USER MOD reduce.3.24.130724 H: found=0, std=0, add=908, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 906 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 39 SER OG : rot 160:sc= -0.25 USER MOD Set 1.2: A 49 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.706) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 18 ASN : amide:sc= -4.54! C(o=-4.5!,f=-15!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 168:sc= -0.87 (180deg=-1.14) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -46:sc= 1.37 USER MOD Single : A 37 SER OG : rot -129:sc= -0.385 USER MOD Single : A 41 TYR OH : rot 151:sc= -0.674 USER MOD Single : A 42 LYS NZ :NH3+ 162:sc= -0.0813 (180deg=-0.377) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -136:sc= -1.2 (180deg=-2.4!) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HE2:sc= -10.1! C(o=-10!,f=-9.8!) USER MOD Single : A 78 ASN : amide:sc= -11.3! C(o=-11!,f=-26!) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0851 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN :FLIP amide:sc= -0.0102! F(o=-0.89,f=-0.01!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.727) USER MOD Single : A 90 GLN :FLIP amide:sc= -0.292 F(o=-3.4!,f=-0.29) USER MOD Single : A 95 CYS SG : rot -118:sc= -2.2! USER MOD Single : A 97 SER OG : rot 157:sc= 0.345 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 150:sc= 0.171 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot -38:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.446 29.506 1.274 1.00 0.00 N ATOM 2 CA GLY A 1 15.354 28.300 2.077 1.00 0.00 C ATOM 3 C GLY A 1 13.920 27.898 2.357 1.00 0.00 C ATOM 4 O GLY A 1 13.276 28.450 3.249 1.00 0.00 O ATOM 0 H1 GLY A 1 16.446 29.739 1.110 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.973 29.352 0.361 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.985 30.292 1.775 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.863 27.485 1.562 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.876 28.455 3.021 1.00 0.00 H new ATOM 8 N SER A 2 13.417 26.935 1.591 1.00 0.00 N ATOM 9 CA SER A 2 12.047 26.462 1.757 1.00 0.00 C ATOM 10 C SER A 2 11.936 25.532 2.961 1.00 0.00 C ATOM 11 O SER A 2 12.907 24.883 3.350 1.00 0.00 O ATOM 12 CB SER A 2 11.578 25.739 0.494 1.00 0.00 C ATOM 13 OG SER A 2 12.325 24.555 0.276 1.00 0.00 O ATOM 0 H SER A 2 13.938 26.467 0.849 1.00 0.00 H new ATOM 0 HA SER A 2 11.408 27.328 1.929 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.520 25.494 0.584 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.680 26.400 -0.366 1.00 0.00 H new ATOM 0 HG SER A 2 12.004 24.111 -0.537 1.00 0.00 H new ATOM 19 N SER A 3 10.744 25.472 3.547 1.00 0.00 N ATOM 20 CA SER A 3 10.505 24.624 4.708 1.00 0.00 C ATOM 21 C SER A 3 10.799 23.162 4.384 1.00 0.00 C ATOM 22 O SER A 3 9.952 22.451 3.845 1.00 0.00 O ATOM 23 CB SER A 3 9.058 24.771 5.185 1.00 0.00 C ATOM 24 OG SER A 3 8.803 26.088 5.639 1.00 0.00 O ATOM 0 H SER A 3 9.929 26.001 3.236 1.00 0.00 H new ATOM 0 HA SER A 3 11.177 24.944 5.504 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.376 24.525 4.371 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.863 24.061 5.989 1.00 0.00 H new ATOM 0 HG SER A 3 7.872 26.157 5.937 1.00 0.00 H new ATOM 30 N GLY A 4 12.009 22.721 4.717 1.00 0.00 N ATOM 31 CA GLY A 4 12.395 21.347 4.454 1.00 0.00 C ATOM 32 C GLY A 4 12.707 21.102 2.991 1.00 0.00 C ATOM 33 O GLY A 4 12.317 21.887 2.127 1.00 0.00 O ATOM 0 H GLY A 4 12.728 23.290 5.164 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.269 21.097 5.055 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.591 20.681 4.767 1.00 0.00 H new ATOM 37 N SER A 5 13.413 20.011 2.712 1.00 0.00 N ATOM 38 CA SER A 5 13.782 19.668 1.344 1.00 0.00 C ATOM 39 C SER A 5 13.250 18.288 0.968 1.00 0.00 C ATOM 40 O SER A 5 12.633 18.114 -0.083 1.00 0.00 O ATOM 41 CB SER A 5 15.302 19.703 1.179 1.00 0.00 C ATOM 42 OG SER A 5 15.671 19.577 -0.183 1.00 0.00 O ATOM 0 H SER A 5 13.741 19.349 3.416 1.00 0.00 H new ATOM 0 HA SER A 5 13.335 20.405 0.677 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.693 20.638 1.580 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.752 18.896 1.757 1.00 0.00 H new ATOM 0 HG SER A 5 16.648 19.604 -0.261 1.00 0.00 H new ATOM 48 N SER A 6 13.496 17.310 1.834 1.00 0.00 N ATOM 49 CA SER A 6 13.046 15.944 1.592 1.00 0.00 C ATOM 50 C SER A 6 12.816 15.207 2.907 1.00 0.00 C ATOM 51 O SER A 6 13.483 15.473 3.906 1.00 0.00 O ATOM 52 CB SER A 6 14.072 15.190 0.743 1.00 0.00 C ATOM 53 OG SER A 6 13.505 14.019 0.180 1.00 0.00 O ATOM 0 H SER A 6 14.004 17.438 2.709 1.00 0.00 H new ATOM 0 HA SER A 6 12.101 15.989 1.051 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.438 15.839 -0.052 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.932 14.923 1.358 1.00 0.00 H new ATOM 0 HG SER A 6 14.179 13.556 -0.359 1.00 0.00 H new ATOM 59 N GLY A 7 11.866 14.276 2.899 1.00 0.00 N ATOM 60 CA GLY A 7 11.564 13.514 4.097 1.00 0.00 C ATOM 61 C GLY A 7 10.238 12.786 4.002 1.00 0.00 C ATOM 62 O GLY A 7 9.521 12.914 3.009 1.00 0.00 O ATOM 0 H GLY A 7 11.301 14.036 2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.360 12.791 4.274 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.546 14.185 4.956 1.00 0.00 H new ATOM 66 N VAL A 8 9.912 12.017 5.035 1.00 0.00 N ATOM 67 CA VAL A 8 8.663 11.264 5.064 1.00 0.00 C ATOM 68 C VAL A 8 7.514 12.084 4.489 1.00 0.00 C ATOM 69 O VAL A 8 7.399 13.281 4.754 1.00 0.00 O ATOM 70 CB VAL A 8 8.302 10.830 6.497 1.00 0.00 C ATOM 71 CG1 VAL A 8 6.954 10.126 6.518 1.00 0.00 C ATOM 72 CG2 VAL A 8 9.390 9.935 7.072 1.00 0.00 C ATOM 0 H VAL A 8 10.495 11.898 5.863 1.00 0.00 H new ATOM 0 HA VAL A 8 8.815 10.376 4.451 1.00 0.00 H new ATOM 0 HB VAL A 8 8.229 11.721 7.121 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.716 9.827 7.539 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.184 10.804 6.149 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.995 9.242 5.881 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.119 9.638 8.085 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.497 9.047 6.449 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.334 10.479 7.094 1.00 0.00 H new ATOM 82 N ILE A 9 6.665 11.432 3.701 1.00 0.00 N ATOM 83 CA ILE A 9 5.524 12.101 3.090 1.00 0.00 C ATOM 84 C ILE A 9 4.235 11.785 3.841 1.00 0.00 C ATOM 85 O ILE A 9 3.312 12.600 3.881 1.00 0.00 O ATOM 86 CB ILE A 9 5.357 11.694 1.614 1.00 0.00 C ATOM 87 CG1 ILE A 9 6.580 12.126 0.802 1.00 0.00 C ATOM 88 CG2 ILE A 9 4.089 12.304 1.036 1.00 0.00 C ATOM 89 CD1 ILE A 9 6.589 11.585 -0.611 1.00 0.00 C ATOM 0 H ILE A 9 6.746 10.442 3.471 1.00 0.00 H new ATOM 0 HA ILE A 9 5.720 13.172 3.143 1.00 0.00 H new ATOM 0 HB ILE A 9 5.272 10.609 1.559 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.616 13.215 0.766 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.483 11.794 1.315 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.985 12.007 -0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.226 11.952 1.601 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.146 13.391 1.100 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.484 11.931 -1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.585 10.495 -0.583 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.705 11.938 -1.141 1.00 0.00 H new ATOM 101 N ARG A 10 4.179 10.598 4.436 1.00 0.00 N ATOM 102 CA ARG A 10 3.003 10.175 5.187 1.00 0.00 C ATOM 103 C ARG A 10 3.308 8.932 6.019 1.00 0.00 C ATOM 104 O ARG A 10 4.061 8.057 5.592 1.00 0.00 O ATOM 105 CB ARG A 10 1.839 9.892 4.236 1.00 0.00 C ATOM 106 CG ARG A 10 0.513 9.671 4.945 1.00 0.00 C ATOM 107 CD ARG A 10 -0.246 10.976 5.129 1.00 0.00 C ATOM 108 NE ARG A 10 0.097 11.636 6.386 1.00 0.00 N ATOM 109 CZ ARG A 10 -0.675 12.542 6.974 1.00 0.00 C ATOM 110 NH1 ARG A 10 -1.829 12.894 6.422 1.00 0.00 N ATOM 111 NH2 ARG A 10 -0.295 13.099 8.117 1.00 0.00 N ATOM 0 H ARG A 10 4.934 9.912 4.413 1.00 0.00 H new ATOM 0 HA ARG A 10 2.723 10.984 5.862 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.736 10.727 3.543 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.074 9.010 3.640 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.096 8.973 4.370 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.691 9.213 5.918 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.025 11.644 4.297 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.318 10.779 5.104 1.00 0.00 H new ATOM 0 HE ARG A 10 0.978 11.387 6.837 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.125 12.468 5.544 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.420 13.590 6.876 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.591 12.831 8.545 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.889 13.795 8.568 1.00 0.00 H new ATOM 125 N ARG A 11 2.718 8.863 7.208 1.00 0.00 N ATOM 126 CA ARG A 11 2.927 7.730 8.100 1.00 0.00 C ATOM 127 C ARG A 11 1.622 7.323 8.778 1.00 0.00 C ATOM 128 O ARG A 11 0.730 8.146 8.974 1.00 0.00 O ATOM 129 CB ARG A 11 3.978 8.073 9.157 1.00 0.00 C ATOM 130 CG ARG A 11 5.401 8.082 8.622 1.00 0.00 C ATOM 131 CD ARG A 11 6.403 7.697 9.698 1.00 0.00 C ATOM 132 NE ARG A 11 7.776 7.992 9.298 1.00 0.00 N ATOM 133 CZ ARG A 11 8.836 7.719 10.051 1.00 0.00 C ATOM 134 NH1 ARG A 11 8.681 7.147 11.237 1.00 0.00 N ATOM 135 NH2 ARG A 11 10.054 8.017 9.617 1.00 0.00 N ATOM 0 H ARG A 11 2.091 9.579 7.575 1.00 0.00 H new ATOM 0 HA ARG A 11 3.283 6.891 7.503 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.751 9.052 9.578 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.910 7.352 9.972 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.480 7.389 7.785 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.640 9.074 8.239 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.170 8.233 10.618 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.310 6.633 9.916 1.00 0.00 H new ATOM 0 HE ARG A 11 7.930 8.432 8.391 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.746 6.915 11.573 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.496 6.938 11.813 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.177 8.456 8.705 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.867 7.807 10.196 1.00 0.00 H new ATOM 149 N GLY A 12 1.519 6.045 9.133 1.00 0.00 N ATOM 150 CA GLY A 12 0.320 5.551 9.784 1.00 0.00 C ATOM 151 C GLY A 12 0.270 4.037 9.836 1.00 0.00 C ATOM 152 O GLY A 12 1.107 3.361 9.237 1.00 0.00 O ATOM 0 H GLY A 12 2.244 5.344 8.981 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.271 5.948 10.798 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.557 5.922 9.254 1.00 0.00 H new ATOM 156 N TRP A 13 -0.711 3.503 10.554 1.00 0.00 N ATOM 157 CA TRP A 13 -0.865 2.059 10.683 1.00 0.00 C ATOM 158 C TRP A 13 -1.960 1.543 9.755 1.00 0.00 C ATOM 159 O TRP A 13 -3.145 1.793 9.977 1.00 0.00 O ATOM 160 CB TRP A 13 -1.190 1.687 12.131 1.00 0.00 C ATOM 161 CG TRP A 13 -0.039 1.891 13.069 1.00 0.00 C ATOM 162 CD1 TRP A 13 0.372 3.073 13.616 1.00 0.00 C ATOM 163 CD2 TRP A 13 0.850 0.885 13.567 1.00 0.00 C ATOM 164 NE1 TRP A 13 1.463 2.862 14.425 1.00 0.00 N ATOM 165 CE2 TRP A 13 1.775 1.528 14.412 1.00 0.00 C ATOM 166 CE3 TRP A 13 0.953 -0.496 13.383 1.00 0.00 C ATOM 167 CZ2 TRP A 13 2.789 0.836 15.069 1.00 0.00 C ATOM 168 CZ3 TRP A 13 1.960 -1.182 14.035 1.00 0.00 C ATOM 169 CH2 TRP A 13 2.866 -0.516 14.871 1.00 0.00 C ATOM 0 H TRP A 13 -1.412 4.048 11.056 1.00 0.00 H new ATOM 0 HA TRP A 13 0.077 1.592 10.398 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.036 2.284 12.471 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.500 0.643 12.170 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -0.092 4.032 13.439 1.00 0.00 H new ATOM 0 HE1 TRP A 13 1.960 3.582 14.950 1.00 0.00 H new ATOM 0 HE3 TRP A 13 0.258 -1.018 12.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.490 1.348 15.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.050 -2.249 13.898 1.00 0.00 H new ATOM 0 HH2 TRP A 13 3.640 -1.081 15.369 1.00 0.00 H new ATOM 180 N LEU A 14 -1.556 0.821 8.715 1.00 0.00 N ATOM 181 CA LEU A 14 -2.504 0.269 7.753 1.00 0.00 C ATOM 182 C LEU A 14 -2.580 -1.249 7.874 1.00 0.00 C ATOM 183 O LEU A 14 -1.770 -1.870 8.563 1.00 0.00 O ATOM 184 CB LEU A 14 -2.101 0.659 6.330 1.00 0.00 C ATOM 185 CG LEU A 14 -2.602 2.018 5.839 1.00 0.00 C ATOM 186 CD1 LEU A 14 -1.901 2.410 4.548 1.00 0.00 C ATOM 187 CD2 LEU A 14 -4.111 1.991 5.643 1.00 0.00 C ATOM 0 H LEU A 14 -0.579 0.604 8.517 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.489 0.682 7.972 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.013 0.651 6.267 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.466 -0.109 5.647 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.368 2.766 6.597 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.270 3.380 4.213 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.827 2.471 4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.103 1.661 3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.450 2.966 5.293 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.369 1.231 4.905 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.597 1.756 6.590 1.00 0.00 H new ATOM 199 N THR A 15 -3.559 -1.843 7.198 1.00 0.00 N ATOM 200 CA THR A 15 -3.741 -3.289 7.229 1.00 0.00 C ATOM 201 C THR A 15 -3.812 -3.864 5.819 1.00 0.00 C ATOM 202 O THR A 15 -4.685 -3.497 5.032 1.00 0.00 O ATOM 203 CB THR A 15 -5.020 -3.678 7.995 1.00 0.00 C ATOM 204 OG1 THR A 15 -4.951 -3.194 9.341 1.00 0.00 O ATOM 205 CG2 THR A 15 -5.208 -5.188 8.002 1.00 0.00 C ATOM 0 H THR A 15 -4.238 -1.345 6.622 1.00 0.00 H new ATOM 0 HA THR A 15 -2.876 -3.706 7.745 1.00 0.00 H new ATOM 0 HB THR A 15 -5.872 -3.224 7.490 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.768 -3.444 9.821 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.117 -5.439 8.548 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.289 -5.549 6.977 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.352 -5.659 8.486 1.00 0.00 H new ATOM 213 N ILE A 16 -2.889 -4.767 5.506 1.00 0.00 N ATOM 214 CA ILE A 16 -2.849 -5.394 4.191 1.00 0.00 C ATOM 215 C ILE A 16 -3.949 -6.440 4.047 1.00 0.00 C ATOM 216 O ILE A 16 -3.970 -7.437 4.767 1.00 0.00 O ATOM 217 CB ILE A 16 -1.485 -6.060 3.926 1.00 0.00 C ATOM 218 CG1 ILE A 16 -0.364 -5.021 3.996 1.00 0.00 C ATOM 219 CG2 ILE A 16 -1.489 -6.754 2.572 1.00 0.00 C ATOM 220 CD1 ILE A 16 1.022 -5.626 3.972 1.00 0.00 C ATOM 0 H ILE A 16 -2.159 -5.081 6.145 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.006 -4.602 3.459 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.307 -6.811 4.696 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.465 -4.332 3.158 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.480 -4.434 4.907 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.519 -7.220 2.399 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.266 -7.518 2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.685 -6.022 1.789 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.767 -4.832 4.025 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.142 -6.293 4.825 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.157 -6.189 3.049 1.00 0.00 H new ATOM 232 N ASN A 17 -4.862 -6.205 3.109 1.00 0.00 N ATOM 233 CA ASN A 17 -5.965 -7.128 2.869 1.00 0.00 C ATOM 234 C ASN A 17 -5.474 -8.395 2.175 1.00 0.00 C ATOM 235 O ASN A 17 -5.610 -9.497 2.705 1.00 0.00 O ATOM 236 CB ASN A 17 -7.045 -6.454 2.020 1.00 0.00 C ATOM 237 CG ASN A 17 -8.431 -6.995 2.312 1.00 0.00 C ATOM 238 OD1 ASN A 17 -8.582 -8.102 2.828 1.00 0.00 O ATOM 239 ND2 ASN A 17 -9.453 -6.213 1.982 1.00 0.00 N ATOM 0 H ASN A 17 -4.859 -5.384 2.504 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.390 -7.405 3.834 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.031 -5.380 2.205 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.816 -6.599 0.964 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.409 -6.523 2.155 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.281 -5.302 1.556 1.00 0.00 H new ATOM 246 N ASN A 18 -4.902 -8.229 0.987 1.00 0.00 N ATOM 247 CA ASN A 18 -4.390 -9.359 0.221 1.00 0.00 C ATOM 248 C ASN A 18 -3.821 -10.430 1.145 1.00 0.00 C ATOM 249 O ASN A 18 -4.405 -11.503 1.302 1.00 0.00 O ATOM 250 CB ASN A 18 -3.312 -8.891 -0.759 1.00 0.00 C ATOM 251 CG ASN A 18 -3.887 -8.498 -2.107 1.00 0.00 C ATOM 252 OD1 ASN A 18 -4.763 -7.638 -2.194 1.00 0.00 O ATOM 253 ND2 ASN A 18 -3.395 -9.130 -3.166 1.00 0.00 N ATOM 0 H ASN A 18 -4.781 -7.323 0.534 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.219 -9.791 -0.339 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.781 -8.040 -0.332 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.580 -9.687 -0.897 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.743 -8.909 -4.099 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.669 -9.836 -3.047 1.00 0.00 H new ATOM 260 N ILE A 19 -2.679 -10.132 1.756 1.00 0.00 N ATOM 261 CA ILE A 19 -2.033 -11.069 2.666 1.00 0.00 C ATOM 262 C ILE A 19 -3.047 -11.708 3.609 1.00 0.00 C ATOM 263 O ILE A 19 -4.065 -11.103 3.944 1.00 0.00 O ATOM 264 CB ILE A 19 -0.938 -10.378 3.501 1.00 0.00 C ATOM 265 CG1 ILE A 19 0.007 -11.420 4.104 1.00 0.00 C ATOM 266 CG2 ILE A 19 -1.564 -9.526 4.595 1.00 0.00 C ATOM 267 CD1 ILE A 19 1.195 -10.815 4.820 1.00 0.00 C ATOM 0 H ILE A 19 -2.182 -9.249 1.637 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.576 -11.843 2.049 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.360 -9.726 2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.550 -12.043 4.804 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.366 -12.075 3.311 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.777 -9.045 5.176 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.200 -8.764 4.144 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.164 -10.158 5.250 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.822 -11.611 5.222 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.776 -10.215 4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.845 -10.182 5.635 1.00 0.00 H new ATOM 279 N SER A 20 -2.760 -12.934 4.034 1.00 0.00 N ATOM 280 CA SER A 20 -3.648 -13.657 4.937 1.00 0.00 C ATOM 281 C SER A 20 -2.920 -14.824 5.597 1.00 0.00 C ATOM 282 O SER A 20 -2.281 -15.633 4.923 1.00 0.00 O ATOM 283 CB SER A 20 -4.874 -14.170 4.179 1.00 0.00 C ATOM 284 OG SER A 20 -5.687 -14.979 5.011 1.00 0.00 O ATOM 0 H SER A 20 -1.920 -13.447 3.768 1.00 0.00 H new ATOM 0 HA SER A 20 -3.973 -12.967 5.716 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.455 -13.326 3.808 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.554 -14.744 3.309 1.00 0.00 H new ATOM 0 HG SER A 20 -6.464 -15.293 4.503 1.00 0.00 H new ATOM 290 N LEU A 21 -3.020 -14.905 6.919 1.00 0.00 N ATOM 291 CA LEU A 21 -2.371 -15.973 7.672 1.00 0.00 C ATOM 292 C LEU A 21 -3.369 -17.068 8.033 1.00 0.00 C ATOM 293 O LEU A 21 -4.580 -16.850 8.013 1.00 0.00 O ATOM 294 CB LEU A 21 -1.731 -15.411 8.942 1.00 0.00 C ATOM 295 CG LEU A 21 -0.486 -16.142 9.446 1.00 0.00 C ATOM 296 CD1 LEU A 21 0.631 -16.066 8.416 1.00 0.00 C ATOM 297 CD2 LEU A 21 -0.028 -15.562 10.776 1.00 0.00 C ATOM 0 H LEU A 21 -3.544 -14.244 7.492 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.594 -16.408 7.043 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.468 -14.369 8.762 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.478 -15.418 9.735 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.741 -17.191 9.599 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.509 -16.592 8.792 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.301 -16.530 7.486 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.885 -15.022 8.231 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.859 -16.095 11.119 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.209 -14.506 10.650 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.824 -15.670 11.513 1.00 0.00 H new ATOM 309 N MET A 22 -2.852 -18.247 8.365 1.00 0.00 N ATOM 310 CA MET A 22 -3.698 -19.376 8.734 1.00 0.00 C ATOM 311 C MET A 22 -4.623 -19.006 9.889 1.00 0.00 C ATOM 312 O MET A 22 -5.834 -19.219 9.821 1.00 0.00 O ATOM 313 CB MET A 22 -2.838 -20.581 9.119 1.00 0.00 C ATOM 314 CG MET A 22 -3.632 -21.867 9.281 1.00 0.00 C ATOM 315 SD MET A 22 -4.339 -22.447 7.727 1.00 0.00 S ATOM 316 CE MET A 22 -6.086 -22.417 8.118 1.00 0.00 C ATOM 0 H MET A 22 -1.852 -18.445 8.386 1.00 0.00 H new ATOM 0 HA MET A 22 -4.310 -19.638 7.871 1.00 0.00 H new ATOM 0 HB2 MET A 22 -2.073 -20.729 8.357 1.00 0.00 H new ATOM 0 HB3 MET A 22 -2.320 -20.364 10.053 1.00 0.00 H new ATOM 0 HG2 MET A 22 -2.983 -22.641 9.692 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.433 -21.706 10.003 1.00 0.00 H new ATOM 0 HE1 MET A 22 -6.658 -22.751 7.252 1.00 0.00 H new ATOM 0 HE2 MET A 22 -6.282 -23.081 8.960 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.383 -21.401 8.380 1.00 0.00 H new ATOM 326 N LYS A 23 -4.046 -18.453 10.950 1.00 0.00 N ATOM 327 CA LYS A 23 -4.818 -18.053 12.121 1.00 0.00 C ATOM 328 C LYS A 23 -5.647 -16.807 11.826 1.00 0.00 C ATOM 329 O LYS A 23 -5.385 -16.089 10.862 1.00 0.00 O ATOM 330 CB LYS A 23 -3.886 -17.790 13.306 1.00 0.00 C ATOM 331 CG LYS A 23 -3.304 -19.054 13.914 1.00 0.00 C ATOM 332 CD LYS A 23 -4.328 -19.785 14.767 1.00 0.00 C ATOM 333 CE LYS A 23 -4.525 -19.101 16.111 1.00 0.00 C ATOM 334 NZ LYS A 23 -3.469 -19.484 17.088 1.00 0.00 N ATOM 0 H LYS A 23 -3.045 -18.271 11.023 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.496 -18.868 12.374 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.070 -17.145 12.980 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.434 -17.246 14.075 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.954 -19.713 13.120 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.437 -18.800 14.523 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.280 -19.829 14.237 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.004 -20.813 14.925 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.517 -18.020 15.973 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.504 -19.364 16.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.639 -18.997 17.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.493 -20.513 17.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.537 -19.210 16.717 1.00 0.00 H new ATOM 348 N GLY A 24 -6.649 -16.556 12.664 1.00 0.00 N ATOM 349 CA GLY A 24 -7.500 -15.395 12.476 1.00 0.00 C ATOM 350 C GLY A 24 -7.088 -14.227 13.350 1.00 0.00 C ATOM 351 O GLY A 24 -7.666 -14.003 14.412 1.00 0.00 O ATOM 0 H GLY A 24 -6.886 -17.136 13.469 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.469 -15.091 11.430 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.532 -15.665 12.699 1.00 0.00 H new ATOM 355 N GLY A 25 -6.082 -13.481 12.902 1.00 0.00 N ATOM 356 CA GLY A 25 -5.609 -12.339 13.663 1.00 0.00 C ATOM 357 C GLY A 25 -5.644 -11.053 12.862 1.00 0.00 C ATOM 358 O GLY A 25 -6.584 -10.810 12.105 1.00 0.00 O ATOM 0 H GLY A 25 -5.587 -13.647 12.026 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.222 -12.223 14.557 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.589 -12.527 13.998 1.00 0.00 H new ATOM 362 N SER A 26 -4.617 -10.226 13.029 1.00 0.00 N ATOM 363 CA SER A 26 -4.537 -8.954 12.319 1.00 0.00 C ATOM 364 C SER A 26 -3.266 -8.881 11.478 1.00 0.00 C ATOM 365 O SER A 26 -2.241 -9.466 11.828 1.00 0.00 O ATOM 366 CB SER A 26 -4.574 -7.789 13.311 1.00 0.00 C ATOM 367 OG SER A 26 -5.016 -6.599 12.682 1.00 0.00 O ATOM 0 H SER A 26 -3.829 -10.413 13.649 1.00 0.00 H new ATOM 0 HA SER A 26 -5.397 -8.882 11.653 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.238 -8.034 14.140 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.581 -7.634 13.733 1.00 0.00 H new ATOM 0 HG SER A 26 -5.033 -5.870 13.337 1.00 0.00 H new ATOM 373 N LYS A 27 -3.341 -8.158 10.366 1.00 0.00 N ATOM 374 CA LYS A 27 -2.198 -8.005 9.474 1.00 0.00 C ATOM 375 C LYS A 27 -1.843 -6.533 9.292 1.00 0.00 C ATOM 376 O LYS A 27 -1.710 -6.052 8.167 1.00 0.00 O ATOM 377 CB LYS A 27 -2.498 -8.640 8.114 1.00 0.00 C ATOM 378 CG LYS A 27 -2.850 -10.116 8.196 1.00 0.00 C ATOM 379 CD LYS A 27 -4.276 -10.323 8.676 1.00 0.00 C ATOM 380 CE LYS A 27 -4.786 -11.713 8.325 1.00 0.00 C ATOM 381 NZ LYS A 27 -4.060 -12.775 9.075 1.00 0.00 N ATOM 0 H LYS A 27 -4.182 -7.668 10.061 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.346 -8.513 9.926 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.324 -8.104 7.646 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.630 -8.517 7.466 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.725 -10.576 7.216 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.160 -10.618 8.874 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.322 -10.179 9.755 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.925 -9.572 8.226 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.851 -11.776 8.546 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.672 -11.882 7.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.561 -13.680 8.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.095 -12.868 8.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.016 -12.520 10.082 1.00 0.00 H new ATOM 395 N GLU A 28 -1.690 -5.823 10.405 1.00 0.00 N ATOM 396 CA GLU A 28 -1.350 -4.406 10.367 1.00 0.00 C ATOM 397 C GLU A 28 0.154 -4.212 10.197 1.00 0.00 C ATOM 398 O GLU A 28 0.948 -5.079 10.564 1.00 0.00 O ATOM 399 CB GLU A 28 -1.824 -3.710 11.644 1.00 0.00 C ATOM 400 CG GLU A 28 -1.098 -4.173 12.895 1.00 0.00 C ATOM 401 CD GLU A 28 -1.779 -5.353 13.561 1.00 0.00 C ATOM 402 OE1 GLU A 28 -1.635 -6.485 13.053 1.00 0.00 O ATOM 403 OE2 GLU A 28 -2.456 -5.146 14.590 1.00 0.00 O ATOM 0 H GLU A 28 -1.796 -6.206 11.344 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.856 -3.960 9.510 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.689 -2.634 11.533 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.893 -3.886 11.768 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.075 -4.447 12.637 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.038 -3.346 13.603 1.00 0.00 H new ATOM 410 N TYR A 29 0.538 -3.069 9.639 1.00 0.00 N ATOM 411 CA TYR A 29 1.947 -2.762 9.418 1.00 0.00 C ATOM 412 C TYR A 29 2.170 -1.255 9.345 1.00 0.00 C ATOM 413 O TYR A 29 1.375 -0.526 8.751 1.00 0.00 O ATOM 414 CB TYR A 29 2.439 -3.425 8.131 1.00 0.00 C ATOM 415 CG TYR A 29 2.603 -4.924 8.246 1.00 0.00 C ATOM 416 CD1 TYR A 29 3.755 -5.477 8.790 1.00 0.00 C ATOM 417 CD2 TYR A 29 1.604 -5.787 7.811 1.00 0.00 C ATOM 418 CE1 TYR A 29 3.909 -6.846 8.896 1.00 0.00 C ATOM 419 CE2 TYR A 29 1.749 -7.157 7.915 1.00 0.00 C ATOM 420 CZ TYR A 29 2.904 -7.681 8.458 1.00 0.00 C ATOM 421 OH TYR A 29 3.053 -9.045 8.563 1.00 0.00 O ATOM 0 H TYR A 29 -0.106 -2.340 9.332 1.00 0.00 H new ATOM 0 HA TYR A 29 2.516 -3.155 10.261 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.736 -3.206 7.328 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.395 -2.984 7.848 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.544 -4.826 9.136 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.699 -5.380 7.385 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.812 -7.259 9.320 1.00 0.00 H new ATOM 0 HE2 TYR A 29 0.963 -7.814 7.573 1.00 0.00 H new ATOM 0 HH TYR A 29 2.254 -9.489 8.210 1.00 0.00 H new ATOM 431 N TRP A 30 3.258 -0.795 9.953 1.00 0.00 N ATOM 432 CA TRP A 30 3.588 0.626 9.957 1.00 0.00 C ATOM 433 C TRP A 30 4.058 1.079 8.579 1.00 0.00 C ATOM 434 O TRP A 30 5.235 0.955 8.242 1.00 0.00 O ATOM 435 CB TRP A 30 4.669 0.916 10.999 1.00 0.00 C ATOM 436 CG TRP A 30 5.094 2.353 11.029 1.00 0.00 C ATOM 437 CD1 TRP A 30 6.277 2.867 10.580 1.00 0.00 C ATOM 438 CD2 TRP A 30 4.341 3.460 11.536 1.00 0.00 C ATOM 439 NE1 TRP A 30 6.305 4.227 10.777 1.00 0.00 N ATOM 440 CE2 TRP A 30 5.128 4.615 11.361 1.00 0.00 C ATOM 441 CE3 TRP A 30 3.077 3.588 12.118 1.00 0.00 C ATOM 442 CZ2 TRP A 30 4.692 5.878 11.750 1.00 0.00 C ATOM 443 CZ3 TRP A 30 2.645 4.843 12.504 1.00 0.00 C ATOM 444 CH2 TRP A 30 3.450 5.975 12.318 1.00 0.00 C ATOM 0 H TRP A 30 3.926 -1.385 10.449 1.00 0.00 H new ATOM 0 HA TRP A 30 2.687 1.183 10.214 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.299 0.633 11.984 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.538 0.291 10.794 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.074 2.289 10.135 1.00 0.00 H new ATOM 0 HE1 TRP A 30 7.076 4.846 10.529 1.00 0.00 H new ATOM 0 HE3 TRP A 30 2.449 2.722 12.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.312 6.751 11.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.671 4.953 12.957 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.084 6.942 12.629 1.00 0.00 H new ATOM 455 N PHE A 31 3.130 1.605 7.786 1.00 0.00 N ATOM 456 CA PHE A 31 3.450 2.076 6.443 1.00 0.00 C ATOM 457 C PHE A 31 4.038 3.484 6.487 1.00 0.00 C ATOM 458 O PHE A 31 3.488 4.379 7.129 1.00 0.00 O ATOM 459 CB PHE A 31 2.199 2.061 5.563 1.00 0.00 C ATOM 460 CG PHE A 31 1.910 0.718 4.956 1.00 0.00 C ATOM 461 CD1 PHE A 31 1.184 -0.232 5.657 1.00 0.00 C ATOM 462 CD2 PHE A 31 2.362 0.405 3.685 1.00 0.00 C ATOM 463 CE1 PHE A 31 0.917 -1.469 5.102 1.00 0.00 C ATOM 464 CE2 PHE A 31 2.098 -0.830 3.124 1.00 0.00 C ATOM 465 CZ PHE A 31 1.373 -1.768 3.833 1.00 0.00 C ATOM 0 H PHE A 31 2.151 1.716 8.050 1.00 0.00 H new ATOM 0 HA PHE A 31 4.194 1.403 6.016 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.342 2.374 6.159 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.317 2.794 4.765 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.823 -0.003 6.649 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.928 1.135 3.125 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.352 -2.201 5.660 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.458 -1.062 2.132 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.163 -2.733 3.396 1.00 0.00 H new ATOM 475 N VAL A 32 5.160 3.672 5.799 1.00 0.00 N ATOM 476 CA VAL A 32 5.823 4.970 5.758 1.00 0.00 C ATOM 477 C VAL A 32 6.139 5.380 4.324 1.00 0.00 C ATOM 478 O VAL A 32 7.142 4.952 3.751 1.00 0.00 O ATOM 479 CB VAL A 32 7.127 4.960 6.577 1.00 0.00 C ATOM 480 CG1 VAL A 32 7.825 6.308 6.487 1.00 0.00 C ATOM 481 CG2 VAL A 32 6.843 4.593 8.026 1.00 0.00 C ATOM 0 H VAL A 32 5.629 2.942 5.263 1.00 0.00 H new ATOM 0 HA VAL A 32 5.134 5.692 6.196 1.00 0.00 H new ATOM 0 HB VAL A 32 7.792 4.205 6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.744 6.281 7.072 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.064 6.525 5.446 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.168 7.085 6.879 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.776 4.591 8.590 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.159 5.323 8.459 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.391 3.602 8.068 1.00 0.00 H new ATOM 491 N LEU A 33 5.278 6.212 3.749 1.00 0.00 N ATOM 492 CA LEU A 33 5.466 6.682 2.381 1.00 0.00 C ATOM 493 C LEU A 33 6.496 7.806 2.327 1.00 0.00 C ATOM 494 O LEU A 33 6.253 8.910 2.816 1.00 0.00 O ATOM 495 CB LEU A 33 4.136 7.165 1.800 1.00 0.00 C ATOM 496 CG LEU A 33 4.207 7.840 0.430 1.00 0.00 C ATOM 497 CD1 LEU A 33 4.503 6.816 -0.655 1.00 0.00 C ATOM 498 CD2 LEU A 33 2.911 8.578 0.130 1.00 0.00 C ATOM 0 H LEU A 33 4.443 6.575 4.209 1.00 0.00 H new ATOM 0 HA LEU A 33 5.835 5.848 1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.463 6.311 1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.688 7.865 2.505 1.00 0.00 H new ATOM 0 HG LEU A 33 5.019 8.567 0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.550 7.315 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.458 6.333 -0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.713 6.065 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.980 9.052 -0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.081 7.872 0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.742 9.340 0.891 1.00 0.00 H new ATOM 510 N THR A 34 7.647 7.519 1.728 1.00 0.00 N ATOM 511 CA THR A 34 8.713 8.505 1.609 1.00 0.00 C ATOM 512 C THR A 34 8.973 8.861 0.149 1.00 0.00 C ATOM 513 O THR A 34 8.600 8.116 -0.757 1.00 0.00 O ATOM 514 CB THR A 34 10.022 7.996 2.241 1.00 0.00 C ATOM 515 OG1 THR A 34 10.540 6.899 1.480 1.00 0.00 O ATOM 516 CG2 THR A 34 9.793 7.558 3.680 1.00 0.00 C ATOM 0 H THR A 34 7.865 6.611 1.317 1.00 0.00 H new ATOM 0 HA THR A 34 8.381 9.395 2.144 1.00 0.00 H new ATOM 0 HB THR A 34 10.743 8.813 2.236 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.815 6.273 1.273 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.731 7.202 4.106 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.427 8.403 4.264 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.057 6.755 3.703 1.00 0.00 H new ATOM 524 N ALA A 35 9.614 10.004 -0.071 1.00 0.00 N ATOM 525 CA ALA A 35 9.926 10.457 -1.421 1.00 0.00 C ATOM 526 C ALA A 35 10.737 9.411 -2.178 1.00 0.00 C ATOM 527 O ALA A 35 10.679 9.336 -3.404 1.00 0.00 O ATOM 528 CB ALA A 35 10.678 11.779 -1.373 1.00 0.00 C ATOM 0 H ALA A 35 9.927 10.633 0.668 1.00 0.00 H new ATOM 0 HA ALA A 35 8.987 10.605 -1.954 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.905 12.106 -2.388 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.062 12.530 -0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.607 11.649 -0.818 1.00 0.00 H new ATOM 534 N GLU A 36 11.493 8.606 -1.438 1.00 0.00 N ATOM 535 CA GLU A 36 12.318 7.565 -2.041 1.00 0.00 C ATOM 536 C GLU A 36 11.463 6.380 -2.479 1.00 0.00 C ATOM 537 O GLU A 36 11.361 6.079 -3.668 1.00 0.00 O ATOM 538 CB GLU A 36 13.391 7.098 -1.055 1.00 0.00 C ATOM 539 CG GLU A 36 14.312 8.211 -0.586 1.00 0.00 C ATOM 540 CD GLU A 36 15.307 7.744 0.458 1.00 0.00 C ATOM 541 OE1 GLU A 36 14.927 6.912 1.309 1.00 0.00 O ATOM 542 OE2 GLU A 36 16.466 8.209 0.425 1.00 0.00 O ATOM 0 H GLU A 36 11.551 8.654 -0.421 1.00 0.00 H new ATOM 0 HA GLU A 36 12.803 7.986 -2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.905 6.650 -0.188 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.989 6.317 -1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.852 8.615 -1.442 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.713 9.023 -0.174 1.00 0.00 H new ATOM 549 N SER A 37 10.850 5.709 -1.508 1.00 0.00 N ATOM 550 CA SER A 37 10.007 4.553 -1.792 1.00 0.00 C ATOM 551 C SER A 37 9.030 4.300 -0.648 1.00 0.00 C ATOM 552 O SER A 37 9.088 4.959 0.391 1.00 0.00 O ATOM 553 CB SER A 37 10.870 3.311 -2.025 1.00 0.00 C ATOM 554 OG SER A 37 11.212 2.690 -0.798 1.00 0.00 O ATOM 0 H SER A 37 10.921 5.946 -0.519 1.00 0.00 H new ATOM 0 HA SER A 37 9.435 4.764 -2.696 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.332 2.604 -2.657 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.778 3.590 -2.560 1.00 0.00 H new ATOM 0 HG SER A 37 12.180 2.542 -0.765 1.00 0.00 H new ATOM 560 N LEU A 38 8.132 3.341 -0.847 1.00 0.00 N ATOM 561 CA LEU A 38 7.141 2.999 0.167 1.00 0.00 C ATOM 562 C LEU A 38 7.505 1.694 0.867 1.00 0.00 C ATOM 563 O LEU A 38 7.522 0.630 0.248 1.00 0.00 O ATOM 564 CB LEU A 38 5.754 2.881 -0.467 1.00 0.00 C ATOM 565 CG LEU A 38 4.756 1.980 0.263 1.00 0.00 C ATOM 566 CD1 LEU A 38 4.338 2.607 1.584 1.00 0.00 C ATOM 567 CD2 LEU A 38 3.540 1.714 -0.612 1.00 0.00 C ATOM 0 H LEU A 38 8.070 2.787 -1.701 1.00 0.00 H new ATOM 0 HA LEU A 38 7.128 3.796 0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.324 3.880 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.872 2.509 -1.485 1.00 0.00 H new ATOM 0 HG LEU A 38 5.242 1.028 0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.628 1.952 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.216 2.746 2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.870 3.573 1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.840 1.072 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.053 2.658 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.855 1.221 -1.532 1.00 0.00 H new ATOM 579 N SER A 39 7.794 1.782 2.161 1.00 0.00 N ATOM 580 CA SER A 39 8.160 0.608 2.945 1.00 0.00 C ATOM 581 C SER A 39 7.203 0.419 4.118 1.00 0.00 C ATOM 582 O SER A 39 6.735 1.389 4.714 1.00 0.00 O ATOM 583 CB SER A 39 9.595 0.739 3.458 1.00 0.00 C ATOM 584 OG SER A 39 10.519 0.785 2.385 1.00 0.00 O ATOM 0 H SER A 39 7.782 2.654 2.689 1.00 0.00 H new ATOM 0 HA SER A 39 8.092 -0.267 2.298 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.688 1.643 4.061 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.830 -0.104 4.108 1.00 0.00 H new ATOM 0 HG SER A 39 11.360 1.181 2.695 1.00 0.00 H new ATOM 590 N TRP A 40 6.917 -0.837 4.442 1.00 0.00 N ATOM 591 CA TRP A 40 6.016 -1.155 5.544 1.00 0.00 C ATOM 592 C TRP A 40 6.754 -1.894 6.655 1.00 0.00 C ATOM 593 O TRP A 40 7.282 -2.986 6.442 1.00 0.00 O ATOM 594 CB TRP A 40 4.844 -2.000 5.044 1.00 0.00 C ATOM 595 CG TRP A 40 5.264 -3.134 4.158 1.00 0.00 C ATOM 596 CD1 TRP A 40 5.693 -4.368 4.554 1.00 0.00 C ATOM 597 CD2 TRP A 40 5.298 -3.136 2.726 1.00 0.00 C ATOM 598 NE1 TRP A 40 5.991 -5.138 3.456 1.00 0.00 N ATOM 599 CE2 TRP A 40 5.756 -4.405 2.322 1.00 0.00 C ATOM 600 CE3 TRP A 40 4.984 -2.190 1.747 1.00 0.00 C ATOM 601 CZ2 TRP A 40 5.908 -4.749 0.982 1.00 0.00 C ATOM 602 CZ3 TRP A 40 5.136 -2.533 0.417 1.00 0.00 C ATOM 603 CH2 TRP A 40 5.594 -3.803 0.044 1.00 0.00 C ATOM 0 H TRP A 40 7.296 -1.651 3.958 1.00 0.00 H new ATOM 0 HA TRP A 40 5.633 -0.218 5.949 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.302 -2.400 5.901 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.151 -1.360 4.499 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.785 -4.692 5.580 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.332 -6.099 3.481 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.629 -1.209 2.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.261 -5.728 0.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.897 -1.809 -0.348 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.701 -4.040 -1.004 1.00 0.00 H new ATOM 614 N TYR A 41 6.786 -1.294 7.839 1.00 0.00 N ATOM 615 CA TYR A 41 7.462 -1.895 8.983 1.00 0.00 C ATOM 616 C TYR A 41 6.451 -2.459 9.977 1.00 0.00 C ATOM 617 O TYR A 41 5.247 -2.460 9.725 1.00 0.00 O ATOM 618 CB TYR A 41 8.354 -0.863 9.675 1.00 0.00 C ATOM 619 CG TYR A 41 9.267 -0.119 8.727 1.00 0.00 C ATOM 620 CD1 TYR A 41 8.777 0.894 7.912 1.00 0.00 C ATOM 621 CD2 TYR A 41 10.619 -0.430 8.646 1.00 0.00 C ATOM 622 CE1 TYR A 41 9.608 1.577 7.044 1.00 0.00 C ATOM 623 CE2 TYR A 41 11.457 0.248 7.781 1.00 0.00 C ATOM 624 CZ TYR A 41 10.946 1.250 6.983 1.00 0.00 C ATOM 625 OH TYR A 41 11.777 1.927 6.119 1.00 0.00 O ATOM 0 H TYR A 41 6.352 -0.392 8.032 1.00 0.00 H new ATOM 0 HA TYR A 41 8.082 -2.714 8.618 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.724 -0.144 10.199 1.00 0.00 H new ATOM 0 HB3 TYR A 41 8.959 -1.366 10.429 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.729 1.152 7.957 1.00 0.00 H new ATOM 0 HD2 TYR A 41 11.022 -1.215 9.269 1.00 0.00 H new ATOM 0 HE1 TYR A 41 9.212 2.362 6.417 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.506 -0.005 7.730 1.00 0.00 H new ATOM 0 HH TYR A 41 12.687 1.940 6.483 1.00 0.00 H new ATOM 635 N LYS A 42 6.952 -2.939 11.111 1.00 0.00 N ATOM 636 CA LYS A 42 6.096 -3.505 12.147 1.00 0.00 C ATOM 637 C LYS A 42 5.649 -2.429 13.132 1.00 0.00 C ATOM 638 O LYS A 42 4.550 -2.495 13.682 1.00 0.00 O ATOM 639 CB LYS A 42 6.832 -4.620 12.893 1.00 0.00 C ATOM 640 CG LYS A 42 5.930 -5.766 13.317 1.00 0.00 C ATOM 641 CD LYS A 42 6.489 -6.497 14.526 1.00 0.00 C ATOM 642 CE LYS A 42 6.130 -5.787 15.822 1.00 0.00 C ATOM 643 NZ LYS A 42 4.671 -5.859 16.109 1.00 0.00 N ATOM 0 H LYS A 42 7.947 -2.947 11.336 1.00 0.00 H new ATOM 0 HA LYS A 42 5.212 -3.921 11.665 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.626 -5.010 12.256 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.311 -4.199 13.777 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.937 -5.382 13.550 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.815 -6.465 12.489 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.101 -7.515 14.548 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.573 -6.571 14.439 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.685 -6.235 16.647 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.437 -4.743 15.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.504 -5.646 17.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.167 -5.166 15.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.322 -6.815 15.895 1.00 0.00 H new ATOM 657 N ASP A 43 6.508 -1.439 13.348 1.00 0.00 N ATOM 658 CA ASP A 43 6.201 -0.347 14.265 1.00 0.00 C ATOM 659 C ASP A 43 6.816 0.961 13.778 1.00 0.00 C ATOM 660 O ASP A 43 7.632 0.969 12.856 1.00 0.00 O ATOM 661 CB ASP A 43 6.711 -0.673 15.669 1.00 0.00 C ATOM 662 CG ASP A 43 6.694 -2.161 15.960 1.00 0.00 C ATOM 663 OD1 ASP A 43 7.664 -2.850 15.582 1.00 0.00 O ATOM 664 OD2 ASP A 43 5.712 -2.635 16.567 1.00 0.00 O ATOM 0 H ASP A 43 7.422 -1.370 12.901 1.00 0.00 H new ATOM 0 HA ASP A 43 5.118 -0.228 14.299 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.728 -0.296 15.780 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.097 -0.155 16.405 1.00 0.00 H new ATOM 669 N GLU A 44 6.418 2.065 14.402 1.00 0.00 N ATOM 670 CA GLU A 44 6.930 3.379 14.030 1.00 0.00 C ATOM 671 C GLU A 44 8.449 3.428 14.160 1.00 0.00 C ATOM 672 O GLU A 44 9.125 4.123 13.402 1.00 0.00 O ATOM 673 CB GLU A 44 6.297 4.464 14.904 1.00 0.00 C ATOM 674 CG GLU A 44 4.778 4.412 14.934 1.00 0.00 C ATOM 675 CD GLU A 44 4.246 3.535 16.051 1.00 0.00 C ATOM 676 OE1 GLU A 44 5.030 2.730 16.596 1.00 0.00 O ATOM 677 OE2 GLU A 44 3.047 3.653 16.379 1.00 0.00 O ATOM 0 H GLU A 44 5.743 2.076 15.167 1.00 0.00 H new ATOM 0 HA GLU A 44 6.666 3.562 12.988 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.676 4.366 15.921 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.612 5.442 14.539 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.386 5.422 15.052 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.412 4.038 13.978 1.00 0.00 H new ATOM 684 N GLU A 45 8.979 2.685 15.127 1.00 0.00 N ATOM 685 CA GLU A 45 10.418 2.645 15.358 1.00 0.00 C ATOM 686 C GLU A 45 11.149 2.090 14.139 1.00 0.00 C ATOM 687 O GLU A 45 12.294 2.452 13.871 1.00 0.00 O ATOM 688 CB GLU A 45 10.737 1.794 16.588 1.00 0.00 C ATOM 689 CG GLU A 45 10.172 2.358 17.882 1.00 0.00 C ATOM 690 CD GLU A 45 10.686 3.753 18.183 1.00 0.00 C ATOM 691 OE1 GLU A 45 11.913 3.965 18.097 1.00 0.00 O ATOM 692 OE2 GLU A 45 9.859 4.632 18.503 1.00 0.00 O ATOM 0 H GLU A 45 8.433 2.103 15.763 1.00 0.00 H new ATOM 0 HA GLU A 45 10.760 3.665 15.533 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.342 0.789 16.437 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.819 1.700 16.684 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.084 2.381 17.820 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.430 1.694 18.707 1.00 0.00 H new ATOM 699 N GLU A 46 10.478 1.209 13.404 1.00 0.00 N ATOM 700 CA GLU A 46 11.064 0.603 12.214 1.00 0.00 C ATOM 701 C GLU A 46 12.373 -0.104 12.553 1.00 0.00 C ATOM 702 O GLU A 46 13.395 0.111 11.901 1.00 0.00 O ATOM 703 CB GLU A 46 11.308 1.666 11.141 1.00 0.00 C ATOM 704 CG GLU A 46 10.104 2.554 10.879 1.00 0.00 C ATOM 705 CD GLU A 46 10.494 3.948 10.426 1.00 0.00 C ATOM 706 OE1 GLU A 46 11.106 4.683 11.230 1.00 0.00 O ATOM 707 OE2 GLU A 46 10.189 4.303 9.269 1.00 0.00 O ATOM 0 H GLU A 46 9.529 0.899 13.611 1.00 0.00 H new ATOM 0 HA GLU A 46 10.361 -0.136 11.829 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.149 2.289 11.444 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.594 1.173 10.212 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.475 2.092 10.118 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.506 2.625 11.787 1.00 0.00 H new ATOM 714 N LYS A 47 12.335 -0.949 13.578 1.00 0.00 N ATOM 715 CA LYS A 47 13.516 -1.689 14.005 1.00 0.00 C ATOM 716 C LYS A 47 13.996 -2.630 12.904 1.00 0.00 C ATOM 717 O LYS A 47 15.186 -2.687 12.599 1.00 0.00 O ATOM 718 CB LYS A 47 13.213 -2.486 15.275 1.00 0.00 C ATOM 719 CG LYS A 47 13.264 -1.651 16.543 1.00 0.00 C ATOM 720 CD LYS A 47 11.908 -1.047 16.868 1.00 0.00 C ATOM 721 CE LYS A 47 11.061 -1.995 17.703 1.00 0.00 C ATOM 722 NZ LYS A 47 11.430 -1.946 19.145 1.00 0.00 N ATOM 0 H LYS A 47 11.498 -1.138 14.129 1.00 0.00 H new ATOM 0 HA LYS A 47 14.308 -0.970 14.215 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.224 -2.935 15.185 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.928 -3.304 15.360 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.596 -2.272 17.375 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.999 -0.855 16.426 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.046 -0.110 17.407 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.384 -0.808 15.943 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.008 -1.737 17.589 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.182 -3.013 17.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.830 -2.606 19.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.428 -2.217 19.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.290 -0.981 19.507 1.00 0.00 H new ATOM 736 N GLU A 48 13.060 -3.365 12.311 1.00 0.00 N ATOM 737 CA GLU A 48 13.389 -4.303 11.244 1.00 0.00 C ATOM 738 C GLU A 48 12.420 -4.157 10.074 1.00 0.00 C ATOM 739 O GLU A 48 11.254 -4.542 10.166 1.00 0.00 O ATOM 740 CB GLU A 48 13.358 -5.739 11.770 1.00 0.00 C ATOM 741 CG GLU A 48 14.687 -6.208 12.338 1.00 0.00 C ATOM 742 CD GLU A 48 15.741 -6.408 11.267 1.00 0.00 C ATOM 743 OE1 GLU A 48 15.414 -6.994 10.214 1.00 0.00 O ATOM 744 OE2 GLU A 48 16.894 -5.978 11.481 1.00 0.00 O ATOM 0 H GLU A 48 12.069 -3.329 12.551 1.00 0.00 H new ATOM 0 HA GLU A 48 14.395 -4.075 10.891 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.594 -5.817 12.544 1.00 0.00 H new ATOM 0 HB3 GLU A 48 13.062 -6.407 10.961 1.00 0.00 H new ATOM 0 HG2 GLU A 48 15.046 -5.478 13.064 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.538 -7.145 12.875 1.00 0.00 H new ATOM 751 N LYS A 49 12.911 -3.597 8.973 1.00 0.00 N ATOM 752 CA LYS A 49 12.091 -3.399 7.784 1.00 0.00 C ATOM 753 C LYS A 49 11.624 -4.736 7.217 1.00 0.00 C ATOM 754 O LYS A 49 12.383 -5.704 7.175 1.00 0.00 O ATOM 755 CB LYS A 49 12.877 -2.629 6.720 1.00 0.00 C ATOM 756 CG LYS A 49 12.009 -2.080 5.601 1.00 0.00 C ATOM 757 CD LYS A 49 12.619 -0.835 4.981 1.00 0.00 C ATOM 758 CE LYS A 49 13.964 -1.135 4.337 1.00 0.00 C ATOM 759 NZ LYS A 49 14.242 -0.231 3.186 1.00 0.00 N ATOM 0 H LYS A 49 13.873 -3.272 8.880 1.00 0.00 H new ATOM 0 HA LYS A 49 11.214 -2.819 8.070 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.405 -1.803 7.197 1.00 0.00 H new ATOM 0 HB3 LYS A 49 13.634 -3.287 6.292 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.878 -2.843 4.833 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.018 -1.846 5.990 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.938 -0.429 4.233 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.744 -0.070 5.747 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.754 -1.030 5.080 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.981 -2.171 3.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.822 -0.732 2.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.344 0.061 2.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.754 0.610 3.521 1.00 0.00 H new ATOM 773 N LYS A 50 10.369 -4.783 6.781 1.00 0.00 N ATOM 774 CA LYS A 50 9.800 -5.999 6.214 1.00 0.00 C ATOM 775 C LYS A 50 10.127 -6.111 4.729 1.00 0.00 C ATOM 776 O LYS A 50 10.786 -7.057 4.297 1.00 0.00 O ATOM 777 CB LYS A 50 8.284 -6.021 6.417 1.00 0.00 C ATOM 778 CG LYS A 50 7.863 -5.910 7.873 1.00 0.00 C ATOM 779 CD LYS A 50 7.955 -7.250 8.583 1.00 0.00 C ATOM 780 CE LYS A 50 7.369 -7.179 9.985 1.00 0.00 C ATOM 781 NZ LYS A 50 6.890 -8.509 10.454 1.00 0.00 N ATOM 0 H LYS A 50 9.726 -3.991 6.810 1.00 0.00 H new ATOM 0 HA LYS A 50 10.241 -6.852 6.730 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.839 -5.200 5.855 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.884 -6.946 6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.497 -5.183 8.382 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.841 -5.536 7.930 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.426 -8.007 8.004 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.998 -7.563 8.639 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.123 -6.801 10.675 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.541 -6.470 9.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.498 -8.418 11.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.152 -8.859 9.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.685 -9.179 10.467 1.00 0.00 H new ATOM 795 N TYR A 51 9.662 -5.140 3.951 1.00 0.00 N ATOM 796 CA TYR A 51 9.904 -5.130 2.513 1.00 0.00 C ATOM 797 C TYR A 51 9.781 -3.718 1.949 1.00 0.00 C ATOM 798 O TYR A 51 8.918 -2.945 2.364 1.00 0.00 O ATOM 799 CB TYR A 51 8.920 -6.062 1.803 1.00 0.00 C ATOM 800 CG TYR A 51 9.283 -6.340 0.362 1.00 0.00 C ATOM 801 CD1 TYR A 51 8.994 -5.420 -0.638 1.00 0.00 C ATOM 802 CD2 TYR A 51 9.914 -7.524 0.000 1.00 0.00 C ATOM 803 CE1 TYR A 51 9.323 -5.670 -1.956 1.00 0.00 C ATOM 804 CE2 TYR A 51 10.247 -7.782 -1.316 1.00 0.00 C ATOM 805 CZ TYR A 51 9.950 -6.852 -2.290 1.00 0.00 C ATOM 806 OH TYR A 51 10.279 -7.106 -3.602 1.00 0.00 O ATOM 0 H TYR A 51 9.115 -4.349 4.292 1.00 0.00 H new ATOM 0 HA TYR A 51 10.920 -5.484 2.339 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.871 -7.006 2.345 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.924 -5.621 1.840 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.503 -4.493 -0.380 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.148 -8.255 0.760 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.090 -4.944 -2.721 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.737 -8.707 -1.580 1.00 0.00 H new ATOM 0 HH TYR A 51 10.716 -7.981 -3.666 1.00 0.00 H new ATOM 816 N MET A 52 10.652 -3.389 1.000 1.00 0.00 N ATOM 817 CA MET A 52 10.640 -2.070 0.377 1.00 0.00 C ATOM 818 C MET A 52 10.065 -2.140 -1.034 1.00 0.00 C ATOM 819 O MET A 52 10.229 -3.141 -1.733 1.00 0.00 O ATOM 820 CB MET A 52 12.055 -1.490 0.335 1.00 0.00 C ATOM 821 CG MET A 52 12.137 -0.136 -0.351 1.00 0.00 C ATOM 822 SD MET A 52 13.836 0.395 -0.639 1.00 0.00 S ATOM 823 CE MET A 52 14.112 -0.237 -2.293 1.00 0.00 C ATOM 0 H MET A 52 11.374 -4.017 0.646 1.00 0.00 H new ATOM 0 HA MET A 52 10.005 -1.418 0.977 1.00 0.00 H new ATOM 0 HB2 MET A 52 12.430 -1.395 1.354 1.00 0.00 H new ATOM 0 HB3 MET A 52 12.711 -2.190 -0.182 1.00 0.00 H new ATOM 0 HG2 MET A 52 11.609 -0.183 -1.303 1.00 0.00 H new ATOM 0 HG3 MET A 52 11.627 0.608 0.260 1.00 0.00 H new ATOM 0 HE1 MET A 52 15.123 0.012 -2.614 1.00 0.00 H new ATOM 0 HE2 MET A 52 13.988 -1.320 -2.294 1.00 0.00 H new ATOM 0 HE3 MET A 52 13.393 0.212 -2.979 1.00 0.00 H new ATOM 833 N LEU A 53 9.390 -1.073 -1.446 1.00 0.00 N ATOM 834 CA LEU A 53 8.790 -1.014 -2.774 1.00 0.00 C ATOM 835 C LEU A 53 8.836 0.406 -3.330 1.00 0.00 C ATOM 836 O LEU A 53 8.499 1.376 -2.651 1.00 0.00 O ATOM 837 CB LEU A 53 7.343 -1.507 -2.724 1.00 0.00 C ATOM 838 CG LEU A 53 6.816 -2.175 -3.995 1.00 0.00 C ATOM 839 CD1 LEU A 53 7.488 -3.523 -4.207 1.00 0.00 C ATOM 840 CD2 LEU A 53 5.305 -2.334 -3.927 1.00 0.00 C ATOM 0 H LEU A 53 9.244 -0.237 -0.880 1.00 0.00 H new ATOM 0 HA LEU A 53 9.366 -1.662 -3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.250 -2.215 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.699 -0.659 -2.490 1.00 0.00 H new ATOM 0 HG LEU A 53 7.055 -1.536 -4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.101 -3.984 -5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.565 -3.382 -4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.281 -4.171 -3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.948 -2.811 -4.840 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.042 -2.952 -3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.840 -1.353 -3.824 1.00 0.00 H new ATOM 852 N PRO A 54 9.261 0.533 -4.596 1.00 0.00 N ATOM 853 CA PRO A 54 9.359 1.830 -5.272 1.00 0.00 C ATOM 854 C PRO A 54 7.990 2.434 -5.568 1.00 0.00 C ATOM 855 O PRO A 54 6.958 1.807 -5.324 1.00 0.00 O ATOM 856 CB PRO A 54 10.089 1.496 -6.576 1.00 0.00 C ATOM 857 CG PRO A 54 9.786 0.058 -6.822 1.00 0.00 C ATOM 858 CD PRO A 54 9.679 -0.581 -5.465 1.00 0.00 C ATOM 0 HA PRO A 54 9.871 2.572 -4.659 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.738 2.121 -7.397 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.162 1.664 -6.483 1.00 0.00 H new ATOM 0 HG2 PRO A 54 8.857 -0.055 -7.381 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.573 -0.411 -7.413 1.00 0.00 H new ATOM 0 HD2 PRO A 54 8.950 -1.391 -5.459 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.630 -1.006 -5.145 1.00 0.00 H new ATOM 866 N LEU A 55 7.988 3.653 -6.094 1.00 0.00 N ATOM 867 CA LEU A 55 6.746 4.343 -6.424 1.00 0.00 C ATOM 868 C LEU A 55 6.748 4.803 -7.878 1.00 0.00 C ATOM 869 O LEU A 55 6.029 5.733 -8.246 1.00 0.00 O ATOM 870 CB LEU A 55 6.543 5.543 -5.497 1.00 0.00 C ATOM 871 CG LEU A 55 6.931 5.333 -4.033 1.00 0.00 C ATOM 872 CD1 LEU A 55 7.003 6.665 -3.304 1.00 0.00 C ATOM 873 CD2 LEU A 55 5.941 4.401 -3.348 1.00 0.00 C ATOM 0 H LEU A 55 8.833 4.185 -6.301 1.00 0.00 H new ATOM 0 HA LEU A 55 5.923 3.642 -6.285 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.120 6.381 -5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.493 5.833 -5.536 1.00 0.00 H new ATOM 0 HG LEU A 55 7.918 4.871 -4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.280 6.496 -2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.750 7.300 -3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.030 7.155 -3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.232 4.263 -2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.942 4.836 -3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.939 3.436 -3.855 1.00 0.00 H new ATOM 885 N ASP A 56 7.558 4.145 -8.700 1.00 0.00 N ATOM 886 CA ASP A 56 7.651 4.485 -10.115 1.00 0.00 C ATOM 887 C ASP A 56 6.952 3.435 -10.973 1.00 0.00 C ATOM 888 O ASP A 56 6.345 3.756 -11.993 1.00 0.00 O ATOM 889 CB ASP A 56 9.116 4.613 -10.536 1.00 0.00 C ATOM 890 CG ASP A 56 9.651 6.019 -10.349 1.00 0.00 C ATOM 891 OD1 ASP A 56 9.236 6.918 -11.110 1.00 0.00 O ATOM 892 OD2 ASP A 56 10.485 6.220 -9.442 1.00 0.00 O ATOM 0 H ASP A 56 8.159 3.373 -8.411 1.00 0.00 H new ATOM 0 HA ASP A 56 7.153 5.443 -10.267 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.720 3.917 -9.954 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.217 4.325 -11.582 1.00 0.00 H new ATOM 897 N ASN A 57 7.045 2.177 -10.552 1.00 0.00 N ATOM 898 CA ASN A 57 6.423 1.079 -11.283 1.00 0.00 C ATOM 899 C ASN A 57 5.139 0.625 -10.595 1.00 0.00 C ATOM 900 O ASN A 57 4.790 -0.556 -10.623 1.00 0.00 O ATOM 901 CB ASN A 57 7.394 -0.097 -11.401 1.00 0.00 C ATOM 902 CG ASN A 57 8.828 0.355 -11.600 1.00 0.00 C ATOM 903 OD1 ASN A 57 9.601 0.442 -10.646 1.00 0.00 O ATOM 904 ND2 ASN A 57 9.189 0.646 -12.845 1.00 0.00 N ATOM 0 H ASN A 57 7.545 1.893 -9.709 1.00 0.00 H new ATOM 0 HA ASN A 57 6.172 1.437 -12.282 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.330 -0.709 -10.501 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.096 -0.729 -12.238 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.141 0.956 -13.041 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.514 0.559 -13.605 1.00 0.00 H new ATOM 911 N LEU A 58 4.439 1.571 -9.977 1.00 0.00 N ATOM 912 CA LEU A 58 3.193 1.270 -9.282 1.00 0.00 C ATOM 913 C LEU A 58 2.045 2.110 -9.832 1.00 0.00 C ATOM 914 O LEU A 58 2.265 3.099 -10.532 1.00 0.00 O ATOM 915 CB LEU A 58 3.350 1.521 -7.781 1.00 0.00 C ATOM 916 CG LEU A 58 4.462 0.738 -7.082 1.00 0.00 C ATOM 917 CD1 LEU A 58 4.406 0.958 -5.578 1.00 0.00 C ATOM 918 CD2 LEU A 58 4.358 -0.745 -7.410 1.00 0.00 C ATOM 0 H LEU A 58 4.714 2.553 -9.943 1.00 0.00 H new ATOM 0 HA LEU A 58 2.960 0.218 -9.446 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.531 2.585 -7.628 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.405 1.285 -7.293 1.00 0.00 H new ATOM 0 HG LEU A 58 5.422 1.104 -7.447 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.205 0.393 -5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.530 2.019 -5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.442 0.620 -5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.157 -1.286 -6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.393 -1.125 -7.074 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.449 -0.887 -8.487 1.00 0.00 H new ATOM 930 N LYS A 59 0.820 1.712 -9.509 1.00 0.00 N ATOM 931 CA LYS A 59 -0.364 2.429 -9.968 1.00 0.00 C ATOM 932 C LYS A 59 -1.566 2.117 -9.083 1.00 0.00 C ATOM 933 O LYS A 59 -1.740 0.984 -8.633 1.00 0.00 O ATOM 934 CB LYS A 59 -0.678 2.062 -11.420 1.00 0.00 C ATOM 935 CG LYS A 59 -1.580 3.064 -12.119 1.00 0.00 C ATOM 936 CD LYS A 59 -0.790 4.243 -12.661 1.00 0.00 C ATOM 937 CE LYS A 59 -1.598 5.036 -13.677 1.00 0.00 C ATOM 938 NZ LYS A 59 -1.602 4.381 -15.015 1.00 0.00 N ATOM 0 H LYS A 59 0.620 0.896 -8.931 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.157 3.497 -9.907 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.256 1.978 -11.975 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.152 1.081 -11.444 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.107 2.572 -12.936 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.337 3.422 -11.421 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.498 4.895 -11.838 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.129 3.884 -13.125 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.623 5.143 -13.322 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.185 6.041 -13.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.163 4.952 -15.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.626 4.301 -15.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.020 3.432 -14.936 1.00 0.00 H new ATOM 952 N ILE A 60 -2.393 3.128 -8.837 1.00 0.00 N ATOM 953 CA ILE A 60 -3.580 2.960 -8.008 1.00 0.00 C ATOM 954 C ILE A 60 -4.850 3.006 -8.850 1.00 0.00 C ATOM 955 O ILE A 60 -4.997 3.861 -9.724 1.00 0.00 O ATOM 956 CB ILE A 60 -3.662 4.043 -6.916 1.00 0.00 C ATOM 957 CG1 ILE A 60 -2.409 4.010 -6.039 1.00 0.00 C ATOM 958 CG2 ILE A 60 -4.912 3.849 -6.071 1.00 0.00 C ATOM 959 CD1 ILE A 60 -2.347 5.136 -5.031 1.00 0.00 C ATOM 0 H ILE A 60 -2.263 4.072 -9.200 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.497 1.982 -7.533 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.720 5.019 -7.397 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.370 3.058 -5.510 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.527 4.056 -6.678 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.956 4.622 -5.304 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.795 3.918 -6.706 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.882 2.868 -5.597 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.432 5.049 -4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.354 6.093 -5.553 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.210 5.079 -4.368 1.00 0.00 H new ATOM 971 N ARG A 61 -5.766 2.081 -8.581 1.00 0.00 N ATOM 972 CA ARG A 61 -7.025 2.016 -9.314 1.00 0.00 C ATOM 973 C ARG A 61 -8.160 1.554 -8.405 1.00 0.00 C ATOM 974 O ARG A 61 -7.933 0.851 -7.420 1.00 0.00 O ATOM 975 CB ARG A 61 -6.896 1.069 -10.509 1.00 0.00 C ATOM 976 CG ARG A 61 -6.399 -0.318 -10.135 1.00 0.00 C ATOM 977 CD ARG A 61 -6.517 -1.285 -11.303 1.00 0.00 C ATOM 978 NE ARG A 61 -7.903 -1.465 -11.726 1.00 0.00 N ATOM 979 CZ ARG A 61 -8.296 -2.406 -12.577 1.00 0.00 C ATOM 980 NH1 ARG A 61 -7.411 -3.248 -13.094 1.00 0.00 N ATOM 981 NH2 ARG A 61 -9.575 -2.507 -12.914 1.00 0.00 N ATOM 0 H ARG A 61 -5.660 1.366 -7.861 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.258 3.017 -9.676 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.867 0.979 -10.997 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.213 1.507 -11.237 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.359 -0.259 -9.814 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.973 -0.696 -9.289 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.927 -0.914 -12.141 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.096 -2.250 -11.019 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.608 -0.833 -11.347 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.426 -3.174 -12.838 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.715 -3.970 -13.747 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.259 -1.861 -12.519 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.875 -3.230 -13.568 1.00 0.00 H new ATOM 995 N ASP A 62 -9.381 1.955 -8.742 1.00 0.00 N ATOM 996 CA ASP A 62 -10.552 1.582 -7.957 1.00 0.00 C ATOM 997 C ASP A 62 -10.806 0.080 -8.040 1.00 0.00 C ATOM 998 O ASP A 62 -11.263 -0.427 -9.065 1.00 0.00 O ATOM 999 CB ASP A 62 -11.783 2.348 -8.443 1.00 0.00 C ATOM 1000 CG ASP A 62 -12.053 2.133 -9.919 1.00 0.00 C ATOM 1001 OD1 ASP A 62 -12.793 1.185 -10.256 1.00 0.00 O ATOM 1002 OD2 ASP A 62 -11.526 2.915 -10.738 1.00 0.00 O ATOM 0 H ASP A 62 -9.586 2.538 -9.553 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.359 1.842 -6.916 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.654 2.033 -7.868 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.643 3.412 -8.253 1.00 0.00 H new ATOM 1007 N VAL A 63 -10.505 -0.627 -6.956 1.00 0.00 N ATOM 1008 CA VAL A 63 -10.701 -2.071 -6.906 1.00 0.00 C ATOM 1009 C VAL A 63 -12.026 -2.469 -7.546 1.00 0.00 C ATOM 1010 O VAL A 63 -12.939 -1.652 -7.662 1.00 0.00 O ATOM 1011 CB VAL A 63 -10.666 -2.593 -5.457 1.00 0.00 C ATOM 1012 CG1 VAL A 63 -10.712 -4.113 -5.435 1.00 0.00 C ATOM 1013 CG2 VAL A 63 -9.430 -2.078 -4.735 1.00 0.00 C ATOM 0 H VAL A 63 -10.124 -0.223 -6.100 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.881 -2.521 -7.466 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.546 -2.220 -4.934 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.686 -4.463 -4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -11.630 -4.456 -5.912 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.852 -4.511 -5.974 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.422 -2.457 -3.713 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.536 -2.420 -5.256 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.446 -0.988 -4.718 1.00 0.00 H new ATOM 1023 N GLU A 64 -12.123 -3.728 -7.959 1.00 0.00 N ATOM 1024 CA GLU A 64 -13.338 -4.234 -8.589 1.00 0.00 C ATOM 1025 C GLU A 64 -14.190 -5.005 -7.585 1.00 0.00 C ATOM 1026 O GLU A 64 -13.861 -6.131 -7.210 1.00 0.00 O ATOM 1027 CB GLU A 64 -12.988 -5.133 -9.776 1.00 0.00 C ATOM 1028 CG GLU A 64 -11.963 -6.206 -9.445 1.00 0.00 C ATOM 1029 CD GLU A 64 -11.635 -7.086 -10.635 1.00 0.00 C ATOM 1030 OE1 GLU A 64 -11.053 -6.570 -11.612 1.00 0.00 O ATOM 1031 OE2 GLU A 64 -11.961 -8.291 -10.589 1.00 0.00 O ATOM 0 H GLU A 64 -11.376 -4.417 -7.869 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.913 -3.381 -8.948 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -13.898 -5.611 -10.140 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -12.606 -4.515 -10.589 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.050 -5.732 -9.086 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.341 -6.826 -8.632 1.00 0.00 H new ATOM 1038 N LYS A 65 -15.286 -4.392 -7.153 1.00 0.00 N ATOM 1039 CA LYS A 65 -16.187 -5.019 -6.193 1.00 0.00 C ATOM 1040 C LYS A 65 -17.567 -5.237 -6.805 1.00 0.00 C ATOM 1041 O LYS A 65 -17.872 -4.713 -7.875 1.00 0.00 O ATOM 1042 CB LYS A 65 -16.306 -4.157 -4.935 1.00 0.00 C ATOM 1043 CG LYS A 65 -15.116 -4.280 -3.998 1.00 0.00 C ATOM 1044 CD LYS A 65 -13.937 -3.453 -4.483 1.00 0.00 C ATOM 1045 CE LYS A 65 -14.192 -1.964 -4.312 1.00 0.00 C ATOM 1046 NZ LYS A 65 -14.860 -1.375 -5.505 1.00 0.00 N ATOM 0 H LYS A 65 -15.573 -3.460 -7.453 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.771 -5.989 -5.922 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -16.420 -3.114 -5.229 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.212 -4.437 -4.397 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -15.404 -3.954 -2.998 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.820 -5.326 -3.919 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.041 -3.736 -3.930 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.745 -3.672 -5.533 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.812 -1.801 -3.431 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.246 -1.452 -4.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -14.408 -0.470 -5.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.774 -2.029 -6.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -15.866 -1.214 -5.296 1.00 0.00 H new ATOM 1060 N GLY A 66 -18.399 -6.014 -6.117 1.00 0.00 N ATOM 1061 CA GLY A 66 -19.737 -6.286 -6.608 1.00 0.00 C ATOM 1062 C GLY A 66 -20.751 -5.269 -6.121 1.00 0.00 C ATOM 1063 O GLY A 66 -20.690 -4.096 -6.488 1.00 0.00 O ATOM 0 H GLY A 66 -18.170 -6.460 -5.229 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -19.727 -6.291 -7.698 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -20.043 -7.282 -6.287 1.00 0.00 H new ATOM 1067 N PHE A 67 -21.688 -5.720 -5.294 1.00 0.00 N ATOM 1068 CA PHE A 67 -22.722 -4.842 -4.758 1.00 0.00 C ATOM 1069 C PHE A 67 -22.102 -3.626 -4.076 1.00 0.00 C ATOM 1070 O PHE A 67 -22.352 -2.487 -4.468 1.00 0.00 O ATOM 1071 CB PHE A 67 -23.604 -5.603 -3.767 1.00 0.00 C ATOM 1072 CG PHE A 67 -24.441 -6.673 -4.408 1.00 0.00 C ATOM 1073 CD1 PHE A 67 -25.480 -6.340 -5.262 1.00 0.00 C ATOM 1074 CD2 PHE A 67 -24.189 -8.012 -4.156 1.00 0.00 C ATOM 1075 CE1 PHE A 67 -26.251 -7.322 -5.855 1.00 0.00 C ATOM 1076 CE2 PHE A 67 -24.958 -8.999 -4.745 1.00 0.00 C ATOM 1077 CZ PHE A 67 -25.991 -8.653 -5.595 1.00 0.00 C ATOM 0 H PHE A 67 -21.753 -6.688 -4.980 1.00 0.00 H new ATOM 0 HA PHE A 67 -23.337 -4.496 -5.589 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -22.971 -6.056 -3.004 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -24.260 -4.896 -3.259 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -25.690 -5.301 -5.467 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -23.383 -8.288 -3.492 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -27.056 -7.049 -6.521 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -24.751 -10.039 -4.541 1.00 0.00 H new ATOM 0 HZ PHE A 67 -26.594 -9.422 -6.055 1.00 0.00 H new ATOM 1087 N MET A 68 -21.294 -3.878 -3.051 1.00 0.00 N ATOM 1088 CA MET A 68 -20.638 -2.804 -2.314 1.00 0.00 C ATOM 1089 C MET A 68 -19.552 -3.359 -1.398 1.00 0.00 C ATOM 1090 O MET A 68 -19.677 -4.463 -0.869 1.00 0.00 O ATOM 1091 CB MET A 68 -21.663 -2.021 -1.492 1.00 0.00 C ATOM 1092 CG MET A 68 -21.047 -0.932 -0.630 1.00 0.00 C ATOM 1093 SD MET A 68 -22.231 -0.197 0.514 1.00 0.00 S ATOM 1094 CE MET A 68 -22.786 1.217 -0.436 1.00 0.00 C ATOM 0 H MET A 68 -21.078 -4.816 -2.712 1.00 0.00 H new ATOM 0 HA MET A 68 -20.173 -2.133 -3.036 1.00 0.00 H new ATOM 0 HB2 MET A 68 -22.390 -1.570 -2.167 1.00 0.00 H new ATOM 0 HB3 MET A 68 -22.209 -2.714 -0.852 1.00 0.00 H new ATOM 0 HG2 MET A 68 -20.213 -1.349 -0.065 1.00 0.00 H new ATOM 0 HG3 MET A 68 -20.638 -0.153 -1.273 1.00 0.00 H new ATOM 0 HE1 MET A 68 -23.525 1.775 0.140 1.00 0.00 H new ATOM 0 HE2 MET A 68 -21.936 1.862 -0.658 1.00 0.00 H new ATOM 0 HE3 MET A 68 -23.235 0.875 -1.368 1.00 0.00 H new ATOM 1104 N SER A 69 -18.486 -2.586 -1.216 1.00 0.00 N ATOM 1105 CA SER A 69 -17.375 -3.002 -0.368 1.00 0.00 C ATOM 1106 C SER A 69 -17.697 -2.762 1.104 1.00 0.00 C ATOM 1107 O SER A 69 -18.663 -2.077 1.436 1.00 0.00 O ATOM 1108 CB SER A 69 -16.101 -2.247 -0.752 1.00 0.00 C ATOM 1109 OG SER A 69 -14.945 -2.988 -0.405 1.00 0.00 O ATOM 0 H SER A 69 -18.368 -1.668 -1.645 1.00 0.00 H new ATOM 0 HA SER A 69 -17.215 -4.070 -0.519 1.00 0.00 H new ATOM 0 HB2 SER A 69 -16.101 -2.048 -1.824 1.00 0.00 H new ATOM 0 HB3 SER A 69 -16.082 -1.280 -0.249 1.00 0.00 H new ATOM 0 HG SER A 69 -14.144 -2.485 -0.662 1.00 0.00 H new ATOM 1115 N ASN A 70 -16.880 -3.333 1.983 1.00 0.00 N ATOM 1116 CA ASN A 70 -17.076 -3.183 3.420 1.00 0.00 C ATOM 1117 C ASN A 70 -16.311 -1.975 3.951 1.00 0.00 C ATOM 1118 O ASN A 70 -16.729 -1.336 4.916 1.00 0.00 O ATOM 1119 CB ASN A 70 -16.626 -4.449 4.153 1.00 0.00 C ATOM 1120 CG ASN A 70 -17.328 -5.692 3.643 1.00 0.00 C ATOM 1121 OD1 ASN A 70 -18.481 -5.954 3.988 1.00 0.00 O ATOM 1122 ND2 ASN A 70 -16.634 -6.467 2.817 1.00 0.00 N ATOM 0 H ASN A 70 -16.075 -3.904 1.725 1.00 0.00 H new ATOM 0 HA ASN A 70 -18.139 -3.025 3.601 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -15.549 -4.570 4.037 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -16.821 -4.337 5.220 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -17.054 -7.318 2.442 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.681 -6.212 2.558 1.00 0.00 H new ATOM 1129 N LYS A 71 -15.186 -1.667 3.313 1.00 0.00 N ATOM 1130 CA LYS A 71 -14.362 -0.535 3.719 1.00 0.00 C ATOM 1131 C LYS A 71 -13.584 0.024 2.531 1.00 0.00 C ATOM 1132 O LYS A 71 -13.544 -0.584 1.461 1.00 0.00 O ATOM 1133 CB LYS A 71 -13.392 -0.955 4.825 1.00 0.00 C ATOM 1134 CG LYS A 71 -13.943 -0.753 6.226 1.00 0.00 C ATOM 1135 CD LYS A 71 -13.333 -1.735 7.213 1.00 0.00 C ATOM 1136 CE LYS A 71 -13.269 -1.149 8.615 1.00 0.00 C ATOM 1137 NZ LYS A 71 -14.591 -1.196 9.297 1.00 0.00 N ATOM 0 H LYS A 71 -14.825 -2.186 2.513 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.021 0.245 4.100 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.136 -2.006 4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.468 -0.386 4.722 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.741 0.267 6.554 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.026 -0.875 6.213 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.923 -2.652 7.227 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.330 -2.006 6.885 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.536 -1.699 9.205 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.925 -0.116 8.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.505 -0.787 10.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.285 -0.650 8.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.908 -2.184 9.371 1.00 0.00 H new ATOM 1151 N HIS A 72 -12.966 1.184 2.728 1.00 0.00 N ATOM 1152 CA HIS A 72 -12.187 1.824 1.674 1.00 0.00 C ATOM 1153 C HIS A 72 -10.889 1.063 1.420 1.00 0.00 C ATOM 1154 O HIS A 72 -9.922 1.197 2.170 1.00 0.00 O ATOM 1155 CB HIS A 72 -11.877 3.273 2.047 1.00 0.00 C ATOM 1156 CG HIS A 72 -12.976 3.942 2.814 1.00 0.00 C ATOM 1157 ND1 HIS A 72 -13.960 4.699 2.214 1.00 0.00 N ATOM 1158 CD2 HIS A 72 -13.244 3.964 4.141 1.00 0.00 C ATOM 1159 CE1 HIS A 72 -14.785 5.158 3.138 1.00 0.00 C ATOM 1160 NE2 HIS A 72 -14.373 4.726 4.316 1.00 0.00 N ATOM 0 H HIS A 72 -12.989 1.700 3.608 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.780 1.812 0.760 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -10.963 3.299 2.640 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -11.683 3.840 1.137 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -14.039 4.877 1.213 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -12.676 3.474 4.917 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -15.649 5.781 2.960 1.00 0.00 H new ATOM 1169 N VAL A 73 -10.875 0.264 0.357 1.00 0.00 N ATOM 1170 CA VAL A 73 -9.696 -0.518 0.004 1.00 0.00 C ATOM 1171 C VAL A 73 -9.221 -0.188 -1.407 1.00 0.00 C ATOM 1172 O VAL A 73 -9.982 -0.287 -2.369 1.00 0.00 O ATOM 1173 CB VAL A 73 -9.976 -2.029 0.100 1.00 0.00 C ATOM 1174 CG1 VAL A 73 -8.756 -2.827 -0.337 1.00 0.00 C ATOM 1175 CG2 VAL A 73 -10.391 -2.405 1.514 1.00 0.00 C ATOM 0 H VAL A 73 -11.667 0.142 -0.274 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.915 -0.255 0.718 1.00 0.00 H new ATOM 0 HB VAL A 73 -10.799 -2.272 -0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.972 -3.893 -0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -8.509 -2.578 -1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -7.911 -2.582 0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -10.585 -3.476 1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.591 -2.149 2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.295 -1.860 1.785 1.00 0.00 H new ATOM 1185 N PHE A 74 -7.956 0.203 -1.523 1.00 0.00 N ATOM 1186 CA PHE A 74 -7.378 0.548 -2.816 1.00 0.00 C ATOM 1187 C PHE A 74 -6.285 -0.443 -3.205 1.00 0.00 C ATOM 1188 O PHE A 74 -5.422 -0.781 -2.395 1.00 0.00 O ATOM 1189 CB PHE A 74 -6.807 1.967 -2.781 1.00 0.00 C ATOM 1190 CG PHE A 74 -5.695 2.141 -1.787 1.00 0.00 C ATOM 1191 CD1 PHE A 74 -5.962 2.168 -0.427 1.00 0.00 C ATOM 1192 CD2 PHE A 74 -4.383 2.279 -2.211 1.00 0.00 C ATOM 1193 CE1 PHE A 74 -4.941 2.329 0.490 1.00 0.00 C ATOM 1194 CE2 PHE A 74 -3.358 2.440 -1.298 1.00 0.00 C ATOM 1195 CZ PHE A 74 -3.638 2.464 0.055 1.00 0.00 C ATOM 0 H PHE A 74 -7.312 0.289 -0.737 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.169 0.501 -3.564 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.440 2.227 -3.774 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.608 2.667 -2.544 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.979 2.062 -0.080 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.159 2.261 -3.267 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.162 2.349 1.547 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.340 2.547 -1.641 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.839 2.588 0.771 1.00 0.00 H new ATOM 1205 N ALA A 75 -6.329 -0.906 -4.450 1.00 0.00 N ATOM 1206 CA ALA A 75 -5.343 -1.857 -4.947 1.00 0.00 C ATOM 1207 C ALA A 75 -4.213 -1.142 -5.682 1.00 0.00 C ATOM 1208 O ALA A 75 -4.414 -0.071 -6.255 1.00 0.00 O ATOM 1209 CB ALA A 75 -6.006 -2.877 -5.860 1.00 0.00 C ATOM 0 H ALA A 75 -7.037 -0.638 -5.133 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.913 -2.378 -4.091 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.257 -3.581 -6.224 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.773 -3.418 -5.305 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.464 -2.365 -6.706 1.00 0.00 H new ATOM 1215 N ILE A 76 -3.028 -1.742 -5.661 1.00 0.00 N ATOM 1216 CA ILE A 76 -1.867 -1.162 -6.326 1.00 0.00 C ATOM 1217 C ILE A 76 -1.222 -2.163 -7.278 1.00 0.00 C ATOM 1218 O ILE A 76 -0.733 -3.211 -6.856 1.00 0.00 O ATOM 1219 CB ILE A 76 -0.814 -0.687 -5.308 1.00 0.00 C ATOM 1220 CG1 ILE A 76 -1.414 0.367 -4.375 1.00 0.00 C ATOM 1221 CG2 ILE A 76 0.406 -0.132 -6.027 1.00 0.00 C ATOM 1222 CD1 ILE A 76 -0.456 0.842 -3.304 1.00 0.00 C ATOM 0 H ILE A 76 -2.846 -2.629 -5.191 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.225 -0.303 -6.894 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.500 -1.541 -4.707 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.737 1.223 -4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.303 -0.045 -3.899 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.141 0.200 -5.294 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.844 -0.909 -6.654 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.109 0.712 -6.650 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.949 1.588 -2.680 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.152 -0.004 -2.687 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.423 1.284 -3.772 1.00 0.00 H new ATOM 1234 N PHE A 77 -1.223 -1.833 -8.565 1.00 0.00 N ATOM 1235 CA PHE A 77 -0.637 -2.702 -9.578 1.00 0.00 C ATOM 1236 C PHE A 77 0.561 -2.032 -10.244 1.00 0.00 C ATOM 1237 O PHE A 77 0.736 -0.818 -10.151 1.00 0.00 O ATOM 1238 CB PHE A 77 -1.683 -3.068 -10.634 1.00 0.00 C ATOM 1239 CG PHE A 77 -2.101 -1.907 -11.491 1.00 0.00 C ATOM 1240 CD1 PHE A 77 -1.404 -1.597 -12.648 1.00 0.00 C ATOM 1241 CD2 PHE A 77 -3.190 -1.126 -11.139 1.00 0.00 C ATOM 1242 CE1 PHE A 77 -1.786 -0.529 -13.438 1.00 0.00 C ATOM 1243 CE2 PHE A 77 -3.576 -0.056 -11.926 1.00 0.00 C ATOM 1244 CZ PHE A 77 -2.874 0.241 -13.077 1.00 0.00 C ATOM 0 H PHE A 77 -1.623 -0.969 -8.931 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.294 -3.612 -9.085 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.283 -3.855 -11.273 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.562 -3.477 -10.136 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.553 -2.196 -12.936 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.743 -1.355 -10.240 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.234 -0.297 -14.337 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -4.426 0.546 -11.640 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.175 1.074 -13.694 1.00 0.00 H new ATOM 1254 N ASN A 78 1.383 -2.832 -10.914 1.00 0.00 N ATOM 1255 CA ASN A 78 2.566 -2.318 -11.594 1.00 0.00 C ATOM 1256 C ASN A 78 2.292 -2.113 -13.081 1.00 0.00 C ATOM 1257 O ASN A 78 1.907 -3.046 -13.788 1.00 0.00 O ATOM 1258 CB ASN A 78 3.744 -3.275 -11.408 1.00 0.00 C ATOM 1259 CG ASN A 78 5.008 -2.774 -12.079 1.00 0.00 C ATOM 1260 OD1 ASN A 78 4.963 -2.215 -13.175 1.00 0.00 O ATOM 1261 ND2 ASN A 78 6.145 -2.971 -11.422 1.00 0.00 N ATOM 0 H ASN A 78 1.252 -3.840 -11.001 1.00 0.00 H new ATOM 0 HA ASN A 78 2.818 -1.354 -11.152 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.932 -3.413 -10.343 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.483 -4.252 -11.815 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.028 -2.654 -11.824 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.136 -3.439 -10.516 1.00 0.00 H new ATOM 1268 N THR A 79 2.494 -0.886 -13.552 1.00 0.00 N ATOM 1269 CA THR A 79 2.269 -0.558 -14.954 1.00 0.00 C ATOM 1270 C THR A 79 3.061 -1.485 -15.869 1.00 0.00 C ATOM 1271 O THR A 79 2.543 -1.970 -16.874 1.00 0.00 O ATOM 1272 CB THR A 79 2.657 0.901 -15.259 1.00 0.00 C ATOM 1273 OG1 THR A 79 4.070 1.074 -15.107 1.00 0.00 O ATOM 1274 CG2 THR A 79 1.921 1.860 -14.336 1.00 0.00 C ATOM 0 H THR A 79 2.813 -0.103 -12.982 1.00 0.00 H new ATOM 0 HA THR A 79 1.203 -0.689 -15.142 1.00 0.00 H new ATOM 0 HB THR A 79 2.373 1.122 -16.288 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.309 2.004 -15.304 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.211 2.884 -14.570 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.846 1.746 -14.475 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.178 1.638 -13.300 1.00 0.00 H new ATOM 1282 N GLU A 80 4.319 -1.727 -15.514 1.00 0.00 N ATOM 1283 CA GLU A 80 5.182 -2.596 -16.305 1.00 0.00 C ATOM 1284 C GLU A 80 4.990 -4.058 -15.910 1.00 0.00 C ATOM 1285 O GLU A 80 4.694 -4.366 -14.756 1.00 0.00 O ATOM 1286 CB GLU A 80 6.648 -2.196 -16.126 1.00 0.00 C ATOM 1287 CG GLU A 80 7.188 -2.471 -14.733 1.00 0.00 C ATOM 1288 CD GLU A 80 8.685 -2.714 -14.725 1.00 0.00 C ATOM 1289 OE1 GLU A 80 9.175 -3.427 -15.625 1.00 0.00 O ATOM 1290 OE2 GLU A 80 9.365 -2.192 -13.817 1.00 0.00 O ATOM 0 H GLU A 80 4.763 -1.334 -14.684 1.00 0.00 H new ATOM 0 HA GLU A 80 4.907 -2.482 -17.354 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.254 -2.734 -16.854 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.755 -1.134 -16.345 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.957 -1.626 -14.085 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.680 -3.341 -14.316 1.00 0.00 H new ATOM 1297 N GLN A 81 5.162 -4.953 -16.877 1.00 0.00 N ATOM 1298 CA GLN A 81 5.006 -6.382 -16.631 1.00 0.00 C ATOM 1299 C GLN A 81 5.952 -6.851 -15.530 1.00 0.00 C ATOM 1300 O GLN A 81 7.116 -7.156 -15.787 1.00 0.00 O ATOM 1301 CB GLN A 81 5.267 -7.173 -17.914 1.00 0.00 C ATOM 1302 CG GLN A 81 4.680 -8.575 -17.895 1.00 0.00 C ATOM 1303 CD GLN A 81 4.292 -9.065 -19.276 1.00 0.00 C ATOM 1304 OE1 GLN A 81 5.152 -9.385 -20.098 1.00 0.00 O ATOM 1305 NE2 GLN A 81 2.992 -9.127 -19.539 1.00 0.00 N ATOM 0 H GLN A 81 5.409 -4.714 -17.837 1.00 0.00 H new ATOM 0 HA GLN A 81 3.981 -6.559 -16.305 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.851 -6.625 -18.759 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.343 -7.241 -18.077 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.406 -9.263 -17.461 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.802 -8.588 -17.249 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.314 -8.852 -18.828 1.00 0.00 H new ATOM 0 HE22 GLN A 81 2.671 -9.450 -20.452 1.00 0.00 H new ATOM 1314 N ARG A 82 5.443 -6.905 -14.304 1.00 0.00 N ATOM 1315 CA ARG A 82 6.242 -7.335 -13.163 1.00 0.00 C ATOM 1316 C ARG A 82 5.350 -7.847 -12.036 1.00 0.00 C ATOM 1317 O ARG A 82 4.126 -7.855 -12.155 1.00 0.00 O ATOM 1318 CB ARG A 82 7.110 -6.181 -12.657 1.00 0.00 C ATOM 1319 CG ARG A 82 8.353 -5.940 -13.498 1.00 0.00 C ATOM 1320 CD ARG A 82 9.227 -4.849 -12.900 1.00 0.00 C ATOM 1321 NE ARG A 82 9.810 -5.253 -11.623 1.00 0.00 N ATOM 1322 CZ ARG A 82 9.197 -5.102 -10.455 1.00 0.00 C ATOM 1323 NH1 ARG A 82 7.989 -4.560 -10.401 1.00 0.00 N ATOM 1324 NH2 ARG A 82 9.793 -5.495 -9.336 1.00 0.00 N ATOM 0 H ARG A 82 4.481 -6.656 -14.075 1.00 0.00 H new ATOM 0 HA ARG A 82 6.888 -8.150 -13.490 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.513 -5.270 -12.637 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.411 -6.387 -11.630 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.925 -6.864 -13.576 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.060 -5.660 -14.510 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.025 -4.599 -13.600 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.633 -3.946 -12.758 1.00 0.00 H new ATOM 0 HE ARG A 82 10.739 -5.674 -11.629 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.527 -4.257 -11.259 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.521 -4.446 -9.502 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.723 -5.913 -9.373 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.321 -5.379 -8.439 1.00 0.00 H new ATOM 1338 N ASN A 83 5.974 -8.273 -10.942 1.00 0.00 N ATOM 1339 CA ASN A 83 5.236 -8.788 -9.794 1.00 0.00 C ATOM 1340 C ASN A 83 5.370 -7.850 -8.597 1.00 0.00 C ATOM 1341 O ASN A 83 6.446 -7.722 -8.013 1.00 0.00 O ATOM 1342 CB ASN A 83 5.741 -10.183 -9.421 1.00 0.00 C ATOM 1343 CG ASN A 83 7.255 -10.262 -9.393 1.00 0.00 C ATOM 1344 OD1 ASN A 83 7.830 -10.938 -10.380 1.00 0.00 O flip ATOM 1345 ND2 ASN A 83 7.899 -9.722 -8.493 1.00 0.00 N flip ATOM 0 H ASN A 83 6.987 -8.272 -10.826 1.00 0.00 H new ATOM 0 HA ASN A 83 4.183 -8.851 -10.069 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.347 -10.459 -8.443 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.355 -10.909 -10.136 1.00 0.00 H new ATOM 0 HD21 ASN A 83 7.414 -9.212 -7.754 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.917 -9.784 -8.486 1.00 0.00 H new ATOM 1352 N VAL A 84 4.269 -7.198 -8.238 1.00 0.00 N ATOM 1353 CA VAL A 84 4.262 -6.274 -7.110 1.00 0.00 C ATOM 1354 C VAL A 84 4.770 -6.950 -5.842 1.00 0.00 C ATOM 1355 O VAL A 84 5.809 -6.576 -5.299 1.00 0.00 O ATOM 1356 CB VAL A 84 2.850 -5.715 -6.851 1.00 0.00 C ATOM 1357 CG1 VAL A 84 2.808 -4.960 -5.531 1.00 0.00 C ATOM 1358 CG2 VAL A 84 2.412 -4.821 -8.001 1.00 0.00 C ATOM 0 H VAL A 84 3.371 -7.292 -8.712 1.00 0.00 H new ATOM 0 HA VAL A 84 4.928 -5.451 -7.371 1.00 0.00 H new ATOM 0 HB VAL A 84 2.153 -6.551 -6.786 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.803 -4.573 -5.365 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.076 -5.634 -4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.515 -4.131 -5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.412 -4.435 -7.801 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.109 -3.989 -8.101 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.400 -5.398 -8.926 1.00 0.00 H new ATOM 1368 N TYR A 85 4.030 -7.950 -5.374 1.00 0.00 N ATOM 1369 CA TYR A 85 4.404 -8.678 -4.168 1.00 0.00 C ATOM 1370 C TYR A 85 5.064 -10.009 -4.518 1.00 0.00 C ATOM 1371 O TYR A 85 5.268 -10.325 -5.690 1.00 0.00 O ATOM 1372 CB TYR A 85 3.174 -8.921 -3.292 1.00 0.00 C ATOM 1373 CG TYR A 85 3.501 -9.111 -1.828 1.00 0.00 C ATOM 1374 CD1 TYR A 85 4.086 -8.090 -1.088 1.00 0.00 C ATOM 1375 CD2 TYR A 85 3.227 -10.312 -1.184 1.00 0.00 C ATOM 1376 CE1 TYR A 85 4.388 -8.260 0.249 1.00 0.00 C ATOM 1377 CE2 TYR A 85 3.524 -10.489 0.153 1.00 0.00 C ATOM 1378 CZ TYR A 85 4.104 -9.460 0.865 1.00 0.00 C ATOM 1379 OH TYR A 85 4.403 -9.634 2.198 1.00 0.00 O ATOM 0 H TYR A 85 3.168 -8.274 -5.812 1.00 0.00 H new ATOM 0 HA TYR A 85 5.121 -8.071 -3.615 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.492 -8.078 -3.397 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.648 -9.804 -3.656 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.308 -7.148 -1.567 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.774 -11.120 -1.739 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.844 -7.457 0.809 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.303 -11.428 0.638 1.00 0.00 H new ATOM 0 HH TYR A 85 4.139 -10.535 2.478 1.00 0.00 H new ATOM 1389 N LYS A 86 5.395 -10.785 -3.491 1.00 0.00 N ATOM 1390 CA LYS A 86 6.030 -12.083 -3.687 1.00 0.00 C ATOM 1391 C LYS A 86 5.265 -12.914 -4.713 1.00 0.00 C ATOM 1392 O LYS A 86 5.811 -13.292 -5.750 1.00 0.00 O ATOM 1393 CB LYS A 86 6.110 -12.840 -2.359 1.00 0.00 C ATOM 1394 CG LYS A 86 6.894 -12.104 -1.286 1.00 0.00 C ATOM 1395 CD LYS A 86 7.218 -13.012 -0.112 1.00 0.00 C ATOM 1396 CE LYS A 86 6.125 -12.967 0.945 1.00 0.00 C ATOM 1397 NZ LYS A 86 4.991 -13.873 0.610 1.00 0.00 N ATOM 0 H LYS A 86 5.234 -10.537 -2.515 1.00 0.00 H new ATOM 0 HA LYS A 86 7.039 -11.913 -4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.100 -13.027 -1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 86 6.571 -13.812 -2.532 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.819 -11.714 -1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.318 -11.247 -0.936 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.342 -14.036 -0.466 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.167 -12.711 0.331 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.543 -13.250 1.911 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.757 -11.946 1.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.496 -14.147 1.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.329 -13.381 -0.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.355 -14.724 0.137 1.00 0.00 H new ATOM 1411 N ASP A 87 4.001 -13.192 -4.417 1.00 0.00 N ATOM 1412 CA ASP A 87 3.160 -13.976 -5.315 1.00 0.00 C ATOM 1413 C ASP A 87 1.784 -13.337 -5.468 1.00 0.00 C ATOM 1414 O ASP A 87 0.767 -14.031 -5.521 1.00 0.00 O ATOM 1415 CB ASP A 87 3.017 -15.407 -4.794 1.00 0.00 C ATOM 1416 CG ASP A 87 4.297 -16.207 -4.937 1.00 0.00 C ATOM 1417 OD1 ASP A 87 4.692 -16.494 -6.087 1.00 0.00 O ATOM 1418 OD2 ASP A 87 4.904 -16.544 -3.900 1.00 0.00 O ATOM 0 H ASP A 87 3.535 -12.887 -3.562 1.00 0.00 H new ATOM 0 HA ASP A 87 3.640 -14.000 -6.294 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.724 -15.381 -3.744 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.216 -15.909 -5.336 1.00 0.00 H new ATOM 1423 N LEU A 88 1.758 -12.010 -5.537 1.00 0.00 N ATOM 1424 CA LEU A 88 0.506 -11.276 -5.683 1.00 0.00 C ATOM 1425 C LEU A 88 0.650 -10.150 -6.701 1.00 0.00 C ATOM 1426 O LEU A 88 1.401 -9.198 -6.486 1.00 0.00 O ATOM 1427 CB LEU A 88 0.066 -10.706 -4.334 1.00 0.00 C ATOM 1428 CG LEU A 88 0.156 -11.659 -3.141 1.00 0.00 C ATOM 1429 CD1 LEU A 88 0.037 -10.891 -1.834 1.00 0.00 C ATOM 1430 CD2 LEU A 88 -0.921 -12.730 -3.232 1.00 0.00 C ATOM 0 H LEU A 88 2.590 -11.421 -5.494 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.253 -11.970 -6.042 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.673 -9.827 -4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.966 -10.366 -4.425 1.00 0.00 H new ATOM 0 HG LEU A 88 1.130 -12.148 -3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.103 -11.586 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.844 -10.162 -1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.922 -10.374 -1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.842 -13.399 -2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.904 -12.258 -3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.790 -13.301 -4.151 1.00 0.00 H new ATOM 1442 N ARG A 89 -0.075 -10.263 -7.809 1.00 0.00 N ATOM 1443 CA ARG A 89 -0.028 -9.254 -8.860 1.00 0.00 C ATOM 1444 C ARG A 89 -0.288 -7.863 -8.289 1.00 0.00 C ATOM 1445 O ARG A 89 0.445 -6.917 -8.576 1.00 0.00 O ATOM 1446 CB ARG A 89 -1.056 -9.571 -9.947 1.00 0.00 C ATOM 1447 CG ARG A 89 -0.525 -10.485 -11.040 1.00 0.00 C ATOM 1448 CD ARG A 89 -1.233 -10.241 -12.363 1.00 0.00 C ATOM 1449 NE ARG A 89 -0.605 -9.169 -13.130 1.00 0.00 N ATOM 1450 CZ ARG A 89 0.513 -9.324 -13.831 1.00 0.00 C ATOM 1451 NH1 ARG A 89 1.122 -10.501 -13.862 1.00 0.00 N ATOM 1452 NH2 ARG A 89 1.024 -8.300 -14.504 1.00 0.00 N ATOM 0 H ARG A 89 -0.702 -11.044 -8.002 1.00 0.00 H new ATOM 0 HA ARG A 89 0.970 -9.268 -9.298 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.927 -10.037 -9.487 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.395 -8.638 -10.398 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.546 -10.322 -11.164 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.657 -11.525 -10.742 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.228 -11.159 -12.951 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.277 -9.989 -12.175 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.049 -8.251 -13.128 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.732 -11.291 -13.347 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.980 -10.617 -14.401 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.558 -7.393 -14.483 1.00 0.00 H new ATOM 0 HH22 ARG A 89 1.882 -8.421 -15.042 1.00 0.00 H new ATOM 1466 N GLN A 90 -1.337 -7.747 -7.481 1.00 0.00 N ATOM 1467 CA GLN A 90 -1.694 -6.471 -6.872 1.00 0.00 C ATOM 1468 C GLN A 90 -1.986 -6.641 -5.385 1.00 0.00 C ATOM 1469 O GLN A 90 -2.489 -7.680 -4.956 1.00 0.00 O ATOM 1470 CB GLN A 90 -2.910 -5.868 -7.577 1.00 0.00 C ATOM 1471 CG GLN A 90 -3.990 -6.886 -7.907 1.00 0.00 C ATOM 1472 CD GLN A 90 -4.924 -7.145 -6.741 1.00 0.00 C ATOM 1473 OE1 GLN A 90 -5.444 -6.075 -6.151 1.00 0.00 O flip ATOM 1474 NE2 GLN A 90 -5.175 -8.293 -6.375 1.00 0.00 N flip ATOM 0 H GLN A 90 -1.954 -8.520 -7.233 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.847 -5.794 -6.982 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.337 -5.090 -6.944 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.583 -5.386 -8.498 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.569 -6.532 -8.760 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.521 -7.823 -8.207 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -4.753 -9.086 -6.858 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.805 -8.451 -5.589 1.00 0.00 H new ATOM 1483 N ILE A 91 -1.667 -5.614 -4.604 1.00 0.00 N ATOM 1484 CA ILE A 91 -1.896 -5.650 -3.165 1.00 0.00 C ATOM 1485 C ILE A 91 -3.058 -4.745 -2.770 1.00 0.00 C ATOM 1486 O ILE A 91 -3.136 -3.596 -3.202 1.00 0.00 O ATOM 1487 CB ILE A 91 -0.639 -5.223 -2.384 1.00 0.00 C ATOM 1488 CG1 ILE A 91 0.534 -6.145 -2.720 1.00 0.00 C ATOM 1489 CG2 ILE A 91 -0.916 -5.234 -0.888 1.00 0.00 C ATOM 1490 CD1 ILE A 91 1.787 -5.843 -1.927 1.00 0.00 C ATOM 0 H ILE A 91 -1.250 -4.747 -4.944 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.139 -6.681 -2.910 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.374 -4.207 -2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.238 -7.178 -2.537 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.758 -6.062 -3.783 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.018 -4.930 -0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.726 -4.541 -0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.202 -6.239 -0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.577 -6.536 -2.217 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.108 -4.821 -2.129 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.580 -5.955 -0.863 1.00 0.00 H new ATOM 1502 N GLU A 92 -3.959 -5.272 -1.946 1.00 0.00 N ATOM 1503 CA GLU A 92 -5.116 -4.510 -1.492 1.00 0.00 C ATOM 1504 C GLU A 92 -4.910 -4.004 -0.068 1.00 0.00 C ATOM 1505 O GLU A 92 -4.658 -4.785 0.851 1.00 0.00 O ATOM 1506 CB GLU A 92 -6.380 -5.370 -1.562 1.00 0.00 C ATOM 1507 CG GLU A 92 -6.883 -5.599 -2.977 1.00 0.00 C ATOM 1508 CD GLU A 92 -8.382 -5.822 -3.035 1.00 0.00 C ATOM 1509 OE1 GLU A 92 -9.134 -4.911 -2.628 1.00 0.00 O ATOM 1510 OE2 GLU A 92 -8.803 -6.907 -3.486 1.00 0.00 O ATOM 0 H GLU A 92 -3.910 -6.223 -1.580 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.233 -3.650 -2.151 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.179 -6.335 -1.096 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -7.167 -4.892 -0.979 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -6.623 -4.739 -3.594 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -6.374 -6.463 -3.404 1.00 0.00 H new ATOM 1517 N LEU A 93 -5.018 -2.692 0.109 1.00 0.00 N ATOM 1518 CA LEU A 93 -4.844 -2.080 1.421 1.00 0.00 C ATOM 1519 C LEU A 93 -6.146 -1.449 1.906 1.00 0.00 C ATOM 1520 O LEU A 93 -6.749 -0.634 1.208 1.00 0.00 O ATOM 1521 CB LEU A 93 -3.740 -1.022 1.370 1.00 0.00 C ATOM 1522 CG LEU A 93 -2.411 -1.469 0.759 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -1.698 -0.291 0.113 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -1.528 -2.114 1.816 1.00 0.00 C ATOM 0 H LEU A 93 -5.225 -2.031 -0.640 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.557 -2.863 2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.109 -0.168 0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.551 -0.673 2.385 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.619 -2.210 -0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.754 -0.628 -0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.326 0.127 -0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.502 0.473 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.587 -2.426 1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.328 -1.395 2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.036 -2.984 2.233 1.00 0.00 H new ATOM 1536 N ALA A 94 -6.571 -1.830 3.106 1.00 0.00 N ATOM 1537 CA ALA A 94 -7.798 -1.298 3.685 1.00 0.00 C ATOM 1538 C ALA A 94 -7.514 -0.070 4.544 1.00 0.00 C ATOM 1539 O ALA A 94 -6.365 0.199 4.896 1.00 0.00 O ATOM 1540 CB ALA A 94 -8.500 -2.368 4.508 1.00 0.00 C ATOM 0 H ALA A 94 -6.084 -2.505 3.696 1.00 0.00 H new ATOM 0 HA ALA A 94 -8.453 -0.994 2.868 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.415 -1.957 4.935 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.747 -3.215 3.868 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.842 -2.699 5.311 1.00 0.00 H new ATOM 1546 N CYS A 95 -8.565 0.670 4.876 1.00 0.00 N ATOM 1547 CA CYS A 95 -8.427 1.871 5.692 1.00 0.00 C ATOM 1548 C CYS A 95 -9.603 2.013 6.654 1.00 0.00 C ATOM 1549 O CYS A 95 -10.626 1.344 6.502 1.00 0.00 O ATOM 1550 CB CYS A 95 -8.329 3.110 4.801 1.00 0.00 C ATOM 1551 SG CYS A 95 -6.677 3.408 4.129 1.00 0.00 S ATOM 0 H CYS A 95 -9.522 0.460 4.593 1.00 0.00 H new ATOM 0 HA CYS A 95 -7.512 1.780 6.277 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -9.032 3.007 3.975 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -8.639 3.983 5.376 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.234 4.552 4.558 1.00 0.00 H new ATOM 1557 N ASP A 96 -9.449 2.885 7.643 1.00 0.00 N ATOM 1558 CA ASP A 96 -10.498 3.115 8.630 1.00 0.00 C ATOM 1559 C ASP A 96 -11.684 3.842 8.005 1.00 0.00 C ATOM 1560 O ASP A 96 -12.832 3.431 8.167 1.00 0.00 O ATOM 1561 CB ASP A 96 -9.951 3.923 9.808 1.00 0.00 C ATOM 1562 CG ASP A 96 -11.051 4.462 10.701 1.00 0.00 C ATOM 1563 OD1 ASP A 96 -11.703 3.652 11.394 1.00 0.00 O ATOM 1564 OD2 ASP A 96 -11.260 5.693 10.708 1.00 0.00 O ATOM 0 H ASP A 96 -8.608 3.445 7.783 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.840 2.146 8.992 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.284 3.294 10.398 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.355 4.753 9.430 1.00 0.00 H new ATOM 1569 N SER A 97 -11.397 4.926 7.290 1.00 0.00 N ATOM 1570 CA SER A 97 -12.440 5.714 6.644 1.00 0.00 C ATOM 1571 C SER A 97 -11.926 6.339 5.351 1.00 0.00 C ATOM 1572 O SER A 97 -10.723 6.356 5.093 1.00 0.00 O ATOM 1573 CB SER A 97 -12.941 6.808 7.589 1.00 0.00 C ATOM 1574 OG SER A 97 -12.031 7.892 7.642 1.00 0.00 O ATOM 0 H SER A 97 -10.451 5.278 7.144 1.00 0.00 H new ATOM 0 HA SER A 97 -13.267 5.047 6.401 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.916 7.163 7.255 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.078 6.395 8.588 1.00 0.00 H new ATOM 0 HG SER A 97 -12.502 8.700 7.935 1.00 0.00 H new ATOM 1580 N GLN A 98 -12.848 6.850 4.542 1.00 0.00 N ATOM 1581 CA GLN A 98 -12.489 7.476 3.274 1.00 0.00 C ATOM 1582 C GLN A 98 -11.355 8.478 3.464 1.00 0.00 C ATOM 1583 O GLN A 98 -10.372 8.464 2.723 1.00 0.00 O ATOM 1584 CB GLN A 98 -13.705 8.174 2.663 1.00 0.00 C ATOM 1585 CG GLN A 98 -13.441 8.763 1.287 1.00 0.00 C ATOM 1586 CD GLN A 98 -13.685 7.768 0.170 1.00 0.00 C ATOM 1587 OE1 GLN A 98 -14.759 7.743 -0.431 1.00 0.00 O ATOM 1588 NE2 GLN A 98 -12.685 6.942 -0.116 1.00 0.00 N ATOM 0 H GLN A 98 -13.848 6.843 4.741 1.00 0.00 H new ATOM 0 HA GLN A 98 -12.149 6.694 2.595 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -14.526 7.460 2.592 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -14.032 8.969 3.333 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -14.081 9.633 1.140 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -12.410 9.113 1.238 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -11.812 6.998 0.408 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -12.790 6.252 -0.860 1.00 0.00 H new ATOM 1597 N GLU A 99 -11.499 9.345 4.461 1.00 0.00 N ATOM 1598 CA GLU A 99 -10.486 10.355 4.746 1.00 0.00 C ATOM 1599 C GLU A 99 -9.083 9.762 4.645 1.00 0.00 C ATOM 1600 O GLU A 99 -8.255 10.228 3.861 1.00 0.00 O ATOM 1601 CB GLU A 99 -10.702 10.947 6.140 1.00 0.00 C ATOM 1602 CG GLU A 99 -12.034 11.660 6.299 1.00 0.00 C ATOM 1603 CD GLU A 99 -12.468 11.770 7.747 1.00 0.00 C ATOM 1604 OE1 GLU A 99 -12.546 10.723 8.424 1.00 0.00 O ATOM 1605 OE2 GLU A 99 -12.729 12.903 8.204 1.00 0.00 O ATOM 0 H GLU A 99 -12.306 9.369 5.084 1.00 0.00 H new ATOM 0 HA GLU A 99 -10.581 11.148 4.004 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -10.637 10.148 6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -9.896 11.648 6.357 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -11.961 12.659 5.869 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.798 11.125 5.734 1.00 0.00 H new ATOM 1612 N ASP A 100 -8.824 8.732 5.443 1.00 0.00 N ATOM 1613 CA ASP A 100 -7.522 8.075 5.445 1.00 0.00 C ATOM 1614 C ASP A 100 -7.062 7.778 4.021 1.00 0.00 C ATOM 1615 O ASP A 100 -5.929 8.083 3.647 1.00 0.00 O ATOM 1616 CB ASP A 100 -7.583 6.778 6.254 1.00 0.00 C ATOM 1617 CG ASP A 100 -6.256 6.440 6.906 1.00 0.00 C ATOM 1618 OD1 ASP A 100 -5.217 6.944 6.432 1.00 0.00 O ATOM 1619 OD2 ASP A 100 -6.258 5.672 7.890 1.00 0.00 O ATOM 0 H ASP A 100 -9.498 8.334 6.097 1.00 0.00 H new ATOM 0 HA ASP A 100 -6.802 8.750 5.908 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.350 6.869 7.023 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -7.882 5.959 5.600 1.00 0.00 H new ATOM 1624 N VAL A 101 -7.948 7.181 3.230 1.00 0.00 N ATOM 1625 CA VAL A 101 -7.632 6.843 1.847 1.00 0.00 C ATOM 1626 C VAL A 101 -7.334 8.095 1.030 1.00 0.00 C ATOM 1627 O VAL A 101 -6.360 8.140 0.277 1.00 0.00 O ATOM 1628 CB VAL A 101 -8.787 6.071 1.180 1.00 0.00 C ATOM 1629 CG1 VAL A 101 -8.481 5.814 -0.287 1.00 0.00 C ATOM 1630 CG2 VAL A 101 -9.049 4.766 1.915 1.00 0.00 C ATOM 0 H VAL A 101 -8.890 6.922 3.523 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.746 6.208 1.870 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.689 6.681 1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.308 5.268 -0.741 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.348 6.765 -0.803 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.568 5.225 -0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -9.868 4.234 1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.151 4.149 1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.317 4.979 2.950 1.00 0.00 H new ATOM 1640 N ASP A 102 -8.177 9.110 1.183 1.00 0.00 N ATOM 1641 CA ASP A 102 -8.003 10.364 0.461 1.00 0.00 C ATOM 1642 C ASP A 102 -6.597 10.920 0.666 1.00 0.00 C ATOM 1643 O ASP A 102 -5.927 11.309 -0.290 1.00 0.00 O ATOM 1644 CB ASP A 102 -9.042 11.390 0.918 1.00 0.00 C ATOM 1645 CG ASP A 102 -10.315 11.330 0.097 1.00 0.00 C ATOM 1646 OD1 ASP A 102 -10.641 10.237 -0.414 1.00 0.00 O ATOM 1647 OD2 ASP A 102 -10.986 12.374 -0.033 1.00 0.00 O ATOM 0 H ASP A 102 -8.988 9.089 1.801 1.00 0.00 H new ATOM 0 HA ASP A 102 -8.144 10.164 -0.601 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -9.281 11.218 1.967 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -8.615 12.391 0.849 1.00 0.00 H new ATOM 1652 N SER A 103 -6.158 10.954 1.920 1.00 0.00 N ATOM 1653 CA SER A 103 -4.834 11.466 2.253 1.00 0.00 C ATOM 1654 C SER A 103 -3.744 10.530 1.738 1.00 0.00 C ATOM 1655 O SER A 103 -2.717 10.977 1.229 1.00 0.00 O ATOM 1656 CB SER A 103 -4.697 11.643 3.766 1.00 0.00 C ATOM 1657 OG SER A 103 -3.719 12.619 4.079 1.00 0.00 O ATOM 0 H SER A 103 -6.700 10.633 2.722 1.00 0.00 H new ATOM 0 HA SER A 103 -4.715 12.436 1.769 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.657 11.937 4.189 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.425 10.692 4.223 1.00 0.00 H new ATOM 0 HG SER A 103 -3.955 13.060 4.921 1.00 0.00 H new ATOM 1663 N TRP A 104 -3.977 9.230 1.876 1.00 0.00 N ATOM 1664 CA TRP A 104 -3.016 8.230 1.426 1.00 0.00 C ATOM 1665 C TRP A 104 -2.785 8.334 -0.077 1.00 0.00 C ATOM 1666 O TRP A 104 -1.655 8.219 -0.552 1.00 0.00 O ATOM 1667 CB TRP A 104 -3.506 6.825 1.783 1.00 0.00 C ATOM 1668 CG TRP A 104 -3.055 6.364 3.136 1.00 0.00 C ATOM 1669 CD1 TRP A 104 -3.850 6.029 4.194 1.00 0.00 C ATOM 1670 CD2 TRP A 104 -1.704 6.191 3.575 1.00 0.00 C ATOM 1671 NE1 TRP A 104 -3.074 5.657 5.265 1.00 0.00 N ATOM 1672 CE2 TRP A 104 -1.754 5.747 4.911 1.00 0.00 C ATOM 1673 CE3 TRP A 104 -0.456 6.365 2.970 1.00 0.00 C ATOM 1674 CZ2 TRP A 104 -0.605 5.477 5.649 1.00 0.00 C ATOM 1675 CZ3 TRP A 104 0.684 6.097 3.704 1.00 0.00 C ATOM 1676 CH2 TRP A 104 0.603 5.656 5.031 1.00 0.00 C ATOM 0 H TRP A 104 -4.823 8.844 2.296 1.00 0.00 H new ATOM 0 HA TRP A 104 -2.070 8.418 1.934 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -4.595 6.808 1.746 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -3.150 6.122 1.030 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -4.930 6.053 4.190 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -3.424 5.362 6.176 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -0.384 6.703 1.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -0.665 5.138 6.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 1.653 6.230 3.247 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.512 5.453 5.578 1.00 0.00 H new ATOM 1687 N LYS A 105 -3.863 8.555 -0.823 1.00 0.00 N ATOM 1688 CA LYS A 105 -3.778 8.677 -2.274 1.00 0.00 C ATOM 1689 C LYS A 105 -3.140 10.004 -2.671 1.00 0.00 C ATOM 1690 O LYS A 105 -2.172 10.034 -3.431 1.00 0.00 O ATOM 1691 CB LYS A 105 -5.171 8.561 -2.898 1.00 0.00 C ATOM 1692 CG LYS A 105 -5.804 7.192 -2.723 1.00 0.00 C ATOM 1693 CD LYS A 105 -7.203 7.145 -3.315 1.00 0.00 C ATOM 1694 CE LYS A 105 -7.593 5.729 -3.711 1.00 0.00 C ATOM 1695 NZ LYS A 105 -8.789 5.711 -4.598 1.00 0.00 N ATOM 0 H LYS A 105 -4.806 8.653 -0.446 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.151 7.867 -2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.823 9.313 -2.453 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.103 8.787 -3.962 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.180 6.438 -3.202 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.848 6.943 -1.663 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.919 7.532 -2.590 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.252 7.795 -4.189 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.756 5.251 -4.220 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.797 5.144 -2.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.023 4.728 -4.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.595 6.145 -4.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.586 6.248 -5.465 1.00 0.00 H new ATOM 1709 N ALA A 106 -3.687 11.098 -2.152 1.00 0.00 N ATOM 1710 CA ALA A 106 -3.168 12.427 -2.450 1.00 0.00 C ATOM 1711 C ALA A 106 -1.675 12.513 -2.152 1.00 0.00 C ATOM 1712 O ALA A 106 -0.936 13.225 -2.832 1.00 0.00 O ATOM 1713 CB ALA A 106 -3.928 13.480 -1.659 1.00 0.00 C ATOM 0 H ALA A 106 -4.490 11.090 -1.523 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.310 12.615 -3.514 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -3.530 14.468 -1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -4.984 13.443 -1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -3.816 13.285 -0.592 1.00 0.00 H new ATOM 1719 N SER A 107 -1.237 11.784 -1.130 1.00 0.00 N ATOM 1720 CA SER A 107 0.167 11.782 -0.739 1.00 0.00 C ATOM 1721 C SER A 107 1.029 11.119 -1.810 1.00 0.00 C ATOM 1722 O SER A 107 2.137 11.571 -2.098 1.00 0.00 O ATOM 1723 CB SER A 107 0.346 11.057 0.596 1.00 0.00 C ATOM 1724 OG SER A 107 0.111 9.666 0.456 1.00 0.00 O ATOM 0 H SER A 107 -1.835 11.187 -0.558 1.00 0.00 H new ATOM 0 HA SER A 107 0.488 12.818 -0.628 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.356 11.223 0.971 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.340 11.473 1.334 1.00 0.00 H new ATOM 0 HG SER A 107 -0.631 9.521 -0.167 1.00 0.00 H new ATOM 1730 N PHE A 108 0.510 10.045 -2.396 1.00 0.00 N ATOM 1731 CA PHE A 108 1.231 9.318 -3.434 1.00 0.00 C ATOM 1732 C PHE A 108 1.576 10.238 -4.603 1.00 0.00 C ATOM 1733 O PHE A 108 2.650 10.131 -5.196 1.00 0.00 O ATOM 1734 CB PHE A 108 0.397 8.135 -3.931 1.00 0.00 C ATOM 1735 CG PHE A 108 0.635 6.869 -3.159 1.00 0.00 C ATOM 1736 CD1 PHE A 108 1.854 6.214 -3.235 1.00 0.00 C ATOM 1737 CD2 PHE A 108 -0.360 6.333 -2.357 1.00 0.00 C ATOM 1738 CE1 PHE A 108 2.075 5.048 -2.526 1.00 0.00 C ATOM 1739 CE2 PHE A 108 -0.145 5.168 -1.645 1.00 0.00 C ATOM 1740 CZ PHE A 108 1.075 4.525 -1.729 1.00 0.00 C ATOM 0 H PHE A 108 -0.407 9.659 -2.170 1.00 0.00 H new ATOM 0 HA PHE A 108 2.159 8.944 -3.002 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -0.660 8.395 -3.871 1.00 0.00 H new ATOM 0 HB3 PHE A 108 0.622 7.958 -4.983 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.640 6.619 -3.855 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -1.315 6.832 -2.287 1.00 0.00 H new ATOM 0 HE1 PHE A 108 3.029 4.546 -2.595 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.929 4.761 -1.024 1.00 0.00 H new ATOM 0 HZ PHE A 108 1.247 3.615 -1.173 1.00 0.00 H new ATOM 1750 N LEU A 109 0.657 11.140 -4.928 1.00 0.00 N ATOM 1751 CA LEU A 109 0.861 12.078 -6.026 1.00 0.00 C ATOM 1752 C LEU A 109 2.156 12.863 -5.837 1.00 0.00 C ATOM 1753 O LEU A 109 2.953 12.997 -6.766 1.00 0.00 O ATOM 1754 CB LEU A 109 -0.323 13.042 -6.127 1.00 0.00 C ATOM 1755 CG LEU A 109 -1.520 12.551 -6.941 1.00 0.00 C ATOM 1756 CD1 LEU A 109 -2.512 11.824 -6.046 1.00 0.00 C ATOM 1757 CD2 LEU A 109 -2.194 13.715 -7.653 1.00 0.00 C ATOM 0 H LEU A 109 -0.237 11.242 -4.447 1.00 0.00 H new ATOM 0 HA LEU A 109 0.935 11.506 -6.951 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.665 13.273 -5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.030 13.975 -6.565 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.160 11.850 -7.694 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.357 11.482 -6.643 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.024 10.966 -5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.867 12.502 -5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.044 13.347 -8.228 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.540 14.440 -6.917 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.481 14.192 -8.325 1.00 0.00 H new ATOM 1769 N ARG A 110 2.359 13.377 -4.629 1.00 0.00 N ATOM 1770 CA ARG A 110 3.557 14.147 -4.318 1.00 0.00 C ATOM 1771 C ARG A 110 4.815 13.376 -4.705 1.00 0.00 C ATOM 1772 O ARG A 110 5.787 13.956 -5.189 1.00 0.00 O ATOM 1773 CB ARG A 110 3.596 14.492 -2.828 1.00 0.00 C ATOM 1774 CG ARG A 110 2.780 15.722 -2.466 1.00 0.00 C ATOM 1775 CD ARG A 110 2.892 16.048 -0.985 1.00 0.00 C ATOM 1776 NE ARG A 110 2.107 17.225 -0.623 1.00 0.00 N ATOM 1777 CZ ARG A 110 1.927 17.633 0.629 1.00 0.00 C ATOM 1778 NH1 ARG A 110 2.475 16.962 1.633 1.00 0.00 N ATOM 1779 NH2 ARG A 110 1.199 18.714 0.878 1.00 0.00 N ATOM 0 H ARG A 110 1.709 13.274 -3.849 1.00 0.00 H new ATOM 0 HA ARG A 110 3.525 15.070 -4.897 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.227 13.640 -2.257 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.632 14.652 -2.528 1.00 0.00 H new ATOM 0 HG2 ARG A 110 3.123 16.573 -3.054 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.734 15.556 -2.725 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.555 15.193 -0.399 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.938 16.217 -0.729 1.00 0.00 H new ATOM 0 HE ARG A 110 1.673 17.764 -1.372 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.036 16.131 1.445 1.00 0.00 H new ATOM 0 HH12 ARG A 110 2.336 17.277 2.593 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.777 19.233 0.108 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.062 19.026 1.839 1.00 0.00 H new ATOM 1793 N ALA A 111 4.789 12.065 -4.489 1.00 0.00 N ATOM 1794 CA ALA A 111 5.926 11.214 -4.816 1.00 0.00 C ATOM 1795 C ALA A 111 6.091 11.074 -6.326 1.00 0.00 C ATOM 1796 O ALA A 111 7.206 10.947 -6.830 1.00 0.00 O ATOM 1797 CB ALA A 111 5.764 9.845 -4.172 1.00 0.00 C ATOM 0 H ALA A 111 3.993 11.569 -4.089 1.00 0.00 H new ATOM 0 HA ALA A 111 6.826 11.685 -4.420 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.621 9.220 -4.425 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.704 9.957 -3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 111 4.851 9.376 -4.540 1.00 0.00 H new ATOM 1803 N GLY A 112 4.971 11.098 -7.043 1.00 0.00 N ATOM 1804 CA GLY A 112 5.013 10.972 -8.488 1.00 0.00 C ATOM 1805 C GLY A 112 4.247 9.763 -8.988 1.00 0.00 C ATOM 1806 O GLY A 112 4.664 9.103 -9.939 1.00 0.00 O ATOM 0 H GLY A 112 4.036 11.202 -6.649 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.599 11.873 -8.940 1.00 0.00 H new ATOM 0 HA3 GLY A 112 6.051 10.900 -8.813 1.00 0.00 H new ATOM 1810 N VAL A 113 3.121 9.470 -8.343 1.00 0.00 N ATOM 1811 CA VAL A 113 2.295 8.332 -8.727 1.00 0.00 C ATOM 1812 C VAL A 113 0.929 8.789 -9.226 1.00 0.00 C ATOM 1813 O VAL A 113 0.650 8.751 -10.424 1.00 0.00 O ATOM 1814 CB VAL A 113 2.099 7.358 -7.549 1.00 0.00 C ATOM 1815 CG1 VAL A 113 1.224 6.186 -7.965 1.00 0.00 C ATOM 1816 CG2 VAL A 113 3.445 6.872 -7.032 1.00 0.00 C ATOM 0 H VAL A 113 2.761 10.005 -7.553 1.00 0.00 H new ATOM 0 HA VAL A 113 2.820 7.817 -9.532 1.00 0.00 H new ATOM 0 HB VAL A 113 1.594 7.888 -6.741 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.097 5.509 -7.120 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.249 6.555 -8.284 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.698 5.653 -8.789 1.00 0.00 H new ATOM 0 HG21 VAL A 113 3.289 6.185 -6.200 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.978 6.358 -7.832 1.00 0.00 H new ATOM 0 HG23 VAL A 113 4.034 7.724 -6.693 1.00 0.00 H new TER 1826 VAL A 113