USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 886 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 THR OG1 : rot 180:sc= 0.00448 USER MOD Set 1.2: A 35 GLN : amide:sc= 0.903 K(o=0.91,f=-5.7!) USER MOD Set 2.1: A 16 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 74 MET CE :methyl -167:sc= -0.0769 (180deg=-0.324) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0229 USER MOD Single : A 12 SER OG : rot 7:sc= 0.278 USER MOD Single : A 15 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0722) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS :FLIP no HD1:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 13:sc= 0.876 USER MOD Single : A 27 MET CE :methyl 162:sc= -0.0867 (180deg=-0.55) USER MOD Single : A 28 SER OG : rot 105:sc= 1.27 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 96:sc= 1.3 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.0206 X(o=-0.021,f=-0.43) USER MOD Single : A 43 SER OG : rot -29:sc= 0.0809 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0736 K(o=-0.074,f=-0.71) USER MOD Single : A 49 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.25) USER MOD Single : A 52 SER OG : rot 73:sc= 0.685 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.0119 F(o=-1,f=-0.012) USER MOD Single : A 57 SER OG : rot 169:sc= 0.345 USER MOD Single : A 61 GLN : amide:sc= -2.41! C(o=-2.4!,f=-9.3!) USER MOD Single : A 64 LYS NZ :NH3+ -133:sc= 0.606 (180deg=-0.0836) USER MOD Single : A 66 THR OG1 : rot -89:sc= 0.95 USER MOD Single : A 75 HIS :FLIP no HD1:sc= -0.309 F(o=-1.1,f=-0.31) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -43:sc= 0.228 USER MOD Single : A 84 GLN : amide:sc= -0.0602 X(o=-0.06,f=-0.22) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -0.559 X(o=-0.56,f=-0.12) USER MOD Single : A 107 HIS : no HE2:sc= 0.897 K(o=0.9,f=-5.2!) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.00077) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -9.681 21.336 -1.246 1.00 0.00 N ATOM 2 CA PRO A 1 -10.105 20.872 0.090 1.00 0.00 C ATOM 3 C PRO A 1 -8.940 20.224 0.821 1.00 0.00 C ATOM 4 O PRO A 1 -8.228 19.400 0.248 1.00 0.00 O ATOM 5 CB PRO A 1 -11.244 19.876 -0.068 1.00 0.00 C ATOM 6 CG PRO A 1 -11.284 19.621 -1.533 1.00 0.00 C ATOM 7 CD PRO A 1 -10.705 20.852 -2.190 1.00 0.00 C ATOM 0 H2 PRO A 1 -8.761 20.967 -1.485 1.00 0.00 H new ATOM 0 H3 PRO A 1 -9.611 22.353 -1.274 1.00 0.00 H new ATOM 0 HA PRO A 1 -10.444 21.725 0.677 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -11.057 18.961 0.493 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -12.187 20.285 0.294 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -10.705 18.734 -1.790 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -12.305 19.444 -1.870 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -10.268 20.614 -3.160 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -11.472 21.607 -2.362 1.00 0.00 H new ATOM 17 N PRO A 2 -8.726 20.593 2.090 1.00 0.00 N ATOM 18 CA PRO A 2 -7.638 20.036 2.890 1.00 0.00 C ATOM 19 C PRO A 2 -7.915 18.593 3.309 1.00 0.00 C ATOM 20 O PRO A 2 -8.911 18.304 3.978 1.00 0.00 O ATOM 21 CB PRO A 2 -7.583 20.956 4.111 1.00 0.00 C ATOM 22 CG PRO A 2 -8.963 21.511 4.237 1.00 0.00 C ATOM 23 CD PRO A 2 -9.519 21.590 2.842 1.00 0.00 C ATOM 0 HA PRO A 2 -6.700 19.996 2.337 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.295 20.406 5.007 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -6.849 21.750 3.974 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -9.582 20.872 4.866 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.944 22.496 4.704 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -10.583 21.353 2.821 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -9.407 22.590 2.422 1.00 0.00 H new ATOM 31 N VAL A 3 -7.043 17.687 2.894 1.00 0.00 N ATOM 32 CA VAL A 3 -7.172 16.282 3.246 1.00 0.00 C ATOM 33 C VAL A 3 -6.309 15.968 4.460 1.00 0.00 C ATOM 34 O VAL A 3 -5.115 16.265 4.470 1.00 0.00 O ATOM 35 CB VAL A 3 -6.760 15.367 2.072 1.00 0.00 C ATOM 36 CG1 VAL A 3 -6.956 13.897 2.426 1.00 0.00 C ATOM 37 CG2 VAL A 3 -7.541 15.724 0.815 1.00 0.00 C ATOM 0 H VAL A 3 -6.235 17.902 2.310 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.220 16.092 3.479 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.700 15.527 1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.658 13.276 1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.345 13.647 3.293 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.006 13.715 2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.237 15.068 -0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.608 15.600 1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.339 16.760 0.543 1.00 0.00 H new ATOM 47 N ALA A 4 -6.917 15.386 5.482 1.00 0.00 N ATOM 48 CA ALA A 4 -6.201 15.052 6.706 1.00 0.00 C ATOM 49 C ALA A 4 -6.298 13.559 6.996 1.00 0.00 C ATOM 50 O ALA A 4 -7.126 12.862 6.399 1.00 0.00 O ATOM 51 CB ALA A 4 -6.748 15.855 7.874 1.00 0.00 C ATOM 0 H ALA A 4 -7.905 15.134 5.489 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.150 15.307 6.569 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.203 15.595 8.781 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.628 16.919 7.672 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.806 15.628 8.008 1.00 0.00 H new ATOM 57 N GLU A 5 -5.451 13.088 7.912 1.00 0.00 N ATOM 58 CA GLU A 5 -5.382 11.672 8.279 1.00 0.00 C ATOM 59 C GLU A 5 -4.905 10.858 7.074 1.00 0.00 C ATOM 60 O GLU A 5 -4.333 11.412 6.135 1.00 0.00 O ATOM 61 CB GLU A 5 -6.743 11.163 8.781 1.00 0.00 C ATOM 62 CG GLU A 5 -6.637 9.983 9.736 1.00 0.00 C ATOM 63 CD GLU A 5 -7.685 8.925 9.472 1.00 0.00 C ATOM 64 OE1 GLU A 5 -7.503 8.138 8.522 1.00 0.00 O ATOM 65 OE2 GLU A 5 -8.685 8.868 10.216 1.00 0.00 O ATOM 0 H GLU A 5 -4.793 13.678 8.421 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.670 11.553 9.095 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.265 11.979 9.281 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.352 10.873 7.924 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.646 9.537 9.648 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.737 10.340 10.761 1.00 0.00 H new ATOM 72 N TRP A 6 -5.101 9.550 7.112 1.00 0.00 N ATOM 73 CA TRP A 6 -4.736 8.704 5.992 1.00 0.00 C ATOM 74 C TRP A 6 -5.742 8.916 4.867 1.00 0.00 C ATOM 75 O TRP A 6 -6.951 8.747 5.062 1.00 0.00 O ATOM 76 CB TRP A 6 -4.695 7.238 6.432 1.00 0.00 C ATOM 77 CG TRP A 6 -3.963 6.334 5.480 1.00 0.00 C ATOM 78 CD1 TRP A 6 -3.111 6.703 4.478 1.00 0.00 C ATOM 79 CD2 TRP A 6 -4.009 4.903 5.458 1.00 0.00 C ATOM 80 NE1 TRP A 6 -2.637 5.589 3.827 1.00 0.00 N ATOM 81 CE2 TRP A 6 -3.172 4.472 4.411 1.00 0.00 C ATOM 82 CE3 TRP A 6 -4.683 3.944 6.219 1.00 0.00 C ATOM 83 CZ2 TRP A 6 -2.990 3.125 4.111 1.00 0.00 C ATOM 84 CZ3 TRP A 6 -4.501 2.609 5.921 1.00 0.00 C ATOM 85 CH2 TRP A 6 -3.663 2.209 4.875 1.00 0.00 C ATOM 0 H TRP A 6 -5.510 9.054 7.904 1.00 0.00 H new ATOM 0 HA TRP A 6 -3.742 8.968 5.631 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -4.221 7.177 7.412 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -5.716 6.876 6.548 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -2.848 7.721 4.233 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.992 5.594 3.037 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -5.335 4.243 7.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.342 2.814 3.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.015 1.860 6.506 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.544 1.156 4.666 1.00 0.00 H new ATOM 96 N ALA A 7 -5.241 9.302 3.701 1.00 0.00 N ATOM 97 CA ALA A 7 -6.086 9.702 2.578 1.00 0.00 C ATOM 98 C ALA A 7 -6.711 8.506 1.856 1.00 0.00 C ATOM 99 O ALA A 7 -6.642 8.393 0.632 1.00 0.00 O ATOM 100 CB ALA A 7 -5.284 10.552 1.603 1.00 0.00 C ATOM 0 H ALA A 7 -4.241 9.347 3.505 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.910 10.289 2.984 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.920 10.847 0.768 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.918 11.443 2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.438 9.976 1.228 1.00 0.00 H new ATOM 106 N VAL A 8 -7.313 7.620 2.622 1.00 0.00 N ATOM 107 CA VAL A 8 -8.086 6.520 2.074 1.00 0.00 C ATOM 108 C VAL A 8 -9.420 6.404 2.814 1.00 0.00 C ATOM 109 O VAL A 8 -9.453 6.440 4.046 1.00 0.00 O ATOM 110 CB VAL A 8 -7.307 5.186 2.164 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.935 4.864 3.601 1.00 0.00 C ATOM 112 CG2 VAL A 8 -8.106 4.043 1.560 1.00 0.00 C ATOM 0 H VAL A 8 -7.282 7.640 3.641 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.274 6.727 1.020 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.388 5.305 1.589 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.389 3.921 3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.308 5.661 4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.841 4.779 4.201 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.534 3.118 1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.048 3.933 2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.310 4.257 0.511 1.00 0.00 H new ATOM 122 N PRO A 9 -10.543 6.312 2.072 1.00 0.00 N ATOM 123 CA PRO A 9 -11.873 6.149 2.666 1.00 0.00 C ATOM 124 C PRO A 9 -11.912 5.029 3.702 1.00 0.00 C ATOM 125 O PRO A 9 -11.271 3.986 3.534 1.00 0.00 O ATOM 126 CB PRO A 9 -12.757 5.798 1.467 1.00 0.00 C ATOM 127 CG PRO A 9 -12.078 6.423 0.301 1.00 0.00 C ATOM 128 CD PRO A 9 -10.603 6.381 0.599 1.00 0.00 C ATOM 0 HA PRO A 9 -12.192 7.043 3.201 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.845 4.719 1.342 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.767 6.188 1.592 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.305 5.881 -0.617 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.417 7.449 0.158 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.126 5.516 0.138 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.093 7.266 0.219 1.00 0.00 H new ATOM 136 N GLN A 10 -12.665 5.247 4.770 1.00 0.00 N ATOM 137 CA GLN A 10 -12.749 4.280 5.854 1.00 0.00 C ATOM 138 C GLN A 10 -13.400 2.990 5.369 1.00 0.00 C ATOM 139 O GLN A 10 -13.017 1.900 5.781 1.00 0.00 O ATOM 140 CB GLN A 10 -13.531 4.854 7.033 1.00 0.00 C ATOM 141 CG GLN A 10 -12.951 6.150 7.575 1.00 0.00 C ATOM 142 CD GLN A 10 -13.697 6.656 8.792 1.00 0.00 C ATOM 143 OE1 GLN A 10 -14.680 7.388 8.672 1.00 0.00 O ATOM 144 NE2 GLN A 10 -13.232 6.276 9.969 1.00 0.00 N ATOM 0 H GLN A 10 -13.227 6.086 4.909 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.736 4.057 6.188 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -14.562 5.028 6.724 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.559 4.115 7.834 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.903 5.995 7.834 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.978 6.910 6.795 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.414 5.669 10.022 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -13.691 6.590 10.824 1.00 0.00 H new ATOM 153 N SER A 11 -14.369 3.126 4.476 1.00 0.00 N ATOM 154 CA SER A 11 -15.023 1.975 3.869 1.00 0.00 C ATOM 155 C SER A 11 -14.006 1.117 3.117 1.00 0.00 C ATOM 156 O SER A 11 -14.035 -0.114 3.184 1.00 0.00 O ATOM 157 CB SER A 11 -16.126 2.458 2.926 1.00 0.00 C ATOM 158 OG SER A 11 -15.672 3.557 2.149 1.00 0.00 O ATOM 0 H SER A 11 -14.722 4.027 4.154 1.00 0.00 H new ATOM 0 HA SER A 11 -15.468 1.359 4.651 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.434 1.644 2.270 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.003 2.751 3.503 1.00 0.00 H new ATOM 0 HG SER A 11 -16.389 3.853 1.550 1.00 0.00 H new ATOM 164 N SER A 12 -13.088 1.785 2.430 1.00 0.00 N ATOM 165 CA SER A 12 -12.065 1.110 1.651 1.00 0.00 C ATOM 166 C SER A 12 -11.072 0.395 2.565 1.00 0.00 C ATOM 167 O SER A 12 -10.736 -0.766 2.335 1.00 0.00 O ATOM 168 CB SER A 12 -11.341 2.118 0.752 1.00 0.00 C ATOM 169 OG SER A 12 -10.374 1.484 -0.067 1.00 0.00 O ATOM 0 H SER A 12 -13.034 2.803 2.399 1.00 0.00 H new ATOM 0 HA SER A 12 -12.544 0.360 1.022 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.067 2.635 0.125 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.857 2.875 1.369 1.00 0.00 H new ATOM 0 HG SER A 12 -10.443 0.512 0.038 1.00 0.00 H new ATOM 175 N ARG A 13 -10.628 1.078 3.617 1.00 0.00 N ATOM 176 CA ARG A 13 -9.630 0.508 4.518 1.00 0.00 C ATOM 177 C ARG A 13 -10.213 -0.672 5.298 1.00 0.00 C ATOM 178 O ARG A 13 -9.495 -1.607 5.653 1.00 0.00 O ATOM 179 CB ARG A 13 -9.075 1.581 5.469 1.00 0.00 C ATOM 180 CG ARG A 13 -10.072 2.083 6.493 1.00 0.00 C ATOM 181 CD ARG A 13 -9.473 3.153 7.396 1.00 0.00 C ATOM 182 NE ARG A 13 -9.221 4.411 6.688 1.00 0.00 N ATOM 183 CZ ARG A 13 -8.759 5.518 7.278 1.00 0.00 C ATOM 184 NH1 ARG A 13 -8.539 5.544 8.584 1.00 0.00 N ATOM 185 NH2 ARG A 13 -8.542 6.614 6.570 1.00 0.00 N ATOM 0 H ARG A 13 -10.939 2.017 3.865 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.802 0.135 3.916 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.209 1.174 5.991 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.722 2.426 4.878 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.945 2.488 5.981 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.418 1.248 7.101 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.149 3.339 8.231 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.538 2.785 7.819 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.409 4.444 5.686 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.722 4.715 9.149 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.186 6.393 9.025 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.727 6.618 5.567 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.189 7.455 7.027 1.00 0.00 H new ATOM 199 N LEU A 14 -11.517 -0.625 5.557 1.00 0.00 N ATOM 200 CA LEU A 14 -12.209 -1.729 6.205 1.00 0.00 C ATOM 201 C LEU A 14 -12.350 -2.917 5.256 1.00 0.00 C ATOM 202 O LEU A 14 -12.068 -4.058 5.625 1.00 0.00 O ATOM 203 CB LEU A 14 -13.588 -1.274 6.687 1.00 0.00 C ATOM 204 CG LEU A 14 -13.580 -0.286 7.853 1.00 0.00 C ATOM 205 CD1 LEU A 14 -14.997 0.133 8.207 1.00 0.00 C ATOM 206 CD2 LEU A 14 -12.886 -0.893 9.063 1.00 0.00 C ATOM 0 H LEU A 14 -12.115 0.169 5.326 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.617 -2.047 7.064 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.115 -0.817 5.849 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.160 -2.154 6.982 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.025 0.601 7.547 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.971 0.836 9.039 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.462 0.609 7.344 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.576 -0.746 8.492 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.890 -0.175 9.883 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.413 -1.797 9.369 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.857 -1.143 8.805 1.00 0.00 H new ATOM 218 N LYS A 15 -12.773 -2.636 4.028 1.00 0.00 N ATOM 219 CA LYS A 15 -13.001 -3.680 3.031 1.00 0.00 C ATOM 220 C LYS A 15 -11.721 -4.458 2.725 1.00 0.00 C ATOM 221 O LYS A 15 -11.750 -5.676 2.575 1.00 0.00 O ATOM 222 CB LYS A 15 -13.551 -3.070 1.737 1.00 0.00 C ATOM 223 CG LYS A 15 -13.779 -4.090 0.630 1.00 0.00 C ATOM 224 CD LYS A 15 -14.235 -3.424 -0.657 1.00 0.00 C ATOM 225 CE LYS A 15 -14.364 -4.431 -1.791 1.00 0.00 C ATOM 226 NZ LYS A 15 -15.406 -5.457 -1.517 1.00 0.00 N ATOM 0 H LYS A 15 -12.966 -1.691 3.697 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.731 -4.374 3.448 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.493 -2.566 1.955 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.857 -2.309 1.381 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.857 -4.643 0.448 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.527 -4.815 0.950 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.195 -2.933 -0.494 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.524 -2.647 -0.938 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.608 -3.906 -2.715 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.404 -4.923 -1.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.554 -6.037 -2.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.096 -6.065 -0.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.297 -4.987 -1.260 1.00 0.00 H new ATOM 240 N TYR A 16 -10.599 -3.760 2.643 1.00 0.00 N ATOM 241 CA TYR A 16 -9.345 -4.406 2.282 1.00 0.00 C ATOM 242 C TYR A 16 -8.621 -4.969 3.504 1.00 0.00 C ATOM 243 O TYR A 16 -7.570 -5.592 3.378 1.00 0.00 O ATOM 244 CB TYR A 16 -8.462 -3.448 1.483 1.00 0.00 C ATOM 245 CG TYR A 16 -9.055 -3.111 0.129 1.00 0.00 C ATOM 246 CD1 TYR A 16 -9.242 -4.099 -0.830 1.00 0.00 C ATOM 247 CD2 TYR A 16 -9.446 -1.816 -0.182 1.00 0.00 C ATOM 248 CE1 TYR A 16 -9.794 -3.804 -2.062 1.00 0.00 C ATOM 249 CE2 TYR A 16 -10.002 -1.512 -1.410 1.00 0.00 C ATOM 250 CZ TYR A 16 -10.174 -2.509 -2.345 1.00 0.00 C ATOM 251 OH TYR A 16 -10.724 -2.206 -3.570 1.00 0.00 O ATOM 0 H TYR A 16 -10.529 -2.758 2.819 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.576 -5.259 1.644 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.318 -2.530 2.053 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.478 -3.895 1.345 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.951 -5.115 -0.609 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.313 -1.032 0.549 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -9.927 -4.583 -2.798 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -10.300 -0.499 -1.635 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.937 -1.250 -3.606 1.00 0.00 H new ATOM 261 N ARG A 17 -9.181 -4.748 4.689 1.00 0.00 N ATOM 262 CA ARG A 17 -8.799 -5.534 5.859 1.00 0.00 C ATOM 263 C ARG A 17 -9.461 -6.900 5.752 1.00 0.00 C ATOM 264 O ARG A 17 -8.912 -7.918 6.158 1.00 0.00 O ATOM 265 CB ARG A 17 -9.216 -4.848 7.161 1.00 0.00 C ATOM 266 CG ARG A 17 -9.058 -5.744 8.381 1.00 0.00 C ATOM 267 CD ARG A 17 -9.428 -5.021 9.659 1.00 0.00 C ATOM 268 NE ARG A 17 -9.535 -5.940 10.796 1.00 0.00 N ATOM 269 CZ ARG A 17 -9.288 -5.601 12.061 1.00 0.00 C ATOM 270 NH1 ARG A 17 -8.875 -4.374 12.358 1.00 0.00 N ATOM 271 NH2 ARG A 17 -9.435 -6.501 13.026 1.00 0.00 N ATOM 0 H ARG A 17 -9.893 -4.039 4.865 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.714 -5.634 5.882 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.618 -3.947 7.299 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.256 -4.531 7.082 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.687 -6.627 8.268 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.027 -6.092 8.445 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.678 -4.261 9.876 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.377 -4.502 9.521 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.817 -6.902 10.607 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.745 -3.686 11.616 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.687 -4.120 13.328 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.736 -7.449 12.798 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.247 -6.245 13.995 1.00 0.00 H new ATOM 285 N GLN A 18 -10.645 -6.883 5.165 1.00 0.00 N ATOM 286 CA GLN A 18 -11.460 -8.069 4.931 1.00 0.00 C ATOM 287 C GLN A 18 -10.987 -8.853 3.713 1.00 0.00 C ATOM 288 O GLN A 18 -11.417 -9.972 3.468 1.00 0.00 O ATOM 289 CB GLN A 18 -12.887 -7.626 4.697 1.00 0.00 C ATOM 290 CG GLN A 18 -13.717 -7.493 5.960 1.00 0.00 C ATOM 291 CD GLN A 18 -15.068 -6.871 5.687 1.00 0.00 C ATOM 292 OE1 GLN A 18 -16.039 -7.572 5.407 1.00 0.00 O ATOM 293 NE2 GLN A 18 -15.134 -5.552 5.768 1.00 0.00 N ATOM 0 H GLN A 18 -11.080 -6.024 4.828 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.379 -8.719 5.802 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.877 -6.666 4.181 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.372 -8.340 4.032 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.855 -8.477 6.409 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.178 -6.884 6.686 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.301 -5.013 6.004 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.018 -5.074 5.595 1.00 0.00 H new ATOM 302 N LEU A 19 -10.133 -8.222 2.950 1.00 0.00 N ATOM 303 CA LEU A 19 -9.672 -8.723 1.653 1.00 0.00 C ATOM 304 C LEU A 19 -8.324 -8.112 1.346 1.00 0.00 C ATOM 305 O LEU A 19 -8.093 -7.703 0.214 1.00 0.00 O ATOM 306 CB LEU A 19 -10.651 -8.249 0.592 1.00 0.00 C ATOM 307 CG LEU A 19 -10.617 -8.990 -0.746 1.00 0.00 C ATOM 308 CD1 LEU A 19 -11.070 -10.427 -0.575 1.00 0.00 C ATOM 309 CD2 LEU A 19 -11.487 -8.276 -1.768 1.00 0.00 C ATOM 0 H LEU A 19 -9.721 -7.325 3.206 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.603 -9.811 1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.659 -8.326 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.463 -7.192 0.402 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.589 -8.997 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.038 -10.936 -1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.409 -10.936 0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.089 -10.444 -0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.453 -8.815 -2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.515 -8.239 -1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.118 -7.261 -1.915 1.00 0.00 H new ATOM 321 N PHE A 20 -7.402 -8.053 2.295 1.00 0.00 N ATOM 322 CA PHE A 20 -6.858 -9.184 3.097 1.00 0.00 C ATOM 323 C PHE A 20 -7.781 -10.318 3.558 1.00 0.00 C ATOM 324 O PHE A 20 -7.854 -11.330 2.876 1.00 0.00 O ATOM 325 CB PHE A 20 -6.126 -8.619 4.315 1.00 0.00 C ATOM 326 CG PHE A 20 -4.638 -8.582 4.140 1.00 0.00 C ATOM 327 CD1 PHE A 20 -4.059 -7.752 3.197 1.00 0.00 C ATOM 328 CD2 PHE A 20 -3.818 -9.383 4.919 1.00 0.00 C ATOM 329 CE1 PHE A 20 -2.688 -7.719 3.032 1.00 0.00 C ATOM 330 CE2 PHE A 20 -2.447 -9.354 4.760 1.00 0.00 C ATOM 331 CZ PHE A 20 -1.881 -8.521 3.817 1.00 0.00 C ATOM 0 H PHE A 20 -6.974 -7.165 2.557 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.222 -9.690 2.370 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.488 -7.610 4.514 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.368 -9.223 5.190 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.686 -7.123 2.583 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.256 -10.037 5.658 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.248 -7.068 2.291 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.818 -9.983 5.373 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.809 -8.496 3.692 1.00 0.00 H new ATOM 341 N ASN A 21 -8.487 -10.146 4.673 1.00 0.00 N ATOM 342 CA ASN A 21 -8.899 -11.273 5.549 1.00 0.00 C ATOM 343 C ASN A 21 -9.507 -12.485 4.818 1.00 0.00 C ATOM 344 O ASN A 21 -9.251 -13.620 5.206 1.00 0.00 O ATOM 345 CB ASN A 21 -9.897 -10.769 6.595 1.00 0.00 C ATOM 346 CG ASN A 21 -10.215 -11.792 7.673 1.00 0.00 C ATOM 347 OD1 ASN A 21 -9.231 -12.590 8.064 1.00 0.00 O flip ATOM 348 ND2 ASN A 21 -11.339 -11.844 8.173 1.00 0.00 N flip ATOM 0 H ASN A 21 -8.795 -9.232 5.005 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.977 -11.634 6.006 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.496 -9.871 7.065 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.822 -10.481 6.094 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.072 -11.214 7.847 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.537 -12.517 8.913 1.00 0.00 H new ATOM 355 N SER A 22 -10.285 -12.264 3.771 1.00 0.00 N ATOM 356 CA SER A 22 -10.884 -13.362 3.011 1.00 0.00 C ATOM 357 C SER A 22 -9.803 -14.273 2.404 1.00 0.00 C ATOM 358 O SER A 22 -10.048 -15.447 2.124 1.00 0.00 O ATOM 359 CB SER A 22 -11.782 -12.788 1.912 1.00 0.00 C ATOM 360 OG SER A 22 -12.472 -13.803 1.197 1.00 0.00 O ATOM 0 H SER A 22 -10.520 -11.334 3.423 1.00 0.00 H new ATOM 0 HA SER A 22 -11.484 -13.970 3.688 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.505 -12.104 2.356 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.176 -12.205 1.218 1.00 0.00 H new ATOM 0 HG SER A 22 -13.034 -13.393 0.507 1.00 0.00 H new ATOM 366 N HIS A 23 -8.612 -13.723 2.211 1.00 0.00 N ATOM 367 CA HIS A 23 -7.487 -14.460 1.647 1.00 0.00 C ATOM 368 C HIS A 23 -6.412 -14.690 2.709 1.00 0.00 C ATOM 369 O HIS A 23 -5.270 -15.018 2.388 1.00 0.00 O ATOM 370 CB HIS A 23 -6.881 -13.685 0.469 1.00 0.00 C ATOM 371 CG HIS A 23 -7.706 -13.704 -0.782 1.00 0.00 C ATOM 372 ND1 HIS A 23 -8.713 -12.898 -1.189 1.00 0.00 N flip ATOM 373 CD2 HIS A 23 -7.517 -14.617 -1.798 1.00 0.00 C flip ATOM 374 CE1 HIS A 23 -9.106 -13.330 -2.431 1.00 0.00 C flip ATOM 375 NE2 HIS A 23 -8.370 -14.369 -2.774 1.00 0.00 N flip ATOM 0 H HIS A 23 -8.397 -12.753 2.441 1.00 0.00 H new ATOM 0 HA HIS A 23 -7.853 -15.424 1.295 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.729 -12.649 0.772 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.898 -14.099 0.246 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -6.785 -15.411 -1.795 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -9.890 -12.891 -3.030 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -8.447 -14.892 -3.646 1.00 0.00 H new ATOM 384 N ASP A 24 -6.786 -14.528 3.970 1.00 0.00 N ATOM 385 CA ASP A 24 -5.830 -14.613 5.072 1.00 0.00 C ATOM 386 C ASP A 24 -6.323 -15.550 6.171 1.00 0.00 C ATOM 387 O ASP A 24 -7.504 -15.560 6.515 1.00 0.00 O ATOM 388 CB ASP A 24 -5.558 -13.213 5.642 1.00 0.00 C ATOM 389 CG ASP A 24 -4.957 -13.244 7.035 1.00 0.00 C ATOM 390 OD1 ASP A 24 -3.855 -13.814 7.214 1.00 0.00 O ATOM 391 OD2 ASP A 24 -5.602 -12.722 7.965 1.00 0.00 O ATOM 0 H ASP A 24 -7.745 -14.337 4.259 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.901 -15.026 4.680 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.882 -12.680 4.973 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.491 -12.650 5.668 1.00 0.00 H new ATOM 396 N LYS A 25 -5.408 -16.341 6.720 1.00 0.00 N ATOM 397 CA LYS A 25 -5.732 -17.264 7.803 1.00 0.00 C ATOM 398 C LYS A 25 -5.360 -16.656 9.153 1.00 0.00 C ATOM 399 O LYS A 25 -4.945 -17.365 10.071 1.00 0.00 O ATOM 400 CB LYS A 25 -4.995 -18.594 7.614 1.00 0.00 C ATOM 401 CG LYS A 25 -3.477 -18.464 7.603 1.00 0.00 C ATOM 402 CD LYS A 25 -2.801 -19.814 7.777 1.00 0.00 C ATOM 403 CE LYS A 25 -3.156 -20.771 6.652 1.00 0.00 C ATOM 404 NZ LYS A 25 -2.650 -22.144 6.915 1.00 0.00 N ATOM 0 H LYS A 25 -4.430 -16.362 6.431 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.806 -17.449 7.782 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.285 -19.276 8.414 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.318 -19.047 6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.156 -18.014 6.664 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.162 -17.793 8.402 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.720 -19.678 7.811 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.098 -20.249 8.731 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.238 -20.800 6.528 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.737 -20.402 5.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.912 -22.768 6.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.615 -22.120 7.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.069 -22.506 7.795 1.00 0.00 H new ATOM 418 N THR A 26 -5.521 -15.338 9.256 1.00 0.00 N ATOM 419 CA THR A 26 -5.160 -14.563 10.447 1.00 0.00 C ATOM 420 C THR A 26 -3.708 -14.811 10.856 1.00 0.00 C ATOM 421 O THR A 26 -3.366 -14.789 12.042 1.00 0.00 O ATOM 422 CB THR A 26 -6.115 -14.828 11.642 1.00 0.00 C ATOM 423 OG1 THR A 26 -6.128 -16.214 12.012 1.00 0.00 O ATOM 424 CG2 THR A 26 -7.532 -14.384 11.305 1.00 0.00 C ATOM 0 H THR A 26 -5.911 -14.768 8.505 1.00 0.00 H new ATOM 0 HA THR A 26 -5.268 -13.514 10.173 1.00 0.00 H new ATOM 0 HB THR A 26 -5.741 -14.248 12.486 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.387 -16.678 11.568 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.186 -14.578 12.155 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.535 -13.317 11.081 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.890 -14.938 10.438 1.00 0.00 H new ATOM 432 N MET A 27 -2.847 -15.015 9.861 1.00 0.00 N ATOM 433 CA MET A 27 -1.443 -15.308 10.124 1.00 0.00 C ATOM 434 C MET A 27 -0.588 -15.094 8.871 1.00 0.00 C ATOM 435 O MET A 27 0.512 -15.638 8.756 1.00 0.00 O ATOM 436 CB MET A 27 -1.299 -16.753 10.623 1.00 0.00 C ATOM 437 CG MET A 27 0.032 -17.045 11.300 1.00 0.00 C ATOM 438 SD MET A 27 0.153 -18.741 11.907 1.00 0.00 S ATOM 439 CE MET A 27 0.100 -19.657 10.368 1.00 0.00 C ATOM 0 H MET A 27 -3.096 -14.983 8.872 1.00 0.00 H new ATOM 0 HA MET A 27 -1.088 -14.622 10.893 1.00 0.00 H new ATOM 0 HB2 MET A 27 -2.106 -16.966 11.324 1.00 0.00 H new ATOM 0 HB3 MET A 27 -1.422 -17.432 9.779 1.00 0.00 H new ATOM 0 HG2 MET A 27 0.842 -16.858 10.595 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.169 -16.355 12.133 1.00 0.00 H new ATOM 0 HE1 MET A 27 0.478 -20.666 10.532 1.00 0.00 H new ATOM 0 HE2 MET A 27 -0.928 -19.708 10.010 1.00 0.00 H new ATOM 0 HE3 MET A 27 0.718 -19.154 9.624 1.00 0.00 H new ATOM 449 N SER A 28 -1.086 -14.303 7.929 1.00 0.00 N ATOM 450 CA SER A 28 -0.315 -13.992 6.735 1.00 0.00 C ATOM 451 C SER A 28 0.546 -12.755 6.973 1.00 0.00 C ATOM 452 O SER A 28 1.737 -12.746 6.658 1.00 0.00 O ATOM 453 CB SER A 28 -1.238 -13.769 5.536 1.00 0.00 C ATOM 454 OG SER A 28 -2.214 -14.795 5.456 1.00 0.00 O ATOM 0 H SER A 28 -2.009 -13.870 7.968 1.00 0.00 H new ATOM 0 HA SER A 28 0.334 -14.839 6.515 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.729 -12.800 5.624 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.651 -13.747 4.618 1.00 0.00 H new ATOM 0 HG SER A 28 -3.081 -14.445 5.749 1.00 0.00 H new ATOM 460 N GLY A 29 -0.069 -11.706 7.520 1.00 0.00 N ATOM 461 CA GLY A 29 0.647 -10.472 7.808 1.00 0.00 C ATOM 462 C GLY A 29 0.890 -9.644 6.561 1.00 0.00 C ATOM 463 O GLY A 29 0.762 -8.418 6.576 1.00 0.00 O ATOM 0 H GLY A 29 -1.058 -11.690 7.770 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.077 -9.883 8.527 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.602 -10.709 8.276 1.00 0.00 H new ATOM 467 N HIS A 30 1.232 -10.321 5.480 1.00 0.00 N ATOM 468 CA HIS A 30 1.489 -9.675 4.208 1.00 0.00 C ATOM 469 C HIS A 30 1.077 -10.588 3.069 1.00 0.00 C ATOM 470 O HIS A 30 1.082 -11.809 3.214 1.00 0.00 O ATOM 471 CB HIS A 30 2.972 -9.307 4.060 1.00 0.00 C ATOM 472 CG HIS A 30 3.918 -10.467 4.209 1.00 0.00 C ATOM 473 ND1 HIS A 30 4.446 -10.868 5.421 1.00 0.00 N ATOM 474 CD2 HIS A 30 4.430 -11.317 3.284 1.00 0.00 C ATOM 475 CE1 HIS A 30 5.235 -11.909 5.232 1.00 0.00 C ATOM 476 NE2 HIS A 30 5.243 -12.201 3.946 1.00 0.00 N ATOM 0 H HIS A 30 1.339 -11.335 5.460 1.00 0.00 H new ATOM 0 HA HIS A 30 0.902 -8.757 4.174 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.125 -8.853 3.081 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.222 -8.552 4.805 1.00 0.00 H new ATOM 0 HD2 HIS A 30 4.234 -11.301 2.222 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.782 -12.434 6.001 1.00 0.00 H new ATOM 0 HE2 HIS A 30 5.769 -12.961 3.514 1.00 0.00 H new ATOM 485 N LEU A 31 0.727 -9.993 1.951 1.00 0.00 N ATOM 486 CA LEU A 31 0.441 -10.751 0.749 1.00 0.00 C ATOM 487 C LEU A 31 1.692 -10.813 -0.109 1.00 0.00 C ATOM 488 O LEU A 31 2.585 -9.974 0.029 1.00 0.00 O ATOM 489 CB LEU A 31 -0.707 -10.118 -0.045 1.00 0.00 C ATOM 490 CG LEU A 31 -2.069 -10.120 0.651 1.00 0.00 C ATOM 491 CD1 LEU A 31 -3.123 -9.472 -0.235 1.00 0.00 C ATOM 492 CD2 LEU A 31 -2.480 -11.538 1.023 1.00 0.00 C ATOM 0 H LEU A 31 0.633 -8.983 1.847 1.00 0.00 H new ATOM 0 HA LEU A 31 0.135 -11.757 1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.439 -9.087 -0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.803 -10.645 -0.994 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.986 -9.537 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.085 -9.483 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.836 -8.442 -0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.203 -10.027 -1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.451 -11.518 1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.544 -12.147 0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.739 -11.966 1.698 1.00 0.00 H new ATOM 504 N THR A 32 1.768 -11.805 -0.969 1.00 0.00 N ATOM 505 CA THR A 32 2.906 -11.949 -1.854 1.00 0.00 C ATOM 506 C THR A 32 2.662 -11.212 -3.167 1.00 0.00 C ATOM 507 O THR A 32 1.544 -10.757 -3.434 1.00 0.00 O ATOM 508 CB THR A 32 3.199 -13.433 -2.141 1.00 0.00 C ATOM 509 OG1 THR A 32 2.001 -14.094 -2.570 1.00 0.00 O ATOM 510 CG2 THR A 32 3.750 -14.128 -0.903 1.00 0.00 C ATOM 0 H THR A 32 1.054 -12.526 -1.075 1.00 0.00 H new ATOM 0 HA THR A 32 3.771 -11.512 -1.354 1.00 0.00 H new ATOM 0 HB THR A 32 3.948 -13.486 -2.931 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.195 -15.037 -2.752 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.949 -15.175 -1.132 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.676 -13.642 -0.594 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.021 -14.065 -0.096 1.00 0.00 H new ATOM 518 N GLY A 33 3.718 -11.094 -3.967 1.00 0.00 N ATOM 519 CA GLY A 33 3.631 -10.451 -5.267 1.00 0.00 C ATOM 520 C GLY A 33 2.464 -10.952 -6.098 1.00 0.00 C ATOM 521 O GLY A 33 1.550 -10.182 -6.388 1.00 0.00 O ATOM 0 H GLY A 33 4.649 -11.439 -3.732 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.536 -9.374 -5.128 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.559 -10.621 -5.813 1.00 0.00 H new ATOM 525 N PRO A 34 2.466 -12.240 -6.496 1.00 0.00 N ATOM 526 CA PRO A 34 1.375 -12.829 -7.281 1.00 0.00 C ATOM 527 C PRO A 34 -0.002 -12.547 -6.682 1.00 0.00 C ATOM 528 O PRO A 34 -0.921 -12.172 -7.401 1.00 0.00 O ATOM 529 CB PRO A 34 1.680 -14.327 -7.248 1.00 0.00 C ATOM 530 CG PRO A 34 3.156 -14.405 -7.077 1.00 0.00 C ATOM 531 CD PRO A 34 3.539 -13.220 -6.231 1.00 0.00 C ATOM 0 HA PRO A 34 1.331 -12.411 -8.287 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.159 -14.820 -6.427 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.361 -14.817 -8.168 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.444 -15.339 -6.594 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.663 -14.376 -8.042 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.590 -13.482 -5.174 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.517 -12.828 -6.510 1.00 0.00 H new ATOM 539 N GLN A 35 -0.134 -12.710 -5.366 1.00 0.00 N ATOM 540 CA GLN A 35 -1.403 -12.452 -4.685 1.00 0.00 C ATOM 541 C GLN A 35 -1.869 -11.020 -4.919 1.00 0.00 C ATOM 542 O GLN A 35 -2.979 -10.787 -5.404 1.00 0.00 O ATOM 543 CB GLN A 35 -1.275 -12.716 -3.185 1.00 0.00 C ATOM 544 CG GLN A 35 -1.303 -14.189 -2.817 1.00 0.00 C ATOM 545 CD GLN A 35 -1.061 -14.422 -1.339 1.00 0.00 C ATOM 546 OE1 GLN A 35 -0.317 -13.681 -0.697 1.00 0.00 O ATOM 547 NE2 GLN A 35 -1.696 -15.445 -0.788 1.00 0.00 N ATOM 0 H GLN A 35 0.619 -13.019 -4.752 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.146 -13.132 -5.102 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.343 -12.279 -2.827 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.086 -12.206 -2.665 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.269 -14.611 -3.095 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.545 -14.719 -3.394 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.304 -16.034 -1.357 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.577 -15.644 0.205 1.00 0.00 H new ATOM 556 N ALA A 36 -1.006 -10.067 -4.594 1.00 0.00 N ATOM 557 CA ALA A 36 -1.322 -8.656 -4.759 1.00 0.00 C ATOM 558 C ALA A 36 -1.570 -8.314 -6.230 1.00 0.00 C ATOM 559 O ALA A 36 -2.567 -7.680 -6.573 1.00 0.00 O ATOM 560 CB ALA A 36 -0.190 -7.809 -4.210 1.00 0.00 C ATOM 0 H ALA A 36 -0.077 -10.248 -4.213 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.236 -8.442 -4.205 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.431 -6.754 -4.336 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.054 -8.026 -3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.730 -8.038 -4.748 1.00 0.00 H new ATOM 566 N ARG A 37 -0.667 -8.775 -7.091 1.00 0.00 N ATOM 567 CA ARG A 37 -0.685 -8.440 -8.513 1.00 0.00 C ATOM 568 C ARG A 37 -1.920 -8.997 -9.215 1.00 0.00 C ATOM 569 O ARG A 37 -2.445 -8.379 -10.141 1.00 0.00 O ATOM 570 CB ARG A 37 0.588 -8.970 -9.180 1.00 0.00 C ATOM 571 CG ARG A 37 1.834 -8.177 -8.810 1.00 0.00 C ATOM 572 CD ARG A 37 3.105 -8.825 -9.338 1.00 0.00 C ATOM 573 NE ARG A 37 3.169 -8.829 -10.801 1.00 0.00 N ATOM 574 CZ ARG A 37 4.312 -8.834 -11.488 1.00 0.00 C ATOM 575 NH1 ARG A 37 5.475 -8.830 -10.847 1.00 0.00 N ATOM 576 NH2 ARG A 37 4.294 -8.851 -12.816 1.00 0.00 N ATOM 0 H ARG A 37 0.099 -9.392 -6.823 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.724 -7.354 -8.603 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.732 -10.013 -8.897 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.459 -8.948 -10.262 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.751 -7.166 -9.209 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.897 -8.088 -7.725 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.971 -8.294 -8.942 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.165 -9.850 -8.973 1.00 0.00 H new ATOM 0 HE ARG A 37 2.292 -8.828 -11.322 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.495 -8.823 -9.827 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.348 -8.834 -11.374 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.404 -8.860 -13.314 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.170 -8.855 -13.338 1.00 0.00 H new ATOM 590 N THR A 38 -2.385 -10.154 -8.769 1.00 0.00 N ATOM 591 CA THR A 38 -3.561 -10.776 -9.359 1.00 0.00 C ATOM 592 C THR A 38 -4.803 -9.922 -9.108 1.00 0.00 C ATOM 593 O THR A 38 -5.621 -9.731 -10.004 1.00 0.00 O ATOM 594 CB THR A 38 -3.781 -12.198 -8.807 1.00 0.00 C ATOM 595 OG1 THR A 38 -2.644 -13.013 -9.112 1.00 0.00 O ATOM 596 CG2 THR A 38 -5.035 -12.837 -9.387 1.00 0.00 C ATOM 0 H THR A 38 -1.967 -10.681 -8.002 1.00 0.00 H new ATOM 0 HA THR A 38 -3.390 -10.850 -10.433 1.00 0.00 H new ATOM 0 HB THR A 38 -3.909 -12.123 -7.727 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.033 -13.021 -8.346 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.157 -13.839 -8.975 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.904 -12.231 -9.131 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.943 -12.900 -10.471 1.00 0.00 H new ATOM 604 N ILE A 39 -4.921 -9.390 -7.898 1.00 0.00 N ATOM 605 CA ILE A 39 -6.049 -8.534 -7.551 1.00 0.00 C ATOM 606 C ILE A 39 -5.905 -7.172 -8.233 1.00 0.00 C ATOM 607 O ILE A 39 -6.887 -6.584 -8.691 1.00 0.00 O ATOM 608 CB ILE A 39 -6.164 -8.349 -6.020 1.00 0.00 C ATOM 609 CG1 ILE A 39 -6.266 -9.715 -5.334 1.00 0.00 C ATOM 610 CG2 ILE A 39 -7.371 -7.488 -5.674 1.00 0.00 C ATOM 611 CD1 ILE A 39 -6.301 -9.643 -3.821 1.00 0.00 C ATOM 0 H ILE A 39 -4.252 -9.535 -7.142 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.960 -9.019 -7.902 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.269 -7.841 -5.661 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.166 -10.220 -5.685 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.418 -10.328 -5.639 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.435 -7.369 -4.592 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.265 -6.509 -6.141 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.278 -7.969 -6.041 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.374 -10.650 -3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.389 -9.168 -3.458 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.165 -9.059 -3.504 1.00 0.00 H new ATOM 623 N LEU A 40 -4.667 -6.700 -8.320 1.00 0.00 N ATOM 624 CA LEU A 40 -4.358 -5.426 -8.961 1.00 0.00 C ATOM 625 C LEU A 40 -4.770 -5.420 -10.435 1.00 0.00 C ATOM 626 O LEU A 40 -5.358 -4.452 -10.921 1.00 0.00 O ATOM 627 CB LEU A 40 -2.859 -5.135 -8.837 1.00 0.00 C ATOM 628 CG LEU A 40 -2.380 -4.759 -7.430 1.00 0.00 C ATOM 629 CD1 LEU A 40 -0.876 -4.535 -7.421 1.00 0.00 C ATOM 630 CD2 LEU A 40 -3.102 -3.517 -6.931 1.00 0.00 C ATOM 0 H LEU A 40 -3.851 -7.187 -7.950 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.928 -4.648 -8.454 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.306 -6.014 -9.169 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.605 -4.323 -9.519 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.612 -5.586 -6.759 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.554 -4.269 -6.414 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.370 -5.448 -7.734 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.624 -3.727 -8.108 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.748 -3.267 -5.931 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.902 -2.684 -7.605 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.175 -3.708 -6.899 1.00 0.00 H new ATOM 642 N MET A 41 -4.479 -6.511 -11.138 1.00 0.00 N ATOM 643 CA MET A 41 -4.731 -6.582 -12.576 1.00 0.00 C ATOM 644 C MET A 41 -6.223 -6.714 -12.884 1.00 0.00 C ATOM 645 O MET A 41 -6.650 -6.460 -14.012 1.00 0.00 O ATOM 646 CB MET A 41 -3.934 -7.732 -13.218 1.00 0.00 C ATOM 647 CG MET A 41 -4.410 -9.132 -12.847 1.00 0.00 C ATOM 648 SD MET A 41 -5.828 -9.680 -13.825 1.00 0.00 S ATOM 649 CE MET A 41 -6.135 -11.292 -13.105 1.00 0.00 C ATOM 0 H MET A 41 -4.070 -7.356 -10.738 1.00 0.00 H new ATOM 0 HA MET A 41 -4.390 -5.644 -13.013 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.979 -7.625 -14.302 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.887 -7.633 -12.931 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.589 -9.836 -12.982 1.00 0.00 H new ATOM 0 HG3 MET A 41 -4.676 -9.151 -11.790 1.00 0.00 H new ATOM 0 HE1 MET A 41 -6.984 -11.758 -13.605 1.00 0.00 H new ATOM 0 HE2 MET A 41 -5.252 -11.920 -13.228 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.355 -11.180 -12.043 1.00 0.00 H new ATOM 659 N GLN A 42 -7.015 -7.099 -11.880 1.00 0.00 N ATOM 660 CA GLN A 42 -8.459 -7.284 -12.064 1.00 0.00 C ATOM 661 C GLN A 42 -9.147 -5.974 -12.443 1.00 0.00 C ATOM 662 O GLN A 42 -10.276 -5.973 -12.932 1.00 0.00 O ATOM 663 CB GLN A 42 -9.106 -7.850 -10.796 1.00 0.00 C ATOM 664 CG GLN A 42 -8.613 -9.237 -10.417 1.00 0.00 C ATOM 665 CD GLN A 42 -9.336 -9.806 -9.210 1.00 0.00 C ATOM 666 OE1 GLN A 42 -9.796 -9.072 -8.336 1.00 0.00 O ATOM 667 NE2 GLN A 42 -9.431 -11.126 -9.145 1.00 0.00 N ATOM 0 H GLN A 42 -6.683 -7.288 -10.934 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.588 -7.995 -12.880 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.914 -7.168 -9.967 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.186 -7.885 -10.936 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.745 -9.909 -11.265 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.544 -9.194 -10.208 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.038 -11.703 -9.889 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.898 -11.565 -8.351 1.00 0.00 H new ATOM 676 N SER A 43 -8.459 -4.860 -12.228 1.00 0.00 N ATOM 677 CA SER A 43 -8.999 -3.552 -12.565 1.00 0.00 C ATOM 678 C SER A 43 -8.945 -3.311 -14.076 1.00 0.00 C ATOM 679 O SER A 43 -9.446 -2.296 -14.567 1.00 0.00 O ATOM 680 CB SER A 43 -8.230 -2.453 -11.826 1.00 0.00 C ATOM 681 OG SER A 43 -8.788 -1.178 -12.086 1.00 0.00 O ATOM 0 H SER A 43 -7.524 -4.838 -11.821 1.00 0.00 H new ATOM 0 HA SER A 43 -10.043 -3.524 -12.252 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.248 -2.650 -10.754 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.185 -2.466 -12.135 1.00 0.00 H new ATOM 0 HG SER A 43 -9.200 -1.176 -12.975 1.00 0.00 H new ATOM 687 N SER A 44 -8.313 -4.241 -14.801 1.00 0.00 N ATOM 688 CA SER A 44 -8.231 -4.190 -16.263 1.00 0.00 C ATOM 689 C SER A 44 -7.392 -3.002 -16.741 1.00 0.00 C ATOM 690 O SER A 44 -7.419 -2.642 -17.918 1.00 0.00 O ATOM 691 CB SER A 44 -9.639 -4.133 -16.871 1.00 0.00 C ATOM 692 OG SER A 44 -10.431 -5.226 -16.425 1.00 0.00 O ATOM 0 H SER A 44 -7.845 -5.049 -14.390 1.00 0.00 H new ATOM 0 HA SER A 44 -7.734 -5.099 -16.601 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.120 -3.194 -16.596 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.570 -4.149 -17.959 1.00 0.00 H new ATOM 0 HG SER A 44 -11.324 -5.167 -16.824 1.00 0.00 H new ATOM 698 N LEU A 45 -6.627 -2.416 -15.827 1.00 0.00 N ATOM 699 CA LEU A 45 -5.787 -1.272 -16.150 1.00 0.00 C ATOM 700 C LEU A 45 -4.482 -1.732 -16.793 1.00 0.00 C ATOM 701 O LEU A 45 -4.019 -2.845 -16.535 1.00 0.00 O ATOM 702 CB LEU A 45 -5.489 -0.457 -14.885 1.00 0.00 C ATOM 703 CG LEU A 45 -6.707 0.182 -14.214 1.00 0.00 C ATOM 704 CD1 LEU A 45 -6.296 0.881 -12.927 1.00 0.00 C ATOM 705 CD2 LEU A 45 -7.388 1.159 -15.162 1.00 0.00 C ATOM 0 H LEU A 45 -6.572 -2.717 -14.854 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.323 -0.641 -16.859 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.996 -1.107 -14.162 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.780 0.331 -15.140 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.419 -0.605 -13.966 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.173 1.331 -12.461 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.854 0.155 -12.244 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.566 1.658 -13.152 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.252 1.603 -14.668 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.686 1.944 -15.441 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.715 0.630 -16.057 1.00 0.00 H new ATOM 717 N PRO A 46 -3.889 -0.888 -17.656 1.00 0.00 N ATOM 718 CA PRO A 46 -2.598 -1.174 -18.290 1.00 0.00 C ATOM 719 C PRO A 46 -1.538 -1.572 -17.266 1.00 0.00 C ATOM 720 O PRO A 46 -1.409 -0.938 -16.215 1.00 0.00 O ATOM 721 CB PRO A 46 -2.227 0.154 -18.951 1.00 0.00 C ATOM 722 CG PRO A 46 -3.528 0.827 -19.208 1.00 0.00 C ATOM 723 CD PRO A 46 -4.441 0.409 -18.087 1.00 0.00 C ATOM 0 HA PRO A 46 -2.657 -2.009 -18.988 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.592 0.756 -18.301 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -1.675 -0.006 -19.877 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.409 1.910 -19.231 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -3.936 0.531 -20.174 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.438 1.136 -17.275 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.473 0.313 -18.425 1.00 0.00 H new ATOM 731 N GLN A 47 -0.772 -2.612 -17.581 1.00 0.00 N ATOM 732 CA GLN A 47 0.217 -3.147 -16.643 1.00 0.00 C ATOM 733 C GLN A 47 1.343 -2.151 -16.367 1.00 0.00 C ATOM 734 O GLN A 47 2.071 -2.284 -15.382 1.00 0.00 O ATOM 735 CB GLN A 47 0.759 -4.513 -17.119 1.00 0.00 C ATOM 736 CG GLN A 47 1.101 -4.610 -18.605 1.00 0.00 C ATOM 737 CD GLN A 47 2.432 -3.973 -18.970 1.00 0.00 C ATOM 738 OE1 GLN A 47 2.497 -2.800 -19.324 1.00 0.00 O ATOM 739 NE2 GLN A 47 3.500 -4.751 -18.894 1.00 0.00 N ATOM 0 H GLN A 47 -0.814 -3.102 -18.475 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.292 -3.311 -15.693 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.654 -4.748 -16.543 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.019 -5.278 -16.885 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.119 -5.660 -18.897 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.310 -4.132 -19.183 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.404 -5.721 -18.595 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.419 -4.380 -19.134 1.00 0.00 H new ATOM 748 N ALA A 48 1.463 -1.137 -17.215 1.00 0.00 N ATOM 749 CA ALA A 48 2.399 -0.050 -16.967 1.00 0.00 C ATOM 750 C ALA A 48 1.963 0.741 -15.740 1.00 0.00 C ATOM 751 O ALA A 48 2.775 1.079 -14.882 1.00 0.00 O ATOM 752 CB ALA A 48 2.496 0.861 -18.181 1.00 0.00 C ATOM 0 H ALA A 48 0.926 -1.046 -18.077 1.00 0.00 H new ATOM 0 HA ALA A 48 3.386 -0.474 -16.781 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.200 1.667 -17.976 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.842 0.287 -19.040 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.515 1.283 -18.398 1.00 0.00 H new ATOM 758 N GLN A 49 0.663 1.006 -15.651 1.00 0.00 N ATOM 759 CA GLN A 49 0.102 1.729 -14.520 1.00 0.00 C ATOM 760 C GLN A 49 0.095 0.849 -13.281 1.00 0.00 C ATOM 761 O GLN A 49 0.249 1.335 -12.163 1.00 0.00 O ATOM 762 CB GLN A 49 -1.322 2.194 -14.833 1.00 0.00 C ATOM 763 CG GLN A 49 -1.409 3.159 -16.004 1.00 0.00 C ATOM 764 CD GLN A 49 -0.568 4.401 -15.797 1.00 0.00 C ATOM 765 OE1 GLN A 49 0.603 4.438 -16.171 1.00 0.00 O ATOM 766 NE2 GLN A 49 -1.154 5.427 -15.202 1.00 0.00 N ATOM 0 H GLN A 49 -0.022 0.728 -16.353 1.00 0.00 H new ATOM 0 HA GLN A 49 0.724 2.604 -14.331 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.940 1.322 -15.046 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.741 2.673 -13.948 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.085 2.652 -16.913 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.449 3.449 -16.155 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.128 5.357 -14.906 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.632 6.288 -15.039 1.00 0.00 H new ATOM 775 N LEU A 50 -0.082 -0.451 -13.492 1.00 0.00 N ATOM 776 CA LEU A 50 -0.064 -1.415 -12.407 1.00 0.00 C ATOM 777 C LEU A 50 1.296 -1.410 -11.714 1.00 0.00 C ATOM 778 O LEU A 50 1.377 -1.408 -10.486 1.00 0.00 O ATOM 779 CB LEU A 50 -0.395 -2.808 -12.947 1.00 0.00 C ATOM 780 CG LEU A 50 -1.793 -2.954 -13.554 1.00 0.00 C ATOM 781 CD1 LEU A 50 -2.004 -4.368 -14.066 1.00 0.00 C ATOM 782 CD2 LEU A 50 -2.861 -2.595 -12.532 1.00 0.00 C ATOM 0 H LEU A 50 -0.240 -0.860 -14.413 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.818 -1.138 -11.671 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.343 -3.072 -13.705 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.291 -3.529 -12.136 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.876 -2.265 -14.394 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.003 -4.455 -14.494 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.260 -4.593 -14.831 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.901 -5.073 -13.241 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.847 -2.705 -12.983 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.779 -3.259 -11.671 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.723 -1.563 -12.209 1.00 0.00 H new ATOM 794 N ALA A 51 2.363 -1.383 -12.507 1.00 0.00 N ATOM 795 CA ALA A 51 3.708 -1.294 -11.958 1.00 0.00 C ATOM 796 C ALA A 51 3.904 0.037 -11.243 1.00 0.00 C ATOM 797 O ALA A 51 4.549 0.097 -10.196 1.00 0.00 O ATOM 798 CB ALA A 51 4.749 -1.460 -13.051 1.00 0.00 C ATOM 0 H ALA A 51 2.321 -1.421 -13.525 1.00 0.00 H new ATOM 0 HA ALA A 51 3.834 -2.102 -11.237 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.746 -1.390 -12.617 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.627 -2.434 -13.525 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.622 -0.675 -13.797 1.00 0.00 H new ATOM 804 N SER A 52 3.335 1.096 -11.814 1.00 0.00 N ATOM 805 CA SER A 52 3.400 2.419 -11.215 1.00 0.00 C ATOM 806 C SER A 52 2.742 2.421 -9.833 1.00 0.00 C ATOM 807 O SER A 52 3.331 2.886 -8.861 1.00 0.00 O ATOM 808 CB SER A 52 2.720 3.438 -12.135 1.00 0.00 C ATOM 809 OG SER A 52 3.378 3.516 -13.389 1.00 0.00 O ATOM 0 H SER A 52 2.822 1.059 -12.695 1.00 0.00 H new ATOM 0 HA SER A 52 4.447 2.697 -11.090 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.678 3.157 -12.285 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.721 4.419 -11.659 1.00 0.00 H new ATOM 0 HG SER A 52 3.178 2.713 -13.914 1.00 0.00 H new ATOM 815 N ILE A 53 1.534 1.874 -9.753 1.00 0.00 N ATOM 816 CA ILE A 53 0.804 1.791 -8.490 1.00 0.00 C ATOM 817 C ILE A 53 1.573 0.955 -7.471 1.00 0.00 C ATOM 818 O ILE A 53 1.679 1.328 -6.300 1.00 0.00 O ATOM 819 CB ILE A 53 -0.607 1.197 -8.704 1.00 0.00 C ATOM 820 CG1 ILE A 53 -1.440 2.132 -9.585 1.00 0.00 C ATOM 821 CG2 ILE A 53 -1.303 0.950 -7.370 1.00 0.00 C ATOM 822 CD1 ILE A 53 -2.782 1.560 -9.988 1.00 0.00 C ATOM 0 H ILE A 53 1.036 1.479 -10.551 1.00 0.00 H new ATOM 0 HA ILE A 53 0.699 2.804 -8.102 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.506 0.236 -9.209 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.601 3.070 -9.053 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.872 2.369 -10.485 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.294 0.532 -7.548 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.715 0.249 -6.777 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.398 1.892 -6.830 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.313 2.281 -10.610 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.631 0.638 -10.549 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.371 1.349 -9.095 1.00 0.00 H new ATOM 834 N TRP A 54 2.126 -0.162 -7.926 1.00 0.00 N ATOM 835 CA TRP A 54 2.962 -1.002 -7.077 1.00 0.00 C ATOM 836 C TRP A 54 4.130 -0.190 -6.532 1.00 0.00 C ATOM 837 O TRP A 54 4.374 -0.160 -5.329 1.00 0.00 O ATOM 838 CB TRP A 54 3.495 -2.204 -7.868 1.00 0.00 C ATOM 839 CG TRP A 54 4.354 -3.130 -7.053 1.00 0.00 C ATOM 840 CD1 TRP A 54 5.697 -3.014 -6.813 1.00 0.00 C ATOM 841 CD2 TRP A 54 3.930 -4.322 -6.379 1.00 0.00 C ATOM 842 NE1 TRP A 54 6.128 -4.050 -6.020 1.00 0.00 N ATOM 843 CE2 TRP A 54 5.062 -4.867 -5.742 1.00 0.00 C ATOM 844 CE3 TRP A 54 2.701 -4.978 -6.248 1.00 0.00 C ATOM 845 CZ2 TRP A 54 5.000 -6.036 -4.988 1.00 0.00 C ATOM 846 CZ3 TRP A 54 2.643 -6.139 -5.499 1.00 0.00 C ATOM 847 CH2 TRP A 54 3.785 -6.657 -4.877 1.00 0.00 C ATOM 0 H TRP A 54 2.011 -0.508 -8.879 1.00 0.00 H new ATOM 0 HA TRP A 54 2.356 -1.367 -6.248 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.652 -2.765 -8.271 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.072 -1.841 -8.718 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.327 -2.223 -7.192 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.084 -4.189 -5.692 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.814 -4.585 -6.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 5.880 -6.439 -4.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.700 -6.655 -5.392 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.706 -7.565 -4.298 1.00 0.00 H new ATOM 858 N ASN A 55 4.827 0.490 -7.434 1.00 0.00 N ATOM 859 CA ASN A 55 6.007 1.268 -7.079 1.00 0.00 C ATOM 860 C ASN A 55 5.652 2.413 -6.130 1.00 0.00 C ATOM 861 O ASN A 55 6.460 2.800 -5.285 1.00 0.00 O ATOM 862 CB ASN A 55 6.663 1.826 -8.346 1.00 0.00 C ATOM 863 CG ASN A 55 8.017 2.464 -8.086 1.00 0.00 C ATOM 864 OD1 ASN A 55 8.777 1.900 -7.158 1.00 0.00 O flip ATOM 865 ND2 ASN A 55 8.383 3.447 -8.730 1.00 0.00 N flip ATOM 0 H ASN A 55 4.592 0.518 -8.426 1.00 0.00 H new ATOM 0 HA ASN A 55 6.706 0.608 -6.566 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.781 1.021 -9.071 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.000 2.565 -8.795 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.768 3.852 -9.436 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.301 3.857 -8.558 1.00 0.00 H new ATOM 872 N LEU A 56 4.445 2.949 -6.278 1.00 0.00 N ATOM 873 CA LEU A 56 3.977 4.047 -5.440 1.00 0.00 C ATOM 874 C LEU A 56 3.721 3.586 -4.005 1.00 0.00 C ATOM 875 O LEU A 56 3.977 4.324 -3.056 1.00 0.00 O ATOM 876 CB LEU A 56 2.697 4.654 -6.029 1.00 0.00 C ATOM 877 CG LEU A 56 2.883 5.462 -7.314 1.00 0.00 C ATOM 878 CD1 LEU A 56 1.542 5.955 -7.830 1.00 0.00 C ATOM 879 CD2 LEU A 56 3.824 6.635 -7.077 1.00 0.00 C ATOM 0 H LEU A 56 3.769 2.638 -6.976 1.00 0.00 H new ATOM 0 HA LEU A 56 4.760 4.805 -5.417 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.991 3.848 -6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.242 5.299 -5.277 1.00 0.00 H new ATOM 0 HG LEU A 56 3.327 4.811 -8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.693 6.528 -8.745 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.896 5.102 -8.038 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.073 6.589 -7.077 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.944 7.198 -8.003 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.408 7.286 -6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.795 6.262 -6.751 1.00 0.00 H new ATOM 891 N SER A 57 3.228 2.363 -3.853 1.00 0.00 N ATOM 892 CA SER A 57 2.864 1.850 -2.540 1.00 0.00 C ATOM 893 C SER A 57 4.007 1.051 -1.912 1.00 0.00 C ATOM 894 O SER A 57 4.040 0.859 -0.698 1.00 0.00 O ATOM 895 CB SER A 57 1.612 0.978 -2.650 1.00 0.00 C ATOM 896 OG SER A 57 1.193 0.523 -1.377 1.00 0.00 O ATOM 0 H SER A 57 3.072 1.710 -4.621 1.00 0.00 H new ATOM 0 HA SER A 57 2.658 2.702 -1.892 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.809 1.547 -3.118 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.816 0.124 -3.296 1.00 0.00 H new ATOM 0 HG SER A 57 0.305 0.115 -1.451 1.00 0.00 H new ATOM 902 N ASP A 58 4.929 0.581 -2.743 1.00 0.00 N ATOM 903 CA ASP A 58 6.043 -0.239 -2.276 1.00 0.00 C ATOM 904 C ASP A 58 6.971 0.551 -1.360 1.00 0.00 C ATOM 905 O ASP A 58 7.472 1.620 -1.729 1.00 0.00 O ATOM 906 CB ASP A 58 6.833 -0.790 -3.467 1.00 0.00 C ATOM 907 CG ASP A 58 8.078 -1.551 -3.049 1.00 0.00 C ATOM 908 OD1 ASP A 58 7.982 -2.770 -2.800 1.00 0.00 O ATOM 909 OD2 ASP A 58 9.161 -0.934 -2.980 1.00 0.00 O ATOM 0 H ASP A 58 4.928 0.754 -3.748 1.00 0.00 H new ATOM 0 HA ASP A 58 5.627 -1.068 -1.704 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.189 -1.449 -4.050 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.119 0.035 -4.119 1.00 0.00 H new ATOM 914 N ILE A 59 7.176 0.038 -0.159 1.00 0.00 N ATOM 915 CA ILE A 59 8.144 0.615 0.755 1.00 0.00 C ATOM 916 C ILE A 59 9.527 0.041 0.464 1.00 0.00 C ATOM 917 O ILE A 59 10.469 0.772 0.146 1.00 0.00 O ATOM 918 CB ILE A 59 7.757 0.347 2.229 1.00 0.00 C ATOM 919 CG1 ILE A 59 6.367 0.919 2.532 1.00 0.00 C ATOM 920 CG2 ILE A 59 8.792 0.931 3.181 1.00 0.00 C ATOM 921 CD1 ILE A 59 6.258 2.415 2.316 1.00 0.00 C ATOM 0 H ILE A 59 6.684 -0.778 0.205 1.00 0.00 H new ATOM 0 HA ILE A 59 8.156 1.695 0.605 1.00 0.00 H new ATOM 0 HB ILE A 59 7.730 -0.732 2.380 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.633 0.416 1.902 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.109 0.691 3.566 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.495 0.728 4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.763 0.475 2.987 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.860 2.008 3.029 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.246 2.744 2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.967 2.929 2.966 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.483 2.650 1.276 1.00 0.00 H new ATOM 933 N ASP A 60 9.622 -1.274 0.569 1.00 0.00 N ATOM 934 CA ASP A 60 10.828 -2.016 0.221 1.00 0.00 C ATOM 935 C ASP A 60 10.459 -3.489 0.125 1.00 0.00 C ATOM 936 O ASP A 60 11.199 -4.378 0.541 1.00 0.00 O ATOM 937 CB ASP A 60 11.936 -1.799 1.266 1.00 0.00 C ATOM 938 CG ASP A 60 13.261 -2.403 0.834 1.00 0.00 C ATOM 939 OD1 ASP A 60 13.860 -1.895 -0.140 1.00 0.00 O ATOM 940 OD2 ASP A 60 13.713 -3.380 1.467 1.00 0.00 O ATOM 0 H ASP A 60 8.859 -1.864 0.901 1.00 0.00 H new ATOM 0 HA ASP A 60 11.218 -1.661 -0.733 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.065 -0.731 1.439 1.00 0.00 H new ATOM 0 HB3 ASP A 60 11.630 -2.241 2.214 1.00 0.00 H new ATOM 945 N GLN A 61 9.291 -3.740 -0.436 1.00 0.00 N ATOM 946 CA GLN A 61 8.743 -5.081 -0.473 1.00 0.00 C ATOM 947 C GLN A 61 9.242 -5.841 -1.689 1.00 0.00 C ATOM 948 O GLN A 61 9.708 -6.974 -1.568 1.00 0.00 O ATOM 949 CB GLN A 61 7.224 -5.016 -0.478 1.00 0.00 C ATOM 950 CG GLN A 61 6.651 -4.303 0.734 1.00 0.00 C ATOM 951 CD GLN A 61 6.888 -5.048 2.035 1.00 0.00 C ATOM 952 OE1 GLN A 61 7.864 -5.784 2.189 1.00 0.00 O ATOM 953 NE2 GLN A 61 5.994 -4.859 2.989 1.00 0.00 N ATOM 0 H GLN A 61 8.703 -3.030 -0.873 1.00 0.00 H new ATOM 0 HA GLN A 61 9.077 -5.615 0.417 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.892 -4.506 -1.382 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.824 -6.029 -0.518 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.094 -3.310 0.806 1.00 0.00 H new ATOM 0 HG3 GLN A 61 5.579 -4.164 0.593 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.198 -4.242 2.827 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.100 -5.330 3.888 1.00 0.00 H new ATOM 962 N ASP A 62 9.097 -5.210 -2.852 1.00 0.00 N ATOM 963 CA ASP A 62 9.571 -5.735 -4.134 1.00 0.00 C ATOM 964 C ASP A 62 8.660 -6.847 -4.636 1.00 0.00 C ATOM 965 O ASP A 62 8.423 -6.980 -5.835 1.00 0.00 O ATOM 966 CB ASP A 62 11.023 -6.227 -4.041 1.00 0.00 C ATOM 967 CG ASP A 62 11.522 -6.832 -5.340 1.00 0.00 C ATOM 968 OD1 ASP A 62 11.907 -6.068 -6.250 1.00 0.00 O ATOM 969 OD2 ASP A 62 11.533 -8.077 -5.454 1.00 0.00 O ATOM 0 H ASP A 62 8.638 -4.302 -2.933 1.00 0.00 H new ATOM 0 HA ASP A 62 9.543 -4.915 -4.852 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.667 -5.393 -3.762 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.100 -6.969 -3.246 1.00 0.00 H new ATOM 974 N GLY A 63 8.141 -7.633 -3.711 1.00 0.00 N ATOM 975 CA GLY A 63 7.231 -8.689 -4.064 1.00 0.00 C ATOM 976 C GLY A 63 6.313 -9.061 -2.921 1.00 0.00 C ATOM 977 O GLY A 63 5.969 -10.228 -2.747 1.00 0.00 O ATOM 0 H GLY A 63 8.338 -7.555 -2.713 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.633 -8.379 -4.921 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.799 -9.567 -4.372 1.00 0.00 H new ATOM 981 N LYS A 64 5.932 -8.064 -2.131 1.00 0.00 N ATOM 982 CA LYS A 64 5.030 -8.265 -1.005 1.00 0.00 C ATOM 983 C LYS A 64 4.154 -7.030 -0.826 1.00 0.00 C ATOM 984 O LYS A 64 4.479 -5.965 -1.337 1.00 0.00 O ATOM 985 CB LYS A 64 5.815 -8.514 0.290 1.00 0.00 C ATOM 986 CG LYS A 64 6.708 -9.744 0.262 1.00 0.00 C ATOM 987 CD LYS A 64 7.512 -9.887 1.550 1.00 0.00 C ATOM 988 CE LYS A 64 8.568 -8.798 1.692 1.00 0.00 C ATOM 989 NZ LYS A 64 9.660 -8.937 0.690 1.00 0.00 N ATOM 0 H LYS A 64 6.238 -7.099 -2.252 1.00 0.00 H new ATOM 0 HA LYS A 64 4.412 -9.138 -1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.430 -7.639 0.500 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.109 -8.613 1.114 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.097 -10.634 0.114 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.389 -9.680 -0.587 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.836 -9.849 2.404 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.995 -10.864 1.568 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.097 -7.821 1.580 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.992 -8.834 2.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.581 -8.842 1.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.599 -9.871 0.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.565 -8.195 -0.033 1.00 0.00 H new ATOM 1003 N LEU A 65 3.044 -7.192 -0.116 1.00 0.00 N ATOM 1004 CA LEU A 65 2.179 -6.073 0.260 1.00 0.00 C ATOM 1005 C LEU A 65 1.449 -6.398 1.552 1.00 0.00 C ATOM 1006 O LEU A 65 0.661 -7.343 1.604 1.00 0.00 O ATOM 1007 CB LEU A 65 1.150 -5.752 -0.840 1.00 0.00 C ATOM 1008 CG LEU A 65 1.653 -4.863 -1.986 1.00 0.00 C ATOM 1009 CD1 LEU A 65 0.504 -4.481 -2.906 1.00 0.00 C ATOM 1010 CD2 LEU A 65 2.328 -3.613 -1.445 1.00 0.00 C ATOM 0 H LEU A 65 2.716 -8.099 0.216 1.00 0.00 H new ATOM 0 HA LEU A 65 2.813 -5.197 0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.794 -6.691 -1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.292 -5.265 -0.377 1.00 0.00 H new ATOM 0 HG LEU A 65 2.387 -5.431 -2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.878 -3.851 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.059 -5.383 -3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.250 -3.935 -2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.676 -2.999 -2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.616 -3.045 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.177 -3.898 -0.824 1.00 0.00 H new ATOM 1022 N THR A 66 1.726 -5.637 2.599 1.00 0.00 N ATOM 1023 CA THR A 66 1.027 -5.812 3.860 1.00 0.00 C ATOM 1024 C THR A 66 -0.369 -5.206 3.764 1.00 0.00 C ATOM 1025 O THR A 66 -0.715 -4.604 2.746 1.00 0.00 O ATOM 1026 CB THR A 66 1.794 -5.176 5.041 1.00 0.00 C ATOM 1027 OG1 THR A 66 2.002 -3.780 4.803 1.00 0.00 O ATOM 1028 CG2 THR A 66 3.136 -5.862 5.256 1.00 0.00 C ATOM 0 H THR A 66 2.427 -4.896 2.600 1.00 0.00 H new ATOM 0 HA THR A 66 0.955 -6.883 4.052 1.00 0.00 H new ATOM 0 HB THR A 66 1.190 -5.305 5.939 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.845 -3.653 4.320 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.654 -5.394 6.093 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.974 -6.918 5.474 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.742 -5.766 4.355 1.00 0.00 H new ATOM 1036 N ALA A 67 -1.162 -5.362 4.816 1.00 0.00 N ATOM 1037 CA ALA A 67 -2.546 -4.901 4.804 1.00 0.00 C ATOM 1038 C ALA A 67 -2.641 -3.423 4.451 1.00 0.00 C ATOM 1039 O ALA A 67 -3.368 -3.037 3.537 1.00 0.00 O ATOM 1040 CB ALA A 67 -3.207 -5.163 6.151 1.00 0.00 C ATOM 0 H ALA A 67 -0.872 -5.804 5.688 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.073 -5.464 4.034 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.239 -4.813 6.124 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.192 -6.232 6.362 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.664 -4.632 6.932 1.00 0.00 H new ATOM 1046 N GLU A 68 -1.875 -2.608 5.160 1.00 0.00 N ATOM 1047 CA GLU A 68 -1.920 -1.163 4.992 1.00 0.00 C ATOM 1048 C GLU A 68 -1.377 -0.734 3.624 1.00 0.00 C ATOM 1049 O GLU A 68 -1.813 0.274 3.068 1.00 0.00 O ATOM 1050 CB GLU A 68 -1.150 -0.501 6.134 1.00 0.00 C ATOM 1051 CG GLU A 68 -1.780 -0.775 7.495 1.00 0.00 C ATOM 1052 CD GLU A 68 -0.825 -0.577 8.652 1.00 0.00 C ATOM 1053 OE1 GLU A 68 0.051 -1.446 8.855 1.00 0.00 O ATOM 1054 OE2 GLU A 68 -0.965 0.426 9.384 1.00 0.00 O ATOM 0 H GLU A 68 -1.209 -2.926 5.864 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.959 -0.836 5.027 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.122 -0.863 6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.109 0.575 5.965 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.640 -0.119 7.627 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.154 -1.799 7.514 1.00 0.00 H new ATOM 1061 N GLU A 69 -0.446 -1.505 3.072 1.00 0.00 N ATOM 1062 CA GLU A 69 0.101 -1.198 1.757 1.00 0.00 C ATOM 1063 C GLU A 69 -0.918 -1.547 0.675 1.00 0.00 C ATOM 1064 O GLU A 69 -1.144 -0.779 -0.261 1.00 0.00 O ATOM 1065 CB GLU A 69 1.401 -1.966 1.526 1.00 0.00 C ATOM 1066 CG GLU A 69 2.514 -1.590 2.493 1.00 0.00 C ATOM 1067 CD GLU A 69 3.719 -2.498 2.377 1.00 0.00 C ATOM 1068 OE1 GLU A 69 3.590 -3.695 2.717 1.00 0.00 O ATOM 1069 OE2 GLU A 69 4.790 -2.027 1.956 1.00 0.00 O ATOM 0 H GLU A 69 -0.058 -2.340 3.511 1.00 0.00 H new ATOM 0 HA GLU A 69 0.318 -0.131 1.709 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.202 -3.034 1.613 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.742 -1.787 0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.820 -0.561 2.306 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.132 -1.628 3.513 1.00 0.00 H new ATOM 1076 N PHE A 70 -1.539 -2.711 0.831 1.00 0.00 N ATOM 1077 CA PHE A 70 -2.547 -3.187 -0.107 1.00 0.00 C ATOM 1078 C PHE A 70 -3.700 -2.192 -0.211 1.00 0.00 C ATOM 1079 O PHE A 70 -4.186 -1.911 -1.307 1.00 0.00 O ATOM 1080 CB PHE A 70 -3.058 -4.564 0.335 1.00 0.00 C ATOM 1081 CG PHE A 70 -4.048 -5.189 -0.603 1.00 0.00 C ATOM 1082 CD1 PHE A 70 -3.628 -5.791 -1.780 1.00 0.00 C ATOM 1083 CD2 PHE A 70 -5.398 -5.186 -0.301 1.00 0.00 C ATOM 1084 CE1 PHE A 70 -4.540 -6.379 -2.634 1.00 0.00 C ATOM 1085 CE2 PHE A 70 -6.313 -5.768 -1.153 1.00 0.00 C ATOM 1086 CZ PHE A 70 -5.886 -6.366 -2.320 1.00 0.00 C ATOM 0 H PHE A 70 -1.359 -3.348 1.607 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.094 -3.279 -1.094 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.207 -5.236 0.445 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.518 -4.469 1.318 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.578 -5.800 -2.031 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.739 -4.722 0.613 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.202 -6.848 -3.546 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.364 -5.755 -0.906 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.602 -6.823 -2.987 1.00 0.00 H new ATOM 1096 N ILE A 71 -4.121 -1.653 0.929 1.00 0.00 N ATOM 1097 CA ILE A 71 -5.189 -0.659 0.961 1.00 0.00 C ATOM 1098 C ILE A 71 -4.809 0.575 0.142 1.00 0.00 C ATOM 1099 O ILE A 71 -5.618 1.092 -0.634 1.00 0.00 O ATOM 1100 CB ILE A 71 -5.517 -0.230 2.410 1.00 0.00 C ATOM 1101 CG1 ILE A 71 -5.948 -1.441 3.240 1.00 0.00 C ATOM 1102 CG2 ILE A 71 -6.607 0.834 2.420 1.00 0.00 C ATOM 1103 CD1 ILE A 71 -6.187 -1.125 4.701 1.00 0.00 C ATOM 0 H ILE A 71 -3.738 -1.888 1.845 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.073 -1.123 0.524 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.617 0.195 2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.861 -1.856 2.813 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.182 -2.213 3.165 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.824 1.123 3.448 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.269 1.707 1.861 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.510 0.435 1.957 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.489 -2.032 5.225 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.269 -0.739 5.145 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.975 -0.377 4.787 1.00 0.00 H new ATOM 1115 N LEU A 72 -3.572 1.034 0.309 1.00 0.00 N ATOM 1116 CA LEU A 72 -3.079 2.192 -0.426 1.00 0.00 C ATOM 1117 C LEU A 72 -3.079 1.915 -1.925 1.00 0.00 C ATOM 1118 O LEU A 72 -3.586 2.717 -2.713 1.00 0.00 O ATOM 1119 CB LEU A 72 -1.666 2.568 0.037 1.00 0.00 C ATOM 1120 CG LEU A 72 -1.015 3.723 -0.731 1.00 0.00 C ATOM 1121 CD1 LEU A 72 -1.858 4.987 -0.624 1.00 0.00 C ATOM 1122 CD2 LEU A 72 0.397 3.974 -0.218 1.00 0.00 C ATOM 0 H LEU A 72 -2.893 0.620 0.948 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.747 3.029 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.705 2.832 1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.027 1.689 -0.049 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.956 3.444 -1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.376 5.794 -1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.847 4.801 -1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.955 5.272 0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.845 4.797 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.359 4.229 0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.998 3.075 -0.353 1.00 0.00 H new ATOM 1134 N ALA A 73 -2.520 0.773 -2.305 1.00 0.00 N ATOM 1135 CA ALA A 73 -2.443 0.378 -3.705 1.00 0.00 C ATOM 1136 C ALA A 73 -3.827 0.317 -4.341 1.00 0.00 C ATOM 1137 O ALA A 73 -4.033 0.812 -5.449 1.00 0.00 O ATOM 1138 CB ALA A 73 -1.741 -0.965 -3.835 1.00 0.00 C ATOM 0 H ALA A 73 -2.111 0.100 -1.657 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.864 1.134 -4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.690 -1.249 -4.886 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.732 -0.889 -3.430 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.297 -1.721 -3.282 1.00 0.00 H new ATOM 1144 N MET A 74 -4.780 -0.266 -3.625 1.00 0.00 N ATOM 1145 CA MET A 74 -6.136 -0.413 -4.139 1.00 0.00 C ATOM 1146 C MET A 74 -6.846 0.934 -4.224 1.00 0.00 C ATOM 1147 O MET A 74 -7.727 1.127 -5.060 1.00 0.00 O ATOM 1148 CB MET A 74 -6.942 -1.380 -3.278 1.00 0.00 C ATOM 1149 CG MET A 74 -6.411 -2.802 -3.301 1.00 0.00 C ATOM 1150 SD MET A 74 -6.297 -3.482 -4.968 1.00 0.00 S ATOM 1151 CE MET A 74 -8.007 -3.396 -5.503 1.00 0.00 C ATOM 0 H MET A 74 -4.640 -0.644 -2.688 1.00 0.00 H new ATOM 0 HA MET A 74 -6.061 -0.822 -5.146 1.00 0.00 H new ATOM 0 HB2 MET A 74 -6.947 -1.020 -2.249 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.977 -1.382 -3.620 1.00 0.00 H new ATOM 0 HG2 MET A 74 -5.425 -2.824 -2.837 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.061 -3.437 -2.699 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.134 -3.985 -6.411 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.654 -3.792 -4.720 1.00 0.00 H new ATOM 0 HE3 MET A 74 -8.274 -2.358 -5.704 1.00 0.00 H new ATOM 1161 N HIS A 75 -6.467 1.869 -3.363 1.00 0.00 N ATOM 1162 CA HIS A 75 -7.023 3.214 -3.433 1.00 0.00 C ATOM 1163 C HIS A 75 -6.474 3.943 -4.659 1.00 0.00 C ATOM 1164 O HIS A 75 -7.169 4.749 -5.277 1.00 0.00 O ATOM 1165 CB HIS A 75 -6.728 4.006 -2.155 1.00 0.00 C ATOM 1166 CG HIS A 75 -7.323 5.386 -2.151 1.00 0.00 C ATOM 1167 ND1 HIS A 75 -6.752 6.598 -1.952 1.00 0.00 N flip ATOM 1168 CD2 HIS A 75 -8.661 5.634 -2.386 1.00 0.00 C flip ATOM 1169 CE1 HIS A 75 -7.741 7.542 -2.070 1.00 0.00 C flip ATOM 1170 NE2 HIS A 75 -8.881 6.935 -2.332 1.00 0.00 N flip ATOM 0 H HIS A 75 -5.786 1.725 -2.617 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.106 3.132 -3.526 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -7.111 3.452 -1.298 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -5.648 4.085 -2.027 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -9.410 4.882 -2.583 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -7.607 8.609 -1.965 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -9.782 7.393 -2.470 1.00 0.00 H new ATOM 1179 N LEU A 76 -5.223 3.654 -5.002 1.00 0.00 N ATOM 1180 CA LEU A 76 -4.616 4.208 -6.208 1.00 0.00 C ATOM 1181 C LEU A 76 -5.299 3.637 -7.448 1.00 0.00 C ATOM 1182 O LEU A 76 -5.370 4.295 -8.489 1.00 0.00 O ATOM 1183 CB LEU A 76 -3.116 3.903 -6.240 1.00 0.00 C ATOM 1184 CG LEU A 76 -2.313 4.483 -5.075 1.00 0.00 C ATOM 1185 CD1 LEU A 76 -0.865 4.027 -5.145 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -2.389 6.002 -5.075 1.00 0.00 C ATOM 0 H LEU A 76 -4.611 3.041 -4.464 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.748 5.290 -6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.981 2.821 -6.252 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.703 4.286 -7.173 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.748 4.115 -4.145 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.310 4.450 -4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.823 2.939 -5.096 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.422 4.365 -6.082 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.811 6.395 -4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.982 6.387 -6.010 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.429 6.314 -4.977 1.00 0.00 H new ATOM 1198 N ILE A 77 -5.802 2.411 -7.316 1.00 0.00 N ATOM 1199 CA ILE A 77 -6.577 1.772 -8.371 1.00 0.00 C ATOM 1200 C ILE A 77 -7.773 2.640 -8.749 1.00 0.00 C ATOM 1201 O ILE A 77 -7.996 2.914 -9.921 1.00 0.00 O ATOM 1202 CB ILE A 77 -7.081 0.370 -7.935 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -5.910 -0.603 -7.762 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -8.089 -0.181 -8.933 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -5.168 -0.905 -9.045 1.00 0.00 C ATOM 0 H ILE A 77 -5.684 1.838 -6.480 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.921 1.653 -9.233 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.580 0.480 -6.972 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.209 -0.187 -7.038 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -6.285 -1.537 -7.343 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -8.426 -1.164 -8.604 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -8.943 0.493 -8.997 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.620 -0.267 -9.913 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -4.354 -1.600 -8.840 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.854 -1.351 -9.765 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.761 0.019 -9.456 1.00 0.00 H new ATOM 1217 N ASP A 78 -8.512 3.093 -7.737 1.00 0.00 N ATOM 1218 CA ASP A 78 -9.706 3.918 -7.945 1.00 0.00 C ATOM 1219 C ASP A 78 -9.396 5.153 -8.785 1.00 0.00 C ATOM 1220 O ASP A 78 -10.141 5.493 -9.708 1.00 0.00 O ATOM 1221 CB ASP A 78 -10.296 4.341 -6.598 1.00 0.00 C ATOM 1222 CG ASP A 78 -11.437 5.335 -6.737 1.00 0.00 C ATOM 1223 OD1 ASP A 78 -12.445 5.005 -7.393 1.00 0.00 O ATOM 1224 OD2 ASP A 78 -11.337 6.448 -6.172 1.00 0.00 O ATOM 0 H ASP A 78 -8.304 2.902 -6.757 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.434 3.315 -8.488 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.654 3.457 -6.070 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.510 4.782 -5.985 1.00 0.00 H new ATOM 1229 N VAL A 79 -8.290 5.810 -8.468 1.00 0.00 N ATOM 1230 CA VAL A 79 -7.885 7.012 -9.183 1.00 0.00 C ATOM 1231 C VAL A 79 -7.622 6.703 -10.656 1.00 0.00 C ATOM 1232 O VAL A 79 -8.173 7.354 -11.547 1.00 0.00 O ATOM 1233 CB VAL A 79 -6.620 7.641 -8.560 1.00 0.00 C ATOM 1234 CG1 VAL A 79 -6.240 8.930 -9.275 1.00 0.00 C ATOM 1235 CG2 VAL A 79 -6.825 7.883 -7.071 1.00 0.00 C ATOM 0 H VAL A 79 -7.656 5.531 -7.719 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.705 7.725 -9.103 1.00 0.00 H new ATOM 0 HB VAL A 79 -5.795 6.940 -8.683 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.346 9.351 -8.815 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.043 8.719 -10.326 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.059 9.645 -9.196 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.924 8.327 -6.647 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.666 8.560 -6.925 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.031 6.935 -6.573 1.00 0.00 H new ATOM 1245 N ALA A 80 -6.806 5.686 -10.905 1.00 0.00 N ATOM 1246 CA ALA A 80 -6.465 5.298 -12.271 1.00 0.00 C ATOM 1247 C ALA A 80 -7.675 4.716 -13.001 1.00 0.00 C ATOM 1248 O ALA A 80 -7.807 4.862 -14.214 1.00 0.00 O ATOM 1249 CB ALA A 80 -5.316 4.302 -12.270 1.00 0.00 C ATOM 0 H ALA A 80 -6.368 5.115 -10.182 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.151 6.195 -12.805 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.075 4.024 -13.296 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.442 4.755 -11.802 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.606 3.412 -11.711 1.00 0.00 H new ATOM 1255 N MET A 81 -8.559 4.066 -12.248 1.00 0.00 N ATOM 1256 CA MET A 81 -9.752 3.459 -12.775 1.00 0.00 C ATOM 1257 C MET A 81 -10.700 4.504 -13.362 1.00 0.00 C ATOM 1258 O MET A 81 -11.564 4.188 -14.181 1.00 0.00 O ATOM 1259 CB MET A 81 -10.430 2.703 -11.640 1.00 0.00 C ATOM 1260 CG MET A 81 -11.524 1.797 -12.104 1.00 0.00 C ATOM 1261 SD MET A 81 -12.387 0.985 -10.743 1.00 0.00 S ATOM 1262 CE MET A 81 -13.522 -0.059 -11.648 1.00 0.00 C ATOM 0 H MET A 81 -8.454 3.951 -11.240 1.00 0.00 H new ATOM 0 HA MET A 81 -9.489 2.780 -13.586 1.00 0.00 H new ATOM 0 HB2 MET A 81 -9.683 2.115 -11.107 1.00 0.00 H new ATOM 0 HB3 MET A 81 -10.839 3.420 -10.928 1.00 0.00 H new ATOM 0 HG2 MET A 81 -12.241 2.372 -12.691 1.00 0.00 H new ATOM 0 HG3 MET A 81 -11.105 1.039 -12.766 1.00 0.00 H new ATOM 0 HE1 MET A 81 -14.130 -0.629 -10.946 1.00 0.00 H new ATOM 0 HE2 MET A 81 -14.169 0.560 -12.269 1.00 0.00 H new ATOM 0 HE3 MET A 81 -12.959 -0.745 -12.281 1.00 0.00 H new ATOM 1272 N SER A 82 -10.537 5.751 -12.940 1.00 0.00 N ATOM 1273 CA SER A 82 -11.358 6.837 -13.450 1.00 0.00 C ATOM 1274 C SER A 82 -10.699 7.468 -14.677 1.00 0.00 C ATOM 1275 O SER A 82 -11.195 8.445 -15.238 1.00 0.00 O ATOM 1276 CB SER A 82 -11.583 7.888 -12.356 1.00 0.00 C ATOM 1277 OG SER A 82 -12.595 8.811 -12.726 1.00 0.00 O ATOM 0 H SER A 82 -9.844 6.034 -12.247 1.00 0.00 H new ATOM 0 HA SER A 82 -12.327 6.437 -13.749 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.862 7.393 -11.426 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.652 8.423 -12.166 1.00 0.00 H new ATOM 0 HG SER A 82 -12.478 9.066 -13.665 1.00 0.00 H new ATOM 1283 N GLY A 83 -9.574 6.896 -15.094 1.00 0.00 N ATOM 1284 CA GLY A 83 -8.881 7.388 -16.271 1.00 0.00 C ATOM 1285 C GLY A 83 -7.966 8.554 -15.961 1.00 0.00 C ATOM 1286 O GLY A 83 -7.585 9.311 -16.854 1.00 0.00 O ATOM 0 H GLY A 83 -9.129 6.100 -14.637 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.297 6.579 -16.709 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -9.613 7.694 -17.018 1.00 0.00 H new ATOM 1290 N GLN A 84 -7.614 8.697 -14.691 1.00 0.00 N ATOM 1291 CA GLN A 84 -6.764 9.787 -14.251 1.00 0.00 C ATOM 1292 C GLN A 84 -5.306 9.347 -14.177 1.00 0.00 C ATOM 1293 O GLN A 84 -5.013 8.198 -13.836 1.00 0.00 O ATOM 1294 CB GLN A 84 -7.237 10.282 -12.887 1.00 0.00 C ATOM 1295 CG GLN A 84 -8.596 10.961 -12.927 1.00 0.00 C ATOM 1296 CD GLN A 84 -8.567 12.265 -13.698 1.00 0.00 C ATOM 1297 OE1 GLN A 84 -8.779 12.290 -14.910 1.00 0.00 O ATOM 1298 NE2 GLN A 84 -8.311 13.360 -13.000 1.00 0.00 N ATOM 0 H GLN A 84 -7.908 8.066 -13.945 1.00 0.00 H new ATOM 0 HA GLN A 84 -6.832 10.598 -14.975 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.281 9.438 -12.198 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.502 10.981 -12.488 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -9.322 10.288 -13.383 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -8.934 11.152 -11.908 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.141 13.297 -11.996 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.284 14.267 -13.466 1.00 0.00 H new ATOM 1307 N PRO A 85 -4.374 10.256 -14.506 1.00 0.00 N ATOM 1308 CA PRO A 85 -2.940 9.978 -14.454 1.00 0.00 C ATOM 1309 C PRO A 85 -2.419 9.946 -13.020 1.00 0.00 C ATOM 1310 O PRO A 85 -2.901 10.682 -12.157 1.00 0.00 O ATOM 1311 CB PRO A 85 -2.301 11.145 -15.226 1.00 0.00 C ATOM 1312 CG PRO A 85 -3.437 11.918 -15.819 1.00 0.00 C ATOM 1313 CD PRO A 85 -4.638 11.623 -14.969 1.00 0.00 C ATOM 0 HA PRO A 85 -2.704 9.002 -14.877 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.706 11.773 -14.562 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -1.631 10.778 -16.003 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -3.219 12.986 -15.826 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.611 11.621 -16.853 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -4.728 12.322 -14.138 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.564 11.686 -15.540 1.00 0.00 H new ATOM 1321 N LEU A 86 -1.433 9.096 -12.777 1.00 0.00 N ATOM 1322 CA LEU A 86 -0.844 8.967 -11.454 1.00 0.00 C ATOM 1323 C LEU A 86 0.248 10.013 -11.261 1.00 0.00 C ATOM 1324 O LEU A 86 0.968 10.345 -12.203 1.00 0.00 O ATOM 1325 CB LEU A 86 -0.262 7.561 -11.277 1.00 0.00 C ATOM 1326 CG LEU A 86 -1.269 6.417 -11.424 1.00 0.00 C ATOM 1327 CD1 LEU A 86 -0.560 5.073 -11.358 1.00 0.00 C ATOM 1328 CD2 LEU A 86 -2.337 6.507 -10.346 1.00 0.00 C ATOM 0 H LEU A 86 -1.023 8.483 -13.482 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.619 9.127 -10.705 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.534 7.420 -12.008 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.196 7.496 -10.290 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.752 6.506 -12.397 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.290 4.271 -11.464 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.171 5.007 -12.164 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.052 4.976 -10.399 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.044 5.686 -10.465 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.869 6.443 -9.364 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.865 7.457 -10.435 1.00 0.00 H new ATOM 1340 N PRO A 87 0.381 10.554 -10.044 1.00 0.00 N ATOM 1341 CA PRO A 87 1.403 11.555 -9.735 1.00 0.00 C ATOM 1342 C PRO A 87 2.808 10.952 -9.727 1.00 0.00 C ATOM 1343 O PRO A 87 2.979 9.760 -9.464 1.00 0.00 O ATOM 1344 CB PRO A 87 1.025 12.047 -8.325 1.00 0.00 C ATOM 1345 CG PRO A 87 -0.340 11.503 -8.060 1.00 0.00 C ATOM 1346 CD PRO A 87 -0.457 10.252 -8.880 1.00 0.00 C ATOM 0 HA PRO A 87 1.429 12.351 -10.479 1.00 0.00 H new ATOM 0 HB2 PRO A 87 1.739 11.692 -7.582 1.00 0.00 H new ATOM 0 HB3 PRO A 87 1.029 13.136 -8.276 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.475 11.288 -7.000 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.108 12.225 -8.339 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -0.098 9.377 -8.338 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.489 10.049 -9.165 1.00 0.00 H new ATOM 1354 N PRO A 88 3.834 11.771 -10.010 1.00 0.00 N ATOM 1355 CA PRO A 88 5.229 11.327 -9.979 1.00 0.00 C ATOM 1356 C PRO A 88 5.735 11.148 -8.551 1.00 0.00 C ATOM 1357 O PRO A 88 6.691 10.411 -8.299 1.00 0.00 O ATOM 1358 CB PRO A 88 5.976 12.463 -10.680 1.00 0.00 C ATOM 1359 CG PRO A 88 5.140 13.669 -10.438 1.00 0.00 C ATOM 1360 CD PRO A 88 3.713 13.188 -10.407 1.00 0.00 C ATOM 0 HA PRO A 88 5.368 10.357 -10.456 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.979 12.588 -10.273 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.087 12.265 -11.746 1.00 0.00 H new ATOM 0 HG2 PRO A 88 5.410 14.148 -9.497 1.00 0.00 H new ATOM 0 HG3 PRO A 88 5.285 14.408 -11.226 1.00 0.00 H new ATOM 0 HD2 PRO A 88 3.114 13.755 -9.694 1.00 0.00 H new ATOM 0 HD3 PRO A 88 3.233 13.292 -11.380 1.00 0.00 H new ATOM 1368 N VAL A 89 5.080 11.835 -7.625 1.00 0.00 N ATOM 1369 CA VAL A 89 5.407 11.754 -6.213 1.00 0.00 C ATOM 1370 C VAL A 89 4.132 11.559 -5.408 1.00 0.00 C ATOM 1371 O VAL A 89 3.057 11.996 -5.825 1.00 0.00 O ATOM 1372 CB VAL A 89 6.140 13.023 -5.716 1.00 0.00 C ATOM 1373 CG1 VAL A 89 7.511 13.136 -6.360 1.00 0.00 C ATOM 1374 CG2 VAL A 89 5.315 14.273 -5.996 1.00 0.00 C ATOM 0 H VAL A 89 4.306 12.465 -7.835 1.00 0.00 H new ATOM 0 HA VAL A 89 6.077 10.905 -6.074 1.00 0.00 H new ATOM 0 HB VAL A 89 6.271 12.936 -4.637 1.00 0.00 H new ATOM 0 HG11 VAL A 89 8.010 14.035 -5.998 1.00 0.00 H new ATOM 0 HG12 VAL A 89 8.107 12.261 -6.102 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.401 13.194 -7.443 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.852 15.151 -5.637 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.146 14.364 -7.069 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.356 14.199 -5.482 1.00 0.00 H new ATOM 1384 N LEU A 90 4.242 10.895 -4.271 1.00 0.00 N ATOM 1385 CA LEU A 90 3.077 10.636 -3.439 1.00 0.00 C ATOM 1386 C LEU A 90 3.022 11.639 -2.289 1.00 0.00 C ATOM 1387 O LEU A 90 4.061 12.006 -1.729 1.00 0.00 O ATOM 1388 CB LEU A 90 3.151 9.204 -2.886 1.00 0.00 C ATOM 1389 CG LEU A 90 1.876 8.677 -2.220 1.00 0.00 C ATOM 1390 CD1 LEU A 90 0.789 8.440 -3.259 1.00 0.00 C ATOM 1391 CD2 LEU A 90 2.169 7.397 -1.451 1.00 0.00 C ATOM 0 H LEU A 90 5.119 10.527 -3.903 1.00 0.00 H new ATOM 0 HA LEU A 90 2.174 10.744 -4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.415 8.533 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.963 9.157 -2.160 1.00 0.00 H new ATOM 0 HG LEU A 90 1.518 9.428 -1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.109 8.066 -2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.561 9.377 -3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.136 7.707 -3.988 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.253 7.035 -0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.550 6.640 -2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.914 7.597 -0.681 1.00 0.00 H new ATOM 1403 N PRO A 91 1.818 12.115 -1.928 1.00 0.00 N ATOM 1404 CA PRO A 91 1.631 12.982 -0.763 1.00 0.00 C ATOM 1405 C PRO A 91 1.810 12.219 0.550 1.00 0.00 C ATOM 1406 O PRO A 91 1.566 11.012 0.613 1.00 0.00 O ATOM 1407 CB PRO A 91 0.182 13.478 -0.903 1.00 0.00 C ATOM 1408 CG PRO A 91 -0.231 13.123 -2.293 1.00 0.00 C ATOM 1409 CD PRO A 91 0.561 11.904 -2.657 1.00 0.00 C ATOM 0 HA PRO A 91 2.363 13.789 -0.734 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -0.468 13.003 -0.168 1.00 0.00 H new ATOM 0 HB3 PRO A 91 0.118 14.553 -0.738 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -1.301 12.923 -2.344 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -0.027 13.942 -2.983 1.00 0.00 H new ATOM 0 HD2 PRO A 91 0.060 10.987 -2.347 1.00 0.00 H new ATOM 0 HD3 PRO A 91 0.723 11.831 -3.732 1.00 0.00 H new ATOM 1417 N PRO A 92 2.208 12.923 1.623 1.00 0.00 N ATOM 1418 CA PRO A 92 2.479 12.305 2.928 1.00 0.00 C ATOM 1419 C PRO A 92 1.234 11.689 3.560 1.00 0.00 C ATOM 1420 O PRO A 92 1.320 10.705 4.289 1.00 0.00 O ATOM 1421 CB PRO A 92 2.991 13.471 3.788 1.00 0.00 C ATOM 1422 CG PRO A 92 3.364 14.542 2.821 1.00 0.00 C ATOM 1423 CD PRO A 92 2.444 14.375 1.649 1.00 0.00 C ATOM 0 HA PRO A 92 3.187 11.481 2.837 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.222 13.816 4.479 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.848 13.169 4.389 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.251 15.529 3.269 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.406 14.448 2.516 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.517 14.933 1.780 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.900 14.727 0.724 1.00 0.00 H new ATOM 1431 N GLU A 93 0.078 12.263 3.253 1.00 0.00 N ATOM 1432 CA GLU A 93 -1.182 11.819 3.839 1.00 0.00 C ATOM 1433 C GLU A 93 -1.628 10.476 3.259 1.00 0.00 C ATOM 1434 O GLU A 93 -2.526 9.826 3.789 1.00 0.00 O ATOM 1435 CB GLU A 93 -2.263 12.881 3.629 1.00 0.00 C ATOM 1436 CG GLU A 93 -1.913 14.233 4.238 1.00 0.00 C ATOM 1437 CD GLU A 93 -1.712 14.170 5.743 1.00 0.00 C ATOM 1438 OE1 GLU A 93 -0.681 13.623 6.189 1.00 0.00 O ATOM 1439 OE2 GLU A 93 -2.583 14.665 6.485 1.00 0.00 O ATOM 0 H GLU A 93 -0.014 13.040 2.599 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.025 11.679 4.909 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.435 13.007 2.560 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.198 12.527 4.063 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.004 14.612 3.771 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.708 14.944 4.012 1.00 0.00 H new ATOM 1446 N TYR A 94 -1.004 10.071 2.160 1.00 0.00 N ATOM 1447 CA TYR A 94 -1.314 8.787 1.541 1.00 0.00 C ATOM 1448 C TYR A 94 -0.411 7.688 2.085 1.00 0.00 C ATOM 1449 O TYR A 94 -0.706 6.504 1.934 1.00 0.00 O ATOM 1450 CB TYR A 94 -1.160 8.872 0.022 1.00 0.00 C ATOM 1451 CG TYR A 94 -2.372 9.435 -0.686 1.00 0.00 C ATOM 1452 CD1 TYR A 94 -2.535 10.804 -0.866 1.00 0.00 C ATOM 1453 CD2 TYR A 94 -3.355 8.587 -1.177 1.00 0.00 C ATOM 1454 CE1 TYR A 94 -3.650 11.309 -1.514 1.00 0.00 C ATOM 1455 CE2 TYR A 94 -4.467 9.083 -1.825 1.00 0.00 C ATOM 1456 CZ TYR A 94 -4.610 10.443 -1.991 1.00 0.00 C ATOM 1457 OH TYR A 94 -5.726 10.936 -2.629 1.00 0.00 O ATOM 0 H TYR A 94 -0.283 10.610 1.680 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.348 8.543 1.783 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -0.294 9.492 -0.212 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -0.953 7.876 -0.369 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.782 11.483 -0.495 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.247 7.520 -1.049 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.766 12.375 -1.645 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.222 8.408 -2.200 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.301 10.192 -2.904 1.00 0.00 H new ATOM 1467 N ILE A 95 0.677 8.085 2.729 1.00 0.00 N ATOM 1468 CA ILE A 95 1.646 7.126 3.236 1.00 0.00 C ATOM 1469 C ILE A 95 1.121 6.471 4.511 1.00 0.00 C ATOM 1470 O ILE A 95 0.781 7.159 5.476 1.00 0.00 O ATOM 1471 CB ILE A 95 3.011 7.796 3.517 1.00 0.00 C ATOM 1472 CG1 ILE A 95 3.480 8.581 2.288 1.00 0.00 C ATOM 1473 CG2 ILE A 95 4.048 6.747 3.898 1.00 0.00 C ATOM 1474 CD1 ILE A 95 4.775 9.337 2.503 1.00 0.00 C ATOM 0 H ILE A 95 0.910 9.061 2.912 1.00 0.00 H new ATOM 0 HA ILE A 95 1.792 6.365 2.469 1.00 0.00 H new ATOM 0 HB ILE A 95 2.893 8.488 4.351 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.607 7.890 1.454 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.701 9.287 2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.004 7.234 4.093 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.720 6.220 4.794 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.163 6.036 3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.042 9.868 1.589 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.648 10.053 3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.568 8.635 2.760 1.00 0.00 H new ATOM 1486 N PRO A 96 1.030 5.131 4.518 1.00 0.00 N ATOM 1487 CA PRO A 96 0.497 4.377 5.659 1.00 0.00 C ATOM 1488 C PRO A 96 1.321 4.575 6.931 1.00 0.00 C ATOM 1489 O PRO A 96 2.518 4.874 6.868 1.00 0.00 O ATOM 1490 CB PRO A 96 0.567 2.915 5.196 1.00 0.00 C ATOM 1491 CG PRO A 96 1.550 2.904 4.079 1.00 0.00 C ATOM 1492 CD PRO A 96 1.439 4.247 3.416 1.00 0.00 C ATOM 0 HA PRO A 96 -0.509 4.705 5.921 1.00 0.00 H new ATOM 0 HB2 PRO A 96 0.886 2.260 6.007 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.409 2.560 4.865 1.00 0.00 H new ATOM 0 HG2 PRO A 96 2.561 2.735 4.450 1.00 0.00 H new ATOM 0 HG3 PRO A 96 1.331 2.102 3.374 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.387 4.560 2.979 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.704 4.240 2.611 1.00 0.00 H new ATOM 1500 N PRO A 97 0.688 4.399 8.106 1.00 0.00 N ATOM 1501 CA PRO A 97 1.352 4.554 9.405 1.00 0.00 C ATOM 1502 C PRO A 97 2.563 3.635 9.546 1.00 0.00 C ATOM 1503 O PRO A 97 2.649 2.606 8.869 1.00 0.00 O ATOM 1504 CB PRO A 97 0.266 4.174 10.418 1.00 0.00 C ATOM 1505 CG PRO A 97 -1.020 4.357 9.691 1.00 0.00 C ATOM 1506 CD PRO A 97 -0.730 4.034 8.255 1.00 0.00 C ATOM 0 HA PRO A 97 1.740 5.563 9.545 1.00 0.00 H new ATOM 0 HB2 PRO A 97 0.385 3.145 10.757 1.00 0.00 H new ATOM 0 HB3 PRO A 97 0.313 4.808 11.303 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.792 3.700 10.091 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -1.386 5.378 9.795 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -0.899 2.979 8.038 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.366 4.605 7.578 1.00 0.00 H new ATOM 1514 N SER A 98 3.488 4.020 10.427 1.00 0.00 N ATOM 1515 CA SER A 98 4.736 3.286 10.659 1.00 0.00 C ATOM 1516 C SER A 98 5.689 3.388 9.462 1.00 0.00 C ATOM 1517 O SER A 98 6.833 3.815 9.611 1.00 0.00 O ATOM 1518 CB SER A 98 4.454 1.818 10.993 1.00 0.00 C ATOM 1519 OG SER A 98 3.534 1.705 12.069 1.00 0.00 O ATOM 0 H SER A 98 3.393 4.856 11.004 1.00 0.00 H new ATOM 0 HA SER A 98 5.227 3.750 11.514 1.00 0.00 H new ATOM 0 HB2 SER A 98 4.054 1.312 10.114 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.386 1.316 11.253 1.00 0.00 H new ATOM 0 HG SER A 98 3.370 0.758 12.261 1.00 0.00 H new ATOM 1525 N PHE A 99 5.198 3.037 8.275 1.00 0.00 N ATOM 1526 CA PHE A 99 6.017 2.993 7.062 1.00 0.00 C ATOM 1527 C PHE A 99 6.521 4.381 6.663 1.00 0.00 C ATOM 1528 O PHE A 99 7.359 4.511 5.771 1.00 0.00 O ATOM 1529 CB PHE A 99 5.218 2.385 5.905 1.00 0.00 C ATOM 1530 CG PHE A 99 4.757 0.975 6.154 1.00 0.00 C ATOM 1531 CD1 PHE A 99 5.642 -0.087 6.053 1.00 0.00 C ATOM 1532 CD2 PHE A 99 3.438 0.714 6.487 1.00 0.00 C ATOM 1533 CE1 PHE A 99 5.218 -1.383 6.282 1.00 0.00 C ATOM 1534 CE2 PHE A 99 3.008 -0.578 6.716 1.00 0.00 C ATOM 1535 CZ PHE A 99 3.900 -1.629 6.613 1.00 0.00 C ATOM 0 H PHE A 99 4.224 2.775 8.126 1.00 0.00 H new ATOM 0 HA PHE A 99 6.884 2.369 7.279 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.348 3.012 5.709 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.832 2.402 5.005 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.673 0.100 5.793 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.737 1.532 6.569 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.917 -2.202 6.202 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.977 -0.767 6.975 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.567 -2.641 6.791 1.00 0.00 H new ATOM 1545 N ARG A 100 6.006 5.416 7.321 1.00 0.00 N ATOM 1546 CA ARG A 100 6.445 6.783 7.059 1.00 0.00 C ATOM 1547 C ARG A 100 7.894 6.994 7.505 1.00 0.00 C ATOM 1548 O ARG A 100 8.575 7.892 7.012 1.00 0.00 O ATOM 1549 CB ARG A 100 5.529 7.799 7.758 1.00 0.00 C ATOM 1550 CG ARG A 100 4.096 7.792 7.244 1.00 0.00 C ATOM 1551 CD ARG A 100 3.278 8.931 7.834 1.00 0.00 C ATOM 1552 NE ARG A 100 3.824 10.244 7.477 1.00 0.00 N ATOM 1553 CZ ARG A 100 3.097 11.361 7.392 1.00 0.00 C ATOM 1554 NH1 ARG A 100 1.794 11.345 7.639 1.00 0.00 N ATOM 1555 NH2 ARG A 100 3.680 12.501 7.047 1.00 0.00 N ATOM 0 H ARG A 100 5.285 5.334 8.038 1.00 0.00 H new ATOM 0 HA ARG A 100 6.387 6.943 5.982 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.522 7.591 8.828 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.946 8.798 7.630 1.00 0.00 H new ATOM 0 HG2 ARG A 100 4.099 7.872 6.157 1.00 0.00 H new ATOM 0 HG3 ARG A 100 3.626 6.840 7.492 1.00 0.00 H new ATOM 0 HD2 ARG A 100 2.249 8.859 7.481 1.00 0.00 H new ATOM 0 HD3 ARG A 100 3.251 8.833 8.919 1.00 0.00 H new ATOM 0 HE ARG A 100 4.823 10.308 7.281 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.335 10.472 7.898 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.251 12.206 7.570 1.00 0.00 H new ATOM 0 HH21 ARG A 100 4.680 12.522 6.848 1.00 0.00 H new ATOM 0 HH22 ARG A 100 3.128 13.356 6.981 1.00 0.00 H new ATOM 1569 N ARG A 101 8.370 6.164 8.428 1.00 0.00 N ATOM 1570 CA ARG A 101 9.740 6.294 8.918 1.00 0.00 C ATOM 1571 C ARG A 101 10.356 4.941 9.264 1.00 0.00 C ATOM 1572 O ARG A 101 11.571 4.769 9.180 1.00 0.00 O ATOM 1573 CB ARG A 101 9.799 7.222 10.136 1.00 0.00 C ATOM 1574 CG ARG A 101 8.927 6.779 11.300 1.00 0.00 C ATOM 1575 CD ARG A 101 9.129 7.666 12.520 1.00 0.00 C ATOM 1576 NE ARG A 101 8.810 9.070 12.246 1.00 0.00 N ATOM 1577 CZ ARG A 101 8.480 9.958 13.186 1.00 0.00 C ATOM 1578 NH1 ARG A 101 8.405 9.591 14.459 1.00 0.00 N ATOM 1579 NH2 ARG A 101 8.221 11.217 12.849 1.00 0.00 N ATOM 0 H ARG A 101 7.836 5.403 8.848 1.00 0.00 H new ATOM 0 HA ARG A 101 10.325 6.730 8.108 1.00 0.00 H new ATOM 0 HB2 ARG A 101 10.832 7.291 10.476 1.00 0.00 H new ATOM 0 HB3 ARG A 101 9.496 8.224 9.831 1.00 0.00 H new ATOM 0 HG2 ARG A 101 7.879 6.804 11.001 1.00 0.00 H new ATOM 0 HG3 ARG A 101 9.160 5.746 11.558 1.00 0.00 H new ATOM 0 HD2 ARG A 101 8.502 7.306 13.336 1.00 0.00 H new ATOM 0 HD3 ARG A 101 10.163 7.589 12.855 1.00 0.00 H new ATOM 0 HE ARG A 101 8.842 9.388 11.277 1.00 0.00 H new ATOM 0 HH11 ARG A 101 8.600 8.625 14.724 1.00 0.00 H new ATOM 0 HH12 ARG A 101 8.152 10.274 15.173 1.00 0.00 H new ATOM 0 HH21 ARG A 101 8.274 11.505 11.872 1.00 0.00 H new ATOM 0 HH22 ARG A 101 7.969 11.896 13.567 1.00 0.00 H new ATOM 1593 N VAL A 102 9.530 3.978 9.645 1.00 0.00 N ATOM 1594 CA VAL A 102 10.032 2.671 10.038 1.00 0.00 C ATOM 1595 C VAL A 102 10.230 1.781 8.816 1.00 0.00 C ATOM 1596 O VAL A 102 9.334 1.036 8.418 1.00 0.00 O ATOM 1597 CB VAL A 102 9.093 1.971 11.051 1.00 0.00 C ATOM 1598 CG1 VAL A 102 9.707 0.670 11.549 1.00 0.00 C ATOM 1599 CG2 VAL A 102 8.787 2.889 12.223 1.00 0.00 C ATOM 0 H VAL A 102 8.516 4.076 9.690 1.00 0.00 H new ATOM 0 HA VAL A 102 10.993 2.831 10.526 1.00 0.00 H new ATOM 0 HB VAL A 102 8.160 1.738 10.538 1.00 0.00 H new ATOM 0 HG11 VAL A 102 9.029 0.196 12.259 1.00 0.00 H new ATOM 0 HG12 VAL A 102 9.875 0.000 10.705 1.00 0.00 H new ATOM 0 HG13 VAL A 102 10.657 0.881 12.039 1.00 0.00 H new ATOM 0 HG21 VAL A 102 8.126 2.378 12.923 1.00 0.00 H new ATOM 0 HG22 VAL A 102 9.715 3.155 12.729 1.00 0.00 H new ATOM 0 HG23 VAL A 102 8.300 3.794 11.859 1.00 0.00 H new ATOM 1609 N ARG A 103 11.393 1.904 8.199 1.00 0.00 N ATOM 1610 CA ARG A 103 11.751 1.059 7.071 1.00 0.00 C ATOM 1611 C ARG A 103 13.166 0.520 7.251 1.00 0.00 C ATOM 1612 O ARG A 103 13.713 -0.139 6.368 1.00 0.00 O ATOM 1613 CB ARG A 103 11.645 1.835 5.752 1.00 0.00 C ATOM 1614 CG ARG A 103 12.612 3.005 5.647 1.00 0.00 C ATOM 1615 CD ARG A 103 12.520 3.685 4.290 1.00 0.00 C ATOM 1616 NE ARG A 103 11.200 4.266 4.054 1.00 0.00 N ATOM 1617 CZ ARG A 103 10.510 4.118 2.926 1.00 0.00 C ATOM 1618 NH1 ARG A 103 11.028 3.453 1.904 1.00 0.00 N ATOM 1619 NH2 ARG A 103 9.304 4.652 2.810 1.00 0.00 N ATOM 0 H ARG A 103 12.108 2.583 8.461 1.00 0.00 H new ATOM 0 HA ARG A 103 11.053 0.223 7.032 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.826 1.151 4.923 1.00 0.00 H new ATOM 0 HB3 ARG A 103 10.626 2.207 5.641 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.396 3.729 6.433 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.630 2.652 5.810 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.277 4.467 4.225 1.00 0.00 H new ATOM 0 HD3 ARG A 103 12.742 2.961 3.506 1.00 0.00 H new ATOM 0 HE ARG A 103 10.781 4.820 4.801 1.00 0.00 H new ATOM 0 HH11 ARG A 103 11.962 3.050 1.979 1.00 0.00 H new ATOM 0 HH12 ARG A 103 10.493 3.344 1.043 1.00 0.00 H new ATOM 0 HH21 ARG A 103 8.902 5.178 3.586 1.00 0.00 H new ATOM 0 HH22 ARG A 103 8.777 4.537 1.944 1.00 0.00 H new ATOM 1633 N LEU A 104 13.744 0.799 8.411 1.00 0.00 N ATOM 1634 CA LEU A 104 15.112 0.406 8.701 1.00 0.00 C ATOM 1635 C LEU A 104 15.118 -0.832 9.590 1.00 0.00 C ATOM 1636 O LEU A 104 14.638 -0.797 10.725 1.00 0.00 O ATOM 1637 CB LEU A 104 15.852 1.579 9.366 1.00 0.00 C ATOM 1638 CG LEU A 104 17.373 1.433 9.503 1.00 0.00 C ATOM 1639 CD1 LEU A 104 18.020 2.798 9.668 1.00 0.00 C ATOM 1640 CD2 LEU A 104 17.728 0.560 10.692 1.00 0.00 C ATOM 0 H LEU A 104 13.281 1.300 9.170 1.00 0.00 H new ATOM 0 HA LEU A 104 15.630 0.155 7.775 1.00 0.00 H new ATOM 0 HB2 LEU A 104 15.645 2.483 8.793 1.00 0.00 H new ATOM 0 HB3 LEU A 104 15.432 1.729 10.360 1.00 0.00 H new ATOM 0 HG LEU A 104 17.748 0.960 8.595 1.00 0.00 H new ATOM 0 HD11 LEU A 104 19.099 2.680 9.764 1.00 0.00 H new ATOM 0 HD12 LEU A 104 17.799 3.413 8.796 1.00 0.00 H new ATOM 0 HD13 LEU A 104 17.627 3.281 10.562 1.00 0.00 H new ATOM 0 HD21 LEU A 104 18.812 0.472 10.768 1.00 0.00 H new ATOM 0 HD22 LEU A 104 17.336 1.010 11.604 1.00 0.00 H new ATOM 0 HD23 LEU A 104 17.292 -0.430 10.560 1.00 0.00 H new ATOM 1652 N GLU A 105 15.652 -1.924 9.062 1.00 0.00 N ATOM 1653 CA GLU A 105 15.706 -3.181 9.793 1.00 0.00 C ATOM 1654 C GLU A 105 17.121 -3.749 9.779 1.00 0.00 C ATOM 1655 O GLU A 105 17.788 -3.756 8.742 1.00 0.00 O ATOM 1656 CB GLU A 105 14.737 -4.195 9.172 1.00 0.00 C ATOM 1657 CG GLU A 105 14.688 -5.526 9.904 1.00 0.00 C ATOM 1658 CD GLU A 105 13.931 -6.589 9.134 1.00 0.00 C ATOM 1659 OE1 GLU A 105 12.701 -6.693 9.299 1.00 0.00 O ATOM 1660 OE2 GLU A 105 14.567 -7.330 8.357 1.00 0.00 O ATOM 0 H GLU A 105 16.055 -1.964 8.126 1.00 0.00 H new ATOM 0 HA GLU A 105 15.414 -2.990 10.826 1.00 0.00 H new ATOM 0 HB2 GLU A 105 13.736 -3.763 9.155 1.00 0.00 H new ATOM 0 HB3 GLU A 105 15.026 -4.371 8.136 1.00 0.00 H new ATOM 0 HG2 GLU A 105 15.705 -5.872 10.089 1.00 0.00 H new ATOM 0 HG3 GLU A 105 14.218 -5.384 10.877 1.00 0.00 H new ATOM 1667 N HIS A 106 17.584 -4.197 10.937 1.00 0.00 N ATOM 1668 CA HIS A 106 18.844 -4.919 11.028 1.00 0.00 C ATOM 1669 C HIS A 106 18.622 -6.288 11.658 1.00 0.00 C ATOM 1670 O HIS A 106 18.445 -6.400 12.873 1.00 0.00 O ATOM 1671 CB HIS A 106 19.884 -4.141 11.843 1.00 0.00 C ATOM 1672 CG HIS A 106 20.505 -2.986 11.116 1.00 0.00 C ATOM 1673 ND1 HIS A 106 21.483 -3.140 10.159 1.00 0.00 N ATOM 1674 CD2 HIS A 106 20.295 -1.655 11.223 1.00 0.00 C ATOM 1675 CE1 HIS A 106 21.848 -1.953 9.711 1.00 0.00 C ATOM 1676 NE2 HIS A 106 21.142 -1.034 10.339 1.00 0.00 N ATOM 0 H HIS A 106 17.104 -4.073 11.829 1.00 0.00 H new ATOM 0 HA HIS A 106 19.227 -5.039 10.015 1.00 0.00 H new ATOM 0 HB2 HIS A 106 19.411 -3.770 12.752 1.00 0.00 H new ATOM 0 HB3 HIS A 106 20.673 -4.827 12.151 1.00 0.00 H new ATOM 0 HD2 HIS A 106 19.591 -1.170 11.882 1.00 0.00 H new ATOM 0 HE1 HIS A 106 22.598 -1.766 8.957 1.00 0.00 H new ATOM 0 HE2 HIS A 106 21.213 -0.027 10.192 1.00 0.00 H new ATOM 1685 N HIS A 107 18.599 -7.319 10.828 1.00 0.00 N ATOM 1686 CA HIS A 107 18.507 -8.686 11.319 1.00 0.00 C ATOM 1687 C HIS A 107 19.847 -9.387 11.119 1.00 0.00 C ATOM 1688 O HIS A 107 20.469 -9.261 10.062 1.00 0.00 O ATOM 1689 CB HIS A 107 17.357 -9.461 10.638 1.00 0.00 C ATOM 1690 CG HIS A 107 17.467 -9.600 9.144 1.00 0.00 C ATOM 1691 ND1 HIS A 107 16.666 -8.914 8.257 1.00 0.00 N ATOM 1692 CD2 HIS A 107 18.278 -10.376 8.385 1.00 0.00 C ATOM 1693 CE1 HIS A 107 16.981 -9.261 7.023 1.00 0.00 C ATOM 1694 NE2 HIS A 107 17.959 -10.145 7.071 1.00 0.00 N ATOM 0 H HIS A 107 18.643 -7.236 9.812 1.00 0.00 H new ATOM 0 HA HIS A 107 18.276 -8.660 12.384 1.00 0.00 H new ATOM 0 HB2 HIS A 107 17.305 -10.458 11.076 1.00 0.00 H new ATOM 0 HB3 HIS A 107 16.417 -8.961 10.871 1.00 0.00 H new ATOM 0 HD1 HIS A 107 15.942 -8.243 8.514 1.00 0.00 H new ATOM 0 HD2 HIS A 107 19.037 -11.053 8.748 1.00 0.00 H new ATOM 0 HE1 HIS A 107 16.516 -8.884 6.124 1.00 0.00 H new ATOM 1703 N HIS A 108 20.302 -10.100 12.139 1.00 0.00 N ATOM 1704 CA HIS A 108 21.612 -10.743 12.096 1.00 0.00 C ATOM 1705 C HIS A 108 21.775 -11.699 13.272 1.00 0.00 C ATOM 1706 O HIS A 108 21.274 -11.440 14.366 1.00 0.00 O ATOM 1707 CB HIS A 108 22.720 -9.681 12.136 1.00 0.00 C ATOM 1708 CG HIS A 108 24.091 -10.208 11.829 1.00 0.00 C ATOM 1709 ND1 HIS A 108 24.991 -10.596 12.800 1.00 0.00 N ATOM 1710 CD2 HIS A 108 24.717 -10.396 10.644 1.00 0.00 C ATOM 1711 CE1 HIS A 108 26.108 -11.000 12.224 1.00 0.00 C ATOM 1712 NE2 HIS A 108 25.968 -10.889 10.917 1.00 0.00 N ATOM 0 H HIS A 108 19.786 -10.249 13.006 1.00 0.00 H new ATOM 0 HA HIS A 108 21.689 -11.310 11.168 1.00 0.00 H new ATOM 0 HB2 HIS A 108 22.478 -8.893 11.423 1.00 0.00 H new ATOM 0 HB3 HIS A 108 22.733 -9.223 13.125 1.00 0.00 H new ATOM 0 HD2 HIS A 108 24.308 -10.195 9.665 1.00 0.00 H new ATOM 0 HE1 HIS A 108 26.988 -11.360 12.736 1.00 0.00 H new ATOM 0 HE2 HIS A 108 26.675 -11.130 10.222 1.00 0.00 H new ATOM 1721 N HIS A 109 22.472 -12.804 13.040 1.00 0.00 N ATOM 1722 CA HIS A 109 22.770 -13.756 14.105 1.00 0.00 C ATOM 1723 C HIS A 109 24.085 -14.471 13.817 1.00 0.00 C ATOM 1724 O HIS A 109 24.501 -14.578 12.662 1.00 0.00 O ATOM 1725 CB HIS A 109 21.635 -14.778 14.280 1.00 0.00 C ATOM 1726 CG HIS A 109 21.404 -15.663 13.091 1.00 0.00 C ATOM 1727 ND1 HIS A 109 22.007 -16.894 12.937 1.00 0.00 N ATOM 1728 CD2 HIS A 109 20.623 -15.492 11.998 1.00 0.00 C ATOM 1729 CE1 HIS A 109 21.610 -17.435 11.801 1.00 0.00 C ATOM 1730 NE2 HIS A 109 20.770 -16.607 11.212 1.00 0.00 N ATOM 0 H HIS A 109 22.842 -13.064 12.126 1.00 0.00 H new ATOM 0 HA HIS A 109 22.862 -13.198 15.037 1.00 0.00 H new ATOM 0 HB2 HIS A 109 21.857 -15.404 15.145 1.00 0.00 H new ATOM 0 HB3 HIS A 109 20.712 -14.242 14.503 1.00 0.00 H new ATOM 0 HD2 HIS A 109 20.000 -14.636 11.784 1.00 0.00 H new ATOM 0 HE1 HIS A 109 21.921 -18.396 11.418 1.00 0.00 H new ATOM 0 HE2 HIS A 109 20.306 -16.769 10.318 1.00 0.00 H new ATOM 1739 N HIS A 110 24.731 -14.950 14.869 1.00 0.00 N ATOM 1740 CA HIS A 110 26.000 -15.659 14.743 1.00 0.00 C ATOM 1741 C HIS A 110 25.780 -17.110 14.349 1.00 0.00 C ATOM 1742 O HIS A 110 24.933 -17.793 14.922 1.00 0.00 O ATOM 1743 CB HIS A 110 26.785 -15.612 16.059 1.00 0.00 C ATOM 1744 CG HIS A 110 27.360 -14.272 16.385 1.00 0.00 C ATOM 1745 ND1 HIS A 110 28.639 -13.904 16.043 1.00 0.00 N ATOM 1746 CD2 HIS A 110 26.831 -13.215 17.039 1.00 0.00 C ATOM 1747 CE1 HIS A 110 28.873 -12.679 16.474 1.00 0.00 C ATOM 1748 NE2 HIS A 110 27.790 -12.238 17.083 1.00 0.00 N ATOM 0 H HIS A 110 24.396 -14.861 15.828 1.00 0.00 H new ATOM 0 HA HIS A 110 26.573 -15.159 13.962 1.00 0.00 H new ATOM 0 HB2 HIS A 110 26.127 -15.920 16.872 1.00 0.00 H new ATOM 0 HB3 HIS A 110 27.595 -16.340 16.012 1.00 0.00 H new ATOM 0 HD2 HIS A 110 25.835 -13.152 17.451 1.00 0.00 H new ATOM 0 HE1 HIS A 110 29.795 -12.131 16.349 1.00 0.00 H new ATOM 0 HE2 HIS A 110 27.684 -11.320 17.516 1.00 0.00 H new ATOM 1757 N HIS A 111 26.540 -17.558 13.358 1.00 0.00 N ATOM 1758 CA HIS A 111 26.556 -18.959 12.952 1.00 0.00 C ATOM 1759 C HIS A 111 27.529 -19.144 11.800 1.00 0.00 C ATOM 1760 O HIS A 111 28.684 -19.531 12.054 1.00 0.00 O ATOM 1761 CB HIS A 111 25.166 -19.455 12.536 1.00 0.00 C ATOM 1762 CG HIS A 111 25.127 -20.936 12.303 1.00 0.00 C ATOM 1763 ND1 HIS A 111 24.955 -21.503 11.062 1.00 0.00 N ATOM 1764 CD2 HIS A 111 25.262 -21.967 13.168 1.00 0.00 C ATOM 1765 CE1 HIS A 111 24.987 -22.816 11.174 1.00 0.00 C ATOM 1766 NE2 HIS A 111 25.175 -23.127 12.441 1.00 0.00 N ATOM 1767 OXT HIS A 111 27.140 -18.871 10.650 1.00 0.00 O ATOM 0 H HIS A 111 27.163 -16.962 12.813 1.00 0.00 H new ATOM 0 HA HIS A 111 26.873 -19.549 13.812 1.00 0.00 H new ATOM 0 HB2 HIS A 111 24.445 -19.194 13.310 1.00 0.00 H new ATOM 0 HB3 HIS A 111 24.858 -18.940 11.626 1.00 0.00 H new ATOM 0 HD2 HIS A 111 25.411 -21.891 14.235 1.00 0.00 H new ATOM 0 HE1 HIS A 111 24.877 -23.520 10.362 1.00 0.00 H new ATOM 0 HE2 HIS A 111 25.244 -24.072 12.818 1.00 0.00 H new TER 1776 HIS A 111