USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 885 hydrogens (23 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 SER OG : rot -75:sc= 1.25 USER MOD Set 1.2: A 85 GLN : amide:sc= -2.06 K(o=-0.81,f=-4.4!) USER MOD Set 2.1: A 69 HIS : no HE2:sc= -2.54 X(o=-2.8,f=-3.2!) USER MOD Set 2.2: A 90 LYS NZ :NH3+ -162:sc= -0.254 (180deg=0) USER MOD Set 3.1: A 61 GLN : amide:sc= -0.0683 X(o=-0.068,f=0) USER MOD Set 3.2: A 63 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 25 GLN :FLIP amide:sc= -1.02 F(o=-4.2,f=-0.79) USER MOD Set 4.2: A 43 THR OG1 : rot -59:sc= 0.235 USER MOD Set 5.1: A 14 HIS : no HD1:sc= -0.0112 X(o=-0.023,f=0) USER MOD Set 5.2: A 16 SER OG : rot 180:sc= -0.0119 USER MOD Single : A 13 ASN : amide:sc= -0.534 X(o=-0.53,f=-0.51) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0448 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 22 LYS NZ :NH3+ -169:sc= -0.504 (180deg=-0.729) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0576 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -165:sc= 1.14 (180deg=0.765) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.477 K(o=-0.48,f=-3.7!) USER MOD Single : A 41 LYS NZ :NH3+ 153:sc= 0.313 (180deg=0.0817) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 46 MET CE :methyl -169:sc= -5.87! (180deg=-6.11!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -5.79 X(o=-5.8,f=-5.5) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.55 F(o=-1.9,f=-0.55) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.46 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -149:sc= -1.56 (180deg=-2.22!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -5.49! C(o=-5.5!,f=-9.6!) USER MOD Single : A 68 GLN : amide:sc= -0.0246 X(o=-0.025,f=-0.21) USER MOD Single : A 72 HIS : no HD1:sc= -2.71 X(o=-2.7,f=-2.3) USER MOD Single : A 73 CYS SG : rot -124:sc= -0.0607 USER MOD Single : A 75 ASN : amide:sc= -0.238 K(o=-0.24,f=-2!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 TYR OH : rot 180:sc= -0.912 USER MOD Single : A 98 MET CE :methyl 174:sc= -0.203 (180deg=-0.313) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 ASN :FLIP amide:sc= -1.77 F(o=-2.4!,f=-1.8) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0.677 K(o=0.68,f=-0.0027) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= -0.341 (180deg=-0.341) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= -1.95 K(o=-2,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 13 -11.577 24.309 5.822 1.00 1.00 N ATOM 2 CA ASN A 13 -12.722 24.232 6.767 1.00 1.00 C ATOM 3 C ASN A 13 -12.264 23.795 8.155 1.00 1.00 C ATOM 4 O ASN A 13 -11.221 23.158 8.303 1.00 1.00 O ATOM 5 CB ASN A 13 -13.746 23.240 6.213 1.00 1.00 C ATOM 6 CG ASN A 13 -13.171 21.847 6.049 1.00 1.00 C ATOM 7 OD1 ASN A 13 -11.969 21.636 6.208 1.00 1.00 O ATOM 8 ND2 ASN A 13 -14.030 20.887 5.727 1.00 1.00 N ATOM 0 HA ASN A 13 -13.171 25.220 6.866 1.00 1.00 H new ATOM 0 HB2 ASN A 13 -14.606 23.199 6.881 1.00 1.00 H new ATOM 0 HB3 ASN A 13 -14.108 23.596 5.249 1.00 1.00 H new ATOM 0 HD21 ASN A 13 -13.701 19.930 5.602 1.00 1.00 H new ATOM 0 HD22 ASN A 13 -15.018 21.107 5.605 1.00 1.00 H new ATOM 17 N HIS A 14 -13.050 24.142 9.169 1.00 1.00 N ATOM 18 CA HIS A 14 -12.724 23.785 10.545 1.00 1.00 C ATOM 19 C HIS A 14 -13.526 22.567 10.995 1.00 1.00 C ATOM 20 O HIS A 14 -14.661 22.697 11.456 1.00 1.00 O ATOM 21 CB HIS A 14 -13.002 24.965 11.477 1.00 1.00 C ATOM 22 CG HIS A 14 -12.138 24.978 12.700 1.00 1.00 C ATOM 23 ND1 HIS A 14 -12.498 24.365 13.883 1.00 1.00 N ATOM 24 CD2 HIS A 14 -10.923 25.533 12.921 1.00 1.00 C ATOM 25 CE1 HIS A 14 -11.542 24.544 14.777 1.00 1.00 C ATOM 26 NE2 HIS A 14 -10.575 25.248 14.219 1.00 1.00 N ATOM 0 H HIS A 14 -13.917 24.670 9.064 1.00 1.00 H new ATOM 0 HA HIS A 14 -11.664 23.536 10.590 1.00 1.00 H new ATOM 0 HB2 HIS A 14 -12.854 25.894 10.927 1.00 1.00 H new ATOM 0 HB3 HIS A 14 -14.048 24.938 11.781 1.00 1.00 H new ATOM 0 HD2 HIS A 14 -10.337 26.095 12.209 1.00 1.00 H new ATOM 0 HE1 HIS A 14 -11.550 24.177 15.793 1.00 1.00 H new ATOM 0 HE2 HIS A 14 -9.710 25.534 14.677 1.00 1.00 H new ATOM 35 N ILE A 15 -12.932 21.385 10.861 1.00 1.00 N ATOM 36 CA ILE A 15 -13.595 20.148 11.256 1.00 1.00 C ATOM 37 C ILE A 15 -13.388 19.863 12.740 1.00 1.00 C ATOM 38 O ILE A 15 -14.242 19.260 13.390 1.00 1.00 O ATOM 39 CB ILE A 15 -13.082 18.949 10.437 1.00 1.00 C ATOM 40 CG1 ILE A 15 -11.554 18.890 10.479 1.00 1.00 C ATOM 41 CG2 ILE A 15 -13.576 19.037 9.001 1.00 1.00 C ATOM 42 CD1 ILE A 15 -10.999 17.491 10.320 1.00 1.00 C ATOM 0 H ILE A 15 -11.993 21.258 10.482 1.00 1.00 H new ATOM 0 HA ILE A 15 -14.659 20.283 11.060 1.00 1.00 H new ATOM 0 HB ILE A 15 -13.474 18.033 10.879 1.00 1.00 H new ATOM 0 HG12 ILE A 15 -11.152 19.524 9.688 1.00 1.00 H new ATOM 0 HG13 ILE A 15 -11.208 19.304 11.426 1.00 1.00 H new ATOM 0 HG21 ILE A 15 -13.205 18.182 8.435 1.00 1.00 H new ATOM 0 HG22 ILE A 15 -14.666 19.033 8.990 1.00 1.00 H new ATOM 0 HG23 ILE A 15 -13.212 19.958 8.547 1.00 1.00 H new ATOM 0 HD11 ILE A 15 -9.910 17.525 10.359 1.00 1.00 H new ATOM 0 HD12 ILE A 15 -11.372 16.858 11.125 1.00 1.00 H new ATOM 0 HD13 ILE A 15 -11.315 17.081 9.361 1.00 1.00 H new ATOM 54 N SER A 16 -12.248 20.299 13.268 1.00 1.00 N ATOM 55 CA SER A 16 -11.929 20.088 14.684 1.00 1.00 C ATOM 56 C SER A 16 -11.771 18.601 14.988 1.00 1.00 C ATOM 57 O SER A 16 -10.654 18.096 15.102 1.00 1.00 O ATOM 58 CB SER A 16 -13.023 20.690 15.570 1.00 1.00 C ATOM 59 OG SER A 16 -12.651 21.975 16.037 1.00 1.00 O ATOM 0 H SER A 16 -11.530 20.799 12.743 1.00 1.00 H new ATOM 0 HA SER A 16 -10.984 20.587 14.898 1.00 1.00 H new ATOM 0 HB2 SER A 16 -13.954 20.760 15.007 1.00 1.00 H new ATOM 0 HB3 SER A 16 -13.212 20.032 16.418 1.00 1.00 H new ATOM 0 HG SER A 16 -13.367 22.339 16.599 1.00 1.00 H new ATOM 65 N THR A 17 -12.896 17.904 15.120 1.00 1.00 N ATOM 66 CA THR A 17 -12.880 16.475 15.411 1.00 1.00 C ATOM 67 C THR A 17 -12.745 15.660 14.129 1.00 1.00 C ATOM 68 O THR A 17 -12.632 16.216 13.037 1.00 1.00 O ATOM 69 CB THR A 17 -14.155 16.071 16.154 1.00 1.00 C ATOM 70 OG1 THR A 17 -15.277 16.765 15.639 1.00 1.00 O ATOM 71 CG2 THR A 17 -14.091 16.340 17.642 1.00 1.00 C ATOM 0 H THR A 17 -13.829 18.306 15.030 1.00 1.00 H new ATOM 0 HA THR A 17 -12.017 16.268 16.044 1.00 1.00 H new ATOM 0 HB THR A 17 -14.251 14.996 16.000 1.00 1.00 H new ATOM 0 HG1 THR A 17 -16.082 16.492 16.126 1.00 1.00 H new ATOM 0 HG21 THR A 17 -15.026 16.031 18.108 1.00 1.00 H new ATOM 0 HG22 THR A 17 -13.265 15.778 18.078 1.00 1.00 H new ATOM 0 HG23 THR A 17 -13.935 17.405 17.813 1.00 1.00 H new ATOM 79 N SER A 18 -12.757 14.339 14.271 1.00 1.00 N ATOM 80 CA SER A 18 -12.635 13.446 13.124 1.00 1.00 C ATOM 81 C SER A 18 -13.847 13.571 12.205 1.00 1.00 C ATOM 82 O SER A 18 -14.978 13.310 12.614 1.00 1.00 O ATOM 83 CB SER A 18 -12.483 11.998 13.592 1.00 1.00 C ATOM 84 OG SER A 18 -11.614 11.274 12.738 1.00 1.00 O ATOM 0 H SER A 18 -12.850 13.863 15.168 1.00 1.00 H new ATOM 0 HA SER A 18 -11.746 13.735 12.564 1.00 1.00 H new ATOM 0 HB2 SER A 18 -12.095 11.981 14.610 1.00 1.00 H new ATOM 0 HB3 SER A 18 -13.460 11.516 13.615 1.00 1.00 H new ATOM 0 HG SER A 18 -11.532 10.352 13.060 1.00 1.00 H new ATOM 90 N ASP A 19 -13.602 13.973 10.962 1.00 1.00 N ATOM 91 CA ASP A 19 -14.672 14.132 9.985 1.00 1.00 C ATOM 92 C ASP A 19 -14.377 13.330 8.721 1.00 1.00 C ATOM 93 O ASP A 19 -15.087 12.378 8.399 1.00 1.00 O ATOM 94 CB ASP A 19 -14.857 15.610 9.635 1.00 1.00 C ATOM 95 CG ASP A 19 -16.315 15.985 9.464 1.00 1.00 C ATOM 96 OD1 ASP A 19 -17.138 15.572 10.308 1.00 1.00 O ATOM 97 OD2 ASP A 19 -16.636 16.692 8.485 1.00 1.00 O ATOM 0 H ASP A 19 -12.671 14.195 10.608 1.00 1.00 H new ATOM 0 HA ASP A 19 -15.594 13.754 10.427 1.00 1.00 H new ATOM 0 HB2 ASP A 19 -14.416 16.224 10.420 1.00 1.00 H new ATOM 0 HB3 ASP A 19 -14.317 15.833 8.715 1.00 1.00 H new ATOM 102 N GLN A 20 -13.325 13.722 8.010 1.00 1.00 N ATOM 103 CA GLN A 20 -12.934 13.043 6.784 1.00 1.00 C ATOM 104 C GLN A 20 -11.611 12.306 6.980 1.00 1.00 C ATOM 105 O GLN A 20 -10.830 12.638 7.872 1.00 1.00 O ATOM 106 CB GLN A 20 -12.823 14.057 5.639 1.00 1.00 C ATOM 107 CG GLN A 20 -12.010 13.566 4.452 1.00 1.00 C ATOM 108 CD GLN A 20 -11.858 14.620 3.372 1.00 1.00 C ATOM 109 OE1 GLN A 20 -12.839 15.217 2.929 1.00 1.00 O ATOM 110 NE2 GLN A 20 -10.623 14.853 2.943 1.00 1.00 N ATOM 0 H GLN A 20 -12.728 14.509 8.264 1.00 1.00 H new ATOM 0 HA GLN A 20 -13.697 12.308 6.529 1.00 1.00 H new ATOM 0 HB2 GLN A 20 -13.826 14.314 5.297 1.00 1.00 H new ATOM 0 HB3 GLN A 20 -12.372 14.973 6.021 1.00 1.00 H new ATOM 0 HG2 GLN A 20 -11.022 13.258 4.795 1.00 1.00 H new ATOM 0 HG3 GLN A 20 -12.489 12.684 4.028 1.00 1.00 H new ATOM 0 HE21 GLN A 20 -9.839 14.334 3.339 1.00 1.00 H new ATOM 0 HE22 GLN A 20 -10.458 15.551 2.218 1.00 1.00 H new ATOM 119 N GLU A 21 -11.365 11.307 6.139 1.00 1.00 N ATOM 120 CA GLU A 21 -10.137 10.525 6.219 1.00 1.00 C ATOM 121 C GLU A 21 -9.226 10.823 5.033 1.00 1.00 C ATOM 122 O GLU A 21 -9.668 10.821 3.885 1.00 1.00 O ATOM 123 CB GLU A 21 -10.462 9.031 6.266 1.00 1.00 C ATOM 124 CG GLU A 21 -11.115 8.590 7.565 1.00 1.00 C ATOM 125 CD GLU A 21 -10.759 7.166 7.943 1.00 1.00 C ATOM 126 OE1 GLU A 21 -9.568 6.803 7.836 1.00 1.00 O ATOM 127 OE2 GLU A 21 -11.670 6.412 8.346 1.00 1.00 O ATOM 0 H GLU A 21 -12.000 11.020 5.394 1.00 1.00 H new ATOM 0 HA GLU A 21 -9.615 10.805 7.134 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -11.124 8.786 5.435 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -9.543 8.463 6.120 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -10.810 9.262 8.367 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -12.197 8.677 7.471 1.00 1.00 H new ATOM 134 N LYS A 22 -7.953 11.079 5.319 1.00 1.00 N ATOM 135 CA LYS A 22 -6.979 11.380 4.273 1.00 1.00 C ATOM 136 C LYS A 22 -6.971 10.289 3.206 1.00 1.00 C ATOM 137 O LYS A 22 -6.698 9.125 3.498 1.00 1.00 O ATOM 138 CB LYS A 22 -5.576 11.533 4.868 1.00 1.00 C ATOM 139 CG LYS A 22 -5.262 10.530 5.966 1.00 1.00 C ATOM 140 CD LYS A 22 -5.463 11.138 7.344 1.00 1.00 C ATOM 141 CE LYS A 22 -5.961 10.106 8.342 1.00 1.00 C ATOM 142 NZ LYS A 22 -7.445 9.986 8.324 1.00 1.00 N ATOM 0 H LYS A 22 -7.571 11.084 6.265 1.00 1.00 H new ATOM 0 HA LYS A 22 -7.271 12.322 3.808 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -4.840 11.427 4.071 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -5.469 12.541 5.268 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -5.902 9.655 5.856 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -4.232 10.187 5.864 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -4.523 11.562 7.696 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -6.178 11.958 7.280 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -5.516 9.137 8.115 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -5.631 10.381 9.344 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -7.757 9.418 9.137 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -7.871 10.933 8.380 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -7.745 9.523 7.442 1.00 1.00 H new ATOM 156 N LEU A 23 -7.276 10.671 1.970 1.00 1.00 N ATOM 157 CA LEU A 23 -7.306 9.719 0.865 1.00 1.00 C ATOM 158 C LEU A 23 -6.043 9.820 0.019 1.00 1.00 C ATOM 159 O LEU A 23 -5.504 10.909 -0.184 1.00 1.00 O ATOM 160 CB LEU A 23 -8.534 9.950 -0.024 1.00 1.00 C ATOM 161 CG LEU A 23 -9.783 10.477 0.691 1.00 1.00 C ATOM 162 CD1 LEU A 23 -10.387 11.642 -0.079 1.00 1.00 C ATOM 163 CD2 LEU A 23 -10.807 9.364 0.866 1.00 1.00 C ATOM 0 H LEU A 23 -7.505 11.630 1.709 1.00 1.00 H new ATOM 0 HA LEU A 23 -7.362 8.721 1.299 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -8.263 10.655 -0.810 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -8.788 9.009 -0.513 1.00 1.00 H new ATOM 0 HG LEU A 23 -9.490 10.833 1.679 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -11.273 12.003 0.443 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -9.656 12.447 -0.153 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -10.666 11.311 -1.080 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -11.687 9.756 1.375 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -11.095 8.978 -0.112 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -10.372 8.560 1.460 1.00 1.00 H new ATOM 175 N VAL A 24 -5.588 8.681 -0.490 1.00 1.00 N ATOM 176 CA VAL A 24 -4.402 8.643 -1.336 1.00 1.00 C ATOM 177 C VAL A 24 -4.803 8.354 -2.780 1.00 1.00 C ATOM 178 O VAL A 24 -5.909 7.877 -3.035 1.00 1.00 O ATOM 179 CB VAL A 24 -3.371 7.595 -0.858 1.00 1.00 C ATOM 180 CG1 VAL A 24 -2.402 8.222 0.132 1.00 1.00 C ATOM 181 CG2 VAL A 24 -4.057 6.383 -0.239 1.00 1.00 C ATOM 0 H VAL A 24 -6.023 7.772 -0.331 1.00 1.00 H new ATOM 0 HA VAL A 24 -3.926 9.621 -1.270 1.00 1.00 H new ATOM 0 HB VAL A 24 -2.812 7.252 -1.729 1.00 1.00 H new ATOM 0 HG11 VAL A 24 -1.682 7.473 0.460 1.00 1.00 H new ATOM 0 HG12 VAL A 24 -1.875 9.047 -0.348 1.00 1.00 H new ATOM 0 HG13 VAL A 24 -2.954 8.597 0.994 1.00 1.00 H new ATOM 0 HG21 VAL A 24 -3.304 5.665 0.087 1.00 1.00 H new ATOM 0 HG22 VAL A 24 -4.651 6.700 0.618 1.00 1.00 H new ATOM 0 HG23 VAL A 24 -4.707 5.916 -0.979 1.00 1.00 H new ATOM 191 N GLN A 25 -3.920 8.658 -3.728 1.00 1.00 N ATOM 192 CA GLN A 25 -4.224 8.439 -5.138 1.00 1.00 C ATOM 193 C GLN A 25 -3.131 7.630 -5.835 1.00 1.00 C ATOM 194 O GLN A 25 -2.133 8.186 -6.292 1.00 1.00 O ATOM 195 CB GLN A 25 -4.408 9.783 -5.843 1.00 1.00 C ATOM 196 CG GLN A 25 -4.752 9.660 -7.319 1.00 1.00 C ATOM 197 CD GLN A 25 -6.236 9.816 -7.587 1.00 1.00 C ATOM 198 OE1 GLN A 25 -7.017 8.820 -7.185 1.00 1.00 O flip ATOM 199 NE2 GLN A 25 -6.675 10.819 -8.148 1.00 1.00 N flip ATOM 0 H GLN A 25 -2.997 9.053 -3.548 1.00 1.00 H new ATOM 0 HA GLN A 25 -5.148 7.864 -5.195 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -5.198 10.341 -5.341 1.00 1.00 H new ATOM 0 HB3 GLN A 25 -3.492 10.365 -5.740 1.00 1.00 H new ATOM 0 HG2 GLN A 25 -4.204 10.417 -7.880 1.00 1.00 H new ATOM 0 HG3 GLN A 25 -4.421 8.689 -7.686 1.00 1.00 H new ATOM 0 HE21 GLN A 25 -6.038 11.560 -8.440 1.00 1.00 H new ATOM 0 HE22 GLN A 25 -7.676 10.910 -8.321 1.00 1.00 H new ATOM 208 N PRO A 26 -3.311 6.301 -5.932 1.00 1.00 N ATOM 209 CA PRO A 26 -2.341 5.414 -6.586 1.00 1.00 C ATOM 210 C PRO A 26 -2.196 5.716 -8.073 1.00 1.00 C ATOM 211 O PRO A 26 -3.164 6.086 -8.737 1.00 1.00 O ATOM 212 CB PRO A 26 -2.939 4.013 -6.393 1.00 1.00 C ATOM 213 CG PRO A 26 -3.929 4.162 -5.289 1.00 1.00 C ATOM 214 CD PRO A 26 -4.469 5.555 -5.417 1.00 1.00 C ATOM 0 HA PRO A 26 -1.343 5.529 -6.163 1.00 1.00 H new ATOM 0 HB2 PRO A 26 -3.417 3.659 -7.306 1.00 1.00 H new ATOM 0 HB3 PRO A 26 -2.168 3.287 -6.136 1.00 1.00 H new ATOM 0 HG2 PRO A 26 -4.726 3.423 -5.375 1.00 1.00 H new ATOM 0 HG3 PRO A 26 -3.458 4.012 -4.317 1.00 1.00 H new ATOM 0 HD2 PRO A 26 -5.317 5.600 -6.100 1.00 1.00 H new ATOM 0 HD3 PRO A 26 -4.811 5.947 -4.459 1.00 1.00 H new ATOM 222 N THR A 27 -0.985 5.547 -8.593 1.00 1.00 N ATOM 223 CA THR A 27 -0.725 5.793 -10.006 1.00 1.00 C ATOM 224 C THR A 27 -1.583 4.874 -10.872 1.00 1.00 C ATOM 225 O THR A 27 -2.140 3.892 -10.382 1.00 1.00 O ATOM 226 CB THR A 27 0.757 5.576 -10.318 1.00 1.00 C ATOM 227 OG1 THR A 27 1.286 4.524 -9.531 1.00 1.00 O ATOM 228 CG2 THR A 27 1.606 6.804 -10.074 1.00 1.00 C ATOM 0 H THR A 27 -0.171 5.242 -8.059 1.00 1.00 H new ATOM 0 HA THR A 27 -0.984 6.828 -10.231 1.00 1.00 H new ATOM 0 HB THR A 27 0.796 5.333 -11.380 1.00 1.00 H new ATOM 0 HG1 THR A 27 2.234 4.399 -9.746 1.00 1.00 H new ATOM 0 HG21 THR A 27 2.645 6.581 -10.315 1.00 1.00 H new ATOM 0 HG22 THR A 27 1.254 7.621 -10.704 1.00 1.00 H new ATOM 0 HG23 THR A 27 1.531 7.096 -9.027 1.00 1.00 H new ATOM 236 N PRO A 28 -1.704 5.178 -12.175 1.00 1.00 N ATOM 237 CA PRO A 28 -2.503 4.369 -13.100 1.00 1.00 C ATOM 238 C PRO A 28 -2.215 2.877 -12.964 1.00 1.00 C ATOM 239 O PRO A 28 -3.104 2.044 -13.145 1.00 1.00 O ATOM 240 CB PRO A 28 -2.070 4.879 -14.474 1.00 1.00 C ATOM 241 CG PRO A 28 -1.661 6.292 -14.237 1.00 1.00 C ATOM 242 CD PRO A 28 -1.076 6.332 -12.849 1.00 1.00 C ATOM 0 HA PRO A 28 -3.572 4.466 -12.912 1.00 1.00 H new ATOM 0 HB2 PRO A 28 -1.245 4.289 -14.874 1.00 1.00 H new ATOM 0 HB3 PRO A 28 -2.885 4.818 -15.195 1.00 1.00 H new ATOM 0 HG2 PRO A 28 -0.929 6.615 -14.977 1.00 1.00 H new ATOM 0 HG3 PRO A 28 -2.515 6.964 -14.319 1.00 1.00 H new ATOM 0 HD2 PRO A 28 0.010 6.243 -12.869 1.00 1.00 H new ATOM 0 HD3 PRO A 28 -1.310 7.268 -12.342 1.00 1.00 H new ATOM 250 N LEU A 29 -0.970 2.546 -12.637 1.00 1.00 N ATOM 251 CA LEU A 29 -0.570 1.153 -12.470 1.00 1.00 C ATOM 252 C LEU A 29 -1.185 0.569 -11.202 1.00 1.00 C ATOM 253 O LEU A 29 -1.977 -0.373 -11.261 1.00 1.00 O ATOM 254 CB LEU A 29 0.956 1.040 -12.417 1.00 1.00 C ATOM 255 CG LEU A 29 1.498 -0.361 -12.117 1.00 1.00 C ATOM 256 CD1 LEU A 29 0.825 -1.401 -13.002 1.00 1.00 C ATOM 257 CD2 LEU A 29 3.007 -0.395 -12.304 1.00 1.00 C ATOM 0 H LEU A 29 -0.222 3.222 -12.483 1.00 1.00 H new ATOM 0 HA LEU A 29 -0.934 0.585 -13.326 1.00 1.00 H new ATOM 0 HB2 LEU A 29 1.362 1.372 -13.373 1.00 1.00 H new ATOM 0 HB3 LEU A 29 1.329 1.726 -11.657 1.00 1.00 H new ATOM 0 HG LEU A 29 1.272 -0.602 -11.078 1.00 1.00 H new ATOM 0 HD11 LEU A 29 1.225 -2.388 -12.772 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -0.250 -1.393 -12.820 1.00 1.00 H new ATOM 0 HD13 LEU A 29 1.017 -1.167 -14.049 1.00 1.00 H new ATOM 0 HD21 LEU A 29 3.378 -1.397 -12.087 1.00 1.00 H new ATOM 0 HD22 LEU A 29 3.252 -0.132 -13.333 1.00 1.00 H new ATOM 0 HD23 LEU A 29 3.474 0.319 -11.626 1.00 1.00 H new ATOM 269 N LEU A 30 -0.823 1.139 -10.056 1.00 1.00 N ATOM 270 CA LEU A 30 -1.349 0.679 -8.776 1.00 1.00 C ATOM 271 C LEU A 30 -2.874 0.679 -8.798 1.00 1.00 C ATOM 272 O LEU A 30 -3.517 -0.195 -8.217 1.00 1.00 O ATOM 273 CB LEU A 30 -0.839 1.568 -7.639 1.00 1.00 C ATOM 274 CG LEU A 30 -1.129 1.052 -6.226 1.00 1.00 C ATOM 275 CD1 LEU A 30 -0.769 -0.422 -6.107 1.00 1.00 C ATOM 276 CD2 LEU A 30 -0.368 1.872 -5.195 1.00 1.00 C ATOM 0 H LEU A 30 -0.169 1.919 -9.988 1.00 1.00 H new ATOM 0 HA LEU A 30 -1.001 -0.340 -8.606 1.00 1.00 H new ATOM 0 HB2 LEU A 30 0.239 1.690 -7.750 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -1.284 2.557 -7.745 1.00 1.00 H new ATOM 0 HG LEU A 30 -2.197 1.159 -6.034 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -0.983 -0.768 -5.096 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -1.358 -0.999 -6.820 1.00 1.00 H new ATOM 0 HD13 LEU A 30 0.292 -0.556 -6.320 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -0.585 1.493 -4.196 1.00 1.00 H new ATOM 0 HD22 LEU A 30 0.702 1.796 -5.388 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -0.675 2.916 -5.261 1.00 1.00 H new ATOM 288 N LEU A 31 -3.441 1.668 -9.482 1.00 1.00 N ATOM 289 CA LEU A 31 -4.891 1.800 -9.602 1.00 1.00 C ATOM 290 C LEU A 31 -5.535 0.481 -10.029 1.00 1.00 C ATOM 291 O LEU A 31 -6.277 -0.134 -9.263 1.00 1.00 O ATOM 292 CB LEU A 31 -5.235 2.899 -10.612 1.00 1.00 C ATOM 293 CG LEU A 31 -5.853 4.162 -10.012 1.00 1.00 C ATOM 294 CD1 LEU A 31 -6.165 5.173 -11.104 1.00 1.00 C ATOM 295 CD2 LEU A 31 -7.109 3.818 -9.224 1.00 1.00 C ATOM 0 H LEU A 31 -2.914 2.396 -9.965 1.00 1.00 H new ATOM 0 HA LEU A 31 -5.287 2.069 -8.623 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -4.327 3.177 -11.147 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -5.926 2.490 -11.349 1.00 1.00 H new ATOM 0 HG LEU A 31 -5.131 4.609 -9.328 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -6.604 6.066 -10.659 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -5.246 5.442 -11.624 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -6.869 4.737 -11.813 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -7.536 4.729 -8.804 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -7.836 3.348 -9.886 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -6.855 3.130 -8.417 1.00 1.00 H new ATOM 307 N SER A 32 -5.250 0.057 -11.259 1.00 1.00 N ATOM 308 CA SER A 32 -5.803 -1.186 -11.797 1.00 1.00 C ATOM 309 C SER A 32 -5.679 -2.328 -10.792 1.00 1.00 C ATOM 310 O SER A 32 -6.597 -3.133 -10.640 1.00 1.00 O ATOM 311 CB SER A 32 -5.097 -1.560 -13.101 1.00 1.00 C ATOM 312 OG SER A 32 -5.778 -1.024 -14.222 1.00 1.00 O ATOM 0 H SER A 32 -4.638 0.557 -11.904 1.00 1.00 H new ATOM 0 HA SER A 32 -6.862 -1.021 -11.997 1.00 1.00 H new ATOM 0 HB2 SER A 32 -4.072 -1.189 -13.083 1.00 1.00 H new ATOM 0 HB3 SER A 32 -5.042 -2.645 -13.190 1.00 1.00 H new ATOM 0 HG SER A 32 -5.306 -1.276 -15.043 1.00 1.00 H new ATOM 318 N LEU A 33 -4.546 -2.396 -10.095 1.00 1.00 N ATOM 319 CA LEU A 33 -4.341 -3.447 -9.100 1.00 1.00 C ATOM 320 C LEU A 33 -5.498 -3.446 -8.108 1.00 1.00 C ATOM 321 O LEU A 33 -5.929 -4.497 -7.634 1.00 1.00 O ATOM 322 CB LEU A 33 -3.013 -3.259 -8.362 1.00 1.00 C ATOM 323 CG LEU A 33 -1.865 -2.702 -9.208 1.00 1.00 C ATOM 324 CD1 LEU A 33 -0.555 -2.766 -8.438 1.00 1.00 C ATOM 325 CD2 LEU A 33 -1.750 -3.463 -10.522 1.00 1.00 C ATOM 0 H LEU A 33 -3.766 -1.746 -10.198 1.00 1.00 H new ATOM 0 HA LEU A 33 -4.305 -4.407 -9.615 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -3.178 -2.590 -7.518 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -2.706 -4.221 -7.951 1.00 1.00 H new ATOM 0 HG LEU A 33 -2.081 -1.658 -9.434 1.00 1.00 H new ATOM 0 HD11 LEU A 33 0.250 -2.366 -9.055 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -0.640 -2.176 -7.525 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -0.334 -3.802 -8.181 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -0.929 -3.053 -11.109 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -1.559 -4.516 -10.317 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -2.680 -3.366 -11.082 1.00 1.00 H new ATOM 337 N LEU A 34 -6.014 -2.253 -7.826 1.00 1.00 N ATOM 338 CA LEU A 34 -7.146 -2.102 -6.922 1.00 1.00 C ATOM 339 C LEU A 34 -8.423 -2.493 -7.652 1.00 1.00 C ATOM 340 O LEU A 34 -9.325 -3.103 -7.080 1.00 1.00 O ATOM 341 CB LEU A 34 -7.251 -0.657 -6.417 1.00 1.00 C ATOM 342 CG LEU A 34 -5.927 -0.012 -6.004 1.00 1.00 C ATOM 343 CD1 LEU A 34 -6.145 1.443 -5.618 1.00 1.00 C ATOM 344 CD2 LEU A 34 -5.301 -0.782 -4.853 1.00 1.00 C ATOM 0 H LEU A 34 -5.664 -1.376 -8.212 1.00 1.00 H new ATOM 0 HA LEU A 34 -7.000 -2.752 -6.059 1.00 1.00 H new ATOM 0 HB2 LEU A 34 -7.705 -0.048 -7.199 1.00 1.00 H new ATOM 0 HB3 LEU A 34 -7.928 -0.636 -5.563 1.00 1.00 H new ATOM 0 HG LEU A 34 -5.244 -0.044 -6.852 1.00 1.00 H new ATOM 0 HD11 LEU A 34 -5.194 1.889 -5.326 1.00 1.00 H new ATOM 0 HD12 LEU A 34 -6.555 1.988 -6.468 1.00 1.00 H new ATOM 0 HD13 LEU A 34 -6.842 1.497 -4.782 1.00 1.00 H new ATOM 0 HD21 LEU A 34 -4.359 -0.311 -4.570 1.00 1.00 H new ATOM 0 HD22 LEU A 34 -5.980 -0.777 -4.000 1.00 1.00 H new ATOM 0 HD23 LEU A 34 -5.114 -1.810 -5.162 1.00 1.00 H new ATOM 356 N LYS A 35 -8.474 -2.146 -8.936 1.00 1.00 N ATOM 357 CA LYS A 35 -9.620 -2.461 -9.779 1.00 1.00 C ATOM 358 C LYS A 35 -9.907 -3.959 -9.755 1.00 1.00 C ATOM 359 O LYS A 35 -11.058 -4.386 -9.846 1.00 1.00 O ATOM 360 CB LYS A 35 -9.351 -2.000 -11.216 1.00 1.00 C ATOM 361 CG LYS A 35 -9.707 -0.545 -11.479 1.00 1.00 C ATOM 362 CD LYS A 35 -9.168 0.376 -10.395 1.00 1.00 C ATOM 363 CE LYS A 35 -9.660 1.802 -10.580 1.00 1.00 C ATOM 364 NZ LYS A 35 -9.538 2.253 -11.994 1.00 1.00 N ATOM 0 H LYS A 35 -7.728 -1.643 -9.416 1.00 1.00 H new ATOM 0 HA LYS A 35 -10.493 -1.936 -9.392 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -8.296 -2.151 -11.443 1.00 1.00 H new ATOM 0 HB3 LYS A 35 -9.918 -2.631 -11.901 1.00 1.00 H new ATOM 0 HG2 LYS A 35 -9.305 -0.242 -12.446 1.00 1.00 H new ATOM 0 HG3 LYS A 35 -10.790 -0.441 -11.538 1.00 1.00 H new ATOM 0 HD2 LYS A 35 -9.477 0.008 -9.417 1.00 1.00 H new ATOM 0 HD3 LYS A 35 -8.078 0.361 -10.412 1.00 1.00 H new ATOM 0 HE2 LYS A 35 -10.702 1.870 -10.266 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -9.088 2.470 -9.935 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -9.638 3.287 -12.038 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 -8.607 1.978 -12.367 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 -10.284 1.809 -12.566 1.00 1.00 H new ATOM 378 N SER A 36 -8.846 -4.750 -9.626 1.00 1.00 N ATOM 379 CA SER A 36 -8.972 -6.202 -9.581 1.00 1.00 C ATOM 380 C SER A 36 -9.083 -6.694 -8.140 1.00 1.00 C ATOM 381 O SER A 36 -9.587 -7.788 -7.885 1.00 1.00 O ATOM 382 CB SER A 36 -7.771 -6.859 -10.268 1.00 1.00 C ATOM 383 OG SER A 36 -8.192 -7.791 -11.249 1.00 1.00 O ATOM 0 H SER A 36 -7.888 -4.408 -9.551 1.00 1.00 H new ATOM 0 HA SER A 36 -9.883 -6.481 -10.111 1.00 1.00 H new ATOM 0 HB2 SER A 36 -7.150 -6.093 -10.732 1.00 1.00 H new ATOM 0 HB3 SER A 36 -7.153 -7.363 -9.524 1.00 1.00 H new ATOM 0 HG SER A 36 -7.407 -8.195 -11.674 1.00 1.00 H new ATOM 389 N ALA A 37 -8.609 -5.879 -7.200 1.00 1.00 N ATOM 390 CA ALA A 37 -8.655 -6.233 -5.786 1.00 1.00 C ATOM 391 C ALA A 37 -9.985 -5.829 -5.147 1.00 1.00 C ATOM 392 O ALA A 37 -10.147 -5.921 -3.931 1.00 1.00 O ATOM 393 CB ALA A 37 -7.493 -5.587 -5.045 1.00 1.00 C ATOM 0 H ALA A 37 -8.189 -4.970 -7.393 1.00 1.00 H new ATOM 0 HA ALA A 37 -8.568 -7.317 -5.710 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -7.538 -5.859 -3.990 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -6.552 -5.936 -5.470 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -7.556 -4.503 -5.144 1.00 1.00 H new ATOM 399 N GLY A 38 -10.933 -5.382 -5.969 1.00 1.00 N ATOM 400 CA GLY A 38 -12.227 -4.975 -5.452 1.00 1.00 C ATOM 401 C GLY A 38 -12.323 -3.475 -5.256 1.00 1.00 C ATOM 402 O GLY A 38 -12.935 -3.004 -4.298 1.00 1.00 O ATOM 0 H GLY A 38 -10.827 -5.295 -6.980 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -13.009 -5.300 -6.139 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -12.410 -5.476 -4.501 1.00 1.00 H new ATOM 406 N ALA A 39 -11.711 -2.726 -6.166 1.00 1.00 N ATOM 407 CA ALA A 39 -11.719 -1.271 -6.095 1.00 1.00 C ATOM 408 C ALA A 39 -12.445 -0.669 -7.304 1.00 1.00 C ATOM 409 O ALA A 39 -12.404 -1.237 -8.396 1.00 1.00 O ATOM 410 CB ALA A 39 -10.295 -0.748 -6.015 1.00 1.00 C ATOM 0 H ALA A 39 -11.201 -3.105 -6.964 1.00 1.00 H new ATOM 0 HA ALA A 39 -12.257 -0.971 -5.196 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -10.310 0.341 -5.962 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -9.810 -1.148 -5.125 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -9.742 -1.061 -6.901 1.00 1.00 H new ATOM 416 N GLN A 40 -13.114 0.475 -7.119 1.00 1.00 N ATOM 417 CA GLN A 40 -13.835 1.114 -8.215 1.00 1.00 C ATOM 418 C GLN A 40 -13.307 2.522 -8.480 1.00 1.00 C ATOM 419 O GLN A 40 -12.695 2.780 -9.517 1.00 1.00 O ATOM 420 CB GLN A 40 -15.332 1.169 -7.903 1.00 1.00 C ATOM 421 CG GLN A 40 -16.215 0.969 -9.124 1.00 1.00 C ATOM 422 CD GLN A 40 -16.207 -0.464 -9.620 1.00 1.00 C ATOM 423 OE1 GLN A 40 -15.259 -1.211 -9.379 1.00 1.00 O ATOM 424 NE2 GLN A 40 -17.267 -0.854 -10.318 1.00 1.00 N ATOM 0 H GLN A 40 -13.169 0.970 -6.229 1.00 1.00 H new ATOM 0 HA GLN A 40 -13.676 0.516 -9.113 1.00 1.00 H new ATOM 0 HB2 GLN A 40 -15.569 0.404 -7.164 1.00 1.00 H new ATOM 0 HB3 GLN A 40 -15.565 2.133 -7.450 1.00 1.00 H new ATOM 0 HG2 GLN A 40 -17.237 1.260 -8.881 1.00 1.00 H new ATOM 0 HG3 GLN A 40 -15.878 1.628 -9.924 1.00 1.00 H new ATOM 0 HE21 GLN A 40 -18.030 -0.201 -10.494 1.00 1.00 H new ATOM 0 HE22 GLN A 40 -17.318 -1.807 -10.678 1.00 1.00 H new ATOM 433 N LYS A 41 -13.554 3.433 -7.541 1.00 1.00 N ATOM 434 CA LYS A 41 -13.108 4.819 -7.678 1.00 1.00 C ATOM 435 C LYS A 41 -11.625 4.893 -8.035 1.00 1.00 C ATOM 436 O LYS A 41 -10.939 3.873 -8.099 1.00 1.00 O ATOM 437 CB LYS A 41 -13.375 5.598 -6.387 1.00 1.00 C ATOM 438 CG LYS A 41 -12.805 4.939 -5.142 1.00 1.00 C ATOM 439 CD LYS A 41 -13.834 4.057 -4.453 1.00 1.00 C ATOM 440 CE LYS A 41 -13.667 4.083 -2.943 1.00 1.00 C ATOM 441 NZ LYS A 41 -14.438 2.995 -2.280 1.00 1.00 N ATOM 0 H LYS A 41 -14.060 3.237 -6.677 1.00 1.00 H new ATOM 0 HA LYS A 41 -13.677 5.271 -8.491 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -12.952 6.598 -6.483 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -14.451 5.718 -6.262 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -11.935 4.340 -5.413 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -12.461 5.707 -4.449 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -14.837 4.393 -4.715 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -13.737 3.033 -4.813 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -12.611 3.984 -2.693 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -13.996 5.048 -2.558 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -13.980 2.744 -1.380 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -15.409 3.320 -2.096 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -14.464 2.160 -2.900 1.00 1.00 H new ATOM 455 N GLU A 42 -11.140 6.108 -8.272 1.00 1.00 N ATOM 456 CA GLU A 42 -9.741 6.319 -8.628 1.00 1.00 C ATOM 457 C GLU A 42 -8.889 6.572 -7.388 1.00 1.00 C ATOM 458 O GLU A 42 -7.701 6.254 -7.367 1.00 1.00 O ATOM 459 CB GLU A 42 -9.614 7.497 -9.596 1.00 1.00 C ATOM 460 CG GLU A 42 -10.144 7.200 -10.989 1.00 1.00 C ATOM 461 CD GLU A 42 -9.409 6.056 -11.661 1.00 1.00 C ATOM 462 OE1 GLU A 42 -9.717 4.887 -11.347 1.00 1.00 O ATOM 463 OE2 GLU A 42 -8.525 6.329 -12.500 1.00 1.00 O ATOM 0 H GLU A 42 -11.696 6.962 -8.224 1.00 1.00 H new ATOM 0 HA GLU A 42 -9.378 5.413 -9.114 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -10.152 8.352 -9.187 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -8.565 7.785 -9.669 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -11.205 6.958 -10.926 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -10.057 8.095 -11.605 1.00 1.00 H new ATOM 470 N THR A 43 -9.501 7.146 -6.357 1.00 1.00 N ATOM 471 CA THR A 43 -8.789 7.437 -5.117 1.00 1.00 C ATOM 472 C THR A 43 -9.240 6.503 -4.001 1.00 1.00 C ATOM 473 O THR A 43 -10.362 6.000 -4.015 1.00 1.00 O ATOM 474 CB THR A 43 -9.010 8.892 -4.697 1.00 1.00 C ATOM 475 OG1 THR A 43 -9.514 9.658 -5.777 1.00 1.00 O ATOM 476 CG2 THR A 43 -7.751 9.569 -4.201 1.00 1.00 C ATOM 0 H THR A 43 -10.484 7.418 -6.355 1.00 1.00 H new ATOM 0 HA THR A 43 -7.726 7.279 -5.297 1.00 1.00 H new ATOM 0 HB THR A 43 -9.727 8.849 -3.878 1.00 1.00 H new ATOM 0 HG1 THR A 43 -8.884 9.621 -6.527 1.00 1.00 H new ATOM 0 HG21 THR A 43 -7.978 10.597 -3.920 1.00 1.00 H new ATOM 0 HG22 THR A 43 -7.367 9.032 -3.334 1.00 1.00 H new ATOM 0 HG23 THR A 43 -7.001 9.566 -4.992 1.00 1.00 H new ATOM 484 N PHE A 44 -8.358 6.275 -3.037 1.00 1.00 N ATOM 485 CA PHE A 44 -8.665 5.403 -1.913 1.00 1.00 C ATOM 486 C PHE A 44 -7.863 5.801 -0.682 1.00 1.00 C ATOM 487 O PHE A 44 -6.734 6.277 -0.793 1.00 1.00 O ATOM 488 CB PHE A 44 -8.354 3.948 -2.266 1.00 1.00 C ATOM 489 CG PHE A 44 -9.046 3.454 -3.502 1.00 1.00 C ATOM 490 CD1 PHE A 44 -8.508 3.697 -4.755 1.00 1.00 C ATOM 491 CD2 PHE A 44 -10.227 2.737 -3.410 1.00 1.00 C ATOM 492 CE1 PHE A 44 -9.136 3.233 -5.895 1.00 1.00 C ATOM 493 CE2 PHE A 44 -10.860 2.273 -4.546 1.00 1.00 C ATOM 494 CZ PHE A 44 -10.314 2.521 -5.790 1.00 1.00 C ATOM 0 H PHE A 44 -7.423 6.683 -3.012 1.00 1.00 H new ATOM 0 HA PHE A 44 -9.728 5.506 -1.693 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -7.277 3.840 -2.398 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -8.637 3.314 -1.426 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -7.588 4.255 -4.842 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -10.658 2.539 -2.440 1.00 1.00 H new ATOM 0 HE1 PHE A 44 -8.706 3.427 -6.867 1.00 1.00 H new ATOM 0 HE2 PHE A 44 -11.782 1.716 -4.462 1.00 1.00 H new ATOM 0 HZ PHE A 44 -10.808 2.158 -6.679 1.00 1.00 H new ATOM 504 N THR A 45 -8.443 5.585 0.491 1.00 1.00 N ATOM 505 CA THR A 45 -7.767 5.903 1.739 1.00 1.00 C ATOM 506 C THR A 45 -6.744 4.821 2.060 1.00 1.00 C ATOM 507 O THR A 45 -6.882 3.680 1.619 1.00 1.00 O ATOM 508 CB THR A 45 -8.775 6.028 2.883 1.00 1.00 C ATOM 509 OG1 THR A 45 -9.607 4.884 2.947 1.00 1.00 O ATOM 510 CG2 THR A 45 -9.672 7.241 2.761 1.00 1.00 C ATOM 0 H THR A 45 -9.378 5.192 0.603 1.00 1.00 H new ATOM 0 HA THR A 45 -7.257 6.859 1.626 1.00 1.00 H new ATOM 0 HB THR A 45 -8.174 6.130 3.786 1.00 1.00 H new ATOM 0 HG1 THR A 45 -10.243 4.983 3.686 1.00 1.00 H new ATOM 0 HG21 THR A 45 -10.362 7.269 3.604 1.00 1.00 H new ATOM 0 HG22 THR A 45 -9.063 8.145 2.760 1.00 1.00 H new ATOM 0 HG23 THR A 45 -10.237 7.183 1.831 1.00 1.00 H new ATOM 518 N MET A 46 -5.711 5.185 2.814 1.00 1.00 N ATOM 519 CA MET A 46 -4.658 4.244 3.177 1.00 1.00 C ATOM 520 C MET A 46 -5.228 2.885 3.577 1.00 1.00 C ATOM 521 O MET A 46 -4.688 1.845 3.205 1.00 1.00 O ATOM 522 CB MET A 46 -3.806 4.816 4.308 1.00 1.00 C ATOM 523 CG MET A 46 -2.321 4.770 4.008 1.00 1.00 C ATOM 524 SD MET A 46 -1.784 6.120 2.943 1.00 1.00 S ATOM 525 CE MET A 46 -1.245 5.201 1.503 1.00 1.00 C ATOM 0 H MET A 46 -5.581 6.126 3.186 1.00 1.00 H new ATOM 0 HA MET A 46 -4.031 4.092 2.298 1.00 1.00 H new ATOM 0 HB2 MET A 46 -4.102 5.848 4.493 1.00 1.00 H new ATOM 0 HB3 MET A 46 -4.004 4.258 5.223 1.00 1.00 H new ATOM 0 HG2 MET A 46 -1.764 4.808 4.944 1.00 1.00 H new ATOM 0 HG3 MET A 46 -2.080 3.819 3.532 1.00 1.00 H new ATOM 0 HE1 MET A 46 -0.705 5.865 0.829 1.00 1.00 H new ATOM 0 HE2 MET A 46 -0.589 4.388 1.815 1.00 1.00 H new ATOM 0 HE3 MET A 46 -2.113 4.789 0.988 1.00 1.00 H new ATOM 535 N LYS A 47 -6.323 2.898 4.327 1.00 1.00 N ATOM 536 CA LYS A 47 -6.958 1.659 4.761 1.00 1.00 C ATOM 537 C LYS A 47 -7.407 0.837 3.558 1.00 1.00 C ATOM 538 O LYS A 47 -6.987 -0.306 3.384 1.00 1.00 O ATOM 539 CB LYS A 47 -8.154 1.961 5.663 1.00 1.00 C ATOM 540 CG LYS A 47 -8.511 0.825 6.605 1.00 1.00 C ATOM 541 CD LYS A 47 -7.363 0.503 7.546 1.00 1.00 C ATOM 542 CE LYS A 47 -6.489 -0.611 6.996 1.00 1.00 C ATOM 543 NZ LYS A 47 -6.213 -1.658 8.018 1.00 1.00 N ATOM 0 H LYS A 47 -6.788 3.748 4.646 1.00 1.00 H new ATOM 0 HA LYS A 47 -6.227 1.080 5.326 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -7.939 2.854 6.250 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -9.019 2.190 5.040 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -9.394 1.095 7.185 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -8.769 -0.062 6.026 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -6.759 1.396 7.704 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -7.759 0.210 8.518 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -6.979 -1.065 6.135 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -5.547 -0.192 6.642 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -5.614 -2.399 7.602 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -5.722 -1.230 8.829 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -7.110 -2.076 8.337 1.00 1.00 H new ATOM 557 N GLU A 48 -8.258 1.431 2.726 1.00 1.00 N ATOM 558 CA GLU A 48 -8.758 0.754 1.533 1.00 1.00 C ATOM 559 C GLU A 48 -7.603 0.307 0.643 1.00 1.00 C ATOM 560 O GLU A 48 -7.536 -0.851 0.232 1.00 1.00 O ATOM 561 CB GLU A 48 -9.695 1.673 0.748 1.00 1.00 C ATOM 562 CG GLU A 48 -10.741 2.359 1.611 1.00 1.00 C ATOM 563 CD GLU A 48 -12.158 2.068 1.155 1.00 1.00 C ATOM 564 OE1 GLU A 48 -12.625 2.733 0.207 1.00 1.00 O ATOM 565 OE2 GLU A 48 -12.799 1.174 1.746 1.00 1.00 O ATOM 0 H GLU A 48 -8.615 2.378 2.855 1.00 1.00 H new ATOM 0 HA GLU A 48 -9.314 -0.127 1.853 1.00 1.00 H new ATOM 0 HB2 GLU A 48 -9.102 2.433 0.238 1.00 1.00 H new ATOM 0 HB3 GLU A 48 -10.198 1.091 -0.024 1.00 1.00 H new ATOM 0 HG2 GLU A 48 -10.623 2.035 2.645 1.00 1.00 H new ATOM 0 HG3 GLU A 48 -10.572 3.436 1.593 1.00 1.00 H new ATOM 572 N VAL A 49 -6.691 1.233 0.355 1.00 1.00 N ATOM 573 CA VAL A 49 -5.533 0.930 -0.481 1.00 1.00 C ATOM 574 C VAL A 49 -4.779 -0.278 0.061 1.00 1.00 C ATOM 575 O VAL A 49 -4.721 -1.327 -0.580 1.00 1.00 O ATOM 576 CB VAL A 49 -4.561 2.125 -0.566 1.00 1.00 C ATOM 577 CG1 VAL A 49 -3.526 1.894 -1.657 1.00 1.00 C ATOM 578 CG2 VAL A 49 -5.319 3.425 -0.804 1.00 1.00 C ATOM 0 H VAL A 49 -6.732 2.196 0.687 1.00 1.00 H new ATOM 0 HA VAL A 49 -5.912 0.714 -1.480 1.00 1.00 H new ATOM 0 HB VAL A 49 -4.040 2.210 0.387 1.00 1.00 H new ATOM 0 HG11 VAL A 49 -2.849 2.747 -1.703 1.00 1.00 H new ATOM 0 HG12 VAL A 49 -2.958 0.991 -1.434 1.00 1.00 H new ATOM 0 HG13 VAL A 49 -4.029 1.778 -2.617 1.00 1.00 H new ATOM 0 HG21 VAL A 49 -4.612 4.253 -0.860 1.00 1.00 H new ATOM 0 HG22 VAL A 49 -5.873 3.357 -1.740 1.00 1.00 H new ATOM 0 HG23 VAL A 49 -6.014 3.596 0.018 1.00 1.00 H new ATOM 588 N LEU A 50 -4.211 -0.121 1.251 1.00 1.00 N ATOM 589 CA LEU A 50 -3.466 -1.197 1.894 1.00 1.00 C ATOM 590 C LEU A 50 -4.311 -2.466 1.991 1.00 1.00 C ATOM 591 O LEU A 50 -3.779 -3.574 2.065 1.00 1.00 O ATOM 592 CB LEU A 50 -3.014 -0.760 3.290 1.00 1.00 C ATOM 593 CG LEU A 50 -1.545 -1.032 3.607 1.00 1.00 C ATOM 594 CD1 LEU A 50 -1.207 -0.566 5.015 1.00 1.00 C ATOM 595 CD2 LEU A 50 -1.227 -2.510 3.441 1.00 1.00 C ATOM 0 H LEU A 50 -4.252 0.743 1.791 1.00 1.00 H new ATOM 0 HA LEU A 50 -2.589 -1.417 1.285 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -3.202 0.308 3.399 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -3.630 -1.269 4.031 1.00 1.00 H new ATOM 0 HG LEU A 50 -0.932 -0.469 2.903 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -0.156 -0.768 5.223 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -1.394 0.505 5.099 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -1.828 -1.100 5.734 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -0.176 -2.684 3.671 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -1.849 -3.094 4.119 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -1.428 -2.812 2.413 1.00 1.00 H new ATOM 607 N TYR A 51 -5.629 -2.294 1.993 1.00 1.00 N ATOM 608 CA TYR A 51 -6.550 -3.424 2.084 1.00 1.00 C ATOM 609 C TYR A 51 -6.612 -4.196 0.768 1.00 1.00 C ATOM 610 O TYR A 51 -6.382 -5.407 0.739 1.00 1.00 O ATOM 611 CB TYR A 51 -7.949 -2.942 2.477 1.00 1.00 C ATOM 612 CG TYR A 51 -8.920 -4.067 2.758 1.00 1.00 C ATOM 613 CD1 TYR A 51 -8.802 -4.841 3.906 1.00 1.00 C ATOM 614 CD2 TYR A 51 -9.955 -4.354 1.877 1.00 1.00 C ATOM 615 CE1 TYR A 51 -9.688 -5.869 4.167 1.00 1.00 C ATOM 616 CE2 TYR A 51 -10.844 -5.381 2.131 1.00 1.00 C ATOM 617 CZ TYR A 51 -10.707 -6.135 3.277 1.00 1.00 C ATOM 618 OH TYR A 51 -11.591 -7.158 3.533 1.00 1.00 O ATOM 0 H TYR A 51 -6.084 -1.383 1.933 1.00 1.00 H new ATOM 0 HA TYR A 51 -6.176 -4.097 2.855 1.00 1.00 H new ATOM 0 HB2 TYR A 51 -7.871 -2.311 3.362 1.00 1.00 H new ATOM 0 HB3 TYR A 51 -8.348 -2.320 1.676 1.00 1.00 H new ATOM 0 HD1 TYR A 51 -8.005 -4.636 4.606 1.00 1.00 H new ATOM 0 HD2 TYR A 51 -10.067 -3.765 0.979 1.00 1.00 H new ATOM 0 HE1 TYR A 51 -9.583 -6.461 5.064 1.00 1.00 H new ATOM 0 HE2 TYR A 51 -11.642 -5.592 1.435 1.00 1.00 H new ATOM 0 HH TYR A 51 -12.248 -7.212 2.808 1.00 1.00 H new ATOM 628 N HIS A 52 -6.922 -3.498 -0.325 1.00 1.00 N ATOM 629 CA HIS A 52 -7.005 -4.147 -1.631 1.00 1.00 C ATOM 630 C HIS A 52 -5.722 -4.917 -1.920 1.00 1.00 C ATOM 631 O HIS A 52 -5.764 -6.063 -2.365 1.00 1.00 O ATOM 632 CB HIS A 52 -7.265 -3.133 -2.751 1.00 1.00 C ATOM 633 CG HIS A 52 -8.163 -1.999 -2.360 1.00 1.00 C ATOM 634 ND1 HIS A 52 -9.423 -2.185 -1.830 1.00 1.00 N ATOM 635 CD2 HIS A 52 -7.982 -0.659 -2.435 1.00 1.00 C ATOM 636 CE1 HIS A 52 -9.978 -1.008 -1.599 1.00 1.00 C ATOM 637 NE2 HIS A 52 -9.125 -0.067 -1.956 1.00 1.00 N ATOM 0 H HIS A 52 -7.117 -2.497 -0.332 1.00 1.00 H new ATOM 0 HA HIS A 52 -7.846 -4.840 -1.601 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -6.311 -2.726 -3.086 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -7.706 -3.653 -3.601 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -7.103 -0.151 -2.803 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -10.963 -0.844 -1.188 1.00 1.00 H new ATOM 0 HE2 HIS A 52 -9.288 0.938 -1.887 1.00 1.00 H new ATOM 646 N LEU A 53 -4.580 -4.283 -1.652 1.00 1.00 N ATOM 647 CA LEU A 53 -3.289 -4.903 -1.868 1.00 1.00 C ATOM 648 C LEU A 53 -3.260 -6.320 -1.304 1.00 1.00 C ATOM 649 O LEU A 53 -2.866 -7.262 -1.990 1.00 1.00 O ATOM 650 CB LEU A 53 -2.201 -4.045 -1.228 1.00 1.00 C ATOM 651 CG LEU A 53 -1.142 -3.538 -2.199 1.00 1.00 C ATOM 652 CD1 LEU A 53 -1.785 -2.940 -3.442 1.00 1.00 C ATOM 653 CD2 LEU A 53 -0.228 -2.526 -1.521 1.00 1.00 C ATOM 0 H LEU A 53 -4.532 -3.334 -1.282 1.00 1.00 H new ATOM 0 HA LEU A 53 -3.107 -4.973 -2.940 1.00 1.00 H new ATOM 0 HB2 LEU A 53 -2.670 -3.189 -0.742 1.00 1.00 H new ATOM 0 HB3 LEU A 53 -1.711 -4.626 -0.447 1.00 1.00 H new ATOM 0 HG LEU A 53 -0.535 -4.388 -2.511 1.00 1.00 H new ATOM 0 HD11 LEU A 53 -1.008 -2.585 -4.119 1.00 1.00 H new ATOM 0 HD12 LEU A 53 -2.384 -3.700 -3.943 1.00 1.00 H new ATOM 0 HD13 LEU A 53 -2.425 -2.105 -3.155 1.00 1.00 H new ATOM 0 HD21 LEU A 53 0.520 -2.177 -2.233 1.00 1.00 H new ATOM 0 HD22 LEU A 53 -0.819 -1.679 -1.172 1.00 1.00 H new ATOM 0 HD23 LEU A 53 0.269 -2.996 -0.673 1.00 1.00 H new ATOM 665 N GLY A 54 -3.697 -6.468 -0.056 1.00 1.00 N ATOM 666 CA GLY A 54 -3.728 -7.781 0.559 1.00 1.00 C ATOM 667 C GLY A 54 -4.523 -8.762 -0.277 1.00 1.00 C ATOM 668 O GLY A 54 -4.194 -9.947 -0.346 1.00 1.00 O ATOM 0 H GLY A 54 -4.028 -5.706 0.536 1.00 1.00 H new ATOM 0 HA2 GLY A 54 -2.710 -8.150 0.686 1.00 1.00 H new ATOM 0 HA3 GLY A 54 -4.167 -7.709 1.554 1.00 1.00 H new ATOM 672 N GLN A 55 -5.565 -8.254 -0.929 1.00 1.00 N ATOM 673 CA GLN A 55 -6.409 -9.076 -1.787 1.00 1.00 C ATOM 674 C GLN A 55 -5.800 -9.190 -3.182 1.00 1.00 C ATOM 675 O GLN A 55 -5.999 -10.183 -3.881 1.00 1.00 O ATOM 676 CB GLN A 55 -7.815 -8.481 -1.877 1.00 1.00 C ATOM 677 CG GLN A 55 -8.618 -8.617 -0.593 1.00 1.00 C ATOM 678 CD GLN A 55 -9.756 -7.619 -0.509 1.00 1.00 C ATOM 679 OE1 GLN A 55 -9.417 -6.353 -0.297 1.00 1.00 O flip ATOM 680 NE2 GLN A 55 -10.925 -7.982 -0.633 1.00 1.00 N flip ATOM 0 H GLN A 55 -5.845 -7.274 -0.878 1.00 1.00 H new ATOM 0 HA GLN A 55 -6.476 -10.073 -1.351 1.00 1.00 H new ATOM 0 HB2 GLN A 55 -7.738 -7.425 -2.137 1.00 1.00 H new ATOM 0 HB3 GLN A 55 -8.356 -8.970 -2.687 1.00 1.00 H new ATOM 0 HG2 GLN A 55 -9.020 -9.628 -0.526 1.00 1.00 H new ATOM 0 HG3 GLN A 55 -7.956 -8.480 0.262 1.00 1.00 H new ATOM 0 HE21 GLN A 55 -11.139 -8.966 -0.795 1.00 1.00 H new ATOM 0 HE22 GLN A 55 -11.680 -7.299 -0.574 1.00 1.00 H new ATOM 689 N TYR A 56 -5.052 -8.162 -3.578 1.00 1.00 N ATOM 690 CA TYR A 56 -4.405 -8.135 -4.885 1.00 1.00 C ATOM 691 C TYR A 56 -3.311 -9.197 -4.966 1.00 1.00 C ATOM 692 O TYR A 56 -3.180 -9.894 -5.972 1.00 1.00 O ATOM 693 CB TYR A 56 -3.811 -6.744 -5.149 1.00 1.00 C ATOM 694 CG TYR A 56 -2.927 -6.675 -6.375 1.00 1.00 C ATOM 695 CD1 TYR A 56 -3.472 -6.528 -7.644 1.00 1.00 C ATOM 696 CD2 TYR A 56 -1.547 -6.774 -6.261 1.00 1.00 C ATOM 697 CE1 TYR A 56 -2.667 -6.484 -8.766 1.00 1.00 C ATOM 698 CE2 TYR A 56 -0.733 -6.725 -7.377 1.00 1.00 C ATOM 699 CZ TYR A 56 -1.298 -6.582 -8.628 1.00 1.00 C ATOM 700 OH TYR A 56 -0.491 -6.538 -9.742 1.00 1.00 O ATOM 0 H TYR A 56 -4.879 -7.334 -3.008 1.00 1.00 H new ATOM 0 HA TYR A 56 -5.154 -8.353 -5.647 1.00 1.00 H new ATOM 0 HB2 TYR A 56 -4.625 -6.028 -5.260 1.00 1.00 H new ATOM 0 HB3 TYR A 56 -3.232 -6.436 -4.278 1.00 1.00 H new ATOM 0 HD1 TYR A 56 -4.543 -6.447 -7.756 1.00 1.00 H new ATOM 0 HD2 TYR A 56 -1.102 -6.891 -5.284 1.00 1.00 H new ATOM 0 HE1 TYR A 56 -3.107 -6.373 -9.746 1.00 1.00 H new ATOM 0 HE2 TYR A 56 0.339 -6.798 -7.271 1.00 1.00 H new ATOM 0 HH TYR A 56 0.447 -6.619 -9.470 1.00 1.00 H new ATOM 710 N ILE A 57 -2.527 -9.311 -3.899 1.00 1.00 N ATOM 711 CA ILE A 57 -1.442 -10.283 -3.845 1.00 1.00 C ATOM 712 C ILE A 57 -1.980 -11.708 -3.745 1.00 1.00 C ATOM 713 O ILE A 57 -1.625 -12.572 -4.547 1.00 1.00 O ATOM 714 CB ILE A 57 -0.504 -10.008 -2.652 1.00 1.00 C ATOM 715 CG1 ILE A 57 0.005 -8.566 -2.702 1.00 1.00 C ATOM 716 CG2 ILE A 57 0.662 -10.988 -2.645 1.00 1.00 C ATOM 717 CD1 ILE A 57 0.932 -8.212 -1.560 1.00 1.00 C ATOM 0 H ILE A 57 -2.623 -8.741 -3.059 1.00 1.00 H new ATOM 0 HA ILE A 57 -0.877 -10.181 -4.772 1.00 1.00 H new ATOM 0 HB ILE A 57 -1.068 -10.147 -1.730 1.00 1.00 H new ATOM 0 HG12 ILE A 57 0.527 -8.406 -3.646 1.00 1.00 H new ATOM 0 HG13 ILE A 57 -0.848 -7.888 -2.690 1.00 1.00 H new ATOM 0 HG21 ILE A 57 1.311 -10.776 -1.795 1.00 1.00 H new ATOM 0 HG22 ILE A 57 0.281 -12.006 -2.565 1.00 1.00 H new ATOM 0 HG23 ILE A 57 1.230 -10.885 -3.570 1.00 1.00 H new ATOM 0 HD11 ILE A 57 1.253 -7.175 -1.660 1.00 1.00 H new ATOM 0 HD12 ILE A 57 0.408 -8.339 -0.613 1.00 1.00 H new ATOM 0 HD13 ILE A 57 1.804 -8.866 -1.583 1.00 1.00 H new ATOM 729 N MET A 58 -2.835 -11.948 -2.756 1.00 1.00 N ATOM 730 CA MET A 58 -3.415 -13.272 -2.556 1.00 1.00 C ATOM 731 C MET A 58 -4.161 -13.736 -3.804 1.00 1.00 C ATOM 732 O MET A 58 -4.218 -14.931 -4.095 1.00 1.00 O ATOM 733 CB MET A 58 -4.360 -13.265 -1.352 1.00 1.00 C ATOM 734 CG MET A 58 -5.610 -12.425 -1.561 1.00 1.00 C ATOM 735 SD MET A 58 -7.104 -13.423 -1.719 1.00 1.00 S ATOM 736 CE MET A 58 -7.684 -13.437 -0.025 1.00 1.00 C ATOM 0 H MET A 58 -3.141 -11.246 -2.082 1.00 1.00 H new ATOM 0 HA MET A 58 -2.601 -13.970 -2.363 1.00 1.00 H new ATOM 0 HB2 MET A 58 -4.655 -14.290 -1.127 1.00 1.00 H new ATOM 0 HB3 MET A 58 -3.822 -12.890 -0.481 1.00 1.00 H new ATOM 0 HG2 MET A 58 -5.725 -11.738 -0.723 1.00 1.00 H new ATOM 0 HG3 MET A 58 -5.488 -11.817 -2.457 1.00 1.00 H new ATOM 0 HE1 MET A 58 -8.604 -14.017 0.040 1.00 1.00 H new ATOM 0 HE2 MET A 58 -6.926 -13.887 0.616 1.00 1.00 H new ATOM 0 HE3 MET A 58 -7.876 -12.415 0.302 1.00 1.00 H new ATOM 746 N ALA A 59 -4.727 -12.785 -4.541 1.00 1.00 N ATOM 747 CA ALA A 59 -5.462 -13.103 -5.759 1.00 1.00 C ATOM 748 C ALA A 59 -4.508 -13.504 -6.878 1.00 1.00 C ATOM 749 O ALA A 59 -4.592 -14.609 -7.413 1.00 1.00 O ATOM 750 CB ALA A 59 -6.315 -11.919 -6.186 1.00 1.00 C ATOM 0 H ALA A 59 -4.691 -11.791 -4.316 1.00 1.00 H new ATOM 0 HA ALA A 59 -6.118 -13.949 -5.552 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -6.858 -12.171 -7.097 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -7.025 -11.678 -5.395 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -5.674 -11.057 -6.373 1.00 1.00 H new ATOM 756 N LYS A 60 -3.594 -12.601 -7.221 1.00 1.00 N ATOM 757 CA LYS A 60 -2.618 -12.862 -8.269 1.00 1.00 C ATOM 758 C LYS A 60 -1.689 -14.008 -7.872 1.00 1.00 C ATOM 759 O LYS A 60 -1.072 -14.645 -8.726 1.00 1.00 O ATOM 760 CB LYS A 60 -1.803 -11.598 -8.546 1.00 1.00 C ATOM 761 CG LYS A 60 -2.355 -10.735 -9.672 1.00 1.00 C ATOM 762 CD LYS A 60 -3.855 -10.500 -9.543 1.00 1.00 C ATOM 763 CE LYS A 60 -4.154 -9.195 -8.824 1.00 1.00 C ATOM 764 NZ LYS A 60 -5.523 -9.183 -8.240 1.00 1.00 N ATOM 0 H LYS A 60 -3.511 -11.682 -6.787 1.00 1.00 H new ATOM 0 HA LYS A 60 -3.151 -13.152 -9.174 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -1.757 -11.001 -7.635 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -0.780 -11.885 -8.791 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -1.839 -9.775 -9.677 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -2.146 -11.214 -10.629 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -4.308 -10.483 -10.534 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -4.309 -11.329 -8.999 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -3.421 -9.040 -8.033 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -4.050 -8.364 -9.522 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -5.891 -8.210 -8.237 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -6.149 -9.788 -8.809 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -5.488 -9.543 -7.265 1.00 1.00 H new ATOM 778 N GLN A 61 -1.596 -14.267 -6.568 1.00 1.00 N ATOM 779 CA GLN A 61 -0.747 -15.336 -6.050 1.00 1.00 C ATOM 780 C GLN A 61 0.728 -14.952 -6.126 1.00 1.00 C ATOM 781 O GLN A 61 1.539 -15.671 -6.712 1.00 1.00 O ATOM 782 CB GLN A 61 -0.993 -16.639 -6.816 1.00 1.00 C ATOM 783 CG GLN A 61 -0.592 -17.885 -6.042 1.00 1.00 C ATOM 784 CD GLN A 61 -1.698 -18.921 -5.989 1.00 1.00 C ATOM 785 OE1 GLN A 61 -1.509 -20.070 -6.388 1.00 1.00 O ATOM 786 NE2 GLN A 61 -2.863 -18.518 -5.493 1.00 1.00 N ATOM 0 H GLN A 61 -2.101 -13.748 -5.850 1.00 1.00 H new ATOM 0 HA GLN A 61 -1.007 -15.490 -5.003 1.00 1.00 H new ATOM 0 HB2 GLN A 61 -2.050 -16.706 -7.073 1.00 1.00 H new ATOM 0 HB3 GLN A 61 -0.438 -16.610 -7.754 1.00 1.00 H new ATOM 0 HG2 GLN A 61 0.292 -18.326 -6.503 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -0.314 -17.603 -5.026 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -2.976 -17.556 -5.174 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -3.644 -19.171 -5.432 1.00 1.00 H new ATOM 795 N LEU A 62 1.070 -13.816 -5.526 1.00 1.00 N ATOM 796 CA LEU A 62 2.449 -13.339 -5.520 1.00 1.00 C ATOM 797 C LEU A 62 3.215 -13.874 -4.310 1.00 1.00 C ATOM 798 O LEU A 62 4.435 -13.734 -4.230 1.00 1.00 O ATOM 799 CB LEU A 62 2.485 -11.808 -5.515 1.00 1.00 C ATOM 800 CG LEU A 62 1.533 -11.118 -6.497 1.00 1.00 C ATOM 801 CD1 LEU A 62 1.950 -9.671 -6.706 1.00 1.00 C ATOM 802 CD2 LEU A 62 1.496 -11.855 -7.827 1.00 1.00 C ATOM 0 H LEU A 62 0.412 -13.209 -5.038 1.00 1.00 H new ATOM 0 HA LEU A 62 2.930 -13.709 -6.425 1.00 1.00 H new ATOM 0 HB2 LEU A 62 2.253 -11.461 -4.508 1.00 1.00 H new ATOM 0 HB3 LEU A 62 3.502 -11.486 -5.737 1.00 1.00 H new ATOM 0 HG LEU A 62 0.530 -11.137 -6.070 1.00 1.00 H new ATOM 0 HD11 LEU A 62 1.265 -9.192 -7.406 1.00 1.00 H new ATOM 0 HD12 LEU A 62 1.922 -9.143 -5.753 1.00 1.00 H new ATOM 0 HD13 LEU A 62 2.962 -9.639 -7.109 1.00 1.00 H new ATOM 0 HD21 LEU A 62 0.813 -11.345 -8.507 1.00 1.00 H new ATOM 0 HD22 LEU A 62 2.495 -11.871 -8.262 1.00 1.00 H new ATOM 0 HD23 LEU A 62 1.153 -12.877 -7.667 1.00 1.00 H new ATOM 814 N TYR A 63 2.495 -14.483 -3.370 1.00 1.00 N ATOM 815 CA TYR A 63 3.116 -15.029 -2.169 1.00 1.00 C ATOM 816 C TYR A 63 3.760 -16.383 -2.454 1.00 1.00 C ATOM 817 O TYR A 63 3.338 -17.105 -3.357 1.00 1.00 O ATOM 818 CB TYR A 63 2.078 -15.168 -1.054 1.00 1.00 C ATOM 819 CG TYR A 63 0.985 -16.166 -1.364 1.00 1.00 C ATOM 820 CD1 TYR A 63 1.191 -17.529 -1.184 1.00 1.00 C ATOM 821 CD2 TYR A 63 -0.252 -15.747 -1.838 1.00 1.00 C ATOM 822 CE1 TYR A 63 0.195 -18.444 -1.468 1.00 1.00 C ATOM 823 CE2 TYR A 63 -1.253 -16.656 -2.124 1.00 1.00 C ATOM 824 CZ TYR A 63 -1.024 -18.003 -1.937 1.00 1.00 C ATOM 825 OH TYR A 63 -2.018 -18.912 -2.221 1.00 1.00 O ATOM 0 H TYR A 63 1.484 -14.610 -3.418 1.00 1.00 H new ATOM 0 HA TYR A 63 3.896 -14.339 -1.847 1.00 1.00 H new ATOM 0 HB2 TYR A 63 2.582 -15.468 -0.135 1.00 1.00 H new ATOM 0 HB3 TYR A 63 1.626 -14.194 -0.866 1.00 1.00 H new ATOM 0 HD1 TYR A 63 2.145 -17.878 -0.816 1.00 1.00 H new ATOM 0 HD2 TYR A 63 -0.434 -14.693 -1.985 1.00 1.00 H new ATOM 0 HE1 TYR A 63 0.371 -19.500 -1.323 1.00 1.00 H new ATOM 0 HE2 TYR A 63 -2.209 -16.313 -2.492 1.00 1.00 H new ATOM 0 HH TYR A 63 -2.814 -18.437 -2.541 1.00 1.00 H new ATOM 835 N ASP A 64 4.785 -16.718 -1.678 1.00 1.00 N ATOM 836 CA ASP A 64 5.491 -17.983 -1.846 1.00 1.00 C ATOM 837 C ASP A 64 4.762 -19.115 -1.129 1.00 1.00 C ATOM 838 O ASP A 64 4.175 -18.914 -0.066 1.00 1.00 O ATOM 839 CB ASP A 64 6.921 -17.866 -1.314 1.00 1.00 C ATOM 840 CG ASP A 64 7.748 -19.103 -1.603 1.00 1.00 C ATOM 841 OD1 ASP A 64 7.408 -19.837 -2.555 1.00 1.00 O ATOM 842 OD2 ASP A 64 8.737 -19.339 -0.876 1.00 1.00 O ATOM 0 H ASP A 64 5.146 -16.131 -0.926 1.00 1.00 H new ATOM 0 HA ASP A 64 5.522 -18.213 -2.911 1.00 1.00 H new ATOM 0 HB2 ASP A 64 7.403 -16.997 -1.763 1.00 1.00 H new ATOM 0 HB3 ASP A 64 6.893 -17.694 -0.238 1.00 1.00 H new ATOM 847 N GLU A 65 4.806 -20.307 -1.717 1.00 1.00 N ATOM 848 CA GLU A 65 4.152 -21.471 -1.132 1.00 1.00 C ATOM 849 C GLU A 65 4.782 -21.829 0.210 1.00 1.00 C ATOM 850 O GLU A 65 4.079 -22.066 1.193 1.00 1.00 O ATOM 851 CB GLU A 65 4.241 -22.665 -2.085 1.00 1.00 C ATOM 852 CG GLU A 65 3.059 -22.776 -3.035 1.00 1.00 C ATOM 853 CD GLU A 65 3.097 -24.042 -3.868 1.00 1.00 C ATOM 854 OE1 GLU A 65 3.315 -25.127 -3.290 1.00 1.00 O ATOM 855 OE2 GLU A 65 2.910 -23.947 -5.100 1.00 1.00 O ATOM 0 H GLU A 65 5.287 -20.491 -2.597 1.00 1.00 H new ATOM 0 HA GLU A 65 3.103 -21.224 -0.968 1.00 1.00 H new ATOM 0 HB2 GLU A 65 5.159 -22.586 -2.668 1.00 1.00 H new ATOM 0 HB3 GLU A 65 4.313 -23.582 -1.500 1.00 1.00 H new ATOM 0 HG2 GLU A 65 2.133 -22.751 -2.461 1.00 1.00 H new ATOM 0 HG3 GLU A 65 3.047 -21.910 -3.697 1.00 1.00 H new ATOM 862 N LYS A 66 6.110 -21.862 0.246 1.00 1.00 N ATOM 863 CA LYS A 66 6.834 -22.186 1.470 1.00 1.00 C ATOM 864 C LYS A 66 6.496 -21.188 2.572 1.00 1.00 C ATOM 865 O LYS A 66 6.089 -21.572 3.669 1.00 1.00 O ATOM 866 CB LYS A 66 8.342 -22.189 1.213 1.00 1.00 C ATOM 867 CG LYS A 66 8.801 -23.316 0.302 1.00 1.00 C ATOM 868 CD LYS A 66 10.316 -23.359 0.187 1.00 1.00 C ATOM 869 CE LYS A 66 10.910 -24.459 1.052 1.00 1.00 C ATOM 870 NZ LYS A 66 12.213 -24.054 1.649 1.00 1.00 N ATOM 0 H LYS A 66 6.707 -21.668 -0.558 1.00 1.00 H new ATOM 0 HA LYS A 66 6.529 -23.181 1.794 1.00 1.00 H new ATOM 0 HB2 LYS A 66 8.629 -21.235 0.770 1.00 1.00 H new ATOM 0 HB3 LYS A 66 8.865 -22.268 2.166 1.00 1.00 H new ATOM 0 HG2 LYS A 66 8.437 -24.268 0.688 1.00 1.00 H new ATOM 0 HG3 LYS A 66 8.364 -23.186 -0.688 1.00 1.00 H new ATOM 0 HD2 LYS A 66 10.598 -23.520 -0.853 1.00 1.00 H new ATOM 0 HD3 LYS A 66 10.732 -22.396 0.484 1.00 1.00 H new ATOM 0 HE2 LYS A 66 10.210 -24.713 1.848 1.00 1.00 H new ATOM 0 HE3 LYS A 66 11.050 -25.358 0.451 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 12.585 -24.831 2.231 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 12.890 -23.836 0.890 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 12.076 -23.212 2.243 1.00 1.00 H new ATOM 884 N GLN A 67 6.660 -19.905 2.269 1.00 1.00 N ATOM 885 CA GLN A 67 6.365 -18.847 3.229 1.00 1.00 C ATOM 886 C GLN A 67 5.266 -17.935 2.695 1.00 1.00 C ATOM 887 O GLN A 67 5.389 -17.366 1.611 1.00 1.00 O ATOM 888 CB GLN A 67 7.623 -18.024 3.543 1.00 1.00 C ATOM 889 CG GLN A 67 8.664 -18.026 2.433 1.00 1.00 C ATOM 890 CD GLN A 67 9.399 -19.348 2.321 1.00 1.00 C ATOM 891 OE1 GLN A 67 9.176 -20.264 3.113 1.00 1.00 O ATOM 892 NE2 GLN A 67 10.283 -19.453 1.336 1.00 1.00 N ATOM 0 H GLN A 67 6.996 -19.572 1.365 1.00 1.00 H new ATOM 0 HA GLN A 67 6.020 -19.316 4.151 1.00 1.00 H new ATOM 0 HB2 GLN A 67 7.328 -16.995 3.747 1.00 1.00 H new ATOM 0 HB3 GLN A 67 8.079 -18.412 4.454 1.00 1.00 H new ATOM 0 HG2 GLN A 67 8.177 -17.804 1.483 1.00 1.00 H new ATOM 0 HG3 GLN A 67 9.385 -17.229 2.615 1.00 1.00 H new ATOM 0 HE21 GLN A 67 10.436 -18.668 0.702 1.00 1.00 H new ATOM 0 HE22 GLN A 67 10.809 -20.318 1.213 1.00 1.00 H new ATOM 901 N GLN A 68 4.189 -17.806 3.462 1.00 1.00 N ATOM 902 CA GLN A 68 3.065 -16.967 3.065 1.00 1.00 C ATOM 903 C GLN A 68 3.345 -15.493 3.345 1.00 1.00 C ATOM 904 O GLN A 68 2.664 -14.614 2.816 1.00 1.00 O ATOM 905 CB GLN A 68 1.795 -17.405 3.797 1.00 1.00 C ATOM 906 CG GLN A 68 1.055 -18.538 3.104 1.00 1.00 C ATOM 907 CD GLN A 68 1.537 -19.905 3.548 1.00 1.00 C ATOM 908 OE1 GLN A 68 1.600 -20.197 4.742 1.00 1.00 O ATOM 909 NE2 GLN A 68 1.882 -20.752 2.584 1.00 1.00 N ATOM 0 H GLN A 68 4.071 -18.272 4.362 1.00 1.00 H new ATOM 0 HA GLN A 68 2.922 -17.086 1.991 1.00 1.00 H new ATOM 0 HB2 GLN A 68 2.057 -17.718 4.808 1.00 1.00 H new ATOM 0 HB3 GLN A 68 1.126 -16.549 3.892 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -0.012 -18.449 3.308 1.00 1.00 H new ATOM 0 HG3 GLN A 68 1.182 -18.444 2.026 1.00 1.00 H new ATOM 0 HE21 GLN A 68 1.814 -20.468 1.607 1.00 1.00 H new ATOM 0 HE22 GLN A 68 2.215 -21.686 2.821 1.00 1.00 H new ATOM 918 N HIS A 69 4.348 -15.224 4.177 1.00 1.00 N ATOM 919 CA HIS A 69 4.705 -13.851 4.517 1.00 1.00 C ATOM 920 C HIS A 69 5.776 -13.305 3.571 1.00 1.00 C ATOM 921 O HIS A 69 6.370 -12.259 3.833 1.00 1.00 O ATOM 922 CB HIS A 69 5.175 -13.764 5.974 1.00 1.00 C ATOM 923 CG HIS A 69 6.523 -14.370 6.224 1.00 1.00 C ATOM 924 ND1 HIS A 69 7.704 -13.742 5.888 1.00 1.00 N ATOM 925 CD2 HIS A 69 6.875 -15.549 6.792 1.00 1.00 C ATOM 926 CE1 HIS A 69 8.723 -14.508 6.237 1.00 1.00 C ATOM 927 NE2 HIS A 69 8.246 -15.609 6.787 1.00 1.00 N ATOM 0 H HIS A 69 4.925 -15.935 4.626 1.00 1.00 H new ATOM 0 HA HIS A 69 3.814 -13.234 4.402 1.00 1.00 H new ATOM 0 HB2 HIS A 69 5.199 -12.716 6.274 1.00 1.00 H new ATOM 0 HB3 HIS A 69 4.442 -14.261 6.610 1.00 1.00 H new ATOM 0 HD1 HIS A 69 7.779 -12.829 5.440 1.00 1.00 H new ATOM 0 HD2 HIS A 69 6.202 -16.301 7.177 1.00 1.00 H new ATOM 0 HE1 HIS A 69 9.768 -14.273 6.096 1.00 1.00 H new ATOM 936 N ILE A 70 6.009 -14.011 2.466 1.00 1.00 N ATOM 937 CA ILE A 70 6.995 -13.588 1.478 1.00 1.00 C ATOM 938 C ILE A 70 6.340 -13.402 0.112 1.00 1.00 C ATOM 939 O ILE A 70 5.542 -14.232 -0.322 1.00 1.00 O ATOM 940 CB ILE A 70 8.152 -14.604 1.354 1.00 1.00 C ATOM 941 CG1 ILE A 70 8.931 -14.684 2.667 1.00 1.00 C ATOM 942 CG2 ILE A 70 9.084 -14.223 0.210 1.00 1.00 C ATOM 943 CD1 ILE A 70 9.498 -13.354 3.110 1.00 1.00 C ATOM 0 H ILE A 70 5.527 -14.879 2.234 1.00 1.00 H new ATOM 0 HA ILE A 70 7.405 -12.638 1.821 1.00 1.00 H new ATOM 0 HB ILE A 70 7.726 -15.584 1.138 1.00 1.00 H new ATOM 0 HG12 ILE A 70 8.275 -15.069 3.447 1.00 1.00 H new ATOM 0 HG13 ILE A 70 9.746 -15.399 2.554 1.00 1.00 H new ATOM 0 HG21 ILE A 70 9.892 -14.952 0.141 1.00 1.00 H new ATOM 0 HG22 ILE A 70 8.525 -14.210 -0.726 1.00 1.00 H new ATOM 0 HG23 ILE A 70 9.503 -13.234 0.396 1.00 1.00 H new ATOM 0 HD11 ILE A 70 10.038 -13.483 4.048 1.00 1.00 H new ATOM 0 HD12 ILE A 70 10.180 -12.977 2.348 1.00 1.00 H new ATOM 0 HD13 ILE A 70 8.685 -12.642 3.254 1.00 1.00 H new ATOM 955 N VAL A 71 6.682 -12.308 -0.559 1.00 1.00 N ATOM 956 CA VAL A 71 6.125 -12.015 -1.873 1.00 1.00 C ATOM 957 C VAL A 71 7.229 -11.752 -2.891 1.00 1.00 C ATOM 958 O VAL A 71 7.825 -10.675 -2.907 1.00 1.00 O ATOM 959 CB VAL A 71 5.188 -10.793 -1.827 1.00 1.00 C ATOM 960 CG1 VAL A 71 4.413 -10.666 -3.130 1.00 1.00 C ATOM 961 CG2 VAL A 71 4.240 -10.888 -0.639 1.00 1.00 C ATOM 0 H VAL A 71 7.342 -11.610 -0.215 1.00 1.00 H new ATOM 0 HA VAL A 71 5.553 -12.892 -2.176 1.00 1.00 H new ATOM 0 HB VAL A 71 5.796 -9.897 -1.704 1.00 1.00 H new ATOM 0 HG11 VAL A 71 3.756 -9.798 -3.080 1.00 1.00 H new ATOM 0 HG12 VAL A 71 5.111 -10.545 -3.958 1.00 1.00 H new ATOM 0 HG13 VAL A 71 3.816 -11.564 -3.287 1.00 1.00 H new ATOM 0 HG21 VAL A 71 3.587 -10.016 -0.624 1.00 1.00 H new ATOM 0 HG22 VAL A 71 3.637 -11.792 -0.726 1.00 1.00 H new ATOM 0 HG23 VAL A 71 4.817 -10.925 0.285 1.00 1.00 H new ATOM 971 N HIS A 72 7.497 -12.738 -3.742 1.00 1.00 N ATOM 972 CA HIS A 72 8.530 -12.599 -4.761 1.00 1.00 C ATOM 973 C HIS A 72 7.983 -12.920 -6.150 1.00 1.00 C ATOM 974 O HIS A 72 7.877 -14.084 -6.538 1.00 1.00 O ATOM 975 CB HIS A 72 9.724 -13.503 -4.438 1.00 1.00 C ATOM 976 CG HIS A 72 9.425 -14.967 -4.547 1.00 1.00 C ATOM 977 ND1 HIS A 72 8.502 -15.610 -3.749 1.00 1.00 N ATOM 978 CD2 HIS A 72 9.931 -15.915 -5.372 1.00 1.00 C ATOM 979 CE1 HIS A 72 8.454 -16.889 -4.078 1.00 1.00 C ATOM 980 NE2 HIS A 72 9.311 -17.099 -5.060 1.00 1.00 N ATOM 0 H HIS A 72 7.016 -13.637 -3.746 1.00 1.00 H new ATOM 0 HA HIS A 72 8.863 -11.561 -4.761 1.00 1.00 H new ATOM 0 HB2 HIS A 72 10.545 -13.259 -5.112 1.00 1.00 H new ATOM 0 HB3 HIS A 72 10.068 -13.287 -3.426 1.00 1.00 H new ATOM 0 HD2 HIS A 72 10.682 -15.767 -6.133 1.00 1.00 H new ATOM 0 HE1 HIS A 72 7.821 -17.636 -3.621 1.00 1.00 H new ATOM 0 HE2 HIS A 72 9.484 -17.996 -5.513 1.00 1.00 H new ATOM 989 N CYS A 73 7.644 -11.875 -6.896 1.00 1.00 N ATOM 990 CA CYS A 73 7.118 -12.035 -8.245 1.00 1.00 C ATOM 991 C CYS A 73 7.862 -11.130 -9.220 1.00 1.00 C ATOM 992 O CYS A 73 7.619 -9.924 -9.266 1.00 1.00 O ATOM 993 CB CYS A 73 5.621 -11.722 -8.279 1.00 1.00 C ATOM 994 SG CYS A 73 4.664 -12.842 -9.327 1.00 1.00 S ATOM 0 H CYS A 73 7.725 -10.906 -6.588 1.00 1.00 H new ATOM 0 HA CYS A 73 7.266 -13.072 -8.547 1.00 1.00 H new ATOM 0 HB2 CYS A 73 5.227 -11.765 -7.263 1.00 1.00 H new ATOM 0 HB3 CYS A 73 5.481 -10.700 -8.632 1.00 1.00 H new ATOM 0 HG CYS A 73 4.013 -12.153 -10.217 1.00 1.00 H new ATOM 1000 N SER A 74 8.775 -11.711 -9.991 1.00 1.00 N ATOM 1001 CA SER A 74 9.552 -10.937 -10.951 1.00 1.00 C ATOM 1002 C SER A 74 8.665 -10.360 -12.032 1.00 1.00 C ATOM 1003 O SER A 74 8.745 -9.167 -12.327 1.00 1.00 O ATOM 1004 CB SER A 74 10.658 -11.793 -11.570 1.00 1.00 C ATOM 1005 OG SER A 74 11.860 -11.687 -10.827 1.00 1.00 O ATOM 0 H SER A 74 8.994 -12.707 -9.970 1.00 1.00 H new ATOM 0 HA SER A 74 10.014 -10.109 -10.413 1.00 1.00 H new ATOM 0 HB2 SER A 74 10.339 -12.835 -11.606 1.00 1.00 H new ATOM 0 HB3 SER A 74 10.833 -11.478 -12.599 1.00 1.00 H new ATOM 0 HG SER A 74 12.283 -10.822 -11.011 1.00 1.00 H new ATOM 1011 N ASN A 75 7.798 -11.178 -12.609 1.00 1.00 N ATOM 1012 CA ASN A 75 6.905 -10.666 -13.626 1.00 1.00 C ATOM 1013 C ASN A 75 5.538 -10.412 -13.020 1.00 1.00 C ATOM 1014 O ASN A 75 4.682 -11.296 -12.978 1.00 1.00 O ATOM 1015 CB ASN A 75 6.793 -11.655 -14.789 1.00 1.00 C ATOM 1016 CG ASN A 75 6.824 -10.965 -16.139 1.00 1.00 C ATOM 1017 OD1 ASN A 75 6.734 -9.741 -16.226 1.00 1.00 O ATOM 1018 ND2 ASN A 75 6.952 -11.751 -17.202 1.00 1.00 N ATOM 0 H ASN A 75 7.697 -12.170 -12.396 1.00 1.00 H new ATOM 0 HA ASN A 75 7.307 -9.729 -14.012 1.00 1.00 H new ATOM 0 HB2 ASN A 75 7.611 -12.373 -14.732 1.00 1.00 H new ATOM 0 HB3 ASN A 75 5.866 -12.220 -14.694 1.00 1.00 H new ATOM 0 HD21 ASN A 75 6.979 -11.344 -18.137 1.00 1.00 H new ATOM 0 HD22 ASN A 75 7.023 -12.762 -17.083 1.00 1.00 H new ATOM 1025 N ASP A 76 5.343 -9.184 -12.563 1.00 1.00 N ATOM 1026 CA ASP A 76 4.075 -8.781 -11.966 1.00 1.00 C ATOM 1027 C ASP A 76 3.946 -7.259 -11.933 1.00 1.00 C ATOM 1028 O ASP A 76 4.922 -6.556 -11.671 1.00 1.00 O ATOM 1029 CB ASP A 76 3.939 -9.358 -10.554 1.00 1.00 C ATOM 1030 CG ASP A 76 2.618 -10.072 -10.352 1.00 1.00 C ATOM 1031 OD1 ASP A 76 2.555 -11.291 -10.619 1.00 1.00 O ATOM 1032 OD2 ASP A 76 1.647 -9.413 -9.926 1.00 1.00 O ATOM 0 H ASP A 76 6.047 -8.447 -12.594 1.00 1.00 H new ATOM 0 HA ASP A 76 3.270 -9.178 -12.584 1.00 1.00 H new ATOM 0 HB2 ASP A 76 4.758 -10.053 -10.367 1.00 1.00 H new ATOM 0 HB3 ASP A 76 4.030 -8.553 -9.824 1.00 1.00 H new ATOM 1037 N PRO A 77 2.739 -6.724 -12.188 1.00 1.00 N ATOM 1038 CA PRO A 77 2.512 -5.281 -12.172 1.00 1.00 C ATOM 1039 C PRO A 77 3.011 -4.645 -10.879 1.00 1.00 C ATOM 1040 O PRO A 77 3.390 -3.474 -10.855 1.00 1.00 O ATOM 1041 CB PRO A 77 0.992 -5.139 -12.276 1.00 1.00 C ATOM 1042 CG PRO A 77 0.491 -6.431 -12.823 1.00 1.00 C ATOM 1043 CD PRO A 77 1.517 -7.483 -12.503 1.00 1.00 C ATOM 0 HA PRO A 77 3.048 -4.780 -12.978 1.00 1.00 H new ATOM 0 HB2 PRO A 77 0.553 -4.933 -11.300 1.00 1.00 H new ATOM 0 HB3 PRO A 77 0.722 -4.309 -12.929 1.00 1.00 H new ATOM 0 HG2 PRO A 77 -0.472 -6.687 -12.381 1.00 1.00 H new ATOM 0 HG3 PRO A 77 0.339 -6.359 -13.900 1.00 1.00 H new ATOM 0 HD2 PRO A 77 1.204 -8.099 -11.660 1.00 1.00 H new ATOM 0 HD3 PRO A 77 1.674 -8.154 -13.347 1.00 1.00 H new ATOM 1051 N LEU A 78 3.011 -5.429 -9.806 1.00 1.00 N ATOM 1052 CA LEU A 78 3.466 -4.951 -8.507 1.00 1.00 C ATOM 1053 C LEU A 78 4.981 -4.785 -8.496 1.00 1.00 C ATOM 1054 O LEU A 78 5.502 -3.764 -8.046 1.00 1.00 O ATOM 1055 CB LEU A 78 3.037 -5.921 -7.405 1.00 1.00 C ATOM 1056 CG LEU A 78 2.644 -5.266 -6.080 1.00 1.00 C ATOM 1057 CD1 LEU A 78 1.559 -4.224 -6.302 1.00 1.00 C ATOM 1058 CD2 LEU A 78 2.180 -6.317 -5.083 1.00 1.00 C ATOM 0 H LEU A 78 2.700 -6.400 -9.811 1.00 1.00 H new ATOM 0 HA LEU A 78 3.009 -3.979 -8.320 1.00 1.00 H new ATOM 0 HB2 LEU A 78 2.192 -6.507 -7.767 1.00 1.00 H new ATOM 0 HB3 LEU A 78 3.853 -6.619 -7.219 1.00 1.00 H new ATOM 0 HG LEU A 78 3.521 -4.766 -5.669 1.00 1.00 H new ATOM 0 HD11 LEU A 78 1.292 -3.768 -5.349 1.00 1.00 H new ATOM 0 HD12 LEU A 78 1.927 -3.455 -6.981 1.00 1.00 H new ATOM 0 HD13 LEU A 78 0.680 -4.701 -6.735 1.00 1.00 H new ATOM 0 HD21 LEU A 78 1.904 -5.833 -4.146 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.316 -6.845 -5.487 1.00 1.00 H new ATOM 0 HD23 LEU A 78 2.987 -7.027 -4.901 1.00 1.00 H new ATOM 1070 N GLY A 79 5.684 -5.796 -8.999 1.00 1.00 N ATOM 1071 CA GLY A 79 7.132 -5.741 -9.042 1.00 1.00 C ATOM 1072 C GLY A 79 7.636 -4.592 -9.892 1.00 1.00 C ATOM 1073 O GLY A 79 8.625 -3.944 -9.549 1.00 1.00 O ATOM 0 H GLY A 79 5.276 -6.651 -9.377 1.00 1.00 H new ATOM 0 HA2 GLY A 79 7.520 -5.639 -8.029 1.00 1.00 H new ATOM 0 HA3 GLY A 79 7.518 -6.680 -9.438 1.00 1.00 H new ATOM 1077 N GLU A 80 6.950 -4.336 -11.001 1.00 1.00 N ATOM 1078 CA GLU A 80 7.329 -3.254 -11.901 1.00 1.00 C ATOM 1079 C GLU A 80 6.989 -1.896 -11.288 1.00 1.00 C ATOM 1080 O GLU A 80 7.601 -0.882 -11.622 1.00 1.00 O ATOM 1081 CB GLU A 80 6.632 -3.423 -13.259 1.00 1.00 C ATOM 1082 CG GLU A 80 5.226 -2.843 -13.317 1.00 1.00 C ATOM 1083 CD GLU A 80 5.172 -1.516 -14.049 1.00 1.00 C ATOM 1084 OE1 GLU A 80 5.713 -0.523 -13.518 1.00 1.00 O ATOM 1085 OE2 GLU A 80 4.589 -1.470 -15.152 1.00 1.00 O ATOM 0 H GLU A 80 6.129 -4.863 -11.298 1.00 1.00 H new ATOM 0 HA GLU A 80 8.407 -3.296 -12.056 1.00 1.00 H new ATOM 0 HB2 GLU A 80 7.241 -2.948 -14.028 1.00 1.00 H new ATOM 0 HB3 GLU A 80 6.585 -4.485 -13.501 1.00 1.00 H new ATOM 0 HG2 GLU A 80 4.564 -3.554 -13.812 1.00 1.00 H new ATOM 0 HG3 GLU A 80 4.850 -2.710 -12.303 1.00 1.00 H new ATOM 1092 N LEU A 81 6.007 -1.888 -10.391 1.00 1.00 N ATOM 1093 CA LEU A 81 5.582 -0.660 -9.730 1.00 1.00 C ATOM 1094 C LEU A 81 6.552 -0.278 -8.618 1.00 1.00 C ATOM 1095 O LEU A 81 7.173 0.784 -8.658 1.00 1.00 O ATOM 1096 CB LEU A 81 4.175 -0.833 -9.154 1.00 1.00 C ATOM 1097 CG LEU A 81 3.624 0.383 -8.407 1.00 1.00 C ATOM 1098 CD1 LEU A 81 3.470 1.567 -9.348 1.00 1.00 C ATOM 1099 CD2 LEU A 81 2.293 0.044 -7.752 1.00 1.00 C ATOM 0 H LEU A 81 5.491 -2.720 -10.106 1.00 1.00 H new ATOM 0 HA LEU A 81 5.573 0.140 -10.471 1.00 1.00 H new ATOM 0 HB2 LEU A 81 3.494 -1.079 -9.969 1.00 1.00 H new ATOM 0 HB3 LEU A 81 4.180 -1.685 -8.475 1.00 1.00 H new ATOM 0 HG LEU A 81 4.334 0.658 -7.627 1.00 1.00 H new ATOM 0 HD11 LEU A 81 3.077 2.421 -8.797 1.00 1.00 H new ATOM 0 HD12 LEU A 81 4.441 1.824 -9.771 1.00 1.00 H new ATOM 0 HD13 LEU A 81 2.782 1.306 -10.152 1.00 1.00 H new ATOM 0 HD21 LEU A 81 1.914 0.919 -7.224 1.00 1.00 H new ATOM 0 HD22 LEU A 81 1.577 -0.257 -8.517 1.00 1.00 H new ATOM 0 HD23 LEU A 81 2.433 -0.773 -7.045 1.00 1.00 H new ATOM 1111 N PHE A 82 6.676 -1.152 -7.626 1.00 1.00 N ATOM 1112 CA PHE A 82 7.571 -0.909 -6.499 1.00 1.00 C ATOM 1113 C PHE A 82 9.029 -0.910 -6.949 1.00 1.00 C ATOM 1114 O PHE A 82 9.879 -0.270 -6.330 1.00 1.00 O ATOM 1115 CB PHE A 82 7.361 -1.966 -5.412 1.00 1.00 C ATOM 1116 CG PHE A 82 5.993 -1.928 -4.791 1.00 1.00 C ATOM 1117 CD1 PHE A 82 5.384 -0.719 -4.495 1.00 1.00 C ATOM 1118 CD2 PHE A 82 5.317 -3.103 -4.503 1.00 1.00 C ATOM 1119 CE1 PHE A 82 4.127 -0.682 -3.924 1.00 1.00 C ATOM 1120 CE2 PHE A 82 4.059 -3.072 -3.931 1.00 1.00 C ATOM 1121 CZ PHE A 82 3.463 -1.860 -3.641 1.00 1.00 C ATOM 0 H PHE A 82 6.168 -2.035 -7.578 1.00 1.00 H new ATOM 0 HA PHE A 82 7.336 0.074 -6.090 1.00 1.00 H new ATOM 0 HB2 PHE A 82 7.529 -2.954 -5.841 1.00 1.00 H new ATOM 0 HB3 PHE A 82 8.109 -1.826 -4.632 1.00 1.00 H new ATOM 0 HD1 PHE A 82 5.898 0.205 -4.713 1.00 1.00 H new ATOM 0 HD2 PHE A 82 5.778 -4.053 -4.728 1.00 1.00 H new ATOM 0 HE1 PHE A 82 3.663 0.267 -3.699 1.00 1.00 H new ATOM 0 HE2 PHE A 82 3.542 -3.995 -3.711 1.00 1.00 H new ATOM 0 HZ PHE A 82 2.480 -1.833 -3.194 1.00 1.00 H new ATOM 1131 N GLY A 83 9.313 -1.631 -8.029 1.00 1.00 N ATOM 1132 CA GLY A 83 10.669 -1.698 -8.540 1.00 1.00 C ATOM 1133 C GLY A 83 11.481 -2.805 -7.895 1.00 1.00 C ATOM 1134 O GLY A 83 12.708 -2.726 -7.830 1.00 1.00 O ATOM 0 H GLY A 83 8.628 -2.170 -8.559 1.00 1.00 H new ATOM 0 HA2 GLY A 83 10.640 -1.855 -9.618 1.00 1.00 H new ATOM 0 HA3 GLY A 83 11.165 -0.742 -8.370 1.00 1.00 H new ATOM 1138 N VAL A 84 10.796 -3.839 -7.416 1.00 1.00 N ATOM 1139 CA VAL A 84 11.463 -4.965 -6.775 1.00 1.00 C ATOM 1140 C VAL A 84 10.889 -6.291 -7.260 1.00 1.00 C ATOM 1141 O VAL A 84 9.812 -6.332 -7.856 1.00 1.00 O ATOM 1142 CB VAL A 84 11.340 -4.894 -5.241 1.00 1.00 C ATOM 1143 CG1 VAL A 84 12.031 -3.649 -4.706 1.00 1.00 C ATOM 1144 CG2 VAL A 84 9.879 -4.925 -4.818 1.00 1.00 C ATOM 0 H VAL A 84 9.780 -3.920 -7.460 1.00 1.00 H new ATOM 0 HA VAL A 84 12.516 -4.906 -7.049 1.00 1.00 H new ATOM 0 HB VAL A 84 11.835 -5.767 -4.816 1.00 1.00 H new ATOM 0 HG11 VAL A 84 11.933 -3.617 -3.621 1.00 1.00 H new ATOM 0 HG12 VAL A 84 13.087 -3.675 -4.975 1.00 1.00 H new ATOM 0 HG13 VAL A 84 11.568 -2.762 -5.139 1.00 1.00 H new ATOM 0 HG21 VAL A 84 9.814 -4.874 -3.731 1.00 1.00 H new ATOM 0 HG22 VAL A 84 9.356 -4.073 -5.253 1.00 1.00 H new ATOM 0 HG23 VAL A 84 9.419 -5.850 -5.166 1.00 1.00 H new ATOM 1154 N GLN A 85 11.614 -7.375 -7.004 1.00 1.00 N ATOM 1155 CA GLN A 85 11.176 -8.703 -7.417 1.00 1.00 C ATOM 1156 C GLN A 85 10.783 -9.554 -6.211 1.00 1.00 C ATOM 1157 O GLN A 85 10.015 -10.507 -6.340 1.00 1.00 O ATOM 1158 CB GLN A 85 12.280 -9.403 -8.210 1.00 1.00 C ATOM 1159 CG GLN A 85 12.848 -8.558 -9.340 1.00 1.00 C ATOM 1160 CD GLN A 85 11.870 -8.381 -10.485 1.00 1.00 C ATOM 1161 OE1 GLN A 85 11.798 -9.213 -11.389 1.00 1.00 O ATOM 1162 NE2 GLN A 85 11.111 -7.292 -10.452 1.00 1.00 N ATOM 0 H GLN A 85 12.508 -7.360 -6.512 1.00 1.00 H new ATOM 0 HA GLN A 85 10.299 -8.584 -8.052 1.00 1.00 H new ATOM 0 HB2 GLN A 85 13.087 -9.675 -7.530 1.00 1.00 H new ATOM 0 HB3 GLN A 85 11.886 -10.331 -8.624 1.00 1.00 H new ATOM 0 HG2 GLN A 85 13.127 -7.579 -8.951 1.00 1.00 H new ATOM 0 HG3 GLN A 85 13.759 -9.024 -9.714 1.00 1.00 H new ATOM 0 HE21 GLN A 85 11.204 -6.629 -9.683 1.00 1.00 H new ATOM 0 HE22 GLN A 85 10.435 -7.119 -11.196 1.00 1.00 H new ATOM 1171 N GLU A 86 11.314 -9.207 -5.042 1.00 1.00 N ATOM 1172 CA GLU A 86 11.014 -9.946 -3.820 1.00 1.00 C ATOM 1173 C GLU A 86 11.163 -9.056 -2.591 1.00 1.00 C ATOM 1174 O GLU A 86 12.087 -8.248 -2.504 1.00 1.00 O ATOM 1175 CB GLU A 86 11.932 -11.163 -3.697 1.00 1.00 C ATOM 1176 CG GLU A 86 13.407 -10.805 -3.605 1.00 1.00 C ATOM 1177 CD GLU A 86 14.312 -11.989 -3.879 1.00 1.00 C ATOM 1178 OE1 GLU A 86 14.424 -12.391 -5.056 1.00 1.00 O ATOM 1179 OE2 GLU A 86 14.910 -12.515 -2.916 1.00 1.00 O ATOM 0 H GLU A 86 11.952 -8.421 -4.915 1.00 1.00 H new ATOM 0 HA GLU A 86 9.979 -10.283 -3.876 1.00 1.00 H new ATOM 0 HB2 GLU A 86 11.649 -11.733 -2.812 1.00 1.00 H new ATOM 0 HB3 GLU A 86 11.777 -11.813 -4.558 1.00 1.00 H new ATOM 0 HG2 GLU A 86 13.629 -10.010 -4.317 1.00 1.00 H new ATOM 0 HG3 GLU A 86 13.620 -10.412 -2.611 1.00 1.00 H new ATOM 1186 N PHE A 87 10.246 -9.213 -1.641 1.00 1.00 N ATOM 1187 CA PHE A 87 10.275 -8.427 -0.414 1.00 1.00 C ATOM 1188 C PHE A 87 9.428 -9.082 0.673 1.00 1.00 C ATOM 1189 O PHE A 87 8.377 -9.659 0.391 1.00 1.00 O ATOM 1190 CB PHE A 87 9.775 -7.004 -0.682 1.00 1.00 C ATOM 1191 CG PHE A 87 8.320 -6.935 -1.050 1.00 1.00 C ATOM 1192 CD1 PHE A 87 7.906 -7.202 -2.344 1.00 1.00 C ATOM 1193 CD2 PHE A 87 7.368 -6.603 -0.100 1.00 1.00 C ATOM 1194 CE1 PHE A 87 6.568 -7.139 -2.685 1.00 1.00 C ATOM 1195 CE2 PHE A 87 6.028 -6.538 -0.434 1.00 1.00 C ATOM 1196 CZ PHE A 87 5.628 -6.806 -1.729 1.00 1.00 C ATOM 0 H PHE A 87 9.474 -9.877 -1.698 1.00 1.00 H new ATOM 0 HA PHE A 87 11.307 -8.382 -0.066 1.00 1.00 H new ATOM 0 HB2 PHE A 87 9.945 -6.395 0.206 1.00 1.00 H new ATOM 0 HB3 PHE A 87 10.366 -6.566 -1.487 1.00 1.00 H new ATOM 0 HD1 PHE A 87 8.637 -7.462 -3.095 1.00 1.00 H new ATOM 0 HD2 PHE A 87 7.676 -6.392 0.913 1.00 1.00 H new ATOM 0 HE1 PHE A 87 6.258 -7.350 -3.698 1.00 1.00 H new ATOM 0 HE2 PHE A 87 5.295 -6.278 0.316 1.00 1.00 H new ATOM 0 HZ PHE A 87 4.582 -6.755 -1.993 1.00 1.00 H new ATOM 1206 N SER A 88 9.890 -8.987 1.914 1.00 1.00 N ATOM 1207 CA SER A 88 9.173 -9.569 3.043 1.00 1.00 C ATOM 1208 C SER A 88 8.217 -8.552 3.659 1.00 1.00 C ATOM 1209 O SER A 88 8.624 -7.452 4.032 1.00 1.00 O ATOM 1210 CB SER A 88 10.160 -10.066 4.100 1.00 1.00 C ATOM 1211 OG SER A 88 11.299 -10.655 3.497 1.00 1.00 O ATOM 0 H SER A 88 10.758 -8.513 2.164 1.00 1.00 H new ATOM 0 HA SER A 88 8.590 -10.414 2.677 1.00 1.00 H new ATOM 0 HB2 SER A 88 10.469 -9.234 4.733 1.00 1.00 H new ATOM 0 HB3 SER A 88 9.670 -10.794 4.746 1.00 1.00 H new ATOM 0 HG SER A 88 11.915 -10.963 4.194 1.00 1.00 H new ATOM 1217 N VAL A 89 6.946 -8.926 3.760 1.00 1.00 N ATOM 1218 CA VAL A 89 5.934 -8.040 4.329 1.00 1.00 C ATOM 1219 C VAL A 89 6.237 -7.702 5.787 1.00 1.00 C ATOM 1220 O VAL A 89 5.679 -6.753 6.338 1.00 1.00 O ATOM 1221 CB VAL A 89 4.517 -8.643 4.241 1.00 1.00 C ATOM 1222 CG1 VAL A 89 3.901 -8.345 2.886 1.00 1.00 C ATOM 1223 CG2 VAL A 89 4.535 -10.142 4.509 1.00 1.00 C ATOM 0 H VAL A 89 6.592 -9.833 3.457 1.00 1.00 H new ATOM 0 HA VAL A 89 5.966 -7.128 3.732 1.00 1.00 H new ATOM 0 HB VAL A 89 3.903 -8.178 5.013 1.00 1.00 H new ATOM 0 HG11 VAL A 89 2.901 -8.776 2.838 1.00 1.00 H new ATOM 0 HG12 VAL A 89 3.838 -7.266 2.744 1.00 1.00 H new ATOM 0 HG13 VAL A 89 4.521 -8.778 2.101 1.00 1.00 H new ATOM 0 HG21 VAL A 89 3.521 -10.536 4.439 1.00 1.00 H new ATOM 0 HG22 VAL A 89 5.168 -10.636 3.772 1.00 1.00 H new ATOM 0 HG23 VAL A 89 4.929 -10.328 5.508 1.00 1.00 H new ATOM 1233 N LYS A 90 7.121 -8.478 6.410 1.00 1.00 N ATOM 1234 CA LYS A 90 7.490 -8.250 7.805 1.00 1.00 C ATOM 1235 C LYS A 90 7.885 -6.793 8.038 1.00 1.00 C ATOM 1236 O LYS A 90 7.753 -6.274 9.147 1.00 1.00 O ATOM 1237 CB LYS A 90 8.642 -9.173 8.206 1.00 1.00 C ATOM 1238 CG LYS A 90 8.190 -10.564 8.621 1.00 1.00 C ATOM 1239 CD LYS A 90 8.957 -11.647 7.878 1.00 1.00 C ATOM 1240 CE LYS A 90 10.254 -11.998 8.589 1.00 1.00 C ATOM 1241 NZ LYS A 90 10.549 -13.456 8.519 1.00 1.00 N ATOM 0 H LYS A 90 7.594 -9.268 5.972 1.00 1.00 H new ATOM 0 HA LYS A 90 6.621 -8.473 8.424 1.00 1.00 H new ATOM 0 HB2 LYS A 90 9.335 -9.260 7.369 1.00 1.00 H new ATOM 0 HB3 LYS A 90 9.192 -8.718 9.030 1.00 1.00 H new ATOM 0 HG2 LYS A 90 8.332 -10.688 9.695 1.00 1.00 H new ATOM 0 HG3 LYS A 90 7.123 -10.674 8.426 1.00 1.00 H new ATOM 0 HD2 LYS A 90 8.336 -12.539 7.790 1.00 1.00 H new ATOM 0 HD3 LYS A 90 9.176 -11.310 6.865 1.00 1.00 H new ATOM 0 HE2 LYS A 90 11.076 -11.439 8.141 1.00 1.00 H new ATOM 0 HE3 LYS A 90 10.191 -11.690 9.633 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 11.248 -13.704 9.248 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 9.674 -13.995 8.680 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 10.931 -13.688 7.580 1.00 1.00 H new ATOM 1255 N GLU A 91 8.369 -6.138 6.987 1.00 1.00 N ATOM 1256 CA GLU A 91 8.780 -4.742 7.079 1.00 1.00 C ATOM 1257 C GLU A 91 7.669 -3.816 6.592 1.00 1.00 C ATOM 1258 O GLU A 91 7.679 -3.367 5.446 1.00 1.00 O ATOM 1259 CB GLU A 91 10.051 -4.507 6.260 1.00 1.00 C ATOM 1260 CG GLU A 91 11.276 -5.207 6.824 1.00 1.00 C ATOM 1261 CD GLU A 91 12.571 -4.676 6.242 1.00 1.00 C ATOM 1262 OE1 GLU A 91 12.822 -3.459 6.366 1.00 1.00 O ATOM 1263 OE2 GLU A 91 13.334 -5.476 5.661 1.00 1.00 O ATOM 0 H GLU A 91 8.486 -6.552 6.062 1.00 1.00 H new ATOM 0 HA GLU A 91 8.985 -4.517 8.126 1.00 1.00 H new ATOM 0 HB2 GLU A 91 9.884 -4.851 5.239 1.00 1.00 H new ATOM 0 HB3 GLU A 91 10.247 -3.436 6.208 1.00 1.00 H new ATOM 0 HG2 GLU A 91 11.292 -5.086 7.907 1.00 1.00 H new ATOM 0 HG3 GLU A 91 11.203 -6.276 6.624 1.00 1.00 H new ATOM 1270 N HIS A 92 6.712 -3.536 7.471 1.00 1.00 N ATOM 1271 CA HIS A 92 5.593 -2.664 7.131 1.00 1.00 C ATOM 1272 C HIS A 92 6.083 -1.270 6.751 1.00 1.00 C ATOM 1273 O HIS A 92 5.539 -0.636 5.846 1.00 1.00 O ATOM 1274 CB HIS A 92 4.618 -2.571 8.306 1.00 1.00 C ATOM 1275 CG HIS A 92 4.033 -3.890 8.705 1.00 1.00 C ATOM 1276 ND1 HIS A 92 3.793 -4.241 10.017 1.00 1.00 N ATOM 1277 CD2 HIS A 92 3.639 -4.947 7.957 1.00 1.00 C ATOM 1278 CE1 HIS A 92 3.277 -5.457 10.058 1.00 1.00 C ATOM 1279 NE2 HIS A 92 3.173 -5.907 8.822 1.00 1.00 N ATOM 0 H HIS A 92 6.689 -3.900 8.424 1.00 1.00 H new ATOM 0 HA HIS A 92 5.078 -3.094 6.272 1.00 1.00 H new ATOM 0 HB2 HIS A 92 5.135 -2.138 9.163 1.00 1.00 H new ATOM 0 HB3 HIS A 92 3.809 -1.889 8.043 1.00 1.00 H new ATOM 0 HD2 HIS A 92 3.683 -5.022 6.880 1.00 1.00 H new ATOM 0 HE1 HIS A 92 2.989 -5.992 10.951 1.00 1.00 H new ATOM 0 HE2 HIS A 92 2.806 -6.820 8.553 1.00 1.00 H new ATOM 1288 N ARG A 93 7.111 -0.799 7.448 1.00 1.00 N ATOM 1289 CA ARG A 93 7.674 0.521 7.184 1.00 1.00 C ATOM 1290 C ARG A 93 8.138 0.638 5.735 1.00 1.00 C ATOM 1291 O ARG A 93 8.134 1.725 5.158 1.00 1.00 O ATOM 1292 CB ARG A 93 8.843 0.797 8.132 1.00 1.00 C ATOM 1293 CG ARG A 93 9.470 2.169 7.941 1.00 1.00 C ATOM 1294 CD ARG A 93 9.688 2.880 9.269 1.00 1.00 C ATOM 1295 NE ARG A 93 11.095 2.884 9.665 1.00 1.00 N ATOM 1296 CZ ARG A 93 11.693 1.875 10.296 1.00 1.00 C ATOM 1297 NH1 ARG A 93 11.014 0.778 10.607 1.00 1.00 N ATOM 1298 NH2 ARG A 93 12.976 1.965 10.619 1.00 1.00 N ATOM 0 H ARG A 93 7.572 -1.311 8.200 1.00 1.00 H new ATOM 0 HA ARG A 93 6.893 1.262 7.355 1.00 1.00 H new ATOM 0 HB2 ARG A 93 8.495 0.706 9.161 1.00 1.00 H new ATOM 0 HB3 ARG A 93 9.607 0.034 7.985 1.00 1.00 H new ATOM 0 HG2 ARG A 93 10.424 2.064 7.424 1.00 1.00 H new ATOM 0 HG3 ARG A 93 8.827 2.777 7.304 1.00 1.00 H new ATOM 0 HD2 ARG A 93 9.330 3.907 9.193 1.00 1.00 H new ATOM 0 HD3 ARG A 93 9.095 2.392 10.043 1.00 1.00 H new ATOM 0 HE ARG A 93 11.652 3.709 9.445 1.00 1.00 H new ATOM 0 HH11 ARG A 93 10.027 0.703 10.363 1.00 1.00 H new ATOM 0 HH12 ARG A 93 11.480 0.010 11.090 1.00 1.00 H new ATOM 0 HH21 ARG A 93 13.503 2.806 10.384 1.00 1.00 H new ATOM 0 HH22 ARG A 93 13.436 1.193 11.102 1.00 1.00 H new ATOM 1312 N ARG A 94 8.535 -0.489 5.152 1.00 1.00 N ATOM 1313 CA ARG A 94 9.000 -0.510 3.770 1.00 1.00 C ATOM 1314 C ARG A 94 7.837 -0.321 2.801 1.00 1.00 C ATOM 1315 O ARG A 94 7.812 0.633 2.024 1.00 1.00 O ATOM 1316 CB ARG A 94 9.719 -1.827 3.472 1.00 1.00 C ATOM 1317 CG ARG A 94 11.213 -1.780 3.745 1.00 1.00 C ATOM 1318 CD ARG A 94 11.994 -1.372 2.506 1.00 1.00 C ATOM 1319 NE ARG A 94 13.437 -1.464 2.713 1.00 1.00 N ATOM 1320 CZ ARG A 94 14.340 -1.078 1.815 1.00 1.00 C ATOM 1321 NH1 ARG A 94 13.955 -0.574 0.649 1.00 1.00 N ATOM 1322 NH2 ARG A 94 15.634 -1.196 2.083 1.00 1.00 N ATOM 0 H ARG A 94 8.544 -1.398 5.615 1.00 1.00 H new ATOM 0 HA ARG A 94 9.699 0.316 3.635 1.00 1.00 H new ATOM 0 HB2 ARG A 94 9.273 -2.619 4.074 1.00 1.00 H new ATOM 0 HB3 ARG A 94 9.557 -2.091 2.427 1.00 1.00 H new ATOM 0 HG2 ARG A 94 11.414 -1.075 4.552 1.00 1.00 H new ATOM 0 HG3 ARG A 94 11.553 -2.758 4.085 1.00 1.00 H new ATOM 0 HD2 ARG A 94 11.706 -2.010 1.670 1.00 1.00 H new ATOM 0 HD3 ARG A 94 11.732 -0.350 2.232 1.00 1.00 H new ATOM 0 HE ARG A 94 13.772 -1.846 3.597 1.00 1.00 H new ATOM 0 HH11 ARG A 94 12.962 -0.481 0.437 1.00 1.00 H new ATOM 0 HH12 ARG A 94 14.652 -0.280 -0.035 1.00 1.00 H new ATOM 0 HH21 ARG A 94 15.936 -1.583 2.977 1.00 1.00 H new ATOM 0 HH22 ARG A 94 16.326 -0.900 1.395 1.00 1.00 H new ATOM 1336 N ILE A 95 6.873 -1.237 2.854 1.00 1.00 N ATOM 1337 CA ILE A 95 5.705 -1.174 1.981 1.00 1.00 C ATOM 1338 C ILE A 95 5.024 0.191 2.068 1.00 1.00 C ATOM 1339 O ILE A 95 4.794 0.846 1.052 1.00 1.00 O ATOM 1340 CB ILE A 95 4.685 -2.278 2.331 1.00 1.00 C ATOM 1341 CG1 ILE A 95 5.336 -3.658 2.210 1.00 1.00 C ATOM 1342 CG2 ILE A 95 3.460 -2.183 1.431 1.00 1.00 C ATOM 1343 CD1 ILE A 95 5.231 -4.487 3.470 1.00 1.00 C ATOM 0 H ILE A 95 6.878 -2.032 3.493 1.00 1.00 H new ATOM 0 HA ILE A 95 6.059 -1.330 0.962 1.00 1.00 H new ATOM 0 HB ILE A 95 4.361 -2.136 3.362 1.00 1.00 H new ATOM 0 HG12 ILE A 95 4.869 -4.200 1.388 1.00 1.00 H new ATOM 0 HG13 ILE A 95 6.388 -3.533 1.953 1.00 1.00 H new ATOM 0 HG21 ILE A 95 2.753 -2.970 1.694 1.00 1.00 H new ATOM 0 HG22 ILE A 95 2.986 -1.210 1.563 1.00 1.00 H new ATOM 0 HG23 ILE A 95 3.763 -2.300 0.391 1.00 1.00 H new ATOM 0 HD11 ILE A 95 5.713 -5.452 3.312 1.00 1.00 H new ATOM 0 HD12 ILE A 95 5.723 -3.965 4.291 1.00 1.00 H new ATOM 0 HD13 ILE A 95 4.181 -4.643 3.717 1.00 1.00 H new ATOM 1355 N TYR A 96 4.706 0.613 3.289 1.00 1.00 N ATOM 1356 CA TYR A 96 4.054 1.902 3.510 1.00 1.00 C ATOM 1357 C TYR A 96 4.791 3.020 2.778 1.00 1.00 C ATOM 1358 O TYR A 96 4.170 3.912 2.199 1.00 1.00 O ATOM 1359 CB TYR A 96 3.992 2.212 5.006 1.00 1.00 C ATOM 1360 CG TYR A 96 2.839 3.109 5.394 1.00 1.00 C ATOM 1361 CD1 TYR A 96 1.604 2.575 5.740 1.00 1.00 C ATOM 1362 CD2 TYR A 96 2.986 4.490 5.417 1.00 1.00 C ATOM 1363 CE1 TYR A 96 0.548 3.392 6.096 1.00 1.00 C ATOM 1364 CE2 TYR A 96 1.935 5.314 5.773 1.00 1.00 C ATOM 1365 CZ TYR A 96 0.719 4.760 6.112 1.00 1.00 C ATOM 1366 OH TYR A 96 -0.329 5.577 6.467 1.00 1.00 O ATOM 0 H TYR A 96 4.889 0.082 4.140 1.00 1.00 H new ATOM 0 HA TYR A 96 3.040 1.841 3.114 1.00 1.00 H new ATOM 0 HB2 TYR A 96 3.914 1.276 5.559 1.00 1.00 H new ATOM 0 HB3 TYR A 96 4.926 2.685 5.309 1.00 1.00 H new ATOM 0 HD1 TYR A 96 1.467 1.504 5.731 1.00 1.00 H new ATOM 0 HD2 TYR A 96 3.937 4.927 5.152 1.00 1.00 H new ATOM 0 HE1 TYR A 96 -0.406 2.961 6.360 1.00 1.00 H new ATOM 0 HE2 TYR A 96 2.066 6.386 5.786 1.00 1.00 H new ATOM 0 HH TYR A 96 -0.042 6.513 6.428 1.00 1.00 H new ATOM 1376 N ALA A 97 6.119 2.963 2.805 1.00 1.00 N ATOM 1377 CA ALA A 97 6.940 3.968 2.142 1.00 1.00 C ATOM 1378 C ALA A 97 6.956 3.751 0.632 1.00 1.00 C ATOM 1379 O ALA A 97 6.911 4.706 -0.143 1.00 1.00 O ATOM 1380 CB ALA A 97 8.357 3.941 2.696 1.00 1.00 C ATOM 0 H ALA A 97 6.649 2.231 3.279 1.00 1.00 H new ATOM 0 HA ALA A 97 6.504 4.947 2.339 1.00 1.00 H new ATOM 0 HB1 ALA A 97 8.959 4.697 2.192 1.00 1.00 H new ATOM 0 HB2 ALA A 97 8.334 4.150 3.766 1.00 1.00 H new ATOM 0 HB3 ALA A 97 8.795 2.957 2.528 1.00 1.00 H new ATOM 1386 N MET A 98 7.020 2.487 0.222 1.00 1.00 N ATOM 1387 CA MET A 98 7.041 2.142 -1.196 1.00 1.00 C ATOM 1388 C MET A 98 5.816 2.704 -1.911 1.00 1.00 C ATOM 1389 O MET A 98 5.937 3.527 -2.819 1.00 1.00 O ATOM 1390 CB MET A 98 7.094 0.622 -1.375 1.00 1.00 C ATOM 1391 CG MET A 98 8.405 0.002 -0.920 1.00 1.00 C ATOM 1392 SD MET A 98 8.926 -1.369 -1.970 1.00 1.00 S ATOM 1393 CE MET A 98 7.550 -2.497 -1.762 1.00 1.00 C ATOM 0 H MET A 98 7.058 1.685 0.851 1.00 1.00 H new ATOM 0 HA MET A 98 7.934 2.585 -1.637 1.00 1.00 H new ATOM 0 HB2 MET A 98 6.275 0.170 -0.816 1.00 1.00 H new ATOM 0 HB3 MET A 98 6.934 0.382 -2.426 1.00 1.00 H new ATOM 0 HG2 MET A 98 9.182 0.767 -0.915 1.00 1.00 H new ATOM 0 HG3 MET A 98 8.299 -0.351 0.106 1.00 1.00 H new ATOM 0 HE1 MET A 98 7.673 -3.348 -2.432 1.00 1.00 H new ATOM 0 HE2 MET A 98 7.520 -2.849 -0.731 1.00 1.00 H new ATOM 0 HE3 MET A 98 6.619 -1.982 -1.996 1.00 1.00 H new ATOM 1403 N ILE A 99 4.637 2.255 -1.493 1.00 1.00 N ATOM 1404 CA ILE A 99 3.387 2.712 -2.091 1.00 1.00 C ATOM 1405 C ILE A 99 3.247 4.227 -1.986 1.00 1.00 C ATOM 1406 O ILE A 99 2.637 4.865 -2.845 1.00 1.00 O ATOM 1407 CB ILE A 99 2.169 2.049 -1.419 1.00 1.00 C ATOM 1408 CG1 ILE A 99 2.258 2.187 0.103 1.00 1.00 C ATOM 1409 CG2 ILE A 99 2.072 0.585 -1.821 1.00 1.00 C ATOM 1410 CD1 ILE A 99 1.282 3.190 0.676 1.00 1.00 C ATOM 0 H ILE A 99 4.521 1.575 -0.742 1.00 1.00 H new ATOM 0 HA ILE A 99 3.416 2.425 -3.142 1.00 1.00 H new ATOM 0 HB ILE A 99 1.266 2.557 -1.757 1.00 1.00 H new ATOM 0 HG12 ILE A 99 2.077 1.214 0.559 1.00 1.00 H new ATOM 0 HG13 ILE A 99 3.272 2.482 0.374 1.00 1.00 H new ATOM 0 HG21 ILE A 99 1.207 0.132 -1.338 1.00 1.00 H new ATOM 0 HG22 ILE A 99 1.964 0.511 -2.903 1.00 1.00 H new ATOM 0 HG23 ILE A 99 2.976 0.062 -1.511 1.00 1.00 H new ATOM 0 HD11 ILE A 99 1.401 3.236 1.759 1.00 1.00 H new ATOM 0 HD12 ILE A 99 1.477 4.173 0.248 1.00 1.00 H new ATOM 0 HD13 ILE A 99 0.264 2.885 0.435 1.00 1.00 H new ATOM 1422 N SER A 100 3.815 4.798 -0.928 1.00 1.00 N ATOM 1423 CA SER A 100 3.753 6.240 -0.709 1.00 1.00 C ATOM 1424 C SER A 100 4.318 7.003 -1.902 1.00 1.00 C ATOM 1425 O SER A 100 3.721 7.972 -2.372 1.00 1.00 O ATOM 1426 CB SER A 100 4.521 6.615 0.560 1.00 1.00 C ATOM 1427 OG SER A 100 4.334 7.983 0.883 1.00 1.00 O ATOM 0 H SER A 100 4.324 4.284 -0.208 1.00 1.00 H new ATOM 0 HA SER A 100 2.705 6.517 -0.591 1.00 1.00 H new ATOM 0 HB2 SER A 100 4.185 5.993 1.390 1.00 1.00 H new ATOM 0 HB3 SER A 100 5.583 6.413 0.420 1.00 1.00 H new ATOM 0 HG SER A 100 4.833 8.198 1.698 1.00 1.00 H new ATOM 1433 N ARG A 101 5.473 6.562 -2.388 1.00 1.00 N ATOM 1434 CA ARG A 101 6.120 7.205 -3.527 1.00 1.00 C ATOM 1435 C ARG A 101 5.386 6.895 -4.831 1.00 1.00 C ATOM 1436 O ARG A 101 5.611 7.551 -5.848 1.00 1.00 O ATOM 1437 CB ARG A 101 7.578 6.752 -3.633 1.00 1.00 C ATOM 1438 CG ARG A 101 8.341 6.836 -2.321 1.00 1.00 C ATOM 1439 CD ARG A 101 9.659 6.082 -2.393 1.00 1.00 C ATOM 1440 NE ARG A 101 10.764 6.854 -1.829 1.00 1.00 N ATOM 1441 CZ ARG A 101 11.007 6.956 -0.524 1.00 1.00 C ATOM 1442 NH1 ARG A 101 10.224 6.342 0.355 1.00 1.00 N ATOM 1443 NH2 ARG A 101 12.035 7.676 -0.096 1.00 1.00 N ATOM 0 H ARG A 101 5.981 5.762 -2.011 1.00 1.00 H new ATOM 0 HA ARG A 101 6.087 8.282 -3.364 1.00 1.00 H new ATOM 0 HB2 ARG A 101 7.604 5.724 -3.993 1.00 1.00 H new ATOM 0 HB3 ARG A 101 8.086 7.364 -4.378 1.00 1.00 H new ATOM 0 HG2 ARG A 101 8.531 7.881 -2.076 1.00 1.00 H new ATOM 0 HG3 ARG A 101 7.730 6.426 -1.517 1.00 1.00 H new ATOM 0 HD2 ARG A 101 9.566 5.138 -1.857 1.00 1.00 H new ATOM 0 HD3 ARG A 101 9.881 5.838 -3.432 1.00 1.00 H new ATOM 0 HE ARG A 101 11.386 7.343 -2.473 1.00 1.00 H new ATOM 0 HH11 ARG A 101 9.431 5.788 0.032 1.00 1.00 H new ATOM 0 HH12 ARG A 101 10.416 6.424 1.353 1.00 1.00 H new ATOM 0 HH21 ARG A 101 12.639 8.151 -0.766 1.00 1.00 H new ATOM 0 HH22 ARG A 101 12.222 7.755 0.904 1.00 1.00 H new ATOM 1457 N ASN A 102 4.515 5.889 -4.800 1.00 1.00 N ATOM 1458 CA ASN A 102 3.762 5.497 -5.985 1.00 1.00 C ATOM 1459 C ASN A 102 2.350 6.075 -5.960 1.00 1.00 C ATOM 1460 O ASN A 102 1.409 5.462 -6.464 1.00 1.00 O ATOM 1461 CB ASN A 102 3.702 3.973 -6.088 1.00 1.00 C ATOM 1462 CG ASN A 102 5.080 3.353 -6.221 1.00 1.00 C ATOM 1463 OD1 ASN A 102 5.169 2.046 -6.005 1.00 1.00 O flip ATOM 1464 ND2 ASN A 102 6.056 4.043 -6.515 1.00 1.00 N flip ATOM 0 H ASN A 102 4.315 5.333 -3.969 1.00 1.00 H new ATOM 0 HA ASN A 102 4.276 5.898 -6.859 1.00 1.00 H new ATOM 0 HB2 ASN A 102 3.208 3.570 -5.204 1.00 1.00 H new ATOM 0 HB3 ASN A 102 3.095 3.692 -6.948 1.00 1.00 H new ATOM 0 HD21 ASN A 102 5.944 5.044 -6.673 1.00 1.00 H new ATOM 0 HD22 ASN A 102 6.977 3.613 -6.601 1.00 1.00 H new ATOM 1471 N LEU A 103 2.210 7.262 -5.377 1.00 1.00 N ATOM 1472 CA LEU A 103 0.914 7.926 -5.294 1.00 1.00 C ATOM 1473 C LEU A 103 0.998 9.342 -5.854 1.00 1.00 C ATOM 1474 O LEU A 103 1.597 10.227 -5.243 1.00 1.00 O ATOM 1475 CB LEU A 103 0.427 7.962 -3.844 1.00 1.00 C ATOM 1476 CG LEU A 103 0.178 6.591 -3.210 1.00 1.00 C ATOM 1477 CD1 LEU A 103 0.515 6.617 -1.726 1.00 1.00 C ATOM 1478 CD2 LEU A 103 -1.265 6.157 -3.426 1.00 1.00 C ATOM 0 H LEU A 103 2.978 7.783 -4.955 1.00 1.00 H new ATOM 0 HA LEU A 103 0.200 7.359 -5.892 1.00 1.00 H new ATOM 0 HB2 LEU A 103 1.163 8.495 -3.243 1.00 1.00 H new ATOM 0 HB3 LEU A 103 -0.497 8.538 -3.801 1.00 1.00 H new ATOM 0 HG LEU A 103 0.830 5.865 -3.695 1.00 1.00 H new ATOM 0 HD11 LEU A 103 0.331 5.633 -1.294 1.00 1.00 H new ATOM 0 HD12 LEU A 103 1.565 6.880 -1.596 1.00 1.00 H new ATOM 0 HD13 LEU A 103 -0.109 7.356 -1.224 1.00 1.00 H new ATOM 0 HD21 LEU A 103 -1.424 5.180 -2.969 1.00 1.00 H new ATOM 0 HD22 LEU A 103 -1.936 6.885 -2.970 1.00 1.00 H new ATOM 0 HD23 LEU A 103 -1.470 6.095 -4.495 1.00 1.00 H new ATOM 1490 N VAL A 104 0.401 9.549 -7.026 1.00 1.00 N ATOM 1491 CA VAL A 104 0.418 10.857 -7.672 1.00 1.00 C ATOM 1492 C VAL A 104 -0.117 11.948 -6.746 1.00 1.00 C ATOM 1493 O VAL A 104 0.569 12.935 -6.478 1.00 1.00 O ATOM 1494 CB VAL A 104 -0.395 10.854 -8.985 1.00 1.00 C ATOM 1495 CG1 VAL A 104 0.335 10.061 -10.059 1.00 1.00 C ATOM 1496 CG2 VAL A 104 -1.793 10.293 -8.764 1.00 1.00 C ATOM 0 H VAL A 104 -0.099 8.828 -7.546 1.00 1.00 H new ATOM 0 HA VAL A 104 1.461 11.073 -7.905 1.00 1.00 H new ATOM 0 HB VAL A 104 -0.497 11.886 -9.321 1.00 1.00 H new ATOM 0 HG11 VAL A 104 -0.251 10.068 -10.978 1.00 1.00 H new ATOM 0 HG12 VAL A 104 1.309 10.513 -10.246 1.00 1.00 H new ATOM 0 HG13 VAL A 104 0.470 9.033 -9.723 1.00 1.00 H new ATOM 0 HG21 VAL A 104 -2.342 10.303 -9.705 1.00 1.00 H new ATOM 0 HG22 VAL A 104 -1.720 9.269 -8.397 1.00 1.00 H new ATOM 0 HG23 VAL A 104 -2.319 10.905 -8.031 1.00 1.00 H new ATOM 1506 N SER A 105 -1.339 11.765 -6.255 1.00 1.00 N ATOM 1507 CA SER A 105 -1.954 12.735 -5.356 1.00 1.00 C ATOM 1508 C SER A 105 -2.019 12.190 -3.933 1.00 1.00 C ATOM 1509 O SER A 105 -2.785 11.270 -3.646 1.00 1.00 O ATOM 1510 CB SER A 105 -3.358 13.100 -5.844 1.00 1.00 C ATOM 1511 OG SER A 105 -4.123 13.691 -4.807 1.00 1.00 O ATOM 0 H SER A 105 -1.922 10.955 -6.464 1.00 1.00 H new ATOM 0 HA SER A 105 -1.337 13.634 -5.353 1.00 1.00 H new ATOM 0 HB2 SER A 105 -3.286 13.790 -6.685 1.00 1.00 H new ATOM 0 HB3 SER A 105 -3.863 12.206 -6.208 1.00 1.00 H new ATOM 0 HG SER A 105 -5.015 13.916 -5.146 1.00 1.00 H new ATOM 1517 N ALA A 106 -1.211 12.761 -3.046 1.00 1.00 N ATOM 1518 CA ALA A 106 -1.180 12.329 -1.653 1.00 1.00 C ATOM 1519 C ALA A 106 -1.712 13.416 -0.727 1.00 1.00 C ATOM 1520 O ALA A 106 -1.102 14.476 -0.584 1.00 1.00 O ATOM 1521 CB ALA A 106 0.235 11.939 -1.255 1.00 1.00 C ATOM 0 H ALA A 106 -0.570 13.523 -3.266 1.00 1.00 H new ATOM 0 HA ALA A 106 -1.828 11.458 -1.554 1.00 1.00 H new ATOM 0 HB1 ALA A 106 0.245 11.619 -0.213 1.00 1.00 H new ATOM 0 HB2 ALA A 106 0.579 11.122 -1.889 1.00 1.00 H new ATOM 0 HB3 ALA A 106 0.897 12.797 -1.377 1.00 1.00 H new ATOM 1527 N ASN A 107 -2.852 13.147 -0.098 1.00 1.00 N ATOM 1528 CA ASN A 107 -3.464 14.104 0.817 1.00 1.00 C ATOM 1529 C ASN A 107 -2.757 14.093 2.168 1.00 1.00 C ATOM 1530 O ASN A 107 -2.641 13.049 2.811 1.00 1.00 O ATOM 1531 CB ASN A 107 -4.949 13.787 1.002 1.00 1.00 C ATOM 1532 CG ASN A 107 -5.796 14.289 -0.150 1.00 1.00 C ATOM 1533 OD1 ASN A 107 -6.335 15.395 -0.105 1.00 1.00 O ATOM 1534 ND2 ASN A 107 -5.919 13.475 -1.192 1.00 1.00 N ATOM 0 H ASN A 107 -3.370 12.275 -0.205 1.00 1.00 H new ATOM 0 HA ASN A 107 -3.364 15.099 0.383 1.00 1.00 H new ATOM 0 HB2 ASN A 107 -5.078 12.709 1.101 1.00 1.00 H new ATOM 0 HB3 ASN A 107 -5.301 14.237 1.931 1.00 1.00 H new ATOM 0 HD21 ASN A 107 -6.478 13.758 -1.997 1.00 1.00 H new ATOM 0 HD22 ASN A 107 -5.455 12.567 -1.187 1.00 1.00 H new ATOM 1541 N VAL A 108 -2.286 15.260 2.594 1.00 1.00 N ATOM 1542 CA VAL A 108 -1.590 15.385 3.869 1.00 1.00 C ATOM 1543 C VAL A 108 -2.348 16.305 4.823 1.00 1.00 C ATOM 1544 O VAL A 108 -3.171 17.116 4.398 1.00 1.00 O ATOM 1545 CB VAL A 108 -0.148 15.907 3.680 1.00 1.00 C ATOM 1546 CG1 VAL A 108 -0.123 17.424 3.559 1.00 1.00 C ATOM 1547 CG2 VAL A 108 0.739 15.444 4.826 1.00 1.00 C ATOM 0 H VAL A 108 -2.374 16.133 2.074 1.00 1.00 H new ATOM 0 HA VAL A 108 -1.543 14.387 4.304 1.00 1.00 H new ATOM 0 HB VAL A 108 0.242 15.493 2.750 1.00 1.00 H new ATOM 0 HG11 VAL A 108 0.905 17.762 3.427 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -0.719 17.730 2.699 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -0.537 17.868 4.464 1.00 1.00 H new ATOM 0 HG21 VAL A 108 1.751 15.820 4.678 1.00 1.00 H new ATOM 0 HG22 VAL A 108 0.345 15.825 5.768 1.00 1.00 H new ATOM 0 HG23 VAL A 108 0.757 14.355 4.855 1.00 1.00 H new ATOM 1557 N LYS A 109 -2.063 16.174 6.114 1.00 1.00 N ATOM 1558 CA LYS A 109 -2.715 16.992 7.130 1.00 1.00 C ATOM 1559 C LYS A 109 -1.715 17.938 7.789 1.00 1.00 C ATOM 1560 O LYS A 109 -0.529 17.628 7.896 1.00 1.00 O ATOM 1561 CB LYS A 109 -3.372 16.101 8.188 1.00 1.00 C ATOM 1562 CG LYS A 109 -4.863 16.347 8.348 1.00 1.00 C ATOM 1563 CD LYS A 109 -5.138 17.512 9.285 1.00 1.00 C ATOM 1564 CE LYS A 109 -6.323 18.340 8.813 1.00 1.00 C ATOM 1565 NZ LYS A 109 -7.557 18.035 9.588 1.00 1.00 N ATOM 0 H LYS A 109 -1.384 15.508 6.482 1.00 1.00 H new ATOM 0 HA LYS A 109 -3.485 17.590 6.643 1.00 1.00 H new ATOM 0 HB2 LYS A 109 -3.211 15.056 7.922 1.00 1.00 H new ATOM 0 HB3 LYS A 109 -2.880 16.266 9.147 1.00 1.00 H new ATOM 0 HG2 LYS A 109 -5.306 16.550 7.373 1.00 1.00 H new ATOM 0 HG3 LYS A 109 -5.342 15.447 8.734 1.00 1.00 H new ATOM 0 HD2 LYS A 109 -5.333 17.135 10.289 1.00 1.00 H new ATOM 0 HD3 LYS A 109 -4.253 18.145 9.349 1.00 1.00 H new ATOM 0 HE2 LYS A 109 -6.087 19.400 8.909 1.00 1.00 H new ATOM 0 HE3 LYS A 109 -6.502 18.148 7.755 1.00 1.00 H new ATOM 0 HZ1 LYS A 109 -8.342 18.620 9.236 1.00 1.00 H new ATOM 0 HZ2 LYS A 109 -7.797 17.029 9.476 1.00 1.00 H new ATOM 0 HZ3 LYS A 109 -7.395 18.242 10.594 1.00 1.00 H new ATOM 1579 N GLU A 110 -2.203 19.093 8.230 1.00 1.00 N ATOM 1580 CA GLU A 110 -1.353 20.085 8.878 1.00 1.00 C ATOM 1581 C GLU A 110 -1.018 19.665 10.306 1.00 1.00 C ATOM 1582 O GLU A 110 0.082 19.918 10.796 1.00 1.00 O ATOM 1583 CB GLU A 110 -2.040 21.451 8.884 1.00 1.00 C ATOM 1584 CG GLU A 110 -2.281 22.017 7.494 1.00 1.00 C ATOM 1585 CD GLU A 110 -1.987 23.502 7.409 1.00 1.00 C ATOM 1586 OE1 GLU A 110 -2.861 24.303 7.801 1.00 1.00 O ATOM 1587 OE2 GLU A 110 -0.883 23.863 6.951 1.00 1.00 O ATOM 0 H GLU A 110 -3.183 19.365 8.150 1.00 1.00 H new ATOM 0 HA GLU A 110 -0.424 20.156 8.312 1.00 1.00 H new ATOM 0 HB2 GLU A 110 -2.995 21.366 9.403 1.00 1.00 H new ATOM 0 HB3 GLU A 110 -1.430 22.153 9.452 1.00 1.00 H new ATOM 0 HG2 GLU A 110 -1.656 21.485 6.776 1.00 1.00 H new ATOM 0 HG3 GLU A 110 -3.318 21.839 7.208 1.00 1.00 H new ATOM 1594 N SER A 111 -1.975 19.023 10.968 1.00 1.00 N ATOM 1595 CA SER A 111 -1.782 18.569 12.341 1.00 1.00 C ATOM 1596 C SER A 111 -0.974 17.276 12.377 1.00 1.00 C ATOM 1597 O SER A 111 -1.361 16.273 11.777 1.00 1.00 O ATOM 1598 CB SER A 111 -3.134 18.358 13.025 1.00 1.00 C ATOM 1599 OG SER A 111 -3.736 19.597 13.357 1.00 1.00 O ATOM 0 H SER A 111 -2.891 18.805 10.577 1.00 1.00 H new ATOM 0 HA SER A 111 -1.227 19.339 12.878 1.00 1.00 H new ATOM 0 HB2 SER A 111 -3.794 17.794 12.366 1.00 1.00 H new ATOM 0 HB3 SER A 111 -2.999 17.762 13.928 1.00 1.00 H new ATOM 0 HG SER A 111 -4.599 19.435 13.791 1.00 1.00 H new ATOM 1605 N SER A 112 0.151 17.306 13.085 1.00 1.00 N ATOM 1606 CA SER A 112 1.014 16.137 13.200 1.00 1.00 C ATOM 1607 C SER A 112 1.455 15.927 14.645 1.00 1.00 C ATOM 1608 O SER A 112 1.728 16.886 15.367 1.00 1.00 O ATOM 1609 CB SER A 112 2.239 16.290 12.298 1.00 1.00 C ATOM 1610 OG SER A 112 1.936 17.070 11.154 1.00 1.00 O ATOM 0 H SER A 112 0.486 18.128 13.588 1.00 1.00 H new ATOM 0 HA SER A 112 0.445 15.264 12.882 1.00 1.00 H new ATOM 0 HB2 SER A 112 3.050 16.758 12.857 1.00 1.00 H new ATOM 0 HB3 SER A 112 2.592 15.306 11.988 1.00 1.00 H new ATOM 0 HG SER A 112 2.736 17.154 10.594 1.00 1.00 H new ATOM 1616 N GLU A 113 1.523 14.666 15.060 1.00 1.00 N ATOM 1617 CA GLU A 113 1.932 14.330 16.419 1.00 1.00 C ATOM 1618 C GLU A 113 3.368 14.771 16.680 1.00 1.00 C ATOM 1619 O GLU A 113 4.134 15.011 15.747 1.00 1.00 O ATOM 1620 CB GLU A 113 1.797 12.825 16.657 1.00 1.00 C ATOM 1621 CG GLU A 113 0.382 12.303 16.466 1.00 1.00 C ATOM 1622 CD GLU A 113 0.094 11.076 17.308 1.00 1.00 C ATOM 1623 OE1 GLU A 113 0.731 10.923 18.371 1.00 1.00 O ATOM 1624 OE2 GLU A 113 -0.769 10.268 16.905 1.00 1.00 O ATOM 0 H GLU A 113 1.300 13.861 14.475 1.00 1.00 H new ATOM 0 HA GLU A 113 1.277 14.860 17.110 1.00 1.00 H new ATOM 0 HB2 GLU A 113 2.465 12.297 15.977 1.00 1.00 H new ATOM 0 HB3 GLU A 113 2.127 12.595 17.670 1.00 1.00 H new ATOM 0 HG2 GLU A 113 -0.329 13.089 16.721 1.00 1.00 H new ATOM 0 HG3 GLU A 113 0.227 12.062 15.414 1.00 1.00 H new ATOM 1631 N ASP A 114 3.727 14.876 17.956 1.00 1.00 N ATOM 1632 CA ASP A 114 5.072 15.288 18.340 1.00 1.00 C ATOM 1633 C ASP A 114 5.914 14.084 18.750 1.00 1.00 C ATOM 1634 O ASP A 114 5.426 13.171 19.416 1.00 1.00 O ATOM 1635 CB ASP A 114 5.011 16.297 19.488 1.00 1.00 C ATOM 1636 CG ASP A 114 4.551 17.667 19.029 1.00 1.00 C ATOM 1637 OD1 ASP A 114 4.974 18.101 17.937 1.00 1.00 O ATOM 1638 OD2 ASP A 114 3.768 18.307 19.762 1.00 1.00 O ATOM 0 H ASP A 114 3.105 14.681 18.741 1.00 1.00 H new ATOM 0 HA ASP A 114 5.541 15.759 17.476 1.00 1.00 H new ATOM 0 HB2 ASP A 114 4.333 15.928 20.257 1.00 1.00 H new ATOM 0 HB3 ASP A 114 5.996 16.382 19.946 1.00 1.00 H new ATOM 1643 N ILE A 115 7.185 14.096 18.360 1.00 1.00 N ATOM 1644 CA ILE A 115 8.096 13.023 18.694 1.00 1.00 C ATOM 1645 C ILE A 115 9.138 13.509 19.688 1.00 1.00 C ATOM 1646 O ILE A 115 10.095 14.194 19.328 1.00 1.00 O ATOM 1647 CB ILE A 115 8.799 12.470 17.444 1.00 1.00 C ATOM 1648 CG1 ILE A 115 7.762 12.008 16.422 1.00 1.00 C ATOM 1649 CG2 ILE A 115 9.730 11.324 17.815 1.00 1.00 C ATOM 1650 CD1 ILE A 115 6.851 10.910 16.928 1.00 1.00 C ATOM 0 H ILE A 115 7.603 14.846 17.809 1.00 1.00 H new ATOM 0 HA ILE A 115 7.509 12.220 19.140 1.00 1.00 H new ATOM 0 HB ILE A 115 9.399 13.265 17.001 1.00 1.00 H new ATOM 0 HG12 ILE A 115 7.154 12.862 16.123 1.00 1.00 H new ATOM 0 HG13 ILE A 115 8.278 11.656 15.529 1.00 1.00 H new ATOM 0 HG21 ILE A 115 10.218 10.946 16.917 1.00 1.00 H new ATOM 0 HG22 ILE A 115 10.485 11.681 18.515 1.00 1.00 H new ATOM 0 HG23 ILE A 115 9.154 10.523 18.279 1.00 1.00 H new ATOM 0 HD11 ILE A 115 6.143 10.636 16.146 1.00 1.00 H new ATOM 0 HD12 ILE A 115 7.447 10.039 17.199 1.00 1.00 H new ATOM 0 HD13 ILE A 115 6.306 11.264 17.803 1.00 1.00 H new ATOM 1662 N PHE A 116 8.935 13.144 20.936 1.00 1.00 N ATOM 1663 CA PHE A 116 9.843 13.528 22.012 1.00 1.00 C ATOM 1664 C PHE A 116 10.694 12.343 22.457 1.00 1.00 C ATOM 1665 O PHE A 116 11.080 12.246 23.622 1.00 1.00 O ATOM 1666 CB PHE A 116 9.061 14.088 23.204 1.00 1.00 C ATOM 1667 CG PHE A 116 7.760 13.381 23.466 1.00 1.00 C ATOM 1668 CD1 PHE A 116 7.705 11.998 23.515 1.00 1.00 C ATOM 1669 CD2 PHE A 116 6.593 14.102 23.663 1.00 1.00 C ATOM 1670 CE1 PHE A 116 6.510 11.346 23.755 1.00 1.00 C ATOM 1671 CE2 PHE A 116 5.396 13.456 23.904 1.00 1.00 C ATOM 1672 CZ PHE A 116 5.354 12.076 23.950 1.00 1.00 C ATOM 0 H PHE A 116 8.143 12.577 21.239 1.00 1.00 H new ATOM 0 HA PHE A 116 10.505 14.305 21.629 1.00 1.00 H new ATOM 0 HB2 PHE A 116 9.684 14.025 24.096 1.00 1.00 H new ATOM 0 HB3 PHE A 116 8.860 15.145 23.030 1.00 1.00 H new ATOM 0 HD1 PHE A 116 8.606 11.422 23.364 1.00 1.00 H new ATOM 0 HD2 PHE A 116 6.620 15.181 23.628 1.00 1.00 H new ATOM 0 HE1 PHE A 116 6.480 10.267 23.790 1.00 1.00 H new ATOM 0 HE2 PHE A 116 4.494 14.029 24.056 1.00 1.00 H new ATOM 0 HZ PHE A 116 4.419 11.569 24.138 1.00 1.00 H new ATOM 1682 N GLY A 117 10.984 11.444 21.522 1.00 1.00 N ATOM 1683 CA GLY A 117 11.787 10.278 21.839 1.00 1.00 C ATOM 1684 C GLY A 117 10.945 9.041 22.081 1.00 1.00 C ATOM 1685 O GLY A 117 11.278 8.211 22.926 1.00 1.00 O ATOM 0 H GLY A 117 10.677 11.502 20.551 1.00 1.00 H new ATOM 0 HA2 GLY A 117 12.482 10.086 21.021 1.00 1.00 H new ATOM 0 HA3 GLY A 117 12.387 10.484 22.725 1.00 1.00 H new ATOM 1689 N ASN A 118 9.851 8.918 21.337 1.00 1.00 N ATOM 1690 CA ASN A 118 8.958 7.773 21.474 1.00 1.00 C ATOM 1691 C ASN A 118 9.037 6.870 20.247 1.00 1.00 C ATOM 1692 O ASN A 118 8.567 7.231 19.168 1.00 1.00 O ATOM 1693 CB ASN A 118 7.518 8.246 21.682 1.00 1.00 C ATOM 1694 CG ASN A 118 7.083 9.253 20.636 1.00 1.00 C ATOM 1695 OD1 ASN A 118 7.832 9.567 19.711 1.00 1.00 O ATOM 1696 ND2 ASN A 118 5.866 9.765 20.777 1.00 1.00 N ATOM 0 H ASN A 118 9.561 9.597 20.633 1.00 1.00 H new ATOM 0 HA ASN A 118 9.275 7.199 22.345 1.00 1.00 H new ATOM 0 HB2 ASN A 118 6.849 7.386 21.655 1.00 1.00 H new ATOM 0 HB3 ASN A 118 7.424 8.692 22.672 1.00 1.00 H new ATOM 0 HD21 ASN A 118 5.518 10.447 20.103 1.00 1.00 H new ATOM 0 HD22 ASN A 118 5.279 9.476 21.559 1.00 1.00 H new ATOM 1703 N VAL A 119 9.634 5.696 20.421 1.00 1.00 N ATOM 1704 CA VAL A 119 9.775 4.741 19.328 1.00 1.00 C ATOM 1705 C VAL A 119 10.653 5.305 18.216 1.00 1.00 C ATOM 1706 O VAL A 119 10.758 6.520 18.050 1.00 1.00 O ATOM 1707 CB VAL A 119 8.405 4.356 18.739 1.00 1.00 C ATOM 1708 CG1 VAL A 119 8.554 3.217 17.742 1.00 1.00 C ATOM 1709 CG2 VAL A 119 7.433 3.980 19.847 1.00 1.00 C ATOM 0 H VAL A 119 10.028 5.383 21.308 1.00 1.00 H new ATOM 0 HA VAL A 119 10.247 3.851 19.744 1.00 1.00 H new ATOM 0 HB VAL A 119 8.001 5.220 18.212 1.00 1.00 H new ATOM 0 HG11 VAL A 119 7.576 2.958 17.336 1.00 1.00 H new ATOM 0 HG12 VAL A 119 9.213 3.527 16.931 1.00 1.00 H new ATOM 0 HG13 VAL A 119 8.980 2.348 18.243 1.00 1.00 H new ATOM 0 HG21 VAL A 119 6.471 3.711 19.411 1.00 1.00 H new ATOM 0 HG22 VAL A 119 7.828 3.131 20.405 1.00 1.00 H new ATOM 0 HG23 VAL A 119 7.302 4.828 20.520 1.00 1.00 H new TER 1719 VAL A 119 HETATM 1720 C1 IMY A 120 -0.599 -9.614 4.715 1.00 1.00 C HETATM 1721 N2 IMY A 120 -1.512 -9.313 3.802 1.00 1.00 N HETATM 1722 C3 IMY A 120 -1.593 -7.823 3.678 1.00 1.00 C HETATM 1723 C4 IMY A 120 -1.090 -7.416 5.106 1.00 1.00 C HETATM 1724 N5 IMY A 120 -0.236 -8.558 5.444 1.00 1.00 N HETATM 1725 C13 IMY A 120 -0.754 -7.287 2.528 1.00 1.00 C HETATM 1726 C14 IMY A 120 -1.065 -6.029 1.982 1.00 1.00 C HETATM 1727 C15 IMY A 120 -0.254 -5.452 1.000 1.00 1.00 C HETATM 1728 C16 IMY A 120 0.888 -6.103 0.569 1.00 1.00 C HETATM 1729 C17 IMY A 120 1.187 -7.361 1.064 1.00 1.00 C HETATM 1730 C18 IMY A 120 0.378 -7.955 2.030 1.00 1.00 C HETATM 1731 CL16 IMY A 120 1.927 -5.362 -0.580 1.00 1.00 CL HETATM 1732 C20 IMY A 120 -1.149 -5.031 5.920 1.00 1.00 C HETATM 1733 C21 IMY A 120 -0.557 -3.791 6.166 1.00 1.00 C HETATM 1734 C22 IMY A 120 0.779 -3.587 5.844 1.00 1.00 C HETATM 1735 C23 IMY A 120 1.529 -4.614 5.283 1.00 1.00 C HETATM 1736 C24 IMY A 120 0.952 -5.870 5.092 1.00 1.00 C HETATM 1737 C19 IMY A 120 -0.404 -6.095 5.376 1.00 1.00 C HETATM 1738 CL22 IMY A 120 1.514 -2.065 6.148 1.00 1.00 CL HETATM 1739 C28 IMY A 120 0.818 -13.144 4.451 1.00 1.00 C HETATM 1740 C29 IMY A 120 0.058 -12.004 4.123 1.00 1.00 C HETATM 1741 C34 IMY A 120 0.043 -10.906 5.011 1.00 1.00 C HETATM 1742 C25 IMY A 120 0.782 -10.999 6.213 1.00 1.00 C HETATM 1743 C26 IMY A 120 1.530 -12.131 6.522 1.00 1.00 C HETATM 1744 C27 IMY A 120 1.553 -13.205 5.634 1.00 1.00 C HETATM 1745 O3 IMY A 120 -0.677 -11.884 2.949 1.00 1.00 O HETATM 1746 C31 IMY A 120 -0.354 -12.737 1.824 1.00 1.00 C HETATM 1747 C32 IMY A 120 -1.060 -12.262 0.553 1.00 1.00 C HETATM 1748 C33 IMY A 120 1.155 -12.658 1.620 1.00 1.00 C HETATM 1749 O2 IMY A 120 2.296 -14.365 5.798 1.00 1.00 O HETATM 1750 C30 IMY A 120 2.772 -14.629 7.123 1.00 1.00 C HETATM 0 H333 IMY A 120 1.441 -11.626 1.414 1.00 1.00 H new HETATM 0 H332 IMY A 120 1.662 -13.002 2.521 1.00 1.00 H new HETATM 0 H331 IMY A 120 1.442 -13.289 0.779 1.00 1.00 H new HETATM 0 H323 IMY A 120 -2.139 -12.282 0.707 1.00 1.00 H new HETATM 0 H322 IMY A 120 -0.745 -11.245 0.321 1.00 1.00 H new HETATM 0 H321 IMY A 120 -0.800 -12.921 -0.276 1.00 1.00 H new HETATM 0 H302 IMY A 120 3.416 -13.812 7.448 1.00 1.00 H new HETATM 0 H301 IMY A 120 1.925 -14.716 7.803 1.00 1.00 H new HETATM 0 H4 IMY A 120 -1.967 -7.213 5.721 1.00 1.00 H new HETATM 0 H31 IMY A 120 -0.681 -13.757 2.026 1.00 1.00 H new HETATM 0 H30 IMY A 120 3.338 -15.560 7.127 1.00 1.00 H new HETATM 0 H3 IMY A 120 -2.573 -7.418 3.427 1.00 1.00 H new HETATM 0 H28 IMY A 120 0.832 -13.993 3.768 1.00 1.00 H new HETATM 0 H26 IMY A 120 2.095 -12.177 7.453 1.00 1.00 H new HETATM 0 H25 IMY A 120 0.765 -10.164 6.914 1.00 1.00 H new HETATM 0 H24 IMY A 120 1.564 -6.690 4.716 1.00 1.00 H new HETATM 0 H23 IMY A 120 2.565 -4.439 4.993 1.00 1.00 H new HETATM 0 H21 IMY A 120 -1.141 -2.985 6.610 1.00 1.00 H new HETATM 0 H20 IMY A 120 -2.204 -5.178 6.152 1.00 1.00 H new HETATM 0 H18 IMY A 120 0.625 -8.949 2.404 1.00 1.00 H new HETATM 0 H17 IMY A 120 2.064 -7.892 0.694 1.00 1.00 H new HETATM 0 H15 IMY A 120 -0.523 -4.486 0.573 1.00 1.00 H new HETATM 0 H14 IMY A 120 -1.950 -5.496 2.329 1.00 1.00 H new