00 C ATOM 123 CD2 TYR A 8 3.878 -11.535 21.234 1.00 50.00 C ATOM 124 CE1 TYR A 8 2.957 -12.746 23.585 1.00 50.00 C ATOM 125 CE2 TYR A 8 4.790 -11.950 22.212 1.00 50.00 C ATOM 126 CZ TYR A 8 4.330 -12.555 23.387 1.00 50.00 C ATOM 127 OH TYR A 8 5.229 -12.964 24.351 1.00 50.00 O ATOM 0 H TYR A 8 0.150 -10.055 18.842 1.00 50.00 H new ATOM 0 HA TYR A 8 0.044 -10.338 21.676 1.00 50.00 H new ATOM 0 HB2 TYR A 8 0.833 -12.088 20.141 1.00 50.00 H new ATOM 0 HB3 TYR A 8 2.048 -11.026 19.458 1.00 50.00 H new ATOM 0 HD1 TYR A 8 0.986 -12.480 22.759 1.00 50.00 H new ATOM 0 HD2 TYR A 8 4.233 -11.068 20.327 1.00 50.00 H new ATOM 0 HE1 TYR A 8 2.602 -13.213 24.492 1.00 50.00 H new ATOM 0 HE2 TYR A 8 5.849 -11.803 22.059 1.00 50.00 H new ATOM 0 HH TYR A 8 5.482 -12.199 24.908 1.00 50.00 H new ATOM 137 N GLU A 9 2.232 -8.166 20.652 1.00 25.00 N ATOM 138 CA GLU A 9 3.167 -7.121 21.158 1.00 25.00 C ATOM 139 C GLU A 9 2.414 -6.149 22.068 1.00 25.00 C ATOM 140 O GLU A 9 2.966 -5.595 22.998 1.00 25.00 O ATOM 141 CB GLU A 9 3.675 -6.402 19.907 1.00 50.00 C ATOM 142 CG GLU A 9 5.205 -6.406 19.901 1.00 50.00 C ATOM 143 CD GLU A 9 5.717 -5.104 19.283 1.00 50.00 C ATOM 144 OE1 GLU A 9 4.920 -4.404 18.680 1.00 50.00 O ATOM 145 OE2 GLU A 9 6.898 -4.828 19.422 1.00 50.00 O ATOM 0 H GLU A 9 2.057 -8.142 19.647 1.00 25.00 H new ATOM 0 HA GLU A 9 3.985 -7.541 21.742 1.00 25.00 H new ATOM 0 HB2 GLU A 9 3.296 -6.896 19.012 1.00 50.00 H new ATOM 0 HB3 GLU A 9 3.303 -5.377 19.888 1.00 50.00 H new ATOM 0 HG2 GLU A 9 5.583 -6.511 20.918 1.00 50.00 H new ATOM 0 HG3 GLU A 9 5.575 -7.260 19.334 1.00 50.00 H new ATOM 152 N THR A 10 1.152 -5.943 21.806 1.00 50.00 N ATOM 153 CA THR A 10 0.354 -5.012 22.654 1.00 50.00 C ATOM 154 C THR A 10 0.207 -5.583 24.067 1.00 50.00 C ATOM 155 O THR A 10 0.281 -4.869 25.047 1.00 50.00 O ATOM 156 CB THR A 10 -1.007 -4.920 21.959 1.00 50.00 C ATOM 157 OG1 THR A 10 -0.905 -4.047 20.841 1.00 50.00 O ATOM 158 CG2 THR A 10 -2.053 -4.378 22.935 1.00 50.00 C ATOM 0 H THR A 10 0.639 -6.380 21.040 1.00 50.00 H new ATOM 0 HA THR A 10 0.823 -4.034 22.758 1.00 50.00 H new ATOM 0 HB THR A 10 -1.310 -5.912 21.625 1.00 50.00 H new ATOM 0 HG1 THR A 10 -1.774 -3.987 20.392 1.00 50.00 H new ATOM 0 HG21 THR A 10 -3.019 -4.315 22.435 1.00 50.00 H new ATOM 0 HG22 THR A 10 -2.131 -5.046 23.792 1.00 50.00 H new ATOM 0 HG23 THR A 10 -1.755 -3.386 23.274 1.00 50.00 H new ATOM 166 N LEU A 11 0.002 -6.868 24.182 1.00 50.00 N ATOM 167 CA LEU A 11 -0.146 -7.480 25.533 1.00 50.00 C ATOM 168 C LEU A 11 1.163 -7.353 26.317 1.00 50.00 C ATOM 169 O LEU A 11 1.167 -7.071 27.499 1.00 50.00 O ATOM 170 CB LEU A 11 -0.473 -8.951 25.273 1.00 50.00 C ATOM 171 CG LEU A 11 -0.363 -9.738 26.582 1.00 50.00 C ATOM 172 CD1 LEU A 11 -1.170 -9.030 27.672 1.00 50.00 C ATOM 173 CD2 LEU A 11 -0.913 -11.152 26.377 1.00 50.00 C ATOM 0 H LEU A 11 -0.069 -7.519 23.400 1.00 50.00 H new ATOM 0 HA LEU A 11 -0.920 -6.990 26.123 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -1.479 -9.044 24.864 1.00 50.00 H new ATOM 0 HB3 LEU A 11 0.212 -9.361 24.531 1.00 50.00 H new ATOM 0 HG LEU A 11 0.683 -9.796 26.883 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -1.092 -9.590 28.604 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -0.778 -8.024 27.819 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -2.216 -8.971 27.370 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -0.834 -11.712 27.309 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -1.959 -11.095 26.075 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -0.338 -11.657 25.601 1.00 50.00 H new ATOM 185 N ASP A 12 2.276 -7.559 25.667 1.00 50.00 N ATOM 186 CA ASP A 12 3.586 -7.450 26.373 1.00 50.00 C ATOM 187 C ASP A 12 3.963 -5.978 26.562 1.00 50.00 C ATOM 188 O ASP A 12 4.321 -5.555 27.643 1.00 50.00 O ATOM 189 CB ASP A 12 4.590 -8.148 25.455 1.00 50.00 C ATOM 190 CG ASP A 12 4.770 -9.600 25.906 1.00 50.00 C ATOM 191 OD1 ASP A 12 4.601 -9.858 27.086 1.00 50.00 O ATOM 192 OD2 ASP A 12 5.075 -10.427 25.063 1.00 50.00 O ATOM 0 H ASP A 12 2.336 -7.798 24.677 1.00 50.00 H new ATOM 0 HA ASP A 12 3.560 -7.901 27.365 1.00 50.00 H new ATOM 0 HB2 ASP A 12 4.238 -8.117 24.424 1.00 50.00 H new ATOM 0 HB3 ASP A 12 5.547 -7.626 25.481 1.00 50.00 H new ATOM 197 N ASP A 13 3.886 -5.195 25.521 1.00 50.00 N ATOM 198 CA ASP A 13 4.240 -3.753 25.648 1.00 50.00 C ATOM 199 C ASP A 13 3.461 -3.121 26.805 1.00 50.00 C ATOM 200 O ASP A 13 4.035 -2.644 27.764 1.00 50.00 O ATOM 201 CB ASP A 13 3.830 -3.122 24.318 1.00 50.00 C ATOM 202 CG ASP A 13 4.853 -3.488 23.241 1.00 50.00 C ATOM 203 OD1 ASP A 13 6.016 -3.635 23.581 1.00 50.00 O ATOM 204 OD2 ASP A 13 4.457 -3.617 22.094 1.00 50.00 O ATOM 0 H ASP A 13 3.594 -5.491 24.590 1.00 50.00 H new ATOM 0 HA ASP A 13 5.299 -3.605 25.857 1.00 50.00 H new ATOM 0 HB2 ASP A 13 2.840 -3.472 24.027 1.00 50.00 H new ATOM 0 HB3 ASP A 13 3.767 -2.039 24.422 1.00 50.00 H new ATOM 209 N GLN A 14 2.159 -3.116 26.722 1.00 50.00 N ATOM 210 CA GLN A 14 1.344 -2.518 27.817 1.00 50.00 C ATOM 211 C GLN A 14 1.582 -3.279 29.124 1.00 50.00 C ATOM 212 O GLN A 14 1.525 -2.720 30.201 1.00 50.00 O ATOM 213 CB GLN A 14 -0.107 -2.672 27.362 1.00 50.00 C ATOM 214 CG GLN A 14 -0.886 -1.401 27.706 1.00 50.00 C ATOM 215 CD GLN A 14 -1.051 -0.548 26.448 1.00 50.00 C ATOM 216 OE1 GLN A 14 -0.241 -0.612 25.544 1.00 50.00 O ATOM 217 NE2 GLN A 14 -2.075 0.256 26.350 1.00 50.00 N ATOM 0 H GLN A 14 1.624 -3.500 25.943 1.00 50.00 H new ATOM 0 HA GLN A 14 1.602 -1.475 28.004 1.00 50.00 H new ATOM 0 HB2 GLN A 14 -0.145 -2.856 26.288 1.00 50.00 H new ATOM 0 HB3 GLN A 14 -0.563 -3.534 27.849 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -1.863 -1.660 28.114 1.00 50.00 H new ATOM 0 HG3 GLN A 14 -0.359 -0.836 28.475 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -2.755 0.310 27.108 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -2.195 0.830 25.515 1.00 50.00 H new ATOM 226 N GLY A 15 1.853 -4.553 29.036 1.00 50.00 N ATOM 227 CA GLY A 15 2.097 -5.352 30.270 1.00 50.00 C ATOM 228 C GLY A 15 0.770 -5.594 30.994 1.00 50.00 C ATOM 229 O GLY A 15 0.631 -5.309 32.166 1.00 50.00 O ATOM 0 H GLY A 15 1.916 -5.075 28.162 1.00 50.00 H new ATOM 0 HA2 GLY A 15 2.562 -6.304 30.013 1.00 50.00 H new ATOM 0 HA3 GLY A 15 2.790 -4.825 30.926 1.00 50.00 H new ATOM 233 N TRP A 16 -0.206 -6.117 30.305 1.00 50.00 N ATOM 234 CA TRP A 16 -1.521 -6.378 30.957 1.00 50.00 C ATOM 235 C TRP A 16 -1.767 -7.882 31.068 1.00 50.00 C ATOM 236 O TRP A 16 -0.880 -8.686 30.855 1.00 50.00 O ATOM 237 CB TRP A 16 -2.558 -5.729 30.039 1.00 50.00 C ATOM 238 CG TRP A 16 -3.290 -4.667 30.793 1.00 50.00 C ATOM 239 CD1 TRP A 16 -3.699 -3.488 30.274 1.00 50.00 C ATOM 240 CD2 TRP A 16 -3.706 -4.665 32.190 1.00 50.00 C ATOM 241 NE1 TRP A 16 -4.339 -2.761 31.261 1.00 50.00 N ATOM 242 CE2 TRP A 16 -4.369 -3.444 32.461 1.00 50.00 C ATOM 243 CE3 TRP A 16 -3.573 -5.594 33.237 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -4.881 -3.156 33.726 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -4.089 -5.308 34.511 1.00 50.00 C ATOM 246 CH2 TRP A 16 -4.742 -4.090 34.755 1.00 50.00 C ATOM 0 H TRP A 16 -0.151 -6.375 29.320 1.00 50.00 H new ATOM 0 HA TRP A 16 -1.566 -5.975 31.969 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -2.068 -5.299 29.165 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -3.258 -6.480 29.674 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -3.550 -3.166 29.254 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -4.740 -1.834 31.120 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -3.071 -6.534 33.060 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -5.382 -2.217 33.909 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -3.983 -6.029 35.308 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -5.137 -3.875 35.737 1.00 50.00 H new ATOM 257 N ASP A 17 -2.965 -8.270 31.406 1.00 50.00 N ATOM 258 CA ASP A 17 -3.269 -9.724 31.534 1.00 50.00 C ATOM 259 C ASP A 17 -3.795 -10.278 30.208 1.00 50.00 C ATOM 260 O ASP A 17 -3.868 -9.577 29.217 1.00 50.00 O ATOM 261 CB ASP A 17 -4.345 -9.809 32.618 1.00 50.00 C ATOM 262 CG ASP A 17 -3.678 -9.887 33.992 1.00 50.00 C ATOM 263 OD1 ASP A 17 -2.854 -9.035 34.278 1.00 50.00 O ATOM 264 OD2 ASP A 17 -4.003 -10.799 34.735 1.00 50.00 O ATOM 0 H ASP A 17 -3.747 -7.644 31.599 1.00 50.00 H new ATOM 0 HA ASP A 17 -2.385 -10.309 31.789 1.00 50.00 H new ATOM 0 HB2 ASP A 17 -4.997 -8.937 32.567 1.00 50.00 H new ATOM 0 HB3 ASP A 17 -4.972 -10.686 32.456 1.00 50.00 H new ATOM 269 N MET A 18 -4.160 -11.530 30.180 1.00 50.00 N ATOM 270 CA MET A 18 -4.677 -12.131 28.916 1.00 50.00 C ATOM 271 C MET A 18 -6.121 -11.689 28.667 1.00 50.00 C ATOM 272 O MET A 18 -6.462 -11.218 27.600 1.00 50.00 O ATOM 273 CB MET A 18 -4.613 -13.641 29.139 1.00 50.00 C ATOM 274 CG MET A 18 -3.171 -14.123 28.975 1.00 50.00 C ATOM 275 SD MET A 18 -2.781 -15.313 30.281 1.00 50.00 S ATOM 276 CE MET A 18 -1.167 -15.826 29.647 1.00 50.00 C ATOM 0 H MET A 18 -4.123 -12.164 30.978 1.00 50.00 H new ATOM 0 HA MET A 18 -4.096 -11.821 28.047 1.00 50.00 H new ATOM 0 HB2 MET A 18 -4.978 -13.887 30.136 1.00 50.00 H new ATOM 0 HB3 MET A 18 -5.261 -14.152 28.427 1.00 50.00 H new ATOM 0 HG2 MET A 18 -3.040 -14.585 27.996 1.00 50.00 H new ATOM 0 HG3 MET A 18 -2.486 -13.277 29.023 1.00 50.00 H new ATOM 0 HE1 MET A 18 -0.735 -16.573 30.313 1.00 50.00 H new ATOM 0 HE2 MET A 18 -1.286 -16.253 28.651 1.00 50.00 H new ATOM 0 HE3 MET A 18 -0.505 -14.962 29.594 1.00 50.00 H new ATOM 286 N ASP A 19 -6.974 -11.843 29.643 1.00 50.00 N ATOM 287 CA ASP A 19 -8.397 -11.436 29.459 1.00 50.00 C ATOM 288 C ASP A 19 -8.933 -10.782 30.735 1.00 50.00 C ATOM 289 O ASP A 19 -10.111 -10.513 30.857 1.00 50.00 O ATOM 290 CB ASP A 19 -9.143 -12.738 29.169 1.00 50.00 C ATOM 291 CG ASP A 19 -8.701 -13.811 30.167 1.00 50.00 C ATOM 292 OD1 ASP A 19 -8.927 -13.620 31.351 1.00 50.00 O ATOM 293 OD2 ASP A 19 -8.145 -14.805 29.730 1.00 50.00 O ATOM 0 H ASP A 19 -6.748 -12.232 30.558 1.00 50.00 H new ATOM 0 HA ASP A 19 -8.518 -10.707 28.658 1.00 50.00 H new ATOM 0 HB2 ASP A 19 -10.219 -12.578 29.243 1.00 50.00 H new ATOM 0 HB3 ASP A 19 -8.939 -13.067 28.150 1.00 50.00 H new ATOM 298 N ASP A 20 -8.078 -10.525 31.686 1.00 50.00 N ATOM 299 CA ASP A 20 -8.542 -9.889 32.952 1.00 50.00 C ATOM 300 C ASP A 20 -8.954 -8.439 32.693 1.00 50.00 C ATOM 301 O ASP A 20 -10.080 -8.050 32.934 1.00 50.00 O ATOM 302 CB ASP A 20 -7.336 -9.947 33.889 1.00 50.00 C ATOM 303 CG ASP A 20 -7.807 -9.821 35.340 1.00 50.00 C ATOM 304 OD1 ASP A 20 -8.646 -8.974 35.597 1.00 50.00 O ATOM 305 OD2 ASP A 20 -7.322 -10.574 36.168 1.00 50.00 O ATOM 0 H ASP A 20 -7.079 -10.727 31.642 1.00 50.00 H new ATOM 0 HA ASP A 20 -9.410 -10.394 33.376 1.00 50.00 H new ATOM 0 HB2 ASP A 20 -6.800 -10.886 33.750 1.00 50.00 H new ATOM 0 HB3 ASP A 20 -6.639 -9.144 33.651 1.00 50.00 H new ATOM 310 N ASP A 21 -8.050 -7.635 32.204 1.00 50.00 N ATOM 311 CA ASP A 21 -8.388 -6.207 31.930 1.00 50.00 C ATOM 312 C ASP A 21 -9.141 -6.075 30.601 1.00 50.00 C ATOM 313 O ASP A 21 -9.318 -4.988 30.088 1.00 50.00 O ATOM 314 CB ASP A 21 -7.040 -5.488 31.855 1.00 50.00 C ATOM 315 CG ASP A 21 -7.216 -4.030 32.281 1.00 50.00 C ATOM 316 OD1 ASP A 21 -7.490 -3.804 33.450 1.00 50.00 O ATOM 317 OD2 ASP A 21 -7.073 -3.164 31.434 1.00 50.00 O ATOM 0 H ASP A 21 -7.092 -7.904 31.982 1.00 50.00 H new ATOM 0 HA ASP A 21 -9.036 -5.786 32.699 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -6.316 -5.982 32.502 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -6.646 -5.536 30.840 1.00 50.00 H new ATOM 322 N ASP A 22 -9.584 -7.165 30.037 1.00 50.00 N ATOM 323 CA ASP A 22 -10.319 -7.082 28.743 1.00 50.00 C ATOM 324 C ASP A 22 -9.525 -6.228 27.752 1.00 50.00 C ATOM 325 O ASP A 22 -10.034 -5.286 27.179 1.00 50.00 O ATOM 326 CB ASP A 22 -11.653 -6.418 29.084 1.00 50.00 C ATOM 327 CG ASP A 22 -12.498 -7.377 29.924 1.00 50.00 C ATOM 328 OD1 ASP A 22 -12.839 -8.433 29.417 1.00 50.00 O ATOM 329 OD2 ASP A 22 -12.789 -7.039 31.059 1.00 50.00 O ATOM 0 H ASP A 22 -9.470 -8.106 30.414 1.00 50.00 H new ATOM 0 HA ASP A 22 -10.464 -8.058 28.281 1.00 50.00 H new ATOM 0 HB2 ASP A 22 -11.481 -5.492 29.632 1.00 50.00 H new ATOM 0 HB3 ASP A 22 -12.184 -6.153 28.170 1.00 50.00 H new ATOM 334 N LEU A 23 -8.277 -6.552 27.559 1.00 50.00 N ATOM 335 CA LEU A 23 -7.424 -5.768 26.615 1.00 50.00 C ATOM 336 C LEU A 23 -8.218 -5.342 25.375 1.00 50.00 C ATOM 337 O LEU A 23 -8.140 -4.211 24.939 1.00 50.00 O ATOM 338 CB LEU A 23 -6.299 -6.724 26.218 1.00 50.00 C ATOM 339 CG LEU A 23 -5.161 -6.626 27.235 1.00 50.00 C ATOM 340 CD1 LEU A 23 -5.610 -7.240 28.562 1.00 50.00 C ATOM 341 CD2 LEU A 23 -3.942 -7.383 26.708 1.00 50.00 C ATOM 0 H LEU A 23 -7.805 -7.332 28.017 1.00 50.00 H new ATOM 0 HA LEU A 23 -7.053 -4.852 27.074 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -6.675 -7.746 26.175 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -5.932 -6.477 25.222 1.00 50.00 H new ATOM 0 HG LEU A 23 -4.899 -5.579 27.390 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -4.800 -7.171 29.288 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -6.480 -6.700 28.937 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -5.871 -8.287 28.409 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -3.130 -7.314 27.432 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -4.203 -8.430 26.554 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -3.623 -6.945 25.762 1.00 50.00 H new ATOM 353 N PHE A 24 -8.977 -6.235 24.801 1.00 50.00 N ATOM 354 CA PHE A 24 -9.764 -5.870 23.588 1.00 50.00 C ATOM 355 C PHE A 24 -10.637 -4.649 23.879 1.00 50.00 C ATOM 356 O PHE A 24 -10.970 -3.885 22.995 1.00 50.00 O ATOM 357 CB PHE A 24 -10.628 -7.096 23.286 1.00 50.00 C ATOM 358 CG PHE A 24 -9.746 -8.221 22.796 1.00 50.00 C ATOM 359 CD1 PHE A 24 -9.395 -8.297 21.443 1.00 50.00 C ATOM 360 CD2 PHE A 24 -9.280 -9.185 23.696 1.00 50.00 C ATOM 361 CE1 PHE A 24 -8.577 -9.339 20.990 1.00 50.00 C ATOM 362 CE2 PHE A 24 -8.462 -10.228 23.243 1.00 50.00 C ATOM 363 CZ PHE A 24 -8.110 -10.305 21.890 1.00 50.00 C ATOM 0 H PHE A 24 -9.086 -7.198 25.118 1.00 50.00 H new ATOM 0 HA PHE A 24 -9.127 -5.611 22.743 1.00 50.00 H new ATOM 0 HB2 PHE A 24 -11.167 -7.405 24.182 1.00 50.00 H new ATOM 0 HB3 PHE A 24 -11.376 -6.851 22.532 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -9.755 -7.552 20.749 1.00 50.00 H new ATOM 0 HD2 PHE A 24 -9.551 -9.125 24.740 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -8.306 -9.398 19.946 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -8.103 -10.973 23.938 1.00 50.00 H new ATOM 0 HZ PHE A 24 -7.479 -11.109 21.541 1.00 50.00 H new ATOM 373 N GLU A 25 -11.006 -4.459 25.114 1.00 50.00 N ATOM 374 CA GLU A 25 -11.854 -3.284 25.467 1.00 50.00 C ATOM 375 C GLU A 25 -10.971 -2.059 25.725 1.00 50.00 C ATOM 376 O GLU A 25 -11.307 -0.951 25.357 1.00 50.00 O ATOM 377 CB GLU A 25 -12.592 -3.692 26.743 1.00 50.00 C ATOM 378 CG GLU A 25 -13.911 -2.922 26.837 1.00 50.00 C ATOM 379 CD GLU A 25 -14.745 -3.479 27.993 1.00 50.00 C ATOM 380 OE1 GLU A 25 -14.188 -3.665 29.062 1.00 50.00 O ATOM 381 OE2 GLU A 25 -15.925 -3.710 27.788 1.00 50.00 O ATOM 0 H GLU A 25 -10.758 -5.066 25.895 1.00 50.00 H new ATOM 0 HA GLU A 25 -12.545 -3.018 24.667 1.00 50.00 H new ATOM 0 HB2 GLU A 25 -12.784 -4.765 26.737 1.00 50.00 H new ATOM 0 HB3 GLU A 25 -11.974 -3.484 27.616 1.00 50.00 H new ATOM 0 HG2 GLU A 25 -13.715 -1.861 26.994 1.00 50.00 H new ATOM 0 HG3 GLU A 25 -14.463 -3.009 25.901 1.00 50.00 H new ATOM 388 N LYS A 26 -9.844 -2.252 26.356 1.00 50.00 N ATOM 389 CA LYS A 26 -8.940 -1.101 26.638 1.00 50.00 C ATOM 390 C LYS A 26 -8.122 -0.747 25.392 1.00 50.00 C ATOM 391 O LYS A 26 -7.629 0.354 25.252 1.00 50.00 O ATOM 392 CB LYS A 26 -8.023 -1.582 27.762 1.00 50.00 C ATOM 393 CG LYS A 26 -8.258 -0.729 29.011 1.00 50.00 C ATOM 394 CD LYS A 26 -7.610 0.644 28.820 1.00 50.00 C ATOM 395 CE LYS A 26 -6.087 0.500 28.861 1.00 50.00 C ATOM 396 NZ LYS A 26 -5.642 0.741 27.460 1.00 50.00 N ATOM 0 H LYS A 26 -9.511 -3.157 26.688 1.00 50.00 H new ATOM 0 HA LYS A 26 -9.493 -0.204 26.918 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -8.220 -2.631 27.983 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -6.981 -1.512 27.451 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -9.327 -0.617 29.192 1.00 50.00 H new ATOM 0 HG3 LYS A 26 -7.837 -1.223 29.887 1.00 50.00 H new ATOM 0 HD2 LYS A 26 -7.920 1.075 27.868 1.00 50.00 H new ATOM 0 HD3 LYS A 26 -7.943 1.327 29.602 1.00 50.00 H new ATOM 0 HE2 LYS A 26 -5.640 1.220 29.547 1.00 50.00 H new ATOM 0 HE3 LYS A 26 -5.793 -0.492 29.204 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 -4.868 0.088 27.224 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 -6.439 0.583 26.811 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 -5.308 1.721 27.366 1.00 50.00 H new ATOM 410 N ALA A 27 -7.974 -1.674 24.484 1.00 50.00 N ATOM 411 CA ALA A 27 -7.187 -1.389 23.249 1.00 50.00 C ATOM 412 C ALA A 27 -7.887 -0.314 22.414 1.00 50.00 C ATOM 413 O ALA A 27 -7.270 0.364 21.616 1.00 50.00 O ATOM 414 CB ALA A 27 -7.146 -2.716 22.489 1.00 50.00 C ATOM 0 H ALA A 27 -8.363 -2.615 24.544 1.00 50.00 H new ATOM 0 HA ALA A 27 -6.187 -1.017 23.473 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -6.582 -2.589 21.565 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -6.664 -3.474 23.106 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -8.162 -3.032 22.254 1.00 50.00 H new ATOM 420 N ALA A 28 -9.168 -0.154 22.593 1.00 50.00 N ATOM 421 CA ALA A 28 -9.906 0.879 21.812 1.00 50.00 C ATOM 422 C ALA A 28 -9.621 2.272 22.378 1.00 50.00 C ATOM 423 O ALA A 28 -9.910 3.276 21.758 1.00 50.00 O ATOM 424 CB ALA A 28 -11.383 0.522 21.981 1.00 50.00 C ATOM 0 H ALA A 28 -9.737 -0.693 23.246 1.00 50.00 H new ATOM 0 HA ALA A 28 -9.609 0.896 20.763 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -11.995 1.238 21.434 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -11.562 -0.480 21.592 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -11.646 0.553 23.038 1.00 50.00 H new ATOM 430 N ASP A 29 -9.056 2.340 23.553 1.00 50.00 N ATOM 431 CA ASP A 29 -8.755 3.668 24.160 1.00 50.00 C ATOM 432 C ASP A 29 -7.298 4.058 23.896 1.00 50.00 C ATOM 433 O ASP A 29 -6.862 5.138 24.244 1.00 50.00 O ATOM 434 CB ASP A 29 -8.996 3.480 25.658 1.00 50.00 C ATOM 435 CG ASP A 29 -10.458 3.796 25.983 1.00 50.00 C ATOM 436 OD1 ASP A 29 -11.298 2.955 25.713 1.00 50.00 O ATOM 437 OD2 ASP A 29 -10.710 4.874 26.497 1.00 50.00 O ATOM 0 H ASP A 29 -8.790 1.534 24.118 1.00 50.00 H new ATOM 0 HA ASP A 29 -9.374 4.462 23.742 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -8.761 2.456 25.949 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -8.336 4.134 26.228 1.00 50.00 H new ATOM 442 N ALA A 30 -6.539 3.188 23.286 1.00 50.00 N ATOM 443 CA ALA A 30 -5.110 3.514 23.005 1.00 50.00 C ATOM 444 C ALA A 30 -4.931 3.912 21.539 1.00 50.00 C ATOM 445 O ALA A 30 -4.076 4.707 21.201 1.00 50.00 O ATOM 446 CB ALA A 30 -4.344 2.228 23.309 1.00 50.00 C ATOM 0 H ALA A 30 -6.845 2.268 22.971 1.00 50.00 H new ATOM 0 HA ALA A 30 -4.755 4.353 23.604 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -3.281 2.386 23.126 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -4.496 1.952 24.353 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -4.708 1.427 22.665 1.00 50.00 H new ATOM 452 N GLY A 31 -5.726 3.363 20.664 1.00 50.00 N ATOM 453 CA GLY A 31 -5.595 3.707 19.219 1.00 50.00 C ATOM 454 C GLY A 31 -4.296 3.110 18.675 1.00 50.00 C ATOM 455 O GLY A 31 -3.520 3.779 18.021 1.00 50.00 O ATOM 0 H GLY A 31 -6.461 2.691 20.886 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -6.448 3.320 18.662 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -5.594 4.789 19.089 1.00 50.00 H new ATOM 459 N LEU A 32 -4.051 1.858 18.944 1.00 50.00 N ATOM 460 CA LEU A 32 -2.800 1.217 18.448 1.00 50.00 C ATOM 461 C LEU A 32 -2.904 0.934 16.946 1.00 50.00 C ATOM 462 O LEU A 32 -3.830 1.361 16.285 1.00 50.00 O ATOM 463 CB LEU A 32 -2.687 -0.088 19.234 1.00 50.00 C ATOM 464 CG LEU A 32 -2.765 0.213 20.733 1.00 50.00 C ATOM 465 CD1 LEU A 32 -3.334 -1.003 21.468 1.00 50.00 C ATOM 466 CD2 LEU A 32 -1.364 0.521 21.265 1.00 50.00 C ATOM 0 H LEU A 32 -4.664 1.250 19.487 1.00 50.00 H new ATOM 0 HA LEU A 32 -1.927 1.855 18.587 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -3.488 -0.769 18.946 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -1.746 -0.586 19.000 1.00 50.00 H new ATOM 0 HG LEU A 32 -3.413 1.074 20.898 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -3.390 -0.790 22.535 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -4.332 -1.223 21.089 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -2.686 -1.864 21.304 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -1.419 0.735 22.332 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -0.715 -0.339 21.101 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -0.958 1.387 20.742 1.00 50.00 H new ATOM 478 N ASP A 33 -1.956 0.217 16.403 1.00 50.00 N ATOM 479 CA ASP A 33 -1.994 -0.093 14.944 1.00 50.00 C ATOM 480 C ASP A 33 -3.275 -0.858 14.595 1.00 50.00 C ATOM 481 O ASP A 33 -3.848 -1.537 15.423 1.00 50.00 O ATOM 482 CB ASP A 33 -0.766 -0.968 14.695 1.00 50.00 C ATOM 483 CG ASP A 33 0.498 -0.201 15.092 1.00 50.00 C ATOM 484 OD1 ASP A 33 0.725 0.856 14.529 1.00 50.00 O ATOM 485 OD2 ASP A 33 1.215 -0.686 15.951 1.00 50.00 O ATOM 0 H ASP A 33 -1.157 -0.167 16.907 1.00 50.00 H new ATOM 0 HA ASP A 33 -1.987 0.809 14.331 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -0.841 -1.890 15.272 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -0.716 -1.252 13.644 1.00 50.00 H new ATOM 490 N GLY A 34 -3.724 -0.754 13.374 1.00 50.00 N ATOM 491 CA GLY A 34 -4.965 -1.475 12.971 1.00 50.00 C ATOM 492 C GLY A 34 -4.655 -2.963 12.802 1.00 50.00 C ATOM 493 O GLY A 34 -5.373 -3.817 13.283 1.00 50.00 O ATOM 0 H GLY A 34 -3.285 -0.201 12.638 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -5.740 -1.337 13.725 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -5.351 -1.064 12.038 1.00 50.00 H new ATOM 497 N GLU A 35 -3.588 -3.276 12.126 1.00 50.00 N ATOM 498 CA GLU A 35 -3.222 -4.709 11.925 1.00 50.00 C ATOM 499 C GLU A 35 -2.915 -5.363 13.275 1.00 50.00 C ATOM 500 O GLU A 35 -2.789 -6.567 13.381 1.00 50.00 O ATOM 501 CB GLU A 35 -1.970 -4.680 11.047 1.00 50.00 C ATOM 502 CG GLU A 35 -2.311 -5.204 9.651 1.00 50.00 C ATOM 503 CD GLU A 35 -2.837 -4.055 8.789 1.00 50.00 C ATOM 504 OE1 GLU A 35 -2.022 -3.345 8.221 1.00 50.00 O ATOM 505 OE2 GLU A 35 -4.044 -3.904 8.709 1.00 50.00 O ATOM 0 H GLU A 35 -2.950 -2.602 11.702 1.00 50.00 H new ATOM 0 HA GLU A 35 -4.027 -5.283 11.465 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -1.584 -3.663 10.980 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -1.186 -5.291 11.494 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -1.426 -5.643 9.190 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -3.060 -5.993 9.720 1.00 50.00 H new ATOM 512 N ASP A 36 -2.791 -4.574 14.306 1.00 50.00 N ATOM 513 CA ASP A 36 -2.490 -5.136 15.653 1.00 50.00 C ATOM 514 C ASP A 36 -3.787 -5.463 16.398 1.00 50.00 C ATOM 515 O ASP A 36 -3.973 -6.561 16.886 1.00 50.00 O ATOM 516 CB ASP A 36 -1.725 -4.025 16.373 1.00 50.00 C ATOM 517 CG ASP A 36 -0.238 -4.119 16.027 1.00 50.00 C ATOM 518 OD1 ASP A 36 0.130 -5.049 15.329 1.00 50.00 O ATOM 519 OD2 ASP A 36 0.508 -3.258 16.466 1.00 50.00 O ATOM 0 H ASP A 36 -2.886 -3.559 14.273 1.00 50.00 H new ATOM 0 HA ASP A 36 -1.919 -6.063 15.597 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -2.116 -3.051 16.079 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -1.864 -4.113 17.450 1.00 50.00 H new ATOM 524 N TYR A 37 -4.682 -4.518 16.497 1.00 12.50 N ATOM 525 CA TYR A 37 -5.961 -4.777 17.219 1.00 12.50 C ATOM 526 C TYR A 37 -7.153 -4.335 16.362 1.00 12.50 C ATOM 527 O TYR A 37 -7.113 -3.315 15.703 1.00 12.50 O ATOM 528 CB TYR A 37 -5.861 -3.937 18.500 1.00 12.50 C ATOM 529 CG TYR A 37 -7.243 -3.615 19.025 1.00 12.50 C ATOM 530 CD1 TYR A 37 -8.138 -4.648 19.332 1.00 50.00 C ATOM 531 CD2 TYR A 37 -7.627 -2.281 19.202 1.00 50.00 C ATOM 532 CE1 TYR A 37 -9.416 -4.345 19.815 1.00 50.00 C ATOM 533 CE2 TYR A 37 -8.905 -1.978 19.686 1.00 50.00 C ATOM 534 CZ TYR A 37 -9.800 -3.010 19.993 1.00 12.50 C ATOM 535 OH TYR A 37 -11.061 -2.711 20.470 1.00 50.00 O ATOM 0 H TYR A 37 -4.584 -3.579 16.110 1.00 12.50 H new ATOM 0 HA TYR A 37 -6.113 -5.834 17.438 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -5.295 -4.480 19.256 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -5.318 -3.014 18.297 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -7.842 -5.678 19.196 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -6.937 -1.485 18.965 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -10.107 -5.141 20.051 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -9.201 -0.948 19.823 1.00 50.00 H new ATOM 0 HH TYR A 37 -11.164 -3.077 21.373 1.00 50.00 H new ATOM 545 N GLY A 38 -8.214 -5.096 16.372 1.00 10.00 N ATOM 546 CA GLY A 38 -9.409 -4.722 15.565 1.00 10.00 C ATOM 547 C GLY A 38 -10.363 -5.916 15.481 1.00 10.00 C ATOM 548 O GLY A 38 -10.066 -6.994 15.957 1.00 10.00 O ATOM 0 H GLY A 38 -8.304 -5.961 16.905 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -9.915 -3.870 16.019 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -9.104 -4.416 14.564 1.00 10.00 H new ATOM 552 N THR A 39 -11.506 -5.732 14.879 1.00 10.00 N ATOM 553 CA THR A 39 -12.479 -6.856 14.765 1.00 10.00 C ATOM 554 C THR A 39 -12.253 -7.620 13.458 1.00 10.00 C ATOM 555 O THR A 39 -12.090 -7.035 12.406 1.00 10.00 O ATOM 556 CB THR A 39 -13.856 -6.190 14.761 1.00 50.00 C ATOM 557 OG1 THR A 39 -13.942 -5.274 15.845 1.00 50.00 O ATOM 558 CG2 THR A 39 -14.942 -7.256 14.904 1.00 50.00 C ATOM 0 H THR A 39 -11.808 -4.852 14.461 1.00 10.00 H new ATOM 0 HA THR A 39 -12.375 -7.575 15.578 1.00 10.00 H new ATOM 0 HB THR A 39 -13.997 -5.655 13.822 1.00 50.00 H new ATOM 0 HG1 THR A 39 -14.823 -4.846 15.842 1.00 50.00 H new ATOM 0 HG21 THR A 39 -15.922 -6.779 14.901 1.00 50.00 H new ATOM 0 HG22 THR A 39 -14.876 -7.956 14.071 1.00 50.00 H new ATOM 0 HG23 THR A 39 -14.803 -7.794 15.842 1.00 50.00 H new ATOM 566 N MET A 40 -12.245 -8.925 13.515 1.00 10.00 N ATOM 567 CA MET A 40 -12.034 -9.719 12.272 1.00 10.00 C ATOM 568 C MET A 40 -13.261 -10.589 11.989 1.00 10.00 C ATOM 569 O MET A 40 -13.430 -11.646 12.565 1.00 10.00 O ATOM 570 CB MET A 40 -10.812 -10.593 12.553 1.00 10.00 C ATOM 571 CG MET A 40 -9.869 -10.549 11.349 1.00 10.00 C ATOM 572 SD MET A 40 -8.650 -11.879 11.489 1.00 12.50 S ATOM 573 CE MET A 40 -9.520 -13.089 10.462 1.00 50.00 C ATOM 0 H MET A 40 -12.375 -9.473 14.365 1.00 10.00 H new ATOM 0 HA MET A 40 -11.883 -9.083 11.400 1.00 10.00 H new ATOM 0 HB2 MET A 40 -10.296 -10.240 13.446 1.00 10.00 H new ATOM 0 HB3 MET A 40 -11.122 -11.619 12.749 1.00 10.00 H new ATOM 0 HG2 MET A 40 -10.437 -10.657 10.425 1.00 10.00 H new ATOM 0 HG3 MET A 40 -9.366 -9.583 11.303 1.00 10.00 H new ATOM 0 HE1 MET A 40 -8.816 -13.845 10.114 1.00 50.00 H new ATOM 0 HE2 MET A 40 -10.305 -13.567 11.048 1.00 50.00 H new ATOM 0 HE3 MET A 40 -9.964 -12.585 9.604 1.00 50.00 H new ATOM 583 N GLU A 41 -14.119 -10.155 11.107 1.00 10.00 N ATOM 584 CA GLU A 41 -15.333 -10.960 10.791 1.00 10.00 C ATOM 585 C GLU A 41 -15.076 -11.843 9.567 1.00 10.00 C ATOM 586 O GLU A 41 -14.864 -11.356 8.474 1.00 10.00 O ATOM 587 CB GLU A 41 -16.424 -9.931 10.490 1.00 10.00 C ATOM 588 CG GLU A 41 -17.093 -9.500 11.797 1.00 10.00 C ATOM 589 CD GLU A 41 -18.521 -9.034 11.507 1.00 12.50 C ATOM 590 OE1 GLU A 41 -19.143 -9.606 10.626 1.00 12.50 O ATOM 591 OE2 GLU A 41 -18.968 -8.113 12.170 1.00 12.50 O ATOM 0 H GLU A 41 -14.032 -9.279 10.592 1.00 10.00 H new ATOM 0 HA GLU A 41 -15.614 -11.623 11.609 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -15.993 -9.065 9.987 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -17.164 -10.358 9.813 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -17.106 -10.330 12.503 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -16.523 -8.695 12.262 1.00 10.00 H new ATOM 598 N VAL A 42 -15.091 -13.135 9.742 1.00 10.00 N ATOM 599 CA VAL A 42 -14.846 -14.044 8.586 1.00 10.00 C ATOM 600 C VAL A 42 -15.960 -15.090 8.488 1.00 10.00 C ATOM 601 O VAL A 42 -16.486 -15.547 9.484 1.00 10.00 O ATOM 602 CB VAL A 42 -13.505 -14.714 8.887 1.00 10.00 C ATOM 603 CG1 VAL A 42 -12.493 -13.656 9.334 1.00 10.00 C ATOM 604 CG2 VAL A 42 -13.687 -15.746 10.003 1.00 10.00 C ATOM 0 H VAL A 42 -15.262 -13.601 10.633 1.00 10.00 H new ATOM 0 HA VAL A 42 -14.831 -13.509 7.636 1.00 10.00 H new ATOM 0 HB VAL A 42 -13.140 -15.211 7.988 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -11.537 -14.134 9.548 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -12.361 -12.921 8.540 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -12.859 -13.159 10.232 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -12.731 -16.223 10.217 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -14.054 -15.250 10.901 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -14.406 -16.501 9.686 1.00 10.00 H new ATOM 614 N ALA A 43 -16.322 -15.472 7.295 1.00 10.00 N ATOM 615 CA ALA A 43 -17.400 -16.488 7.131 1.00 10.00 C ATOM 616 C ALA A 43 -17.014 -17.788 7.843 1.00 10.00 C ATOM 617 O ALA A 43 -16.000 -18.389 7.550 1.00 10.00 O ATOM 618 CB ALA A 43 -17.504 -16.712 5.623 1.00 50.00 C ATOM 0 H ALA A 43 -15.918 -15.124 6.425 1.00 10.00 H new ATOM 0 HA ALA A 43 -18.347 -16.161 7.561 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -18.279 -17.450 5.417 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -17.758 -15.772 5.132 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -16.549 -17.073 5.242 1.00 50.00 H new ATOM 624 N GLU A 44 -17.815 -18.225 8.775 1.00 10.00 N ATOM 625 CA GLU A 44 -17.493 -19.485 9.504 1.00 10.00 C ATOM 626 C GLU A 44 -17.042 -20.565 8.518 1.00 10.00 C ATOM 627 O GLU A 44 -17.789 -20.983 7.656 1.00 10.00 O ATOM 628 CB GLU A 44 -18.798 -19.891 10.188 1.00 10.00 C ATOM 629 CG GLU A 44 -18.484 -20.594 11.510 1.00 10.00 C ATOM 630 CD GLU A 44 -19.740 -21.303 12.020 1.00 25.00 C ATOM 631 OE1 GLU A 44 -20.638 -20.617 12.478 1.00 25.00 O ATOM 632 OE2 GLU A 44 -19.781 -22.520 11.944 1.00 25.00 O ATOM 0 H GLU A 44 -18.678 -17.765 9.064 1.00 10.00 H new ATOM 0 HA GLU A 44 -16.683 -19.353 10.221 1.00 10.00 H new ATOM 0 HB2 GLU A 44 -19.415 -19.011 10.369 1.00 10.00 H new ATOM 0 HB3 GLU A 44 -19.371 -20.553 9.539 1.00 10.00 H new ATOM 0 HG2 GLU A 44 -17.678 -21.315 11.369 1.00 10.00 H new ATOM 0 HG3 GLU A 44 -18.138 -19.869 12.247 1.00 10.00 H new ATOM 639 N GLY A 45 -15.825 -21.018 8.638 1.00 10.00 N ATOM 640 CA GLY A 45 -15.326 -22.069 7.709 1.00 10.00 C ATOM 641 C GLY A 45 -14.129 -21.526 6.924 1.00 10.00 C ATOM 642 O GLY A 45 -13.473 -22.245 6.198 1.00 10.00 O ATOM 0 H GLY A 45 -15.154 -20.705 9.340 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -15.035 -22.957 8.270 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -16.118 -22.370 7.024 1.00 10.00 H new ATOM 646 N GLU A 46 -13.840 -20.261 7.065 1.00 10.00 N ATOM 647 CA GLU A 46 -12.684 -19.675 6.327 1.00 10.00 C ATOM 648 C GLU A 46 -11.459 -19.599 7.242 1.00 10.00 C ATOM 649 O GLU A 46 -11.572 -19.364 8.429 1.00 10.00 O ATOM 650 CB GLU A 46 -13.141 -18.274 5.921 1.00 10.00 C ATOM 651 CG GLU A 46 -13.435 -18.251 4.419 1.00 10.00 C ATOM 652 CD GLU A 46 -13.810 -16.829 3.994 1.00 10.00 C ATOM 653 OE1 GLU A 46 -14.527 -16.178 4.736 1.00 10.00 O ATOM 654 OE2 GLU A 46 -13.374 -16.417 2.932 1.00 10.00 O ATOM 0 H GLU A 46 -14.353 -19.609 7.658 1.00 10.00 H new ATOM 0 HA GLU A 46 -12.398 -20.274 5.463 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -14.033 -17.994 6.482 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -12.369 -17.543 6.163 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -12.562 -18.590 3.862 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -14.249 -18.938 4.186 1.00 10.00 H new ATOM 661 N TYR A 47 -10.289 -19.798 6.701 1.00 10.00 N ATOM 662 CA TYR A 47 -9.059 -19.740 7.544 1.00 10.00 C ATOM 663 C TYR A 47 -8.738 -18.290 7.919 1.00 10.00 C ATOM 664 O TYR A 47 -8.788 -17.399 7.095 1.00 10.00 O ATOM 665 CB TYR A 47 -7.951 -20.325 6.668 1.00 10.00 C ATOM 666 CG TYR A 47 -8.190 -21.803 6.475 1.00 10.00 C ATOM 667 CD1 TYR A 47 -8.336 -22.640 7.589 1.00 10.00 C ATOM 668 CD2 TYR A 47 -8.264 -22.336 5.184 1.00 10.00 C ATOM 669 CE1 TYR A 47 -8.557 -24.011 7.409 1.00 10.00 C ATOM 670 CE2 TYR A 47 -8.484 -23.707 5.004 1.00 10.00 C ATOM 671 CZ TYR A 47 -8.631 -24.545 6.117 1.00 10.00 C ATOM 672 OH TYR A 47 -8.848 -25.897 5.939 1.00 10.00 O ATOM 0 H TYR A 47 -10.130 -19.998 5.713 1.00 10.00 H new ATOM 0 HA TYR A 47 -9.174 -20.289 8.478 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -7.931 -19.820 5.702 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -6.979 -20.161 7.134 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -8.278 -22.228 8.586 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -8.151 -21.690 4.326 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -8.670 -24.657 8.267 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -8.540 -24.119 4.007 1.00 10.00 H new ATOM 0 HH TYR A 47 -8.873 -26.101 4.981 1.00 10.00 H new ATOM 682 N ILE A 48 -8.407 -18.052 9.158 1.00 10.00 N ATOM 683 CA ILE A 48 -8.079 -16.662 9.591 1.00 10.00 C ATOM 684 C ILE A 48 -7.102 -16.020 8.604 1.00 10.00 C ATOM 685 O ILE A 48 -7.438 -15.091 7.897 1.00 10.00 O ATOM 686 CB ILE A 48 -7.427 -16.825 10.966 1.00 10.00 C ATOM 687 CG1 ILE A 48 -8.506 -17.116 12.018 1.00 10.00 C ATOM 688 CG2 ILE A 48 -6.674 -15.543 11.332 1.00 10.00 C ATOM 689 CD1 ILE A 48 -9.235 -15.821 12.390 1.00 10.00 C ATOM 0 H ILE A 48 -8.349 -18.759 9.891 1.00 10.00 H new ATOM 0 HA ILE A 48 -8.958 -16.019 9.629 1.00 10.00 H new ATOM 0 HB ILE A 48 -6.724 -17.657 10.937 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -9.217 -17.845 11.630 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -8.051 -17.555 12.906 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -6.210 -15.660 12.311 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -5.903 -15.348 10.586 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -7.372 -14.706 11.359 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -9.999 -16.035 13.137 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -8.521 -15.105 12.797 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -9.705 -15.400 11.501 1.00 10.00 H new ATOM 701 N LEU A 49 -5.893 -16.509 8.554 1.00 10.00 N ATOM 702 CA LEU A 49 -4.892 -15.926 7.615 1.00 10.00 C ATOM 703 C LEU A 49 -5.536 -15.656 6.252 1.00 10.00 C ATOM 704 O LEU A 49 -5.216 -14.694 5.587 1.00 10.00 O ATOM 705 CB LEU A 49 -3.797 -16.992 7.494 1.00 10.00 C ATOM 706 CG LEU A 49 -2.772 -16.581 6.428 1.00 10.00 C ATOM 707 CD1 LEU A 49 -3.333 -16.878 5.036 1.00 10.00 C ATOM 708 CD2 LEU A 49 -2.463 -15.085 6.546 1.00 10.00 C ATOM 0 H LEU A 49 -5.555 -17.286 9.122 1.00 10.00 H new ATOM 0 HA LEU A 49 -4.497 -14.974 7.970 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -3.300 -17.124 8.455 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -4.241 -17.952 7.231 1.00 10.00 H new ATOM 0 HG LEU A 49 -1.854 -17.148 6.581 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -2.604 -16.586 4.280 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -3.540 -17.944 4.947 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -4.255 -16.316 4.888 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -1.735 -14.803 5.786 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -3.379 -14.512 6.402 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -2.055 -14.875 7.535 1.00 10.00 H new ATOM 720 N GLU A 50 -6.436 -16.500 5.830 1.00 10.00 N ATOM 721 CA GLU A 50 -7.090 -16.291 4.506 1.00 10.00 C ATOM 722 C GLU A 50 -8.165 -15.203 4.602 1.00 10.00 C ATOM 723 O GLU A 50 -8.193 -14.274 3.817 1.00 10.00 O ATOM 724 CB GLU A 50 -7.725 -17.638 4.165 1.00 10.00 C ATOM 725 CG GLU A 50 -7.627 -17.884 2.658 1.00 10.00 C ATOM 726 CD GLU A 50 -8.282 -16.722 1.909 1.00 50.00 C ATOM 727 OE1 GLU A 50 -9.470 -16.518 2.096 1.00 50.00 O ATOM 728 OE2 GLU A 50 -7.585 -16.059 1.159 1.00 50.00 O ATOM 0 H GLU A 50 -6.747 -17.325 6.343 1.00 10.00 H new ATOM 0 HA GLU A 50 -6.380 -15.965 3.746 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -7.220 -18.437 4.708 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.769 -17.649 4.479 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -6.583 -17.980 2.361 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -8.119 -18.821 2.399 1.00 10.00 H new ATOM 735 N ALA A 51 -9.053 -15.315 5.550 1.00 10.00 N ATOM 736 CA ALA A 51 -10.133 -14.293 5.687 1.00 10.00 C ATOM 737 C ALA A 51 -9.543 -12.923 6.020 1.00 10.00 C ATOM 738 O ALA A 51 -9.892 -11.924 5.425 1.00 10.00 O ATOM 739 CB ALA A 51 -11.007 -14.793 6.837 1.00 12.50 C ATOM 0 H ALA A 51 -9.079 -16.069 6.237 1.00 10.00 H new ATOM 0 HA ALA A 51 -10.698 -14.172 4.763 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -11.827 -14.094 7.001 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -11.411 -15.774 6.587 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -10.407 -14.868 7.744 1.00 12.50 H new ATOM 745 N ALA A 52 -8.660 -12.871 6.970 1.00 10.00 N ATOM 746 CA ALA A 52 -8.052 -11.563 7.351 1.00 10.00 C ATOM 747 C ALA A 52 -7.118 -11.061 6.249 1.00 10.00 C ATOM 748 O ALA A 52 -6.947 -9.872 6.065 1.00 10.00 O ATOM 749 CB ALA A 52 -7.274 -11.843 8.636 1.00 10.00 C ATOM 0 H ALA A 52 -8.329 -13.676 7.503 1.00 10.00 H new ATOM 0 HA ALA A 52 -8.806 -10.789 7.494 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -6.797 -10.925 8.980 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -7.958 -12.206 9.404 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -6.512 -12.598 8.443 1.00 10.00 H new ATOM 755 N GLU A 53 -6.515 -11.950 5.513 1.00 10.00 N ATOM 756 CA GLU A 53 -5.597 -11.508 4.424 1.00 10.00 C ATOM 757 C GLU A 53 -6.397 -10.831 3.311 1.00 10.00 C ATOM 758 O GLU A 53 -5.917 -9.939 2.641 1.00 10.00 O ATOM 759 CB GLU A 53 -4.936 -12.786 3.908 1.00 10.00 C ATOM 760 CG GLU A 53 -4.242 -12.498 2.575 1.00 10.00 C ATOM 761 CD GLU A 53 -5.239 -12.685 1.431 1.00 10.00 C ATOM 762 OE1 GLU A 53 -5.738 -13.789 1.280 1.00 10.00 O ATOM 763 OE2 GLU A 53 -5.486 -11.723 0.723 1.00 10.00 O ATOM 0 H GLU A 53 -6.616 -12.960 5.616 1.00 10.00 H new ATOM 0 HA GLU A 53 -4.858 -10.787 4.775 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -4.212 -13.153 4.635 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -5.684 -13.569 3.780 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -3.851 -11.480 2.569 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -3.391 -13.167 2.443 1.00 10.00 H new ATOM 770 N ALA A 54 -7.615 -11.249 3.112 1.00 10.00 N ATOM 771 CA ALA A 54 -8.450 -10.631 2.043 1.00 10.00 C ATOM 772 C ALA A 54 -8.882 -9.221 2.456 1.00 10.00 C ATOM 773 O ALA A 54 -9.384 -8.457 1.656 1.00 10.00 O ATOM 774 CB ALA A 54 -9.666 -11.549 1.911 1.00 50.00 C ATOM 0 H ALA A 54 -8.069 -11.992 3.643 1.00 10.00 H new ATOM 0 HA ALA A 54 -7.909 -10.533 1.102 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -10.333 -11.161 1.141 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -9.337 -12.551 1.636 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -10.196 -11.590 2.863 1.00 50.00 H new ATOM 780 N GLN A 55 -8.695 -8.870 3.700 1.00 10.00 N ATOM 781 CA GLN A 55 -9.101 -7.509 4.156 1.00 10.00 C ATOM 782 C GLN A 55 -7.890 -6.571 4.179 1.00 10.00 C ATOM 783 O GLN A 55 -8.024 -5.369 4.061 1.00 10.00 O ATOM 784 CB GLN A 55 -9.652 -7.711 5.568 1.00 10.00 C ATOM 785 CG GLN A 55 -10.963 -8.496 5.494 1.00 10.00 C ATOM 786 CD GLN A 55 -12.143 -7.534 5.656 1.00 10.00 C ATOM 787 OE1 GLN A 55 -12.474 -7.142 6.758 1.00 10.00 O ATOM 788 NE2 GLN A 55 -12.795 -7.138 4.598 1.00 10.00 N ATOM 0 H GLN A 55 -8.280 -9.464 4.418 1.00 10.00 H new ATOM 0 HA GLN A 55 -9.837 -7.056 3.492 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -8.927 -8.249 6.180 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.820 -6.746 6.046 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -11.034 -9.018 4.540 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -10.989 -9.256 6.275 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -12.516 -7.468 3.674 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -13.584 -6.499 4.695 1.00 10.00 H new ATOM 797 N GLY A 56 -6.710 -7.108 4.325 1.00 10.00 N ATOM 798 CA GLY A 56 -5.497 -6.240 4.350 1.00 10.00 C ATOM 799 C GLY A 56 -4.718 -6.473 5.647 1.00 10.00 C ATOM 800 O GLY A 56 -3.858 -5.696 6.010 1.00 10.00 O ATOM 0 H GLY A 56 -6.533 -8.107 4.428 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -4.864 -6.460 3.490 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -5.787 -5.192 4.273 1.00 10.00 H new ATOM 804 N TYR A 57 -5.009 -7.535 6.349 1.00 10.00 N ATOM 805 CA TYR A 57 -4.278 -7.812 7.620 1.00 10.00 C ATOM 806 C TYR A 57 -2.947 -8.510 7.317 1.00 10.00 C ATOM 807 O TYR A 57 -2.603 -8.736 6.173 1.00 10.00 O ATOM 808 CB TYR A 57 -5.204 -8.733 8.414 1.00 10.00 C ATOM 809 CG TYR A 57 -6.398 -7.952 8.904 1.00 10.00 C ATOM 810 CD1 TYR A 57 -6.221 -6.715 9.536 1.00 10.00 C ATOM 811 CD2 TYR A 57 -7.685 -8.469 8.724 1.00 10.00 C ATOM 812 CE1 TYR A 57 -7.334 -5.997 9.989 1.00 12.50 C ATOM 813 CE2 TYR A 57 -8.798 -7.752 9.177 1.00 12.50 C ATOM 814 CZ TYR A 57 -8.623 -6.516 9.810 1.00 12.50 C ATOM 815 OH TYR A 57 -9.720 -5.808 10.256 1.00 12.50 O ATOM 0 H TYR A 57 -5.720 -8.222 6.098 1.00 10.00 H new ATOM 0 HA TYR A 57 -4.041 -6.903 8.172 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -5.532 -9.563 7.788 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -4.667 -9.164 9.259 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -5.227 -6.315 9.674 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -7.820 -9.422 8.235 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -7.199 -5.043 10.477 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -9.792 -8.152 9.038 1.00 12.50 H new ATOM 0 HH TYR A 57 -10.537 -6.309 10.052 1.00 12.50 H new ATOM 825 N ASP A 58 -2.191 -8.849 8.328 1.00 10.00 N ATOM 826 CA ASP A 58 -0.884 -9.528 8.082 1.00 10.00 C ATOM 827 C ASP A 58 -0.620 -10.593 9.153 1.00 10.00 C ATOM 828 O ASP A 58 -0.750 -10.345 10.336 1.00 10.00 O ATOM 829 CB ASP A 58 0.161 -8.414 8.169 1.00 10.00 C ATOM 830 CG ASP A 58 1.498 -8.925 7.628 1.00 10.00 C ATOM 831 OD1 ASP A 58 1.485 -9.905 6.899 1.00 10.00 O ATOM 832 OD2 ASP A 58 2.512 -8.329 7.950 1.00 10.00 O ATOM 0 H ASP A 58 -2.420 -8.686 9.309 1.00 10.00 H new ATOM 0 HA ASP A 58 -0.863 -10.039 7.119 1.00 10.00 H new ATOM 0 HB2 ASP A 58 -0.168 -7.547 7.596 1.00 10.00 H new ATOM 0 HB3 ASP A 58 0.276 -8.088 9.203 1.00 10.00 H new ATOM 837 N TRP A 59 -0.247 -11.777 8.745 1.00 10.00 N ATOM 838 CA TRP A 59 0.031 -12.857 9.735 1.00 10.00 C ATOM 839 C TRP A 59 1.288 -13.630 9.330 1.00 10.00 C ATOM 840 O TRP A 59 1.570 -13.787 8.159 1.00 10.00 O ATOM 841 CB TRP A 59 -1.193 -13.777 9.689 1.00 10.00 C ATOM 842 CG TRP A 59 -2.442 -12.957 9.704 1.00 10.00 C ATOM 843 CD1 TRP A 59 -2.875 -12.187 8.681 1.00 10.00 C ATOM 844 CD2 TRP A 59 -3.427 -12.815 10.769 1.00 10.00 C ATOM 845 NE1 TRP A 59 -4.057 -11.576 9.053 1.00 50.00 N ATOM 846 CE2 TRP A 59 -4.439 -11.933 10.329 1.00 50.00 C ATOM 847 CE3 TRP A 59 -3.537 -13.359 12.062 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -5.524 -11.599 11.140 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -4.628 -13.026 12.881 1.00 50.00 C ATOM 850 CH2 TRP A 59 -5.620 -12.149 12.421 1.00 50.00 C ATOM 0 H TRP A 59 -0.123 -12.043 7.768 1.00 10.00 H new ATOM 0 HA TRP A 59 0.202 -12.459 10.735 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -1.162 -14.394 8.791 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -1.182 -14.455 10.542 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -2.379 -12.069 7.729 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -4.583 -10.938 8.456 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -2.779 -14.036 12.426 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -6.284 -10.921 10.781 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -4.703 -13.448 13.872 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -6.457 -11.899 13.056 1.00 50.00 H new ATOM 861 N PRO A 60 2.002 -14.088 10.320 1.00 10.00 N ATOM 862 CA PRO A 60 3.244 -14.858 10.069 1.00 10.00 C ATOM 863 C PRO A 60 2.901 -16.262 9.561 1.00 10.00 C ATOM 864 O PRO A 60 1.973 -16.891 10.028 1.00 10.00 O ATOM 865 CB PRO A 60 3.908 -14.924 11.440 1.00 10.00 C ATOM 866 CG PRO A 60 2.787 -14.770 12.421 1.00 10.00 C ATOM 867 CD PRO A 60 1.723 -13.938 11.753 1.00 10.00 C ATOM 0 HA PRO A 60 3.886 -14.406 9.313 1.00 10.00 H new ATOM 0 HB2 PRO A 60 4.429 -15.871 11.581 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.648 -14.133 11.559 1.00 10.00 H new ATOM 0 HG2 PRO A 60 2.390 -15.744 12.708 1.00 10.00 H new ATOM 0 HG3 PRO A 60 3.137 -14.287 13.333 1.00 10.00 H new ATOM 0 HD2 PRO A 60 0.723 -14.292 12.004 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.779 -12.895 12.063 1.00 10.00 H new ATOM 875 N PHE A 61 3.641 -16.759 8.608 1.00 10.00 N ATOM 876 CA PHE A 61 3.353 -18.121 8.077 1.00 10.00 C ATOM 877 C PHE A 61 4.491 -18.589 7.171 1.00 10.00 C ATOM 878 O PHE A 61 5.169 -17.797 6.546 1.00 10.00 O ATOM 879 CB PHE A 61 2.058 -17.974 7.278 1.00 10.00 C ATOM 880 CG PHE A 61 2.214 -16.867 6.261 1.00 10.00 C ATOM 881 CD1 PHE A 61 3.078 -17.035 5.172 1.00 10.00 C ATOM 882 CD2 PHE A 61 1.496 -15.674 6.408 1.00 10.00 C ATOM 883 CE1 PHE A 61 3.223 -16.009 4.229 1.00 10.00 C ATOM 884 CE2 PHE A 61 1.641 -14.649 5.465 1.00 10.00 C ATOM 885 CZ PHE A 61 2.505 -14.817 4.376 1.00 10.00 C ATOM 0 H PHE A 61 4.431 -16.282 8.175 1.00 10.00 H new ATOM 0 HA PHE A 61 3.258 -18.859 8.873 1.00 10.00 H new ATOM 0 HB2 PHE A 61 1.820 -18.912 6.776 1.00 10.00 H new ATOM 0 HB3 PHE A 61 1.228 -17.751 7.949 1.00 10.00 H new ATOM 0 HD1 PHE A 61 3.632 -17.955 5.059 1.00 10.00 H new ATOM 0 HD2 PHE A 61 0.830 -15.544 7.249 1.00 10.00 H new ATOM 0 HE1 PHE A 61 3.889 -16.138 3.389 1.00 10.00 H new ATOM 0 HE2 PHE A 61 1.087 -13.729 5.578 1.00 10.00 H new ATOM 0 HZ PHE A 61 2.617 -14.026 3.649 1.00 10.00 H new ATOM 895 N SER A 62 4.706 -19.872 7.095 1.00 10.00 N ATOM 896 CA SER A 62 5.801 -20.397 6.234 1.00 10.00 C ATOM 897 C SER A 62 5.376 -21.719 5.596 1.00 10.00 C ATOM 898 O SER A 62 5.356 -21.863 4.391 1.00 10.00 O ATOM 899 CB SER A 62 6.977 -20.619 7.185 1.00 10.00 C ATOM 900 OG SER A 62 8.071 -21.165 6.464 1.00 10.00 O ATOM 0 H SER A 62 4.169 -20.582 7.594 1.00 10.00 H new ATOM 0 HA SER A 62 6.054 -19.715 5.422 1.00 10.00 H new ATOM 0 HB2 SER A 62 7.267 -19.676 7.648 1.00 10.00 H new ATOM 0 HB3 SER A 62 6.685 -21.293 7.990 1.00 10.00 H new ATOM 0 HG SER A 62 8.826 -21.306 7.073 1.00 10.00 H new ATOM 906 N CYS A 63 5.050 -22.692 6.403 1.00 10.00 N ATOM 907 CA CYS A 63 4.639 -24.014 5.854 1.00 10.00 C ATOM 908 C CYS A 63 3.247 -23.924 5.192 1.00 10.00 C ATOM 909 O CYS A 63 3.022 -24.470 4.131 1.00 10.00 O ATOM 910 CB CYS A 63 4.662 -24.949 7.077 1.00 10.00 C ATOM 911 SG CYS A 63 3.052 -24.989 7.906 1.00 10.00 S ATOM 0 H CYS A 63 5.051 -22.627 7.421 1.00 10.00 H new ATOM 0 HA CYS A 63 5.296 -24.378 5.064 1.00 10.00 H new ATOM 0 HB2 CYS A 63 4.936 -25.956 6.762 1.00 10.00 H new ATOM 0 HB3 CYS A 63 5.426 -24.615 7.779 1.00 10.00 H new ATOM 916 N ARG A 64 2.326 -23.221 5.797 1.00 10.00 N ATOM 917 CA ARG A 64 0.960 -23.071 5.190 1.00 10.00 C ATOM 918 C ARG A 64 0.295 -24.435 4.939 1.00 10.00 C ATOM 919 O ARG A 64 -0.494 -24.590 4.028 1.00 10.00 O ATOM 920 CB ARG A 64 1.201 -22.348 3.865 1.00 10.00 C ATOM 921 CG ARG A 64 1.166 -20.835 4.093 1.00 10.00 C ATOM 922 CD ARG A 64 2.368 -20.186 3.405 1.00 10.00 C ATOM 923 NE ARG A 64 1.827 -19.635 2.129 1.00 10.00 N ATOM 924 CZ ARG A 64 2.640 -19.335 1.152 1.00 10.00 C ATOM 925 NH1 ARG A 64 3.665 -20.102 0.897 1.00 10.00 N ATOM 926 NH2 ARG A 64 2.426 -18.269 0.431 1.00 10.00 N ATOM 0 H ARG A 64 2.456 -22.741 6.688 1.00 10.00 H new ATOM 0 HA ARG A 64 0.288 -22.527 5.853 1.00 10.00 H new ATOM 0 HB2 ARG A 64 2.165 -22.641 3.449 1.00 10.00 H new ATOM 0 HB3 ARG A 64 0.440 -22.634 3.139 1.00 10.00 H new ATOM 0 HG2 ARG A 64 0.239 -20.419 3.698 1.00 10.00 H new ATOM 0 HG3 ARG A 64 1.184 -20.617 5.161 1.00 10.00 H new ATOM 0 HD2 ARG A 64 2.800 -19.399 4.023 1.00 10.00 H new ATOM 0 HD3 ARG A 64 3.157 -20.914 3.218 1.00 10.00 H new ATOM 0 HE ARG A 64 0.823 -19.493 2.020 1.00 10.00 H new ATOM 0 HH11 ARG A 64 3.831 -20.936 1.461 1.00 10.00 H new ATOM 0 HH12 ARG A 64 4.300 -19.868 0.134 1.00 10.00 H new ATOM 0 HH21 ARG A 64 1.624 -17.671 0.631 1.00 10.00 H new ATOM 0 HH22 ARG A 64 3.060 -18.034 -0.332 1.00 10.00 H new ATOM 940 N ALA A 65 0.600 -25.415 5.739 1.00 10.00 N ATOM 941 CA ALA A 65 -0.013 -26.762 5.560 1.00 10.00 C ATOM 942 C ALA A 65 -0.390 -27.362 6.922 1.00 10.00 C ATOM 943 O ALA A 65 -0.860 -28.480 7.005 1.00 10.00 O ATOM 944 CB ALA A 65 1.073 -27.602 4.886 1.00 10.00 C ATOM 0 H ALA A 65 1.254 -25.342 6.518 1.00 10.00 H new ATOM 0 HA ALA A 65 -0.928 -26.724 4.968 1.00 10.00 H new ATOM 0 HB1 ALA A 65 0.700 -28.612 4.719 1.00 10.00 H new ATOM 0 HB2 ALA A 65 1.341 -27.151 3.931 1.00 10.00 H new ATOM 0 HB3 ALA A 65 1.953 -27.642 5.528 1.00 10.00 H new ATOM 950 N GLY A 66 -0.190 -26.633 7.991 1.00 10.00 N ATOM 951 CA GLY A 66 -0.541 -27.174 9.338 1.00 10.00 C ATOM 952 C GLY A 66 0.596 -28.060 9.858 1.00 10.00 C ATOM 953 O GLY A 66 0.363 -29.086 10.466 1.00 10.00 O ATOM 0 H GLY A 66 0.200 -25.690 7.989 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -0.721 -26.354 10.033 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -1.464 -27.750 9.279 1.00 10.00 H new ATOM 957 N ALA A 67 1.824 -27.685 9.617 1.00 10.00 N ATOM 958 CA ALA A 67 2.964 -28.524 10.094 1.00 10.00 C ATOM 959 C ALA A 67 3.998 -27.689 10.871 1.00 10.00 C ATOM 960 O ALA A 67 5.036 -28.189 11.255 1.00 10.00 O ATOM 961 CB ALA A 67 3.590 -29.094 8.820 1.00 10.00 C ATOM 0 H ALA A 67 2.087 -26.838 9.113 1.00 10.00 H new ATOM 0 HA ALA A 67 2.627 -29.300 10.781 1.00 10.00 H new ATOM 0 HB1 ALA A 67 4.439 -29.725 9.083 1.00 10.00 H new ATOM 0 HB2 ALA A 67 2.849 -29.687 8.284 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.929 -28.276 8.184 1.00 10.00 H new ATOM 967 N CYS A 68 3.728 -26.433 11.122 1.00 10.00 N ATOM 968 CA CYS A 68 4.714 -25.608 11.890 1.00 10.00 C ATOM 969 C CYS A 68 3.976 -24.667 12.859 1.00 10.00 C ATOM 970 O CYS A 68 2.768 -24.713 12.974 1.00 10.00 O ATOM 971 CB CYS A 68 5.533 -24.847 10.827 1.00 10.00 C ATOM 972 SG CYS A 68 4.826 -23.213 10.484 1.00 10.00 S ATOM 0 H CYS A 68 2.879 -25.946 10.833 1.00 10.00 H new ATOM 0 HA CYS A 68 5.375 -26.211 12.513 1.00 10.00 H new ATOM 0 HB2 CYS A 68 6.561 -24.734 11.171 1.00 10.00 H new ATOM 0 HB3 CYS A 68 5.567 -25.430 9.907 1.00 10.00 H new ATOM 977 N ALA A 69 4.688 -23.831 13.568 1.00 10.00 N ATOM 978 CA ALA A 69 4.009 -22.913 14.535 1.00 10.00 C ATOM 979 C ALA A 69 4.385 -21.452 14.264 1.00 10.00 C ATOM 980 O ALA A 69 4.096 -20.573 15.050 1.00 10.00 O ATOM 981 CB ALA A 69 4.507 -23.349 15.913 1.00 25.00 C ATOM 0 H ALA A 69 5.703 -23.743 13.522 1.00 10.00 H new ATOM 0 HA ALA A 69 2.924 -22.971 14.452 1.00 10.00 H new ATOM 0 HB1 ALA A 69 4.053 -22.721 16.679 1.00 25.00 H new ATOM 0 HB2 ALA A 69 4.233 -24.390 16.087 1.00 25.00 H new ATOM 0 HB3 ALA A 69 5.591 -23.248 15.957 1.00 25.00 H new ATOM 987 N ASN A 70 5.028 -21.184 13.162 1.00 10.00 N ATOM 988 CA ASN A 70 5.419 -19.778 12.851 1.00 10.00 C ATOM 989 C ASN A 70 4.180 -18.876 12.825 1.00 10.00 C ATOM 990 O ASN A 70 4.219 -17.741 13.255 1.00 10.00 O ATOM 991 CB ASN A 70 6.064 -19.845 11.466 1.00 50.00 C ATOM 992 CG ASN A 70 7.357 -20.662 11.544 1.00 50.00 C ATOM 993 OD1 ASN A 70 7.476 -21.692 10.910 1.00 50.00 O ATOM 994 ND2 ASN A 70 8.335 -20.243 12.298 1.00 50.00 N ATOM 0 H ASN A 70 5.300 -21.876 12.463 1.00 10.00 H new ATOM 0 HA ASN A 70 6.097 -19.363 13.597 1.00 10.00 H new ATOM 0 HB2 ASN A 70 5.376 -20.301 10.754 1.00 50.00 H new ATOM 0 HB3 ASN A 70 6.278 -18.839 11.104 1.00 50.00 H new ATOM 0 HD21 ASN A 70 9.200 -20.780 12.356 1.00 50.00 H new ATOM 0 HD22 ASN A 70 8.235 -19.378 12.830 1.00 50.00 H new ATOM 1001 N CYS A 71 3.080 -19.373 12.326 1.00 10.00 N ATOM 1002 CA CYS A 71 1.839 -18.544 12.273 1.00 10.00 C ATOM 1003 C CYS A 71 1.024 -18.727 13.561 1.00 10.00 C ATOM 1004 O CYS A 71 -0.120 -18.330 13.648 1.00 10.00 O ATOM 1005 CB CYS A 71 1.066 -19.075 11.056 1.00 10.00 C ATOM 1006 SG CYS A 71 0.220 -20.622 11.486 1.00 10.00 S ATOM 0 H CYS A 71 2.986 -20.317 11.952 1.00 10.00 H new ATOM 0 HA CYS A 71 2.051 -17.478 12.187 1.00 10.00 H new ATOM 0 HB2 CYS A 71 0.339 -18.333 10.724 1.00 10.00 H new ATOM 0 HB3 CYS A 71 1.751 -19.244 10.225 1.00 10.00 H new ATOM 1011 N ALA A 72 1.607 -19.343 14.550 1.00 10.00 N ATOM 1012 CA ALA A 72 0.878 -19.579 15.830 1.00 10.00 C ATOM 1013 C ALA A 72 0.192 -18.301 16.332 1.00 10.00 C ATOM 1014 O ALA A 72 0.564 -17.198 15.982 1.00 10.00 O ATOM 1015 CB ALA A 72 1.962 -20.024 16.809 1.00 10.00 C ATOM 0 H ALA A 72 2.564 -19.696 14.528 1.00 10.00 H new ATOM 0 HA ALA A 72 0.085 -20.317 15.714 1.00 10.00 H new ATOM 0 HB1 ALA A 72 1.514 -20.221 17.783 1.00 10.00 H new ATOM 0 HB2 ALA A 72 2.437 -20.932 16.438 1.00 10.00 H new ATOM 0 HB3 ALA A 72 2.710 -19.237 16.906 1.00 10.00 H new ATOM 1021 N SER A 73 -0.811 -18.457 17.160 1.00 10.00 N ATOM 1022 CA SER A 73 -1.540 -17.274 17.706 1.00 10.00 C ATOM 1023 C SER A 73 -1.811 -17.473 19.200 1.00 10.00 C ATOM 1024 O SER A 73 -1.204 -18.302 19.846 1.00 10.00 O ATOM 1025 CB SER A 73 -2.854 -17.225 16.926 1.00 50.00 C ATOM 1026 OG SER A 73 -3.107 -15.891 16.508 1.00 50.00 O ATOM 0 H SER A 73 -1.157 -19.361 17.483 1.00 10.00 H new ATOM 0 HA SER A 73 -0.971 -16.350 17.603 1.00 10.00 H new ATOM 0 HB2 SER A 73 -2.800 -17.885 16.060 1.00 50.00 H new ATOM 0 HB3 SER A 73 -3.673 -17.584 17.549 1.00 50.00 H new ATOM 0 HG SER A 73 -2.688 -15.266 17.136 1.00 50.00 H new ATOM 1032 N ILE A 74 -2.718 -16.716 19.752 1.00 10.00 N ATOM 1033 CA ILE A 74 -3.034 -16.858 21.203 1.00 10.00 C ATOM 1034 C ILE A 74 -4.507 -16.520 21.455 1.00 10.00 C ATOM 1035 O ILE A 74 -4.830 -15.502 22.035 1.00 10.00 O ATOM 1036 CB ILE A 74 -2.123 -15.849 21.905 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -0.672 -16.329 21.827 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -2.538 -15.719 23.372 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -0.521 -17.625 22.629 1.00 10.00 C ATOM 0 H ILE A 74 -3.256 -16.003 19.260 1.00 10.00 H new ATOM 0 HA ILE A 74 -2.874 -17.873 21.567 1.00 10.00 H new ATOM 0 HB ILE A 74 -2.212 -14.879 21.415 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -0.388 -16.496 20.788 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -0.003 -15.564 22.221 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -1.889 -15.000 23.871 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -3.571 -15.376 23.429 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -2.451 -16.689 23.862 1.00 50.00 H new ATOM 0 HD11 ILE A 74 0.512 -17.968 22.574 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -0.788 -17.442 23.670 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -1.179 -18.388 22.214 1.00 10.00 H new ATOM 1051 N VAL A 75 -5.404 -17.364 21.018 1.00 10.00 N ATOM 1052 CA VAL A 75 -6.858 -17.086 21.231 1.00 10.00 C ATOM 1053 C VAL A 75 -7.106 -16.617 22.669 1.00 10.00 C ATOM 1054 O VAL A 75 -6.693 -17.251 23.618 1.00 10.00 O ATOM 1055 CB VAL A 75 -7.565 -18.416 20.961 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -7.222 -19.419 22.062 1.00 50.00 C ATOM 1057 CG2 VAL A 75 -9.078 -18.192 20.932 1.00 50.00 C ATOM 0 H VAL A 75 -5.195 -18.232 20.524 1.00 10.00 H new ATOM 0 HA VAL A 75 -7.226 -16.295 20.577 1.00 10.00 H new ATOM 0 HB VAL A 75 -7.234 -18.809 20.000 1.00 50.00 H new ATOM 0 HG11 VAL A 75 -7.728 -20.364 21.864 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -6.144 -19.582 22.083 1.00 50.00 H new ATOM 0 HG13 VAL A 75 -7.548 -19.027 23.025 1.00 50.00 H new ATOM 0 HG21 VAL A 75 -9.582 -19.139 20.740 1.00 50.00 H new ATOM 0 HG22 VAL A 75 -9.406 -17.795 21.893 1.00 50.00 H new ATOM 0 HG23 VAL A 75 -9.326 -17.482 20.143 1.00 50.00 H new ATOM 1067 N LYS A 76 -7.779 -15.511 22.839 1.00 10.00 N ATOM 1068 CA LYS A 76 -8.050 -15.009 24.217 1.00 10.00 C ATOM 1069 C LYS A 76 -9.452 -15.433 24.662 1.00 10.00 C ATOM 1070 O LYS A 76 -9.842 -15.234 25.795 1.00 10.00 O ATOM 1071 CB LYS A 76 -7.958 -13.486 24.113 1.00 25.00 C ATOM 1072 CG LYS A 76 -6.619 -13.095 23.484 1.00 25.00 C ATOM 1073 CD LYS A 76 -5.580 -12.878 24.587 1.00 50.00 C ATOM 1074 CE LYS A 76 -5.437 -11.379 24.865 1.00 50.00 C ATOM 1075 NZ LYS A 76 -4.276 -11.268 25.797 1.00 50.00 N ATOM 0 H LYS A 76 -8.152 -14.934 22.085 1.00 10.00 H new ATOM 0 HA LYS A 76 -7.347 -15.408 24.948 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -8.781 -13.102 23.510 1.00 25.00 H new ATOM 0 HB3 LYS A 76 -8.052 -13.037 25.102 1.00 25.00 H new ATOM 0 HG2 LYS A 76 -6.283 -13.877 22.802 1.00 25.00 H new ATOM 0 HG3 LYS A 76 -6.734 -12.186 22.894 1.00 25.00 H new ATOM 0 HD2 LYS A 76 -5.883 -13.400 25.495 1.00 50.00 H new ATOM 0 HD3 LYS A 76 -4.620 -13.296 24.284 1.00 50.00 H new ATOM 0 HE2 LYS A 76 -5.259 -10.822 23.945 1.00 50.00 H new ATOM 0 HE3 LYS A 76 -6.343 -10.973 25.314 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 -4.556 -10.723 26.637 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 -3.971 -12.219 26.087 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 -3.491 -10.784 25.317 1.00 50.00 H new ATOM 1089 N GLU A 77 -10.211 -16.018 23.775 1.00 10.00 N ATOM 1090 CA GLU A 77 -11.589 -16.457 24.148 1.00 10.00 C ATOM 1091 C GLU A 77 -12.338 -16.957 22.912 1.00 10.00 C ATOM 1092 O GLU A 77 -11.962 -16.680 21.791 1.00 10.00 O ATOM 1093 CB GLU A 77 -12.265 -15.208 24.715 1.00 10.00 C ATOM 1094 CG GLU A 77 -12.710 -15.480 26.154 1.00 10.00 C ATOM 1095 CD GLU A 77 -14.223 -15.284 26.265 1.00 25.00 C ATOM 1096 OE1 GLU A 77 -14.949 -16.079 25.690 1.00 25.00 O ATOM 1097 OE2 GLU A 77 -14.632 -14.342 26.925 1.00 25.00 O ATOM 0 H GLU A 77 -9.939 -16.211 22.811 1.00 10.00 H new ATOM 0 HA GLU A 77 -11.579 -17.277 24.867 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -11.575 -14.364 24.689 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -13.124 -14.936 24.102 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -12.442 -16.496 26.443 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -12.194 -14.807 26.839 1.00 10.00 H new ATOM 1104 N GLY A 78 -13.396 -17.695 23.109 1.00 10.00 N ATOM 1105 CA GLY A 78 -14.167 -18.215 21.945 1.00 10.00 C ATOM 1106 C GLY A 78 -13.652 -19.607 21.580 1.00 10.00 C ATOM 1107 O GLY A 78 -12.861 -20.194 22.293 1.00 10.00 O ATOM 0 H GLY A 78 -13.759 -17.960 24.025 1.00 10.00 H new ATOM 0 HA2 GLY A 78 -15.229 -18.259 22.188 1.00 10.00 H new ATOM 0 HA3 GLY A 78 -14.062 -17.541 21.095 1.00 10.00 H new ATOM 1111 N GLU A 79 -14.093 -20.143 20.476 1.00 10.00 N ATOM 1112 CA GLU A 79 -13.625 -21.500 20.069 1.00 10.00 C ATOM 1113 C GLU A 79 -13.280 -21.509 18.578 1.00 10.00 C ATOM 1114 O GLU A 79 -14.035 -21.036 17.753 1.00 10.00 O ATOM 1115 CB GLU A 79 -14.805 -22.429 20.354 1.00 25.00 C ATOM 1116 CG GLU A 79 -14.426 -23.862 19.976 1.00 25.00 C ATOM 1117 CD GLU A 79 -13.452 -24.423 21.014 1.00 50.00 C ATOM 1118 OE1 GLU A 79 -13.302 -23.800 22.053 1.00 50.00 O ATOM 1119 OE2 GLU A 79 -12.874 -25.465 20.754 1.00 50.00 O ATOM 0 H GLU A 79 -14.756 -19.702 19.838 1.00 10.00 H new ATOM 0 HA GLU A 79 -12.728 -21.809 20.606 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -15.075 -22.379 21.409 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -15.679 -22.110 19.786 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -15.319 -24.485 19.926 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -13.969 -23.880 18.986 1.00 25.00 H new ATOM 1126 N ILE A 80 -12.143 -22.043 18.227 1.00 10.00 N ATOM 1127 CA ILE A 80 -11.750 -22.079 16.790 1.00 10.00 C ATOM 1128 C ILE A 80 -11.786 -23.515 16.262 1.00 10.00 C ATOM 1129 O ILE A 80 -11.452 -24.452 16.959 1.00 10.00 O ATOM 1130 CB ILE A 80 -10.322 -21.536 16.758 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -10.340 -20.028 17.013 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -9.703 -21.815 15.387 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -8.933 -19.559 17.386 1.00 50.00 C ATOM 0 H ILE A 80 -11.469 -22.456 18.872 1.00 10.00 H new ATOM 0 HA ILE A 80 -12.426 -21.495 16.165 1.00 10.00 H new ATOM 0 HB ILE A 80 -9.730 -22.025 17.532 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -10.687 -19.502 16.124 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -11.039 -19.792 17.816 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -8.684 -21.428 15.362 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -9.688 -22.890 15.207 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -10.296 -21.326 14.614 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -8.944 -18.484 17.568 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -8.604 -20.076 18.287 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -8.247 -19.782 16.569 1.00 50.00 H new ATOM 1145 N ASP A 81 -12.183 -23.693 15.032 1.00 10.00 N ATOM 1146 CA ASP A 81 -12.235 -25.065 14.455 1.00 10.00 C ATOM 1147 C ASP A 81 -10.918 -25.382 13.741 1.00 10.00 C ATOM 1148 O ASP A 81 -10.350 -24.546 13.067 1.00 10.00 O ATOM 1149 CB ASP A 81 -13.391 -25.030 13.455 1.00 10.00 C ATOM 1150 CG ASP A 81 -13.324 -26.263 12.553 1.00 10.00 C ATOM 1151 OD1 ASP A 81 -13.480 -27.357 13.066 1.00 10.00 O ATOM 1152 OD2 ASP A 81 -13.119 -26.089 11.363 1.00 10.00 O ATOM 0 H ASP A 81 -12.474 -22.946 14.401 1.00 10.00 H new ATOM 0 HA ASP A 81 -12.379 -25.831 15.217 1.00 10.00 H new ATOM 0 HB2 ASP A 81 -14.343 -25.005 13.985 1.00 10.00 H new ATOM 0 HB3 ASP A 81 -13.338 -24.123 12.853 1.00 10.00 H new ATOM 1157 N MET A 82 -10.423 -26.581 13.887 1.00 12.50 N ATOM 1158 CA MET A 82 -9.139 -26.943 13.218 1.00 12.50 C ATOM 1159 C MET A 82 -9.203 -28.371 12.673 1.00 12.50 C ATOM 1160 O MET A 82 -9.946 -29.200 13.161 1.00 12.50 O ATOM 1161 CB MET A 82 -8.081 -26.834 14.316 1.00 12.50 C ATOM 1162 CG MET A 82 -6.710 -26.587 13.683 1.00 12.50 C ATOM 1163 SD MET A 82 -5.425 -27.335 14.715 1.00 12.50 S ATOM 1164 CE MET A 82 -4.971 -25.841 15.629 1.00 50.00 C ATOM 0 H MET A 82 -10.850 -27.325 14.439 1.00 12.50 H new ATOM 0 HA MET A 82 -8.919 -26.295 12.370 1.00 12.50 H new ATOM 0 HB2 MET A 82 -8.331 -26.020 14.997 1.00 12.50 H new ATOM 0 HB3 MET A 82 -8.060 -27.749 14.908 1.00 12.50 H new ATOM 0 HG2 MET A 82 -6.679 -27.012 12.680 1.00 12.50 H new ATOM 0 HG3 MET A 82 -6.532 -25.516 13.581 1.00 12.50 H new ATOM 0 HE1 MET A 82 -4.107 -26.049 16.260 1.00 50.00 H new ATOM 0 HE2 MET A 82 -4.724 -25.046 14.926 1.00 50.00 H new ATOM 0 HE3 MET A 82 -5.808 -25.527 16.252 1.00 50.00 H new ATOM 1174 N ASP A 83 -8.428 -28.667 11.665 1.00 50.00 N ATOM 1175 CA ASP A 83 -8.441 -30.042 11.091 1.00 50.00 C ATOM 1176 C ASP A 83 -7.902 -31.046 12.114 1.00 50.00 C ATOM 1177 O ASP A 83 -7.527 -30.686 13.212 1.00 50.00 O ATOM 1178 CB ASP A 83 -7.519 -29.971 9.872 1.00 50.00 C ATOM 1179 CG ASP A 83 -8.355 -29.725 8.614 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -9.341 -30.420 8.436 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -7.992 -28.845 7.850 1.00 50.00 O ATOM 0 H ASP A 83 -7.786 -28.015 11.214 1.00 50.00 H new ATOM 0 HA ASP A 83 -9.446 -30.369 10.823 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -6.790 -29.170 10.000 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -6.958 -30.900 9.773 1.00 50.00 H new ATOM 1186 N MET A 84 -7.859 -32.301 11.761 1.00 50.00 N ATOM 1187 CA MET A 84 -7.342 -33.326 12.714 1.00 50.00 C ATOM 1188 C MET A 84 -5.817 -33.240 12.809 1.00 50.00 C ATOM 1189 O MET A 84 -5.103 -34.036 12.231 1.00 50.00 O ATOM 1190 CB MET A 84 -7.767 -34.668 12.119 1.00 50.00 C ATOM 1191 CG MET A 84 -7.138 -34.830 10.735 1.00 50.00 C ATOM 1192 SD MET A 84 -8.298 -35.690 9.644 1.00 50.00 S ATOM 1193 CE MET A 84 -7.064 -36.574 8.659 1.00 50.00 C ATOM 0 H MET A 84 -8.159 -32.662 10.855 1.00 50.00 H new ATOM 0 HA MET A 84 -7.730 -33.185 13.723 1.00 50.00 H new ATOM 0 HB2 MET A 84 -7.454 -35.483 12.771 1.00 50.00 H new ATOM 0 HB3 MET A 84 -8.853 -34.718 12.045 1.00 50.00 H new ATOM 0 HG2 MET A 84 -6.888 -33.853 10.321 1.00 50.00 H new ATOM 0 HG3 MET A 84 -6.207 -35.392 10.810 1.00 50.00 H new ATOM 0 HE1 MET A 84 -7.566 -37.181 7.906 1.00 50.00 H new ATOM 0 HE2 MET A 84 -6.408 -35.855 8.167 1.00 50.00 H new ATOM 0 HE3 MET A 84 -6.473 -37.218 9.310 1.00 50.00 H new ATOM 1203 N GLN A 85 -5.313 -32.279 13.532 1.00 16.66 N ATOM 1204 CA GLN A 85 -3.834 -32.141 13.663 1.00 16.66 C ATOM 1205 C GLN A 85 -3.496 -31.227 14.845 1.00 16.66 C ATOM 1206 O GLN A 85 -4.309 -30.437 15.282 1.00 16.66 O ATOM 1207 CB GLN A 85 -3.377 -31.510 12.347 1.00 16.66 C ATOM 1208 CG GLN A 85 -1.931 -31.920 12.060 1.00 16.66 C ATOM 1209 CD GLN A 85 -1.915 -33.262 11.326 1.00 16.66 C ATOM 1210 OE1 GLN A 85 -2.889 -33.988 11.342 1.00 16.66 O ATOM 1211 NE2 GLN A 85 -0.841 -33.625 10.678 1.00 16.66 N ATOM 0 H GLN A 85 -5.860 -31.583 14.038 1.00 16.66 H new ATOM 0 HA GLN A 85 -3.342 -33.096 13.847 1.00 16.66 H new ATOM 0 HB2 GLN A 85 -4.026 -31.832 11.532 1.00 16.66 H new ATOM 0 HB3 GLN A 85 -3.454 -30.424 12.406 1.00 16.66 H new ATOM 0 HG2 GLN A 85 -1.439 -31.158 11.456 1.00 16.66 H new ATOM 0 HG3 GLN A 85 -1.372 -31.997 12.993 1.00 16.66 H new ATOM 0 HE21 GLN A 85 -0.023 -33.016 10.664 1.00 16.66 H new ATOM 0 HE22 GLN A 85 -0.820 -34.518 10.185 1.00 16.66 H new ATOM 1220 N GLN A 86 -2.305 -31.329 15.367 1.00 16.66 N ATOM 1221 CA GLN A 86 -1.923 -30.464 16.519 1.00 16.66 C ATOM 1222 C GLN A 86 -0.400 -30.395 16.650 1.00 16.66 C ATOM 1223 O GLN A 86 0.209 -31.185 17.343 1.00 16.66 O ATOM 1224 CB GLN A 86 -2.538 -31.141 17.744 1.00 16.66 C ATOM 1225 CG GLN A 86 -2.015 -32.575 17.854 1.00 16.66 C ATOM 1226 CD GLN A 86 -3.151 -33.557 17.556 1.00 50.00 C ATOM 1227 OE1 GLN A 86 -4.279 -33.335 17.951 1.00 50.00 O ATOM 1228 NE2 GLN A 86 -2.900 -34.640 16.874 1.00 50.00 N ATOM 0 H GLN A 86 -1.581 -31.972 15.047 1.00 16.66 H new ATOM 0 HA GLN A 86 -2.276 -29.440 16.400 1.00 16.66 H new ATOM 0 HB2 GLN A 86 -2.288 -30.582 18.645 1.00 16.66 H new ATOM 0 HB3 GLN A 86 -3.625 -31.145 17.663 1.00 16.66 H new ATOM 0 HG2 GLN A 86 -1.194 -32.729 17.154 1.00 16.66 H new ATOM 0 HG3 GLN A 86 -1.619 -32.753 18.854 1.00 16.66 H new ATOM 0 HE21 GLN A 86 -1.953 -34.826 16.543 1.00 50.00 H new ATOM 0 HE22 GLN A 86 -3.650 -35.301 16.672 1.00 50.00 H new ATOM 1237 N ILE A 87 0.220 -29.454 15.993 1.00 12.50 N ATOM 1238 CA ILE A 87 1.703 -29.336 16.084 1.00 12.50 C ATOM 1239 C ILE A 87 2.100 -28.852 17.481 1.00 12.50 C ATOM 1240 O ILE A 87 3.204 -29.076 17.937 1.00 12.50 O ATOM 1241 CB ILE A 87 2.088 -28.301 15.025 1.00 50.00 C ATOM 1242 CG1 ILE A 87 1.639 -26.911 15.480 1.00 50.00 C ATOM 1243 CG2 ILE A 87 1.407 -28.647 13.698 1.00 50.00 C ATOM 1244 CD1 ILE A 87 2.749 -26.264 16.311 1.00 50.00 C ATOM 0 H ILE A 87 -0.235 -28.762 15.398 1.00 12.50 H new ATOM 0 HA ILE A 87 2.207 -30.288 15.918 1.00 12.50 H new ATOM 0 HB ILE A 87 3.170 -28.308 14.891 1.00 50.00 H new ATOM 0 HG12 ILE A 87 1.409 -26.290 14.614 1.00 50.00 H new ATOM 0 HG13 ILE A 87 0.726 -26.987 16.070 1.00 50.00 H new ATOM 0 HG21 ILE A 87 1.682 -27.909 12.945 1.00 50.00 H new ATOM 0 HG22 ILE A 87 1.728 -29.636 13.371 1.00 50.00 H new ATOM 0 HG23 ILE A 87 0.325 -28.643 13.832 1.00 50.00 H new ATOM 0 HD11 ILE A 87 2.430 -25.274 16.636 1.00 50.00 H new ATOM 0 HD12 ILE A 87 2.957 -26.882 17.184 1.00 50.00 H new ATOM 0 HD13 ILE A 87 3.651 -26.174 15.706 1.00 50.00 H new ATOM 1256 N LEU A 88 1.205 -28.193 18.164 1.00 12.50 N ATOM 1257 CA LEU A 88 1.524 -27.700 19.534 1.00 12.50 C ATOM 1258 C LEU A 88 1.050 -28.714 20.578 1.00 12.50 C ATOM 1259 O LEU A 88 0.517 -29.754 20.248 1.00 12.50 O ATOM 1260 CB LEU A 88 0.754 -26.386 19.672 1.00 12.50 C ATOM 1261 CG LEU A 88 -0.749 -26.667 19.617 1.00 12.50 C ATOM 1262 CD1 LEU A 88 -1.448 -25.939 20.767 1.00 12.50 C ATOM 1263 CD2 LEU A 88 -1.313 -26.172 18.284 1.00 12.50 C ATOM 0 H LEU A 88 0.266 -27.974 17.832 1.00 12.50 H new ATOM 0 HA LEU A 88 2.594 -27.560 19.687 1.00 12.50 H new ATOM 0 HB2 LEU A 88 1.010 -25.900 20.613 1.00 12.50 H new ATOM 0 HB3 LEU A 88 1.036 -25.701 18.872 1.00 12.50 H new ATOM 0 HG LEU A 88 -0.920 -27.740 19.708 1.00 12.50 H new ATOM 0 HD11 LEU A 88 -2.519 -26.140 20.727 1.00 12.50 H new ATOM 0 HD12 LEU A 88 -1.048 -26.292 21.718 1.00 12.50 H new ATOM 0 HD13 LEU A 88 -1.276 -24.866 20.677 1.00 12.50 H new ATOM 0 HD21 LEU A 88 -2.384 -26.372 18.245 1.00 12.50 H new ATOM 0 HD22 LEU A 88 -1.141 -25.100 18.192 1.00 12.50 H new ATOM 0 HD23 LEU A 88 -0.817 -26.691 17.464 1.00 12.50 H new ATOM 1275 N SER A 89 1.239 -28.419 21.834 1.00 12.50 N ATOM 1276 CA SER A 89 0.797 -29.369 22.895 1.00 12.50 C ATOM 1277 C SER A 89 -0.581 -28.964 23.424 1.00 12.50 C ATOM 1278 O SER A 89 -1.005 -27.835 23.277 1.00 12.50 O ATOM 1279 CB SER A 89 1.850 -29.251 23.998 1.00 12.50 C ATOM 1280 OG SER A 89 1.716 -30.341 24.898 1.00 12.50 O ATOM 0 H SER A 89 1.679 -27.563 22.172 1.00 12.50 H new ATOM 0 HA SER A 89 0.709 -30.390 22.524 1.00 12.50 H new ATOM 0 HB2 SER A 89 2.849 -29.246 23.563 1.00 12.50 H new ATOM 0 HB3 SER A 89 1.730 -28.308 24.531 1.00 12.50 H new ATOM 0 HG SER A 89 2.391 -30.267 25.604 1.00 12.50 H new ATOM 1286 N ASP A 90 -1.285 -29.876 24.038 1.00 10.00 N ATOM 1287 CA ASP A 90 -2.634 -29.539 24.574 1.00 10.00 C ATOM 1288 C ASP A 90 -2.530 -28.395 25.582 1.00 10.00 C ATOM 1289 O ASP A 90 -3.317 -27.472 25.574 1.00 10.00 O ATOM 1290 CB ASP A 90 -3.122 -30.816 25.259 1.00 10.00 C ATOM 1291 CG ASP A 90 -3.915 -31.661 24.262 1.00 10.00 C ATOM 1292 OD1 ASP A 90 -3.705 -31.493 23.073 1.00 10.00 O ATOM 1293 OD2 ASP A 90 -4.720 -32.463 24.705 1.00 10.00 O ATOM 0 H ASP A 90 -0.984 -30.839 24.191 1.00 10.00 H new ATOM 0 HA ASP A 90 -3.319 -29.212 23.791 1.00 10.00 H new ATOM 0 HB2 ASP A 90 -2.273 -31.384 25.639 1.00 10.00 H new ATOM 0 HB3 ASP A 90 -3.747 -30.565 26.116 1.00 10.00 H new ATOM 1298 N GLU A 91 -1.562 -28.447 26.448 1.00 12.50 N ATOM 1299 CA GLU A 91 -1.408 -27.358 27.454 1.00 12.50 C ATOM 1300 C GLU A 91 -1.286 -26.009 26.742 1.00 12.50 C ATOM 1301 O GLU A 91 -1.596 -24.973 27.296 1.00 12.50 O ATOM 1302 CB GLU A 91 -0.119 -27.689 28.205 1.00 12.50 C ATOM 1303 CG GLU A 91 -0.192 -27.111 29.619 1.00 12.50 C ATOM 1304 CD GLU A 91 0.233 -28.180 30.628 1.00 50.00 C ATOM 1305 OE1 GLU A 91 -0.249 -29.295 30.516 1.00 50.00 O ATOM 1306 OE2 GLU A 91 1.031 -27.865 31.495 1.00 50.00 O ATOM 0 H GLU A 91 -0.870 -29.194 26.505 1.00 12.50 H new ATOM 0 HA GLU A 91 -2.261 -27.290 28.129 1.00 12.50 H new ATOM 0 HB2 GLU A 91 0.022 -28.769 28.249 1.00 12.50 H new ATOM 0 HB3 GLU A 91 0.740 -27.276 27.675 1.00 12.50 H new ATOM 0 HG2 GLU A 91 0.457 -26.239 29.701 1.00 12.50 H new ATOM 0 HG3 GLU A 91 -1.206 -26.775 29.834 1.00 12.50 H new ATOM 1313 N GLU A 92 -0.843 -26.017 25.515 1.00 10.00 N ATOM 1314 CA GLU A 92 -0.705 -24.737 24.762 1.00 10.00 C ATOM 1315 C GLU A 92 -2.079 -24.256 24.292 1.00 10.00 C ATOM 1316 O GLU A 92 -2.376 -23.077 24.315 1.00 10.00 O ATOM 1317 CB GLU A 92 0.185 -25.074 23.565 1.00 50.00 C ATOM 1318 CG GLU A 92 1.477 -24.259 23.647 1.00 50.00 C ATOM 1319 CD GLU A 92 2.679 -25.186 23.450 1.00 50.00 C ATOM 1320 OE1 GLU A 92 2.758 -26.179 24.155 1.00 50.00 O ATOM 1321 OE2 GLU A 92 3.499 -24.888 22.597 1.00 50.00 O ATOM 0 H GLU A 92 -0.570 -26.854 25.000 1.00 10.00 H new ATOM 0 HA GLU A 92 -0.279 -23.940 25.372 1.00 10.00 H new ATOM 0 HB2 GLU A 92 0.414 -26.140 23.557 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -0.339 -24.853 22.635 1.00 50.00 H new ATOM 0 HG2 GLU A 92 1.477 -23.480 22.885 1.00 50.00 H new ATOM 0 HG3 GLU A 92 1.544 -23.760 24.614 1.00 50.00 H new ATOM 1328 N VAL A 93 -2.924 -25.157 23.871 1.00 10.00 N ATOM 1329 CA VAL A 93 -4.280 -24.748 23.405 1.00 10.00 C ATOM 1330 C VAL A 93 -5.158 -24.394 24.607 1.00 10.00 C ATOM 1331 O VAL A 93 -6.194 -23.773 24.473 1.00 10.00 O ATOM 1332 CB VAL A 93 -4.835 -25.971 22.671 1.00 10.00 C ATOM 1333 CG1 VAL A 93 -5.201 -27.061 23.681 1.00 10.00 C ATOM 1334 CG2 VAL A 93 -6.085 -25.570 21.886 1.00 10.00 C ATOM 0 H VAL A 93 -2.734 -26.158 23.829 1.00 10.00 H new ATOM 0 HA VAL A 93 -4.252 -23.870 22.760 1.00 10.00 H new ATOM 0 HB VAL A 93 -4.077 -26.352 21.987 1.00 10.00 H new ATOM 0 HG11 VAL A 93 -5.595 -27.929 23.153 1.00 10.00 H new ATOM 0 HG12 VAL A 93 -4.312 -27.351 24.242 1.00 10.00 H new ATOM 0 HG13 VAL A 93 -5.956 -26.681 24.369 1.00 10.00 H new ATOM 0 HG21 VAL A 93 -6.481 -26.440 21.363 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -6.839 -25.186 22.573 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -5.827 -24.797 21.161 1.00 10.00 H new ATOM 1344 N GLU A 94 -4.749 -24.789 25.782 1.00 12.50 N ATOM 1345 CA GLU A 94 -5.554 -24.482 26.998 1.00 12.50 C ATOM 1346 C GLU A 94 -4.853 -23.412 27.840 1.00 12.50 C ATOM 1347 O GLU A 94 -5.485 -22.560 28.431 1.00 12.50 O ATOM 1348 CB GLU A 94 -5.628 -25.803 27.765 1.00 12.50 C ATOM 1349 CG GLU A 94 -7.014 -25.951 28.396 1.00 12.50 C ATOM 1350 CD GLU A 94 -7.196 -27.387 28.895 1.00 12.50 C ATOM 1351 OE1 GLU A 94 -6.849 -27.647 30.034 1.00 12.50 O ATOM 1352 OE2 GLU A 94 -7.678 -28.203 28.125 1.00 12.50 O ATOM 0 H GLU A 94 -3.890 -25.312 25.952 1.00 12.50 H new ATOM 0 HA GLU A 94 -6.543 -24.095 26.753 1.00 12.50 H new ATOM 0 HB2 GLU A 94 -5.432 -26.638 27.092 1.00 12.50 H new ATOM 0 HB3 GLU A 94 -4.860 -25.830 28.538 1.00 12.50 H new ATOM 0 HG2 GLU A 94 -7.126 -25.250 29.223 1.00 12.50 H new ATOM 0 HG3 GLU A 94 -7.786 -25.708 27.666 1.00 12.50 H new ATOM 1359 N GLU A 95 -3.550 -23.454 27.901 1.00 12.50 N ATOM 1360 CA GLU A 95 -2.807 -22.442 28.706 1.00 12.50 C ATOM 1361 C GLU A 95 -2.221 -21.360 27.795 1.00 12.50 C ATOM 1362 O GLU A 95 -2.235 -20.189 28.118 1.00 12.50 O ATOM 1363 CB GLU A 95 -1.689 -23.228 29.391 1.00 25.00 C ATOM 1364 CG GLU A 95 -1.268 -22.506 30.673 1.00 25.00 C ATOM 1365 CD GLU A 95 -1.652 -23.356 31.886 1.00 50.00 C ATOM 1366 OE1 GLU A 95 -2.511 -24.209 31.739 1.00 50.00 O ATOM 1367 OE2 GLU A 95 -1.077 -23.140 32.941 1.00 50.00 O ATOM 0 H GLU A 95 -2.967 -24.145 27.428 1.00 12.50 H new ATOM 0 HA GLU A 95 -3.451 -21.934 29.424 1.00 12.50 H new ATOM 0 HB2 GLU A 95 -2.030 -24.237 29.624 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -0.836 -23.327 28.720 1.00 25.00 H new ATOM 0 HG2 GLU A 95 -0.193 -22.327 30.666 1.00 25.00 H new ATOM 0 HG3 GLU A 95 -1.753 -21.531 30.730 1.00 25.00 H new ATOM 1374 N LYS A 96 -1.705 -21.741 26.658 1.00 25.00 N ATOM 1375 CA LYS A 96 -1.118 -20.732 25.730 1.00 25.00 C ATOM 1376 C LYS A 96 -2.150 -20.313 24.678 1.00 25.00 C ATOM 1377 O LYS A 96 -1.886 -19.482 23.833 1.00 25.00 O ATOM 1378 CB LYS A 96 0.065 -21.443 25.070 1.00 25.00 C ATOM 1379 CG LYS A 96 1.099 -20.408 24.622 1.00 25.00 C ATOM 1380 CD LYS A 96 2.440 -21.102 24.377 1.00 25.00 C ATOM 1381 CE LYS A 96 3.583 -20.128 24.671 1.00 25.00 C ATOM 1382 NZ LYS A 96 3.740 -20.158 26.152 1.00 25.00 N ATOM 0 H LYS A 96 -1.664 -22.707 26.332 1.00 25.00 H new ATOM 0 HA LYS A 96 -0.810 -19.824 26.249 1.00 25.00 H new ATOM 0 HB2 LYS A 96 0.518 -22.145 25.770 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -0.278 -22.024 24.214 1.00 25.00 H new ATOM 0 HG2 LYS A 96 0.762 -19.912 23.712 1.00 25.00 H new ATOM 0 HG3 LYS A 96 1.210 -19.636 25.383 1.00 25.00 H new ATOM 0 HD2 LYS A 96 2.527 -21.983 25.013 1.00 25.00 H new ATOM 0 HD3 LYS A 96 2.499 -21.447 23.345 1.00 25.00 H new ATOM 0 HE2 LYS A 96 4.501 -20.434 24.170 1.00 25.00 H new ATOM 0 HE3 LYS A 96 3.347 -19.124 24.319 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 3.921 -19.195 26.502 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 2.870 -20.526 26.586 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 4.540 -20.774 26.404 1.00 25.00 H new ATOM 1396 N ASP A 97 -3.324 -20.881 24.728 1.00 10.00 N ATOM 1397 CA ASP A 97 -4.381 -20.516 23.734 1.00 10.00 C ATOM 1398 C ASP A 97 -3.769 -20.382 22.339 1.00 10.00 C ATOM 1399 O ASP A 97 -4.116 -19.496 21.585 1.00 10.00 O ATOM 1400 CB ASP A 97 -4.953 -19.160 24.178 1.00 50.00 C ATOM 1401 CG ASP A 97 -4.661 -18.899 25.661 1.00 50.00 C ATOM 1402 OD1 ASP A 97 -5.433 -19.358 26.486 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -3.670 -18.245 25.942 1.00 50.00 O ATOM 0 H ASP A 97 -3.600 -21.583 25.414 1.00 10.00 H new ATOM 0 HA ASP A 97 -5.156 -21.281 23.691 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -4.521 -18.363 23.573 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -6.029 -19.142 24.007 1.00 50.00 H new ATOM 1408 N VAL A 98 -2.859 -21.245 21.991 1.00 10.00 N ATOM 1409 CA VAL A 98 -2.228 -21.145 20.647 1.00 10.00 C ATOM 1410 C VAL A 98 -3.063 -21.894 19.604 1.00 10.00 C ATOM 1411 O VAL A 98 -3.805 -22.802 19.920 1.00 10.00 O ATOM 1412 CB VAL A 98 -0.853 -21.794 20.804 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -0.270 -22.097 19.422 1.00 50.00 C ATOM 1414 CG2 VAL A 98 0.080 -20.840 21.553 1.00 50.00 C ATOM 0 H VAL A 98 -2.526 -22.012 22.575 1.00 10.00 H new ATOM 0 HA VAL A 98 -2.155 -20.113 20.305 1.00 10.00 H new ATOM 0 HB VAL A 98 -0.952 -22.722 21.368 1.00 50.00 H new ATOM 0 HG11 VAL A 98 0.710 -22.560 19.534 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -0.934 -22.778 18.888 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -0.171 -21.170 18.858 1.00 50.00 H new ATOM 0 HG21 VAL A 98 1.060 -21.303 21.665 1.00 50.00 H new ATOM 0 HG22 VAL A 98 0.179 -19.912 20.990 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -0.334 -20.625 22.538 1.00 50.00 H new ATOM 1424 N ARG A 99 -2.940 -21.515 18.362 1.00 10.00 N ATOM 1425 CA ARG A 99 -3.717 -22.197 17.289 1.00 10.00 C ATOM 1426 C ARG A 99 -3.071 -21.923 15.929 1.00 10.00 C ATOM 1427 O ARG A 99 -2.192 -21.094 15.806 1.00 10.00 O ATOM 1428 CB ARG A 99 -5.114 -21.578 17.351 1.00 50.00 C ATOM 1429 CG ARG A 99 -6.166 -22.674 17.170 1.00 50.00 C ATOM 1430 CD ARG A 99 -6.482 -23.306 18.527 1.00 50.00 C ATOM 1431 NE ARG A 99 -7.696 -24.137 18.290 1.00 50.00 N ATOM 1432 CZ ARG A 99 -8.231 -24.804 19.275 1.00 50.00 C ATOM 1433 NH1 ARG A 99 -8.102 -24.372 20.500 1.00 50.00 N ATOM 1434 NH2 ARG A 99 -8.894 -25.903 19.039 1.00 50.00 N ATOM 0 H ARG A 99 -2.333 -20.760 18.043 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.748 -23.278 17.422 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -5.258 -21.075 18.307 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -5.223 -20.822 16.573 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -7.072 -22.255 16.732 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -5.800 -23.434 16.479 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -5.650 -23.914 18.883 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -6.667 -22.544 19.284 1.00 50.00 H new ATOM 0 HE ARG A 99 -8.108 -24.184 17.358 1.00 50.00 H new ATOM 0 HH11 ARG A 99 -7.583 -23.514 20.686 1.00 50.00 H new ATOM 0 HH12 ARG A 99 -8.520 -24.893 21.271 1.00 50.00 H new ATOM 0 HH21 ARG A 99 -8.995 -26.242 18.082 1.00 50.00 H new ATOM 0 HH22 ARG A 99 -9.311 -26.423 19.811 1.00 50.00 H new ATOM 1448 N LEU A 100 -3.498 -22.610 14.907 1.00 10.00 N ATOM 1449 CA LEU A 100 -2.903 -22.381 13.559 1.00 10.00 C ATOM 1450 C LEU A 100 -3.786 -21.430 12.749 1.00 10.00 C ATOM 1451 O LEU A 100 -4.858 -21.789 12.307 1.00 10.00 O ATOM 1452 CB LEU A 100 -2.854 -23.762 12.907 1.00 10.00 C ATOM 1453 CG LEU A 100 -1.588 -24.491 13.360 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -1.710 -24.851 14.842 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -1.411 -25.769 12.538 1.00 10.00 C ATOM 0 H LEU A 100 -4.231 -23.318 14.945 1.00 10.00 H new ATOM 0 HA LEU A 100 -1.915 -21.925 13.614 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -3.737 -24.338 13.182 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -2.863 -23.665 11.821 1.00 10.00 H new ATOM 0 HG LEU A 100 -0.724 -23.843 13.213 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -0.808 -25.371 15.166 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -1.835 -23.941 15.428 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -2.574 -25.499 14.989 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -0.509 -26.288 12.862 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -2.275 -26.418 12.684 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -1.324 -25.513 11.482 1.00 10.00 H new ATOM 1467 N THR A 101 -3.347 -20.217 12.553 1.00 10.00 N ATOM 1468 CA THR A 101 -4.167 -19.247 11.774 1.00 10.00 C ATOM 1469 C THR A 101 -4.259 -19.692 10.314 1.00 10.00 C ATOM 1470 O THR A 101 -5.255 -19.481 9.651 1.00 10.00 O ATOM 1471 CB THR A 101 -3.419 -17.918 11.886 1.00 10.00 C ATOM 1472 OG1 THR A 101 -2.127 -18.054 11.311 1.00 10.00 O ATOM 1473 CG2 THR A 101 -3.287 -17.530 13.359 1.00 10.00 C ATOM 0 H THR A 101 -2.457 -19.856 12.898 1.00 10.00 H new ATOM 0 HA THR A 101 -5.188 -19.171 12.148 1.00 10.00 H new ATOM 0 HB THR A 101 -3.972 -17.142 11.356 1.00 10.00 H new ATOM 0 HG1 THR A 101 -1.458 -18.127 12.023 1.00 10.00 H new ATOM 0 HG21 THR A 101 -2.754 -16.583 13.439 1.00 10.00 H new ATOM 0 HG22 THR A 101 -4.279 -17.426 13.798 1.00 10.00 H new ATOM 0 HG23 THR A 101 -2.734 -18.304 13.891 1.00 10.00 H new ATOM 1481 N CYS A 102 -3.229 -20.313 9.809 1.00 10.00 N ATOM 1482 CA CYS A 102 -3.261 -20.779 8.394 1.00 10.00 C ATOM 1483 C CYS A 102 -4.095 -22.060 8.285 1.00 10.00 C ATOM 1484 O CYS A 102 -4.473 -22.478 7.209 1.00 10.00 O ATOM 1485 CB CYS A 102 -1.796 -21.038 8.024 1.00 10.00 C ATOM 1486 SG CYS A 102 -1.219 -22.560 8.818 1.00 10.00 S ATOM 0 H CYS A 102 -2.367 -20.518 10.315 1.00 10.00 H new ATOM 0 HA CYS A 102 -3.717 -20.050 7.723 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -1.694 -21.121 6.942 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -1.178 -20.197 8.338 1.00 10.00 H new ATOM 1491 N ILE A 103 -4.376 -22.691 9.394 1.00 10.00 N ATOM 1492 CA ILE A 103 -5.178 -23.950 9.359 1.00 10.00 C ATOM 1493 C ILE A 103 -6.275 -23.919 10.428 1.00 10.00 C ATOM 1494 O ILE A 103 -6.824 -24.937 10.797 1.00 10.00 O ATOM 1495 CB ILE A 103 -4.171 -25.057 9.669 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -3.206 -25.209 8.491 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -4.910 -26.377 9.911 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -3.884 -25.989 7.359 1.00 50.00 C ATOM 0 H ILE A 103 -4.085 -22.389 10.324 1.00 10.00 H new ATOM 0 HA ILE A 103 -5.676 -24.094 8.400 1.00 10.00 H new ATOM 0 HB ILE A 103 -3.609 -24.797 10.566 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -2.897 -24.227 8.133 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -2.304 -25.729 8.813 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -4.188 -27.163 10.132 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -5.591 -26.263 10.754 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -5.477 -26.645 9.020 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -3.192 -26.094 6.524 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -4.170 -26.977 7.719 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -4.773 -25.452 7.028 1.00 50.00 H new ATOM 1510 N GLY A 104 -6.593 -22.763 10.938 1.00 10.00 N ATOM 1511 CA GLY A 104 -7.644 -22.692 11.989 1.00 10.00 C ATOM 1512 C GLY A 104 -8.742 -21.712 11.571 1.00 10.00 C ATOM 1513 O GLY A 104 -8.476 -20.638 11.069 1.00 10.00 O ATOM 0 H GLY A 104 -6.174 -21.871 10.675 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -8.072 -23.681 12.153 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -7.203 -22.374 12.934 1.00 10.00 H new ATOM 1517 N SER A 105 -9.977 -22.075 11.788 1.00 10.00 N ATOM 1518 CA SER A 105 -11.103 -21.170 11.420 1.00 10.00 C ATOM 1519 C SER A 105 -11.972 -20.905 12.654 1.00 10.00 C ATOM 1520 O SER A 105 -12.184 -21.787 13.462 1.00 10.00 O ATOM 1521 CB SER A 105 -11.893 -21.931 10.355 1.00 10.00 C ATOM 1522 OG SER A 105 -11.000 -22.436 9.373 1.00 10.00 O ATOM 0 H SER A 105 -10.255 -22.963 12.206 1.00 10.00 H new ATOM 0 HA SER A 105 -10.762 -20.203 11.051 1.00 10.00 H new ATOM 0 HB2 SER A 105 -12.447 -22.750 10.814 1.00 10.00 H new ATOM 0 HB3 SER A 105 -12.626 -21.272 9.890 1.00 10.00 H new ATOM 0 HG SER A 105 -11.506 -22.925 8.691 1.00 10.00 H new ATOM 1528 N PRO A 106 -12.441 -19.692 12.761 1.00 10.00 N ATOM 1529 CA PRO A 106 -13.289 -19.305 13.916 1.00 10.00 C ATOM 1530 C PRO A 106 -14.659 -19.981 13.828 1.00 10.00 C ATOM 1531 O PRO A 106 -15.403 -19.782 12.889 1.00 10.00 O ATOM 1532 CB PRO A 106 -13.411 -17.790 13.780 1.00 10.00 C ATOM 1533 CG PRO A 106 -13.181 -17.516 12.329 1.00 10.00 C ATOM 1534 CD PRO A 106 -12.234 -18.577 11.830 1.00 10.00 C ATOM 0 HA PRO A 106 -12.870 -19.606 14.876 1.00 10.00 H new ATOM 0 HB2 PRO A 106 -14.394 -17.443 14.097 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -12.676 -17.277 14.401 1.00 10.00 H new ATOM 0 HG2 PRO A 106 -14.120 -17.545 11.777 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -12.758 -16.522 12.186 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -12.460 -18.865 10.803 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -11.201 -18.230 11.844 1.00 10.00 H new ATOM 1542 N ALA A 107 -14.995 -20.784 14.803 1.00 10.00 N ATOM 1543 CA ALA A 107 -16.315 -21.477 14.779 1.00 10.00 C ATOM 1544 C ALA A 107 -17.339 -20.693 15.603 1.00 10.00 C ATOM 1545 O ALA A 107 -18.486 -20.560 15.223 1.00 10.00 O ATOM 1546 CB ALA A 107 -16.056 -22.844 15.412 1.00 50.00 C ATOM 0 H ALA A 107 -14.412 -20.989 15.614 1.00 10.00 H new ATOM 0 HA ALA A 107 -16.717 -21.563 13.769 1.00 10.00 H new ATOM 0 HB1 ALA A 107 -16.983 -23.417 15.431 1.00 50.00 H new ATOM 0 HB2 ALA A 107 -15.310 -23.381 14.826 1.00 50.00 H new ATOM 0 HB3 ALA A 107 -15.691 -22.710 16.430 1.00 50.00 H new ATOM 1552 N ALA A 108 -16.932 -20.176 16.726 1.00 10.00 N ATOM 1553 CA ALA A 108 -17.878 -19.400 17.578 1.00 10.00 C ATOM 1554 C ALA A 108 -18.138 -18.023 16.960 1.00 10.00 C ATOM 1555 O ALA A 108 -17.419 -17.578 16.088 1.00 10.00 O ATOM 1556 CB ALA A 108 -17.172 -19.256 18.927 1.00 50.00 C ATOM 0 H ALA A 108 -15.984 -20.256 17.093 1.00 10.00 H new ATOM 0 HA ALA A 108 -18.845 -19.894 17.675 1.00 10.00 H new ATOM 0 HB1 ALA A 108 -17.807 -18.694 19.612 1.00 50.00 H new ATOM 0 HB2 ALA A 108 -16.976 -20.244 19.342 1.00 50.00 H new ATOM 0 HB3 ALA A 108 -16.229 -18.727 18.790 1.00 50.00 H new ATOM 1562 N ASP A 109 -19.160 -17.345 17.406 1.00 50.00 N ATOM 1563 CA ASP A 109 -19.462 -15.998 16.844 1.00 50.00 C ATOM 1564 C ASP A 109 -18.432 -14.981 17.340 1.00 50.00 C ATOM 1565 O ASP A 109 -17.567 -14.548 16.604 1.00 50.00 O ATOM 1566 CB ASP A 109 -20.855 -15.651 17.370 1.00 50.00 C ATOM 1567 CG ASP A 109 -21.908 -16.080 16.347 1.00 50.00 C ATOM 1568 OD1 ASP A 109 -21.985 -17.265 16.067 1.00 50.00 O ATOM 1569 OD2 ASP A 109 -22.620 -15.217 15.861 1.00 50.00 O ATOM 0 H ASP A 109 -19.798 -17.665 18.134 1.00 50.00 H new ATOM 0 HA ASP A 109 -19.425 -15.985 15.755 1.00 50.00 H new ATOM 0 HB2 ASP A 109 -21.031 -16.153 18.322 1.00 50.00 H new ATOM 0 HB3 ASP A 109 -20.929 -14.580 17.556 1.00 50.00 H new ATOM 1574 N GLU A 110 -18.515 -14.599 18.585 1.00 10.00 N ATOM 1575 CA GLU A 110 -17.538 -13.613 19.131 1.00 10.00 C ATOM 1576 C GLU A 110 -16.315 -14.342 19.693 1.00 10.00 C ATOM 1577 O GLU A 110 -16.389 -15.004 20.709 1.00 10.00 O ATOM 1578 CB GLU A 110 -18.290 -12.888 20.247 1.00 10.00 C ATOM 1579 CG GLU A 110 -18.693 -11.493 19.767 1.00 10.00 C ATOM 1580 CD GLU A 110 -19.477 -10.781 20.872 1.00 50.00 C ATOM 1581 OE1 GLU A 110 -20.659 -11.052 21.001 1.00 50.00 O ATOM 1582 OE2 GLU A 110 -18.880 -9.976 21.569 1.00 50.00 O ATOM 0 H GLU A 110 -19.217 -14.927 19.248 1.00 10.00 H new ATOM 0 HA GLU A 110 -17.176 -12.922 18.369 1.00 10.00 H new ATOM 0 HB2 GLU A 110 -19.175 -13.456 20.532 1.00 10.00 H new ATOM 0 HB3 GLU A 110 -17.661 -12.812 21.134 1.00 10.00 H new ATOM 0 HG2 GLU A 110 -17.806 -10.916 19.506 1.00 10.00 H new ATOM 0 HG3 GLU A 110 -19.301 -11.568 18.865 1.00 10.00 H new ATOM 1589 N VAL A 111 -15.190 -14.229 19.040 1.00 10.00 N ATOM 1590 CA VAL A 111 -13.968 -14.920 19.540 1.00 10.00 C ATOM 1591 C VAL A 111 -12.804 -13.931 19.654 1.00 10.00 C ATOM 1592 O VAL A 111 -12.592 -13.104 18.790 1.00 10.00 O ATOM 1593 CB VAL A 111 -13.660 -15.988 18.490 1.00 12.50 C ATOM 1594 CG1 VAL A 111 -12.444 -16.805 18.935 1.00 12.50 C ATOM 1595 CG2 VAL A 111 -14.869 -16.914 18.337 1.00 12.50 C ATOM 0 H VAL A 111 -15.065 -13.689 18.184 1.00 10.00 H new ATOM 0 HA VAL A 111 -14.116 -15.350 20.531 1.00 10.00 H new ATOM 0 HB VAL A 111 -13.445 -15.509 17.535 1.00 12.50 H new ATOM 0 HG11 VAL A 111 -12.224 -17.567 18.187 1.00 12.50 H new ATOM 0 HG12 VAL A 111 -11.583 -16.145 19.046 1.00 12.50 H new ATOM 0 HG13 VAL A 111 -12.658 -17.285 19.890 1.00 12.50 H new ATOM 0 HG21 VAL A 111 -14.651 -17.676 17.589 1.00 12.50 H new ATOM 0 HG22 VAL A 111 -15.083 -17.394 19.292 1.00 12.50 H new ATOM 0 HG23 VAL A 111 -15.735 -16.332 18.021 1.00 12.50 H new ATOM 1605 N LYS A 112 -12.046 -14.016 20.714 1.00 10.00 N ATOM 1606 CA LYS A 112 -10.893 -13.087 20.886 1.00 10.00 C ATOM 1607 C LYS A 112 -9.578 -13.851 20.706 1.00 10.00 C ATOM 1608 O LYS A 112 -9.437 -14.971 21.155 1.00 10.00 O ATOM 1609 CB LYS A 112 -11.021 -12.558 22.315 1.00 25.00 C ATOM 1610 CG LYS A 112 -12.356 -11.825 22.470 1.00 25.00 C ATOM 1611 CD LYS A 112 -12.374 -11.074 23.803 1.00 25.00 C ATOM 1612 CE LYS A 112 -13.675 -11.382 24.547 1.00 25.00 C ATOM 1613 NZ LYS A 112 -14.601 -10.278 24.173 1.00 25.00 N ATOM 0 H LYS A 112 -12.176 -14.690 21.469 1.00 10.00 H new ATOM 0 HA LYS A 112 -10.895 -12.278 20.155 1.00 10.00 H new ATOM 0 HB2 LYS A 112 -10.962 -13.382 23.026 1.00 25.00 H new ATOM 0 HB3 LYS A 112 -10.195 -11.883 22.540 1.00 25.00 H new ATOM 0 HG2 LYS A 112 -12.498 -11.127 21.645 1.00 25.00 H new ATOM 0 HG3 LYS A 112 -13.181 -12.537 22.430 1.00 25.00 H new ATOM 0 HD2 LYS A 112 -11.518 -11.369 24.410 1.00 25.00 H new ATOM 0 HD3 LYS A 112 -12.288 -10.001 23.629 1.00 25.00 H new ATOM 0 HE2 LYS A 112 -14.078 -12.352 24.254 1.00 25.00 H new ATOM 0 HE3 LYS A 112 -13.515 -11.416 25.625 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 -15.517 -10.418 24.645 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 -14.194 -9.368 24.470 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 -14.739 -10.275 23.142 1.00 25.00 H new ATOM 1627 N ILE A 113 -8.617 -13.259 20.049 1.00 10.00 N ATOM 1628 CA ILE A 113 -7.314 -13.955 19.838 1.00 10.00 C ATOM 1629 C ILE A 113 -6.210 -12.952 19.505 1.00 10.00 C ATOM 1630 O ILE A 113 -6.459 -11.894 18.960 1.00 10.00 O ATOM 1631 CB ILE A 113 -7.552 -14.893 18.655 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -6.219 -15.497 18.208 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -8.165 -14.103 17.498 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -6.481 -16.662 17.252 1.00 10.00 C ATOM 0 H ILE A 113 -8.678 -12.323 19.649 1.00 10.00 H new ATOM 0 HA ILE A 113 -6.992 -14.490 20.732 1.00 10.00 H new ATOM 0 HB ILE A 113 -8.231 -15.691 18.953 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -5.611 -14.738 17.715 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -5.656 -15.844 19.075 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -8.336 -14.769 16.653 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -9.113 -13.669 17.816 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -7.483 -13.306 17.200 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -5.531 -17.092 16.934 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -7.072 -17.424 17.760 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -7.026 -16.301 16.380 1.00 10.00 H new ATOM 1646 N VAL A 114 -4.988 -13.286 19.813 1.00 10.00 N ATOM 1647 CA VAL A 114 -3.862 -12.366 19.499 1.00 10.00 C ATOM 1648 C VAL A 114 -3.148 -12.862 18.233 1.00 10.00 C ATOM 1649 O VAL A 114 -2.953 -14.047 18.048 1.00 10.00 O ATOM 1650 CB VAL A 114 -2.950 -12.420 20.740 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -1.471 -12.458 20.333 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -3.198 -11.176 21.596 1.00 50.00 C ATOM 0 H VAL A 114 -4.721 -14.158 20.269 1.00 10.00 H new ATOM 0 HA VAL A 114 -4.176 -11.342 19.298 1.00 10.00 H new ATOM 0 HB VAL A 114 -3.181 -13.325 21.302 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -0.848 -12.496 21.227 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -1.284 -13.342 19.723 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -1.228 -11.563 19.759 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -2.556 -11.206 22.477 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -2.973 -10.283 21.013 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -4.242 -11.152 21.909 1.00 50.00 H new ATOM 1662 N TYR A 115 -2.767 -11.968 17.359 1.00 10.00 N ATOM 1663 CA TYR A 115 -2.080 -12.406 16.109 1.00 10.00 C ATOM 1664 C TYR A 115 -0.569 -12.143 16.198 1.00 10.00 C ATOM 1665 O TYR A 115 -0.116 -11.326 16.976 1.00 10.00 O ATOM 1666 CB TYR A 115 -2.748 -11.590 14.982 1.00 50.00 C ATOM 1667 CG TYR A 115 -1.955 -10.340 14.661 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -1.747 -9.362 15.643 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -1.427 -10.161 13.375 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -1.014 -8.210 15.341 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -0.692 -9.007 13.073 1.00 50.00 C ATOM 1672 CZ TYR A 115 -0.485 -8.033 14.056 1.00 50.00 C ATOM 1673 OH TYR A 115 0.239 -6.896 13.759 1.00 50.00 O ATOM 0 H TYR A 115 -2.900 -10.961 17.455 1.00 10.00 H new ATOM 0 HA TYR A 115 -2.177 -13.477 15.931 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -2.836 -12.207 14.087 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -3.760 -11.315 15.280 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -2.153 -9.498 16.634 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -1.587 -10.913 12.616 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -0.856 -7.457 16.099 1.00 50.00 H new ATOM 0 HE2 TYR A 115 -0.285 -8.869 12.082 1.00 50.00 H new ATOM 0 HH TYR A 115 0.431 -6.405 14.585 1.00 50.00 H new ATOM 1683 N ASN A 116 0.206 -12.842 15.408 1.00 10.00 N ATOM 1684 CA ASN A 116 1.691 -12.661 15.428 1.00 10.00 C ATOM 1685 C ASN A 116 2.290 -13.318 16.675 1.00 10.00 C ATOM 1686 O ASN A 116 2.953 -12.679 17.468 1.00 10.00 O ATOM 1687 CB ASN A 116 1.927 -11.147 15.449 1.00 10.00 C ATOM 1688 CG ASN A 116 2.867 -10.763 14.303 1.00 10.00 C ATOM 1689 OD1 ASN A 116 2.876 -11.401 13.269 1.00 10.00 O ATOM 1690 ND2 ASN A 116 3.663 -9.740 14.444 1.00 10.00 N ATOM 0 H ASN A 116 -0.130 -13.538 14.742 1.00 10.00 H new ATOM 0 HA ASN A 116 2.166 -13.126 14.564 1.00 10.00 H new ATOM 0 HB2 ASN A 116 0.979 -10.619 15.349 1.00 10.00 H new ATOM 0 HB3 ASN A 116 2.359 -10.848 16.404 1.00 10.00 H new ATOM 0 HD21 ASN A 116 4.293 -9.476 13.686 1.00 10.00 H new ATOM 0 HD22 ASN A 116 3.656 -9.204 15.312 1.00 10.00 H new ATOM 1697 N ALA A 117 2.065 -14.593 16.853 1.00 10.00 N ATOM 1698 CA ALA A 117 2.628 -15.293 18.047 1.00 10.00 C ATOM 1699 C ALA A 117 4.130 -15.522 17.864 1.00 10.00 C ATOM 1700 O ALA A 117 4.879 -15.576 18.820 1.00 10.00 O ATOM 1701 CB ALA A 117 1.887 -16.628 18.115 1.00 50.00 C ATOM 0 H ALA A 117 1.517 -15.180 16.225 1.00 10.00 H new ATOM 0 HA ALA A 117 2.503 -14.713 18.961 1.00 10.00 H new ATOM 0 HB1 ALA A 117 2.247 -17.201 18.970 1.00 50.00 H new ATOM 0 HB2 ALA A 117 0.818 -16.446 18.225 1.00 50.00 H new ATOM 0 HB3 ALA A 117 2.067 -17.191 17.199 1.00 50.00 H new HETATM 1707 OH ALY A 118 9.696 -12.194 13.062 1.00 0.00 O HETATM 1708 CH ALY A 118 8.838 -11.675 12.378 1.00 0.00 C HETATM 1709 CH3 ALY A 118 9.191 -10.627 11.321 1.00 0.00 C HETATM 1710 NZ ALY A 118 7.579 -11.988 12.518 1.00 50.00 N HETATM 1711 CE ALY A 118 7.332 -13.351 13.066 1.00 50.00 C HETATM 1712 CD ALY A 118 6.582 -13.115 14.379 1.00 12.50 C HETATM 1713 CG ALY A 118 5.541 -14.218 14.580 1.00 12.50 C HETATM 1714 CB ALY A 118 6.247 -15.533 14.927 1.00 12.50 C HETATM 1715 CA ALY A 118 6.029 -15.866 16.404 1.00 12.50 C HETATM 1716 N ALY A 118 4.574 -15.649 16.646 1.00 12.50 N HETATM 1717 C ALY A 118 6.852 -14.931 17.294 1.00 12.50 C HETATM 1718 O ALY A 118 7.982 -15.218 17.635 1.00 12.50 O HETATM 0 HH33 ALY A 118 9.678 -9.777 11.800 1.00 0.00 H new HETATM 0 HH32 ALY A 118 9.866 -11.065 10.586 1.00 0.00 H new HETATM 0 HH31 ALY A 118 8.281 -10.291 10.823 1.00 0.00 H new HETATM 0 HZ ALY A 118 6.823 -11.349 12.271 1.00 50.00 H new HETATM 0 HG3 ALY A 118 4.946 -14.340 13.675 1.00 12.50 H new HETATM 0 HG2 ALY A 118 4.853 -13.941 15.378 1.00 12.50 H new HETATM 0 HE3 ALY A 118 8.267 -13.885 13.235 1.00 50.00 H new HETATM 0 HE2 ALY A 118 6.741 -13.954 12.376 1.00 50.00 H new HETATM 0 HD3 ALY A 118 6.095 -12.140 14.361 1.00 12.50 H new HETATM 0 HD2 ALY A 118 7.283 -13.106 15.214 1.00 12.50 H new HETATM 0 HCA ALY A 118 6.339 -16.885 16.636 1.00 12.50 H new HETATM 0 HB3 ALY A 118 7.313 -15.450 14.717 1.00 12.50 H new HETATM 0 HB2 ALY A 118 5.861 -16.339 14.303 1.00 12.50 H new HETATM 0 H ALY A 118 3.971 -15.340 15.884 1.00 12.50 H new ATOM 1732 N HIS A 119 6.292 -13.815 17.675 1.00 50.00 N ATOM 1733 CA HIS A 119 7.042 -12.866 18.544 1.00 50.00 C ATOM 1734 C HIS A 119 7.385 -13.536 19.876 1.00 50.00 C ATOM 1735 O HIS A 119 8.323 -13.154 20.547 1.00 50.00 O ATOM 1736 CB HIS A 119 6.094 -11.688 18.758 1.00 50.00 C ATOM 1737 CG HIS A 119 6.164 -10.769 17.570 1.00 50.00 C ATOM 1738 ND1 HIS A 119 7.368 -10.296 17.070 1.00 50.00 N ATOM 1739 CD2 HIS A 119 5.189 -10.228 16.768 1.00 50.00 C ATOM 1740 CE1 HIS A 119 7.089 -9.509 16.015 1.00 50.00 C ATOM 1741 NE2 HIS A 119 5.776 -9.433 15.788 1.00 50.00 N ATOM 0 H HIS A 119 5.349 -13.520 17.422 1.00 50.00 H new ATOM 0 HA HIS A 119 7.984 -12.548 18.097 1.00 50.00 H new ATOM 0 HB2 HIS A 119 5.074 -12.048 18.894 1.00 50.00 H new ATOM 0 HB3 HIS A 119 6.365 -11.149 19.666 1.00 50.00 H new ATOM 0 HD1 HIS A 119 8.297 -10.507 17.436 1.00 50.00 H new ATOM 0 HD2 HIS A 119 4.128 -10.394 16.881 1.00 50.00 H new ATOM 0 HE1 HIS A 119 7.836 -9.001 15.424 1.00 50.00 H new ATOM 1749 N LEU A 120 6.632 -14.534 20.261 1.00 12.50 N ATOM 1750 CA LEU A 120 6.917 -15.236 21.549 1.00 12.50 C ATOM 1751 C LEU A 120 8.429 -15.406 21.733 1.00 12.50 C ATOM 1752 O LEU A 120 9.028 -16.327 21.214 1.00 12.50 O ATOM 1753 CB LEU A 120 6.238 -16.599 21.416 1.00 12.50 C ATOM 1754 CG LEU A 120 5.392 -16.876 22.661 1.00 12.50 C ATOM 1755 CD1 LEU A 120 6.309 -17.062 23.872 1.00 12.50 C ATOM 1756 CD2 LEU A 120 4.447 -15.699 22.910 1.00 12.50 C ATOM 0 H LEU A 120 5.832 -14.893 19.740 1.00 12.50 H new ATOM 0 HA LEU A 120 6.551 -14.681 22.413 1.00 12.50 H new ATOM 0 HB2 LEU A 120 5.610 -16.618 20.526 1.00 12.50 H new ATOM 0 HB3 LEU A 120 6.989 -17.380 21.293 1.00 12.50 H new ATOM 0 HG LEU A 120 4.807 -17.783 22.507 1.00 12.50 H new ATOM 0 HD11 LEU A 120 5.706 -17.259 24.758 1.00 12.50 H new ATOM 0 HD12 LEU A 120 6.980 -17.903 23.695 1.00 12.50 H new ATOM 0 HD13 LEU A 120 6.896 -16.156 24.027 1.00 12.50 H new ATOM 0 HD21 LEU A 120 3.845 -15.897 23.797 1.00 12.50 H new ATOM 0 HD22 LEU A 120 5.030 -14.791 23.063 1.00 12.50 H new ATOM 0 HD23 LEU A 120 3.792 -15.570 22.048 1.00 12.50 H new ATOM 1768 N ASP A 121 9.049 -14.517 22.459 1.00 50.00 N ATOM 1769 CA ASP A 121 10.523 -14.615 22.672 1.00 50.00 C ATOM 1770 C ASP A 121 10.936 -16.064 22.954 1.00 50.00 C ATOM 1771 O ASP A 121 12.022 -16.486 22.610 1.00 50.00 O ATOM 1772 CB ASP A 121 10.802 -13.731 23.888 1.00 50.00 C ATOM 1773 CG ASP A 121 12.310 -13.507 24.019 1.00 50.00 C ATOM 1774 OD1 ASP A 121 13.056 -14.407 23.671 1.00 50.00 O ATOM 1775 OD2 ASP A 121 12.693 -12.438 24.465 1.00 50.00 O ATOM 0 H ASP A 121 8.598 -13.724 22.916 1.00 50.00 H new ATOM 0 HA ASP A 121 11.085 -14.298 21.794 1.00 50.00 H new ATOM 0 HB2 ASP A 121 10.289 -12.775 23.782 1.00 50.00 H new ATOM 0 HB3 ASP A 121 10.414 -14.202 24.791 1.00 50.00 H new ATOM 1780 N TYR A 122 10.085 -16.828 23.582 1.00 16.66 N ATOM 1781 CA TYR A 122 10.442 -18.244 23.888 1.00 16.66 C ATOM 1782 C TYR A 122 10.432 -19.090 22.612 1.00 16.66 C ATOM 1783 O TYR A 122 10.831 -20.237 22.615 1.00 16.66 O ATOM 1784 CB TYR A 122 9.364 -18.723 24.858 1.00 16.66 C ATOM 1785 CG TYR A 122 10.004 -19.096 26.174 1.00 16.66 C ATOM 1786 CD1 TYR A 122 10.795 -20.247 26.267 1.00 16.66 C ATOM 1787 CD2 TYR A 122 9.809 -18.288 27.300 1.00 16.66 C ATOM 1788 CE1 TYR A 122 11.390 -20.591 27.486 1.00 16.66 C ATOM 1789 CE2 TYR A 122 10.404 -18.633 28.520 1.00 16.66 C ATOM 1790 CZ TYR A 122 11.194 -19.785 28.613 1.00 16.66 C ATOM 1791 OH TYR A 122 11.782 -20.124 29.814 1.00 16.66 O ATOM 0 H TYR A 122 9.160 -16.535 23.896 1.00 16.66 H new ATOM 0 HA TYR A 122 11.442 -18.331 24.312 1.00 16.66 H new ATOM 0 HB2 TYR A 122 8.622 -17.939 25.011 1.00 16.66 H new ATOM 0 HB3 TYR A 122 8.839 -19.582 24.440 1.00 16.66 H new ATOM 0 HD1 TYR A 122 10.946 -20.870 25.398 1.00 16.66 H new ATOM 0 HD2 TYR A 122 9.200 -17.399 27.228 1.00 16.66 H new ATOM 0 HE1 TYR A 122 12.001 -21.479 27.557 1.00 16.66 H new ATOM 0 HE2 TYR A 122 10.253 -18.010 29.389 1.00 16.66 H new ATOM 0 HH TYR A 122 11.546 -19.458 30.493 1.00 16.66 H new ATOM 1801 N LEU A 123 9.977 -18.537 21.521 1.00 50.00 N ATOM 1802 CA LEU A 123 9.943 -19.318 20.252 1.00 50.00 C ATOM 1803 C LEU A 123 10.626 -18.534 19.127 1.00 50.00 C ATOM 1804 O LEU A 123 11.267 -19.100 18.263 1.00 50.00 O ATOM 1805 CB LEU A 123 8.458 -19.512 19.945 1.00 50.00 C ATOM 1806 CG LEU A 123 7.938 -20.737 20.701 1.00 50.00 C ATOM 1807 CD1 LEU A 123 6.927 -20.292 21.760 1.00 50.00 C ATOM 1808 CD2 LEU A 123 7.261 -21.695 19.720 1.00 50.00 C ATOM 0 H LEU A 123 9.628 -17.581 21.453 1.00 50.00 H new ATOM 0 HA LEU A 123 10.469 -20.269 20.340 1.00 50.00 H new ATOM 0 HB2 LEU A 123 7.896 -18.625 20.237 1.00 50.00 H new ATOM 0 HB3 LEU A 123 8.311 -19.643 18.873 1.00 50.00 H new ATOM 0 HG LEU A 123 8.772 -21.245 21.185 1.00 50.00 H new ATOM 0 HD11 LEU A 123 6.556 -21.164 22.299 1.00 50.00 H new ATOM 0 HD12 LEU A 123 7.410 -19.611 22.461 1.00 50.00 H new ATOM 0 HD13 LEU A 123 6.093 -19.783 21.276 1.00 50.00 H new ATOM 0 HD21 LEU A 123 6.891 -22.567 20.260 1.00 50.00 H new ATOM 0 HD22 LEU A 123 6.427 -21.189 19.234 1.00 50.00 H new ATOM 0 HD23 LEU A 123 7.981 -22.013 18.967 1.00 50.00 H new ATOM 1820 N GLN A 124 10.494 -17.236 19.128 1.00 50.00 N ATOM 1821 CA GLN A 124 11.134 -16.419 18.056 1.00 50.00 C ATOM 1822 C GLN A 124 12.598 -16.826 17.881 1.00 50.00 C ATOM 1823 O GLN A 124 13.109 -16.890 16.781 1.00 50.00 O ATOM 1824 CB GLN A 124 11.033 -14.974 18.545 1.00 50.00 C ATOM 1825 CG GLN A 124 11.892 -14.071 17.658 1.00 50.00 C ATOM 1826 CD GLN A 124 11.191 -13.855 16.316 1.00 50.00 C ATOM 1827 OE1 GLN A 124 10.650 -12.797 16.063 1.00 50.00 O ATOM 1828 NE2 GLN A 124 11.175 -14.821 15.438 1.00 50.00 N ATOM 0 H GLN A 124 9.971 -16.705 19.824 1.00 50.00 H new ATOM 0 HA GLN A 124 10.650 -16.557 17.089 1.00 50.00 H new ATOM 0 HB2 GLN A 124 9.995 -14.643 18.521 1.00 50.00 H new ATOM 0 HB3 GLN A 124 11.365 -14.906 19.581 1.00 50.00 H new ATOM 0 HG2 GLN A 124 12.060 -13.113 18.151 1.00 50.00 H new ATOM 0 HG3 GLN A 124 12.871 -14.524 17.500 1.00 50.00 H new ATOM 0 HE21 GLN A 124 11.629 -15.710 15.649 1.00 50.00 H new ATOM 0 HE22 GLN A 124 10.709 -14.687 14.541 1.00 50.00 H new ATOM 1837 N ASN A 125 13.278 -17.100 18.958 1.00 50.00 N ATOM 1838 CA ASN A 125 14.711 -17.500 18.855 1.00 50.00 C ATOM 1839 C ASN A 125 14.844 -18.799 18.053 1.00 50.00 C ATOM 1840 O ASN A 125 15.886 -19.097 17.504 1.00 50.00 O ATOM 1841 CB ASN A 125 15.169 -17.711 20.298 1.00 50.00 C ATOM 1842 CG ASN A 125 16.699 -17.732 20.349 1.00 50.00 C ATOM 1843 OD1 ASN A 125 17.287 -18.627 20.924 1.00 50.00 O ATOM 1844 ND2 ASN A 125 17.372 -16.777 19.767 1.00 50.00 N ATOM 0 H ASN A 125 12.905 -17.065 19.907 1.00 50.00 H new ATOM 0 HA ASN A 125 15.312 -16.749 18.342 1.00 50.00 H new ATOM 0 HB2 ASN A 125 14.784 -16.913 20.933 1.00 50.00 H new ATOM 0 HB3 ASN A 125 14.769 -18.648 20.685 1.00 50.00 H new ATOM 0 HD21 ASN A 125 18.392 -16.782 19.795 1.00 50.00 H new ATOM 0 HD22 ASN A 125 16.878 -16.026 19.285 1.00 50.00 H new ATOM 1851 N ARG A 126 13.796 -19.574 17.980 1.00 50.00 N ATOM 1852 CA ARG A 126 13.866 -20.852 17.213 1.00 50.00 C ATOM 1853 C ARG A 126 13.812 -20.570 15.710 1.00 50.00 C ATOM 1854 O ARG A 126 14.239 -21.373 14.903 1.00 50.00 O ATOM 1855 CB ARG A 126 12.636 -21.647 17.651 1.00 50.00 C ATOM 1856 CG ARG A 126 13.079 -22.983 18.252 1.00 50.00 C ATOM 1857 CD ARG A 126 12.552 -23.097 19.685 1.00 50.00 C ATOM 1858 NE ARG A 126 12.071 -24.501 19.801 1.00 50.00 N ATOM 1859 CZ ARG A 126 11.000 -24.769 20.498 1.00 50.00 C ATOM 1860 NH1 ARG A 126 11.076 -25.557 21.535 1.00 50.00 N ATOM 1861 NH2 ARG A 126 9.853 -24.248 20.156 1.00 50.00 N ATOM 0 H ARG A 126 12.895 -19.378 18.417 1.00 50.00 H new ATOM 0 HA ARG A 126 14.792 -21.395 17.403 1.00 50.00 H new ATOM 0 HB2 ARG A 126 12.064 -21.078 18.384 1.00 50.00 H new ATOM 0 HB3 ARG A 126 11.979 -21.820 16.799 1.00 50.00 H new ATOM 0 HG2 ARG A 126 12.703 -23.808 17.648 1.00 50.00 H new ATOM 0 HG3 ARG A 126 14.167 -23.054 18.246 1.00 50.00 H new ATOM 0 HD2 ARG A 126 13.335 -22.886 20.413 1.00 50.00 H new ATOM 0 HD3 ARG A 126 11.746 -22.386 19.868 1.00 50.00 H new ATOM 0 HE ARG A 126 12.578 -25.254 19.336 1.00 50.00 H new ATOM 0 HH11 ARG A 126 11.972 -25.964 21.802 1.00 50.00 H new ATOM 0 HH12 ARG A 126 10.239 -25.766 22.079 1.00 50.00 H new ATOM 0 HH21 ARG A 126 9.794 -23.632 19.345 1.00 50.00 H new ATOM 0 HH22 ARG A 126 9.016 -24.457 20.700 1.00 50.00 H new ATOM 1875 N VAL A 127 13.290 -19.437 15.325 1.00 50.00 N ATOM 1876 CA VAL A 127 13.211 -19.109 13.872 1.00 50.00 C ATOM 1877 C VAL A 127 14.620 -18.968 13.288 1.00 50.00 C ATOM 1878 O VAL A 127 15.512 -18.429 13.912 1.00 50.00 O ATOM 1879 CB VAL A 127 12.463 -17.776 13.808 1.00 50.00 C ATOM 1880 CG1 VAL A 127 12.502 -17.232 12.377 1.00 50.00 C ATOM 1881 CG2 VAL A 127 11.007 -17.990 14.228 1.00 50.00 C ATOM 0 H VAL A 127 12.915 -18.725 15.952 1.00 50.00 H new ATOM 0 HA VAL A 127 12.706 -19.885 13.297 1.00 50.00 H new ATOM 0 HB VAL A 127 12.939 -17.062 14.481 1.00 50.00 H new ATOM 0 HG11 VAL A 127 11.968 -16.282 12.334 1.00 50.00 H new ATOM 0 HG12 VAL A 127 13.538 -17.080 12.074 1.00 50.00 H new ATOM 0 HG13 VAL A 127 12.027 -17.946 11.703 1.00 50.00 H new ATOM 0 HG21 VAL A 127 10.472 -17.041 14.183 1.00 50.00 H new ATOM 0 HG22 VAL A 127 10.535 -18.705 13.554 1.00 50.00 H new ATOM 0 HG23 VAL A 127 10.975 -18.377 15.247 1.00 50.00 H new ATOM 1891 N ILE A 128 14.827 -19.453 12.094 1.00 50.00 N ATOM 1892 CA ILE A 128 16.178 -19.351 11.471 1.00 50.00 C ATOM 1893 C ILE A 128 16.411 -17.934 10.940 1.00 50.00 C ATOM 1894 O ILE A 128 16.164 -16.996 11.681 1.00 50.00 O ATOM 1895 CB ILE A 128 16.160 -20.360 10.323 1.00 50.00 C ATOM 1896 CG1 ILE A 128 17.523 -20.367 9.628 1.00 50.00 C ATOM 1897 CG2 ILE A 128 15.076 -19.967 9.317 1.00 50.00 C ATOM 1898 CD1 ILE A 128 17.899 -21.804 9.258 1.00 50.00 C ATOM 1899 OXT ILE A 128 16.833 -17.811 9.802 1.00 50.00 O ATOM 0 H ILE A 128 14.119 -19.915 11.523 1.00 50.00 H new ATOM 0 HA ILE A 128 16.978 -19.557 12.182 1.00 50.00 H new ATOM 0 HB ILE A 128 15.948 -21.354 10.716 1.00 50.00 H new ATOM 0 HG12 ILE A 128 17.490 -19.746 8.733 1.00 50.00 H new ATOM 0 HG13 ILE A 128 18.280 -19.939 10.285 1.00 50.00 H new ATOM 0 HG21 ILE A 128 15.062 -20.686 8.498 1.00 50.00 H new ATOM 0 HG22 ILE A 128 14.105 -19.962 9.812 1.00 50.00 H new ATOM 0 HG23 ILE A 128 15.288 -18.973 8.924 1.00 50.00 H new ATOM 0 HD11 ILE A 128 18.870 -21.810 8.763 1.00 50.00 H new ATOM 0 HD12 ILE A 128 17.949 -22.411 10.162 1.00 50.00 H new ATOM 0 HD13 ILE A 128 17.146 -22.215 8.586 1.00 50.00 H new TER 1911 ILE A 128 HETATM 1912 FE1 FES A 130 2.897 -23.446 9.465 1.00 0.00 FE HETATM 1913 FE2 FES A 130 0.617 -22.156 9.960 1.00 0.00 FE HETATM 1914 S1 FES A 130 2.253 -21.482 8.570 1.00 0.00 S HETATM 1915 S2 FES A 130 1.319 -24.049 10.952 1.00 0.00 S