USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 732 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 1 GLY N :NH3+ -156:sc= -1.64 (180deg=-2.73!) USER MOD Set 1.2: A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.239 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -98:sc= 1.07 USER MOD Single : A 28 SER OG : rot 160:sc= -0.692 USER MOD Single : A 29 THR OG1 : rot 88:sc= 0.936 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.532 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -7.37! C(o=-7.4!,f=-19!) USER MOD Single : A 65 ASN :FLIP amide:sc= -3.91! C(o=-4.7!,f=-3.9!) USER MOD Single : A 68 THR OG1 : rot -91:sc= 1.16 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00984 USER MOD Single : A 80 HIS : no HD1:sc= -16.4! C(o=-16!,f=-20!) USER MOD Single : A 82 ASN : amide:sc= -2.49 K(o=-2.5,f=-5.6!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.344 22.618 18.427 1.00 0.00 N ATOM 2 CA GLY A 1 -3.877 22.442 19.767 1.00 0.00 C ATOM 3 C GLY A 1 -4.407 21.020 19.964 1.00 0.00 C ATOM 4 O GLY A 1 -3.719 20.169 20.524 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.651 23.394 18.428 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.880 21.739 18.120 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.119 22.847 17.772 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.099 22.649 20.502 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.679 23.160 19.941 1.00 0.00 H new ATOM 8 N SER A 2 -5.627 20.808 19.493 1.00 0.00 N ATOM 9 CA SER A 2 -6.259 19.505 19.610 1.00 0.00 C ATOM 10 C SER A 2 -7.289 19.320 18.494 1.00 0.00 C ATOM 11 O SER A 2 -7.261 18.321 17.777 1.00 0.00 O ATOM 12 CB SER A 2 -6.921 19.334 20.978 1.00 0.00 C ATOM 13 OG SER A 2 -6.087 19.798 22.037 1.00 0.00 O ATOM 0 H SER A 2 -6.195 21.517 19.029 1.00 0.00 H new ATOM 0 HA SER A 2 -5.487 18.741 19.513 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.865 19.879 20.995 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.158 18.282 21.137 1.00 0.00 H new ATOM 0 HG SER A 2 -6.546 19.673 22.894 1.00 0.00 H new ATOM 19 N HIS A 3 -8.175 20.299 18.383 1.00 0.00 N ATOM 20 CA HIS A 3 -9.213 20.257 17.367 1.00 0.00 C ATOM 21 C HIS A 3 -8.571 20.177 15.981 1.00 0.00 C ATOM 22 O HIS A 3 -9.225 19.796 15.011 1.00 0.00 O ATOM 23 CB HIS A 3 -10.164 21.447 17.512 1.00 0.00 C ATOM 24 CG HIS A 3 -11.472 21.110 18.188 1.00 0.00 C ATOM 25 ND1 HIS A 3 -11.671 21.253 19.550 1.00 0.00 N ATOM 26 CD2 HIS A 3 -12.643 20.636 17.675 1.00 0.00 C ATOM 27 CE1 HIS A 3 -12.909 20.879 19.833 1.00 0.00 C ATOM 28 NE2 HIS A 3 -13.510 20.496 18.670 1.00 0.00 N ATOM 0 H HIS A 3 -8.195 21.126 18.980 1.00 0.00 H new ATOM 0 HA HIS A 3 -9.821 19.362 17.500 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -9.664 22.231 18.081 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -10.373 21.855 16.523 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -12.833 20.412 16.636 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -13.363 20.877 20.813 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -14.468 20.158 18.580 1.00 0.00 H new ATOM 36 N MET A 4 -7.298 20.541 15.931 1.00 0.00 N ATOM 37 CA MET A 4 -6.561 20.515 14.679 1.00 0.00 C ATOM 38 C MET A 4 -6.327 19.078 14.211 1.00 0.00 C ATOM 39 O MET A 4 -5.821 18.854 13.112 1.00 0.00 O ATOM 40 CB MET A 4 -5.214 21.217 14.866 1.00 0.00 C ATOM 41 CG MET A 4 -4.399 20.554 15.978 1.00 0.00 C ATOM 42 SD MET A 4 -3.111 19.541 15.270 1.00 0.00 S ATOM 43 CE MET A 4 -2.248 19.056 16.755 1.00 0.00 C ATOM 0 H MET A 4 -6.758 20.856 16.737 1.00 0.00 H new ATOM 0 HA MET A 4 -7.149 21.033 13.921 1.00 0.00 H new ATOM 0 HB2 MET A 4 -4.652 21.188 13.932 1.00 0.00 H new ATOM 0 HB3 MET A 4 -5.378 22.267 15.107 1.00 0.00 H new ATOM 0 HG2 MET A 4 -3.961 21.316 16.623 1.00 0.00 H new ATOM 0 HG3 MET A 4 -5.051 19.944 16.603 1.00 0.00 H new ATOM 0 HE1 MET A 4 -1.407 18.414 16.494 1.00 0.00 H new ATOM 0 HE2 MET A 4 -1.881 19.944 17.269 1.00 0.00 H new ATOM 0 HE3 MET A 4 -2.929 18.513 17.411 1.00 0.00 H new ATOM 53 N LEU A 5 -6.707 18.141 15.067 1.00 0.00 N ATOM 54 CA LEU A 5 -6.545 16.731 14.755 1.00 0.00 C ATOM 55 C LEU A 5 -6.897 16.495 13.284 1.00 0.00 C ATOM 56 O LEU A 5 -6.043 16.096 12.494 1.00 0.00 O ATOM 57 CB LEU A 5 -7.354 15.870 15.727 1.00 0.00 C ATOM 58 CG LEU A 5 -6.567 14.807 16.495 1.00 0.00 C ATOM 59 CD1 LEU A 5 -7.439 14.146 17.565 1.00 0.00 C ATOM 60 CD2 LEU A 5 -5.955 13.780 15.540 1.00 0.00 C ATOM 0 H LEU A 5 -7.127 18.331 15.977 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.506 16.429 14.887 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -7.837 16.528 16.449 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.147 15.373 15.168 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.742 15.299 17.010 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.856 13.394 18.096 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.785 14.902 18.270 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -8.298 13.671 17.092 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.401 13.036 16.112 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.749 13.288 14.977 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.279 14.283 14.849 1.00 0.00 H new ATOM 72 N ARG A 6 -8.156 16.753 12.962 1.00 0.00 N ATOM 73 CA ARG A 6 -8.632 16.574 11.601 1.00 0.00 C ATOM 74 C ARG A 6 -7.641 17.184 10.608 1.00 0.00 C ATOM 75 O ARG A 6 -7.142 16.495 9.720 1.00 0.00 O ATOM 76 CB ARG A 6 -10.003 17.223 11.407 1.00 0.00 C ATOM 77 CG ARG A 6 -10.809 16.492 10.332 1.00 0.00 C ATOM 78 CD ARG A 6 -12.288 16.410 10.716 1.00 0.00 C ATOM 79 NE ARG A 6 -12.605 15.057 11.225 1.00 0.00 N ATOM 80 CZ ARG A 6 -12.607 13.943 10.463 1.00 0.00 C ATOM 81 NH1 ARG A 6 -12.309 14.011 9.148 1.00 0.00 N ATOM 82 NH2 ARG A 6 -12.905 12.785 11.023 1.00 0.00 N ATOM 0 H ARG A 6 -8.861 17.085 13.620 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.721 15.503 11.419 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -10.551 17.211 12.349 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.878 18.268 11.125 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -10.705 17.011 9.379 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -10.409 15.487 10.193 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -12.516 17.156 11.477 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -12.910 16.637 9.850 1.00 0.00 H new ATOM 0 HE ARG A 6 -12.836 14.960 12.214 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -12.080 14.909 8.723 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -12.313 13.164 8.580 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -13.129 12.742 12.017 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -12.911 11.934 10.461 1.00 0.00 H new ATOM 95 N ASP A 7 -7.386 18.472 10.791 1.00 0.00 N ATOM 96 CA ASP A 7 -6.464 19.183 9.922 1.00 0.00 C ATOM 97 C ASP A 7 -5.235 18.308 9.665 1.00 0.00 C ATOM 98 O ASP A 7 -4.756 18.221 8.535 1.00 0.00 O ATOM 99 CB ASP A 7 -5.990 20.485 10.569 1.00 0.00 C ATOM 100 CG ASP A 7 -6.233 21.747 9.738 1.00 0.00 C ATOM 101 OD1 ASP A 7 -7.281 22.398 9.858 1.00 0.00 O ATOM 102 OD2 ASP A 7 -5.279 22.058 8.929 1.00 0.00 O ATOM 0 H ASP A 7 -7.802 19.041 11.528 1.00 0.00 H new ATOM 0 HA ASP A 7 -6.985 19.411 8.992 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.492 20.599 11.530 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.923 20.403 10.774 1.00 0.00 H new ATOM 108 N ARG A 8 -4.760 17.682 10.731 1.00 0.00 N ATOM 109 CA ARG A 8 -3.596 16.818 10.635 1.00 0.00 C ATOM 110 C ARG A 8 -3.925 15.576 9.805 1.00 0.00 C ATOM 111 O ARG A 8 -3.109 15.129 9.000 1.00 0.00 O ATOM 112 CB ARG A 8 -3.116 16.384 12.022 1.00 0.00 C ATOM 113 CG ARG A 8 -1.607 16.588 12.169 1.00 0.00 C ATOM 114 CD ARG A 8 -1.214 16.731 13.641 1.00 0.00 C ATOM 115 NE ARG A 8 -1.033 15.394 14.248 1.00 0.00 N ATOM 116 CZ ARG A 8 -0.278 15.155 15.341 1.00 0.00 C ATOM 117 NH1 ARG A 8 0.375 16.164 15.957 1.00 0.00 N ATOM 118 NH2 ARG A 8 -0.187 13.920 15.799 1.00 0.00 N ATOM 0 H ARG A 8 -5.160 17.756 11.666 1.00 0.00 H new ATOM 0 HA ARG A 8 -2.801 17.384 10.149 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -3.640 16.956 12.788 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -3.362 15.335 12.184 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.078 15.743 11.728 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.301 17.478 11.619 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -0.292 17.306 13.726 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.984 17.283 14.180 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.509 14.603 13.813 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.300 17.115 15.597 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.943 15.975 16.782 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -0.683 13.163 15.328 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.379 13.722 16.624 1.00 0.00 H new ATOM 131 N LEU A 9 -5.122 15.053 10.029 1.00 0.00 N ATOM 132 CA LEU A 9 -5.568 13.871 9.311 1.00 0.00 C ATOM 133 C LEU A 9 -5.497 14.136 7.806 1.00 0.00 C ATOM 134 O LEU A 9 -4.828 13.408 7.075 1.00 0.00 O ATOM 135 CB LEU A 9 -6.955 13.443 9.795 1.00 0.00 C ATOM 136 CG LEU A 9 -6.983 12.469 10.975 1.00 0.00 C ATOM 137 CD1 LEU A 9 -6.461 11.092 10.561 1.00 0.00 C ATOM 138 CD2 LEU A 9 -6.217 13.036 12.172 1.00 0.00 C ATOM 0 H LEU A 9 -5.796 15.426 10.697 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.908 13.028 9.518 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.512 14.337 10.074 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.484 12.985 8.959 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.019 12.340 11.288 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.491 10.419 11.418 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.085 10.691 9.762 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.434 11.183 10.208 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.252 12.324 12.997 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.179 13.213 11.889 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.673 13.976 12.484 1.00 0.00 H new ATOM 150 N ALA A 10 -6.196 15.182 7.388 1.00 0.00 N ATOM 151 CA ALA A 10 -6.220 15.552 5.983 1.00 0.00 C ATOM 152 C ALA A 10 -5.084 16.537 5.700 1.00 0.00 C ATOM 153 O ALA A 10 -5.119 17.262 4.707 1.00 0.00 O ATOM 154 CB ALA A 10 -7.593 16.128 5.630 1.00 0.00 C ATOM 0 H ALA A 10 -6.749 15.784 7.997 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.062 14.677 5.353 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.611 16.406 4.576 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.362 15.379 5.821 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.786 17.010 6.241 1.00 0.00 H new ATOM 160 N GLY A 11 -4.103 16.532 6.591 1.00 0.00 N ATOM 161 CA GLY A 11 -2.959 17.416 6.449 1.00 0.00 C ATOM 162 C GLY A 11 -1.675 16.617 6.213 1.00 0.00 C ATOM 163 O GLY A 11 -0.667 17.171 5.778 1.00 0.00 O ATOM 0 H GLY A 11 -4.077 15.930 7.414 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.124 18.100 5.616 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.852 18.026 7.346 1.00 0.00 H new ATOM 167 N LEU A 12 -1.755 15.329 6.510 1.00 0.00 N ATOM 168 CA LEU A 12 -0.612 14.449 6.336 1.00 0.00 C ATOM 169 C LEU A 12 -0.369 14.226 4.842 1.00 0.00 C ATOM 170 O LEU A 12 -1.287 14.356 4.034 1.00 0.00 O ATOM 171 CB LEU A 12 -0.807 13.154 7.127 1.00 0.00 C ATOM 172 CG LEU A 12 -0.676 13.270 8.647 1.00 0.00 C ATOM 173 CD1 LEU A 12 -1.734 12.423 9.355 1.00 0.00 C ATOM 174 CD2 LEU A 12 0.741 12.917 9.104 1.00 0.00 C ATOM 0 H LEU A 12 -2.593 14.873 6.870 1.00 0.00 H new ATOM 0 HA LEU A 12 0.289 14.910 6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.795 12.756 6.897 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.079 12.423 6.774 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.855 14.308 8.927 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.618 12.524 10.434 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.728 12.763 9.063 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.611 11.377 9.073 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.807 13.008 10.188 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.974 11.893 8.811 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.454 13.598 8.639 1.00 0.00 H new ATOM 186 N PRO A 13 0.906 13.885 4.511 1.00 0.00 N ATOM 187 CA PRO A 13 1.281 13.643 3.129 1.00 0.00 C ATOM 188 C PRO A 13 0.757 12.288 2.648 1.00 0.00 C ATOM 189 O PRO A 13 0.395 11.435 3.457 1.00 0.00 O ATOM 190 CB PRO A 13 2.798 13.733 3.111 1.00 0.00 C ATOM 191 CG PRO A 13 3.243 13.560 4.555 1.00 0.00 C ATOM 192 CD PRO A 13 2.019 13.722 5.442 1.00 0.00 C ATOM 0 HA PRO A 13 0.844 14.368 2.442 1.00 0.00 H new ATOM 0 HB2 PRO A 13 3.228 12.959 2.475 1.00 0.00 H new ATOM 0 HB3 PRO A 13 3.128 14.693 2.713 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.693 12.578 4.701 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.001 14.299 4.812 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.876 12.851 6.082 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.117 14.587 6.098 1.00 0.00 H new ATOM 200 N ARG A 14 0.734 12.132 1.332 1.00 0.00 N ATOM 201 CA ARG A 14 0.261 10.895 0.734 1.00 0.00 C ATOM 202 C ARG A 14 1.002 9.698 1.333 1.00 0.00 C ATOM 203 O ARG A 14 0.377 8.740 1.785 1.00 0.00 O ATOM 204 CB ARG A 14 0.462 10.904 -0.783 1.00 0.00 C ATOM 205 CG ARG A 14 -0.693 10.198 -1.494 1.00 0.00 C ATOM 206 CD ARG A 14 -0.246 9.640 -2.846 1.00 0.00 C ATOM 207 NE ARG A 14 -1.302 9.858 -3.859 1.00 0.00 N ATOM 208 CZ ARG A 14 -1.656 11.071 -4.335 1.00 0.00 C ATOM 209 NH1 ARG A 14 -1.038 12.187 -3.892 1.00 0.00 N ATOM 210 NH2 ARG A 14 -2.614 11.150 -5.239 1.00 0.00 N ATOM 0 H ARG A 14 1.035 12.841 0.664 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.805 10.810 0.947 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.537 11.932 -1.137 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.402 10.411 -1.032 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.069 9.388 -0.869 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.517 10.897 -1.639 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.677 10.126 -3.161 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.032 8.575 -2.756 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.794 9.041 -4.221 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.298 12.117 -3.193 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.311 13.100 -4.256 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.076 10.302 -5.568 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.893 12.059 -5.608 1.00 0.00 H new ATOM 223 N ALA A 15 2.323 9.792 1.315 1.00 0.00 N ATOM 224 CA ALA A 15 3.156 8.728 1.851 1.00 0.00 C ATOM 225 C ALA A 15 2.621 8.308 3.221 1.00 0.00 C ATOM 226 O ALA A 15 1.971 7.271 3.346 1.00 0.00 O ATOM 227 CB ALA A 15 4.610 9.201 1.913 1.00 0.00 C ATOM 0 H ALA A 15 2.838 10.588 0.938 1.00 0.00 H new ATOM 0 HA ALA A 15 3.125 7.852 1.203 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.235 8.404 2.315 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.952 9.460 0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.680 10.077 2.558 1.00 0.00 H new ATOM 233 N GLU A 16 2.913 9.135 4.214 1.00 0.00 N ATOM 234 CA GLU A 16 2.469 8.862 5.571 1.00 0.00 C ATOM 235 C GLU A 16 1.046 8.299 5.560 1.00 0.00 C ATOM 236 O GLU A 16 0.742 7.357 6.290 1.00 0.00 O ATOM 237 CB GLU A 16 2.556 10.118 6.439 1.00 0.00 C ATOM 238 CG GLU A 16 3.649 9.977 7.500 1.00 0.00 C ATOM 239 CD GLU A 16 3.163 9.131 8.679 1.00 0.00 C ATOM 240 OE1 GLU A 16 2.307 9.581 9.454 1.00 0.00 O ATOM 241 OE2 GLU A 16 3.708 7.965 8.775 1.00 0.00 O ATOM 0 H GLU A 16 3.452 9.994 4.106 1.00 0.00 H new ATOM 0 HA GLU A 16 3.131 8.114 6.006 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.763 10.985 5.811 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.596 10.297 6.923 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.533 9.517 7.058 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.946 10.964 7.854 1.00 0.00 H new ATOM 249 N ARG A 17 0.212 8.901 4.725 1.00 0.00 N ATOM 250 CA ARG A 17 -1.171 8.473 4.610 1.00 0.00 C ATOM 251 C ARG A 17 -1.238 7.004 4.185 1.00 0.00 C ATOM 252 O ARG A 17 -1.863 6.187 4.860 1.00 0.00 O ATOM 253 CB ARG A 17 -1.929 9.326 3.592 1.00 0.00 C ATOM 254 CG ARG A 17 -3.432 9.318 3.880 1.00 0.00 C ATOM 255 CD ARG A 17 -4.228 8.939 2.630 1.00 0.00 C ATOM 256 NE ARG A 17 -4.914 10.132 2.085 1.00 0.00 N ATOM 257 CZ ARG A 17 -4.354 10.993 1.209 1.00 0.00 C ATOM 258 NH1 ARG A 17 -3.092 10.800 0.770 1.00 0.00 N ATOM 259 NH2 ARG A 17 -5.058 12.027 0.789 1.00 0.00 N ATOM 0 H ARG A 17 0.468 9.682 4.121 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.638 8.594 5.587 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.555 10.350 3.620 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.746 8.947 2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.649 8.612 4.681 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.744 10.302 4.230 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.561 8.518 1.878 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.960 8.169 2.874 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.870 10.315 2.390 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.554 9.999 1.100 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.676 11.455 0.108 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.011 12.166 1.126 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.650 12.687 0.127 1.00 0.00 H new ATOM 272 N THR A 18 -0.586 6.714 3.069 1.00 0.00 N ATOM 273 CA THR A 18 -0.563 5.358 2.546 1.00 0.00 C ATOM 274 C THR A 18 0.081 4.408 3.557 1.00 0.00 C ATOM 275 O THR A 18 -0.448 3.331 3.827 1.00 0.00 O ATOM 276 CB THR A 18 0.152 5.385 1.194 1.00 0.00 C ATOM 277 OG1 THR A 18 -0.809 5.944 0.304 1.00 0.00 O ATOM 278 CG2 THR A 18 0.404 3.982 0.638 1.00 0.00 C ATOM 0 H THR A 18 -0.069 7.395 2.512 1.00 0.00 H new ATOM 0 HA THR A 18 -1.572 4.977 2.388 1.00 0.00 H new ATOM 0 HB THR A 18 1.101 5.911 1.295 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.427 6.000 -0.597 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.914 4.057 -0.323 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.026 3.420 1.335 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.547 3.467 0.504 1.00 0.00 H new ATOM 286 N ALA A 19 1.215 4.840 4.088 1.00 0.00 N ATOM 287 CA ALA A 19 1.938 4.041 5.063 1.00 0.00 C ATOM 288 C ALA A 19 1.106 3.929 6.342 1.00 0.00 C ATOM 289 O ALA A 19 1.348 3.052 7.169 1.00 0.00 O ATOM 290 CB ALA A 19 3.313 4.663 5.314 1.00 0.00 C ATOM 0 H ALA A 19 1.651 5.734 3.861 1.00 0.00 H new ATOM 0 HA ALA A 19 2.101 3.031 4.687 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.855 4.064 6.045 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.875 4.692 4.380 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.190 5.677 5.695 1.00 0.00 H new ATOM 296 N GLU A 20 0.143 4.831 6.464 1.00 0.00 N ATOM 297 CA GLU A 20 -0.726 4.845 7.628 1.00 0.00 C ATOM 298 C GLU A 20 -1.922 3.916 7.409 1.00 0.00 C ATOM 299 O GLU A 20 -2.155 3.001 8.196 1.00 0.00 O ATOM 300 CB GLU A 20 -1.188 6.267 7.951 1.00 0.00 C ATOM 301 CG GLU A 20 -2.266 6.260 9.037 1.00 0.00 C ATOM 302 CD GLU A 20 -2.088 7.441 9.994 1.00 0.00 C ATOM 303 OE1 GLU A 20 -1.345 7.332 10.981 1.00 0.00 O ATOM 304 OE2 GLU A 20 -2.753 8.501 9.682 1.00 0.00 O ATOM 0 H GLU A 20 -0.054 5.557 5.776 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.159 4.480 8.484 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.338 6.863 8.282 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.578 6.740 7.050 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.252 6.307 8.576 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.219 5.325 9.595 1.00 0.00 H new ATOM 312 N LEU A 21 -2.649 4.184 6.334 1.00 0.00 N ATOM 313 CA LEU A 21 -3.815 3.384 6.001 1.00 0.00 C ATOM 314 C LEU A 21 -3.397 1.921 5.842 1.00 0.00 C ATOM 315 O LEU A 21 -4.116 1.017 6.263 1.00 0.00 O ATOM 316 CB LEU A 21 -4.525 3.957 4.772 1.00 0.00 C ATOM 317 CG LEU A 21 -5.931 4.514 5.009 1.00 0.00 C ATOM 318 CD1 LEU A 21 -5.927 6.044 4.980 1.00 0.00 C ATOM 319 CD2 LEU A 21 -6.929 3.925 4.010 1.00 0.00 C ATOM 0 H LEU A 21 -2.453 4.944 5.683 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.545 3.421 6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.906 4.752 4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.588 3.175 4.016 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.255 4.212 6.005 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.938 6.414 5.151 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.266 6.421 5.760 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.574 6.389 4.008 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.920 4.337 4.200 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.620 4.177 2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.959 2.841 4.122 1.00 0.00 H new ATOM 331 N VAL A 22 -2.234 1.734 5.234 1.00 0.00 N ATOM 332 CA VAL A 22 -1.711 0.397 5.014 1.00 0.00 C ATOM 333 C VAL A 22 -1.663 -0.352 6.348 1.00 0.00 C ATOM 334 O VAL A 22 -2.329 -1.373 6.515 1.00 0.00 O ATOM 335 CB VAL A 22 -0.349 0.475 4.322 1.00 0.00 C ATOM 336 CG1 VAL A 22 0.437 -0.825 4.510 1.00 0.00 C ATOM 337 CG2 VAL A 22 -0.506 0.811 2.838 1.00 0.00 C ATOM 0 H VAL A 22 -1.640 2.487 4.887 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.366 -0.165 4.349 1.00 0.00 H new ATOM 0 HB VAL A 22 0.218 1.280 4.789 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.401 -0.743 4.008 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.595 -1.004 5.574 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.125 -1.655 4.082 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.477 0.860 2.370 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.101 0.039 2.351 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.006 1.774 2.734 1.00 0.00 H new ATOM 347 N ARG A 23 -0.867 0.183 7.262 1.00 0.00 N ATOM 348 CA ARG A 23 -0.723 -0.422 8.575 1.00 0.00 C ATOM 349 C ARG A 23 -2.095 -0.793 9.142 1.00 0.00 C ATOM 350 O ARG A 23 -2.265 -1.873 9.707 1.00 0.00 O ATOM 351 CB ARG A 23 -0.019 0.529 9.545 1.00 0.00 C ATOM 352 CG ARG A 23 1.292 -0.077 10.052 1.00 0.00 C ATOM 353 CD ARG A 23 2.440 0.929 9.940 1.00 0.00 C ATOM 354 NE ARG A 23 3.733 0.213 9.859 1.00 0.00 N ATOM 355 CZ ARG A 23 4.877 0.766 9.403 1.00 0.00 C ATOM 356 NH1 ARG A 23 4.898 2.049 8.983 1.00 0.00 N ATOM 357 NH2 ARG A 23 5.975 0.034 9.375 1.00 0.00 N ATOM 0 H ARG A 23 -0.315 1.029 7.119 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.118 -1.321 8.461 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.183 1.478 9.048 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.675 0.745 10.389 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.176 -0.388 11.090 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.530 -0.972 9.476 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.304 1.552 9.056 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.437 1.595 10.803 1.00 0.00 H new ATOM 0 HE ARG A 23 3.761 -0.759 10.167 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.045 2.608 9.009 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.767 2.459 8.640 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.951 -0.934 9.695 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.848 0.437 9.033 1.00 0.00 H new ATOM 370 N LEU A 24 -3.038 0.122 8.971 1.00 0.00 N ATOM 371 CA LEU A 24 -4.389 -0.097 9.459 1.00 0.00 C ATOM 372 C LEU A 24 -5.043 -1.219 8.650 1.00 0.00 C ATOM 373 O LEU A 24 -5.602 -2.155 9.220 1.00 0.00 O ATOM 374 CB LEU A 24 -5.181 1.212 9.447 1.00 0.00 C ATOM 375 CG LEU A 24 -6.702 1.077 9.535 1.00 0.00 C ATOM 376 CD1 LEU A 24 -7.320 2.283 10.244 1.00 0.00 C ATOM 377 CD2 LEU A 24 -7.314 0.851 8.151 1.00 0.00 C ATOM 0 H LEU A 24 -2.893 1.016 8.502 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.371 -0.422 10.499 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.842 1.826 10.281 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.937 1.753 8.533 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.932 0.197 10.136 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.402 2.161 10.293 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.917 2.357 11.254 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.082 3.192 9.691 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.396 0.758 8.242 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.075 1.696 7.505 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.907 -0.063 7.718 1.00 0.00 H new ATOM 389 N VAL A 25 -4.953 -1.087 7.335 1.00 0.00 N ATOM 390 CA VAL A 25 -5.529 -2.078 6.442 1.00 0.00 C ATOM 391 C VAL A 25 -5.015 -3.466 6.828 1.00 0.00 C ATOM 392 O VAL A 25 -5.789 -4.418 6.911 1.00 0.00 O ATOM 393 CB VAL A 25 -5.227 -1.711 4.988 1.00 0.00 C ATOM 394 CG1 VAL A 25 -5.378 -2.928 4.073 1.00 0.00 C ATOM 395 CG2 VAL A 25 -6.114 -0.557 4.517 1.00 0.00 C ATOM 0 H VAL A 25 -4.490 -0.309 6.866 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.614 -2.095 6.540 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.190 -1.378 4.935 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.158 -2.640 3.045 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.685 -3.708 4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.399 -3.304 4.133 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.878 -0.317 3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.161 -0.849 4.593 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.935 0.318 5.142 1.00 0.00 H new ATOM 405 N ARG A 26 -3.711 -3.537 7.054 1.00 0.00 N ATOM 406 CA ARG A 26 -3.084 -4.793 7.429 1.00 0.00 C ATOM 407 C ARG A 26 -3.750 -5.366 8.682 1.00 0.00 C ATOM 408 O ARG A 26 -4.371 -6.426 8.629 1.00 0.00 O ATOM 409 CB ARG A 26 -1.589 -4.604 7.695 1.00 0.00 C ATOM 410 CG ARG A 26 -0.777 -4.773 6.409 1.00 0.00 C ATOM 411 CD ARG A 26 0.689 -5.080 6.723 1.00 0.00 C ATOM 412 NE ARG A 26 1.476 -3.827 6.741 1.00 0.00 N ATOM 413 CZ ARG A 26 2.744 -3.736 7.195 1.00 0.00 C ATOM 414 NH1 ARG A 26 3.380 -4.826 7.673 1.00 0.00 N ATOM 415 NH2 ARG A 26 3.352 -2.565 7.164 1.00 0.00 N ATOM 0 H ARG A 26 -3.072 -2.745 6.985 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.209 -5.487 6.598 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.413 -3.613 8.113 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.254 -5.327 8.438 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.201 -5.579 5.810 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.842 -3.864 5.811 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.766 -5.581 7.688 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.094 -5.763 5.976 1.00 0.00 H new ATOM 0 HE ARG A 26 1.033 -2.979 6.388 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.903 -5.727 7.693 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.338 -4.749 8.014 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.864 -1.746 6.801 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.310 -2.479 7.503 1.00 0.00 H new ATOM 428 N THR A 27 -3.598 -4.639 9.779 1.00 0.00 N ATOM 429 CA THR A 27 -4.177 -5.061 11.043 1.00 0.00 C ATOM 430 C THR A 27 -5.678 -5.312 10.884 1.00 0.00 C ATOM 431 O THR A 27 -6.194 -6.326 11.352 1.00 0.00 O ATOM 432 CB THR A 27 -3.846 -3.998 12.093 1.00 0.00 C ATOM 433 OG1 THR A 27 -3.933 -2.767 11.380 1.00 0.00 O ATOM 434 CG2 THR A 27 -2.388 -4.062 12.551 1.00 0.00 C ATOM 0 H THR A 27 -3.082 -3.760 9.819 1.00 0.00 H new ATOM 0 HA THR A 27 -3.754 -6.009 11.375 1.00 0.00 H new ATOM 0 HB THR A 27 -4.502 -4.122 12.954 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.035 -2.480 11.112 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.206 -3.287 13.296 1.00 0.00 H new ATOM 0 HG22 THR A 27 -2.187 -5.040 12.988 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.731 -3.905 11.696 1.00 0.00 H new ATOM 442 N SER A 28 -6.336 -4.372 10.223 1.00 0.00 N ATOM 443 CA SER A 28 -7.767 -4.478 9.997 1.00 0.00 C ATOM 444 C SER A 28 -8.081 -5.762 9.225 1.00 0.00 C ATOM 445 O SER A 28 -8.921 -6.555 9.648 1.00 0.00 O ATOM 446 CB SER A 28 -8.297 -3.260 9.238 1.00 0.00 C ATOM 447 OG SER A 28 -9.651 -3.433 8.829 1.00 0.00 O ATOM 0 H SER A 28 -5.904 -3.533 9.836 1.00 0.00 H new ATOM 0 HA SER A 28 -8.264 -4.513 10.966 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.220 -2.376 9.872 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.674 -3.080 8.362 1.00 0.00 H new ATOM 0 HG SER A 28 -10.052 -2.558 8.645 1.00 0.00 H new ATOM 453 N THR A 29 -7.390 -5.926 8.107 1.00 0.00 N ATOM 454 CA THR A 29 -7.584 -7.100 7.273 1.00 0.00 C ATOM 455 C THR A 29 -7.527 -8.372 8.120 1.00 0.00 C ATOM 456 O THR A 29 -8.475 -9.156 8.134 1.00 0.00 O ATOM 457 CB THR A 29 -6.538 -7.065 6.157 1.00 0.00 C ATOM 458 OG1 THR A 29 -6.883 -5.913 5.393 1.00 0.00 O ATOM 459 CG2 THR A 29 -6.693 -8.226 5.173 1.00 0.00 C ATOM 0 H THR A 29 -6.695 -5.266 7.759 1.00 0.00 H new ATOM 0 HA THR A 29 -8.572 -7.099 6.812 1.00 0.00 H new ATOM 0 HB THR A 29 -5.540 -7.091 6.594 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.437 -5.126 5.769 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.926 -8.154 4.401 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.584 -9.171 5.705 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.679 -8.182 4.710 1.00 0.00 H new ATOM 467 N ALA A 30 -6.407 -8.537 8.807 1.00 0.00 N ATOM 468 CA ALA A 30 -6.213 -9.701 9.656 1.00 0.00 C ATOM 469 C ALA A 30 -7.306 -9.733 10.726 1.00 0.00 C ATOM 470 O ALA A 30 -7.693 -10.805 11.191 1.00 0.00 O ATOM 471 CB ALA A 30 -4.808 -9.666 10.259 1.00 0.00 C ATOM 0 H ALA A 30 -5.624 -7.884 8.793 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.294 -10.619 9.073 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.663 -10.539 10.895 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.068 -9.674 9.459 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.690 -8.760 10.853 1.00 0.00 H new ATOM 477 N THR A 31 -7.774 -8.547 11.085 1.00 0.00 N ATOM 478 CA THR A 31 -8.815 -8.426 12.092 1.00 0.00 C ATOM 479 C THR A 31 -10.119 -9.047 11.588 1.00 0.00 C ATOM 480 O THR A 31 -10.852 -9.669 12.355 1.00 0.00 O ATOM 481 CB THR A 31 -8.948 -6.947 12.459 1.00 0.00 C ATOM 482 OG1 THR A 31 -8.554 -6.891 13.827 1.00 0.00 O ATOM 483 CG2 THR A 31 -10.404 -6.476 12.471 1.00 0.00 C ATOM 0 H THR A 31 -7.452 -7.661 10.697 1.00 0.00 H new ATOM 0 HA THR A 31 -8.557 -8.978 12.996 1.00 0.00 H new ATOM 0 HB THR A 31 -8.377 -6.345 11.752 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.609 -5.966 14.146 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.443 -5.420 12.737 1.00 0.00 H new ATOM 0 HG22 THR A 31 -10.840 -6.617 11.482 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.968 -7.055 13.202 1.00 0.00 H new ATOM 491 N VAL A 32 -10.369 -8.857 10.301 1.00 0.00 N ATOM 492 CA VAL A 32 -11.572 -9.391 9.685 1.00 0.00 C ATOM 493 C VAL A 32 -11.613 -10.907 9.887 1.00 0.00 C ATOM 494 O VAL A 32 -12.689 -11.495 9.984 1.00 0.00 O ATOM 495 CB VAL A 32 -11.632 -8.982 8.212 1.00 0.00 C ATOM 496 CG1 VAL A 32 -11.216 -10.141 7.304 1.00 0.00 C ATOM 497 CG2 VAL A 32 -13.024 -8.468 7.842 1.00 0.00 C ATOM 0 H VAL A 32 -9.759 -8.341 9.667 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.461 -8.976 10.160 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.924 -8.167 8.061 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.267 -9.824 6.262 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -10.196 -10.441 7.542 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.888 -10.985 7.460 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -13.039 -8.184 6.790 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -13.760 -9.253 8.017 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -13.266 -7.600 8.455 1.00 0.00 H new ATOM 507 N LEU A 33 -10.428 -11.497 9.943 1.00 0.00 N ATOM 508 CA LEU A 33 -10.314 -12.933 10.131 1.00 0.00 C ATOM 509 C LEU A 33 -10.623 -13.278 11.589 1.00 0.00 C ATOM 510 O LEU A 33 -10.864 -14.439 11.919 1.00 0.00 O ATOM 511 CB LEU A 33 -8.947 -13.430 9.658 1.00 0.00 C ATOM 512 CG LEU A 33 -8.824 -13.732 8.163 1.00 0.00 C ATOM 513 CD1 LEU A 33 -10.020 -14.547 7.668 1.00 0.00 C ATOM 514 CD2 LEU A 33 -8.633 -12.446 7.357 1.00 0.00 C ATOM 0 H LEU A 33 -9.538 -11.006 9.861 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.047 -13.456 9.517 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.200 -12.681 9.920 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.700 -14.335 10.213 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.934 -14.342 8.010 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.908 -14.748 6.603 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.068 -15.490 8.212 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.938 -13.984 7.836 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.548 -12.690 6.298 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.489 -11.789 7.511 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.725 -11.941 7.687 1.00 0.00 H new ATOM 526 N GLY A 34 -10.605 -12.249 12.424 1.00 0.00 N ATOM 527 CA GLY A 34 -10.880 -12.429 13.839 1.00 0.00 C ATOM 528 C GLY A 34 -9.599 -12.759 14.609 1.00 0.00 C ATOM 529 O GLY A 34 -9.592 -13.652 15.455 1.00 0.00 O ATOM 0 H GLY A 34 -10.404 -11.288 12.147 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.329 -11.522 14.244 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.606 -13.231 13.973 1.00 0.00 H new ATOM 533 N HIS A 35 -8.547 -12.021 14.288 1.00 0.00 N ATOM 534 CA HIS A 35 -7.264 -12.224 14.938 1.00 0.00 C ATOM 535 C HIS A 35 -6.396 -10.976 14.763 1.00 0.00 C ATOM 536 O HIS A 35 -6.370 -10.380 13.687 1.00 0.00 O ATOM 537 CB HIS A 35 -6.587 -13.494 14.419 1.00 0.00 C ATOM 538 CG HIS A 35 -6.308 -14.522 15.489 1.00 0.00 C ATOM 539 ND1 HIS A 35 -5.058 -14.693 16.057 1.00 0.00 N ATOM 540 CD2 HIS A 35 -7.131 -15.430 16.088 1.00 0.00 C ATOM 541 CE1 HIS A 35 -5.136 -15.664 16.956 1.00 0.00 C ATOM 542 NE2 HIS A 35 -6.421 -16.120 16.974 1.00 0.00 N ATOM 0 H HIS A 35 -8.557 -11.281 13.586 1.00 0.00 H new ATOM 0 HA HIS A 35 -7.414 -12.373 16.007 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.219 -13.944 13.654 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -5.648 -13.222 13.937 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.182 -15.565 15.878 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.324 -16.030 17.567 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.778 -16.867 17.569 1.00 0.00 H new ATOM 550 N ASP A 36 -5.708 -10.617 15.837 1.00 0.00 N ATOM 551 CA ASP A 36 -4.842 -9.451 15.816 1.00 0.00 C ATOM 552 C ASP A 36 -3.395 -9.900 15.603 1.00 0.00 C ATOM 553 O ASP A 36 -2.558 -9.753 16.492 1.00 0.00 O ATOM 554 CB ASP A 36 -4.910 -8.690 17.141 1.00 0.00 C ATOM 555 CG ASP A 36 -6.011 -7.630 17.222 1.00 0.00 C ATOM 556 OD1 ASP A 36 -5.836 -6.574 17.848 1.00 0.00 O ATOM 557 OD2 ASP A 36 -7.101 -7.928 16.600 1.00 0.00 O ATOM 0 H ASP A 36 -5.733 -11.114 16.728 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.174 -8.799 15.008 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.057 -9.408 17.948 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.948 -8.207 17.315 1.00 0.00 H new ATOM 563 N ASP A 37 -3.144 -10.437 14.418 1.00 0.00 N ATOM 564 CA ASP A 37 -1.812 -10.908 14.076 1.00 0.00 C ATOM 565 C ASP A 37 -1.434 -10.392 12.687 1.00 0.00 C ATOM 566 O ASP A 37 -1.871 -10.941 11.676 1.00 0.00 O ATOM 567 CB ASP A 37 -1.761 -12.437 14.043 1.00 0.00 C ATOM 568 CG ASP A 37 -0.509 -13.027 13.391 1.00 0.00 C ATOM 569 OD1 ASP A 37 0.592 -12.974 13.958 1.00 0.00 O ATOM 570 OD2 ASP A 37 -0.700 -13.568 12.235 1.00 0.00 O ATOM 0 H ASP A 37 -3.840 -10.557 13.682 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.119 -10.540 14.833 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.831 -12.810 15.065 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.638 -12.804 13.509 1.00 0.00 H new ATOM 576 N PRO A 38 -0.605 -9.314 12.680 1.00 0.00 N ATOM 577 CA PRO A 38 -0.164 -8.717 11.431 1.00 0.00 C ATOM 578 C PRO A 38 0.901 -9.584 10.756 1.00 0.00 C ATOM 579 O PRO A 38 1.206 -9.396 9.579 1.00 0.00 O ATOM 580 CB PRO A 38 0.348 -7.338 11.813 1.00 0.00 C ATOM 581 CG PRO A 38 0.605 -7.389 13.310 1.00 0.00 C ATOM 582 CD PRO A 38 -0.068 -8.637 13.857 1.00 0.00 C ATOM 0 HA PRO A 38 -0.965 -8.640 10.696 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.260 -7.095 11.268 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.384 -6.568 11.568 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.676 -7.413 13.513 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.208 -6.498 13.796 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.643 -9.270 14.388 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.859 -8.383 14.563 1.00 0.00 H new ATOM 590 N LYS A 39 1.438 -10.516 11.530 1.00 0.00 N ATOM 591 CA LYS A 39 2.462 -11.413 11.021 1.00 0.00 C ATOM 592 C LYS A 39 1.867 -12.284 9.914 1.00 0.00 C ATOM 593 O LYS A 39 2.598 -12.952 9.184 1.00 0.00 O ATOM 594 CB LYS A 39 3.089 -12.214 12.164 1.00 0.00 C ATOM 595 CG LYS A 39 4.493 -11.699 12.489 1.00 0.00 C ATOM 596 CD LYS A 39 5.254 -12.698 13.364 1.00 0.00 C ATOM 597 CE LYS A 39 6.762 -12.448 13.296 1.00 0.00 C ATOM 598 NZ LYS A 39 7.506 -13.712 13.490 1.00 0.00 N ATOM 0 H LYS A 39 1.183 -10.669 12.506 1.00 0.00 H new ATOM 0 HA LYS A 39 3.278 -10.845 10.575 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.458 -12.145 13.050 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.139 -13.268 11.890 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.044 -11.526 11.565 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.423 -10.740 13.002 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.914 -12.615 14.396 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.035 -13.714 13.037 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.021 -12.011 12.332 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.052 -11.727 14.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.528 -13.524 13.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.272 -14.113 14.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.242 -14.388 12.745 1.00 0.00 H new ATOM 611 N ALA A 40 0.546 -12.249 9.823 1.00 0.00 N ATOM 612 CA ALA A 40 -0.156 -13.028 8.817 1.00 0.00 C ATOM 613 C ALA A 40 -0.511 -12.124 7.634 1.00 0.00 C ATOM 614 O ALA A 40 -1.492 -12.368 6.934 1.00 0.00 O ATOM 615 CB ALA A 40 -1.391 -13.679 9.444 1.00 0.00 C ATOM 0 H ALA A 40 -0.057 -11.693 10.430 1.00 0.00 H new ATOM 0 HA ALA A 40 0.479 -13.830 8.441 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.917 -14.263 8.689 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.083 -14.333 10.260 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.054 -12.905 9.831 1.00 0.00 H new ATOM 621 N VAL A 41 0.308 -11.099 7.448 1.00 0.00 N ATOM 622 CA VAL A 41 0.093 -10.157 6.363 1.00 0.00 C ATOM 623 C VAL A 41 1.370 -9.346 6.137 1.00 0.00 C ATOM 624 O VAL A 41 2.118 -9.084 7.078 1.00 0.00 O ATOM 625 CB VAL A 41 -1.126 -9.283 6.662 1.00 0.00 C ATOM 626 CG1 VAL A 41 -0.761 -8.141 7.613 1.00 0.00 C ATOM 627 CG2 VAL A 41 -1.746 -8.745 5.371 1.00 0.00 C ATOM 0 H VAL A 41 1.121 -10.900 8.030 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.124 -10.686 5.435 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.872 -9.906 7.156 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.645 -7.535 7.810 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.388 -8.553 8.551 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.011 -7.521 7.157 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.611 -8.127 5.613 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.010 -8.145 4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.060 -9.579 4.743 1.00 0.00 H new ATOM 637 N ARG A 42 1.581 -8.971 4.884 1.00 0.00 N ATOM 638 CA ARG A 42 2.754 -8.194 4.522 1.00 0.00 C ATOM 639 C ARG A 42 2.377 -7.091 3.531 1.00 0.00 C ATOM 640 O ARG A 42 3.226 -6.605 2.786 1.00 0.00 O ATOM 641 CB ARG A 42 3.832 -9.083 3.899 1.00 0.00 C ATOM 642 CG ARG A 42 5.003 -9.284 4.864 1.00 0.00 C ATOM 643 CD ARG A 42 6.033 -10.254 4.281 1.00 0.00 C ATOM 644 NE ARG A 42 6.793 -9.593 3.196 1.00 0.00 N ATOM 645 CZ ARG A 42 7.667 -10.230 2.388 1.00 0.00 C ATOM 646 NH1 ARG A 42 7.899 -11.552 2.536 1.00 0.00 N ATOM 647 NH2 ARG A 42 8.291 -9.541 1.451 1.00 0.00 N ATOM 0 H ARG A 42 0.959 -9.191 4.106 1.00 0.00 H new ATOM 0 HA ARG A 42 3.149 -7.747 5.434 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.403 -10.050 3.635 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.191 -8.631 2.975 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.478 -8.325 5.071 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.634 -9.668 5.815 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.715 -10.587 5.063 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.532 -11.142 3.896 1.00 0.00 H new ATOM 0 HE ARG A 42 6.647 -8.594 3.050 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.412 -12.077 3.263 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.561 -12.026 1.921 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.110 -8.543 1.346 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.955 -10.007 0.832 1.00 0.00 H new ATOM 660 N ALA A 43 1.103 -6.729 3.556 1.00 0.00 N ATOM 661 CA ALA A 43 0.603 -5.692 2.669 1.00 0.00 C ATOM 662 C ALA A 43 0.396 -6.279 1.271 1.00 0.00 C ATOM 663 O ALA A 43 -0.694 -6.183 0.708 1.00 0.00 O ATOM 664 CB ALA A 43 1.573 -4.509 2.667 1.00 0.00 C ATOM 0 H ALA A 43 0.402 -7.135 4.176 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.361 -5.322 3.017 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.197 -3.732 2.002 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.662 -4.110 3.677 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.552 -4.841 2.321 1.00 0.00 H new ATOM 670 N THR A 44 1.459 -6.874 0.751 1.00 0.00 N ATOM 671 CA THR A 44 1.408 -7.476 -0.570 1.00 0.00 C ATOM 672 C THR A 44 1.058 -8.962 -0.466 1.00 0.00 C ATOM 673 O THR A 44 1.611 -9.786 -1.192 1.00 0.00 O ATOM 674 CB THR A 44 2.748 -7.215 -1.261 1.00 0.00 C ATOM 675 OG1 THR A 44 3.022 -5.845 -0.982 1.00 0.00 O ATOM 676 CG2 THR A 44 2.642 -7.271 -2.786 1.00 0.00 C ATOM 0 H THR A 44 2.361 -6.952 1.221 1.00 0.00 H new ATOM 0 HA THR A 44 0.620 -7.030 -1.177 1.00 0.00 H new ATOM 0 HB THR A 44 3.480 -7.948 -0.921 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.875 -5.592 -1.392 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.621 -7.079 -3.226 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.295 -8.258 -3.091 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.935 -6.516 -3.130 1.00 0.00 H new ATOM 684 N THR A 45 0.140 -9.258 0.443 1.00 0.00 N ATOM 685 CA THR A 45 -0.290 -10.630 0.651 1.00 0.00 C ATOM 686 C THR A 45 -1.566 -10.915 -0.144 1.00 0.00 C ATOM 687 O THR A 45 -2.285 -9.992 -0.523 1.00 0.00 O ATOM 688 CB THR A 45 -0.452 -10.851 2.157 1.00 0.00 C ATOM 689 OG1 THR A 45 0.310 -12.026 2.418 1.00 0.00 O ATOM 690 CG2 THR A 45 -1.880 -11.240 2.542 1.00 0.00 C ATOM 0 H THR A 45 -0.317 -8.572 1.043 1.00 0.00 H new ATOM 0 HA THR A 45 0.452 -11.337 0.281 1.00 0.00 H new ATOM 0 HB THR A 45 -0.168 -9.944 2.690 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.262 -12.242 3.373 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.939 -11.385 3.621 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.566 -10.447 2.244 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.154 -12.166 2.036 1.00 0.00 H new ATOM 698 N PRO A 46 -1.813 -12.231 -0.381 1.00 0.00 N ATOM 699 CA PRO A 46 -2.989 -12.650 -1.125 1.00 0.00 C ATOM 700 C PRO A 46 -4.251 -12.531 -0.268 1.00 0.00 C ATOM 701 O PRO A 46 -4.438 -13.295 0.678 1.00 0.00 O ATOM 702 CB PRO A 46 -2.695 -14.078 -1.554 1.00 0.00 C ATOM 703 CG PRO A 46 -1.576 -14.564 -0.647 1.00 0.00 C ATOM 704 CD PRO A 46 -0.983 -13.352 0.053 1.00 0.00 C ATOM 0 HA PRO A 46 -3.184 -12.020 -1.993 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.580 -14.706 -1.453 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.394 -14.117 -2.601 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.959 -15.277 0.083 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.812 -15.081 -1.227 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.009 -13.468 1.136 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.060 -13.204 -0.227 1.00 0.00 H new ATOM 712 N PHE A 47 -5.085 -11.566 -0.630 1.00 0.00 N ATOM 713 CA PHE A 47 -6.323 -11.337 0.094 1.00 0.00 C ATOM 714 C PHE A 47 -7.205 -12.588 0.080 1.00 0.00 C ATOM 715 O PHE A 47 -7.754 -12.975 1.111 1.00 0.00 O ATOM 716 CB PHE A 47 -7.057 -10.203 -0.624 1.00 0.00 C ATOM 717 CG PHE A 47 -7.799 -10.642 -1.888 1.00 0.00 C ATOM 718 CD1 PHE A 47 -9.005 -11.262 -1.787 1.00 0.00 C ATOM 719 CD2 PHE A 47 -7.253 -10.413 -3.112 1.00 0.00 C ATOM 720 CE1 PHE A 47 -9.694 -11.671 -2.960 1.00 0.00 C ATOM 721 CE2 PHE A 47 -7.941 -10.821 -4.285 1.00 0.00 C ATOM 722 CZ PHE A 47 -9.147 -11.441 -4.184 1.00 0.00 C ATOM 0 H PHE A 47 -4.927 -10.934 -1.415 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.107 -11.089 1.133 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.771 -9.752 0.066 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.337 -9.429 -0.889 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.439 -11.443 -0.815 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.295 -9.920 -3.192 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.651 -12.164 -2.880 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.507 -10.639 -5.257 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.671 -11.751 -5.076 1.00 0.00 H new ATOM 732 N LYS A 48 -7.314 -13.184 -1.098 1.00 0.00 N ATOM 733 CA LYS A 48 -8.120 -14.382 -1.259 1.00 0.00 C ATOM 734 C LYS A 48 -7.689 -15.424 -0.225 1.00 0.00 C ATOM 735 O LYS A 48 -8.528 -16.099 0.368 1.00 0.00 O ATOM 736 CB LYS A 48 -8.052 -14.883 -2.703 1.00 0.00 C ATOM 737 CG LYS A 48 -8.989 -16.074 -2.914 1.00 0.00 C ATOM 738 CD LYS A 48 -10.172 -15.691 -3.805 1.00 0.00 C ATOM 739 CE LYS A 48 -10.877 -16.935 -4.347 1.00 0.00 C ATOM 740 NZ LYS A 48 -12.139 -16.563 -5.025 1.00 0.00 N ATOM 0 H LYS A 48 -6.857 -12.859 -1.950 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.171 -14.163 -1.071 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.323 -14.077 -3.385 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.029 -15.173 -2.943 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.439 -16.898 -3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.355 -16.428 -1.950 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.879 -15.087 -3.236 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.823 -15.076 -4.635 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.222 -17.456 -5.046 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.086 -17.626 -3.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.604 -17.420 -5.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.769 -16.086 -4.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.932 -15.921 -5.817 1.00 0.00 H new ATOM 753 N GLU A 49 -6.380 -15.522 -0.042 1.00 0.00 N ATOM 754 CA GLU A 49 -5.827 -16.471 0.910 1.00 0.00 C ATOM 755 C GLU A 49 -6.175 -16.052 2.340 1.00 0.00 C ATOM 756 O GLU A 49 -6.498 -16.895 3.176 1.00 0.00 O ATOM 757 CB GLU A 49 -4.314 -16.607 0.731 1.00 0.00 C ATOM 758 CG GLU A 49 -3.979 -17.665 -0.322 1.00 0.00 C ATOM 759 CD GLU A 49 -3.081 -18.757 0.263 1.00 0.00 C ATOM 760 OE1 GLU A 49 -2.484 -18.562 1.332 1.00 0.00 O ATOM 761 OE2 GLU A 49 -3.014 -19.840 -0.435 1.00 0.00 O ATOM 0 H GLU A 49 -5.687 -14.960 -0.536 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.272 -17.448 0.720 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.892 -15.647 0.434 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.855 -16.877 1.682 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.899 -18.110 -0.701 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.480 -17.195 -1.169 1.00 0.00 H new ATOM 769 N LEU A 50 -6.097 -14.751 2.577 1.00 0.00 N ATOM 770 CA LEU A 50 -6.399 -14.211 3.891 1.00 0.00 C ATOM 771 C LEU A 50 -7.740 -14.770 4.372 1.00 0.00 C ATOM 772 O LEU A 50 -7.924 -15.015 5.563 1.00 0.00 O ATOM 773 CB LEU A 50 -6.344 -12.682 3.868 1.00 0.00 C ATOM 774 CG LEU A 50 -4.966 -12.064 3.620 1.00 0.00 C ATOM 775 CD1 LEU A 50 -5.086 -10.584 3.254 1.00 0.00 C ATOM 776 CD2 LEU A 50 -4.042 -12.285 4.819 1.00 0.00 C ATOM 0 H LEU A 50 -5.829 -14.055 1.881 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.645 -14.524 4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.025 -12.325 3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.721 -12.310 4.821 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.514 -12.570 2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.092 -10.170 3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.683 -10.481 2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.568 -10.045 4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.070 -11.836 4.617 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.478 -11.822 5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.919 -13.354 4.992 1.00 0.00 H new ATOM 788 N GLY A 51 -8.643 -14.955 3.420 1.00 0.00 N ATOM 789 CA GLY A 51 -9.961 -15.481 3.731 1.00 0.00 C ATOM 790 C GLY A 51 -11.041 -14.421 3.506 1.00 0.00 C ATOM 791 O GLY A 51 -11.929 -14.248 4.339 1.00 0.00 O ATOM 0 H GLY A 51 -8.488 -14.750 2.433 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.165 -16.352 3.108 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.987 -15.818 4.767 1.00 0.00 H new ATOM 795 N PHE A 52 -10.930 -13.739 2.376 1.00 0.00 N ATOM 796 CA PHE A 52 -11.886 -12.700 2.031 1.00 0.00 C ATOM 797 C PHE A 52 -12.750 -13.124 0.841 1.00 0.00 C ATOM 798 O PHE A 52 -12.238 -13.644 -0.149 1.00 0.00 O ATOM 799 CB PHE A 52 -11.078 -11.460 1.643 1.00 0.00 C ATOM 800 CG PHE A 52 -10.497 -10.698 2.836 1.00 0.00 C ATOM 801 CD1 PHE A 52 -9.488 -11.244 3.566 1.00 0.00 C ATOM 802 CD2 PHE A 52 -10.990 -9.474 3.166 1.00 0.00 C ATOM 803 CE1 PHE A 52 -8.949 -10.537 4.673 1.00 0.00 C ATOM 804 CE2 PHE A 52 -10.451 -8.767 4.273 1.00 0.00 C ATOM 805 CZ PHE A 52 -9.442 -9.313 5.004 1.00 0.00 C ATOM 0 H PHE A 52 -10.192 -13.885 1.687 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.547 -12.507 2.876 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -10.263 -11.761 0.985 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.717 -10.787 1.071 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.097 -12.216 3.304 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.791 -9.040 2.586 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.148 -10.971 5.252 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.842 -7.795 4.535 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.033 -8.775 5.846 1.00 0.00 H new ATOM 815 N ASP A 53 -14.046 -12.884 0.977 1.00 0.00 N ATOM 816 CA ASP A 53 -14.986 -13.234 -0.074 1.00 0.00 C ATOM 817 C ASP A 53 -16.129 -12.217 -0.089 1.00 0.00 C ATOM 818 O ASP A 53 -16.158 -11.324 -0.934 1.00 0.00 O ATOM 819 CB ASP A 53 -15.589 -14.620 0.166 1.00 0.00 C ATOM 820 CG ASP A 53 -15.133 -15.702 -0.814 1.00 0.00 C ATOM 821 OD1 ASP A 53 -13.962 -16.110 -0.816 1.00 0.00 O ATOM 822 OD2 ASP A 53 -16.050 -16.136 -1.612 1.00 0.00 O ATOM 0 H ASP A 53 -14.467 -12.451 1.799 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.448 -13.234 -1.022 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -15.338 -14.938 1.178 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.675 -14.541 0.117 1.00 0.00 H new ATOM 828 N SER A 54 -17.042 -12.387 0.855 1.00 0.00 N ATOM 829 CA SER A 54 -18.184 -11.495 0.960 1.00 0.00 C ATOM 830 C SER A 54 -18.320 -10.986 2.397 1.00 0.00 C ATOM 831 O SER A 54 -18.190 -9.789 2.650 1.00 0.00 O ATOM 832 CB SER A 54 -19.472 -12.194 0.522 1.00 0.00 C ATOM 833 OG SER A 54 -19.580 -12.274 -0.897 1.00 0.00 O ATOM 0 H SER A 54 -17.014 -13.129 1.554 1.00 0.00 H new ATOM 0 HA SER A 54 -18.018 -10.648 0.294 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.501 -13.198 0.945 1.00 0.00 H new ATOM 0 HB3 SER A 54 -20.331 -11.655 0.921 1.00 0.00 H new ATOM 0 HG SER A 54 -20.415 -12.728 -1.136 1.00 0.00 H new ATOM 839 N LEU A 55 -18.579 -11.920 3.300 1.00 0.00 N ATOM 840 CA LEU A 55 -18.734 -11.580 4.704 1.00 0.00 C ATOM 841 C LEU A 55 -17.433 -10.962 5.221 1.00 0.00 C ATOM 842 O LEU A 55 -17.440 -9.862 5.772 1.00 0.00 O ATOM 843 CB LEU A 55 -19.194 -12.801 5.503 1.00 0.00 C ATOM 844 CG LEU A 55 -20.706 -13.025 5.574 1.00 0.00 C ATOM 845 CD1 LEU A 55 -21.063 -14.471 5.221 1.00 0.00 C ATOM 846 CD2 LEU A 55 -21.257 -12.616 6.941 1.00 0.00 C ATOM 0 H LEU A 55 -18.685 -12.912 3.087 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.516 -10.831 4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.735 -13.689 5.068 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.812 -12.710 6.520 1.00 0.00 H new ATOM 0 HG LEU A 55 -21.182 -12.385 4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -22.143 -14.604 5.279 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.724 -14.693 4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.576 -15.148 5.923 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -22.334 -12.785 6.965 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -20.779 -13.211 7.719 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -21.052 -11.560 7.115 1.00 0.00 H new ATOM 858 N ALA A 56 -16.348 -11.697 5.026 1.00 0.00 N ATOM 859 CA ALA A 56 -15.042 -11.234 5.466 1.00 0.00 C ATOM 860 C ALA A 56 -14.591 -10.073 4.577 1.00 0.00 C ATOM 861 O ALA A 56 -13.750 -9.270 4.978 1.00 0.00 O ATOM 862 CB ALA A 56 -14.053 -12.402 5.445 1.00 0.00 C ATOM 0 H ALA A 56 -16.346 -12.609 4.570 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.091 -10.865 6.491 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.074 -12.055 5.775 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.404 -13.188 6.114 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.976 -12.796 4.431 1.00 0.00 H new ATOM 868 N ALA A 57 -15.172 -10.020 3.387 1.00 0.00 N ATOM 869 CA ALA A 57 -14.840 -8.971 2.439 1.00 0.00 C ATOM 870 C ALA A 57 -15.577 -7.687 2.827 1.00 0.00 C ATOM 871 O ALA A 57 -15.102 -6.587 2.550 1.00 0.00 O ATOM 872 CB ALA A 57 -15.185 -9.435 1.022 1.00 0.00 C ATOM 0 H ALA A 57 -15.870 -10.687 3.058 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.771 -8.758 2.461 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -14.936 -8.648 0.311 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.615 -10.333 0.784 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.251 -9.655 0.961 1.00 0.00 H new ATOM 878 N VAL A 58 -16.725 -7.871 3.462 1.00 0.00 N ATOM 879 CA VAL A 58 -17.532 -6.742 3.891 1.00 0.00 C ATOM 880 C VAL A 58 -17.091 -6.307 5.290 1.00 0.00 C ATOM 881 O VAL A 58 -16.979 -5.114 5.567 1.00 0.00 O ATOM 882 CB VAL A 58 -19.017 -7.102 3.818 1.00 0.00 C ATOM 883 CG1 VAL A 58 -19.779 -6.534 5.017 1.00 0.00 C ATOM 884 CG2 VAL A 58 -19.633 -6.624 2.501 1.00 0.00 C ATOM 0 H VAL A 58 -17.115 -8.785 3.690 1.00 0.00 H new ATOM 0 HA VAL A 58 -17.384 -5.892 3.224 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.100 -8.188 3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -20.832 -6.805 4.940 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.365 -6.944 5.938 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -19.683 -5.448 5.028 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -20.689 -6.893 2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -19.532 -5.541 2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -19.117 -7.097 1.665 1.00 0.00 H new ATOM 894 N ARG A 59 -16.852 -7.299 6.135 1.00 0.00 N ATOM 895 CA ARG A 59 -16.426 -7.034 7.499 1.00 0.00 C ATOM 896 C ARG A 59 -15.251 -6.054 7.507 1.00 0.00 C ATOM 897 O ARG A 59 -15.170 -5.184 8.372 1.00 0.00 O ATOM 898 CB ARG A 59 -16.008 -8.325 8.206 1.00 0.00 C ATOM 899 CG ARG A 59 -17.171 -8.912 9.009 1.00 0.00 C ATOM 900 CD ARG A 59 -16.840 -8.954 10.502 1.00 0.00 C ATOM 901 NE ARG A 59 -18.020 -8.542 11.294 1.00 0.00 N ATOM 902 CZ ARG A 59 -17.976 -8.209 12.601 1.00 0.00 C ATOM 903 NH1 ARG A 59 -16.807 -8.236 13.276 1.00 0.00 N ATOM 904 NH2 ARG A 59 -19.093 -7.856 13.210 1.00 0.00 N ATOM 0 H ARG A 59 -16.945 -8.288 5.902 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.271 -6.598 8.032 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.666 -9.053 7.470 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -15.167 -8.124 8.870 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -18.067 -8.313 8.848 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -17.392 -9.918 8.653 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -16.534 -9.961 10.787 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -16.000 -8.293 10.715 1.00 0.00 H new ATOM 0 HE ARG A 59 -18.924 -8.508 10.822 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.948 -8.510 12.798 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.782 -7.983 14.264 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -19.972 -7.838 12.693 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -19.077 -7.601 14.198 1.00 0.00 H new ATOM 917 N LEU A 60 -14.370 -6.227 6.532 1.00 0.00 N ATOM 918 CA LEU A 60 -13.204 -5.369 6.416 1.00 0.00 C ATOM 919 C LEU A 60 -13.637 -3.996 5.898 1.00 0.00 C ATOM 920 O LEU A 60 -13.276 -2.970 6.473 1.00 0.00 O ATOM 921 CB LEU A 60 -12.129 -6.039 5.558 1.00 0.00 C ATOM 922 CG LEU A 60 -11.068 -5.109 4.966 1.00 0.00 C ATOM 923 CD1 LEU A 60 -9.899 -4.923 5.935 1.00 0.00 C ATOM 924 CD2 LEU A 60 -10.603 -5.609 3.596 1.00 0.00 C ATOM 0 H LEU A 60 -14.441 -6.949 5.815 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.747 -5.212 7.393 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.626 -6.793 6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.621 -6.564 4.739 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.520 -4.129 4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.159 -4.258 5.489 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.264 -4.489 6.866 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.440 -5.890 6.141 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.849 -4.930 3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.175 -6.606 3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.453 -5.647 2.915 1.00 0.00 H new ATOM 936 N ARG A 61 -14.403 -4.020 4.818 1.00 0.00 N ATOM 937 CA ARG A 61 -14.889 -2.790 4.217 1.00 0.00 C ATOM 938 C ARG A 61 -15.669 -1.969 5.245 1.00 0.00 C ATOM 939 O ARG A 61 -15.653 -0.739 5.204 1.00 0.00 O ATOM 940 CB ARG A 61 -15.792 -3.083 3.016 1.00 0.00 C ATOM 941 CG ARG A 61 -16.572 -1.835 2.600 1.00 0.00 C ATOM 942 CD ARG A 61 -18.046 -1.953 2.993 1.00 0.00 C ATOM 943 NE ARG A 61 -18.734 -2.908 2.096 1.00 0.00 N ATOM 944 CZ ARG A 61 -20.064 -2.907 1.865 1.00 0.00 C ATOM 945 NH1 ARG A 61 -20.862 -1.999 2.465 1.00 0.00 N ATOM 946 NH2 ARG A 61 -20.572 -3.807 1.045 1.00 0.00 N ATOM 0 H ARG A 61 -14.699 -4.873 4.343 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.023 -2.223 3.876 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -15.188 -3.434 2.179 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -16.487 -3.884 3.266 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -16.135 -0.955 3.072 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.490 -1.693 1.522 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.130 -2.288 4.027 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -18.526 -0.976 2.934 1.00 0.00 H new ATOM 0 HE ARG A 61 -18.167 -3.612 1.622 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -20.461 -1.307 3.098 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -21.866 -2.005 2.285 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.962 -4.490 0.596 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -21.575 -3.820 0.860 1.00 0.00 H new ATOM 959 N ASN A 62 -16.335 -2.681 6.142 1.00 0.00 N ATOM 960 CA ASN A 62 -17.120 -2.033 7.179 1.00 0.00 C ATOM 961 C ASN A 62 -16.185 -1.263 8.114 1.00 0.00 C ATOM 962 O ASN A 62 -16.477 -0.130 8.494 1.00 0.00 O ATOM 963 CB ASN A 62 -17.884 -3.062 8.015 1.00 0.00 C ATOM 964 CG ASN A 62 -18.771 -3.939 7.129 1.00 0.00 C ATOM 965 OD1 ASN A 62 -18.760 -5.156 7.207 1.00 0.00 O ATOM 966 ND2 ASN A 62 -19.538 -3.254 6.286 1.00 0.00 N ATOM 0 H ASN A 62 -16.347 -3.700 6.172 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.831 -1.363 6.695 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.178 -3.688 8.562 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -18.497 -2.550 8.757 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.167 -3.748 5.653 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -19.498 -2.235 6.273 1.00 0.00 H new ATOM 973 N LEU A 63 -15.081 -1.909 8.458 1.00 0.00 N ATOM 974 CA LEU A 63 -14.102 -1.300 9.342 1.00 0.00 C ATOM 975 C LEU A 63 -13.319 -0.235 8.571 1.00 0.00 C ATOM 976 O LEU A 63 -13.065 0.851 9.090 1.00 0.00 O ATOM 977 CB LEU A 63 -13.217 -2.371 9.982 1.00 0.00 C ATOM 978 CG LEU A 63 -12.657 -2.039 11.366 1.00 0.00 C ATOM 979 CD1 LEU A 63 -12.781 -3.237 12.310 1.00 0.00 C ATOM 980 CD2 LEU A 63 -11.216 -1.534 11.268 1.00 0.00 C ATOM 0 H LEU A 63 -14.843 -2.849 8.140 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.599 -0.795 10.170 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -13.793 -3.293 10.057 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.381 -2.571 9.312 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.253 -1.231 11.790 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.375 -2.974 13.287 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -13.831 -3.511 12.415 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.225 -4.081 11.902 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.842 -1.305 12.266 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.591 -2.303 10.814 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.187 -0.634 10.654 1.00 0.00 H new ATOM 992 N LEU A 64 -12.958 -0.584 7.345 1.00 0.00 N ATOM 993 CA LEU A 64 -12.209 0.328 6.497 1.00 0.00 C ATOM 994 C LEU A 64 -13.001 1.626 6.327 1.00 0.00 C ATOM 995 O LEU A 64 -12.444 2.650 5.933 1.00 0.00 O ATOM 996 CB LEU A 64 -11.844 -0.348 5.174 1.00 0.00 C ATOM 997 CG LEU A 64 -10.718 -1.382 5.238 1.00 0.00 C ATOM 998 CD1 LEU A 64 -10.123 -1.631 3.851 1.00 0.00 C ATOM 999 CD2 LEU A 64 -9.651 -0.970 6.254 1.00 0.00 C ATOM 0 H LEU A 64 -13.170 -1.486 6.918 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.261 0.592 6.965 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.736 -0.835 4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.561 0.425 4.460 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.141 -2.326 5.581 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.325 -2.370 3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.900 -2.002 3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.719 -0.699 3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.863 -1.722 6.279 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.226 -0.009 5.966 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.103 -0.885 7.242 1.00 0.00 H new ATOM 1011 N ASN A 65 -14.288 1.541 6.631 1.00 0.00 N ATOM 1012 CA ASN A 65 -15.162 2.696 6.516 1.00 0.00 C ATOM 1013 C ASN A 65 -14.663 3.802 7.448 1.00 0.00 C ATOM 1014 O ASN A 65 -14.759 4.984 7.122 1.00 0.00 O ATOM 1015 CB ASN A 65 -16.594 2.345 6.923 1.00 0.00 C ATOM 1016 CG ASN A 65 -17.576 3.421 6.455 1.00 0.00 C ATOM 1017 OD1 ASN A 65 -18.645 2.941 5.826 1.00 0.00 O flip ATOM 1018 ND2 ASN A 65 -17.377 4.608 6.653 1.00 0.00 N flip ATOM 0 H ASN A 65 -14.746 0.690 6.957 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.153 3.024 5.477 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.872 1.382 6.494 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.653 2.240 8.006 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -16.535 4.909 7.143 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.053 5.300 6.329 1.00 0.00 H new ATOM 1025 N ALA A 66 -14.142 3.379 8.591 1.00 0.00 N ATOM 1026 CA ALA A 66 -13.628 4.319 9.572 1.00 0.00 C ATOM 1027 C ALA A 66 -12.157 4.611 9.271 1.00 0.00 C ATOM 1028 O ALA A 66 -11.451 5.182 10.101 1.00 0.00 O ATOM 1029 CB ALA A 66 -13.834 3.753 10.979 1.00 0.00 C ATOM 0 H ALA A 66 -14.065 2.398 8.859 1.00 0.00 H new ATOM 0 HA ALA A 66 -14.169 5.264 9.518 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.448 4.458 11.715 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.898 3.591 11.154 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.303 2.806 11.071 1.00 0.00 H new ATOM 1035 N ALA A 67 -11.738 4.206 8.082 1.00 0.00 N ATOM 1036 CA ALA A 67 -10.363 4.417 7.661 1.00 0.00 C ATOM 1037 C ALA A 67 -10.350 5.217 6.357 1.00 0.00 C ATOM 1038 O ALA A 67 -9.286 5.505 5.811 1.00 0.00 O ATOM 1039 CB ALA A 67 -9.658 3.066 7.522 1.00 0.00 C ATOM 0 H ALA A 67 -12.326 3.733 7.396 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.818 4.994 8.408 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.627 3.224 7.206 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.668 2.550 8.482 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -10.176 2.460 6.779 1.00 0.00 H new ATOM 1045 N THR A 68 -11.546 5.553 5.895 1.00 0.00 N ATOM 1046 CA THR A 68 -11.686 6.315 4.665 1.00 0.00 C ATOM 1047 C THR A 68 -12.806 7.348 4.802 1.00 0.00 C ATOM 1048 O THR A 68 -12.609 8.525 4.506 1.00 0.00 O ATOM 1049 CB THR A 68 -11.909 5.326 3.519 1.00 0.00 C ATOM 1050 OG1 THR A 68 -12.805 4.360 4.063 1.00 0.00 O ATOM 1051 CG2 THR A 68 -10.651 4.521 3.187 1.00 0.00 C ATOM 0 H THR A 68 -12.426 5.312 6.350 1.00 0.00 H new ATOM 0 HA THR A 68 -10.784 6.887 4.449 1.00 0.00 H new ATOM 0 HB THR A 68 -12.238 5.867 2.632 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.292 3.630 4.469 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.864 3.835 2.367 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.851 5.201 2.893 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.340 3.953 4.064 1.00 0.00 H new ATOM 1059 N GLY A 69 -13.957 6.870 5.252 1.00 0.00 N ATOM 1060 CA GLY A 69 -15.108 7.738 5.432 1.00 0.00 C ATOM 1061 C GLY A 69 -16.302 7.242 4.613 1.00 0.00 C ATOM 1062 O GLY A 69 -17.444 7.603 4.892 1.00 0.00 O ATOM 0 H GLY A 69 -14.117 5.893 5.497 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.377 7.777 6.487 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.853 8.754 5.131 1.00 0.00 H new ATOM 1066 N LEU A 70 -15.997 6.421 3.618 1.00 0.00 N ATOM 1067 CA LEU A 70 -17.030 5.872 2.757 1.00 0.00 C ATOM 1068 C LEU A 70 -17.217 4.387 3.076 1.00 0.00 C ATOM 1069 O LEU A 70 -16.685 3.889 4.066 1.00 0.00 O ATOM 1070 CB LEU A 70 -16.707 6.150 1.288 1.00 0.00 C ATOM 1071 CG LEU A 70 -15.324 5.702 0.809 1.00 0.00 C ATOM 1072 CD1 LEU A 70 -15.415 4.991 -0.542 1.00 0.00 C ATOM 1073 CD2 LEU A 70 -14.349 6.881 0.772 1.00 0.00 C ATOM 0 H LEU A 70 -15.049 6.123 3.389 1.00 0.00 H new ATOM 0 HA LEU A 70 -17.985 6.362 2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -17.460 5.659 0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.801 7.222 1.112 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.931 4.981 1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -14.419 4.683 -0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.054 4.113 -0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -15.838 5.670 -1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -13.374 6.536 0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -14.725 7.643 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -14.252 7.305 1.772 1.00 0.00 H new ATOM 1085 N ARG A 71 -17.975 3.721 2.216 1.00 0.00 N ATOM 1086 CA ARG A 71 -18.239 2.304 2.393 1.00 0.00 C ATOM 1087 C ARG A 71 -17.360 1.478 1.451 1.00 0.00 C ATOM 1088 O ARG A 71 -17.493 0.257 1.382 1.00 0.00 O ATOM 1089 CB ARG A 71 -19.709 1.979 2.124 1.00 0.00 C ATOM 1090 CG ARG A 71 -20.413 1.523 3.404 1.00 0.00 C ATOM 1091 CD ARG A 71 -21.934 1.570 3.240 1.00 0.00 C ATOM 1092 NE ARG A 71 -22.544 0.354 3.822 1.00 0.00 N ATOM 1093 CZ ARG A 71 -23.785 -0.086 3.525 1.00 0.00 C ATOM 1094 NH1 ARG A 71 -24.561 0.589 2.650 1.00 0.00 N ATOM 1095 NH2 ARG A 71 -24.230 -1.185 4.104 1.00 0.00 N ATOM 0 H ARG A 71 -18.414 4.137 1.395 1.00 0.00 H new ATOM 0 HA ARG A 71 -18.007 2.051 3.427 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -20.212 2.858 1.722 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -19.780 1.197 1.368 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -20.102 0.508 3.653 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -20.113 2.161 4.235 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -22.334 2.458 3.731 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -22.192 1.646 2.184 1.00 0.00 H new ATOM 0 HE ARG A 71 -21.992 -0.185 4.489 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -24.211 1.439 2.208 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -25.498 0.249 2.431 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -23.639 -1.689 4.765 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -25.165 -1.531 3.891 1.00 0.00 H new ATOM 1108 N LEU A 72 -16.483 2.178 0.747 1.00 0.00 N ATOM 1109 CA LEU A 72 -15.583 1.526 -0.189 1.00 0.00 C ATOM 1110 C LEU A 72 -16.401 0.714 -1.195 1.00 0.00 C ATOM 1111 O LEU A 72 -17.557 0.381 -0.936 1.00 0.00 O ATOM 1112 CB LEU A 72 -14.537 0.699 0.561 1.00 0.00 C ATOM 1113 CG LEU A 72 -13.777 1.427 1.672 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -13.112 0.432 2.625 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -12.771 2.420 1.087 1.00 0.00 C ATOM 0 H LEU A 72 -16.376 3.191 0.806 1.00 0.00 H new ATOM 0 HA LEU A 72 -15.022 2.268 -0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.033 -0.169 0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -13.813 0.324 -0.162 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.495 2.002 2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.579 0.976 3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.874 -0.201 3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.409 -0.189 2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.244 2.924 1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.053 1.886 0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.298 3.158 0.482 1.00 0.00 H new ATOM 1127 N PRO A 73 -15.754 0.413 -2.353 1.00 0.00 N ATOM 1128 CA PRO A 73 -16.409 -0.353 -3.399 1.00 0.00 C ATOM 1129 C PRO A 73 -16.498 -1.833 -3.022 1.00 0.00 C ATOM 1130 O PRO A 73 -15.579 -2.378 -2.412 1.00 0.00 O ATOM 1131 CB PRO A 73 -15.577 -0.106 -4.647 1.00 0.00 C ATOM 1132 CG PRO A 73 -14.233 0.406 -4.157 1.00 0.00 C ATOM 1133 CD PRO A 73 -14.386 0.791 -2.694 1.00 0.00 C ATOM 0 HA PRO A 73 -17.443 -0.048 -3.559 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.459 -1.022 -5.225 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -16.058 0.623 -5.299 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.467 -0.361 -4.272 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.914 1.265 -4.747 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.663 0.267 -2.069 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -14.221 1.858 -2.546 1.00 0.00 H new ATOM 1141 N SER A 74 -17.611 -2.442 -3.402 1.00 0.00 N ATOM 1142 CA SER A 74 -17.832 -3.849 -3.111 1.00 0.00 C ATOM 1143 C SER A 74 -16.781 -4.701 -3.825 1.00 0.00 C ATOM 1144 O SER A 74 -16.556 -5.853 -3.457 1.00 0.00 O ATOM 1145 CB SER A 74 -19.239 -4.283 -3.526 1.00 0.00 C ATOM 1146 OG SER A 74 -20.230 -3.345 -3.117 1.00 0.00 O ATOM 0 H SER A 74 -18.370 -1.987 -3.909 1.00 0.00 H new ATOM 0 HA SER A 74 -17.739 -3.995 -2.035 1.00 0.00 H new ATOM 0 HB2 SER A 74 -19.277 -4.401 -4.609 1.00 0.00 H new ATOM 0 HB3 SER A 74 -19.461 -5.257 -3.091 1.00 0.00 H new ATOM 0 HG SER A 74 -21.114 -3.658 -3.402 1.00 0.00 H new ATOM 1152 N THR A 75 -16.164 -4.102 -4.833 1.00 0.00 N ATOM 1153 CA THR A 75 -15.142 -4.792 -5.602 1.00 0.00 C ATOM 1154 C THR A 75 -13.761 -4.554 -4.988 1.00 0.00 C ATOM 1155 O THR A 75 -12.778 -5.161 -5.409 1.00 0.00 O ATOM 1156 CB THR A 75 -15.249 -4.327 -7.055 1.00 0.00 C ATOM 1157 OG1 THR A 75 -14.972 -2.931 -6.995 1.00 0.00 O ATOM 1158 CG2 THR A 75 -16.681 -4.400 -7.590 1.00 0.00 C ATOM 0 H THR A 75 -16.352 -3.146 -5.135 1.00 0.00 H new ATOM 0 HA THR A 75 -15.292 -5.871 -5.579 1.00 0.00 H new ATOM 0 HB THR A 75 -14.597 -4.937 -7.679 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.019 -2.549 -7.896 1.00 0.00 H new ATOM 0 HG21 THR A 75 -16.701 -4.059 -8.625 1.00 0.00 H new ATOM 0 HG22 THR A 75 -17.036 -5.429 -7.541 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.328 -3.764 -6.986 1.00 0.00 H new ATOM 1166 N LEU A 76 -13.732 -3.669 -4.002 1.00 0.00 N ATOM 1167 CA LEU A 76 -12.488 -3.342 -3.326 1.00 0.00 C ATOM 1168 C LEU A 76 -11.768 -4.636 -2.941 1.00 0.00 C ATOM 1169 O LEU A 76 -10.557 -4.755 -3.124 1.00 0.00 O ATOM 1170 CB LEU A 76 -12.750 -2.408 -2.143 1.00 0.00 C ATOM 1171 CG LEU A 76 -13.198 -3.081 -0.844 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -11.993 -3.480 0.010 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -14.176 -2.191 -0.075 1.00 0.00 C ATOM 0 H LEU A 76 -14.550 -3.168 -3.655 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.824 -2.793 -3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.839 -1.845 -1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.512 -1.687 -2.437 1.00 0.00 H new ATOM 0 HG LEU A 76 -13.729 -3.998 -1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -12.339 -3.956 0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.367 -4.177 -0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -11.413 -2.591 0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -14.479 -2.693 0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -13.692 -1.246 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -15.055 -2.000 -0.691 1.00 0.00 H new ATOM 1185 N VAL A 77 -12.542 -5.573 -2.413 1.00 0.00 N ATOM 1186 CA VAL A 77 -11.994 -6.853 -2.000 1.00 0.00 C ATOM 1187 C VAL A 77 -12.062 -7.834 -3.172 1.00 0.00 C ATOM 1188 O VAL A 77 -12.309 -9.023 -2.978 1.00 0.00 O ATOM 1189 CB VAL A 77 -12.724 -7.358 -0.755 1.00 0.00 C ATOM 1190 CG1 VAL A 77 -12.330 -8.801 -0.435 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -12.466 -6.441 0.442 1.00 0.00 C ATOM 0 H VAL A 77 -13.546 -5.471 -2.262 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.945 -6.748 -1.724 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.793 -7.342 -0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.864 -9.135 0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -12.589 -9.444 -1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.256 -8.854 -0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.997 -6.823 1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.397 -6.410 0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -12.820 -5.436 0.213 1.00 0.00 H new ATOM 1201 N PHE A 78 -11.837 -7.299 -4.364 1.00 0.00 N ATOM 1202 CA PHE A 78 -11.870 -8.113 -5.567 1.00 0.00 C ATOM 1203 C PHE A 78 -10.800 -7.661 -6.564 1.00 0.00 C ATOM 1204 O PHE A 78 -10.107 -8.489 -7.153 1.00 0.00 O ATOM 1205 CB PHE A 78 -13.251 -7.923 -6.198 1.00 0.00 C ATOM 1206 CG PHE A 78 -13.981 -9.232 -6.502 1.00 0.00 C ATOM 1207 CD1 PHE A 78 -14.746 -9.822 -5.545 1.00 0.00 C ATOM 1208 CD2 PHE A 78 -13.866 -9.806 -7.730 1.00 0.00 C ATOM 1209 CE1 PHE A 78 -15.425 -11.037 -5.827 1.00 0.00 C ATOM 1210 CE2 PHE A 78 -14.545 -11.021 -8.012 1.00 0.00 C ATOM 1211 CZ PHE A 78 -15.310 -11.611 -7.055 1.00 0.00 C ATOM 0 H PHE A 78 -11.631 -6.312 -4.522 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.678 -9.156 -5.316 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -13.866 -7.323 -5.527 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -13.142 -7.356 -7.123 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -14.837 -9.366 -4.570 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -13.258 -9.338 -8.490 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -16.033 -11.505 -5.067 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -14.454 -11.477 -8.987 1.00 0.00 H new ATOM 0 HZ PHE A 78 -15.826 -12.535 -7.270 1.00 0.00 H new ATOM 1221 N ASP A 79 -10.699 -6.350 -6.720 1.00 0.00 N ATOM 1222 CA ASP A 79 -9.726 -5.778 -7.635 1.00 0.00 C ATOM 1223 C ASP A 79 -8.383 -5.630 -6.916 1.00 0.00 C ATOM 1224 O ASP A 79 -7.347 -5.459 -7.558 1.00 0.00 O ATOM 1225 CB ASP A 79 -10.164 -4.391 -8.109 1.00 0.00 C ATOM 1226 CG ASP A 79 -9.942 -4.117 -9.598 1.00 0.00 C ATOM 1227 OD1 ASP A 79 -10.368 -4.898 -10.462 1.00 0.00 O ATOM 1228 OD2 ASP A 79 -9.292 -3.034 -9.862 1.00 0.00 O ATOM 0 H ASP A 79 -11.275 -5.667 -6.228 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.641 -6.442 -8.495 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.223 -4.265 -7.886 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.625 -3.639 -7.532 1.00 0.00 H new ATOM 1234 N HIS A 80 -8.444 -5.700 -5.595 1.00 0.00 N ATOM 1235 CA HIS A 80 -7.246 -5.576 -4.782 1.00 0.00 C ATOM 1236 C HIS A 80 -6.684 -6.966 -4.480 1.00 0.00 C ATOM 1237 O HIS A 80 -7.297 -7.742 -3.749 1.00 0.00 O ATOM 1238 CB HIS A 80 -7.529 -4.763 -3.517 1.00 0.00 C ATOM 1239 CG HIS A 80 -7.526 -5.582 -2.248 1.00 0.00 C ATOM 1240 ND1 HIS A 80 -6.438 -6.337 -1.846 1.00 0.00 N ATOM 1241 CD2 HIS A 80 -8.488 -5.754 -1.296 1.00 0.00 C ATOM 1242 CE1 HIS A 80 -6.743 -6.933 -0.703 1.00 0.00 C ATOM 1243 NE2 HIS A 80 -8.014 -6.572 -0.364 1.00 0.00 N ATOM 0 H HIS A 80 -9.305 -5.841 -5.067 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.484 -5.026 -5.334 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -6.782 -3.974 -3.430 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.498 -4.275 -3.620 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.469 -5.302 -1.300 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -6.098 -7.590 -0.138 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -8.517 -6.880 0.468 1.00 0.00 H new ATOM 1251 N PRO A 81 -5.494 -7.247 -5.075 1.00 0.00 N ATOM 1252 CA PRO A 81 -4.842 -8.530 -4.877 1.00 0.00 C ATOM 1253 C PRO A 81 -4.207 -8.614 -3.487 1.00 0.00 C ATOM 1254 O PRO A 81 -4.098 -9.698 -2.916 1.00 0.00 O ATOM 1255 CB PRO A 81 -3.825 -8.633 -6.002 1.00 0.00 C ATOM 1256 CG PRO A 81 -3.619 -7.214 -6.508 1.00 0.00 C ATOM 1257 CD PRO A 81 -4.739 -6.352 -5.948 1.00 0.00 C ATOM 0 HA PRO A 81 -5.540 -9.366 -4.912 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.888 -9.060 -5.644 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.188 -9.283 -6.798 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.649 -6.833 -6.190 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.629 -7.192 -7.598 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.344 -5.500 -5.395 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.367 -5.952 -6.744 1.00 0.00 H new ATOM 1265 N ASN A 82 -3.806 -7.456 -2.984 1.00 0.00 N ATOM 1266 CA ASN A 82 -3.185 -7.386 -1.672 1.00 0.00 C ATOM 1267 C ASN A 82 -3.562 -6.061 -1.005 1.00 0.00 C ATOM 1268 O ASN A 82 -4.191 -5.206 -1.626 1.00 0.00 O ATOM 1269 CB ASN A 82 -1.660 -7.443 -1.781 1.00 0.00 C ATOM 1270 CG ASN A 82 -1.224 -8.432 -2.864 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -1.199 -9.636 -2.667 1.00 0.00 O ATOM 1272 ND2 ASN A 82 -0.882 -7.859 -4.014 1.00 0.00 N ATOM 0 H ASN A 82 -3.899 -6.559 -3.461 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.537 -8.235 -1.086 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.271 -6.451 -2.011 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.234 -7.737 -0.822 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.576 -8.434 -4.799 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.926 -6.845 -4.111 1.00 0.00 H new ATOM 1279 N ALA A 83 -3.162 -5.934 0.251 1.00 0.00 N ATOM 1280 CA ALA A 83 -3.450 -4.728 1.010 1.00 0.00 C ATOM 1281 C ALA A 83 -2.815 -3.526 0.308 1.00 0.00 C ATOM 1282 O ALA A 83 -3.468 -2.502 0.111 1.00 0.00 O ATOM 1283 CB ALA A 83 -2.950 -4.896 2.446 1.00 0.00 C ATOM 0 H ALA A 83 -2.641 -6.646 0.763 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.525 -4.552 1.058 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.166 -3.992 3.015 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.453 -5.745 2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.874 -5.071 2.439 1.00 0.00 H new ATOM 1289 N SER A 84 -1.550 -3.690 -0.049 1.00 0.00 N ATOM 1290 CA SER A 84 -0.820 -2.630 -0.724 1.00 0.00 C ATOM 1291 C SER A 84 -1.728 -1.934 -1.740 1.00 0.00 C ATOM 1292 O SER A 84 -1.587 -0.737 -1.986 1.00 0.00 O ATOM 1293 CB SER A 84 0.430 -3.178 -1.417 1.00 0.00 C ATOM 1294 OG SER A 84 1.560 -2.331 -1.226 1.00 0.00 O ATOM 0 H SER A 84 -1.012 -4.541 0.116 1.00 0.00 H new ATOM 0 HA SER A 84 -0.500 -1.905 0.024 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.653 -4.172 -1.030 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.235 -3.287 -2.484 1.00 0.00 H new ATOM 0 HG SER A 84 2.338 -2.716 -1.682 1.00 0.00 H new ATOM 1300 N ALA A 85 -2.639 -2.714 -2.303 1.00 0.00 N ATOM 1301 CA ALA A 85 -3.570 -2.187 -3.287 1.00 0.00 C ATOM 1302 C ALA A 85 -4.681 -1.418 -2.570 1.00 0.00 C ATOM 1303 O ALA A 85 -4.984 -0.280 -2.927 1.00 0.00 O ATOM 1304 CB ALA A 85 -4.113 -3.334 -4.142 1.00 0.00 C ATOM 0 H ALA A 85 -2.752 -3.706 -2.097 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.067 -1.491 -3.958 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.811 -2.939 -4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.287 -3.830 -4.653 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.628 -4.052 -3.503 1.00 0.00 H new ATOM 1310 N VAL A 86 -5.259 -2.069 -1.571 1.00 0.00 N ATOM 1311 CA VAL A 86 -6.331 -1.460 -0.801 1.00 0.00 C ATOM 1312 C VAL A 86 -5.936 -0.030 -0.429 1.00 0.00 C ATOM 1313 O VAL A 86 -6.723 0.900 -0.600 1.00 0.00 O ATOM 1314 CB VAL A 86 -6.657 -2.327 0.417 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -7.615 -1.602 1.364 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -7.228 -3.680 -0.010 1.00 0.00 C ATOM 0 H VAL A 86 -5.005 -3.012 -1.277 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.243 -1.401 -1.395 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.728 -2.511 0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.831 -2.239 2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.155 -0.675 1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.543 -1.374 0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.451 -4.276 0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.142 -3.525 -0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.498 -4.205 -0.627 1.00 0.00 H new ATOM 1326 N ALA A 87 -4.717 0.102 0.074 1.00 0.00 N ATOM 1327 CA ALA A 87 -4.209 1.404 0.472 1.00 0.00 C ATOM 1328 C ALA A 87 -4.457 2.410 -0.654 1.00 0.00 C ATOM 1329 O ALA A 87 -4.839 3.551 -0.398 1.00 0.00 O ATOM 1330 CB ALA A 87 -2.726 1.285 0.831 1.00 0.00 C ATOM 0 H ALA A 87 -4.067 -0.671 0.215 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.732 1.765 1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.344 2.261 1.130 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.606 0.581 1.655 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.169 0.927 -0.035 1.00 0.00 H new ATOM 1336 N GLY A 88 -4.230 1.950 -1.875 1.00 0.00 N ATOM 1337 CA GLY A 88 -4.424 2.795 -3.041 1.00 0.00 C ATOM 1338 C GLY A 88 -5.904 3.133 -3.233 1.00 0.00 C ATOM 1339 O GLY A 88 -6.305 4.287 -3.092 1.00 0.00 O ATOM 0 H GLY A 88 -3.913 1.003 -2.083 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.849 3.714 -2.928 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -4.045 2.289 -3.929 1.00 0.00 H new ATOM 1343 N PHE A 89 -6.676 2.104 -3.552 1.00 0.00 N ATOM 1344 CA PHE A 89 -8.103 2.277 -3.765 1.00 0.00 C ATOM 1345 C PHE A 89 -8.701 3.230 -2.727 1.00 0.00 C ATOM 1346 O PHE A 89 -9.547 4.060 -3.056 1.00 0.00 O ATOM 1347 CB PHE A 89 -8.749 0.900 -3.607 1.00 0.00 C ATOM 1348 CG PHE A 89 -9.623 0.482 -4.791 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -10.828 1.080 -4.991 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -9.194 -0.486 -5.645 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -11.640 0.693 -6.090 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -10.006 -0.873 -6.744 1.00 0.00 C ATOM 1353 CZ PHE A 89 -11.211 -0.275 -6.944 1.00 0.00 C ATOM 0 H PHE A 89 -6.340 1.148 -3.668 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.283 2.700 -4.753 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.965 0.156 -3.467 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.356 0.897 -2.702 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -11.168 1.850 -4.314 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.236 -0.960 -5.487 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -12.598 1.167 -6.248 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -9.666 -1.643 -7.421 1.00 0.00 H new ATOM 0 HZ PHE A 89 -11.827 -0.569 -7.781 1.00 0.00 H new ATOM 1363 N LEU A 90 -8.237 3.078 -1.495 1.00 0.00 N ATOM 1364 CA LEU A 90 -8.716 3.914 -0.408 1.00 0.00 C ATOM 1365 C LEU A 90 -8.175 5.334 -0.586 1.00 0.00 C ATOM 1366 O LEU A 90 -8.904 6.308 -0.404 1.00 0.00 O ATOM 1367 CB LEU A 90 -8.366 3.288 0.944 1.00 0.00 C ATOM 1368 CG LEU A 90 -9.313 2.195 1.442 1.00 0.00 C ATOM 1369 CD1 LEU A 90 -9.605 1.177 0.338 1.00 0.00 C ATOM 1370 CD2 LEU A 90 -8.766 1.529 2.706 1.00 0.00 C ATOM 0 H LEU A 90 -7.535 2.389 -1.226 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.804 3.981 -0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.362 2.869 0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.333 4.081 1.691 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.262 2.661 1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.281 0.411 0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.069 1.682 -0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.673 0.712 0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.459 0.756 3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.797 1.079 2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -8.652 2.277 3.491 1.00 0.00 H new ATOM 1382 N ASP A 91 -6.900 5.407 -0.939 1.00 0.00 N ATOM 1383 CA ASP A 91 -6.252 6.692 -1.144 1.00 0.00 C ATOM 1384 C ASP A 91 -6.985 7.457 -2.248 1.00 0.00 C ATOM 1385 O ASP A 91 -7.314 8.630 -2.082 1.00 0.00 O ATOM 1386 CB ASP A 91 -4.797 6.512 -1.579 1.00 0.00 C ATOM 1387 CG ASP A 91 -3.864 7.667 -1.211 1.00 0.00 C ATOM 1388 OD1 ASP A 91 -4.115 8.409 -0.249 1.00 0.00 O ATOM 1389 OD2 ASP A 91 -2.828 7.794 -1.968 1.00 0.00 O ATOM 0 H ASP A 91 -6.298 4.597 -1.088 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.281 7.239 -0.201 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.411 5.596 -1.132 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.771 6.374 -2.660 1.00 0.00 H new ATOM 1395 N ALA A 92 -7.218 6.761 -3.351 1.00 0.00 N ATOM 1396 CA ALA A 92 -7.906 7.360 -4.483 1.00 0.00 C ATOM 1397 C ALA A 92 -9.282 7.855 -4.034 1.00 0.00 C ATOM 1398 O ALA A 92 -9.787 8.850 -4.551 1.00 0.00 O ATOM 1399 CB ALA A 92 -7.994 6.344 -5.623 1.00 0.00 C ATOM 0 H ALA A 92 -6.943 5.788 -3.485 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.352 8.221 -4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.510 6.793 -6.472 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.989 6.048 -5.925 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.546 5.466 -5.286 1.00 0.00 H new ATOM 1405 N GLU A 93 -9.850 7.136 -3.076 1.00 0.00 N ATOM 1406 CA GLU A 93 -11.159 7.490 -2.552 1.00 0.00 C ATOM 1407 C GLU A 93 -11.042 8.669 -1.585 1.00 0.00 C ATOM 1408 O GLU A 93 -12.005 9.406 -1.379 1.00 0.00 O ATOM 1409 CB GLU A 93 -11.820 6.288 -1.875 1.00 0.00 C ATOM 1410 CG GLU A 93 -12.167 5.204 -2.897 1.00 0.00 C ATOM 1411 CD GLU A 93 -13.528 5.475 -3.543 1.00 0.00 C ATOM 1412 OE1 GLU A 93 -14.468 4.688 -3.360 1.00 0.00 O ATOM 1413 OE2 GLU A 93 -13.589 6.548 -4.257 1.00 0.00 O ATOM 0 H GLU A 93 -9.428 6.311 -2.650 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.794 7.791 -3.385 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.150 5.879 -1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.725 6.609 -1.359 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -11.396 5.165 -3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -12.180 4.230 -2.409 1.00 0.00 H new ATOM 1421 N LEU A 94 -9.854 8.812 -1.016 1.00 0.00 N ATOM 1422 CA LEU A 94 -9.599 9.889 -0.075 1.00 0.00 C ATOM 1423 C LEU A 94 -9.172 11.142 -0.844 1.00 0.00 C ATOM 1424 O LEU A 94 -9.353 12.260 -0.365 1.00 0.00 O ATOM 1425 CB LEU A 94 -8.590 9.446 0.986 1.00 0.00 C ATOM 1426 CG LEU A 94 -9.126 8.513 2.073 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -8.114 7.412 2.398 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -9.536 9.300 3.319 1.00 0.00 C ATOM 0 H LEU A 94 -9.057 8.199 -1.189 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.509 10.142 0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.760 8.948 0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.184 10.336 1.467 1.00 0.00 H new ATOM 0 HG LEU A 94 -10.023 8.025 1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.520 6.762 3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.914 6.825 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.186 7.863 2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.913 8.612 4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.671 9.834 3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.316 10.015 3.057 1.00 0.00 H new ATOM 1440 N GLY A 95 -8.614 10.912 -2.024 1.00 0.00 N ATOM 1441 CA GLY A 95 -8.161 12.008 -2.863 1.00 0.00 C ATOM 1442 C GLY A 95 -9.240 12.409 -3.871 1.00 0.00 C ATOM 1443 O GLY A 95 -10.203 11.673 -4.081 1.00 0.00 O ATOM 0 H GLY A 95 -8.466 9.983 -2.418 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.903 12.865 -2.240 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.255 11.715 -3.393 1.00 0.00 H new TER 1447 GLY A 95