USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 773 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 31 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 39 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 9 SER OG : rot 7:sc= 0.751 USER MOD Set 2.2: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 96 GLN : amide:sc= -5.63! C(o=-4.9!,f=-13!) USER MOD Single : A 1 GLY N :NH3+ -144:sc= 0.0319 (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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -3.47! C(o=-3.5!,f=-3.2!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.624 K(o=-0.62,f=-3.5!) USER MOD Single : A 35 HIS : no HD1:sc= -0.0675 X(o=-0.068,f=0) USER MOD Single : A 38 SER OG : rot 51:sc= 1.19 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -29:sc= 0.817 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN :FLIP amide:sc= 0.00551 F(o=-0.7,f=0.0055) USER MOD Single : A 63 HIS : no HD1:sc= -4.37! C(o=-4.4!,f=-4.3!) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.255 F(o=-0.99!,f=-0.26) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0274 USER MOD Single : A 78 THR OG1 : rot 180:sc=0.000802 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -1.27 F(o=-2.1!,f=-1.3) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -78:sc= 0.368 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.130 -17.413 11.699 1.00 0.00 N ATOM 2 CA GLY A 1 -5.087 -18.485 10.720 1.00 0.00 C ATOM 3 C GLY A 1 -5.548 -17.993 9.347 1.00 0.00 C ATOM 4 O GLY A 1 -5.319 -16.838 8.988 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.332 -17.513 12.359 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.064 -16.496 11.213 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.024 -17.461 12.227 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.072 -18.876 10.648 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.723 -19.307 11.048 1.00 0.00 H new ATOM 8 N SER A 2 -6.188 -18.893 8.615 1.00 0.00 N ATOM 9 CA SER A 2 -6.683 -18.564 7.289 1.00 0.00 C ATOM 10 C SER A 2 -8.073 -17.933 7.391 1.00 0.00 C ATOM 11 O SER A 2 -9.018 -18.574 7.848 1.00 0.00 O ATOM 12 CB SER A 2 -6.728 -19.805 6.395 1.00 0.00 C ATOM 13 OG SER A 2 -6.168 -19.557 5.108 1.00 0.00 O ATOM 0 H SER A 2 -6.375 -19.850 8.915 1.00 0.00 H new ATOM 0 HA SER A 2 -5.998 -17.847 6.836 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.185 -20.618 6.876 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.761 -20.134 6.283 1.00 0.00 H new ATOM 0 HG SER A 2 -6.214 -20.374 4.568 1.00 0.00 H new ATOM 19 N SER A 3 -8.153 -16.684 6.957 1.00 0.00 N ATOM 20 CA SER A 3 -9.412 -15.958 6.994 1.00 0.00 C ATOM 21 C SER A 3 -9.379 -14.802 5.993 1.00 0.00 C ATOM 22 O SER A 3 -8.823 -13.743 6.281 1.00 0.00 O ATOM 23 CB SER A 3 -9.705 -15.434 8.401 1.00 0.00 C ATOM 24 OG SER A 3 -10.786 -16.130 9.015 1.00 0.00 O ATOM 0 H SER A 3 -7.367 -16.156 6.578 1.00 0.00 H new ATOM 0 HA SER A 3 -10.211 -16.646 6.719 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.812 -15.534 9.018 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.940 -14.371 8.350 1.00 0.00 H new ATOM 0 HG SER A 3 -10.941 -15.768 9.912 1.00 0.00 H new ATOM 30 N GLY A 4 -9.981 -15.044 4.838 1.00 0.00 N ATOM 31 CA GLY A 4 -10.027 -14.035 3.792 1.00 0.00 C ATOM 32 C GLY A 4 -11.455 -13.847 3.275 1.00 0.00 C ATOM 33 O GLY A 4 -11.714 -14.012 2.085 1.00 0.00 O ATOM 0 H GLY A 4 -10.441 -15.924 4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.648 -13.088 4.178 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.374 -14.328 2.970 1.00 0.00 H new ATOM 37 N SER A 5 -12.343 -13.503 4.197 1.00 0.00 N ATOM 38 CA SER A 5 -13.738 -13.290 3.849 1.00 0.00 C ATOM 39 C SER A 5 -13.837 -12.420 2.594 1.00 0.00 C ATOM 40 O SER A 5 -12.927 -11.648 2.297 1.00 0.00 O ATOM 41 CB SER A 5 -14.501 -12.643 5.006 1.00 0.00 C ATOM 42 OG SER A 5 -13.872 -11.447 5.458 1.00 0.00 O ATOM 0 H SER A 5 -12.124 -13.367 5.184 1.00 0.00 H new ATOM 0 HA SER A 5 -14.193 -14.260 3.647 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.519 -12.419 4.688 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.573 -13.350 5.833 1.00 0.00 H new ATOM 0 HG SER A 5 -14.390 -11.063 6.196 1.00 0.00 H new ATOM 48 N SER A 6 -14.950 -12.574 1.893 1.00 0.00 N ATOM 49 CA SER A 6 -15.181 -11.812 0.677 1.00 0.00 C ATOM 50 C SER A 6 -15.007 -10.318 0.956 1.00 0.00 C ATOM 51 O SER A 6 -15.893 -9.682 1.525 1.00 0.00 O ATOM 52 CB SER A 6 -16.575 -12.088 0.110 1.00 0.00 C ATOM 53 OG SER A 6 -16.565 -13.153 -0.836 1.00 0.00 O ATOM 0 H SER A 6 -15.702 -13.215 2.144 1.00 0.00 H new ATOM 0 HA SER A 6 -14.448 -12.124 -0.067 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.256 -12.333 0.925 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.959 -11.185 -0.365 1.00 0.00 H new ATOM 0 HG SER A 6 -17.473 -13.299 -1.173 1.00 0.00 H new ATOM 59 N GLY A 7 -13.860 -9.801 0.541 1.00 0.00 N ATOM 60 CA GLY A 7 -13.558 -8.393 0.739 1.00 0.00 C ATOM 61 C GLY A 7 -13.585 -7.635 -0.590 1.00 0.00 C ATOM 62 O GLY A 7 -14.027 -8.170 -1.605 1.00 0.00 O ATOM 0 H GLY A 7 -13.128 -10.332 0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.282 -7.955 1.426 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.576 -8.289 1.201 1.00 0.00 H new ATOM 66 N LYS A 8 -13.105 -6.401 -0.540 1.00 0.00 N ATOM 67 CA LYS A 8 -13.068 -5.564 -1.727 1.00 0.00 C ATOM 68 C LYS A 8 -11.672 -4.953 -1.871 1.00 0.00 C ATOM 69 O LYS A 8 -10.969 -4.761 -0.880 1.00 0.00 O ATOM 70 CB LYS A 8 -14.192 -4.527 -1.687 1.00 0.00 C ATOM 71 CG LYS A 8 -15.121 -4.679 -2.892 1.00 0.00 C ATOM 72 CD LYS A 8 -16.250 -5.667 -2.593 1.00 0.00 C ATOM 73 CE LYS A 8 -16.826 -6.250 -3.885 1.00 0.00 C ATOM 74 NZ LYS A 8 -17.611 -7.472 -3.598 1.00 0.00 N ATOM 0 H LYS A 8 -12.739 -5.961 0.304 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.249 -6.162 -2.620 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.764 -4.641 -0.766 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.766 -3.524 -1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.542 -3.709 -3.155 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.550 -5.024 -3.754 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.875 -6.473 -1.962 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -17.039 -5.165 -2.033 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.460 -5.510 -4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -16.017 -6.484 -4.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -17.995 -7.855 -4.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.997 -8.182 -3.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -18.394 -7.238 -2.955 1.00 0.00 H new ATOM 88 N SER A 9 -11.313 -4.664 -3.113 1.00 0.00 N ATOM 89 CA SER A 9 -10.015 -4.079 -3.400 1.00 0.00 C ATOM 90 C SER A 9 -10.183 -2.624 -3.842 1.00 0.00 C ATOM 91 O SER A 9 -10.812 -2.350 -4.862 1.00 0.00 O ATOM 92 CB SER A 9 -9.276 -4.878 -4.475 1.00 0.00 C ATOM 93 OG SER A 9 -9.778 -4.608 -5.781 1.00 0.00 O ATOM 0 H SER A 9 -11.899 -4.824 -3.932 1.00 0.00 H new ATOM 0 HA SER A 9 -9.418 -4.109 -2.489 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.213 -4.638 -4.438 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.370 -5.943 -4.264 1.00 0.00 H new ATOM 0 HG SER A 9 -10.428 -3.876 -5.737 1.00 0.00 H new ATOM 99 N LEU A 10 -9.608 -1.729 -3.052 1.00 0.00 N ATOM 100 CA LEU A 10 -9.686 -0.308 -3.349 1.00 0.00 C ATOM 101 C LEU A 10 -8.331 0.175 -3.868 1.00 0.00 C ATOM 102 O LEU A 10 -7.288 -0.340 -3.467 1.00 0.00 O ATOM 103 CB LEU A 10 -10.190 0.467 -2.130 1.00 0.00 C ATOM 104 CG LEU A 10 -11.593 0.106 -1.638 1.00 0.00 C ATOM 105 CD1 LEU A 10 -11.733 -1.404 -1.440 1.00 0.00 C ATOM 106 CD2 LEU A 10 -11.947 0.886 -0.370 1.00 0.00 C ATOM 0 H LEU A 10 -9.086 -1.960 -2.207 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.414 -0.123 -4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.488 0.312 -1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.173 1.531 -2.368 1.00 0.00 H new ATOM 0 HG LEU A 10 -12.310 0.397 -2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.739 -1.633 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.553 -1.913 -2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.006 -1.743 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.949 0.611 -0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.230 0.649 0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.915 1.955 -0.580 1.00 0.00 H new ATOM 118 N THR A 11 -8.389 1.159 -4.753 1.00 0.00 N ATOM 119 CA THR A 11 -7.179 1.718 -5.332 1.00 0.00 C ATOM 120 C THR A 11 -6.808 3.027 -4.631 1.00 0.00 C ATOM 121 O THR A 11 -7.681 3.826 -4.299 1.00 0.00 O ATOM 122 CB THR A 11 -7.404 1.877 -6.837 1.00 0.00 C ATOM 123 OG1 THR A 11 -8.203 0.751 -7.189 1.00 0.00 O ATOM 124 CG2 THR A 11 -6.118 1.687 -7.644 1.00 0.00 C ATOM 0 H THR A 11 -9.255 1.584 -5.084 1.00 0.00 H new ATOM 0 HA THR A 11 -6.327 1.054 -5.185 1.00 0.00 H new ATOM 0 HB THR A 11 -7.818 2.865 -7.040 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.398 0.775 -8.149 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.333 1.810 -8.705 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.381 2.428 -7.335 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.722 0.687 -7.468 1.00 0.00 H new ATOM 132 N LEU A 12 -5.511 3.205 -4.428 1.00 0.00 N ATOM 133 CA LEU A 12 -5.013 4.403 -3.773 1.00 0.00 C ATOM 134 C LEU A 12 -3.673 4.799 -4.395 1.00 0.00 C ATOM 135 O LEU A 12 -2.842 3.941 -4.688 1.00 0.00 O ATOM 136 CB LEU A 12 -4.952 4.199 -2.258 1.00 0.00 C ATOM 137 CG LEU A 12 -5.281 2.792 -1.757 1.00 0.00 C ATOM 138 CD1 LEU A 12 -4.019 1.932 -1.670 1.00 0.00 C ATOM 139 CD2 LEU A 12 -6.031 2.845 -0.424 1.00 0.00 C ATOM 0 H LEU A 12 -4.790 2.540 -4.706 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.697 5.237 -3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.950 4.460 -1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.642 4.901 -1.789 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.944 2.319 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.281 0.937 -1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.563 1.854 -2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.312 2.392 -0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.253 1.831 -0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.413 3.345 0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.962 3.396 -0.552 1.00 0.00 H new ATOM 151 N VAL A 13 -3.504 6.101 -4.578 1.00 0.00 N ATOM 152 CA VAL A 13 -2.278 6.622 -5.160 1.00 0.00 C ATOM 153 C VAL A 13 -1.365 7.131 -4.043 1.00 0.00 C ATOM 154 O VAL A 13 -1.712 8.076 -3.336 1.00 0.00 O ATOM 155 CB VAL A 13 -2.608 7.695 -6.200 1.00 0.00 C ATOM 156 CG1 VAL A 13 -1.370 8.529 -6.537 1.00 0.00 C ATOM 157 CG2 VAL A 13 -3.209 7.071 -7.461 1.00 0.00 C ATOM 0 H VAL A 13 -4.195 6.810 -4.334 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.739 5.834 -5.686 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.355 8.362 -5.769 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.631 9.284 -7.278 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.004 9.018 -5.634 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.592 7.880 -6.939 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.434 7.856 -8.183 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.496 6.371 -7.896 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.126 6.541 -7.203 1.00 0.00 H new ATOM 167 N LEU A 14 -0.216 6.483 -3.920 1.00 0.00 N ATOM 168 CA LEU A 14 0.749 6.859 -2.901 1.00 0.00 C ATOM 169 C LEU A 14 1.935 7.562 -3.563 1.00 0.00 C ATOM 170 O LEU A 14 2.204 7.354 -4.745 1.00 0.00 O ATOM 171 CB LEU A 14 1.146 5.641 -2.064 1.00 0.00 C ATOM 172 CG LEU A 14 -0.001 4.900 -1.372 1.00 0.00 C ATOM 173 CD1 LEU A 14 0.527 3.737 -0.531 1.00 0.00 C ATOM 174 CD2 LEU A 14 -0.856 5.863 -0.546 1.00 0.00 C ATOM 0 H LEU A 14 0.068 5.700 -4.509 1.00 0.00 H new ATOM 0 HA LEU A 14 0.307 7.568 -2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.670 4.936 -2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.856 5.964 -1.302 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.646 4.475 -2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.308 3.227 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.059 3.035 -1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.207 4.118 0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.664 5.311 -0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.237 6.338 0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.277 6.627 -1.199 1.00 0.00 H new ATOM 186 N HIS A 15 2.613 8.381 -2.773 1.00 0.00 N ATOM 187 CA HIS A 15 3.764 9.117 -3.268 1.00 0.00 C ATOM 188 C HIS A 15 4.897 9.048 -2.242 1.00 0.00 C ATOM 189 O HIS A 15 4.682 8.642 -1.100 1.00 0.00 O ATOM 190 CB HIS A 15 3.378 10.552 -3.628 1.00 0.00 C ATOM 191 CG HIS A 15 1.970 10.695 -4.156 1.00 0.00 C ATOM 192 ND1 HIS A 15 1.691 10.966 -5.484 1.00 0.00 N ATOM 193 CD2 HIS A 15 0.767 10.601 -3.520 1.00 0.00 C ATOM 194 CE1 HIS A 15 0.376 11.031 -5.630 1.00 0.00 C ATOM 195 NE2 HIS A 15 -0.195 10.805 -4.412 1.00 0.00 N ATOM 0 H HIS A 15 2.387 8.551 -1.793 1.00 0.00 H new ATOM 0 HA HIS A 15 4.125 8.658 -4.188 1.00 0.00 H new ATOM 0 HB2 HIS A 15 3.489 11.180 -2.744 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.076 10.928 -4.376 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.622 10.396 -2.470 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.151 11.228 -6.552 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -1.196 10.794 -4.218 1.00 0.00 H new ATOM 203 N ARG A 16 6.079 9.450 -2.685 1.00 0.00 N ATOM 204 CA ARG A 16 7.247 9.439 -1.820 1.00 0.00 C ATOM 205 C ARG A 16 8.006 10.762 -1.936 1.00 0.00 C ATOM 206 O ARG A 16 8.606 11.049 -2.971 1.00 0.00 O ATOM 207 CB ARG A 16 8.187 8.286 -2.177 1.00 0.00 C ATOM 208 CG ARG A 16 8.392 8.195 -3.691 1.00 0.00 C ATOM 209 CD ARG A 16 8.927 6.818 -4.090 1.00 0.00 C ATOM 210 NE ARG A 16 9.361 6.835 -5.505 1.00 0.00 N ATOM 211 CZ ARG A 16 10.449 7.479 -5.949 1.00 0.00 C ATOM 212 NH1 ARG A 16 11.220 8.163 -5.092 1.00 0.00 N ATOM 213 NH2 ARG A 16 10.767 7.439 -7.250 1.00 0.00 N ATOM 0 H ARG A 16 6.253 9.786 -3.632 1.00 0.00 H new ATOM 0 HA ARG A 16 6.899 9.304 -0.796 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.148 8.430 -1.684 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.775 7.348 -1.805 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.448 8.384 -4.201 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.089 8.968 -4.014 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.764 6.543 -3.448 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.154 6.063 -3.947 1.00 0.00 H new ATOM 0 HE ARG A 16 8.797 6.325 -6.184 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.979 8.193 -4.101 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.048 8.653 -5.430 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.181 6.918 -7.902 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.595 7.929 -7.588 1.00 0.00 H new ATOM 227 N ASP A 17 7.956 11.533 -0.859 1.00 0.00 N ATOM 228 CA ASP A 17 8.632 12.819 -0.828 1.00 0.00 C ATOM 229 C ASP A 17 10.067 12.623 -0.336 1.00 0.00 C ATOM 230 O ASP A 17 10.364 12.859 0.835 1.00 0.00 O ATOM 231 CB ASP A 17 7.931 13.785 0.129 1.00 0.00 C ATOM 232 CG ASP A 17 8.636 15.130 0.321 1.00 0.00 C ATOM 233 OD1 ASP A 17 9.360 15.530 -0.617 1.00 0.00 O ATOM 234 OD2 ASP A 17 8.435 15.727 1.400 1.00 0.00 O ATOM 0 H ASP A 17 7.458 11.292 -0.002 1.00 0.00 H new ATOM 0 HA ASP A 17 8.616 13.234 -1.836 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.922 13.970 -0.240 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.832 13.302 1.101 1.00 0.00 H new ATOM 239 N SER A 18 10.920 12.195 -1.254 1.00 0.00 N ATOM 240 CA SER A 18 12.318 11.965 -0.929 1.00 0.00 C ATOM 241 C SER A 18 12.495 10.562 -0.344 1.00 0.00 C ATOM 242 O SER A 18 12.921 10.412 0.800 1.00 0.00 O ATOM 243 CB SER A 18 12.835 13.019 0.053 1.00 0.00 C ATOM 244 OG SER A 18 14.175 13.406 -0.236 1.00 0.00 O ATOM 0 H SER A 18 10.670 12.001 -2.224 1.00 0.00 H new ATOM 0 HA SER A 18 12.901 12.045 -1.847 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.189 13.896 0.017 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.782 12.626 1.068 1.00 0.00 H new ATOM 0 HG SER A 18 14.467 14.081 0.412 1.00 0.00 H new ATOM 250 N GLY A 19 12.161 9.571 -1.157 1.00 0.00 N ATOM 251 CA GLY A 19 12.278 8.186 -0.735 1.00 0.00 C ATOM 252 C GLY A 19 11.515 7.943 0.569 1.00 0.00 C ATOM 253 O GLY A 19 11.927 7.126 1.391 1.00 0.00 O ATOM 0 H GLY A 19 11.809 9.700 -2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.890 7.531 -1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.329 7.931 -0.598 1.00 0.00 H new ATOM 257 N SER A 20 10.416 8.668 0.718 1.00 0.00 N ATOM 258 CA SER A 20 9.591 8.542 1.907 1.00 0.00 C ATOM 259 C SER A 20 8.118 8.418 1.513 1.00 0.00 C ATOM 260 O SER A 20 7.423 9.422 1.370 1.00 0.00 O ATOM 261 CB SER A 20 9.791 9.735 2.844 1.00 0.00 C ATOM 262 OG SER A 20 9.576 9.384 4.209 1.00 0.00 O ATOM 0 H SER A 20 10.078 9.345 0.034 1.00 0.00 H new ATOM 0 HA SER A 20 9.894 7.640 2.439 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.802 10.124 2.725 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.106 10.535 2.563 1.00 0.00 H new ATOM 0 HG SER A 20 9.715 10.172 4.775 1.00 0.00 H new ATOM 268 N LEU A 21 7.686 7.176 1.348 1.00 0.00 N ATOM 269 CA LEU A 21 6.308 6.907 0.973 1.00 0.00 C ATOM 270 C LEU A 21 5.372 7.497 2.029 1.00 0.00 C ATOM 271 O LEU A 21 4.308 8.018 1.699 1.00 0.00 O ATOM 272 CB LEU A 21 6.100 5.411 0.734 1.00 0.00 C ATOM 273 CG LEU A 21 6.384 4.912 -0.685 1.00 0.00 C ATOM 274 CD1 LEU A 21 5.462 5.592 -1.699 1.00 0.00 C ATOM 275 CD2 LEU A 21 7.861 5.089 -1.043 1.00 0.00 C ATOM 0 H LEU A 21 8.266 6.345 1.467 1.00 0.00 H new ATOM 0 HA LEU A 21 6.069 7.393 0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.738 4.861 1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.069 5.163 0.985 1.00 0.00 H new ATOM 0 HG LEU A 21 6.170 3.844 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.684 5.220 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.424 5.371 -1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.621 6.670 -1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.036 4.727 -2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.126 6.145 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.475 4.522 -0.344 1.00 0.00 H new ATOM 287 N GLY A 22 5.802 7.396 3.278 1.00 0.00 N ATOM 288 CA GLY A 22 5.016 7.913 4.385 1.00 0.00 C ATOM 289 C GLY A 22 4.310 6.780 5.133 1.00 0.00 C ATOM 290 O GLY A 22 3.237 6.979 5.700 1.00 0.00 O ATOM 0 H GLY A 22 6.685 6.963 3.548 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.663 8.459 5.072 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.278 8.622 4.011 1.00 0.00 H new ATOM 294 N PHE A 23 4.942 5.615 5.110 1.00 0.00 N ATOM 295 CA PHE A 23 4.389 4.450 5.779 1.00 0.00 C ATOM 296 C PHE A 23 5.396 3.298 5.797 1.00 0.00 C ATOM 297 O PHE A 23 6.516 3.441 5.309 1.00 0.00 O ATOM 298 CB PHE A 23 3.156 4.021 4.982 1.00 0.00 C ATOM 299 CG PHE A 23 3.475 3.178 3.746 1.00 0.00 C ATOM 300 CD1 PHE A 23 4.435 3.587 2.874 1.00 0.00 C ATOM 301 CD2 PHE A 23 2.800 2.020 3.519 1.00 0.00 C ATOM 302 CE1 PHE A 23 4.732 2.805 1.726 1.00 0.00 C ATOM 303 CE2 PHE A 23 3.097 1.237 2.372 1.00 0.00 C ATOM 304 CZ PHE A 23 4.057 1.647 1.500 1.00 0.00 C ATOM 0 H PHE A 23 5.832 5.453 4.638 1.00 0.00 H new ATOM 0 HA PHE A 23 4.141 4.696 6.812 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.494 3.453 5.635 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.610 4.911 4.671 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.972 4.507 3.054 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.037 1.695 4.211 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.494 3.130 1.033 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.561 0.317 2.192 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.283 1.052 0.627 1.00 0.00 H new ATOM 314 N ASN A 24 4.961 2.183 6.365 1.00 0.00 N ATOM 315 CA ASN A 24 5.811 1.008 6.454 1.00 0.00 C ATOM 316 C ASN A 24 4.988 -0.237 6.117 1.00 0.00 C ATOM 317 O ASN A 24 3.826 -0.131 5.726 1.00 0.00 O ATOM 318 CB ASN A 24 6.370 0.837 7.867 1.00 0.00 C ATOM 319 CG ASN A 24 7.889 1.013 7.882 1.00 0.00 C ATOM 320 OD1 ASN A 24 8.417 2.091 7.665 1.00 0.00 O ATOM 321 ND2 ASN A 24 8.561 -0.104 8.147 1.00 0.00 N ATOM 0 H ASN A 24 4.031 2.068 6.768 1.00 0.00 H new ATOM 0 HA ASN A 24 6.636 1.135 5.754 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.910 1.565 8.534 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.111 -0.151 8.247 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.580 -0.091 8.178 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.057 -0.974 8.320 1.00 0.00 H new ATOM 328 N ILE A 25 5.622 -1.389 6.280 1.00 0.00 N ATOM 329 CA ILE A 25 4.963 -2.653 5.998 1.00 0.00 C ATOM 330 C ILE A 25 5.538 -3.738 6.911 1.00 0.00 C ATOM 331 O ILE A 25 6.629 -3.580 7.457 1.00 0.00 O ATOM 332 CB ILE A 25 5.062 -2.988 4.508 1.00 0.00 C ATOM 333 CG1 ILE A 25 6.415 -2.559 3.938 1.00 0.00 C ATOM 334 CG2 ILE A 25 3.893 -2.378 3.731 1.00 0.00 C ATOM 335 CD1 ILE A 25 6.647 -3.174 2.557 1.00 0.00 C ATOM 0 H ILE A 25 6.586 -1.473 6.604 1.00 0.00 H new ATOM 0 HA ILE A 25 3.897 -2.584 6.216 1.00 0.00 H new ATOM 0 HB ILE A 25 4.994 -4.070 4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.456 -1.472 3.868 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.213 -2.865 4.615 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.987 -2.631 2.675 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.954 -2.774 4.117 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.905 -1.294 3.847 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.616 -2.853 2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.629 -4.261 2.635 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.861 -2.847 1.876 1.00 0.00 H new ATOM 347 N ILE A 26 4.778 -4.814 7.049 1.00 0.00 N ATOM 348 CA ILE A 26 5.198 -5.924 7.887 1.00 0.00 C ATOM 349 C ILE A 26 5.079 -7.228 7.095 1.00 0.00 C ATOM 350 O ILE A 26 4.450 -7.262 6.039 1.00 0.00 O ATOM 351 CB ILE A 26 4.416 -5.930 9.202 1.00 0.00 C ATOM 352 CG1 ILE A 26 3.084 -6.666 9.044 1.00 0.00 C ATOM 353 CG2 ILE A 26 4.225 -4.507 9.732 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.408 -6.873 10.401 1.00 0.00 C ATOM 0 H ILE A 26 3.874 -4.941 6.595 1.00 0.00 H new ATOM 0 HA ILE A 26 6.246 -5.814 8.167 1.00 0.00 H new ATOM 0 HB ILE A 26 4.999 -6.475 9.944 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.425 -6.096 8.389 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.252 -7.631 8.566 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.666 -4.539 10.667 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.199 -4.050 9.907 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.673 -3.917 9.000 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.463 -7.398 10.261 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.059 -7.463 11.046 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.219 -5.905 10.865 1.00 0.00 H new ATOM 366 N GLY A 27 5.694 -8.270 7.636 1.00 0.00 N ATOM 367 CA GLY A 27 5.664 -9.573 6.994 1.00 0.00 C ATOM 368 C GLY A 27 7.047 -9.951 6.458 1.00 0.00 C ATOM 369 O GLY A 27 8.060 -9.433 6.924 1.00 0.00 O ATOM 0 H GLY A 27 6.216 -8.238 8.512 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.328 -10.326 7.707 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.943 -9.563 6.176 1.00 0.00 H new ATOM 373 N GLY A 28 7.043 -10.851 5.486 1.00 0.00 N ATOM 374 CA GLY A 28 8.284 -11.305 4.881 1.00 0.00 C ATOM 375 C GLY A 28 9.229 -11.882 5.937 1.00 0.00 C ATOM 376 O GLY A 28 10.298 -11.327 6.189 1.00 0.00 O ATOM 0 H GLY A 28 6.200 -11.278 5.102 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.070 -12.062 4.127 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.769 -10.474 4.369 1.00 0.00 H new ATOM 380 N ARG A 29 8.802 -12.989 6.525 1.00 0.00 N ATOM 381 CA ARG A 29 9.597 -13.648 7.548 1.00 0.00 C ATOM 382 C ARG A 29 10.741 -14.434 6.906 1.00 0.00 C ATOM 383 O ARG A 29 10.544 -15.114 5.900 1.00 0.00 O ATOM 384 CB ARG A 29 8.739 -14.600 8.384 1.00 0.00 C ATOM 385 CG ARG A 29 7.686 -13.830 9.184 1.00 0.00 C ATOM 386 CD ARG A 29 6.273 -14.211 8.739 1.00 0.00 C ATOM 387 NE ARG A 29 5.389 -14.341 9.919 1.00 0.00 N ATOM 388 CZ ARG A 29 4.143 -14.831 9.874 1.00 0.00 C ATOM 389 NH1 ARG A 29 3.626 -15.241 8.707 1.00 0.00 N ATOM 390 NH2 ARG A 29 3.413 -14.912 10.995 1.00 0.00 N ATOM 0 H ARG A 29 7.916 -13.447 6.313 1.00 0.00 H new ATOM 0 HA ARG A 29 10.004 -12.876 8.201 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.249 -15.322 7.731 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.375 -15.166 9.064 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.806 -14.041 10.247 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.836 -12.758 9.053 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.880 -13.453 8.061 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.297 -15.151 8.187 1.00 0.00 H new ATOM 0 HE ARG A 29 5.751 -14.038 10.823 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.181 -15.180 7.854 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.677 -15.614 8.673 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.806 -14.600 11.883 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.464 -15.285 10.960 1.00 0.00 H new ATOM 404 N PRO A 30 11.943 -14.313 7.530 1.00 0.00 N ATOM 405 CA PRO A 30 13.120 -15.004 7.030 1.00 0.00 C ATOM 406 C PRO A 30 13.060 -16.497 7.361 1.00 0.00 C ATOM 407 O PRO A 30 13.966 -17.032 7.998 1.00 0.00 O ATOM 408 CB PRO A 30 14.297 -14.298 7.682 1.00 0.00 C ATOM 409 CG PRO A 30 13.726 -13.547 8.873 1.00 0.00 C ATOM 410 CD PRO A 30 12.214 -13.517 8.723 1.00 0.00 C ATOM 0 HA PRO A 30 13.202 -14.965 5.944 1.00 0.00 H new ATOM 0 HB2 PRO A 30 15.055 -15.014 7.999 1.00 0.00 H new ATOM 0 HB3 PRO A 30 14.778 -13.614 6.983 1.00 0.00 H new ATOM 0 HG2 PRO A 30 14.008 -14.038 9.805 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.126 -12.534 8.913 1.00 0.00 H new ATOM 0 HD2 PRO A 30 11.721 -13.937 9.600 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.848 -12.497 8.610 1.00 0.00 H new ATOM 418 N SER A 31 11.984 -17.127 6.913 1.00 0.00 N ATOM 419 CA SER A 31 11.794 -18.547 7.154 1.00 0.00 C ATOM 420 C SER A 31 12.263 -18.906 8.565 1.00 0.00 C ATOM 421 O SER A 31 13.335 -19.484 8.739 1.00 0.00 O ATOM 422 CB SER A 31 12.543 -19.387 6.116 1.00 0.00 C ATOM 423 OG SER A 31 11.776 -19.578 4.930 1.00 0.00 O ATOM 0 H SER A 31 11.235 -16.680 6.384 1.00 0.00 H new ATOM 0 HA SER A 31 10.731 -18.770 7.064 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.484 -18.898 5.864 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.793 -20.357 6.546 1.00 0.00 H new ATOM 0 HG SER A 31 12.289 -20.117 4.292 1.00 0.00 H new ATOM 429 N VAL A 32 11.436 -18.549 9.537 1.00 0.00 N ATOM 430 CA VAL A 32 11.753 -18.827 10.928 1.00 0.00 C ATOM 431 C VAL A 32 12.270 -20.261 11.053 1.00 0.00 C ATOM 432 O VAL A 32 13.229 -20.518 11.779 1.00 0.00 O ATOM 433 CB VAL A 32 10.531 -18.553 11.807 1.00 0.00 C ATOM 434 CG1 VAL A 32 9.325 -19.371 11.340 1.00 0.00 C ATOM 435 CG2 VAL A 32 10.843 -18.827 13.280 1.00 0.00 C ATOM 0 H VAL A 32 10.548 -18.070 9.389 1.00 0.00 H new ATOM 0 HA VAL A 32 12.545 -18.165 11.279 1.00 0.00 H new ATOM 0 HB VAL A 32 10.277 -17.497 11.709 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.470 -19.158 11.982 1.00 0.00 H new ATOM 0 HG12 VAL A 32 9.082 -19.106 10.311 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.563 -20.433 11.394 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.958 -18.625 13.883 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.135 -19.870 13.402 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.659 -18.182 13.605 1.00 0.00 H new ATOM 445 N ASP A 33 11.611 -21.158 10.334 1.00 0.00 N ATOM 446 CA ASP A 33 11.992 -22.560 10.355 1.00 0.00 C ATOM 447 C ASP A 33 10.939 -23.382 9.609 1.00 0.00 C ATOM 448 O ASP A 33 9.882 -23.689 10.159 1.00 0.00 O ATOM 449 CB ASP A 33 12.074 -23.087 11.789 1.00 0.00 C ATOM 450 CG ASP A 33 13.388 -23.785 12.147 1.00 0.00 C ATOM 451 OD1 ASP A 33 14.399 -23.464 11.486 1.00 0.00 O ATOM 452 OD2 ASP A 33 13.351 -24.623 13.074 1.00 0.00 O ATOM 0 H ASP A 33 10.816 -20.941 9.733 1.00 0.00 H new ATOM 0 HA ASP A 33 12.969 -22.651 9.881 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.924 -22.254 12.476 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.253 -23.785 11.951 1.00 0.00 H new ATOM 457 N ASN A 34 11.263 -23.714 8.368 1.00 0.00 N ATOM 458 CA ASN A 34 10.358 -24.494 7.541 1.00 0.00 C ATOM 459 C ASN A 34 10.769 -24.358 6.074 1.00 0.00 C ATOM 460 O ASN A 34 10.929 -23.248 5.570 1.00 0.00 O ATOM 461 CB ASN A 34 8.918 -23.993 7.676 1.00 0.00 C ATOM 462 CG ASN A 34 8.039 -25.032 8.376 1.00 0.00 C ATOM 463 OD1 ASN A 34 8.446 -26.152 8.637 1.00 0.00 O ATOM 464 ND2 ASN A 34 6.815 -24.599 8.663 1.00 0.00 N ATOM 0 H ASN A 34 12.140 -23.457 7.915 1.00 0.00 H new ATOM 0 HA ASN A 34 10.412 -25.532 7.870 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.905 -23.061 8.241 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.512 -23.773 6.689 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.152 -25.217 9.130 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.539 -23.648 8.416 1.00 0.00 H new ATOM 471 N HIS A 35 10.930 -25.505 5.429 1.00 0.00 N ATOM 472 CA HIS A 35 11.320 -25.528 4.030 1.00 0.00 C ATOM 473 C HIS A 35 10.077 -25.394 3.148 1.00 0.00 C ATOM 474 O HIS A 35 9.927 -24.409 2.426 1.00 0.00 O ATOM 475 CB HIS A 35 12.138 -26.782 3.715 1.00 0.00 C ATOM 476 CG HIS A 35 12.856 -26.730 2.388 1.00 0.00 C ATOM 477 ND1 HIS A 35 13.212 -27.866 1.682 1.00 0.00 N ATOM 478 CD2 HIS A 35 13.280 -25.667 1.646 1.00 0.00 C ATOM 479 CE1 HIS A 35 13.823 -27.492 0.568 1.00 0.00 C ATOM 480 NE2 HIS A 35 13.865 -26.129 0.547 1.00 0.00 N ATOM 0 H HIS A 35 10.797 -26.425 5.850 1.00 0.00 H new ATOM 0 HA HIS A 35 11.968 -24.678 3.815 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.871 -26.934 4.507 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.475 -27.647 3.724 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.160 -24.626 1.908 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.219 -28.151 -0.191 1.00 0.00 H new ATOM 0 HE2 HIS A 35 14.278 -25.559 -0.191 1.00 0.00 H new ATOM 488 N ASP A 36 9.217 -26.398 3.236 1.00 0.00 N ATOM 489 CA ASP A 36 7.992 -26.405 2.455 1.00 0.00 C ATOM 490 C ASP A 36 8.338 -26.275 0.970 1.00 0.00 C ATOM 491 O ASP A 36 9.493 -26.047 0.616 1.00 0.00 O ATOM 492 CB ASP A 36 7.090 -25.229 2.835 1.00 0.00 C ATOM 493 CG ASP A 36 5.841 -25.605 3.636 1.00 0.00 C ATOM 494 OD1 ASP A 36 5.541 -26.817 3.684 1.00 0.00 O ATOM 495 OD2 ASP A 36 5.215 -24.671 4.182 1.00 0.00 O ATOM 0 H ASP A 36 9.344 -27.213 3.837 1.00 0.00 H new ATOM 0 HA ASP A 36 7.469 -27.340 2.656 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.674 -24.515 3.415 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.779 -24.720 1.923 1.00 0.00 H new ATOM 500 N GLY A 37 7.315 -26.425 0.142 1.00 0.00 N ATOM 501 CA GLY A 37 7.496 -26.327 -1.297 1.00 0.00 C ATOM 502 C GLY A 37 8.081 -24.967 -1.684 1.00 0.00 C ATOM 503 O GLY A 37 9.124 -24.898 -2.332 1.00 0.00 O ATOM 0 H GLY A 37 6.358 -26.614 0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.158 -27.122 -1.639 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.539 -26.471 -1.798 1.00 0.00 H new ATOM 507 N SER A 38 7.384 -23.919 -1.271 1.00 0.00 N ATOM 508 CA SER A 38 7.821 -22.565 -1.566 1.00 0.00 C ATOM 509 C SER A 38 7.195 -21.584 -0.573 1.00 0.00 C ATOM 510 O SER A 38 6.122 -21.038 -0.828 1.00 0.00 O ATOM 511 CB SER A 38 7.461 -22.171 -3.000 1.00 0.00 C ATOM 512 OG SER A 38 6.053 -22.063 -3.187 1.00 0.00 O ATOM 0 H SER A 38 6.519 -23.980 -0.734 1.00 0.00 H new ATOM 0 HA SER A 38 8.906 -22.527 -1.468 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.933 -21.219 -3.244 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.863 -22.912 -3.691 1.00 0.00 H new ATOM 0 HG SER A 38 5.672 -21.495 -2.485 1.00 0.00 H new ATOM 518 N SER A 39 7.891 -21.391 0.537 1.00 0.00 N ATOM 519 CA SER A 39 7.416 -20.486 1.570 1.00 0.00 C ATOM 520 C SER A 39 6.800 -19.240 0.930 1.00 0.00 C ATOM 521 O SER A 39 7.143 -18.881 -0.195 1.00 0.00 O ATOM 522 CB SER A 39 8.549 -20.090 2.519 1.00 0.00 C ATOM 523 OG SER A 39 8.895 -21.148 3.409 1.00 0.00 O ATOM 0 H SER A 39 8.780 -21.846 0.744 1.00 0.00 H new ATOM 0 HA SER A 39 6.654 -21.002 2.153 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.426 -19.804 1.938 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.250 -19.215 3.095 1.00 0.00 H new ATOM 0 HG SER A 39 9.623 -20.856 3.997 1.00 0.00 H new ATOM 529 N SER A 40 5.900 -18.614 1.676 1.00 0.00 N ATOM 530 CA SER A 40 5.233 -17.416 1.196 1.00 0.00 C ATOM 531 C SER A 40 4.668 -16.623 2.376 1.00 0.00 C ATOM 532 O SER A 40 4.260 -17.205 3.380 1.00 0.00 O ATOM 533 CB SER A 40 4.118 -17.765 0.208 1.00 0.00 C ATOM 534 OG SER A 40 4.254 -17.060 -1.023 1.00 0.00 O ATOM 0 H SER A 40 5.618 -18.915 2.609 1.00 0.00 H new ATOM 0 HA SER A 40 5.966 -16.803 0.673 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.128 -18.838 0.014 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.152 -17.531 0.655 1.00 0.00 H new ATOM 0 HG SER A 40 3.524 -17.312 -1.627 1.00 0.00 H new ATOM 540 N GLU A 41 4.662 -15.308 2.215 1.00 0.00 N ATOM 541 CA GLU A 41 4.153 -14.430 3.255 1.00 0.00 C ATOM 542 C GLU A 41 3.223 -13.376 2.651 1.00 0.00 C ATOM 543 O GLU A 41 2.914 -13.424 1.462 1.00 0.00 O ATOM 544 CB GLU A 41 5.299 -13.772 4.026 1.00 0.00 C ATOM 545 CG GLU A 41 6.065 -14.805 4.857 1.00 0.00 C ATOM 546 CD GLU A 41 7.359 -15.222 4.156 1.00 0.00 C ATOM 547 OE1 GLU A 41 8.298 -14.397 4.159 1.00 0.00 O ATOM 548 OE2 GLU A 41 7.380 -16.357 3.632 1.00 0.00 O ATOM 0 H GLU A 41 5.001 -14.829 1.381 1.00 0.00 H new ATOM 0 HA GLU A 41 3.580 -15.030 3.962 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.979 -13.285 3.328 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.903 -12.995 4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.296 -14.389 5.838 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.438 -15.681 5.022 1.00 0.00 H new ATOM 555 N GLY A 42 2.803 -12.448 3.499 1.00 0.00 N ATOM 556 CA GLY A 42 1.914 -11.384 3.064 1.00 0.00 C ATOM 557 C GLY A 42 2.458 -10.014 3.473 1.00 0.00 C ATOM 558 O GLY A 42 3.298 -9.917 4.366 1.00 0.00 O ATOM 0 H GLY A 42 3.062 -12.411 4.485 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.796 -11.424 1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.925 -11.531 3.498 1.00 0.00 H new ATOM 562 N ILE A 43 1.956 -8.989 2.801 1.00 0.00 N ATOM 563 CA ILE A 43 2.381 -7.628 3.083 1.00 0.00 C ATOM 564 C ILE A 43 1.219 -6.855 3.710 1.00 0.00 C ATOM 565 O ILE A 43 0.115 -6.839 3.168 1.00 0.00 O ATOM 566 CB ILE A 43 2.947 -6.971 1.823 1.00 0.00 C ATOM 567 CG1 ILE A 43 3.991 -7.871 1.158 1.00 0.00 C ATOM 568 CG2 ILE A 43 3.503 -5.580 2.133 1.00 0.00 C ATOM 569 CD1 ILE A 43 5.056 -8.312 2.164 1.00 0.00 C ATOM 0 H ILE A 43 1.259 -9.073 2.062 1.00 0.00 H new ATOM 0 HA ILE A 43 3.195 -7.626 3.808 1.00 0.00 H new ATOM 0 HB ILE A 43 2.133 -6.841 1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.502 -8.748 0.733 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.464 -7.338 0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.899 -5.135 1.220 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.706 -4.950 2.528 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.300 -5.663 2.872 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.785 -8.950 1.665 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.559 -7.434 2.569 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.583 -8.866 2.975 1.00 0.00 H new ATOM 581 N PHE A 44 1.507 -6.234 4.845 1.00 0.00 N ATOM 582 CA PHE A 44 0.500 -5.461 5.551 1.00 0.00 C ATOM 583 C PHE A 44 1.086 -4.152 6.084 1.00 0.00 C ATOM 584 O PHE A 44 2.299 -4.035 6.253 1.00 0.00 O ATOM 585 CB PHE A 44 0.029 -6.313 6.732 1.00 0.00 C ATOM 586 CG PHE A 44 -0.842 -7.505 6.331 1.00 0.00 C ATOM 587 CD1 PHE A 44 -0.263 -8.693 6.009 1.00 0.00 C ATOM 588 CD2 PHE A 44 -2.196 -7.377 6.297 1.00 0.00 C ATOM 589 CE1 PHE A 44 -1.072 -9.799 5.637 1.00 0.00 C ATOM 590 CE2 PHE A 44 -3.004 -8.484 5.925 1.00 0.00 C ATOM 591 CZ PHE A 44 -2.425 -9.671 5.603 1.00 0.00 C ATOM 0 H PHE A 44 2.423 -6.251 5.293 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.319 -5.212 4.876 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.901 -6.679 7.273 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.532 -5.682 7.421 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.812 -8.795 6.036 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.656 -6.434 6.553 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.612 -10.742 5.381 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.079 -8.383 5.898 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.040 -10.513 5.320 1.00 0.00 H new ATOM 601 N VAL A 45 0.198 -3.201 6.334 1.00 0.00 N ATOM 602 CA VAL A 45 0.613 -1.906 6.844 1.00 0.00 C ATOM 603 C VAL A 45 0.468 -1.891 8.367 1.00 0.00 C ATOM 604 O VAL A 45 -0.610 -2.164 8.894 1.00 0.00 O ATOM 605 CB VAL A 45 -0.183 -0.794 6.157 1.00 0.00 C ATOM 606 CG1 VAL A 45 0.335 0.586 6.569 1.00 0.00 C ATOM 607 CG2 VAL A 45 -0.154 -0.958 4.636 1.00 0.00 C ATOM 0 H VAL A 45 -0.807 -3.302 6.193 1.00 0.00 H new ATOM 0 HA VAL A 45 1.663 -1.725 6.616 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.220 -0.874 6.483 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.248 1.358 6.067 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.239 0.703 7.648 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.383 0.681 6.286 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.727 -0.155 4.172 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.877 -0.917 4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.591 -1.919 4.365 1.00 0.00 H new ATOM 617 N SER A 46 1.568 -1.571 9.031 1.00 0.00 N ATOM 618 CA SER A 46 1.577 -1.517 10.483 1.00 0.00 C ATOM 619 C SER A 46 2.016 -0.129 10.954 1.00 0.00 C ATOM 620 O SER A 46 2.203 0.095 12.148 1.00 0.00 O ATOM 621 CB SER A 46 2.496 -2.591 11.069 1.00 0.00 C ATOM 622 OG SER A 46 2.488 -2.582 12.494 1.00 0.00 O ATOM 0 H SER A 46 2.460 -1.346 8.590 1.00 0.00 H new ATOM 0 HA SER A 46 0.564 -1.710 10.837 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.182 -3.571 10.711 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.513 -2.432 10.711 1.00 0.00 H new ATOM 0 HG SER A 46 2.310 -1.673 12.814 1.00 0.00 H new ATOM 628 N LYS A 47 2.168 0.766 9.989 1.00 0.00 N ATOM 629 CA LYS A 47 2.582 2.127 10.289 1.00 0.00 C ATOM 630 C LYS A 47 2.244 3.032 9.103 1.00 0.00 C ATOM 631 O LYS A 47 2.240 2.584 7.957 1.00 0.00 O ATOM 632 CB LYS A 47 4.058 2.162 10.688 1.00 0.00 C ATOM 633 CG LYS A 47 4.297 3.162 11.821 1.00 0.00 C ATOM 634 CD LYS A 47 5.528 4.026 11.540 1.00 0.00 C ATOM 635 CE LYS A 47 5.560 5.250 12.458 1.00 0.00 C ATOM 636 NZ LYS A 47 6.858 5.332 13.165 1.00 0.00 N ATOM 0 H LYS A 47 2.012 0.576 8.999 1.00 0.00 H new ATOM 0 HA LYS A 47 2.034 2.511 11.149 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.377 1.168 11.002 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.665 2.434 9.825 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.421 3.799 11.939 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.431 2.627 12.761 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.432 3.435 11.685 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.521 4.348 10.499 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.400 6.156 11.873 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.748 5.191 13.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.864 6.168 13.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.996 4.475 13.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.628 5.411 12.470 1.00 0.00 H new ATOM 650 N ILE A 48 1.967 4.288 9.419 1.00 0.00 N ATOM 651 CA ILE A 48 1.628 5.260 8.393 1.00 0.00 C ATOM 652 C ILE A 48 1.998 6.662 8.883 1.00 0.00 C ATOM 653 O ILE A 48 1.468 7.131 9.889 1.00 0.00 O ATOM 654 CB ILE A 48 0.161 5.118 7.984 1.00 0.00 C ATOM 655 CG1 ILE A 48 -0.061 3.842 7.170 1.00 0.00 C ATOM 656 CG2 ILE A 48 -0.324 6.364 7.239 1.00 0.00 C ATOM 657 CD1 ILE A 48 -1.461 3.820 6.554 1.00 0.00 C ATOM 0 H ILE A 48 1.970 4.655 10.371 1.00 0.00 H new ATOM 0 HA ILE A 48 2.206 5.076 7.487 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.438 5.030 8.890 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.688 3.775 6.381 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.072 2.970 7.811 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.370 6.237 6.960 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.225 7.236 7.885 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.277 6.508 6.341 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.592 2.902 5.981 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.208 3.863 7.347 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.582 4.680 5.895 1.00 0.00 H new ATOM 669 N VAL A 49 2.904 7.291 8.149 1.00 0.00 N ATOM 670 CA VAL A 49 3.350 8.630 8.496 1.00 0.00 C ATOM 671 C VAL A 49 2.209 9.621 8.256 1.00 0.00 C ATOM 672 O VAL A 49 1.586 9.612 7.196 1.00 0.00 O ATOM 673 CB VAL A 49 4.618 8.978 7.714 1.00 0.00 C ATOM 674 CG1 VAL A 49 5.101 10.389 8.053 1.00 0.00 C ATOM 675 CG2 VAL A 49 5.719 7.946 7.967 1.00 0.00 C ATOM 0 H VAL A 49 3.341 6.898 7.315 1.00 0.00 H new ATOM 0 HA VAL A 49 3.611 8.684 9.553 1.00 0.00 H new ATOM 0 HB VAL A 49 4.374 8.954 6.652 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.004 10.611 7.484 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.325 11.110 7.798 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.320 10.452 9.119 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.609 8.217 7.399 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.959 7.924 9.030 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.374 6.961 7.652 1.00 0.00 H new ATOM 685 N ASP A 50 1.970 10.452 9.260 1.00 0.00 N ATOM 686 CA ASP A 50 0.915 11.447 9.172 1.00 0.00 C ATOM 687 C ASP A 50 1.246 12.437 8.054 1.00 0.00 C ATOM 688 O ASP A 50 0.652 12.385 6.978 1.00 0.00 O ATOM 689 CB ASP A 50 0.790 12.234 10.478 1.00 0.00 C ATOM 690 CG ASP A 50 -0.428 11.878 11.333 1.00 0.00 C ATOM 691 OD1 ASP A 50 -0.824 10.693 11.293 1.00 0.00 O ATOM 692 OD2 ASP A 50 -0.936 12.800 12.008 1.00 0.00 O ATOM 0 H ASP A 50 2.489 10.457 10.138 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.022 10.928 8.972 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.691 12.072 11.070 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.751 13.297 10.242 1.00 0.00 H new ATOM 697 N SER A 51 2.193 13.317 8.346 1.00 0.00 N ATOM 698 CA SER A 51 2.610 14.317 7.379 1.00 0.00 C ATOM 699 C SER A 51 2.945 13.647 6.045 1.00 0.00 C ATOM 700 O SER A 51 2.937 14.298 5.000 1.00 0.00 O ATOM 701 CB SER A 51 3.814 15.111 7.891 1.00 0.00 C ATOM 702 OG SER A 51 3.523 16.500 8.016 1.00 0.00 O ATOM 0 H SER A 51 2.683 13.358 9.239 1.00 0.00 H new ATOM 0 HA SER A 51 1.785 15.014 7.232 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.123 14.717 8.859 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.654 14.976 7.209 1.00 0.00 H new ATOM 0 HG SER A 51 4.316 16.972 8.347 1.00 0.00 H new ATOM 708 N GLY A 52 3.231 12.356 6.123 1.00 0.00 N ATOM 709 CA GLY A 52 3.568 11.591 4.934 1.00 0.00 C ATOM 710 C GLY A 52 2.516 11.786 3.840 1.00 0.00 C ATOM 711 O GLY A 52 1.348 12.035 4.134 1.00 0.00 O ATOM 0 H GLY A 52 3.236 11.820 6.991 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.545 11.900 4.563 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.643 10.533 5.187 1.00 0.00 H new ATOM 715 N PRO A 53 2.980 11.662 2.568 1.00 0.00 N ATOM 716 CA PRO A 53 2.092 11.822 1.429 1.00 0.00 C ATOM 717 C PRO A 53 1.194 10.595 1.257 1.00 0.00 C ATOM 718 O PRO A 53 0.344 10.563 0.369 1.00 0.00 O ATOM 719 CB PRO A 53 3.013 12.054 0.242 1.00 0.00 C ATOM 720 CG PRO A 53 4.383 11.556 0.674 1.00 0.00 C ATOM 721 CD PRO A 53 4.357 11.368 2.182 1.00 0.00 C ATOM 0 HA PRO A 53 1.400 12.656 1.549 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.661 11.514 -0.637 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.048 13.110 -0.025 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.622 10.616 0.176 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.156 12.271 0.392 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.638 10.352 2.459 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.059 12.039 2.677 1.00 0.00 H new ATOM 729 N ALA A 54 1.413 9.615 2.122 1.00 0.00 N ATOM 730 CA ALA A 54 0.634 8.390 2.077 1.00 0.00 C ATOM 731 C ALA A 54 -0.604 8.545 2.961 1.00 0.00 C ATOM 732 O ALA A 54 -1.661 7.994 2.658 1.00 0.00 O ATOM 733 CB ALA A 54 1.511 7.211 2.505 1.00 0.00 C ATOM 0 H ALA A 54 2.119 9.645 2.858 1.00 0.00 H new ATOM 0 HA ALA A 54 0.292 8.191 1.062 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.926 6.292 2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.361 7.125 1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.871 7.375 3.521 1.00 0.00 H new ATOM 739 N ALA A 55 -0.433 9.299 4.038 1.00 0.00 N ATOM 740 CA ALA A 55 -1.524 9.534 4.968 1.00 0.00 C ATOM 741 C ALA A 55 -2.272 10.805 4.560 1.00 0.00 C ATOM 742 O ALA A 55 -3.418 11.009 4.956 1.00 0.00 O ATOM 743 CB ALA A 55 -0.972 9.614 6.393 1.00 0.00 C ATOM 0 H ALA A 55 0.445 9.755 4.287 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.236 8.709 4.940 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.791 9.790 7.091 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.476 8.676 6.644 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.255 10.432 6.460 1.00 0.00 H new ATOM 749 N LYS A 56 -1.592 11.626 3.772 1.00 0.00 N ATOM 750 CA LYS A 56 -2.178 12.871 3.306 1.00 0.00 C ATOM 751 C LYS A 56 -3.207 12.569 2.214 1.00 0.00 C ATOM 752 O LYS A 56 -4.403 12.494 2.488 1.00 0.00 O ATOM 753 CB LYS A 56 -1.084 13.846 2.867 1.00 0.00 C ATOM 754 CG LYS A 56 -0.653 14.746 4.027 1.00 0.00 C ATOM 755 CD LYS A 56 -1.431 16.063 4.018 1.00 0.00 C ATOM 756 CE LYS A 56 -1.428 16.711 5.404 1.00 0.00 C ATOM 757 NZ LYS A 56 -2.600 17.601 5.563 1.00 0.00 N ATOM 0 H LYS A 56 -0.641 11.453 3.445 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.710 13.368 4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.224 13.289 2.495 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.448 14.459 2.042 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.817 14.229 4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.415 14.950 3.956 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.989 16.746 3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.458 15.881 3.700 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.444 15.939 6.173 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.509 17.281 5.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.582 18.033 6.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.569 18.349 4.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.474 17.048 5.451 1.00 0.00 H new ATOM 771 N GLU A 57 -2.703 12.403 1.000 1.00 0.00 N ATOM 772 CA GLU A 57 -3.563 12.110 -0.133 1.00 0.00 C ATOM 773 C GLU A 57 -3.497 10.621 -0.479 1.00 0.00 C ATOM 774 O GLU A 57 -4.385 10.097 -1.150 1.00 0.00 O ATOM 775 CB GLU A 57 -3.189 12.971 -1.342 1.00 0.00 C ATOM 776 CG GLU A 57 -3.404 14.456 -1.045 1.00 0.00 C ATOM 777 CD GLU A 57 -4.889 14.818 -1.111 1.00 0.00 C ATOM 778 OE1 GLU A 57 -5.348 15.133 -2.230 1.00 0.00 O ATOM 779 OE2 GLU A 57 -5.532 14.773 -0.040 1.00 0.00 O ATOM 0 H GLU A 57 -1.710 12.466 0.777 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.589 12.354 0.142 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.146 12.797 -1.608 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.791 12.678 -2.202 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.012 14.693 -0.056 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.847 15.059 -1.762 1.00 0.00 H new ATOM 786 N GLY A 58 -2.438 9.982 -0.005 1.00 0.00 N ATOM 787 CA GLY A 58 -2.245 8.564 -0.255 1.00 0.00 C ATOM 788 C GLY A 58 -3.582 7.821 -0.257 1.00 0.00 C ATOM 789 O GLY A 58 -4.004 7.296 -1.286 1.00 0.00 O ATOM 0 H GLY A 58 -1.704 10.421 0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.746 8.425 -1.214 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.591 8.142 0.509 1.00 0.00 H new ATOM 793 N GLY A 59 -4.213 7.800 0.909 1.00 0.00 N ATOM 794 CA GLY A 59 -5.494 7.130 1.055 1.00 0.00 C ATOM 795 C GLY A 59 -5.328 5.778 1.753 1.00 0.00 C ATOM 796 O GLY A 59 -6.295 5.033 1.907 1.00 0.00 O ATOM 0 H GLY A 59 -3.860 8.236 1.761 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.174 7.759 1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.946 6.984 0.074 1.00 0.00 H new ATOM 800 N LEU A 60 -4.096 5.502 2.155 1.00 0.00 N ATOM 801 CA LEU A 60 -3.792 4.253 2.832 1.00 0.00 C ATOM 802 C LEU A 60 -4.391 4.283 4.240 1.00 0.00 C ATOM 803 O LEU A 60 -4.877 5.319 4.690 1.00 0.00 O ATOM 804 CB LEU A 60 -2.286 3.984 2.809 1.00 0.00 C ATOM 805 CG LEU A 60 -1.865 2.518 2.924 1.00 0.00 C ATOM 806 CD1 LEU A 60 -2.656 1.643 1.950 1.00 0.00 C ATOM 807 CD2 LEU A 60 -0.355 2.365 2.734 1.00 0.00 C ATOM 0 H LEU A 60 -3.297 6.122 2.025 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.250 3.414 2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.879 4.387 1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.825 4.539 3.626 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.100 2.173 3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.338 0.606 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.720 1.720 2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.475 1.979 0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.082 1.313 2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.073 2.733 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.168 2.940 3.498 1.00 0.00 H new ATOM 819 N GLN A 61 -4.336 3.133 4.896 1.00 0.00 N ATOM 820 CA GLN A 61 -4.866 3.014 6.243 1.00 0.00 C ATOM 821 C GLN A 61 -4.232 1.820 6.960 1.00 0.00 C ATOM 822 O GLN A 61 -4.308 0.690 6.479 1.00 0.00 O ATOM 823 CB GLN A 61 -6.391 2.894 6.224 1.00 0.00 C ATOM 824 CG GLN A 61 -7.037 3.971 7.097 1.00 0.00 C ATOM 825 CD GLN A 61 -8.546 4.041 6.856 1.00 0.00 C ATOM 826 OE1 GLN A 61 -9.238 3.085 7.471 1.00 0.00 O flip ATOM 827 NE2 GLN A 61 -9.050 4.905 6.157 1.00 0.00 N flip ATOM 0 H GLN A 61 -3.932 2.275 4.519 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.612 3.920 6.793 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.754 2.985 5.200 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.686 1.907 6.580 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.843 3.757 8.148 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.585 4.939 6.880 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -8.461 5.610 5.713 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.060 4.922 6.016 1.00 0.00 H new ATOM 836 N ILE A 62 -3.619 2.111 8.098 1.00 0.00 N ATOM 837 CA ILE A 62 -2.972 1.076 8.886 1.00 0.00 C ATOM 838 C ILE A 62 -3.819 -0.197 8.842 1.00 0.00 C ATOM 839 O ILE A 62 -5.037 -0.131 8.680 1.00 0.00 O ATOM 840 CB ILE A 62 -2.690 1.579 10.303 1.00 0.00 C ATOM 841 CG1 ILE A 62 -1.786 2.813 10.278 1.00 0.00 C ATOM 842 CG2 ILE A 62 -2.112 0.463 11.176 1.00 0.00 C ATOM 843 CD1 ILE A 62 -0.974 2.925 11.570 1.00 0.00 C ATOM 0 H ILE A 62 -3.557 3.049 8.493 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.999 0.827 8.462 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.636 1.882 10.752 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.111 2.756 9.424 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.392 3.709 10.146 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.921 0.847 12.178 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.824 -0.360 11.233 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.179 0.106 10.740 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.340 3.811 11.526 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.652 3.006 12.420 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.351 2.038 11.686 1.00 0.00 H new ATOM 855 N HIS A 63 -3.141 -1.326 8.989 1.00 0.00 N ATOM 856 CA HIS A 63 -3.817 -2.612 8.968 1.00 0.00 C ATOM 857 C HIS A 63 -4.420 -2.853 7.582 1.00 0.00 C ATOM 858 O HIS A 63 -5.565 -3.287 7.467 1.00 0.00 O ATOM 859 CB HIS A 63 -4.854 -2.700 10.089 1.00 0.00 C ATOM 860 CG HIS A 63 -4.385 -2.127 11.405 1.00 0.00 C ATOM 861 ND1 HIS A 63 -3.308 -2.640 12.105 1.00 0.00 N ATOM 862 CD2 HIS A 63 -4.858 -1.079 12.140 1.00 0.00 C ATOM 863 CE1 HIS A 63 -3.149 -1.927 13.211 1.00 0.00 C ATOM 864 NE2 HIS A 63 -4.111 -0.960 13.230 1.00 0.00 N ATOM 0 H HIS A 63 -2.131 -1.377 9.123 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.096 -3.408 9.156 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.757 -2.175 9.777 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.127 -3.745 10.236 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.698 -0.453 11.879 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.391 -2.084 13.964 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -4.236 -0.261 13.962 1.00 0.00 H new ATOM 872 N ASP A 64 -3.621 -2.560 6.566 1.00 0.00 N ATOM 873 CA ASP A 64 -4.062 -2.739 5.193 1.00 0.00 C ATOM 874 C ASP A 64 -3.209 -3.820 4.525 1.00 0.00 C ATOM 875 O ASP A 64 -2.009 -3.913 4.779 1.00 0.00 O ATOM 876 CB ASP A 64 -3.902 -1.447 4.390 1.00 0.00 C ATOM 877 CG ASP A 64 -3.133 -1.593 3.076 1.00 0.00 C ATOM 878 OD1 ASP A 64 -3.447 -2.551 2.338 1.00 0.00 O ATOM 879 OD2 ASP A 64 -2.247 -0.743 2.839 1.00 0.00 O ATOM 0 H ASP A 64 -2.672 -2.200 6.666 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.114 -3.024 5.211 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.892 -1.048 4.171 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.392 -0.711 5.012 1.00 0.00 H new ATOM 884 N ARG A 65 -3.861 -4.608 3.684 1.00 0.00 N ATOM 885 CA ARG A 65 -3.178 -5.678 2.977 1.00 0.00 C ATOM 886 C ARG A 65 -2.970 -5.297 1.510 1.00 0.00 C ATOM 887 O ARG A 65 -3.832 -5.552 0.670 1.00 0.00 O ATOM 888 CB ARG A 65 -3.973 -6.983 3.050 1.00 0.00 C ATOM 889 CG ARG A 65 -3.068 -8.191 2.800 1.00 0.00 C ATOM 890 CD ARG A 65 -3.893 -9.471 2.652 1.00 0.00 C ATOM 891 NE ARG A 65 -3.265 -10.364 1.652 1.00 0.00 N ATOM 892 CZ ARG A 65 -3.704 -11.597 1.366 1.00 0.00 C ATOM 893 NH1 ARG A 65 -4.776 -12.091 2.001 1.00 0.00 N ATOM 894 NH2 ARG A 65 -3.072 -12.337 0.444 1.00 0.00 N ATOM 0 H ARG A 65 -4.856 -4.527 3.476 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.211 -5.828 3.458 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.443 -7.073 4.030 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.775 -6.966 2.312 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.478 -8.028 1.898 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.365 -8.300 3.626 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.965 -9.981 3.613 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.910 -9.225 2.345 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.447 -10.019 1.149 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.258 -11.528 2.702 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.110 -13.030 1.783 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.257 -11.961 -0.040 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.407 -13.276 0.227 1.00 0.00 H new ATOM 908 N ILE A 66 -1.821 -4.693 1.246 1.00 0.00 N ATOM 909 CA ILE A 66 -1.489 -4.274 -0.106 1.00 0.00 C ATOM 910 C ILE A 66 -1.702 -5.447 -1.065 1.00 0.00 C ATOM 911 O ILE A 66 -1.389 -6.589 -0.733 1.00 0.00 O ATOM 912 CB ILE A 66 -0.076 -3.689 -0.154 1.00 0.00 C ATOM 913 CG1 ILE A 66 0.207 -2.837 1.086 1.00 0.00 C ATOM 914 CG2 ILE A 66 0.151 -2.908 -1.450 1.00 0.00 C ATOM 915 CD1 ILE A 66 1.297 -1.802 0.802 1.00 0.00 C ATOM 0 H ILE A 66 -1.108 -4.484 1.945 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.152 -3.472 -0.430 1.00 0.00 H new ATOM 0 HB ILE A 66 0.636 -4.515 -0.147 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.706 -2.332 1.401 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.516 -3.479 1.910 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.163 -2.503 -1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.019 -3.573 -2.303 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.567 -2.091 -1.513 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.479 -1.210 1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.216 -2.312 0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.974 -1.146 -0.006 1.00 0.00 H new ATOM 927 N ILE A 67 -2.232 -5.124 -2.235 1.00 0.00 N ATOM 928 CA ILE A 67 -2.491 -6.136 -3.245 1.00 0.00 C ATOM 929 C ILE A 67 -1.586 -5.888 -4.454 1.00 0.00 C ATOM 930 O ILE A 67 -1.001 -6.823 -4.998 1.00 0.00 O ATOM 931 CB ILE A 67 -3.980 -6.181 -3.591 1.00 0.00 C ATOM 932 CG1 ILE A 67 -4.835 -5.776 -2.387 1.00 0.00 C ATOM 933 CG2 ILE A 67 -4.376 -7.553 -4.139 1.00 0.00 C ATOM 934 CD1 ILE A 67 -4.961 -6.931 -1.392 1.00 0.00 C ATOM 0 H ILE A 67 -2.489 -4.175 -2.507 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.247 -7.127 -2.861 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.169 -5.453 -4.380 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.389 -4.913 -1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.826 -5.473 -2.725 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.440 -7.557 -4.377 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.802 -7.764 -5.041 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.169 -8.317 -3.390 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.573 -6.617 -0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.430 -7.784 -1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.970 -7.215 -1.037 1.00 0.00 H new ATOM 946 N GLU A 68 -1.500 -4.623 -4.838 1.00 0.00 N ATOM 947 CA GLU A 68 -0.676 -4.239 -5.972 1.00 0.00 C ATOM 948 C GLU A 68 -0.104 -2.836 -5.762 1.00 0.00 C ATOM 949 O GLU A 68 -0.699 -2.017 -5.064 1.00 0.00 O ATOM 950 CB GLU A 68 -1.470 -4.317 -7.277 1.00 0.00 C ATOM 951 CG GLU A 68 -0.646 -4.982 -8.381 1.00 0.00 C ATOM 952 CD GLU A 68 -1.470 -6.038 -9.121 1.00 0.00 C ATOM 953 OE1 GLU A 68 -1.525 -7.177 -8.609 1.00 0.00 O ATOM 954 OE2 GLU A 68 -2.028 -5.681 -10.182 1.00 0.00 O ATOM 0 H GLU A 68 -1.987 -3.850 -4.384 1.00 0.00 H new ATOM 0 HA GLU A 68 0.154 -4.941 -6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.389 -4.880 -7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.762 -3.314 -7.590 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.299 -4.226 -9.086 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.241 -5.445 -7.949 1.00 0.00 H new ATOM 961 N VAL A 69 1.045 -2.602 -6.378 1.00 0.00 N ATOM 962 CA VAL A 69 1.705 -1.312 -6.268 1.00 0.00 C ATOM 963 C VAL A 69 2.289 -0.925 -7.628 1.00 0.00 C ATOM 964 O VAL A 69 3.161 -1.616 -8.153 1.00 0.00 O ATOM 965 CB VAL A 69 2.755 -1.355 -5.156 1.00 0.00 C ATOM 966 CG1 VAL A 69 4.147 -1.634 -5.727 1.00 0.00 C ATOM 967 CG2 VAL A 69 2.746 -0.060 -4.342 1.00 0.00 C ATOM 0 H VAL A 69 1.536 -3.284 -6.955 1.00 0.00 H new ATOM 0 HA VAL A 69 0.989 -0.539 -5.990 1.00 0.00 H new ATOM 0 HB VAL A 69 2.498 -2.174 -4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.875 -1.659 -4.916 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.143 -2.595 -6.241 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.416 -0.847 -6.431 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.502 -0.117 -3.559 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.966 0.783 -4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.764 0.079 -3.890 1.00 0.00 H new ATOM 977 N ASN A 70 1.786 0.180 -8.159 1.00 0.00 N ATOM 978 CA ASN A 70 2.247 0.667 -9.448 1.00 0.00 C ATOM 979 C ASN A 70 2.089 -0.438 -10.493 1.00 0.00 C ATOM 980 O ASN A 70 2.726 -0.399 -11.545 1.00 0.00 O ATOM 981 CB ASN A 70 3.726 1.057 -9.392 1.00 0.00 C ATOM 982 CG ASN A 70 4.010 2.261 -10.293 1.00 0.00 C ATOM 983 OD1 ASN A 70 4.370 3.357 -9.632 1.00 0.00 O flip ATOM 984 ND2 ASN A 70 3.909 2.198 -11.507 1.00 0.00 N flip ATOM 0 H ASN A 70 1.064 0.752 -7.720 1.00 0.00 H new ATOM 0 HA ASN A 70 1.652 1.542 -9.710 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.005 1.293 -8.365 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.341 0.212 -9.703 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.628 1.324 -11.951 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.106 3.020 -12.078 1.00 0.00 H new ATOM 991 N GLY A 71 1.235 -1.398 -10.168 1.00 0.00 N ATOM 992 CA GLY A 71 0.985 -2.513 -11.066 1.00 0.00 C ATOM 993 C GLY A 71 1.770 -3.753 -10.633 1.00 0.00 C ATOM 994 O GLY A 71 1.638 -4.817 -11.235 1.00 0.00 O ATOM 0 H GLY A 71 0.708 -1.427 -9.295 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.081 -2.740 -11.081 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.267 -2.236 -12.082 1.00 0.00 H new ATOM 998 N ARG A 72 2.568 -3.574 -9.591 1.00 0.00 N ATOM 999 CA ARG A 72 3.374 -4.665 -9.070 1.00 0.00 C ATOM 1000 C ARG A 72 2.637 -5.373 -7.932 1.00 0.00 C ATOM 1001 O ARG A 72 2.201 -4.733 -6.977 1.00 0.00 O ATOM 1002 CB ARG A 72 4.723 -4.158 -8.557 1.00 0.00 C ATOM 1003 CG ARG A 72 5.879 -4.924 -9.203 1.00 0.00 C ATOM 1004 CD ARG A 72 7.017 -5.145 -8.204 1.00 0.00 C ATOM 1005 NE ARG A 72 8.092 -5.946 -8.829 1.00 0.00 N ATOM 1006 CZ ARG A 72 9.058 -5.434 -9.604 1.00 0.00 C ATOM 1007 NH1 ARG A 72 9.090 -4.117 -9.852 1.00 0.00 N ATOM 1008 NH2 ARG A 72 9.993 -6.237 -10.130 1.00 0.00 N ATOM 0 H ARG A 72 2.674 -2.690 -9.093 1.00 0.00 H new ATOM 0 HA ARG A 72 3.549 -5.366 -9.886 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.822 -3.094 -8.773 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.769 -4.269 -7.474 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.522 -5.886 -9.571 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.250 -4.370 -10.065 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.413 -4.185 -7.874 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.640 -5.656 -7.318 1.00 0.00 H new ATOM 0 HE ARG A 72 8.098 -6.952 -8.659 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.379 -3.505 -9.451 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.825 -3.727 -10.442 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.970 -7.239 -9.941 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.728 -5.846 -10.720 1.00 0.00 H new ATOM 1022 N ASP A 73 2.520 -6.686 -8.071 1.00 0.00 N ATOM 1023 CA ASP A 73 1.843 -7.488 -7.066 1.00 0.00 C ATOM 1024 C ASP A 73 2.802 -7.758 -5.904 1.00 0.00 C ATOM 1025 O ASP A 73 3.931 -8.198 -6.116 1.00 0.00 O ATOM 1026 CB ASP A 73 1.405 -8.836 -7.640 1.00 0.00 C ATOM 1027 CG ASP A 73 0.382 -9.598 -6.795 1.00 0.00 C ATOM 1028 OD1 ASP A 73 -0.642 -8.973 -6.445 1.00 0.00 O ATOM 1029 OD2 ASP A 73 0.648 -10.787 -6.518 1.00 0.00 O ATOM 0 H ASP A 73 2.883 -7.214 -8.865 1.00 0.00 H new ATOM 0 HA ASP A 73 0.965 -6.937 -6.731 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.984 -8.672 -8.632 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.287 -9.463 -7.768 1.00 0.00 H new ATOM 1034 N LEU A 74 2.317 -7.483 -4.702 1.00 0.00 N ATOM 1035 CA LEU A 74 3.116 -7.691 -3.507 1.00 0.00 C ATOM 1036 C LEU A 74 2.352 -8.594 -2.538 1.00 0.00 C ATOM 1037 O LEU A 74 2.821 -8.863 -1.433 1.00 0.00 O ATOM 1038 CB LEU A 74 3.531 -6.349 -2.900 1.00 0.00 C ATOM 1039 CG LEU A 74 4.017 -5.287 -3.889 1.00 0.00 C ATOM 1040 CD1 LEU A 74 4.236 -3.945 -3.187 1.00 0.00 C ATOM 1041 CD2 LEU A 74 5.270 -5.758 -4.629 1.00 0.00 C ATOM 0 H LEU A 74 1.380 -7.118 -4.530 1.00 0.00 H new ATOM 0 HA LEU A 74 4.045 -8.204 -3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.682 -5.943 -2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.323 -6.531 -2.174 1.00 0.00 H new ATOM 0 HG LEU A 74 3.240 -5.136 -4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.581 -3.207 -3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.298 -3.608 -2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.985 -4.062 -2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.594 -4.984 -5.325 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.065 -5.955 -3.910 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.045 -6.671 -5.180 1.00 0.00 H new ATOM 1053 N SER A 75 1.186 -9.037 -2.986 1.00 0.00 N ATOM 1054 CA SER A 75 0.352 -9.905 -2.172 1.00 0.00 C ATOM 1055 C SER A 75 1.151 -11.130 -1.725 1.00 0.00 C ATOM 1056 O SER A 75 0.982 -11.611 -0.605 1.00 0.00 O ATOM 1057 CB SER A 75 -0.901 -10.338 -2.935 1.00 0.00 C ATOM 1058 OG SER A 75 -1.862 -10.950 -2.080 1.00 0.00 O ATOM 0 H SER A 75 0.799 -8.811 -3.902 1.00 0.00 H new ATOM 0 HA SER A 75 0.034 -9.346 -1.292 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.348 -9.470 -3.420 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.622 -11.036 -3.724 1.00 0.00 H new ATOM 0 HG SER A 75 -2.648 -11.211 -2.605 1.00 0.00 H new ATOM 1064 N ARG A 76 2.004 -11.601 -2.623 1.00 0.00 N ATOM 1065 CA ARG A 76 2.830 -12.761 -2.334 1.00 0.00 C ATOM 1066 C ARG A 76 4.303 -12.356 -2.252 1.00 0.00 C ATOM 1067 O ARG A 76 5.190 -13.196 -2.396 1.00 0.00 O ATOM 1068 CB ARG A 76 2.663 -13.837 -3.409 1.00 0.00 C ATOM 1069 CG ARG A 76 3.003 -13.284 -4.795 1.00 0.00 C ATOM 1070 CD ARG A 76 3.409 -14.409 -5.749 1.00 0.00 C ATOM 1071 NE ARG A 76 4.326 -13.886 -6.787 1.00 0.00 N ATOM 1072 CZ ARG A 76 5.614 -13.588 -6.570 1.00 0.00 C ATOM 1073 NH1 ARG A 76 6.146 -13.759 -5.352 1.00 0.00 N ATOM 1074 NH2 ARG A 76 6.371 -13.118 -7.571 1.00 0.00 N ATOM 0 H ARG A 76 2.141 -11.200 -3.551 1.00 0.00 H new ATOM 0 HA ARG A 76 2.508 -13.168 -1.376 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.309 -14.685 -3.183 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.638 -14.207 -3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.142 -12.752 -5.200 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.815 -12.561 -4.713 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.895 -15.211 -5.193 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.523 -14.838 -6.217 1.00 0.00 H new ATOM 0 HE ARG A 76 3.954 -13.744 -7.726 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.570 -14.116 -4.590 1.00 0.00 H new ATOM 0 HH12 ARG A 76 7.127 -13.532 -5.187 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.967 -12.987 -8.498 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.352 -12.891 -7.406 1.00 0.00 H new ATOM 1088 N ALA A 77 4.519 -11.070 -2.020 1.00 0.00 N ATOM 1089 CA ALA A 77 5.869 -10.544 -1.917 1.00 0.00 C ATOM 1090 C ALA A 77 6.238 -10.385 -0.440 1.00 0.00 C ATOM 1091 O ALA A 77 5.388 -10.535 0.436 1.00 0.00 O ATOM 1092 CB ALA A 77 5.964 -9.225 -2.686 1.00 0.00 C ATOM 0 H ALA A 77 3.781 -10.376 -1.900 1.00 0.00 H new ATOM 0 HA ALA A 77 6.585 -11.234 -2.364 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.977 -8.831 -2.608 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.721 -9.397 -3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.262 -8.506 -2.264 1.00 0.00 H new ATOM 1098 N THR A 78 7.508 -10.084 -0.210 1.00 0.00 N ATOM 1099 CA THR A 78 8.000 -9.903 1.145 1.00 0.00 C ATOM 1100 C THR A 78 8.265 -8.422 1.424 1.00 0.00 C ATOM 1101 O THR A 78 8.010 -7.572 0.572 1.00 0.00 O ATOM 1102 CB THR A 78 9.238 -10.785 1.320 1.00 0.00 C ATOM 1103 OG1 THR A 78 10.309 -9.979 0.836 1.00 0.00 O ATOM 1104 CG2 THR A 78 9.231 -11.996 0.386 1.00 0.00 C ATOM 0 H THR A 78 8.211 -9.961 -0.939 1.00 0.00 H new ATOM 0 HA THR A 78 7.256 -10.211 1.880 1.00 0.00 H new ATOM 0 HB THR A 78 9.298 -11.125 2.354 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.152 -10.473 0.914 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.131 -12.588 0.551 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.352 -12.608 0.590 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.205 -11.657 -0.650 1.00 0.00 H new ATOM 1112 N HIS A 79 8.772 -8.159 2.619 1.00 0.00 N ATOM 1113 CA HIS A 79 9.073 -6.796 3.020 1.00 0.00 C ATOM 1114 C HIS A 79 10.148 -6.215 2.099 1.00 0.00 C ATOM 1115 O HIS A 79 10.052 -5.065 1.674 1.00 0.00 O ATOM 1116 CB HIS A 79 9.465 -6.738 4.498 1.00 0.00 C ATOM 1117 CG HIS A 79 9.686 -5.339 5.021 1.00 0.00 C ATOM 1118 ND1 HIS A 79 8.804 -4.421 5.510 1.00 0.00 N flip ATOM 1119 CD2 HIS A 79 10.936 -4.748 5.077 1.00 0.00 C flip ATOM 1120 CE1 HIS A 79 9.479 -3.329 5.848 1.00 0.00 C flip ATOM 1121 NE2 HIS A 79 10.801 -3.529 5.579 1.00 0.00 N flip ATOM 0 H HIS A 79 8.982 -8.867 3.323 1.00 0.00 H new ATOM 0 HA HIS A 79 8.181 -6.178 2.916 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.684 -7.217 5.089 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.376 -7.318 4.644 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.864 -5.203 4.765 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.052 -2.430 6.267 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.553 -2.858 5.736 1.00 0.00 H new ATOM 1129 N ASP A 80 11.148 -7.038 1.818 1.00 0.00 N ATOM 1130 CA ASP A 80 12.240 -6.621 0.955 1.00 0.00 C ATOM 1131 C ASP A 80 11.684 -6.250 -0.421 1.00 0.00 C ATOM 1132 O ASP A 80 11.957 -5.165 -0.933 1.00 0.00 O ATOM 1133 CB ASP A 80 13.254 -7.751 0.765 1.00 0.00 C ATOM 1134 CG ASP A 80 14.661 -7.451 1.287 1.00 0.00 C ATOM 1135 OD1 ASP A 80 14.745 -6.783 2.340 1.00 0.00 O ATOM 1136 OD2 ASP A 80 15.620 -7.897 0.621 1.00 0.00 O ATOM 0 H ASP A 80 11.225 -7.991 2.173 1.00 0.00 H new ATOM 0 HA ASP A 80 12.732 -5.769 1.423 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.879 -8.643 1.266 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.319 -7.986 -0.297 1.00 0.00 H new ATOM 1141 N GLN A 81 10.913 -7.171 -0.981 1.00 0.00 N ATOM 1142 CA GLN A 81 10.316 -6.954 -2.288 1.00 0.00 C ATOM 1143 C GLN A 81 9.384 -5.741 -2.250 1.00 0.00 C ATOM 1144 O GLN A 81 9.459 -4.869 -3.115 1.00 0.00 O ATOM 1145 CB GLN A 81 9.572 -8.202 -2.765 1.00 0.00 C ATOM 1146 CG GLN A 81 10.543 -9.360 -3.007 1.00 0.00 C ATOM 1147 CD GLN A 81 10.073 -10.235 -4.172 1.00 0.00 C ATOM 1148 OE1 GLN A 81 10.131 -9.855 -5.330 1.00 0.00 O ATOM 1149 NE2 GLN A 81 9.607 -11.424 -3.801 1.00 0.00 N ATOM 0 H GLN A 81 10.688 -8.069 -0.553 1.00 0.00 H new ATOM 0 HA GLN A 81 11.115 -6.753 -3.002 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.830 -8.494 -2.022 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.031 -7.978 -3.684 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.537 -8.967 -3.220 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.626 -9.965 -2.104 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.587 -11.678 -2.813 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.270 -12.082 -4.504 1.00 0.00 H new ATOM 1158 N ALA A 82 8.527 -5.724 -1.240 1.00 0.00 N ATOM 1159 CA ALA A 82 7.581 -4.633 -1.078 1.00 0.00 C ATOM 1160 C ALA A 82 8.334 -3.302 -1.117 1.00 0.00 C ATOM 1161 O ALA A 82 8.038 -2.441 -1.945 1.00 0.00 O ATOM 1162 CB ALA A 82 6.799 -4.823 0.223 1.00 0.00 C ATOM 0 H ALA A 82 8.468 -6.449 -0.525 1.00 0.00 H new ATOM 0 HA ALA A 82 6.858 -4.627 -1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.090 -4.004 0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.259 -5.769 0.188 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.491 -4.831 1.065 1.00 0.00 H new ATOM 1168 N VAL A 83 9.293 -3.174 -0.212 1.00 0.00 N ATOM 1169 CA VAL A 83 10.090 -1.962 -0.132 1.00 0.00 C ATOM 1170 C VAL A 83 10.656 -1.637 -1.516 1.00 0.00 C ATOM 1171 O VAL A 83 10.467 -0.533 -2.024 1.00 0.00 O ATOM 1172 CB VAL A 83 11.175 -2.119 0.936 1.00 0.00 C ATOM 1173 CG1 VAL A 83 12.236 -1.024 0.805 1.00 0.00 C ATOM 1174 CG2 VAL A 83 10.566 -2.127 2.339 1.00 0.00 C ATOM 0 H VAL A 83 9.536 -3.890 0.472 1.00 0.00 H new ATOM 0 HA VAL A 83 9.472 -1.118 0.173 1.00 0.00 H new ATOM 0 HB VAL A 83 11.664 -3.080 0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.995 -1.159 1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.702 -1.085 -0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.767 -0.047 0.924 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.358 -2.240 3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.039 -1.189 2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.866 -2.958 2.427 1.00 0.00 H new ATOM 1184 N GLU A 84 11.340 -2.618 -2.086 1.00 0.00 N ATOM 1185 CA GLU A 84 11.934 -2.450 -3.401 1.00 0.00 C ATOM 1186 C GLU A 84 10.897 -1.912 -4.388 1.00 0.00 C ATOM 1187 O GLU A 84 11.175 -0.980 -5.140 1.00 0.00 O ATOM 1188 CB GLU A 84 12.538 -3.764 -3.901 1.00 0.00 C ATOM 1189 CG GLU A 84 13.271 -3.560 -5.229 1.00 0.00 C ATOM 1190 CD GLU A 84 14.507 -4.457 -5.316 1.00 0.00 C ATOM 1191 OE1 GLU A 84 15.503 -4.119 -4.640 1.00 0.00 O ATOM 1192 OE2 GLU A 84 14.429 -5.461 -6.056 1.00 0.00 O ATOM 0 H GLU A 84 11.496 -3.532 -1.661 1.00 0.00 H new ATOM 0 HA GLU A 84 12.742 -1.723 -3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.230 -4.157 -3.156 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.750 -4.506 -4.027 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.598 -3.781 -6.058 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.567 -2.516 -5.328 1.00 0.00 H new ATOM 1199 N ALA A 85 9.721 -2.523 -4.353 1.00 0.00 N ATOM 1200 CA ALA A 85 8.640 -2.117 -5.235 1.00 0.00 C ATOM 1201 C ALA A 85 8.374 -0.621 -5.053 1.00 0.00 C ATOM 1202 O ALA A 85 8.439 0.146 -6.012 1.00 0.00 O ATOM 1203 CB ALA A 85 7.402 -2.969 -4.951 1.00 0.00 C ATOM 0 H ALA A 85 9.494 -3.296 -3.728 1.00 0.00 H new ATOM 0 HA ALA A 85 8.914 -2.278 -6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.591 -2.664 -5.613 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.636 -4.020 -5.124 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.095 -2.831 -3.914 1.00 0.00 H new ATOM 1209 N PHE A 86 8.079 -0.252 -3.815 1.00 0.00 N ATOM 1210 CA PHE A 86 7.802 1.138 -3.495 1.00 0.00 C ATOM 1211 C PHE A 86 9.037 2.011 -3.728 1.00 0.00 C ATOM 1212 O PHE A 86 8.916 3.210 -3.973 1.00 0.00 O ATOM 1213 CB PHE A 86 7.429 1.190 -2.012 1.00 0.00 C ATOM 1214 CG PHE A 86 6.005 0.717 -1.712 1.00 0.00 C ATOM 1215 CD1 PHE A 86 4.945 1.509 -2.027 1.00 0.00 C ATOM 1216 CD2 PHE A 86 5.799 -0.495 -1.130 1.00 0.00 C ATOM 1217 CE1 PHE A 86 3.623 1.071 -1.748 1.00 0.00 C ATOM 1218 CE2 PHE A 86 4.477 -0.934 -0.852 1.00 0.00 C ATOM 1219 CZ PHE A 86 3.417 -0.142 -1.167 1.00 0.00 C ATOM 0 H PHE A 86 8.026 -0.891 -3.022 1.00 0.00 H new ATOM 0 HA PHE A 86 6.999 1.513 -4.130 1.00 0.00 H new ATOM 0 HB2 PHE A 86 8.131 0.575 -1.449 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.544 2.213 -1.655 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.109 2.471 -2.489 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.641 -1.124 -0.879 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.782 1.701 -1.997 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.314 -1.897 -0.391 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.412 -0.476 -0.956 1.00 0.00 H new ATOM 1229 N LYS A 87 10.196 1.375 -3.644 1.00 0.00 N ATOM 1230 CA LYS A 87 11.452 2.078 -3.844 1.00 0.00 C ATOM 1231 C LYS A 87 11.635 2.375 -5.333 1.00 0.00 C ATOM 1232 O LYS A 87 11.937 3.505 -5.712 1.00 0.00 O ATOM 1233 CB LYS A 87 12.610 1.292 -3.226 1.00 0.00 C ATOM 1234 CG LYS A 87 13.952 1.754 -3.797 1.00 0.00 C ATOM 1235 CD LYS A 87 15.114 1.280 -2.922 1.00 0.00 C ATOM 1236 CE LYS A 87 15.166 -0.248 -2.861 1.00 0.00 C ATOM 1237 NZ LYS A 87 16.234 -0.694 -1.939 1.00 0.00 N ATOM 0 H LYS A 87 10.292 0.380 -3.440 1.00 0.00 H new ATOM 0 HA LYS A 87 11.437 3.038 -3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.607 1.423 -2.144 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.476 0.228 -3.419 1.00 0.00 H new ATOM 0 HG2 LYS A 87 14.073 1.367 -4.809 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.966 2.842 -3.868 1.00 0.00 H new ATOM 0 HD2 LYS A 87 16.054 1.664 -3.320 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.005 1.684 -1.916 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.204 -0.637 -2.528 1.00 0.00 H new ATOM 0 HE3 LYS A 87 15.346 -0.652 -3.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 16.255 -1.733 -1.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 17.152 -0.338 -2.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 16.046 -0.324 -0.985 1.00 0.00 H new ATOM 1251 N THR A 88 11.443 1.340 -6.138 1.00 0.00 N ATOM 1252 CA THR A 88 11.583 1.475 -7.578 1.00 0.00 C ATOM 1253 C THR A 88 10.286 2.005 -8.192 1.00 0.00 C ATOM 1254 O THR A 88 10.241 2.320 -9.380 1.00 0.00 O ATOM 1255 CB THR A 88 12.012 0.119 -8.141 1.00 0.00 C ATOM 1256 OG1 THR A 88 10.830 -0.674 -8.074 1.00 0.00 O ATOM 1257 CG2 THR A 88 13.001 -0.608 -7.227 1.00 0.00 C ATOM 0 H THR A 88 11.192 0.404 -5.820 1.00 0.00 H new ATOM 0 HA THR A 88 12.350 2.206 -7.834 1.00 0.00 H new ATOM 0 HB THR A 88 12.462 0.260 -9.124 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.690 -0.975 -7.152 1.00 0.00 H new ATOM 0 HG21 THR A 88 13.273 -1.565 -7.673 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.896 0.001 -7.101 1.00 0.00 H new ATOM 0 HG23 THR A 88 12.539 -0.779 -6.255 1.00 0.00 H new ATOM 1265 N ALA A 89 9.262 2.088 -7.355 1.00 0.00 N ATOM 1266 CA ALA A 89 7.968 2.574 -7.801 1.00 0.00 C ATOM 1267 C ALA A 89 8.088 4.050 -8.186 1.00 0.00 C ATOM 1268 O ALA A 89 8.912 4.775 -7.632 1.00 0.00 O ATOM 1269 CB ALA A 89 6.929 2.342 -6.702 1.00 0.00 C ATOM 0 H ALA A 89 9.303 1.827 -6.370 1.00 0.00 H new ATOM 0 HA ALA A 89 7.637 2.028 -8.684 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.958 2.707 -7.037 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.861 1.276 -6.485 1.00 0.00 H new ATOM 0 HB3 ALA A 89 7.227 2.878 -5.801 1.00 0.00 H new ATOM 1275 N LYS A 90 7.253 4.451 -9.134 1.00 0.00 N ATOM 1276 CA LYS A 90 7.255 5.827 -9.600 1.00 0.00 C ATOM 1277 C LYS A 90 5.897 6.465 -9.300 1.00 0.00 C ATOM 1278 O LYS A 90 4.883 5.772 -9.234 1.00 0.00 O ATOM 1279 CB LYS A 90 7.652 5.892 -11.076 1.00 0.00 C ATOM 1280 CG LYS A 90 9.155 6.132 -11.230 1.00 0.00 C ATOM 1281 CD LYS A 90 9.541 7.528 -10.735 1.00 0.00 C ATOM 1282 CE LYS A 90 9.893 8.447 -11.907 1.00 0.00 C ATOM 1283 NZ LYS A 90 10.325 9.773 -11.413 1.00 0.00 N ATOM 0 H LYS A 90 6.571 3.847 -9.592 1.00 0.00 H new ATOM 0 HA LYS A 90 8.006 6.409 -9.066 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.376 4.961 -11.572 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.100 6.692 -11.570 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.707 5.378 -10.669 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.439 6.022 -12.277 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.716 7.957 -10.167 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.391 7.455 -10.057 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.687 7.998 -12.503 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.028 8.560 -12.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.560 10.385 -12.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.556 10.206 -10.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.163 9.662 -10.807 1.00 0.00 H new ATOM 1297 N GLU A 91 5.921 7.778 -9.127 1.00 0.00 N ATOM 1298 CA GLU A 91 4.704 8.517 -8.835 1.00 0.00 C ATOM 1299 C GLU A 91 4.051 8.997 -10.133 1.00 0.00 C ATOM 1300 O GLU A 91 4.743 9.367 -11.080 1.00 0.00 O ATOM 1301 CB GLU A 91 4.988 9.691 -7.897 1.00 0.00 C ATOM 1302 CG GLU A 91 5.934 9.276 -6.769 1.00 0.00 C ATOM 1303 CD GLU A 91 7.378 9.663 -7.095 1.00 0.00 C ATOM 1304 OE1 GLU A 91 7.754 10.801 -6.742 1.00 0.00 O ATOM 1305 OE2 GLU A 91 8.074 8.811 -7.689 1.00 0.00 O ATOM 0 H GLU A 91 6.764 8.350 -9.183 1.00 0.00 H new ATOM 0 HA GLU A 91 4.009 7.849 -8.327 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.428 10.513 -8.461 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.053 10.058 -7.475 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.627 9.753 -5.838 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.869 8.199 -6.612 1.00 0.00 H new ATOM 1312 N PRO A 92 2.691 8.975 -10.134 1.00 0.00 N ATOM 1313 CA PRO A 92 1.949 8.522 -8.970 1.00 0.00 C ATOM 1314 C PRO A 92 2.008 6.999 -8.841 1.00 0.00 C ATOM 1315 O PRO A 92 1.955 6.285 -9.841 1.00 0.00 O ATOM 1316 CB PRO A 92 0.537 9.047 -9.175 1.00 0.00 C ATOM 1317 CG PRO A 92 0.425 9.372 -10.656 1.00 0.00 C ATOM 1318 CD PRO A 92 1.828 9.379 -11.240 1.00 0.00 C ATOM 0 HA PRO A 92 2.366 8.894 -8.034 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.203 8.303 -8.881 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.357 9.933 -8.566 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.196 8.633 -11.163 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.053 10.341 -10.799 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.911 8.689 -12.080 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.097 10.368 -11.612 1.00 0.00 H new ATOM 1326 N ILE A 93 2.117 6.546 -7.600 1.00 0.00 N ATOM 1327 CA ILE A 93 2.183 5.121 -7.327 1.00 0.00 C ATOM 1328 C ILE A 93 0.775 4.594 -7.044 1.00 0.00 C ATOM 1329 O ILE A 93 0.176 4.931 -6.023 1.00 0.00 O ATOM 1330 CB ILE A 93 3.183 4.836 -6.205 1.00 0.00 C ATOM 1331 CG1 ILE A 93 4.566 5.394 -6.548 1.00 0.00 C ATOM 1332 CG2 ILE A 93 3.233 3.342 -5.880 1.00 0.00 C ATOM 1333 CD1 ILE A 93 5.362 5.708 -5.280 1.00 0.00 C ATOM 0 H ILE A 93 2.161 7.141 -6.773 1.00 0.00 H new ATOM 0 HA ILE A 93 2.556 4.583 -8.199 1.00 0.00 H new ATOM 0 HB ILE A 93 2.842 5.350 -5.306 1.00 0.00 H new ATOM 0 HG12 ILE A 93 5.113 4.672 -7.155 1.00 0.00 H new ATOM 0 HG13 ILE A 93 4.459 6.298 -7.147 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.952 3.168 -5.079 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.246 3.006 -5.562 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.537 2.787 -6.767 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.341 6.103 -5.553 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.825 6.448 -4.687 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.489 4.797 -4.695 1.00 0.00 H new ATOM 1345 N VAL A 94 0.287 3.776 -7.965 1.00 0.00 N ATOM 1346 CA VAL A 94 -1.039 3.199 -7.827 1.00 0.00 C ATOM 1347 C VAL A 94 -0.962 1.963 -6.928 1.00 0.00 C ATOM 1348 O VAL A 94 -0.402 0.940 -7.320 1.00 0.00 O ATOM 1349 CB VAL A 94 -1.625 2.899 -9.208 1.00 0.00 C ATOM 1350 CG1 VAL A 94 -3.025 2.292 -9.089 1.00 0.00 C ATOM 1351 CG2 VAL A 94 -1.645 4.155 -10.080 1.00 0.00 C ATOM 0 H VAL A 94 0.787 3.499 -8.810 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.716 3.907 -7.348 1.00 0.00 H new ATOM 0 HB VAL A 94 -0.981 2.165 -9.693 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.419 2.088 -10.085 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.972 1.362 -8.523 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.683 2.993 -8.575 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.066 3.914 -11.056 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.255 4.921 -9.601 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.628 4.527 -10.206 1.00 0.00 H new ATOM 1361 N VAL A 95 -1.533 2.098 -5.740 1.00 0.00 N ATOM 1362 CA VAL A 95 -1.536 1.005 -4.783 1.00 0.00 C ATOM 1363 C VAL A 95 -2.977 0.554 -4.535 1.00 0.00 C ATOM 1364 O VAL A 95 -3.907 1.352 -4.634 1.00 0.00 O ATOM 1365 CB VAL A 95 -0.814 1.429 -3.502 1.00 0.00 C ATOM 1366 CG1 VAL A 95 0.133 0.329 -3.017 1.00 0.00 C ATOM 1367 CG2 VAL A 95 -0.065 2.747 -3.706 1.00 0.00 C ATOM 0 H VAL A 95 -1.997 2.948 -5.419 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.991 0.149 -5.180 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.567 1.588 -2.730 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.634 0.656 -2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.437 -0.578 -2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.878 0.125 -3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.439 3.026 -2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.673 2.627 -4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.773 3.528 -3.983 1.00 0.00 H new ATOM 1377 N GLN A 96 -3.117 -0.725 -4.218 1.00 0.00 N ATOM 1378 CA GLN A 96 -4.428 -1.292 -3.956 1.00 0.00 C ATOM 1379 C GLN A 96 -4.425 -2.042 -2.622 1.00 0.00 C ATOM 1380 O GLN A 96 -3.491 -2.786 -2.326 1.00 0.00 O ATOM 1381 CB GLN A 96 -4.868 -2.209 -5.099 1.00 0.00 C ATOM 1382 CG GLN A 96 -6.111 -3.012 -4.711 1.00 0.00 C ATOM 1383 CD GLN A 96 -7.242 -2.793 -5.719 1.00 0.00 C ATOM 1384 OE1 GLN A 96 -8.208 -2.092 -5.464 1.00 0.00 O ATOM 1385 NE2 GLN A 96 -7.069 -3.429 -6.874 1.00 0.00 N ATOM 0 H GLN A 96 -2.343 -1.385 -4.137 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.148 -0.476 -3.891 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.078 -1.613 -5.987 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.057 -2.890 -5.356 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.863 -4.072 -4.662 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.443 -2.716 -3.716 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.237 -4.000 -7.022 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.768 -3.346 -7.612 1.00 0.00 H new ATOM 1394 N VAL A 97 -5.481 -1.822 -1.853 1.00 0.00 N ATOM 1395 CA VAL A 97 -5.612 -2.467 -0.558 1.00 0.00 C ATOM 1396 C VAL A 97 -6.940 -3.226 -0.503 1.00 0.00 C ATOM 1397 O VAL A 97 -7.817 -3.011 -1.338 1.00 0.00 O ATOM 1398 CB VAL A 97 -5.469 -1.432 0.559 1.00 0.00 C ATOM 1399 CG1 VAL A 97 -4.232 -0.559 0.342 1.00 0.00 C ATOM 1400 CG2 VAL A 97 -6.731 -0.576 0.679 1.00 0.00 C ATOM 0 H VAL A 97 -6.254 -1.206 -2.102 1.00 0.00 H new ATOM 0 HA VAL A 97 -4.814 -3.196 -0.412 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.339 -1.969 1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.154 0.168 1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.341 -1.187 0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.319 -0.036 -0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.602 0.151 1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.907 -0.053 -0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.585 -1.216 0.903 1.00 0.00 H new ATOM 1410 N LEU A 98 -7.045 -4.099 0.488 1.00 0.00 N ATOM 1411 CA LEU A 98 -8.251 -4.891 0.663 1.00 0.00 C ATOM 1412 C LEU A 98 -8.998 -4.407 1.907 1.00 0.00 C ATOM 1413 O LEU A 98 -8.554 -4.637 3.031 1.00 0.00 O ATOM 1414 CB LEU A 98 -7.912 -6.383 0.690 1.00 0.00 C ATOM 1415 CG LEU A 98 -8.246 -7.170 -0.579 1.00 0.00 C ATOM 1416 CD1 LEU A 98 -7.943 -6.345 -1.831 1.00 0.00 C ATOM 1417 CD2 LEU A 98 -7.526 -8.519 -0.593 1.00 0.00 C ATOM 0 H LEU A 98 -6.315 -4.275 1.178 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.923 -4.755 -0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.846 -6.489 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.440 -6.840 1.527 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.316 -7.377 -0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.189 -6.927 -2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.539 -5.433 -1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.884 -6.086 -1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.781 -9.058 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.449 -8.357 -0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.835 -9.105 0.273 1.00 0.00 H new ATOM 1429 N ARG A 99 -10.120 -3.746 1.664 1.00 0.00 N ATOM 1430 CA ARG A 99 -10.933 -3.227 2.751 1.00 0.00 C ATOM 1431 C ARG A 99 -12.317 -3.880 2.737 1.00 0.00 C ATOM 1432 O ARG A 99 -12.925 -4.031 1.679 1.00 0.00 O ATOM 1433 CB ARG A 99 -11.092 -1.709 2.645 1.00 0.00 C ATOM 1434 CG ARG A 99 -10.739 -1.027 3.968 1.00 0.00 C ATOM 1435 CD ARG A 99 -10.478 0.467 3.763 1.00 0.00 C ATOM 1436 NE ARG A 99 -9.021 0.724 3.713 1.00 0.00 N ATOM 1437 CZ ARG A 99 -8.173 0.434 4.709 1.00 0.00 C ATOM 1438 NH1 ARG A 99 -8.631 -0.124 5.838 1.00 0.00 N ATOM 1439 NH2 ARG A 99 -6.867 0.703 4.577 1.00 0.00 N ATOM 0 H ARG A 99 -10.485 -3.558 0.730 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.425 -3.463 3.686 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.449 -1.327 1.852 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.118 -1.466 2.369 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.553 -1.163 4.680 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.856 -1.498 4.400 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.947 0.803 2.838 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.929 1.038 4.575 1.00 0.00 H new ATOM 0 HE ARG A 99 -8.639 1.148 2.868 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.625 -0.328 5.939 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -7.985 -0.345 6.596 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -6.518 1.129 3.718 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -6.222 0.482 5.335 1.00 0.00 H new ATOM 1453 N ARG A 100 -12.774 -4.249 3.925 1.00 0.00 N ATOM 1454 CA ARG A 100 -14.075 -4.882 4.062 1.00 0.00 C ATOM 1455 C ARG A 100 -15.094 -4.205 3.145 1.00 0.00 C ATOM 1456 O ARG A 100 -16.048 -4.838 2.696 1.00 0.00 O ATOM 1457 CB ARG A 100 -14.572 -4.810 5.507 1.00 0.00 C ATOM 1458 CG ARG A 100 -14.632 -3.361 5.995 1.00 0.00 C ATOM 1459 CD ARG A 100 -13.554 -3.092 7.047 1.00 0.00 C ATOM 1460 NE ARG A 100 -12.973 -1.746 6.843 1.00 0.00 N ATOM 1461 CZ ARG A 100 -12.358 -1.041 7.802 1.00 0.00 C ATOM 1462 NH1 ARG A 100 -12.239 -1.549 9.036 1.00 0.00 N ATOM 1463 NH2 ARG A 100 -11.861 0.173 7.527 1.00 0.00 N ATOM 0 H ARG A 100 -12.267 -4.122 4.801 1.00 0.00 H new ATOM 0 HA ARG A 100 -13.966 -5.929 3.779 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -15.561 -5.263 5.578 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -13.910 -5.388 6.152 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -14.499 -2.684 5.151 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -15.616 -3.156 6.417 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -13.983 -3.164 8.046 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -12.772 -3.849 6.980 1.00 0.00 H new ATOM 0 HE ARG A 100 -13.045 -1.329 5.915 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -12.617 -2.473 9.246 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -11.771 -1.012 9.766 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -11.951 0.560 6.588 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -11.393 0.710 8.257 1.00 0.00 H new ATOM 1477 N THR A 101 -14.858 -2.926 2.892 1.00 0.00 N ATOM 1478 CA THR A 101 -15.744 -2.155 2.036 1.00 0.00 C ATOM 1479 C THR A 101 -15.175 -0.754 1.804 1.00 0.00 C ATOM 1480 O THR A 101 -15.113 -0.286 0.668 1.00 0.00 O ATOM 1481 CB THR A 101 -17.133 -2.149 2.677 1.00 0.00 C ATOM 1482 OG1 THR A 101 -17.880 -1.236 1.878 1.00 0.00 O ATOM 1483 CG2 THR A 101 -17.133 -1.511 4.068 1.00 0.00 C ATOM 0 H THR A 101 -14.065 -2.404 3.265 1.00 0.00 H new ATOM 0 HA THR A 101 -15.829 -2.605 1.047 1.00 0.00 H new ATOM 0 HB THR A 101 -17.505 -3.171 2.746 1.00 0.00 H new ATOM 0 HG1 THR A 101 -18.795 -1.172 2.223 1.00 0.00 H new ATOM 0 HG21 THR A 101 -18.143 -1.532 4.478 1.00 0.00 H new ATOM 0 HG22 THR A 101 -16.463 -2.068 4.724 1.00 0.00 H new ATOM 0 HG23 THR A 101 -16.793 -0.478 3.994 1.00 0.00 H new ATOM 1491 N SER A 102 -14.775 -0.123 2.898 1.00 0.00 N ATOM 1492 CA SER A 102 -14.214 1.215 2.827 1.00 0.00 C ATOM 1493 C SER A 102 -13.647 1.617 4.190 1.00 0.00 C ATOM 1494 O SER A 102 -13.619 0.810 5.118 1.00 0.00 O ATOM 1495 CB SER A 102 -15.263 2.229 2.368 1.00 0.00 C ATOM 1496 OG SER A 102 -16.382 2.275 3.250 1.00 0.00 O ATOM 0 H SER A 102 -14.828 -0.514 3.839 1.00 0.00 H new ATOM 0 HA SER A 102 -13.409 1.210 2.093 1.00 0.00 H new ATOM 0 HB2 SER A 102 -14.809 3.218 2.306 1.00 0.00 H new ATOM 0 HB3 SER A 102 -15.602 1.971 1.365 1.00 0.00 H new ATOM 0 HG SER A 102 -17.029 2.935 2.924 1.00 0.00 H new ATOM 1502 N GLY A 103 -13.210 2.866 4.269 1.00 0.00 N ATOM 1503 CA GLY A 103 -12.646 3.385 5.503 1.00 0.00 C ATOM 1504 C GLY A 103 -12.246 4.854 5.348 1.00 0.00 C ATOM 1505 O GLY A 103 -11.183 5.158 4.810 1.00 0.00 O ATOM 0 H GLY A 103 -13.235 3.533 3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -13.373 3.285 6.309 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.774 2.795 5.785 1.00 0.00 H new ATOM 1509 N PRO A 104 -13.144 5.748 5.841 1.00 0.00 N ATOM 1510 CA PRO A 104 -12.896 7.178 5.762 1.00 0.00 C ATOM 1511 C PRO A 104 -11.849 7.610 6.790 1.00 0.00 C ATOM 1512 O PRO A 104 -11.577 6.886 7.747 1.00 0.00 O ATOM 1513 CB PRO A 104 -14.252 7.826 5.988 1.00 0.00 C ATOM 1514 CG PRO A 104 -15.118 6.762 6.643 1.00 0.00 C ATOM 1515 CD PRO A 104 -14.414 5.424 6.484 1.00 0.00 C ATOM 0 HA PRO A 104 -12.480 7.480 4.801 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -14.163 8.705 6.626 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -14.688 8.159 5.046 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -15.270 6.990 7.698 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -16.103 6.732 6.178 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -14.258 4.942 7.449 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -15.002 4.737 5.876 1.00 0.00 H new ATOM 1523 N SER A 105 -11.288 8.788 6.558 1.00 0.00 N ATOM 1524 CA SER A 105 -10.277 9.325 7.452 1.00 0.00 C ATOM 1525 C SER A 105 -10.739 10.670 8.017 1.00 0.00 C ATOM 1526 O SER A 105 -10.858 10.829 9.231 1.00 0.00 O ATOM 1527 CB SER A 105 -8.935 9.484 6.734 1.00 0.00 C ATOM 1528 OG SER A 105 -7.953 10.095 7.566 1.00 0.00 O ATOM 0 H SER A 105 -11.515 9.386 5.763 1.00 0.00 H new ATOM 0 HA SER A 105 -10.138 8.622 8.273 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.579 8.506 6.411 1.00 0.00 H new ATOM 0 HB3 SER A 105 -9.074 10.085 5.835 1.00 0.00 H new ATOM 0 HG SER A 105 -7.111 10.177 7.072 1.00 0.00 H new ATOM 1534 N SER A 106 -10.986 11.603 7.111 1.00 0.00 N ATOM 1535 CA SER A 106 -11.433 12.929 7.504 1.00 0.00 C ATOM 1536 C SER A 106 -12.496 12.820 8.599 1.00 0.00 C ATOM 1537 O SER A 106 -13.200 11.815 8.688 1.00 0.00 O ATOM 1538 CB SER A 106 -11.984 13.703 6.305 1.00 0.00 C ATOM 1539 OG SER A 106 -13.290 13.265 5.941 1.00 0.00 O ATOM 0 H SER A 106 -10.885 11.468 6.105 1.00 0.00 H new ATOM 0 HA SER A 106 -10.575 13.477 7.893 1.00 0.00 H new ATOM 0 HB2 SER A 106 -12.011 14.767 6.542 1.00 0.00 H new ATOM 0 HB3 SER A 106 -11.311 13.583 5.456 1.00 0.00 H new ATOM 0 HG SER A 106 -13.607 13.785 5.173 1.00 0.00 H new ATOM 1545 N GLY A 107 -12.578 13.868 9.405 1.00 0.00 N ATOM 1546 CA GLY A 107 -13.543 13.902 10.491 1.00 0.00 C ATOM 1547 C GLY A 107 -13.100 13.004 11.648 1.00 0.00 C ATOM 1548 O GLY A 107 -11.931 12.630 11.735 1.00 0.00 O ATOM 0 H GLY A 107 -11.992 14.700 9.328 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.661 14.926 10.845 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.517 13.577 10.126 1.00 0.00 H new TER 1552 GLY A 107