USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 740 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 ASN : amide:sc= -0.804 K(o=-2.9,f=-1.9) USER MOD Set 1.2: A 42 GLN : amide:sc= -2.13 K(o=-2.9,f=-2.1) 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 34:sc= 0.522 USER MOD Single : A 5 SER OG : rot 180:sc= -0.655 USER MOD Single : A 6 SER OG : rot 59:sc= 0.85 USER MOD Single : A 16 CYS SG : rot -23:sc= 0.0377 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 19 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00395) USER MOD Single : A 20 HIS : no HD1:sc= -1.7 X(o=-1.7,f=-1.3) USER MOD Single : A 21 TYR OH : rot 165:sc= -0.115 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -127:sc= 1.17 (180deg=-0.773!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.3!) USER MOD Single : A 40 GLN : amide:sc= -4.17! K(o=-4.2!,f=-3.4) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00518 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc=-0.00248 X(o=-0.0025,f=-0.21) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -178:sc= -0.592 (180deg=-0.6) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -1.39 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 166:sc= -0.0133 (180deg=-0.184) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.207 -4.657 24.842 1.00 0.00 N ATOM 2 CA GLY A 1 -7.750 -3.328 24.484 1.00 0.00 C ATOM 3 C GLY A 1 -8.895 -2.357 24.278 1.00 0.00 C ATOM 4 O GLY A 1 -9.377 -1.742 25.230 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.387 -5.283 24.972 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.750 -4.610 25.728 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.812 -5.032 24.084 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.093 -2.950 25.268 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.157 -3.385 23.571 1.00 0.00 H new ATOM 8 N SER A 2 -9.333 -2.214 23.031 1.00 0.00 N ATOM 9 CA SER A 2 -10.425 -1.306 22.702 1.00 0.00 C ATOM 10 C SER A 2 -10.000 0.146 22.894 1.00 0.00 C ATOM 11 O SER A 2 -10.782 0.977 23.357 1.00 0.00 O ATOM 12 CB SER A 2 -11.648 -1.610 23.570 1.00 0.00 C ATOM 13 OG SER A 2 -12.849 -1.292 22.888 1.00 0.00 O ATOM 0 H SER A 2 -8.948 -2.716 22.231 1.00 0.00 H new ATOM 0 HA SER A 2 -10.686 -1.455 21.654 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.650 -2.665 23.844 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.591 -1.040 24.497 1.00 0.00 H new ATOM 0 HG SER A 2 -13.616 -1.497 23.463 1.00 0.00 H new ATOM 19 N SER A 3 -8.755 0.445 22.535 1.00 0.00 N ATOM 20 CA SER A 3 -8.224 1.796 22.670 1.00 0.00 C ATOM 21 C SER A 3 -7.382 2.173 21.455 1.00 0.00 C ATOM 22 O SER A 3 -6.381 1.525 21.154 1.00 0.00 O ATOM 23 CB SER A 3 -7.383 1.911 23.943 1.00 0.00 C ATOM 24 OG SER A 3 -6.243 1.073 23.877 1.00 0.00 O ATOM 0 H SER A 3 -8.096 -0.231 22.149 1.00 0.00 H new ATOM 0 HA SER A 3 -9.065 2.486 22.735 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.070 2.946 24.084 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.988 1.640 24.808 1.00 0.00 H new ATOM 0 HG SER A 3 -5.921 1.031 22.952 1.00 0.00 H new ATOM 30 N GLY A 4 -7.798 3.227 20.759 1.00 0.00 N ATOM 31 CA GLY A 4 -7.072 3.673 19.584 1.00 0.00 C ATOM 32 C GLY A 4 -6.861 5.175 19.569 1.00 0.00 C ATOM 33 O GLY A 4 -7.559 5.914 20.262 1.00 0.00 O ATOM 0 H GLY A 4 -8.624 3.780 20.988 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.104 3.173 19.547 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.619 3.377 18.689 1.00 0.00 H new ATOM 37 N SER A 5 -5.895 5.626 18.775 1.00 0.00 N ATOM 38 CA SER A 5 -5.590 7.049 18.676 1.00 0.00 C ATOM 39 C SER A 5 -5.713 7.532 17.234 1.00 0.00 C ATOM 40 O SER A 5 -5.927 6.738 16.318 1.00 0.00 O ATOM 41 CB SER A 5 -4.179 7.328 19.200 1.00 0.00 C ATOM 42 OG SER A 5 -3.752 8.631 18.845 1.00 0.00 O ATOM 0 H SER A 5 -5.311 5.027 18.191 1.00 0.00 H new ATOM 0 HA SER A 5 -6.311 7.593 19.286 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.162 7.219 20.284 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.485 6.591 18.795 1.00 0.00 H new ATOM 0 HG SER A 5 -2.849 8.785 19.193 1.00 0.00 H new ATOM 48 N SER A 6 -5.577 8.840 17.042 1.00 0.00 N ATOM 49 CA SER A 6 -5.677 9.431 15.712 1.00 0.00 C ATOM 50 C SER A 6 -4.292 9.719 15.140 1.00 0.00 C ATOM 51 O SER A 6 -4.015 10.827 14.685 1.00 0.00 O ATOM 52 CB SER A 6 -6.498 10.721 15.765 1.00 0.00 C ATOM 53 OG SER A 6 -5.757 11.773 16.359 1.00 0.00 O ATOM 0 H SER A 6 -5.397 9.510 17.789 1.00 0.00 H new ATOM 0 HA SER A 6 -6.179 8.716 15.060 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.797 11.007 14.757 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.413 10.551 16.333 1.00 0.00 H new ATOM 0 HG SER A 6 -4.940 11.930 15.842 1.00 0.00 H new ATOM 59 N GLY A 7 -3.427 8.711 15.168 1.00 0.00 N ATOM 60 CA GLY A 7 -2.080 8.875 14.649 1.00 0.00 C ATOM 61 C GLY A 7 -1.837 8.054 13.399 1.00 0.00 C ATOM 62 O GLY A 7 -0.895 7.262 13.341 1.00 0.00 O ATOM 0 H GLY A 7 -3.633 7.784 15.540 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.905 9.928 14.428 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.361 8.586 15.415 1.00 0.00 H new ATOM 66 N ILE A 8 -2.688 8.241 12.396 1.00 0.00 N ATOM 67 CA ILE A 8 -2.561 7.511 11.139 1.00 0.00 C ATOM 68 C ILE A 8 -1.966 8.395 10.048 1.00 0.00 C ATOM 69 O ILE A 8 -2.102 9.617 10.082 1.00 0.00 O ATOM 70 CB ILE A 8 -3.921 6.970 10.663 1.00 0.00 C ATOM 71 CG1 ILE A 8 -4.527 6.047 11.721 1.00 0.00 C ATOM 72 CG2 ILE A 8 -3.765 6.237 9.339 1.00 0.00 C ATOM 73 CD1 ILE A 8 -6.040 6.042 11.725 1.00 0.00 C ATOM 0 H ILE A 8 -3.473 8.891 12.428 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.892 6.671 11.327 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.597 7.811 10.513 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.169 5.031 11.553 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.170 6.352 12.705 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.735 5.860 9.015 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.373 6.922 8.588 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.075 5.403 9.464 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.400 5.366 12.500 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.407 7.049 11.923 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.405 5.708 10.754 1.00 0.00 H new ATOM 85 N VAL A 9 -1.309 7.766 9.078 1.00 0.00 N ATOM 86 CA VAL A 9 -0.695 8.496 7.975 1.00 0.00 C ATOM 87 C VAL A 9 -1.003 7.828 6.639 1.00 0.00 C ATOM 88 O VAL A 9 -1.054 6.601 6.542 1.00 0.00 O ATOM 89 CB VAL A 9 0.831 8.594 8.147 1.00 0.00 C ATOM 90 CG1 VAL A 9 1.447 9.393 7.008 1.00 0.00 C ATOM 91 CG2 VAL A 9 1.177 9.215 9.492 1.00 0.00 C ATOM 0 H VAL A 9 -1.189 6.754 9.034 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.118 9.500 7.984 1.00 0.00 H new ATOM 0 HB VAL A 9 1.247 7.587 8.119 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.527 9.452 7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.229 8.902 6.060 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.027 10.399 7.000 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.260 9.276 9.596 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.749 10.216 9.551 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.770 8.598 10.293 1.00 0.00 H new ATOM 101 N LEU A 10 -1.206 8.643 5.609 1.00 0.00 N ATOM 102 CA LEU A 10 -1.509 8.133 4.277 1.00 0.00 C ATOM 103 C LEU A 10 -0.495 7.074 3.857 1.00 0.00 C ATOM 104 O LEU A 10 -0.782 6.224 3.013 1.00 0.00 O ATOM 105 CB LEU A 10 -1.520 9.276 3.261 1.00 0.00 C ATOM 106 CG LEU A 10 -2.874 9.943 3.015 1.00 0.00 C ATOM 107 CD1 LEU A 10 -3.603 9.262 1.867 1.00 0.00 C ATOM 108 CD2 LEU A 10 -3.721 9.913 4.280 1.00 0.00 C ATOM 0 H LEU A 10 -1.166 9.660 5.672 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.497 7.673 4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.817 10.039 3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.148 8.894 2.310 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.701 10.984 2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.564 9.750 1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.003 9.335 0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.765 8.212 2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.681 10.392 4.087 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.886 8.879 4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.203 10.447 5.077 1.00 0.00 H new ATOM 120 N LEU A 11 0.693 7.131 4.450 1.00 0.00 N ATOM 121 CA LEU A 11 1.751 6.176 4.139 1.00 0.00 C ATOM 122 C LEU A 11 1.626 4.925 5.004 1.00 0.00 C ATOM 123 O LEU A 11 1.955 3.821 4.568 1.00 0.00 O ATOM 124 CB LEU A 11 3.122 6.818 4.346 1.00 0.00 C ATOM 125 CG LEU A 11 4.291 6.156 3.615 1.00 0.00 C ATOM 126 CD1 LEU A 11 4.236 6.468 2.127 1.00 0.00 C ATOM 127 CD2 LEU A 11 5.617 6.610 4.208 1.00 0.00 C ATOM 0 H LEU A 11 0.948 7.829 5.149 1.00 0.00 H new ATOM 0 HA LEU A 11 1.648 5.885 3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.065 7.859 4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.342 6.821 5.414 1.00 0.00 H new ATOM 0 HG LEU A 11 4.209 5.077 3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.076 5.989 1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.301 6.093 1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.292 7.546 1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.437 6.129 3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.707 7.692 4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.658 6.335 5.262 1.00 0.00 H new ATOM 139 N ARG A 12 1.147 5.106 6.231 1.00 0.00 N ATOM 140 CA ARG A 12 0.979 3.992 7.157 1.00 0.00 C ATOM 141 C ARG A 12 0.363 2.787 6.451 1.00 0.00 C ATOM 142 O ARG A 12 0.541 1.647 6.879 1.00 0.00 O ATOM 143 CB ARG A 12 0.099 4.410 8.336 1.00 0.00 C ATOM 144 CG ARG A 12 0.332 3.587 9.592 1.00 0.00 C ATOM 145 CD ARG A 12 -0.754 3.833 10.628 1.00 0.00 C ATOM 146 NE ARG A 12 -0.878 2.719 11.565 1.00 0.00 N ATOM 147 CZ ARG A 12 -0.124 2.584 12.651 1.00 0.00 C ATOM 148 NH1 ARG A 12 0.803 3.489 12.935 1.00 0.00 N ATOM 149 NH2 ARG A 12 -0.297 1.543 13.455 1.00 0.00 N ATOM 0 H ARG A 12 0.869 6.013 6.606 1.00 0.00 H new ATOM 0 HA ARG A 12 1.964 3.710 7.529 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.283 5.461 8.561 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.948 4.325 8.045 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.358 2.528 9.335 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.305 3.836 10.016 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.530 4.747 11.178 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.707 3.991 10.124 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.582 2.006 11.375 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.938 4.291 12.319 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.380 3.383 13.769 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.009 0.845 13.240 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.282 1.440 14.288 1.00 0.00 H new ATOM 163 N GLY A 13 -0.361 3.049 5.368 1.00 0.00 N ATOM 164 CA GLY A 13 -0.992 1.975 4.621 1.00 0.00 C ATOM 165 C GLY A 13 -0.052 0.814 4.369 1.00 0.00 C ATOM 166 O GLY A 13 -0.493 -0.308 4.115 1.00 0.00 O ATOM 0 H GLY A 13 -0.522 3.984 4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.865 1.620 5.169 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.350 2.362 3.667 1.00 0.00 H new ATOM 170 N LEU A 14 1.248 1.081 4.437 1.00 0.00 N ATOM 171 CA LEU A 14 2.253 0.048 4.213 1.00 0.00 C ATOM 172 C LEU A 14 2.612 -0.655 5.518 1.00 0.00 C ATOM 173 O LEU A 14 2.360 -1.848 5.681 1.00 0.00 O ATOM 174 CB LEU A 14 3.509 0.659 3.588 1.00 0.00 C ATOM 175 CG LEU A 14 3.295 1.468 2.308 1.00 0.00 C ATOM 176 CD1 LEU A 14 4.457 2.422 2.080 1.00 0.00 C ATOM 177 CD2 LEU A 14 3.122 0.541 1.113 1.00 0.00 C ATOM 0 H LEU A 14 1.630 2.003 4.645 1.00 0.00 H new ATOM 0 HA LEU A 14 1.834 -0.689 3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.981 1.305 4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.212 -0.146 3.372 1.00 0.00 H new ATOM 0 HG LEU A 14 2.384 2.056 2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.288 2.989 1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.535 3.108 2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.382 1.853 1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.971 1.134 0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.014 -0.074 0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.257 -0.102 1.274 1.00 0.00 H new ATOM 189 N GLU A 15 3.201 0.094 6.445 1.00 0.00 N ATOM 190 CA GLU A 15 3.593 -0.458 7.737 1.00 0.00 C ATOM 191 C GLU A 15 2.457 -1.275 8.348 1.00 0.00 C ATOM 192 O GLU A 15 2.693 -2.251 9.060 1.00 0.00 O ATOM 193 CB GLU A 15 4.000 0.664 8.694 1.00 0.00 C ATOM 194 CG GLU A 15 5.049 0.246 9.711 1.00 0.00 C ATOM 195 CD GLU A 15 4.931 1.008 11.018 1.00 0.00 C ATOM 196 OE1 GLU A 15 3.839 0.981 11.622 1.00 0.00 O ATOM 197 OE2 GLU A 15 5.930 1.629 11.435 1.00 0.00 O ATOM 0 H GLU A 15 3.417 1.084 6.326 1.00 0.00 H new ATOM 0 HA GLU A 15 4.446 -1.117 7.577 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.383 1.504 8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.115 1.018 9.222 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.954 -0.822 9.907 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.042 0.406 9.290 1.00 0.00 H new ATOM 204 N CYS A 16 1.225 -0.867 8.063 1.00 0.00 N ATOM 205 CA CYS A 16 0.052 -1.559 8.584 1.00 0.00 C ATOM 206 C CYS A 16 0.117 -3.050 8.273 1.00 0.00 C ATOM 207 O CYS A 16 0.069 -3.886 9.176 1.00 0.00 O ATOM 208 CB CYS A 16 -1.225 -0.958 7.994 1.00 0.00 C ATOM 209 SG CYS A 16 -2.747 -1.563 8.759 1.00 0.00 S ATOM 0 H CYS A 16 1.013 -0.061 7.475 1.00 0.00 H new ATOM 0 HA CYS A 16 0.038 -1.433 9.667 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.185 0.126 8.098 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.256 -1.175 6.926 1.00 0.00 H new ATOM 0 HG CYS A 16 -2.526 -2.720 9.308 1.00 0.00 H new ATOM 215 N ILE A 17 0.225 -3.377 6.989 1.00 0.00 N ATOM 216 CA ILE A 17 0.296 -4.768 6.559 1.00 0.00 C ATOM 217 C ILE A 17 1.613 -5.408 6.984 1.00 0.00 C ATOM 218 O ILE A 17 2.627 -4.727 7.132 1.00 0.00 O ATOM 219 CB ILE A 17 0.148 -4.893 5.031 1.00 0.00 C ATOM 220 CG1 ILE A 17 1.032 -3.863 4.325 1.00 0.00 C ATOM 221 CG2 ILE A 17 -1.308 -4.716 4.625 1.00 0.00 C ATOM 222 CD1 ILE A 17 1.173 -4.107 2.839 1.00 0.00 C ATOM 0 H ILE A 17 0.265 -2.698 6.229 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.531 -5.290 7.040 1.00 0.00 H new ATOM 0 HB ILE A 17 0.472 -5.889 4.729 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.615 -2.868 4.484 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.022 -3.871 4.782 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.397 -4.807 3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.915 -5.483 5.105 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.655 -3.731 4.936 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.813 -3.339 2.403 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.618 -5.088 2.672 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.190 -4.070 2.369 1.00 0.00 H new ATOM 234 N ASN A 18 1.590 -6.723 7.177 1.00 0.00 N ATOM 235 CA ASN A 18 2.784 -7.457 7.584 1.00 0.00 C ATOM 236 C ASN A 18 3.655 -7.791 6.376 1.00 0.00 C ATOM 237 O ASN A 18 3.163 -7.898 5.252 1.00 0.00 O ATOM 238 CB ASN A 18 2.393 -8.742 8.316 1.00 0.00 C ATOM 239 CG ASN A 18 1.527 -8.473 9.532 1.00 0.00 C ATOM 240 OD1 ASN A 18 0.313 -8.300 9.418 1.00 0.00 O ATOM 241 ND2 ASN A 18 2.149 -8.438 10.704 1.00 0.00 N ATOM 0 H ASN A 18 0.759 -7.302 7.058 1.00 0.00 H new ATOM 0 HA ASN A 18 3.358 -6.823 8.259 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.858 -9.399 7.630 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.295 -9.270 8.625 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.619 -8.262 11.558 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.157 -8.587 10.751 1.00 0.00 H new ATOM 248 N LYS A 19 4.951 -7.956 6.616 1.00 0.00 N ATOM 249 CA LYS A 19 5.891 -8.280 5.551 1.00 0.00 C ATOM 250 C LYS A 19 5.297 -9.309 4.595 1.00 0.00 C ATOM 251 O LYS A 19 5.665 -9.366 3.421 1.00 0.00 O ATOM 252 CB LYS A 19 7.200 -8.813 6.141 1.00 0.00 C ATOM 253 CG LYS A 19 7.958 -7.785 6.964 1.00 0.00 C ATOM 254 CD LYS A 19 8.725 -6.818 6.077 1.00 0.00 C ATOM 255 CE LYS A 19 9.899 -6.194 6.818 1.00 0.00 C ATOM 256 NZ LYS A 19 10.852 -5.530 5.887 1.00 0.00 N ATOM 0 H LYS A 19 5.374 -7.870 7.540 1.00 0.00 H new ATOM 0 HA LYS A 19 6.096 -7.367 4.993 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.981 -9.678 6.767 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.840 -9.160 5.330 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.258 -7.230 7.589 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.651 -8.293 7.635 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.088 -7.343 5.194 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.055 -6.033 5.728 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.528 -5.465 7.539 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.422 -6.965 7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.601 -5.060 6.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.277 -6.242 5.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.345 -4.824 5.316 1.00 0.00 H new ATOM 270 N HIS A 20 4.377 -10.122 5.105 1.00 0.00 N ATOM 271 CA HIS A 20 3.729 -11.148 4.295 1.00 0.00 C ATOM 272 C HIS A 20 3.086 -10.535 3.054 1.00 0.00 C ATOM 273 O HIS A 20 3.486 -10.828 1.927 1.00 0.00 O ATOM 274 CB HIS A 20 2.675 -11.887 5.119 1.00 0.00 C ATOM 275 CG HIS A 20 1.605 -12.525 4.287 1.00 0.00 C ATOM 276 ND1 HIS A 20 1.731 -13.780 3.731 1.00 0.00 N ATOM 277 CD2 HIS A 20 0.383 -12.074 3.919 1.00 0.00 C ATOM 278 CE1 HIS A 20 0.634 -14.074 3.056 1.00 0.00 C ATOM 279 NE2 HIS A 20 -0.200 -13.055 3.155 1.00 0.00 N ATOM 0 H HIS A 20 4.063 -10.090 6.075 1.00 0.00 H new ATOM 0 HA HIS A 20 4.491 -11.858 3.974 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.166 -12.655 5.717 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.214 -11.187 5.816 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.052 -11.120 4.178 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.451 -14.991 2.516 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.127 -13.005 2.732 1.00 0.00 H new ATOM 288 N TYR A 21 2.089 -9.685 3.269 1.00 0.00 N ATOM 289 CA TYR A 21 1.388 -9.034 2.168 1.00 0.00 C ATOM 290 C TYR A 21 2.283 -8.003 1.488 1.00 0.00 C ATOM 291 O TYR A 21 2.325 -7.913 0.260 1.00 0.00 O ATOM 292 CB TYR A 21 0.110 -8.362 2.675 1.00 0.00 C ATOM 293 CG TYR A 21 -1.053 -9.315 2.830 1.00 0.00 C ATOM 294 CD1 TYR A 21 -1.386 -10.207 1.817 1.00 0.00 C ATOM 295 CD2 TYR A 21 -1.822 -9.322 3.988 1.00 0.00 C ATOM 296 CE1 TYR A 21 -2.448 -11.079 1.953 1.00 0.00 C ATOM 297 CE2 TYR A 21 -2.885 -10.192 4.133 1.00 0.00 C ATOM 298 CZ TYR A 21 -3.195 -11.068 3.114 1.00 0.00 C ATOM 299 OH TYR A 21 -4.255 -11.934 3.254 1.00 0.00 O ATOM 0 H TYR A 21 1.747 -9.430 4.196 1.00 0.00 H new ATOM 0 HA TYR A 21 1.123 -9.798 1.437 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.314 -7.891 3.637 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.172 -7.567 1.984 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.804 -10.218 0.907 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.584 -8.636 4.787 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.693 -11.765 1.156 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.471 -10.186 5.040 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.524 -11.973 4.196 1.00 0.00 H new ATOM 309 N PHE A 22 2.998 -7.225 2.294 1.00 0.00 N ATOM 310 CA PHE A 22 3.892 -6.198 1.772 1.00 0.00 C ATOM 311 C PHE A 22 4.763 -6.756 0.650 1.00 0.00 C ATOM 312 O PHE A 22 5.019 -6.080 -0.347 1.00 0.00 O ATOM 313 CB PHE A 22 4.775 -5.643 2.892 1.00 0.00 C ATOM 314 CG PHE A 22 5.611 -4.468 2.469 1.00 0.00 C ATOM 315 CD1 PHE A 22 5.068 -3.462 1.687 1.00 0.00 C ATOM 316 CD2 PHE A 22 6.938 -4.372 2.853 1.00 0.00 C ATOM 317 CE1 PHE A 22 5.834 -2.379 1.297 1.00 0.00 C ATOM 318 CE2 PHE A 22 7.709 -3.292 2.467 1.00 0.00 C ATOM 319 CZ PHE A 22 7.156 -2.295 1.687 1.00 0.00 C ATOM 0 H PHE A 22 2.976 -7.286 3.312 1.00 0.00 H new ATOM 0 HA PHE A 22 3.282 -5.391 1.367 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.143 -5.347 3.729 1.00 0.00 H new ATOM 0 HB3 PHE A 22 5.431 -6.435 3.253 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.035 -3.524 1.378 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.375 -5.150 3.461 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.399 -1.600 0.688 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.742 -3.228 2.775 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.757 -1.451 1.383 1.00 0.00 H new ATOM 329 N SER A 23 5.219 -7.993 0.822 1.00 0.00 N ATOM 330 CA SER A 23 6.065 -8.641 -0.173 1.00 0.00 C ATOM 331 C SER A 23 5.389 -8.648 -1.541 1.00 0.00 C ATOM 332 O SER A 23 6.028 -8.400 -2.564 1.00 0.00 O ATOM 333 CB SER A 23 6.388 -10.073 0.256 1.00 0.00 C ATOM 334 OG SER A 23 7.515 -10.573 -0.442 1.00 0.00 O ATOM 0 H SER A 23 5.017 -8.566 1.641 1.00 0.00 H new ATOM 0 HA SER A 23 6.993 -8.074 -0.249 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.579 -10.100 1.329 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.527 -10.715 0.070 1.00 0.00 H new ATOM 0 HG SER A 23 7.702 -11.489 -0.149 1.00 0.00 H new ATOM 340 N LEU A 24 4.091 -8.933 -1.550 1.00 0.00 N ATOM 341 CA LEU A 24 3.325 -8.973 -2.792 1.00 0.00 C ATOM 342 C LEU A 24 3.285 -7.599 -3.450 1.00 0.00 C ATOM 343 O LEU A 24 3.488 -7.471 -4.658 1.00 0.00 O ATOM 344 CB LEU A 24 1.903 -9.465 -2.520 1.00 0.00 C ATOM 345 CG LEU A 24 1.746 -10.965 -2.273 1.00 0.00 C ATOM 346 CD1 LEU A 24 1.890 -11.280 -0.792 1.00 0.00 C ATOM 347 CD2 LEU A 24 0.404 -11.456 -2.797 1.00 0.00 C ATOM 0 H LEU A 24 3.547 -9.140 -0.712 1.00 0.00 H new ATOM 0 HA LEU A 24 3.818 -9.666 -3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.516 -8.932 -1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.277 -9.190 -3.368 1.00 0.00 H new ATOM 0 HG LEU A 24 2.536 -11.487 -2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.775 -12.353 -0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.875 -10.966 -0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.123 -10.747 -0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.311 -12.526 -2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.401 -10.928 -2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.340 -11.266 -3.868 1.00 0.00 H new ATOM 359 N PHE A 25 3.022 -6.572 -2.649 1.00 0.00 N ATOM 360 CA PHE A 25 2.956 -5.205 -3.153 1.00 0.00 C ATOM 361 C PHE A 25 4.209 -4.859 -3.952 1.00 0.00 C ATOM 362 O PHE A 25 4.128 -4.316 -5.054 1.00 0.00 O ATOM 363 CB PHE A 25 2.786 -4.219 -1.996 1.00 0.00 C ATOM 364 CG PHE A 25 2.349 -2.850 -2.434 1.00 0.00 C ATOM 365 CD1 PHE A 25 1.316 -2.696 -3.344 1.00 0.00 C ATOM 366 CD2 PHE A 25 2.972 -1.717 -1.936 1.00 0.00 C ATOM 367 CE1 PHE A 25 0.910 -1.439 -3.748 1.00 0.00 C ATOM 368 CE2 PHE A 25 2.571 -0.457 -2.336 1.00 0.00 C ATOM 369 CZ PHE A 25 1.540 -0.317 -3.245 1.00 0.00 C ATOM 0 H PHE A 25 2.851 -6.660 -1.647 1.00 0.00 H new ATOM 0 HA PHE A 25 2.093 -5.130 -3.814 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.054 -4.618 -1.294 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.731 -4.135 -1.459 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.822 -3.570 -3.743 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.780 -1.820 -1.227 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.101 -1.333 -4.456 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.063 0.418 -1.938 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.227 0.667 -3.562 1.00 0.00 H new ATOM 379 N LYS A 26 5.370 -5.176 -3.387 1.00 0.00 N ATOM 380 CA LYS A 26 6.642 -4.900 -4.043 1.00 0.00 C ATOM 381 C LYS A 26 6.728 -5.620 -5.385 1.00 0.00 C ATOM 382 O LYS A 26 7.397 -5.154 -6.309 1.00 0.00 O ATOM 383 CB LYS A 26 7.806 -5.328 -3.148 1.00 0.00 C ATOM 384 CG LYS A 26 8.227 -4.264 -2.149 1.00 0.00 C ATOM 385 CD LYS A 26 9.188 -4.821 -1.112 1.00 0.00 C ATOM 386 CE LYS A 26 8.446 -5.501 0.029 1.00 0.00 C ATOM 387 NZ LYS A 26 9.211 -5.437 1.304 1.00 0.00 N ATOM 0 H LYS A 26 5.455 -5.625 -2.475 1.00 0.00 H new ATOM 0 HA LYS A 26 6.705 -3.826 -4.220 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.525 -6.232 -2.607 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.660 -5.585 -3.775 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.700 -3.435 -2.676 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.345 -3.863 -1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.862 -5.535 -1.586 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.805 -4.014 -0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.474 -5.026 0.164 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.258 -6.543 -0.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.308 -6.394 1.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.155 -5.040 1.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.705 -4.832 1.982 1.00 0.00 H new ATOM 401 N SER A 27 6.048 -6.757 -5.487 1.00 0.00 N ATOM 402 CA SER A 27 6.050 -7.542 -6.716 1.00 0.00 C ATOM 403 C SER A 27 5.235 -6.850 -7.804 1.00 0.00 C ATOM 404 O SER A 27 5.561 -6.936 -8.989 1.00 0.00 O ATOM 405 CB SER A 27 5.488 -8.941 -6.453 1.00 0.00 C ATOM 406 OG SER A 27 5.562 -9.747 -7.617 1.00 0.00 O ATOM 0 H SER A 27 5.488 -7.156 -4.733 1.00 0.00 H new ATOM 0 HA SER A 27 7.080 -7.631 -7.060 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.044 -9.414 -5.643 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.451 -8.864 -6.125 1.00 0.00 H new ATOM 0 HG SER A 27 5.198 -10.636 -7.423 1.00 0.00 H new ATOM 412 N LEU A 28 4.173 -6.166 -7.394 1.00 0.00 N ATOM 413 CA LEU A 28 3.309 -5.459 -8.332 1.00 0.00 C ATOM 414 C LEU A 28 3.909 -4.108 -8.713 1.00 0.00 C ATOM 415 O LEU A 28 3.613 -3.563 -9.776 1.00 0.00 O ATOM 416 CB LEU A 28 1.919 -5.260 -7.727 1.00 0.00 C ATOM 417 CG LEU A 28 1.319 -6.471 -7.011 1.00 0.00 C ATOM 418 CD1 LEU A 28 0.199 -6.039 -6.078 1.00 0.00 C ATOM 419 CD2 LEU A 28 0.811 -7.490 -8.021 1.00 0.00 C ATOM 0 H LEU A 28 3.889 -6.086 -6.417 1.00 0.00 H new ATOM 0 HA LEU A 28 3.222 -6.065 -9.234 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.968 -4.432 -7.020 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.238 -4.959 -8.523 1.00 0.00 H new ATOM 0 HG LEU A 28 2.101 -6.940 -6.414 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.216 -6.914 -5.578 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.592 -5.347 -5.333 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.584 -5.545 -6.654 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.388 -8.345 -7.494 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.044 -7.032 -8.645 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.638 -7.824 -8.648 1.00 0.00 H new ATOM 431 N LEU A 29 4.754 -3.575 -7.838 1.00 0.00 N ATOM 432 CA LEU A 29 5.397 -2.289 -8.082 1.00 0.00 C ATOM 433 C LEU A 29 6.797 -2.481 -8.658 1.00 0.00 C ATOM 434 O LEU A 29 7.364 -1.566 -9.253 1.00 0.00 O ATOM 435 CB LEU A 29 5.474 -1.480 -6.785 1.00 0.00 C ATOM 436 CG LEU A 29 4.278 -0.576 -6.487 1.00 0.00 C ATOM 437 CD1 LEU A 29 4.027 0.378 -7.645 1.00 0.00 C ATOM 438 CD2 LEU A 29 3.037 -1.410 -6.203 1.00 0.00 C ATOM 0 H LEU A 29 5.010 -4.013 -6.953 1.00 0.00 H new ATOM 0 HA LEU A 29 4.796 -1.743 -8.809 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.595 -2.174 -5.954 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.372 -0.862 -6.818 1.00 0.00 H new ATOM 0 HG LEU A 29 4.506 0.015 -5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.172 1.013 -7.414 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.909 0.999 -7.802 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.820 -0.194 -8.549 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.195 -0.750 -5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.807 -2.027 -7.072 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.219 -2.051 -5.341 1.00 0.00 H new ATOM 450 N ALA A 30 7.346 -3.678 -8.479 1.00 0.00 N ATOM 451 CA ALA A 30 8.676 -3.992 -8.984 1.00 0.00 C ATOM 452 C ALA A 30 8.887 -3.403 -10.376 1.00 0.00 C ATOM 453 O ALA A 30 9.952 -2.864 -10.677 1.00 0.00 O ATOM 454 CB ALA A 30 8.890 -5.498 -9.008 1.00 0.00 C ATOM 0 H ALA A 30 6.889 -4.446 -7.988 1.00 0.00 H new ATOM 0 HA ALA A 30 9.408 -3.543 -8.313 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.888 -5.718 -9.388 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.790 -5.896 -7.998 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.145 -5.961 -9.656 1.00 0.00 H new ATOM 460 N ARG A 31 7.867 -3.512 -11.220 1.00 0.00 N ATOM 461 CA ARG A 31 7.942 -2.993 -12.580 1.00 0.00 C ATOM 462 C ARG A 31 8.074 -1.473 -12.575 1.00 0.00 C ATOM 463 O ARG A 31 8.954 -0.914 -13.230 1.00 0.00 O ATOM 464 CB ARG A 31 6.703 -3.405 -13.376 1.00 0.00 C ATOM 465 CG ARG A 31 5.456 -3.564 -12.521 1.00 0.00 C ATOM 466 CD ARG A 31 5.308 -4.989 -12.012 1.00 0.00 C ATOM 467 NE ARG A 31 4.540 -5.822 -12.933 1.00 0.00 N ATOM 468 CZ ARG A 31 4.048 -7.014 -12.611 1.00 0.00 C ATOM 469 NH1 ARG A 31 4.242 -7.507 -11.396 1.00 0.00 N ATOM 470 NH2 ARG A 31 3.360 -7.713 -13.504 1.00 0.00 N ATOM 0 H ARG A 31 6.979 -3.955 -10.986 1.00 0.00 H new ATOM 0 HA ARG A 31 8.827 -3.416 -13.055 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.512 -2.659 -14.147 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.906 -4.346 -13.887 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.503 -2.878 -11.676 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.576 -3.292 -13.104 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.296 -5.426 -11.866 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.817 -4.977 -11.039 1.00 0.00 H new ATOM 0 HE ARG A 31 4.372 -5.470 -13.875 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.769 -6.971 -10.707 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.864 -8.422 -11.150 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.208 -7.336 -14.439 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.983 -8.628 -13.255 1.00 0.00 H new ATOM 484 N ASP A 32 7.194 -0.811 -11.833 1.00 0.00 N ATOM 485 CA ASP A 32 7.211 0.645 -11.742 1.00 0.00 C ATOM 486 C ASP A 32 8.432 1.125 -10.964 1.00 0.00 C ATOM 487 O ASP A 32 9.290 1.826 -11.504 1.00 0.00 O ATOM 488 CB ASP A 32 5.933 1.151 -11.072 1.00 0.00 C ATOM 489 CG ASP A 32 4.696 0.875 -11.904 1.00 0.00 C ATOM 490 OD1 ASP A 32 4.676 1.269 -13.089 1.00 0.00 O ATOM 491 OD2 ASP A 32 3.747 0.263 -11.370 1.00 0.00 O ATOM 0 H ASP A 32 6.459 -1.259 -11.285 1.00 0.00 H new ATOM 0 HA ASP A 32 7.265 1.047 -12.754 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.825 0.676 -10.097 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.018 2.223 -10.897 1.00 0.00 H new ATOM 496 N LEU A 33 8.503 0.748 -9.693 1.00 0.00 N ATOM 497 CA LEU A 33 9.619 1.140 -8.838 1.00 0.00 C ATOM 498 C LEU A 33 10.941 0.621 -9.396 1.00 0.00 C ATOM 499 O LEU A 33 12.015 1.039 -8.964 1.00 0.00 O ATOM 500 CB LEU A 33 9.410 0.615 -7.417 1.00 0.00 C ATOM 501 CG LEU A 33 8.313 1.301 -6.603 1.00 0.00 C ATOM 502 CD1 LEU A 33 8.191 0.663 -5.228 1.00 0.00 C ATOM 503 CD2 LEU A 33 8.593 2.791 -6.479 1.00 0.00 C ATOM 0 H LEU A 33 7.801 0.171 -9.230 1.00 0.00 H new ATOM 0 HA LEU A 33 9.659 2.229 -8.813 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.181 -0.449 -7.474 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.350 0.710 -6.874 1.00 0.00 H new ATOM 0 HG LEU A 33 7.365 1.173 -7.126 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.405 1.164 -4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.942 -0.393 -5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.138 0.759 -4.697 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.802 3.263 -5.896 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.550 2.941 -5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.628 3.238 -7.472 1.00 0.00 H new ATOM 515 N ASN A 34 10.854 -0.291 -10.359 1.00 0.00 N ATOM 516 CA ASN A 34 12.043 -0.866 -10.976 1.00 0.00 C ATOM 517 C ASN A 34 12.883 -1.615 -9.946 1.00 0.00 C ATOM 518 O ASN A 34 14.113 -1.607 -10.008 1.00 0.00 O ATOM 519 CB ASN A 34 12.882 0.231 -11.635 1.00 0.00 C ATOM 520 CG ASN A 34 12.030 1.251 -12.365 1.00 0.00 C ATOM 521 OD1 ASN A 34 11.030 0.905 -12.994 1.00 0.00 O ATOM 522 ND2 ASN A 34 12.424 2.516 -12.286 1.00 0.00 N ATOM 0 H ASN A 34 9.973 -0.647 -10.729 1.00 0.00 H new ATOM 0 HA ASN A 34 11.720 -1.574 -11.739 1.00 0.00 H new ATOM 0 HB2 ASN A 34 13.477 0.736 -10.874 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.582 -0.223 -12.337 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.891 3.247 -12.758 1.00 0.00 H new ATOM 0 HD22 ASN A 34 13.260 2.758 -11.753 1.00 0.00 H new ATOM 529 N LEU A 35 12.210 -2.263 -9.001 1.00 0.00 N ATOM 530 CA LEU A 35 12.894 -3.018 -7.957 1.00 0.00 C ATOM 531 C LEU A 35 13.593 -4.243 -8.540 1.00 0.00 C ATOM 532 O LEU A 35 13.405 -4.577 -9.709 1.00 0.00 O ATOM 533 CB LEU A 35 11.899 -3.450 -6.878 1.00 0.00 C ATOM 534 CG LEU A 35 11.007 -2.346 -6.308 1.00 0.00 C ATOM 535 CD1 LEU A 35 9.806 -2.947 -5.593 1.00 0.00 C ATOM 536 CD2 LEU A 35 11.801 -1.454 -5.363 1.00 0.00 C ATOM 0 H LEU A 35 11.192 -2.281 -8.936 1.00 0.00 H new ATOM 0 HA LEU A 35 13.648 -2.371 -7.509 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.259 -4.229 -7.293 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.457 -3.900 -6.056 1.00 0.00 H new ATOM 0 HG LEU A 35 10.644 -1.735 -7.134 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.182 -2.147 -5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.225 -3.543 -6.296 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.149 -3.582 -4.776 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.151 -0.674 -4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.193 -2.053 -4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 35 12.629 -0.996 -5.904 1.00 0.00 H new ATOM 548 N GLU A 36 14.396 -4.907 -7.716 1.00 0.00 N ATOM 549 CA GLU A 36 15.122 -6.096 -8.150 1.00 0.00 C ATOM 550 C GLU A 36 14.424 -7.364 -7.668 1.00 0.00 C ATOM 551 O GLU A 36 14.474 -7.702 -6.486 1.00 0.00 O ATOM 552 CB GLU A 36 16.560 -6.061 -7.629 1.00 0.00 C ATOM 553 CG GLU A 36 17.543 -5.424 -8.596 1.00 0.00 C ATOM 554 CD GLU A 36 18.183 -6.436 -9.526 1.00 0.00 C ATOM 555 OE1 GLU A 36 17.506 -6.882 -10.476 1.00 0.00 O ATOM 556 OE2 GLU A 36 19.364 -6.781 -9.305 1.00 0.00 O ATOM 0 H GLU A 36 14.561 -4.643 -6.745 1.00 0.00 H new ATOM 0 HA GLU A 36 15.139 -6.103 -9.240 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.583 -5.513 -6.687 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.884 -7.079 -7.413 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.027 -4.668 -9.187 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.322 -4.911 -8.032 1.00 0.00 H new ATOM 563 N ARG A 37 13.774 -8.062 -8.594 1.00 0.00 N ATOM 564 CA ARG A 37 13.065 -9.293 -8.264 1.00 0.00 C ATOM 565 C ARG A 37 13.799 -10.069 -7.175 1.00 0.00 C ATOM 566 O ARG A 37 13.178 -10.743 -6.353 1.00 0.00 O ATOM 567 CB ARG A 37 12.909 -10.166 -9.510 1.00 0.00 C ATOM 568 CG ARG A 37 12.030 -9.546 -10.584 1.00 0.00 C ATOM 569 CD ARG A 37 11.772 -10.519 -11.723 1.00 0.00 C ATOM 570 NE ARG A 37 10.784 -11.533 -11.364 1.00 0.00 N ATOM 571 CZ ARG A 37 10.590 -12.648 -12.059 1.00 0.00 C ATOM 572 NH1 ARG A 37 11.312 -12.891 -13.144 1.00 0.00 N ATOM 573 NH2 ARG A 37 9.672 -13.523 -11.668 1.00 0.00 N ATOM 0 H ARG A 37 13.724 -7.796 -9.578 1.00 0.00 H new ATOM 0 HA ARG A 37 12.077 -9.024 -7.891 1.00 0.00 H new ATOM 0 HB2 ARG A 37 13.895 -10.364 -9.930 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.487 -11.128 -9.218 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.081 -9.238 -10.146 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.508 -8.647 -10.973 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.425 -9.969 -12.598 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.706 -11.006 -12.002 1.00 0.00 H new ATOM 0 HE ARG A 37 10.212 -11.376 -10.534 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.019 -12.221 -13.447 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.161 -13.748 -13.676 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.115 -13.339 -10.833 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.523 -14.379 -12.202 1.00 0.00 H new ATOM 587 N ASP A 38 15.123 -9.968 -7.174 1.00 0.00 N ATOM 588 CA ASP A 38 15.943 -10.660 -6.186 1.00 0.00 C ATOM 589 C ASP A 38 16.024 -9.857 -4.891 1.00 0.00 C ATOM 590 O ASP A 38 15.812 -10.393 -3.803 1.00 0.00 O ATOM 591 CB ASP A 38 17.348 -10.904 -6.737 1.00 0.00 C ATOM 592 CG ASP A 38 17.934 -9.671 -7.397 1.00 0.00 C ATOM 593 OD1 ASP A 38 17.594 -9.408 -8.570 1.00 0.00 O ATOM 594 OD2 ASP A 38 18.730 -8.969 -6.740 1.00 0.00 O ATOM 0 H ASP A 38 15.652 -9.413 -7.847 1.00 0.00 H new ATOM 0 HA ASP A 38 15.475 -11.620 -5.970 1.00 0.00 H new ATOM 0 HB2 ASP A 38 18.002 -11.224 -5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 38 17.315 -11.719 -7.460 1.00 0.00 H new ATOM 599 N ASN A 39 16.333 -8.571 -5.016 1.00 0.00 N ATOM 600 CA ASN A 39 16.443 -7.696 -3.854 1.00 0.00 C ATOM 601 C ASN A 39 15.119 -6.991 -3.576 1.00 0.00 C ATOM 602 O ASN A 39 15.092 -5.801 -3.262 1.00 0.00 O ATOM 603 CB ASN A 39 17.549 -6.660 -4.074 1.00 0.00 C ATOM 604 CG ASN A 39 18.935 -7.264 -3.970 1.00 0.00 C ATOM 605 OD1 ASN A 39 19.786 -7.045 -4.833 1.00 0.00 O ATOM 606 ND2 ASN A 39 19.170 -8.030 -2.912 1.00 0.00 N ATOM 0 H ASN A 39 16.512 -8.112 -5.909 1.00 0.00 H new ATOM 0 HA ASN A 39 16.695 -8.310 -2.990 1.00 0.00 H new ATOM 0 HB2 ASN A 39 17.427 -6.205 -5.057 1.00 0.00 H new ATOM 0 HB3 ASN A 39 17.447 -5.862 -3.339 1.00 0.00 H new ATOM 0 HD21 ASN A 39 20.085 -8.464 -2.790 1.00 0.00 H new ATOM 0 HD22 ASN A 39 18.436 -8.185 -2.221 1.00 0.00 H new ATOM 613 N GLN A 40 14.024 -7.734 -3.693 1.00 0.00 N ATOM 614 CA GLN A 40 12.697 -7.181 -3.453 1.00 0.00 C ATOM 615 C GLN A 40 12.329 -7.266 -1.976 1.00 0.00 C ATOM 616 O GLN A 40 11.900 -6.281 -1.376 1.00 0.00 O ATOM 617 CB GLN A 40 11.654 -7.920 -4.293 1.00 0.00 C ATOM 618 CG GLN A 40 11.412 -7.290 -5.656 1.00 0.00 C ATOM 619 CD GLN A 40 10.290 -7.964 -6.420 1.00 0.00 C ATOM 620 OE1 GLN A 40 9.472 -8.680 -5.842 1.00 0.00 O ATOM 621 NE2 GLN A 40 10.246 -7.740 -7.729 1.00 0.00 N ATOM 0 H GLN A 40 14.029 -8.720 -3.953 1.00 0.00 H new ATOM 0 HA GLN A 40 12.712 -6.131 -3.745 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.976 -8.952 -4.431 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.713 -7.951 -3.744 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.175 -6.234 -5.527 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.329 -7.342 -6.244 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.944 -7.140 -8.167 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.514 -8.168 -8.295 1.00 0.00 H new ATOM 630 N GLU A 41 12.501 -8.450 -1.396 1.00 0.00 N ATOM 631 CA GLU A 41 12.186 -8.663 0.013 1.00 0.00 C ATOM 632 C GLU A 41 13.167 -7.913 0.909 1.00 0.00 C ATOM 633 O GLU A 41 12.774 -7.304 1.903 1.00 0.00 O ATOM 634 CB GLU A 41 12.213 -10.157 0.344 1.00 0.00 C ATOM 635 CG GLU A 41 13.570 -10.804 0.124 1.00 0.00 C ATOM 636 CD GLU A 41 13.540 -12.306 0.325 1.00 0.00 C ATOM 637 OE1 GLU A 41 12.931 -13.004 -0.514 1.00 0.00 O ATOM 638 OE2 GLU A 41 14.122 -12.784 1.321 1.00 0.00 O ATOM 0 H GLU A 41 12.856 -9.275 -1.879 1.00 0.00 H new ATOM 0 HA GLU A 41 11.184 -8.276 0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 41 11.918 -10.296 1.384 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.472 -10.670 -0.269 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.914 -10.583 -0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.294 -10.364 0.810 1.00 0.00 H new ATOM 645 N GLN A 42 14.446 -7.965 0.549 1.00 0.00 N ATOM 646 CA GLN A 42 15.484 -7.293 1.321 1.00 0.00 C ATOM 647 C GLN A 42 15.080 -5.858 1.643 1.00 0.00 C ATOM 648 O GLN A 42 15.556 -5.270 2.616 1.00 0.00 O ATOM 649 CB GLN A 42 16.808 -7.303 0.555 1.00 0.00 C ATOM 650 CG GLN A 42 16.838 -6.337 -0.618 1.00 0.00 C ATOM 651 CD GLN A 42 18.230 -5.813 -0.907 1.00 0.00 C ATOM 652 OE1 GLN A 42 19.229 -6.451 -0.571 1.00 0.00 O ATOM 653 NE2 GLN A 42 18.306 -4.645 -1.534 1.00 0.00 N ATOM 0 H GLN A 42 14.787 -8.465 -0.272 1.00 0.00 H new ATOM 0 HA GLN A 42 15.611 -7.835 2.258 1.00 0.00 H new ATOM 0 HB2 GLN A 42 17.617 -7.054 1.241 1.00 0.00 H new ATOM 0 HB3 GLN A 42 16.999 -8.312 0.189 1.00 0.00 H new ATOM 0 HG2 GLN A 42 16.451 -6.837 -1.506 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.174 -5.498 -0.410 1.00 0.00 H new ATOM 0 HE21 GLN A 42 17.453 -4.150 -1.794 1.00 0.00 H new ATOM 0 HE22 GLN A 42 19.217 -4.243 -1.755 1.00 0.00 H new ATOM 662 N TYR A 43 14.200 -5.297 0.821 1.00 0.00 N ATOM 663 CA TYR A 43 13.734 -3.930 1.016 1.00 0.00 C ATOM 664 C TYR A 43 12.853 -3.827 2.256 1.00 0.00 C ATOM 665 O TYR A 43 12.359 -4.832 2.768 1.00 0.00 O ATOM 666 CB TYR A 43 12.960 -3.452 -0.214 1.00 0.00 C ATOM 667 CG TYR A 43 13.849 -2.981 -1.344 1.00 0.00 C ATOM 668 CD1 TYR A 43 14.642 -1.849 -1.202 1.00 0.00 C ATOM 669 CD2 TYR A 43 13.893 -3.666 -2.552 1.00 0.00 C ATOM 670 CE1 TYR A 43 15.455 -1.414 -2.231 1.00 0.00 C ATOM 671 CE2 TYR A 43 14.704 -3.238 -3.585 1.00 0.00 C ATOM 672 CZ TYR A 43 15.483 -2.113 -3.420 1.00 0.00 C ATOM 673 OH TYR A 43 16.291 -1.683 -4.448 1.00 0.00 O ATOM 0 H TYR A 43 13.795 -5.769 0.013 1.00 0.00 H new ATOM 0 HA TYR A 43 14.607 -3.293 1.158 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.329 -4.264 -0.574 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.296 -2.638 0.078 1.00 0.00 H new ATOM 0 HD1 TYR A 43 14.623 -1.300 -0.272 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.283 -4.547 -2.685 1.00 0.00 H new ATOM 0 HE1 TYR A 43 16.065 -0.532 -2.105 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.728 -3.782 -4.518 1.00 0.00 H new ATOM 0 HH TYR A 43 16.195 -2.286 -5.214 1.00 0.00 H new ATOM 683 N THR A 44 12.659 -2.602 2.736 1.00 0.00 N ATOM 684 CA THR A 44 11.839 -2.364 3.917 1.00 0.00 C ATOM 685 C THR A 44 10.556 -1.623 3.556 1.00 0.00 C ATOM 686 O THR A 44 10.291 -1.355 2.383 1.00 0.00 O ATOM 687 CB THR A 44 12.605 -1.554 4.980 1.00 0.00 C ATOM 688 OG1 THR A 44 12.968 -0.274 4.451 1.00 0.00 O ATOM 689 CG2 THR A 44 13.854 -2.297 5.430 1.00 0.00 C ATOM 0 H THR A 44 13.059 -1.759 2.324 1.00 0.00 H new ATOM 0 HA THR A 44 11.587 -3.341 4.328 1.00 0.00 H new ATOM 0 HB THR A 44 11.953 -1.418 5.843 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.453 0.236 5.133 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.378 -1.706 6.181 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.571 -3.259 5.858 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.509 -2.460 4.574 1.00 0.00 H new ATOM 697 N THR A 45 9.763 -1.294 4.570 1.00 0.00 N ATOM 698 CA THR A 45 8.508 -0.585 4.359 1.00 0.00 C ATOM 699 C THR A 45 8.752 0.897 4.095 1.00 0.00 C ATOM 700 O THR A 45 7.894 1.589 3.544 1.00 0.00 O ATOM 701 CB THR A 45 7.569 -0.730 5.572 1.00 0.00 C ATOM 702 OG1 THR A 45 8.279 -0.434 6.779 1.00 0.00 O ATOM 703 CG2 THR A 45 6.995 -2.137 5.647 1.00 0.00 C ATOM 0 H THR A 45 9.968 -1.507 5.546 1.00 0.00 H new ATOM 0 HA THR A 45 8.034 -1.035 3.486 1.00 0.00 H new ATOM 0 HB THR A 45 6.746 -0.025 5.453 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.675 -0.527 7.545 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.335 -2.215 6.511 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.430 -2.348 4.739 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.808 -2.857 5.745 1.00 0.00 H new ATOM 711 N ILE A 46 9.925 1.378 4.490 1.00 0.00 N ATOM 712 CA ILE A 46 10.282 2.778 4.293 1.00 0.00 C ATOM 713 C ILE A 46 10.820 3.016 2.887 1.00 0.00 C ATOM 714 O ILE A 46 10.164 3.650 2.061 1.00 0.00 O ATOM 715 CB ILE A 46 11.334 3.240 5.319 1.00 0.00 C ATOM 716 CG1 ILE A 46 10.702 3.372 6.706 1.00 0.00 C ATOM 717 CG2 ILE A 46 11.952 4.560 4.885 1.00 0.00 C ATOM 718 CD1 ILE A 46 11.530 4.192 7.672 1.00 0.00 C ATOM 0 H ILE A 46 10.645 0.819 4.948 1.00 0.00 H new ATOM 0 HA ILE A 46 9.370 3.359 4.433 1.00 0.00 H new ATOM 0 HB ILE A 46 12.124 2.491 5.370 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.717 3.829 6.606 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.551 2.377 7.124 1.00 0.00 H new ATOM 0 HG21 ILE A 46 12.693 4.874 5.620 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.433 4.435 3.915 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.173 5.319 4.809 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.021 4.243 8.635 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.506 3.725 7.802 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.660 5.199 7.276 1.00 0.00 H new ATOM 730 N GLN A 47 12.016 2.501 2.623 1.00 0.00 N ATOM 731 CA GLN A 47 12.642 2.657 1.315 1.00 0.00 C ATOM 732 C GLN A 47 11.595 2.660 0.206 1.00 0.00 C ATOM 733 O GLN A 47 11.529 3.591 -0.596 1.00 0.00 O ATOM 734 CB GLN A 47 13.654 1.536 1.073 1.00 0.00 C ATOM 735 CG GLN A 47 14.962 1.725 1.826 1.00 0.00 C ATOM 736 CD GLN A 47 16.145 1.115 1.102 1.00 0.00 C ATOM 737 OE1 GLN A 47 16.805 1.778 0.299 1.00 0.00 O ATOM 738 NE2 GLN A 47 16.423 -0.152 1.380 1.00 0.00 N ATOM 0 H GLN A 47 12.571 1.973 3.296 1.00 0.00 H new ATOM 0 HA GLN A 47 13.161 3.615 1.302 1.00 0.00 H new ATOM 0 HB2 GLN A 47 13.209 0.586 1.368 1.00 0.00 H new ATOM 0 HB3 GLN A 47 13.865 1.472 0.005 1.00 0.00 H new ATOM 0 HG2 GLN A 47 15.141 2.790 1.974 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.875 1.276 2.815 1.00 0.00 H new ATOM 0 HE21 GLN A 47 15.851 -0.664 2.051 1.00 0.00 H new ATOM 0 HE22 GLN A 47 17.209 -0.614 0.923 1.00 0.00 H new ATOM 747 N ILE A 48 10.778 1.612 0.169 1.00 0.00 N ATOM 748 CA ILE A 48 9.734 1.494 -0.840 1.00 0.00 C ATOM 749 C ILE A 48 8.799 2.699 -0.808 1.00 0.00 C ATOM 750 O ILE A 48 8.443 3.249 -1.848 1.00 0.00 O ATOM 751 CB ILE A 48 8.906 0.210 -0.646 1.00 0.00 C ATOM 752 CG1 ILE A 48 9.815 -1.020 -0.681 1.00 0.00 C ATOM 753 CG2 ILE A 48 7.828 0.108 -1.716 1.00 0.00 C ATOM 754 CD1 ILE A 48 10.608 -1.150 -1.962 1.00 0.00 C ATOM 0 H ILE A 48 10.820 0.833 0.826 1.00 0.00 H new ATOM 0 HA ILE A 48 10.234 1.451 -1.808 1.00 0.00 H new ATOM 0 HB ILE A 48 8.421 0.253 0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 48 10.506 -0.975 0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.207 -1.915 -0.547 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.251 -0.805 -1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.166 0.971 -1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.294 0.084 -2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.230 -2.044 -1.916 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.924 -1.227 -2.807 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.243 -0.273 -2.088 1.00 0.00 H new ATOM 766 N ALA A 49 8.407 3.103 0.396 1.00 0.00 N ATOM 767 CA ALA A 49 7.516 4.244 0.566 1.00 0.00 C ATOM 768 C ALA A 49 8.035 5.462 -0.193 1.00 0.00 C ATOM 769 O ALA A 49 7.356 5.994 -1.070 1.00 0.00 O ATOM 770 CB ALA A 49 7.353 4.571 2.043 1.00 0.00 C ATOM 0 H ALA A 49 8.692 2.657 1.268 1.00 0.00 H new ATOM 0 HA ALA A 49 6.542 3.978 0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.685 5.425 2.155 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.931 3.710 2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.326 4.812 2.472 1.00 0.00 H new ATOM 776 N ASN A 50 9.241 5.899 0.152 1.00 0.00 N ATOM 777 CA ASN A 50 9.849 7.055 -0.496 1.00 0.00 C ATOM 778 C ASN A 50 9.719 6.960 -2.013 1.00 0.00 C ATOM 779 O ASN A 50 9.012 7.751 -2.635 1.00 0.00 O ATOM 780 CB ASN A 50 11.325 7.167 -0.106 1.00 0.00 C ATOM 781 CG ASN A 50 11.520 7.887 1.215 1.00 0.00 C ATOM 782 OD1 ASN A 50 10.977 8.970 1.430 1.00 0.00 O ATOM 783 ND2 ASN A 50 12.301 7.286 2.105 1.00 0.00 N ATOM 0 H ASN A 50 9.817 5.470 0.877 1.00 0.00 H new ATOM 0 HA ASN A 50 9.322 7.947 -0.159 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.758 6.169 -0.040 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.866 7.698 -0.889 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.472 7.722 3.011 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.730 6.388 1.883 1.00 0.00 H new ATOM 790 N MET A 51 10.406 5.986 -2.601 1.00 0.00 N ATOM 791 CA MET A 51 10.365 5.785 -4.044 1.00 0.00 C ATOM 792 C MET A 51 8.973 6.075 -4.594 1.00 0.00 C ATOM 793 O MET A 51 8.825 6.761 -5.605 1.00 0.00 O ATOM 794 CB MET A 51 10.777 4.354 -4.394 1.00 0.00 C ATOM 795 CG MET A 51 12.277 4.118 -4.322 1.00 0.00 C ATOM 796 SD MET A 51 12.815 2.750 -5.365 1.00 0.00 S ATOM 797 CE MET A 51 13.353 1.572 -4.128 1.00 0.00 C ATOM 0 H MET A 51 10.998 5.324 -2.100 1.00 0.00 H new ATOM 0 HA MET A 51 11.069 6.480 -4.502 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.276 3.664 -3.715 1.00 0.00 H new ATOM 0 HB3 MET A 51 10.429 4.120 -5.400 1.00 0.00 H new ATOM 0 HG2 MET A 51 12.799 5.026 -4.623 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.560 3.915 -3.289 1.00 0.00 H new ATOM 0 HE1 MET A 51 13.715 0.669 -4.619 1.00 0.00 H new ATOM 0 HE2 MET A 51 14.156 2.009 -3.534 1.00 0.00 H new ATOM 0 HE3 MET A 51 12.516 1.320 -3.477 1.00 0.00 H new ATOM 807 N MET A 52 7.954 5.549 -3.922 1.00 0.00 N ATOM 808 CA MET A 52 6.573 5.752 -4.344 1.00 0.00 C ATOM 809 C MET A 52 6.164 7.212 -4.178 1.00 0.00 C ATOM 810 O MET A 52 5.779 7.871 -5.143 1.00 0.00 O ATOM 811 CB MET A 52 5.633 4.853 -3.539 1.00 0.00 C ATOM 812 CG MET A 52 5.832 3.370 -3.811 1.00 0.00 C ATOM 813 SD MET A 52 4.432 2.371 -3.267 1.00 0.00 S ATOM 814 CE MET A 52 3.316 2.568 -4.653 1.00 0.00 C ATOM 0 H MET A 52 8.059 4.979 -3.083 1.00 0.00 H new ATOM 0 HA MET A 52 6.500 5.489 -5.399 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.783 5.043 -2.476 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.602 5.121 -3.768 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.989 3.218 -4.879 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.735 3.029 -3.305 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.387 2.036 -4.450 1.00 0.00 H new ATOM 0 HE2 MET A 52 3.103 3.627 -4.801 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.778 2.161 -5.553 1.00 0.00 H new ATOM 824 N GLU A 53 6.249 7.710 -2.948 1.00 0.00 N ATOM 825 CA GLU A 53 5.887 9.093 -2.657 1.00 0.00 C ATOM 826 C GLU A 53 6.336 10.022 -3.781 1.00 0.00 C ATOM 827 O GLU A 53 5.724 11.061 -4.023 1.00 0.00 O ATOM 828 CB GLU A 53 6.509 9.539 -1.333 1.00 0.00 C ATOM 829 CG GLU A 53 5.643 9.237 -0.121 1.00 0.00 C ATOM 830 CD GLU A 53 4.659 10.350 0.185 1.00 0.00 C ATOM 831 OE1 GLU A 53 4.505 11.255 -0.661 1.00 0.00 O ATOM 832 OE2 GLU A 53 4.042 10.313 1.269 1.00 0.00 O ATOM 0 H GLU A 53 6.565 7.177 -2.138 1.00 0.00 H new ATOM 0 HA GLU A 53 4.801 9.147 -2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.474 9.047 -1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.700 10.611 -1.374 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.096 8.310 -0.292 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.283 9.074 0.746 1.00 0.00 H new ATOM 839 N GLU A 54 7.410 9.637 -4.464 1.00 0.00 N ATOM 840 CA GLU A 54 7.943 10.436 -5.561 1.00 0.00 C ATOM 841 C GLU A 54 7.351 9.991 -6.896 1.00 0.00 C ATOM 842 O GLU A 54 6.904 10.813 -7.697 1.00 0.00 O ATOM 843 CB GLU A 54 9.468 10.329 -5.607 1.00 0.00 C ATOM 844 CG GLU A 54 10.155 10.890 -4.373 1.00 0.00 C ATOM 845 CD GLU A 54 10.129 12.405 -4.328 1.00 0.00 C ATOM 846 OE1 GLU A 54 10.425 13.035 -5.364 1.00 0.00 O ATOM 847 OE2 GLU A 54 9.810 12.961 -3.255 1.00 0.00 O ATOM 0 H GLU A 54 7.927 8.778 -4.277 1.00 0.00 H new ATOM 0 HA GLU A 54 7.664 11.475 -5.387 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.747 9.282 -5.723 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.834 10.856 -6.488 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.669 10.496 -3.481 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.190 10.547 -4.351 1.00 0.00 H new ATOM 854 N LYS A 55 7.353 8.683 -7.129 1.00 0.00 N ATOM 855 CA LYS A 55 6.816 8.125 -8.365 1.00 0.00 C ATOM 856 C LYS A 55 5.386 8.600 -8.602 1.00 0.00 C ATOM 857 O LYS A 55 5.024 8.984 -9.714 1.00 0.00 O ATOM 858 CB LYS A 55 6.856 6.596 -8.319 1.00 0.00 C ATOM 859 CG LYS A 55 8.236 6.016 -8.573 1.00 0.00 C ATOM 860 CD LYS A 55 8.567 5.991 -10.056 1.00 0.00 C ATOM 861 CE LYS A 55 7.879 4.831 -10.761 1.00 0.00 C ATOM 862 NZ LYS A 55 8.113 4.858 -12.231 1.00 0.00 N ATOM 0 H LYS A 55 7.721 7.989 -6.478 1.00 0.00 H new ATOM 0 HA LYS A 55 7.437 8.474 -9.190 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.504 6.261 -7.343 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.163 6.200 -9.061 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.983 6.607 -8.043 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.286 5.004 -8.171 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.259 6.931 -10.514 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.646 5.910 -10.188 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.245 3.889 -10.352 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.808 4.870 -10.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.628 4.052 -12.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.741 5.746 -12.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.134 4.795 -12.421 1.00 0.00 H new ATOM 876 N PHE A 56 4.577 8.574 -7.547 1.00 0.00 N ATOM 877 CA PHE A 56 3.187 9.002 -7.639 1.00 0.00 C ATOM 878 C PHE A 56 2.875 10.069 -6.594 1.00 0.00 C ATOM 879 O PHE A 56 2.362 9.782 -5.512 1.00 0.00 O ATOM 880 CB PHE A 56 2.249 7.806 -7.458 1.00 0.00 C ATOM 881 CG PHE A 56 2.840 6.505 -7.923 1.00 0.00 C ATOM 882 CD1 PHE A 56 2.707 6.101 -9.242 1.00 0.00 C ATOM 883 CD2 PHE A 56 3.529 5.689 -7.042 1.00 0.00 C ATOM 884 CE1 PHE A 56 3.249 4.904 -9.671 1.00 0.00 C ATOM 885 CE2 PHE A 56 4.074 4.492 -7.466 1.00 0.00 C ATOM 886 CZ PHE A 56 3.935 4.099 -8.782 1.00 0.00 C ATOM 0 H PHE A 56 4.861 8.261 -6.619 1.00 0.00 H new ATOM 0 HA PHE A 56 3.031 9.431 -8.629 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.983 7.719 -6.405 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.325 7.993 -8.006 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.174 6.728 -9.942 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.642 5.991 -6.011 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.136 4.598 -10.701 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.608 3.864 -6.768 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.361 3.165 -9.116 1.00 0.00 H new ATOM 896 N PRO A 57 3.194 11.330 -6.923 1.00 0.00 N ATOM 897 CA PRO A 57 2.958 12.465 -6.026 1.00 0.00 C ATOM 898 C PRO A 57 1.473 12.777 -5.865 1.00 0.00 C ATOM 899 O PRO A 57 1.090 13.599 -5.034 1.00 0.00 O ATOM 900 CB PRO A 57 3.675 13.623 -6.723 1.00 0.00 C ATOM 901 CG PRO A 57 3.696 13.243 -8.164 1.00 0.00 C ATOM 902 CD PRO A 57 3.807 11.744 -8.195 1.00 0.00 C ATOM 0 HA PRO A 57 3.319 12.269 -5.016 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.148 14.565 -6.570 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.684 13.755 -6.334 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.790 13.578 -8.669 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.538 13.707 -8.678 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.282 11.320 -9.051 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.845 11.419 -8.265 1.00 0.00 H new ATOM 910 N ALA A 58 0.644 12.116 -6.665 1.00 0.00 N ATOM 911 CA ALA A 58 -0.797 12.322 -6.608 1.00 0.00 C ATOM 912 C ALA A 58 -1.414 11.573 -5.431 1.00 0.00 C ATOM 913 O ALA A 58 -2.048 12.174 -4.565 1.00 0.00 O ATOM 914 CB ALA A 58 -1.446 11.883 -7.913 1.00 0.00 C ATOM 0 H ALA A 58 0.946 11.433 -7.360 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.980 13.387 -6.464 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.523 12.043 -7.856 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.036 12.466 -8.738 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.245 10.825 -8.082 1.00 0.00 H new ATOM 920 N ASP A 59 -1.223 10.259 -5.408 1.00 0.00 N ATOM 921 CA ASP A 59 -1.759 9.427 -4.336 1.00 0.00 C ATOM 922 C ASP A 59 -0.677 9.091 -3.316 1.00 0.00 C ATOM 923 O ASP A 59 -0.975 8.715 -2.182 1.00 0.00 O ATOM 924 CB ASP A 59 -2.355 8.141 -4.910 1.00 0.00 C ATOM 925 CG ASP A 59 -3.803 8.310 -5.328 1.00 0.00 C ATOM 926 OD1 ASP A 59 -4.471 9.221 -4.797 1.00 0.00 O ATOM 927 OD2 ASP A 59 -4.267 7.530 -6.186 1.00 0.00 O ATOM 0 H ASP A 59 -0.701 9.746 -6.119 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.545 9.989 -3.832 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.766 7.824 -5.771 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.285 7.348 -4.166 1.00 0.00 H new ATOM 932 N SER A 60 0.579 9.228 -3.727 1.00 0.00 N ATOM 933 CA SER A 60 1.707 8.933 -2.850 1.00 0.00 C ATOM 934 C SER A 60 1.714 7.460 -2.449 1.00 0.00 C ATOM 935 O SER A 60 2.156 7.104 -1.357 1.00 0.00 O ATOM 936 CB SER A 60 1.651 9.813 -1.599 1.00 0.00 C ATOM 937 OG SER A 60 1.308 11.147 -1.930 1.00 0.00 O ATOM 0 H SER A 60 0.842 9.541 -4.661 1.00 0.00 H new ATOM 0 HA SER A 60 2.626 9.147 -3.396 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.920 9.409 -0.899 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.618 9.797 -1.095 1.00 0.00 H new ATOM 0 HG SER A 60 1.277 11.689 -1.114 1.00 0.00 H new ATOM 943 N GLY A 61 1.218 6.609 -3.342 1.00 0.00 N ATOM 944 CA GLY A 61 1.175 5.185 -3.065 1.00 0.00 C ATOM 945 C GLY A 61 -0.073 4.779 -2.306 1.00 0.00 C ATOM 946 O GLY A 61 -0.116 3.713 -1.691 1.00 0.00 O ATOM 0 H GLY A 61 0.845 6.880 -4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.221 4.634 -4.004 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.055 4.904 -2.487 1.00 0.00 H new ATOM 950 N LEU A 62 -1.091 5.632 -2.347 1.00 0.00 N ATOM 951 CA LEU A 62 -2.347 5.357 -1.657 1.00 0.00 C ATOM 952 C LEU A 62 -3.216 4.399 -2.466 1.00 0.00 C ATOM 953 O LEU A 62 -3.389 3.239 -2.095 1.00 0.00 O ATOM 954 CB LEU A 62 -3.107 6.660 -1.400 1.00 0.00 C ATOM 955 CG LEU A 62 -4.536 6.512 -0.881 1.00 0.00 C ATOM 956 CD1 LEU A 62 -4.533 6.029 0.561 1.00 0.00 C ATOM 957 CD2 LEU A 62 -5.287 7.831 -1.001 1.00 0.00 C ATOM 0 H LEU A 62 -1.071 6.519 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.112 4.886 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.540 7.252 -0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.136 7.229 -2.329 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.048 5.768 -1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.560 5.930 0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.034 5.062 0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.003 6.749 1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.303 7.707 -0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.776 8.595 -0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.321 8.137 -2.047 1.00 0.00 H new ATOM 969 N GLY A 63 -3.757 4.893 -3.575 1.00 0.00 N ATOM 970 CA GLY A 63 -4.600 4.068 -4.420 1.00 0.00 C ATOM 971 C GLY A 63 -3.990 2.707 -4.693 1.00 0.00 C ATOM 972 O GLY A 63 -4.548 1.680 -4.306 1.00 0.00 O ATOM 0 H GLY A 63 -3.627 5.850 -3.903 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.572 3.939 -3.943 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.775 4.581 -5.366 1.00 0.00 H new ATOM 976 N LYS A 64 -2.843 2.698 -5.363 1.00 0.00 N ATOM 977 CA LYS A 64 -2.156 1.453 -5.688 1.00 0.00 C ATOM 978 C LYS A 64 -2.240 0.466 -4.528 1.00 0.00 C ATOM 979 O LYS A 64 -2.401 -0.738 -4.735 1.00 0.00 O ATOM 980 CB LYS A 64 -0.690 1.729 -6.031 1.00 0.00 C ATOM 981 CG LYS A 64 -0.069 0.680 -6.936 1.00 0.00 C ATOM 982 CD LYS A 64 -0.577 0.802 -8.363 1.00 0.00 C ATOM 983 CE LYS A 64 0.181 -0.121 -9.305 1.00 0.00 C ATOM 984 NZ LYS A 64 -0.371 -1.504 -9.291 1.00 0.00 N ATOM 0 H LYS A 64 -2.369 3.539 -5.692 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.649 1.012 -6.554 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.616 2.703 -6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.114 1.787 -5.107 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.016 0.785 -6.925 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.297 -0.314 -6.552 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.640 0.562 -8.394 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.473 1.833 -8.700 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.136 0.278 -10.318 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.233 -0.147 -9.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.173 -2.102 -9.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.305 -1.895 -8.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.367 -1.483 -9.588 1.00 0.00 H new ATOM 998 N LEU A 65 -2.133 0.982 -3.309 1.00 0.00 N ATOM 999 CA LEU A 65 -2.198 0.146 -2.116 1.00 0.00 C ATOM 1000 C LEU A 65 -3.640 -0.240 -1.799 1.00 0.00 C ATOM 1001 O LEU A 65 -3.924 -1.388 -1.456 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.580 0.877 -0.922 1.00 0.00 C ATOM 1003 CG LEU A 65 -1.474 0.074 0.376 1.00 0.00 C ATOM 1004 CD1 LEU A 65 -2.850 -0.120 0.995 1.00 0.00 C ATOM 1005 CD2 LEU A 65 -0.809 -1.270 0.119 1.00 0.00 C ATOM 0 H LEU A 65 -2.001 1.976 -3.121 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.631 -0.765 -2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.581 1.209 -1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.170 1.772 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.856 0.633 1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.756 -0.693 1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.290 0.852 1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.490 -0.659 0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.742 -1.827 1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.400 -1.837 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.192 -1.110 -0.281 1.00 0.00 H new ATOM 1017 N ILE A 66 -4.544 0.727 -1.917 1.00 0.00 N ATOM 1018 CA ILE A 66 -5.956 0.487 -1.647 1.00 0.00 C ATOM 1019 C ILE A 66 -6.465 -0.726 -2.418 1.00 0.00 C ATOM 1020 O ILE A 66 -6.987 -1.673 -1.829 1.00 0.00 O ATOM 1021 CB ILE A 66 -6.815 1.713 -2.014 1.00 0.00 C ATOM 1022 CG1 ILE A 66 -6.629 2.821 -0.976 1.00 0.00 C ATOM 1023 CG2 ILE A 66 -8.280 1.319 -2.119 1.00 0.00 C ATOM 1024 CD1 ILE A 66 -7.193 4.156 -1.410 1.00 0.00 C ATOM 0 H ILE A 66 -4.324 1.683 -2.197 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.045 0.298 -0.577 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.490 2.091 -2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.107 2.519 -0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.566 2.936 -0.766 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.875 2.195 -2.379 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.398 0.559 -2.891 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.619 0.921 -1.163 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.026 4.894 -0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.697 4.480 -2.325 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.263 4.057 -1.593 1.00 0.00 H new ATOM 1036 N GLU A 67 -6.309 -0.690 -3.737 1.00 0.00 N ATOM 1037 CA GLU A 67 -6.753 -1.787 -4.588 1.00 0.00 C ATOM 1038 C GLU A 67 -6.141 -3.110 -4.134 1.00 0.00 C ATOM 1039 O GLU A 67 -6.823 -4.132 -4.068 1.00 0.00 O ATOM 1040 CB GLU A 67 -6.379 -1.515 -6.047 1.00 0.00 C ATOM 1041 CG GLU A 67 -7.202 -0.410 -6.689 1.00 0.00 C ATOM 1042 CD GLU A 67 -7.376 -0.606 -8.182 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -6.353 -0.735 -8.886 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -8.535 -0.629 -8.648 1.00 0.00 O ATOM 0 H GLU A 67 -5.879 0.086 -4.239 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.837 -1.860 -4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.324 -1.248 -6.099 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.505 -2.432 -6.623 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.183 -0.370 -6.215 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.720 0.550 -6.506 1.00 0.00 H new ATOM 1051 N PHE A 68 -4.849 -3.081 -3.823 1.00 0.00 N ATOM 1052 CA PHE A 68 -4.143 -4.277 -3.377 1.00 0.00 C ATOM 1053 C PHE A 68 -4.835 -4.896 -2.165 1.00 0.00 C ATOM 1054 O PHE A 68 -4.810 -6.113 -1.977 1.00 0.00 O ATOM 1055 CB PHE A 68 -2.692 -3.939 -3.032 1.00 0.00 C ATOM 1056 CG PHE A 68 -1.959 -5.063 -2.357 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -1.570 -6.183 -3.073 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -1.659 -4.999 -1.005 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -0.896 -7.219 -2.454 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -0.984 -6.031 -0.382 1.00 0.00 C ATOM 1061 CZ PHE A 68 -0.603 -7.143 -1.108 1.00 0.00 C ATOM 0 H PHE A 68 -4.270 -2.243 -3.872 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.156 -5.002 -4.191 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.163 -3.668 -3.946 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.676 -3.064 -2.383 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.796 -6.248 -4.127 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.956 -4.133 -0.432 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.599 -8.087 -3.024 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.754 -5.969 0.671 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.077 -7.952 -0.623 1.00 0.00 H new ATOM 1071 N CYS A 69 -5.450 -4.050 -1.347 1.00 0.00 N ATOM 1072 CA CYS A 69 -6.148 -4.512 -0.152 1.00 0.00 C ATOM 1073 C CYS A 69 -7.513 -5.091 -0.509 1.00 0.00 C ATOM 1074 O CYS A 69 -8.068 -5.900 0.234 1.00 0.00 O ATOM 1075 CB CYS A 69 -6.312 -3.363 0.845 1.00 0.00 C ATOM 1076 SG CYS A 69 -4.834 -3.025 1.830 1.00 0.00 S ATOM 0 H CYS A 69 -5.480 -3.040 -1.489 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.549 -5.299 0.307 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -6.587 -2.460 0.300 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.139 -3.594 1.517 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.070 -2.037 2.641 1.00 0.00 H new ATOM 1082 N GLU A 70 -8.050 -4.667 -1.649 1.00 0.00 N ATOM 1083 CA GLU A 70 -9.351 -5.143 -2.102 1.00 0.00 C ATOM 1084 C GLU A 70 -9.279 -6.606 -2.527 1.00 0.00 C ATOM 1085 O GLU A 70 -9.961 -7.461 -1.962 1.00 0.00 O ATOM 1086 CB GLU A 70 -9.854 -4.287 -3.267 1.00 0.00 C ATOM 1087 CG GLU A 70 -10.428 -2.948 -2.836 1.00 0.00 C ATOM 1088 CD GLU A 70 -11.862 -3.056 -2.355 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -12.068 -3.424 -1.180 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -12.779 -2.772 -3.154 1.00 0.00 O ATOM 0 H GLU A 70 -7.605 -3.996 -2.275 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.049 -5.059 -1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.031 -4.114 -3.961 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.618 -4.842 -3.811 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.812 -2.532 -2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.381 -2.250 -3.672 1.00 0.00 H new ATOM 1097 N GLU A 71 -8.448 -6.887 -3.526 1.00 0.00 N ATOM 1098 CA GLU A 71 -8.288 -8.247 -4.027 1.00 0.00 C ATOM 1099 C GLU A 71 -8.218 -9.246 -2.876 1.00 0.00 C ATOM 1100 O GLU A 71 -8.599 -10.407 -3.023 1.00 0.00 O ATOM 1101 CB GLU A 71 -7.026 -8.353 -4.885 1.00 0.00 C ATOM 1102 CG GLU A 71 -5.781 -8.724 -4.095 1.00 0.00 C ATOM 1103 CD GLU A 71 -4.574 -8.953 -4.983 1.00 0.00 C ATOM 1104 OE1 GLU A 71 -4.093 -7.976 -5.595 1.00 0.00 O ATOM 1105 OE2 GLU A 71 -4.109 -10.109 -5.065 1.00 0.00 O ATOM 0 H GLU A 71 -7.876 -6.191 -4.004 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.157 -8.485 -4.640 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.188 -9.099 -5.663 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.857 -7.400 -5.387 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.558 -7.930 -3.382 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.978 -9.626 -3.516 1.00 0.00 H new ATOM 1112 N VAL A 72 -7.728 -8.785 -1.729 1.00 0.00 N ATOM 1113 CA VAL A 72 -7.608 -9.638 -0.552 1.00 0.00 C ATOM 1114 C VAL A 72 -8.782 -9.428 0.400 1.00 0.00 C ATOM 1115 O VAL A 72 -9.025 -8.326 0.892 1.00 0.00 O ATOM 1116 CB VAL A 72 -6.294 -9.369 0.205 1.00 0.00 C ATOM 1117 CG1 VAL A 72 -6.085 -10.406 1.298 1.00 0.00 C ATOM 1118 CG2 VAL A 72 -5.118 -9.355 -0.760 1.00 0.00 C ATOM 0 H VAL A 72 -7.408 -7.827 -1.590 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.610 -10.669 -0.906 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.360 -8.388 0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.152 -10.200 1.822 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.914 -10.363 2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.039 -11.400 0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.197 -9.164 -0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.047 -10.320 -1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.266 -8.571 -1.503 1.00 0.00 H new ATOM 1128 N PRO A 73 -9.527 -10.511 0.666 1.00 0.00 N ATOM 1129 CA PRO A 73 -10.687 -10.471 1.562 1.00 0.00 C ATOM 1130 C PRO A 73 -10.288 -10.266 3.020 1.00 0.00 C ATOM 1131 O PRO A 73 -11.136 -10.259 3.910 1.00 0.00 O ATOM 1132 CB PRO A 73 -11.328 -11.848 1.372 1.00 0.00 C ATOM 1133 CG PRO A 73 -10.211 -12.729 0.927 1.00 0.00 C ATOM 1134 CD PRO A 73 -9.296 -11.856 0.115 1.00 0.00 C ATOM 0 HA PRO A 73 -11.352 -9.639 1.330 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.771 -12.209 2.300 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.125 -11.814 0.630 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.686 -13.156 1.782 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.584 -13.563 0.333 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.254 -12.159 0.220 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.536 -11.901 -0.947 1.00 0.00 H new ATOM 1142 N ALA A 74 -8.990 -10.100 3.255 1.00 0.00 N ATOM 1143 CA ALA A 74 -8.479 -9.892 4.604 1.00 0.00 C ATOM 1144 C ALA A 74 -7.935 -8.477 4.773 1.00 0.00 C ATOM 1145 O ALA A 74 -7.475 -8.103 5.853 1.00 0.00 O ATOM 1146 CB ALA A 74 -7.401 -10.916 4.923 1.00 0.00 C ATOM 0 H ALA A 74 -8.274 -10.106 2.529 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.305 -10.021 5.303 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.028 -10.749 5.934 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.820 -11.920 4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.581 -10.814 4.212 1.00 0.00 H new ATOM 1152 N LEU A 75 -7.988 -7.696 3.700 1.00 0.00 N ATOM 1153 CA LEU A 75 -7.500 -6.322 3.729 1.00 0.00 C ATOM 1154 C LEU A 75 -8.590 -5.347 3.296 1.00 0.00 C ATOM 1155 O LEU A 75 -8.495 -4.144 3.541 1.00 0.00 O ATOM 1156 CB LEU A 75 -6.278 -6.175 2.821 1.00 0.00 C ATOM 1157 CG LEU A 75 -5.050 -6.999 3.210 1.00 0.00 C ATOM 1158 CD1 LEU A 75 -3.986 -6.917 2.127 1.00 0.00 C ATOM 1159 CD2 LEU A 75 -4.491 -6.526 4.545 1.00 0.00 C ATOM 0 H LEU A 75 -8.364 -7.991 2.799 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.214 -6.086 4.754 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.569 -6.450 1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.992 -5.123 2.797 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.354 -8.041 3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.120 -7.510 2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.389 -7.304 1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.685 -5.878 1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.618 -7.124 4.806 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.203 -5.477 4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.251 -6.638 5.318 1.00 0.00 H new ATOM 1171 N ARG A 76 -9.626 -5.874 2.652 1.00 0.00 N ATOM 1172 CA ARG A 76 -10.736 -5.051 2.185 1.00 0.00 C ATOM 1173 C ARG A 76 -11.176 -4.068 3.266 1.00 0.00 C ATOM 1174 O ARG A 76 -11.129 -2.853 3.072 1.00 0.00 O ATOM 1175 CB ARG A 76 -11.915 -5.933 1.772 1.00 0.00 C ATOM 1176 CG ARG A 76 -11.853 -6.394 0.325 1.00 0.00 C ATOM 1177 CD ARG A 76 -12.906 -7.451 0.031 1.00 0.00 C ATOM 1178 NE ARG A 76 -14.249 -6.881 -0.040 1.00 0.00 N ATOM 1179 CZ ARG A 76 -14.673 -6.122 -1.045 1.00 0.00 C ATOM 1180 NH1 ARG A 76 -13.863 -5.845 -2.058 1.00 0.00 N ATOM 1181 NH2 ARG A 76 -15.910 -5.640 -1.038 1.00 0.00 N ATOM 0 H ARG A 76 -9.720 -6.868 2.441 1.00 0.00 H new ATOM 0 HA ARG A 76 -10.395 -4.484 1.319 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.949 -6.807 2.422 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.842 -5.382 1.930 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.999 -5.540 -0.337 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.863 -6.797 0.112 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.671 -7.944 -0.912 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -12.878 -8.216 0.806 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.897 -7.076 0.723 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -12.912 -6.215 -2.067 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -14.191 -5.262 -2.828 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.536 -5.852 -0.261 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -16.235 -5.057 -1.810 1.00 0.00 H new ATOM 1195 N LYS A 77 -11.604 -4.602 4.404 1.00 0.00 N ATOM 1196 CA LYS A 77 -12.052 -3.774 5.517 1.00 0.00 C ATOM 1197 C LYS A 77 -11.146 -2.559 5.691 1.00 0.00 C ATOM 1198 O LYS A 77 -11.584 -1.509 6.161 1.00 0.00 O ATOM 1199 CB LYS A 77 -12.079 -4.592 6.810 1.00 0.00 C ATOM 1200 CG LYS A 77 -12.636 -3.830 8.000 1.00 0.00 C ATOM 1201 CD LYS A 77 -14.155 -3.825 7.999 1.00 0.00 C ATOM 1202 CE LYS A 77 -14.710 -2.790 8.966 1.00 0.00 C ATOM 1203 NZ LYS A 77 -14.729 -3.293 10.366 1.00 0.00 N ATOM 0 H LYS A 77 -11.650 -5.606 4.580 1.00 0.00 H new ATOM 0 HA LYS A 77 -13.060 -3.425 5.294 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.678 -5.488 6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.067 -4.922 7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.274 -4.281 8.924 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.268 -2.804 7.981 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -14.518 -3.616 6.993 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -14.523 -4.814 8.272 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.106 -1.884 8.914 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -15.721 -2.517 8.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.114 -2.558 10.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.326 -4.143 10.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.761 -3.530 10.663 1.00 0.00 H new ATOM 1217 N ARG A 78 -9.883 -2.709 5.308 1.00 0.00 N ATOM 1218 CA ARG A 78 -8.916 -1.624 5.421 1.00 0.00 C ATOM 1219 C ARG A 78 -9.063 -0.642 4.262 1.00 0.00 C ATOM 1220 O ARG A 78 -9.272 0.553 4.472 1.00 0.00 O ATOM 1221 CB ARG A 78 -7.492 -2.183 5.453 1.00 0.00 C ATOM 1222 CG ARG A 78 -6.457 -1.184 5.944 1.00 0.00 C ATOM 1223 CD ARG A 78 -6.930 -0.461 7.195 1.00 0.00 C ATOM 1224 NE ARG A 78 -5.814 -0.040 8.040 1.00 0.00 N ATOM 1225 CZ ARG A 78 -5.965 0.461 9.260 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -7.178 0.603 9.777 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -4.901 0.820 9.967 1.00 0.00 N ATOM 0 H ARG A 78 -9.505 -3.572 4.916 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.111 -1.092 6.352 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.470 -3.062 6.097 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.218 -2.515 4.451 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.521 -1.702 6.154 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.250 -0.457 5.159 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.517 0.412 6.909 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.589 -1.116 7.765 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.868 -0.136 7.672 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.998 0.327 9.237 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.291 0.988 10.715 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.966 0.711 9.573 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.018 1.205 10.904 1.00 0.00 H new ATOM 1241 N ALA A 79 -8.951 -1.154 3.042 1.00 0.00 N ATOM 1242 CA ALA A 79 -9.072 -0.323 1.851 1.00 0.00 C ATOM 1243 C ALA A 79 -10.124 0.763 2.044 1.00 0.00 C ATOM 1244 O ALA A 79 -9.808 1.951 2.055 1.00 0.00 O ATOM 1245 CB ALA A 79 -9.411 -1.181 0.640 1.00 0.00 C ATOM 0 H ALA A 79 -8.777 -2.141 2.852 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.112 0.164 1.679 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.498 -0.547 -0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.621 -1.916 0.482 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.356 -1.696 0.812 1.00 0.00 H new ATOM 1251 N GLU A 80 -11.378 0.346 2.195 1.00 0.00 N ATOM 1252 CA GLU A 80 -12.478 1.284 2.386 1.00 0.00 C ATOM 1253 C GLU A 80 -12.073 2.410 3.335 1.00 0.00 C ATOM 1254 O GLU A 80 -12.294 3.587 3.047 1.00 0.00 O ATOM 1255 CB GLU A 80 -13.707 0.558 2.935 1.00 0.00 C ATOM 1256 CG GLU A 80 -13.564 0.127 4.385 1.00 0.00 C ATOM 1257 CD GLU A 80 -14.750 -0.681 4.874 1.00 0.00 C ATOM 1258 OE1 GLU A 80 -15.726 -0.070 5.357 1.00 0.00 O ATOM 1259 OE2 GLU A 80 -14.703 -1.925 4.773 1.00 0.00 O ATOM 0 H GLU A 80 -11.657 -0.635 2.189 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.724 1.718 1.417 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -14.575 1.211 2.843 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.903 -0.321 2.321 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.655 -0.465 4.496 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.448 1.010 5.013 1.00 0.00 H new ATOM 1266 N ILE A 81 -11.479 2.040 4.464 1.00 0.00 N ATOM 1267 CA ILE A 81 -11.043 3.017 5.454 1.00 0.00 C ATOM 1268 C ILE A 81 -10.047 4.002 4.852 1.00 0.00 C ATOM 1269 O ILE A 81 -10.119 5.206 5.103 1.00 0.00 O ATOM 1270 CB ILE A 81 -10.399 2.333 6.674 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -11.391 1.368 7.327 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -9.928 3.376 7.677 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -10.810 0.609 8.500 1.00 0.00 C ATOM 0 H ILE A 81 -11.288 1.070 4.716 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.933 3.557 5.779 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.533 1.762 6.338 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -12.263 1.928 7.663 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -11.739 0.655 6.579 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.475 2.878 8.534 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.193 4.028 7.206 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -10.779 3.970 8.011 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.568 -0.056 8.914 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.955 0.021 8.166 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.488 1.314 9.266 1.00 0.00 H new ATOM 1285 N LEU A 82 -9.119 3.483 4.055 1.00 0.00 N ATOM 1286 CA LEU A 82 -8.108 4.316 3.414 1.00 0.00 C ATOM 1287 C LEU A 82 -8.758 5.395 2.552 1.00 0.00 C ATOM 1288 O LEU A 82 -8.275 6.527 2.486 1.00 0.00 O ATOM 1289 CB LEU A 82 -7.177 3.456 2.558 1.00 0.00 C ATOM 1290 CG LEU A 82 -6.222 2.537 3.322 1.00 0.00 C ATOM 1291 CD1 LEU A 82 -5.536 1.570 2.370 1.00 0.00 C ATOM 1292 CD2 LEU A 82 -5.193 3.354 4.088 1.00 0.00 C ATOM 0 H LEU A 82 -9.046 2.489 3.837 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.525 4.803 4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.788 2.843 1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.585 4.116 1.924 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.803 1.958 4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.861 0.924 2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.287 0.960 1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.968 2.131 1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.523 2.683 4.625 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.617 3.960 3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.701 4.005 4.799 1.00 0.00 H new ATOM 1304 N LYS A 83 -9.855 5.038 1.895 1.00 0.00 N ATOM 1305 CA LYS A 83 -10.574 5.974 1.039 1.00 0.00 C ATOM 1306 C LYS A 83 -11.238 7.068 1.868 1.00 0.00 C ATOM 1307 O LYS A 83 -11.099 8.255 1.575 1.00 0.00 O ATOM 1308 CB LYS A 83 -11.628 5.235 0.211 1.00 0.00 C ATOM 1309 CG LYS A 83 -11.039 4.271 -0.803 1.00 0.00 C ATOM 1310 CD LYS A 83 -12.014 3.159 -1.149 1.00 0.00 C ATOM 1311 CE LYS A 83 -11.578 2.400 -2.392 1.00 0.00 C ATOM 1312 NZ LYS A 83 -12.739 1.831 -3.131 1.00 0.00 N ATOM 0 H LYS A 83 -10.267 4.106 1.939 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.854 6.439 0.366 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.286 4.684 0.884 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.246 5.966 -0.311 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.770 4.814 -1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.121 3.840 -0.405 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.093 2.469 -0.309 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.006 3.581 -1.309 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.022 3.069 -3.049 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.900 1.596 -2.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.399 1.321 -3.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.256 1.173 -2.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.374 2.600 -3.426 1.00 0.00 H new ATOM 1326 N LYS A 84 -11.961 6.661 2.906 1.00 0.00 N ATOM 1327 CA LYS A 84 -12.646 7.606 3.780 1.00 0.00 C ATOM 1328 C LYS A 84 -11.802 8.858 3.996 1.00 0.00 C ATOM 1329 O LYS A 84 -12.333 9.941 4.239 1.00 0.00 O ATOM 1330 CB LYS A 84 -12.959 6.951 5.128 1.00 0.00 C ATOM 1331 CG LYS A 84 -13.932 7.748 5.980 1.00 0.00 C ATOM 1332 CD LYS A 84 -14.433 6.936 7.162 1.00 0.00 C ATOM 1333 CE LYS A 84 -13.385 6.849 8.262 1.00 0.00 C ATOM 1334 NZ LYS A 84 -13.202 8.152 8.959 1.00 0.00 N ATOM 0 H LYS A 84 -12.088 5.682 3.163 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.579 7.897 3.298 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.372 5.958 4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.030 6.817 5.682 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -13.444 8.654 6.340 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.778 8.063 5.369 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -15.341 7.390 7.558 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -14.697 5.932 6.829 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -13.680 6.089 8.985 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -12.435 6.530 7.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.669 8.003 9.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.677 8.805 8.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -14.132 8.560 9.183 1.00 0.00 H new ATOM 1348 N GLU A 85 -10.485 8.700 3.904 1.00 0.00 N ATOM 1349 CA GLU A 85 -9.568 9.820 4.088 1.00 0.00 C ATOM 1350 C GLU A 85 -9.175 10.429 2.746 1.00 0.00 C ATOM 1351 O GLU A 85 -9.048 11.646 2.618 1.00 0.00 O ATOM 1352 CB GLU A 85 -8.315 9.363 4.840 1.00 0.00 C ATOM 1353 CG GLU A 85 -8.609 8.762 6.205 1.00 0.00 C ATOM 1354 CD GLU A 85 -8.959 9.813 7.241 1.00 0.00 C ATOM 1355 OE1 GLU A 85 -8.072 10.618 7.591 1.00 0.00 O ATOM 1356 OE2 GLU A 85 -10.119 9.828 7.702 1.00 0.00 O ATOM 0 H GLU A 85 -10.030 7.810 3.704 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.079 10.582 4.676 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.786 8.627 4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.645 10.214 4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.434 8.055 6.117 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.740 8.198 6.544 1.00 0.00 H new ATOM 1363 N ARG A 86 -8.984 9.572 1.748 1.00 0.00 N ATOM 1364 CA ARG A 86 -8.603 10.025 0.415 1.00 0.00 C ATOM 1365 C ARG A 86 -9.636 10.999 -0.143 1.00 0.00 C ATOM 1366 O ARG A 86 -9.300 11.909 -0.902 1.00 0.00 O ATOM 1367 CB ARG A 86 -8.451 8.831 -0.528 1.00 0.00 C ATOM 1368 CG ARG A 86 -9.735 8.459 -1.253 1.00 0.00 C ATOM 1369 CD ARG A 86 -9.504 7.345 -2.260 1.00 0.00 C ATOM 1370 NE ARG A 86 -10.758 6.805 -2.778 1.00 0.00 N ATOM 1371 CZ ARG A 86 -10.833 5.991 -3.825 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -9.730 5.624 -4.463 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -12.011 5.542 -4.236 1.00 0.00 N ATOM 0 H ARG A 86 -9.087 8.561 1.837 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.646 10.542 0.493 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.680 9.057 -1.265 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.104 7.970 0.043 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.486 8.145 -0.528 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.133 9.336 -1.764 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.903 7.723 -3.087 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.932 6.545 -1.790 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.625 7.068 -2.309 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.822 5.967 -4.150 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -9.790 4.999 -5.267 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.862 5.822 -3.748 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.066 4.917 -5.040 1.00 0.00 H new ATOM 1387 N SER A 87 -10.894 10.802 0.237 1.00 0.00 N ATOM 1388 CA SER A 87 -11.977 11.661 -0.228 1.00 0.00 C ATOM 1389 C SER A 87 -12.934 11.996 0.912 1.00 0.00 C ATOM 1390 O SER A 87 -13.038 11.252 1.886 1.00 0.00 O ATOM 1391 CB SER A 87 -12.740 10.983 -1.368 1.00 0.00 C ATOM 1392 OG SER A 87 -13.322 11.942 -2.233 1.00 0.00 O ATOM 0 H SER A 87 -11.189 10.055 0.866 1.00 0.00 H new ATOM 0 HA SER A 87 -11.539 12.589 -0.595 1.00 0.00 H new ATOM 0 HB2 SER A 87 -12.063 10.343 -1.933 1.00 0.00 H new ATOM 0 HB3 SER A 87 -13.518 10.340 -0.957 1.00 0.00 H new ATOM 0 HG SER A 87 -13.802 11.484 -2.954 1.00 0.00 H new ATOM 1398 N GLU A 88 -13.631 13.121 0.781 1.00 0.00 N ATOM 1399 CA GLU A 88 -14.578 13.554 1.800 1.00 0.00 C ATOM 1400 C GLU A 88 -15.926 13.904 1.175 1.00 0.00 C ATOM 1401 O GLU A 88 -16.968 13.404 1.599 1.00 0.00 O ATOM 1402 CB GLU A 88 -14.026 14.761 2.560 1.00 0.00 C ATOM 1403 CG GLU A 88 -13.454 15.839 1.657 1.00 0.00 C ATOM 1404 CD GLU A 88 -12.549 16.804 2.400 1.00 0.00 C ATOM 1405 OE1 GLU A 88 -11.848 16.359 3.334 1.00 0.00 O ATOM 1406 OE2 GLU A 88 -12.542 18.002 2.050 1.00 0.00 O ATOM 0 H GLU A 88 -13.557 13.748 -0.020 1.00 0.00 H new ATOM 0 HA GLU A 88 -14.724 12.730 2.499 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.822 15.192 3.167 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.249 14.423 3.246 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.893 15.370 0.848 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -14.272 16.394 1.198 1.00 0.00 H new ATOM 1413 N SER A 89 -15.897 14.770 0.167 1.00 0.00 N ATOM 1414 CA SER A 89 -17.116 15.192 -0.514 1.00 0.00 C ATOM 1415 C SER A 89 -17.913 13.985 -0.998 1.00 0.00 C ATOM 1416 O SER A 89 -19.139 13.957 -0.900 1.00 0.00 O ATOM 1417 CB SER A 89 -16.777 16.102 -1.695 1.00 0.00 C ATOM 1418 OG SER A 89 -17.952 16.568 -2.335 1.00 0.00 O ATOM 0 H SER A 89 -15.043 15.193 -0.196 1.00 0.00 H new ATOM 0 HA SER A 89 -17.727 15.747 0.198 1.00 0.00 H new ATOM 0 HB2 SER A 89 -16.188 16.951 -1.347 1.00 0.00 H new ATOM 0 HB3 SER A 89 -16.160 15.559 -2.411 1.00 0.00 H new ATOM 0 HG SER A 89 -17.707 17.149 -3.085 1.00 0.00 H new ATOM 1424 N GLY A 90 -17.207 12.989 -1.523 1.00 0.00 N ATOM 1425 CA GLY A 90 -17.863 11.793 -2.016 1.00 0.00 C ATOM 1426 C GLY A 90 -18.517 12.005 -3.367 1.00 0.00 C ATOM 1427 O GLY A 90 -18.414 13.074 -3.969 1.00 0.00 O ATOM 0 H GLY A 90 -16.191 12.989 -1.616 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -17.133 10.987 -2.092 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -18.617 11.473 -1.297 1.00 0.00 H new ATOM 1431 N PRO A 91 -19.208 10.968 -3.864 1.00 0.00 N ATOM 1432 CA PRO A 91 -19.893 11.022 -5.159 1.00 0.00 C ATOM 1433 C PRO A 91 -21.107 11.945 -5.135 1.00 0.00 C ATOM 1434 O PRO A 91 -21.448 12.564 -6.143 1.00 0.00 O ATOM 1435 CB PRO A 91 -20.328 9.573 -5.391 1.00 0.00 C ATOM 1436 CG PRO A 91 -20.432 8.986 -4.025 1.00 0.00 C ATOM 1437 CD PRO A 91 -19.373 9.664 -3.201 1.00 0.00 C ATOM 0 HA PRO A 91 -19.249 11.419 -5.944 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -21.282 9.525 -5.916 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -19.602 9.034 -5.999 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -21.423 9.154 -3.602 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -20.275 7.908 -4.051 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -19.683 9.778 -2.162 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -18.443 9.096 -3.195 1.00 0.00 H new ATOM 1445 N SER A 92 -21.755 12.033 -3.977 1.00 0.00 N ATOM 1446 CA SER A 92 -22.932 12.879 -3.824 1.00 0.00 C ATOM 1447 C SER A 92 -22.930 13.570 -2.464 1.00 0.00 C ATOM 1448 O SER A 92 -22.046 13.340 -1.639 1.00 0.00 O ATOM 1449 CB SER A 92 -24.207 12.048 -3.983 1.00 0.00 C ATOM 1450 OG SER A 92 -24.283 11.474 -5.277 1.00 0.00 O ATOM 0 H SER A 92 -21.485 11.529 -3.132 1.00 0.00 H new ATOM 0 HA SER A 92 -22.904 13.643 -4.601 1.00 0.00 H new ATOM 0 HB2 SER A 92 -24.228 11.260 -3.230 1.00 0.00 H new ATOM 0 HB3 SER A 92 -25.080 12.678 -3.809 1.00 0.00 H new ATOM 0 HG SER A 92 -25.106 10.947 -5.353 1.00 0.00 H new ATOM 1456 N SER A 93 -23.926 14.421 -2.238 1.00 0.00 N ATOM 1457 CA SER A 93 -24.038 15.152 -0.981 1.00 0.00 C ATOM 1458 C SER A 93 -25.494 15.250 -0.538 1.00 0.00 C ATOM 1459 O SER A 93 -26.379 15.561 -1.335 1.00 0.00 O ATOM 1460 CB SER A 93 -23.442 16.553 -1.126 1.00 0.00 C ATOM 1461 OG SER A 93 -24.043 17.254 -2.199 1.00 0.00 O ATOM 0 H SER A 93 -24.667 14.621 -2.909 1.00 0.00 H new ATOM 0 HA SER A 93 -23.481 14.605 -0.220 1.00 0.00 H new ATOM 0 HB2 SER A 93 -23.583 17.109 -0.199 1.00 0.00 H new ATOM 0 HB3 SER A 93 -22.367 16.479 -1.292 1.00 0.00 H new ATOM 0 HG SER A 93 -23.646 18.147 -2.270 1.00 0.00 H new ATOM 1467 N GLY A 94 -25.736 14.980 0.742 1.00 0.00 N ATOM 1468 CA GLY A 94 -27.086 15.042 1.271 1.00 0.00 C ATOM 1469 C GLY A 94 -27.667 16.441 1.212 1.00 0.00 C ATOM 1470 O GLY A 94 -27.088 17.384 1.751 1.00 0.00 O ATOM 0 H GLY A 94 -25.021 14.720 1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -27.725 14.362 0.708 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -27.084 14.696 2.304 1.00 0.00 H new TER 1474 GLY A 94