USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 846 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 76 SER OG : rot -171:sc= 0.57 USER MOD Set 1.2: A 86 HIS : no HE2:sc= -3.31! C(o=-2.7!,f=-8!) USER MOD Single : A 27 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.081) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 29 GLN : amide:sc= -4.89 K(o=-4.9,f=-6) USER MOD Single : A 32 THR OG1 : rot -20:sc= 0.658 USER MOD Single : A 37 ASN :FLIP amide:sc= -5.37! F(o=-8,f=-5.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.642 USER MOD Single : A 51 SER OG : rot -70:sc= 0.971 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 23:sc= 0.0138! USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 105:sc= 0.252 USER MOD Single : A 73 HIS : no HD1:sc= -0.668 K(o=-0.67,f=-1.5) USER MOD Single : A 80 ASN : amide:sc= -1.46 K(o=-1.5,f=-6.1!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 132:sc= -2.66! (180deg=-8.17!) USER MOD Single : A 92 ASN : amide:sc= -2.39! C(o=-2.4!,f=-9.2!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 132 MET CE :methyl -144:sc= -6.55 (180deg=-11.5!) USER MOD Single : A 134 THR OG1 : rot 80:sc= 0.814 USER MOD Single : A 136 MET CE :methyl 175:sc= 0 (180deg=-0.0237) USER MOD Single : A 137 CYS SG : rot 180:sc= 0 USER MOD Single : A 139 CYS SG : rot 180:sc= 0 USER MOD Single : A 140 GLN : amide:sc= 0 X(o=0,f=-0.0052) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 27 9.921 8.724 2.612 1.00 0.00 N ATOM 2 CA GLN A 27 9.502 8.280 3.979 1.00 0.00 C ATOM 3 C GLN A 27 9.572 6.754 4.096 1.00 0.00 C ATOM 4 O GLN A 27 9.201 6.038 3.185 1.00 0.00 O ATOM 5 CB GLN A 27 8.058 8.763 4.127 1.00 0.00 C ATOM 6 CG GLN A 27 7.598 8.560 5.571 1.00 0.00 C ATOM 7 CD GLN A 27 8.249 9.616 6.466 1.00 0.00 C ATOM 8 OE1 GLN A 27 7.974 10.795 6.333 1.00 0.00 O ATOM 9 NE2 GLN A 27 9.102 9.246 7.379 1.00 0.00 N ATOM 0 HA GLN A 27 10.151 8.683 4.756 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.986 9.816 3.856 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.408 8.213 3.446 1.00 0.00 H new ATOM 0 HG2 GLN A 27 6.512 8.635 5.632 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.868 7.561 5.913 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.333 8.259 7.491 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.539 9.944 7.982 1.00 0.00 H new ATOM 18 N GLN A 28 10.047 6.260 5.216 1.00 0.00 N ATOM 19 CA GLN A 28 10.150 4.781 5.418 1.00 0.00 C ATOM 20 C GLN A 28 9.900 4.423 6.889 1.00 0.00 C ATOM 21 O GLN A 28 9.988 5.269 7.762 1.00 0.00 O ATOM 22 CB GLN A 28 11.580 4.411 4.997 1.00 0.00 C ATOM 23 CG GLN A 28 12.601 5.183 5.850 1.00 0.00 C ATOM 24 CD GLN A 28 14.021 4.781 5.442 1.00 0.00 C ATOM 25 OE1 GLN A 28 14.234 3.724 4.879 1.00 0.00 O ATOM 26 NE2 GLN A 28 15.014 5.586 5.707 1.00 0.00 N ATOM 0 H GLN A 28 10.369 6.823 6.003 1.00 0.00 H new ATOM 0 HA GLN A 28 9.408 4.235 4.835 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.735 3.338 5.113 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.728 4.642 3.942 1.00 0.00 H new ATOM 0 HG2 GLN A 28 12.464 6.256 5.717 1.00 0.00 H new ATOM 0 HG3 GLN A 28 12.442 4.970 6.907 1.00 0.00 H new ATOM 0 HE21 GLN A 28 14.839 6.473 6.179 1.00 0.00 H new ATOM 0 HE22 GLN A 28 15.965 5.328 5.442 1.00 0.00 H new ATOM 35 N GLN A 29 9.594 3.177 7.163 1.00 0.00 N ATOM 36 CA GLN A 29 9.338 2.743 8.573 1.00 0.00 C ATOM 37 C GLN A 29 10.392 1.705 9.004 1.00 0.00 C ATOM 38 O GLN A 29 10.931 1.012 8.166 1.00 0.00 O ATOM 39 CB GLN A 29 7.942 2.120 8.549 1.00 0.00 C ATOM 40 CG GLN A 29 6.883 3.219 8.690 1.00 0.00 C ATOM 41 CD GLN A 29 6.933 4.147 7.473 1.00 0.00 C ATOM 42 OE1 GLN A 29 7.058 3.696 6.354 1.00 0.00 O ATOM 43 NE2 GLN A 29 6.845 5.438 7.650 1.00 0.00 N ATOM 0 H GLN A 29 9.510 2.438 6.465 1.00 0.00 H new ATOM 0 HA GLN A 29 9.399 3.570 9.281 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.792 1.575 7.617 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.841 1.398 9.360 1.00 0.00 H new ATOM 0 HG2 GLN A 29 5.892 2.773 8.778 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.058 3.790 9.602 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.740 5.818 8.591 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.881 6.066 6.847 1.00 0.00 H new ATOM 52 N PRO A 30 10.672 1.623 10.300 1.00 0.00 N ATOM 53 CA PRO A 30 11.681 0.656 10.783 1.00 0.00 C ATOM 54 C PRO A 30 11.070 -0.739 11.006 1.00 0.00 C ATOM 55 O PRO A 30 11.324 -1.656 10.244 1.00 0.00 O ATOM 56 CB PRO A 30 12.156 1.267 12.097 1.00 0.00 C ATOM 57 CG PRO A 30 11.036 2.147 12.576 1.00 0.00 C ATOM 58 CD PRO A 30 10.101 2.401 11.416 1.00 0.00 C ATOM 0 HA PRO A 30 12.489 0.500 10.068 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.382 0.491 12.828 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.070 1.843 11.951 1.00 0.00 H new ATOM 0 HG2 PRO A 30 10.501 1.668 13.396 1.00 0.00 H new ATOM 0 HG3 PRO A 30 11.430 3.088 12.959 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.086 2.077 11.647 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.049 3.462 11.174 1.00 0.00 H new ATOM 66 N GLU A 31 10.279 -0.907 12.045 1.00 0.00 N ATOM 67 CA GLU A 31 9.660 -2.237 12.329 1.00 0.00 C ATOM 68 C GLU A 31 8.142 -2.156 12.176 1.00 0.00 C ATOM 69 O GLU A 31 7.495 -1.325 12.790 1.00 0.00 O ATOM 70 CB GLU A 31 10.037 -2.547 13.780 1.00 0.00 C ATOM 71 CG GLU A 31 11.559 -2.647 13.902 1.00 0.00 C ATOM 72 CD GLU A 31 11.940 -3.044 15.333 1.00 0.00 C ATOM 73 OE1 GLU A 31 11.220 -2.673 16.247 1.00 0.00 O ATOM 74 OE2 GLU A 31 12.949 -3.713 15.490 1.00 0.00 O ATOM 0 H GLU A 31 10.037 -0.172 12.710 1.00 0.00 H new ATOM 0 HA GLU A 31 10.007 -3.010 11.643 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.659 -1.766 14.440 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.574 -3.482 14.095 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.942 -3.384 13.196 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.017 -1.692 13.646 1.00 0.00 H new ATOM 81 N THR A 32 7.578 -3.011 11.362 1.00 0.00 N ATOM 82 CA THR A 32 6.101 -3.001 11.149 1.00 0.00 C ATOM 83 C THR A 32 5.656 -4.361 10.585 1.00 0.00 C ATOM 84 O THR A 32 6.415 -5.030 9.897 1.00 0.00 O ATOM 85 CB THR A 32 5.879 -1.850 10.151 1.00 0.00 C ATOM 86 OG1 THR A 32 6.204 -0.619 10.781 1.00 0.00 O ATOM 87 CG2 THR A 32 4.417 -1.803 9.683 1.00 0.00 C ATOM 0 H THR A 32 8.083 -3.721 10.832 1.00 0.00 H new ATOM 0 HA THR A 32 5.520 -2.851 12.059 1.00 0.00 H new ATOM 0 HB THR A 32 6.517 -2.015 9.283 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.175 -0.732 11.754 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.287 -0.981 8.979 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.161 -2.743 9.195 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.764 -1.651 10.543 1.00 0.00 H new ATOM 95 N GLU A 33 4.438 -4.773 10.877 1.00 0.00 N ATOM 96 CA GLU A 33 3.950 -6.091 10.363 1.00 0.00 C ATOM 97 C GLU A 33 2.899 -5.894 9.264 1.00 0.00 C ATOM 98 O GLU A 33 2.127 -4.949 9.270 1.00 0.00 O ATOM 99 CB GLU A 33 3.349 -6.803 11.583 1.00 0.00 C ATOM 100 CG GLU A 33 2.212 -5.961 12.187 1.00 0.00 C ATOM 101 CD GLU A 33 1.020 -6.859 12.535 1.00 0.00 C ATOM 102 OE1 GLU A 33 0.784 -7.807 11.804 1.00 0.00 O ATOM 103 OE2 GLU A 33 0.366 -6.584 13.526 1.00 0.00 O ATOM 0 H GLU A 33 3.769 -4.254 11.445 1.00 0.00 H new ATOM 0 HA GLU A 33 4.753 -6.674 9.912 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.970 -7.782 11.291 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.123 -6.972 12.332 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.565 -5.448 13.082 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.903 -5.191 11.479 1.00 0.00 H new ATOM 110 N ALA A 34 2.889 -6.790 8.313 1.00 0.00 N ATOM 111 CA ALA A 34 1.930 -6.707 7.177 1.00 0.00 C ATOM 112 C ALA A 34 0.885 -7.836 7.181 1.00 0.00 C ATOM 113 O ALA A 34 1.214 -9.039 7.154 1.00 0.00 O ATOM 114 CB ALA A 34 2.802 -6.821 5.940 1.00 0.00 C ATOM 0 H ALA A 34 3.519 -7.591 8.277 1.00 0.00 H new ATOM 0 HA ALA A 34 1.354 -5.783 7.230 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.177 -6.770 5.048 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.522 -6.003 5.926 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.334 -7.772 5.956 1.00 0.00 H new ATOM 120 N VAL A 35 -0.370 -7.434 7.151 1.00 0.00 N ATOM 121 CA VAL A 35 -1.510 -8.398 7.090 1.00 0.00 C ATOM 122 C VAL A 35 -2.322 -8.071 5.816 1.00 0.00 C ATOM 123 O VAL A 35 -2.532 -6.910 5.505 1.00 0.00 O ATOM 124 CB VAL A 35 -2.310 -8.119 8.369 1.00 0.00 C ATOM 125 CG1 VAL A 35 -3.656 -8.876 8.366 1.00 0.00 C ATOM 126 CG2 VAL A 35 -1.484 -8.531 9.597 1.00 0.00 C ATOM 0 H VAL A 35 -0.651 -6.454 7.167 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.223 -9.448 7.039 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.523 -7.051 8.410 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.199 -8.657 9.286 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.250 -8.558 7.509 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.470 -9.948 8.301 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.055 -8.331 10.503 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.254 -9.595 9.540 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.556 -7.959 9.620 1.00 0.00 H new ATOM 136 N LEU A 36 -2.730 -9.070 5.052 1.00 0.00 N ATOM 137 CA LEU A 36 -3.464 -8.789 3.767 1.00 0.00 C ATOM 138 C LEU A 36 -4.818 -9.525 3.612 1.00 0.00 C ATOM 139 O LEU A 36 -4.903 -10.735 3.654 1.00 0.00 O ATOM 140 CB LEU A 36 -2.487 -9.240 2.656 1.00 0.00 C ATOM 141 CG LEU A 36 -1.918 -8.021 1.920 1.00 0.00 C ATOM 142 CD1 LEU A 36 -0.603 -8.402 1.240 1.00 0.00 C ATOM 143 CD2 LEU A 36 -2.922 -7.556 0.862 1.00 0.00 C ATOM 0 H LEU A 36 -2.587 -10.058 5.262 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.735 -7.734 3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.675 -9.822 3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.003 -9.891 1.950 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.737 -7.216 2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.199 -7.535 0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.111 -8.738 1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.782 -9.206 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.521 -6.689 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.100 -8.362 0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.861 -7.285 1.345 1.00 0.00 H new ATOM 155 N ASN A 37 -5.862 -8.754 3.340 1.00 0.00 N ATOM 156 CA ASN A 37 -7.269 -9.270 3.056 1.00 0.00 C ATOM 157 C ASN A 37 -7.961 -9.959 4.244 1.00 0.00 C ATOM 158 O ASN A 37 -8.994 -10.565 4.053 1.00 0.00 O ATOM 159 CB ASN A 37 -7.104 -10.293 1.903 1.00 0.00 C ATOM 160 CG ASN A 37 -8.390 -10.415 1.081 1.00 0.00 C ATOM 161 OD1 ASN A 37 -8.321 -10.343 -0.220 1.00 0.00 O flip ATOM 162 ND2 ASN A 37 -9.464 -10.592 1.619 1.00 0.00 N flip ATOM 0 H ASN A 37 -5.795 -7.737 3.301 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.908 -8.420 2.819 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.283 -9.985 1.255 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.838 -11.267 2.313 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.522 -10.649 2.636 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.308 -10.684 1.054 1.00 0.00 H new ATOM 169 N GLY A 38 -7.473 -9.816 5.454 1.00 0.00 N ATOM 170 CA GLY A 38 -8.160 -10.451 6.635 1.00 0.00 C ATOM 171 C GLY A 38 -7.236 -11.513 7.231 1.00 0.00 C ATOM 172 O GLY A 38 -7.183 -11.697 8.433 1.00 0.00 O ATOM 0 H GLY A 38 -6.630 -9.288 5.679 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.399 -9.696 7.384 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.103 -10.902 6.325 1.00 0.00 H new ATOM 176 N LYS A 39 -6.480 -12.178 6.393 1.00 0.00 N ATOM 177 CA LYS A 39 -5.509 -13.199 6.883 1.00 0.00 C ATOM 178 C LYS A 39 -4.165 -12.494 6.933 1.00 0.00 C ATOM 179 O LYS A 39 -3.797 -11.834 5.969 1.00 0.00 O ATOM 180 CB LYS A 39 -5.514 -14.315 5.835 1.00 0.00 C ATOM 181 CG LYS A 39 -4.732 -15.518 6.366 1.00 0.00 C ATOM 182 CD LYS A 39 -4.691 -16.613 5.299 1.00 0.00 C ATOM 183 CE LYS A 39 -4.062 -17.876 5.887 1.00 0.00 C ATOM 184 NZ LYS A 39 -3.765 -18.741 4.711 1.00 0.00 N ATOM 0 H LYS A 39 -6.496 -12.054 5.381 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.740 -13.618 7.862 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.539 -14.607 5.604 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.067 -13.959 4.907 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.719 -15.217 6.632 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.201 -15.898 7.274 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.699 -16.828 4.944 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.115 -16.275 4.438 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.155 -17.643 6.445 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.743 -18.371 6.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.330 -19.629 5.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.648 -18.952 4.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.109 -18.247 4.073 1.00 0.00 H new ATOM 198 N GLY A 40 -3.472 -12.545 8.054 1.00 0.00 N ATOM 199 CA GLY A 40 -2.204 -11.771 8.151 1.00 0.00 C ATOM 200 C GLY A 40 -1.021 -12.453 7.492 1.00 0.00 C ATOM 201 O GLY A 40 -0.444 -13.389 8.017 1.00 0.00 O ATOM 0 H GLY A 40 -3.729 -13.079 8.884 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.350 -10.793 7.692 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.973 -11.599 9.202 1.00 0.00 H new ATOM 205 N LEU A 41 -0.602 -11.898 6.382 1.00 0.00 N ATOM 206 CA LEU A 41 0.609 -12.385 5.698 1.00 0.00 C ATOM 207 C LEU A 41 1.550 -11.186 5.487 1.00 0.00 C ATOM 208 O LEU A 41 1.249 -10.294 4.710 1.00 0.00 O ATOM 209 CB LEU A 41 0.093 -12.965 4.358 1.00 0.00 C ATOM 210 CG LEU A 41 1.244 -13.234 3.360 1.00 0.00 C ATOM 211 CD1 LEU A 41 2.280 -14.175 3.982 1.00 0.00 C ATOM 212 CD2 LEU A 41 0.676 -13.866 2.088 1.00 0.00 C ATOM 0 H LEU A 41 -1.065 -11.114 5.922 1.00 0.00 H new ATOM 0 HA LEU A 41 1.167 -13.140 6.251 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.446 -13.893 4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.618 -12.270 3.912 1.00 0.00 H new ATOM 0 HG LEU A 41 1.730 -12.289 3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.083 -14.355 3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.691 -13.719 4.883 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.804 -15.122 4.239 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.486 -14.056 1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.184 -14.806 2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.046 -13.187 1.636 1.00 0.00 H new ATOM 224 N GLY A 42 2.684 -11.185 6.129 1.00 0.00 N ATOM 225 CA GLY A 42 3.668 -10.088 5.941 1.00 0.00 C ATOM 226 C GLY A 42 4.269 -9.660 7.280 1.00 0.00 C ATOM 227 O GLY A 42 3.572 -9.259 8.182 1.00 0.00 O ATOM 0 H GLY A 42 2.973 -11.910 6.786 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.462 -10.417 5.270 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.182 -9.235 5.467 1.00 0.00 H new ATOM 231 N THR A 43 5.569 -9.743 7.398 1.00 0.00 N ATOM 232 CA THR A 43 6.268 -9.314 8.644 1.00 0.00 C ATOM 233 C THR A 43 7.605 -8.693 8.229 1.00 0.00 C ATOM 234 O THR A 43 8.458 -9.394 7.720 1.00 0.00 O ATOM 235 CB THR A 43 6.455 -10.596 9.472 1.00 0.00 C ATOM 236 OG1 THR A 43 7.148 -10.286 10.672 1.00 0.00 O ATOM 237 CG2 THR A 43 7.247 -11.644 8.682 1.00 0.00 C ATOM 0 H THR A 43 6.187 -10.097 6.668 1.00 0.00 H new ATOM 0 HA THR A 43 5.724 -8.574 9.231 1.00 0.00 H new ATOM 0 HB THR A 43 5.472 -11.006 9.704 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.267 -11.102 11.201 1.00 0.00 H new ATOM 0 HG21 THR A 43 7.367 -12.542 9.288 1.00 0.00 H new ATOM 0 HG22 THR A 43 6.710 -11.893 7.767 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.229 -11.243 8.429 1.00 0.00 H new ATOM 245 N GLY A 44 7.798 -7.390 8.399 1.00 0.00 N ATOM 246 CA GLY A 44 9.092 -6.782 7.949 1.00 0.00 C ATOM 247 C GLY A 44 9.088 -5.268 8.053 1.00 0.00 C ATOM 248 O GLY A 44 8.738 -4.687 9.066 1.00 0.00 O ATOM 0 H GLY A 44 7.129 -6.745 8.819 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.907 -7.183 8.552 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.287 -7.072 6.916 1.00 0.00 H new ATOM 252 N THR A 45 9.536 -4.640 7.003 1.00 0.00 N ATOM 253 CA THR A 45 9.642 -3.143 6.995 1.00 0.00 C ATOM 254 C THR A 45 8.748 -2.504 5.924 1.00 0.00 C ATOM 255 O THR A 45 8.555 -3.050 4.853 1.00 0.00 O ATOM 256 CB THR A 45 11.116 -2.869 6.692 1.00 0.00 C ATOM 257 OG1 THR A 45 11.928 -3.693 7.518 1.00 0.00 O ATOM 258 CG2 THR A 45 11.434 -1.402 6.969 1.00 0.00 C ATOM 0 H THR A 45 9.837 -5.096 6.142 1.00 0.00 H new ATOM 0 HA THR A 45 9.312 -2.716 7.942 1.00 0.00 H new ATOM 0 HB THR A 45 11.317 -3.090 5.644 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.873 -3.520 7.324 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.485 -1.210 6.752 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.812 -0.769 6.336 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.233 -1.178 8.017 1.00 0.00 H new ATOM 266 N LEU A 46 8.209 -1.343 6.218 1.00 0.00 N ATOM 267 CA LEU A 46 7.323 -0.635 5.240 1.00 0.00 C ATOM 268 C LEU A 46 8.011 0.624 4.696 1.00 0.00 C ATOM 269 O LEU A 46 8.361 1.518 5.446 1.00 0.00 O ATOM 270 CB LEU A 46 6.079 -0.242 6.051 1.00 0.00 C ATOM 271 CG LEU A 46 4.943 0.191 5.113 1.00 0.00 C ATOM 272 CD1 LEU A 46 3.615 0.146 5.868 1.00 0.00 C ATOM 273 CD2 LEU A 46 5.191 1.616 4.612 1.00 0.00 C ATOM 0 H LEU A 46 8.347 -0.852 7.102 1.00 0.00 H new ATOM 0 HA LEU A 46 7.084 -1.262 4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.754 -1.085 6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.325 0.571 6.735 1.00 0.00 H new ATOM 0 HG LEU A 46 4.907 -0.488 4.261 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.808 0.453 5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.430 -0.869 6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.659 0.822 6.722 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.380 1.914 3.947 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.234 2.298 5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.136 1.652 4.070 1.00 0.00 H new ATOM 285 N TYR A 47 8.172 0.710 3.396 1.00 0.00 N ATOM 286 CA TYR A 47 8.799 1.922 2.784 1.00 0.00 C ATOM 287 C TYR A 47 7.750 2.685 1.968 1.00 0.00 C ATOM 288 O TYR A 47 7.121 2.124 1.086 1.00 0.00 O ATOM 289 CB TYR A 47 9.909 1.404 1.864 1.00 0.00 C ATOM 290 CG TYR A 47 10.943 0.662 2.674 1.00 0.00 C ATOM 291 CD1 TYR A 47 10.808 -0.714 2.888 1.00 0.00 C ATOM 292 CD2 TYR A 47 12.039 1.349 3.210 1.00 0.00 C ATOM 293 CE1 TYR A 47 11.767 -1.403 3.634 1.00 0.00 C ATOM 294 CE2 TYR A 47 12.999 0.659 3.958 1.00 0.00 C ATOM 295 CZ TYR A 47 12.864 -0.718 4.171 1.00 0.00 C ATOM 296 OH TYR A 47 13.810 -1.401 4.908 1.00 0.00 O ATOM 0 H TYR A 47 7.894 -0.012 2.731 1.00 0.00 H new ATOM 0 HA TYR A 47 9.195 2.601 3.539 1.00 0.00 H new ATOM 0 HB2 TYR A 47 9.487 0.745 1.106 1.00 0.00 H new ATOM 0 HB3 TYR A 47 10.376 2.237 1.338 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.962 -1.244 2.476 1.00 0.00 H new ATOM 0 HD2 TYR A 47 12.143 2.411 3.046 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.662 -2.466 3.797 1.00 0.00 H new ATOM 0 HE2 TYR A 47 13.845 1.189 4.371 1.00 0.00 H new ATOM 0 HH TYR A 47 14.505 -0.778 5.206 1.00 0.00 H new ATOM 306 N ILE A 48 7.564 3.953 2.251 1.00 0.00 N ATOM 307 CA ILE A 48 6.556 4.763 1.491 1.00 0.00 C ATOM 308 C ILE A 48 7.252 5.472 0.325 1.00 0.00 C ATOM 309 O ILE A 48 8.246 6.151 0.513 1.00 0.00 O ATOM 310 CB ILE A 48 5.999 5.776 2.501 1.00 0.00 C ATOM 311 CG1 ILE A 48 5.343 5.026 3.667 1.00 0.00 C ATOM 312 CG2 ILE A 48 4.951 6.665 1.820 1.00 0.00 C ATOM 313 CD1 ILE A 48 4.929 6.024 4.750 1.00 0.00 C ATOM 0 H ILE A 48 8.067 4.463 2.977 1.00 0.00 H new ATOM 0 HA ILE A 48 5.757 4.153 1.069 1.00 0.00 H new ATOM 0 HB ILE A 48 6.814 6.396 2.873 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.472 4.475 3.314 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.038 4.294 4.079 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.559 7.382 2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.412 7.200 0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.137 6.045 1.445 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.463 5.490 5.578 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.810 6.555 5.111 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.219 6.739 4.334 1.00 0.00 H new ATOM 325 N ALA A 49 6.739 5.310 -0.874 1.00 0.00 N ATOM 326 CA ALA A 49 7.364 5.961 -2.062 1.00 0.00 C ATOM 327 C ALA A 49 6.332 6.797 -2.816 1.00 0.00 C ATOM 328 O ALA A 49 5.146 6.735 -2.544 1.00 0.00 O ATOM 329 CB ALA A 49 7.864 4.806 -2.928 1.00 0.00 C ATOM 0 H ALA A 49 5.910 4.751 -1.077 1.00 0.00 H new ATOM 0 HA ALA A 49 8.171 6.639 -1.784 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.339 5.203 -3.825 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.588 4.216 -2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.023 4.174 -3.212 1.00 0.00 H new ATOM 335 N GLU A 50 6.783 7.581 -3.763 1.00 0.00 N ATOM 336 CA GLU A 50 5.849 8.452 -4.557 1.00 0.00 C ATOM 337 C GLU A 50 4.692 7.641 -5.165 1.00 0.00 C ATOM 338 O GLU A 50 4.851 6.951 -6.149 1.00 0.00 O ATOM 339 CB GLU A 50 6.705 9.059 -5.670 1.00 0.00 C ATOM 340 CG GLU A 50 7.758 9.987 -5.058 1.00 0.00 C ATOM 341 CD GLU A 50 8.535 10.699 -6.170 1.00 0.00 C ATOM 342 OE1 GLU A 50 8.703 10.108 -7.226 1.00 0.00 O ATOM 343 OE2 GLU A 50 8.950 11.824 -5.947 1.00 0.00 O ATOM 0 H GLU A 50 7.766 7.659 -4.025 1.00 0.00 H new ATOM 0 HA GLU A 50 5.391 9.210 -3.922 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.190 8.268 -6.242 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.076 9.615 -6.365 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.277 10.721 -4.411 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.443 9.413 -4.434 1.00 0.00 H new ATOM 350 N SER A 51 3.525 7.742 -4.574 1.00 0.00 N ATOM 351 CA SER A 51 2.320 7.011 -5.086 1.00 0.00 C ATOM 352 C SER A 51 2.587 5.508 -5.223 1.00 0.00 C ATOM 353 O SER A 51 2.118 4.870 -6.149 1.00 0.00 O ATOM 354 CB SER A 51 1.989 7.650 -6.446 1.00 0.00 C ATOM 355 OG SER A 51 2.755 7.039 -7.479 1.00 0.00 O ATOM 0 H SER A 51 3.353 8.310 -3.744 1.00 0.00 H new ATOM 0 HA SER A 51 1.483 7.096 -4.393 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.926 7.539 -6.658 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.198 8.719 -6.413 1.00 0.00 H new ATOM 0 HG SER A 51 3.697 7.290 -7.380 1.00 0.00 H new ATOM 361 N ARG A 52 3.319 4.944 -4.295 1.00 0.00 N ATOM 362 CA ARG A 52 3.609 3.477 -4.337 1.00 0.00 C ATOM 363 C ARG A 52 4.234 3.045 -3.008 1.00 0.00 C ATOM 364 O ARG A 52 4.907 3.826 -2.357 1.00 0.00 O ATOM 365 CB ARG A 52 4.577 3.285 -5.510 1.00 0.00 C ATOM 366 CG ARG A 52 5.852 4.105 -5.291 1.00 0.00 C ATOM 367 CD ARG A 52 6.559 4.311 -6.631 1.00 0.00 C ATOM 368 NE ARG A 52 7.732 5.172 -6.319 1.00 0.00 N ATOM 369 CZ ARG A 52 8.932 4.788 -6.659 1.00 0.00 C ATOM 370 NH1 ARG A 52 9.416 3.669 -6.196 1.00 0.00 N ATOM 371 NH2 ARG A 52 9.648 5.527 -7.462 1.00 0.00 N ATOM 0 H ARG A 52 3.731 5.440 -3.505 1.00 0.00 H new ATOM 0 HA ARG A 52 2.714 2.871 -4.476 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.829 2.230 -5.612 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.096 3.590 -6.440 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.606 5.069 -4.845 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.513 3.591 -4.594 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.871 3.360 -7.063 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.900 4.789 -7.356 1.00 0.00 H new ATOM 0 HE ARG A 52 7.598 6.062 -5.839 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.856 3.093 -5.567 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.354 3.370 -6.463 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.269 6.403 -7.823 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.586 5.229 -7.729 1.00 0.00 H new ATOM 385 N LEU A 53 4.008 1.815 -2.600 1.00 0.00 N ATOM 386 CA LEU A 53 4.581 1.339 -1.302 1.00 0.00 C ATOM 387 C LEU A 53 5.524 0.160 -1.526 1.00 0.00 C ATOM 388 O LEU A 53 5.221 -0.749 -2.271 1.00 0.00 O ATOM 389 CB LEU A 53 3.371 0.902 -0.471 1.00 0.00 C ATOM 390 CG LEU A 53 2.976 2.020 0.497 1.00 0.00 C ATOM 391 CD1 LEU A 53 1.892 2.891 -0.142 1.00 0.00 C ATOM 392 CD2 LEU A 53 2.440 1.409 1.794 1.00 0.00 C ATOM 0 H LEU A 53 3.454 1.126 -3.109 1.00 0.00 H new ATOM 0 HA LEU A 53 5.164 2.116 -0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.534 0.664 -1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.608 -0.005 0.084 1.00 0.00 H new ATOM 0 HG LEU A 53 3.850 2.632 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.611 3.687 0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.274 3.328 -1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.018 2.279 -0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.159 2.206 2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.567 0.795 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.212 0.790 2.251 1.00 0.00 H new ATOM 404 N SER A 54 6.654 0.173 -0.864 1.00 0.00 N ATOM 405 CA SER A 54 7.630 -0.947 -0.998 1.00 0.00 C ATOM 406 C SER A 54 7.785 -1.625 0.361 1.00 0.00 C ATOM 407 O SER A 54 8.049 -0.967 1.350 1.00 0.00 O ATOM 408 CB SER A 54 8.940 -0.293 -1.436 1.00 0.00 C ATOM 409 OG SER A 54 8.835 0.100 -2.798 1.00 0.00 O ATOM 0 H SER A 54 6.943 0.919 -0.231 1.00 0.00 H new ATOM 0 HA SER A 54 7.316 -1.706 -1.714 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.154 0.574 -0.811 1.00 0.00 H new ATOM 0 HB3 SER A 54 9.768 -0.990 -1.309 1.00 0.00 H new ATOM 0 HG SER A 54 9.673 0.522 -3.082 1.00 0.00 H new ATOM 415 N TRP A 55 7.597 -2.926 0.425 1.00 0.00 N ATOM 416 CA TRP A 55 7.709 -3.638 1.737 1.00 0.00 C ATOM 417 C TRP A 55 8.830 -4.672 1.723 1.00 0.00 C ATOM 418 O TRP A 55 9.030 -5.368 0.744 1.00 0.00 O ATOM 419 CB TRP A 55 6.346 -4.329 1.940 1.00 0.00 C ATOM 420 CG TRP A 55 5.825 -4.038 3.310 1.00 0.00 C ATOM 421 CD1 TRP A 55 5.272 -2.872 3.677 1.00 0.00 C ATOM 422 CD2 TRP A 55 5.799 -4.894 4.493 1.00 0.00 C ATOM 423 NE1 TRP A 55 4.918 -2.942 5.007 1.00 0.00 N ATOM 424 CE2 TRP A 55 5.214 -4.167 5.553 1.00 0.00 C ATOM 425 CE3 TRP A 55 6.218 -6.212 4.749 1.00 0.00 C ATOM 426 CZ2 TRP A 55 5.048 -4.717 6.821 1.00 0.00 C ATOM 427 CZ3 TRP A 55 6.048 -6.775 6.030 1.00 0.00 C ATOM 428 CH2 TRP A 55 5.464 -6.024 7.061 1.00 0.00 C ATOM 0 H TRP A 55 7.372 -3.521 -0.373 1.00 0.00 H new ATOM 0 HA TRP A 55 7.948 -2.943 2.542 1.00 0.00 H new ATOM 0 HB2 TRP A 55 5.636 -3.979 1.190 1.00 0.00 H new ATOM 0 HB3 TRP A 55 6.450 -5.405 1.803 1.00 0.00 H new ATOM 0 HD1 TRP A 55 5.128 -2.017 3.034 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.488 -2.175 5.524 1.00 0.00 H new ATOM 0 HE3 TRP A 55 6.672 -6.795 3.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.600 -4.134 7.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 6.369 -7.789 6.219 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.337 -6.460 8.041 1.00 0.00 H new ATOM 439 N LEU A 56 9.525 -4.802 2.828 1.00 0.00 N ATOM 440 CA LEU A 56 10.601 -5.821 2.918 1.00 0.00 C ATOM 441 C LEU A 56 10.026 -7.047 3.619 1.00 0.00 C ATOM 442 O LEU A 56 9.443 -6.940 4.690 1.00 0.00 O ATOM 443 CB LEU A 56 11.732 -5.155 3.731 1.00 0.00 C ATOM 444 CG LEU A 56 12.934 -6.101 4.017 1.00 0.00 C ATOM 445 CD1 LEU A 56 12.581 -7.054 5.150 1.00 0.00 C ATOM 446 CD2 LEU A 56 13.342 -6.923 2.776 1.00 0.00 C ATOM 0 H LEU A 56 9.388 -4.242 3.669 1.00 0.00 H new ATOM 0 HA LEU A 56 10.986 -6.148 1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.090 -4.280 3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.326 -4.800 4.678 1.00 0.00 H new ATOM 0 HG LEU A 56 13.779 -5.472 4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.426 -7.714 5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.351 -6.482 6.049 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.713 -7.650 4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 56 14.185 -7.567 3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.501 -7.536 2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 56 13.629 -6.247 1.970 1.00 0.00 H new ATOM 458 N ASP A 57 10.177 -8.200 3.011 1.00 0.00 N ATOM 459 CA ASP A 57 9.628 -9.455 3.604 1.00 0.00 C ATOM 460 C ASP A 57 10.536 -9.994 4.707 1.00 0.00 C ATOM 461 O ASP A 57 11.740 -10.115 4.552 1.00 0.00 O ATOM 462 CB ASP A 57 9.540 -10.453 2.449 1.00 0.00 C ATOM 463 CG ASP A 57 8.666 -11.641 2.862 1.00 0.00 C ATOM 464 OD1 ASP A 57 8.706 -12.005 4.026 1.00 0.00 O ATOM 465 OD2 ASP A 57 7.970 -12.163 2.009 1.00 0.00 O ATOM 0 H ASP A 57 10.662 -8.323 2.122 1.00 0.00 H new ATOM 0 HA ASP A 57 8.657 -9.278 4.066 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.120 -9.968 1.568 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.537 -10.799 2.177 1.00 0.00 H new ATOM 470 N GLY A 58 9.932 -10.328 5.820 1.00 0.00 N ATOM 471 CA GLY A 58 10.662 -10.867 7.006 1.00 0.00 C ATOM 472 C GLY A 58 11.626 -12.009 6.643 1.00 0.00 C ATOM 473 O GLY A 58 12.541 -12.294 7.398 1.00 0.00 O ATOM 0 H GLY A 58 8.925 -10.245 5.958 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.223 -10.061 7.479 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.940 -11.226 7.739 1.00 0.00 H new ATOM 477 N SER A 59 11.436 -12.670 5.516 1.00 0.00 N ATOM 478 CA SER A 59 12.351 -13.797 5.137 1.00 0.00 C ATOM 479 C SER A 59 13.613 -13.287 4.417 1.00 0.00 C ATOM 480 O SER A 59 14.353 -14.069 3.847 1.00 0.00 O ATOM 481 CB SER A 59 11.526 -14.676 4.198 1.00 0.00 C ATOM 482 OG SER A 59 10.434 -15.236 4.918 1.00 0.00 O ATOM 0 H SER A 59 10.690 -12.476 4.848 1.00 0.00 H new ATOM 0 HA SER A 59 12.702 -14.335 6.018 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.159 -14.086 3.358 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.148 -15.469 3.783 1.00 0.00 H new ATOM 0 HG SER A 59 9.901 -15.799 4.318 1.00 0.00 H new ATOM 488 N GLY A 60 13.876 -11.989 4.445 1.00 0.00 N ATOM 489 CA GLY A 60 15.094 -11.448 3.775 1.00 0.00 C ATOM 490 C GLY A 60 14.830 -11.169 2.302 1.00 0.00 C ATOM 491 O GLY A 60 15.749 -11.158 1.499 1.00 0.00 O ATOM 0 H GLY A 60 13.293 -11.291 4.906 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.409 -10.530 4.272 1.00 0.00 H new ATOM 0 HA3 GLY A 60 15.913 -12.160 3.872 1.00 0.00 H new ATOM 495 N LEU A 61 13.592 -10.949 1.944 1.00 0.00 N ATOM 496 CA LEU A 61 13.261 -10.668 0.512 1.00 0.00 C ATOM 497 C LEU A 61 12.507 -9.348 0.393 1.00 0.00 C ATOM 498 O LEU A 61 11.463 -9.174 0.981 1.00 0.00 O ATOM 499 CB LEU A 61 12.372 -11.834 0.070 1.00 0.00 C ATOM 500 CG LEU A 61 13.146 -13.149 0.191 1.00 0.00 C ATOM 501 CD1 LEU A 61 12.213 -14.320 -0.118 1.00 0.00 C ATOM 502 CD2 LEU A 61 14.308 -13.150 -0.806 1.00 0.00 C ATOM 0 H LEU A 61 12.795 -10.951 2.580 1.00 0.00 H new ATOM 0 HA LEU A 61 14.155 -10.581 -0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 61 11.473 -11.872 0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.047 -11.686 -0.960 1.00 0.00 H new ATOM 0 HG LEU A 61 13.534 -13.250 1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.764 -15.257 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.383 -14.321 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.826 -14.219 -1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.860 -14.086 -0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.918 -13.050 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 61 14.974 -12.315 -0.589 1.00 0.00 H new ATOM 514 N GLY A 62 13.035 -8.423 -0.369 1.00 0.00 N ATOM 515 CA GLY A 62 12.361 -7.104 -0.540 1.00 0.00 C ATOM 516 C GLY A 62 11.325 -7.188 -1.659 1.00 0.00 C ATOM 517 O GLY A 62 11.650 -7.558 -2.777 1.00 0.00 O ATOM 0 H GLY A 62 13.910 -8.528 -0.882 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.879 -6.809 0.392 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.099 -6.337 -0.773 1.00 0.00 H new ATOM 521 N PHE A 63 10.086 -6.831 -1.376 1.00 0.00 N ATOM 522 CA PHE A 63 9.040 -6.872 -2.456 1.00 0.00 C ATOM 523 C PHE A 63 8.243 -5.561 -2.490 1.00 0.00 C ATOM 524 O PHE A 63 7.990 -4.945 -1.473 1.00 0.00 O ATOM 525 CB PHE A 63 8.186 -8.142 -2.199 1.00 0.00 C ATOM 526 CG PHE A 63 7.096 -7.957 -1.154 1.00 0.00 C ATOM 527 CD1 PHE A 63 7.411 -7.915 0.207 1.00 0.00 C ATOM 528 CD2 PHE A 63 5.757 -7.878 -1.565 1.00 0.00 C ATOM 529 CE1 PHE A 63 6.391 -7.796 1.160 1.00 0.00 C ATOM 530 CE2 PHE A 63 4.738 -7.749 -0.614 1.00 0.00 C ATOM 531 CZ PHE A 63 5.049 -7.711 0.748 1.00 0.00 C ATOM 0 H PHE A 63 9.760 -6.519 -0.461 1.00 0.00 H new ATOM 0 HA PHE A 63 9.473 -6.945 -3.454 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.726 -8.453 -3.137 1.00 0.00 H new ATOM 0 HB3 PHE A 63 8.844 -8.951 -1.883 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.442 -7.974 0.524 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.512 -7.917 -2.616 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.635 -7.770 2.212 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.709 -7.679 -0.934 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.262 -7.617 1.481 1.00 0.00 H new ATOM 541 N SER A 64 7.892 -5.120 -3.676 1.00 0.00 N ATOM 542 CA SER A 64 7.158 -3.827 -3.820 1.00 0.00 C ATOM 543 C SER A 64 5.642 -4.028 -3.837 1.00 0.00 C ATOM 544 O SER A 64 5.127 -4.929 -4.474 1.00 0.00 O ATOM 545 CB SER A 64 7.631 -3.261 -5.157 1.00 0.00 C ATOM 546 OG SER A 64 7.076 -4.031 -6.216 1.00 0.00 O ATOM 0 H SER A 64 8.085 -5.605 -4.553 1.00 0.00 H new ATOM 0 HA SER A 64 7.360 -3.162 -2.981 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.327 -2.219 -5.252 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.720 -3.281 -5.209 1.00 0.00 H new ATOM 0 HG SER A 64 6.264 -4.481 -5.902 1.00 0.00 H new ATOM 552 N LEU A 65 4.934 -3.168 -3.148 1.00 0.00 N ATOM 553 CA LEU A 65 3.446 -3.254 -3.111 1.00 0.00 C ATOM 554 C LEU A 65 2.832 -2.085 -3.890 1.00 0.00 C ATOM 555 O LEU A 65 2.789 -0.958 -3.417 1.00 0.00 O ATOM 556 CB LEU A 65 3.070 -3.161 -1.631 1.00 0.00 C ATOM 557 CG LEU A 65 2.914 -4.568 -1.047 1.00 0.00 C ATOM 558 CD1 LEU A 65 2.644 -4.460 0.453 1.00 0.00 C ATOM 559 CD2 LEU A 65 1.737 -5.280 -1.721 1.00 0.00 C ATOM 0 H LEU A 65 5.331 -2.402 -2.604 1.00 0.00 H new ATOM 0 HA LEU A 65 3.079 -4.174 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.838 -2.614 -1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.140 -2.605 -1.517 1.00 0.00 H new ATOM 0 HG LEU A 65 3.828 -5.137 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.532 -5.459 0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.478 -3.953 0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.729 -3.891 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.629 -6.281 -1.303 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.822 -4.714 -1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.921 -5.353 -2.793 1.00 0.00 H new ATOM 571 N GLU A 66 2.363 -2.355 -5.083 1.00 0.00 N ATOM 572 CA GLU A 66 1.744 -1.284 -5.924 1.00 0.00 C ATOM 573 C GLU A 66 0.278 -1.618 -6.234 1.00 0.00 C ATOM 574 O GLU A 66 -0.544 -0.731 -6.397 1.00 0.00 O ATOM 575 CB GLU A 66 2.572 -1.264 -7.210 1.00 0.00 C ATOM 576 CG GLU A 66 2.090 -0.126 -8.110 1.00 0.00 C ATOM 577 CD GLU A 66 2.417 1.218 -7.456 1.00 0.00 C ATOM 578 OE1 GLU A 66 1.584 1.710 -6.711 1.00 0.00 O ATOM 579 OE2 GLU A 66 3.494 1.731 -7.708 1.00 0.00 O ATOM 0 H GLU A 66 2.383 -3.279 -5.514 1.00 0.00 H new ATOM 0 HA GLU A 66 1.744 -0.318 -5.420 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.628 -1.132 -6.973 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.479 -2.217 -7.730 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.569 -0.193 -9.087 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.016 -0.210 -8.276 1.00 0.00 H new ATOM 586 N TYR A 67 -0.053 -2.887 -6.318 1.00 0.00 N ATOM 587 CA TYR A 67 -1.466 -3.294 -6.623 1.00 0.00 C ATOM 588 C TYR A 67 -2.448 -2.695 -5.596 1.00 0.00 C ATOM 589 O TYR A 67 -3.379 -2.017 -5.982 1.00 0.00 O ATOM 590 CB TYR A 67 -1.483 -4.824 -6.543 1.00 0.00 C ATOM 591 CG TYR A 67 -1.167 -5.401 -7.903 1.00 0.00 C ATOM 592 CD1 TYR A 67 -2.191 -5.581 -8.841 1.00 0.00 C ATOM 593 CD2 TYR A 67 0.149 -5.753 -8.225 1.00 0.00 C ATOM 594 CE1 TYR A 67 -1.897 -6.113 -10.102 1.00 0.00 C ATOM 595 CE2 TYR A 67 0.441 -6.285 -9.485 1.00 0.00 C ATOM 596 CZ TYR A 67 -0.581 -6.466 -10.425 1.00 0.00 C ATOM 597 OH TYR A 67 -0.292 -6.991 -11.668 1.00 0.00 O ATOM 0 H TYR A 67 0.597 -3.662 -6.188 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.778 -2.933 -7.603 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.753 -5.169 -5.811 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.460 -5.171 -6.207 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.206 -5.310 -8.592 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.938 -5.614 -7.501 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.686 -6.251 -10.826 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.456 -6.557 -9.733 1.00 0.00 H new ATOM 0 HH TYR A 67 0.668 -7.180 -11.728 1.00 0.00 H new ATOM 607 N PRO A 68 -2.234 -2.967 -4.316 1.00 0.00 N ATOM 608 CA PRO A 68 -3.156 -2.428 -3.279 1.00 0.00 C ATOM 609 C PRO A 68 -3.012 -0.909 -3.162 1.00 0.00 C ATOM 610 O PRO A 68 -1.969 -0.350 -3.448 1.00 0.00 O ATOM 611 CB PRO A 68 -2.717 -3.129 -1.996 1.00 0.00 C ATOM 612 CG PRO A 68 -1.292 -3.504 -2.230 1.00 0.00 C ATOM 613 CD PRO A 68 -1.148 -3.768 -3.705 1.00 0.00 C ATOM 0 HA PRO A 68 -4.206 -2.608 -3.510 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.815 -2.471 -1.133 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.329 -4.009 -1.797 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.624 -2.702 -1.914 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -1.025 -4.388 -1.651 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -0.169 -3.460 -4.073 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.256 -4.828 -3.934 1.00 0.00 H new ATOM 621 N THR A 69 -4.062 -0.247 -2.742 1.00 0.00 N ATOM 622 CA THR A 69 -4.026 1.236 -2.593 1.00 0.00 C ATOM 623 C THR A 69 -4.654 1.626 -1.256 1.00 0.00 C ATOM 624 O THR A 69 -5.164 0.783 -0.538 1.00 0.00 O ATOM 625 CB THR A 69 -4.856 1.772 -3.761 1.00 0.00 C ATOM 626 OG1 THR A 69 -4.538 1.048 -4.939 1.00 0.00 O ATOM 627 CG2 THR A 69 -4.546 3.255 -3.973 1.00 0.00 C ATOM 0 H THR A 69 -4.952 -0.679 -2.494 1.00 0.00 H new ATOM 0 HA THR A 69 -3.013 1.639 -2.605 1.00 0.00 H new ATOM 0 HB THR A 69 -5.916 1.653 -3.536 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.071 1.390 -5.687 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.138 3.635 -4.805 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.793 3.811 -3.069 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.486 3.377 -4.196 1.00 0.00 H new ATOM 635 N ILE A 70 -4.612 2.891 -0.917 1.00 0.00 N ATOM 636 CA ILE A 70 -5.202 3.347 0.381 1.00 0.00 C ATOM 637 C ILE A 70 -6.637 3.854 0.184 1.00 0.00 C ATOM 638 O ILE A 70 -6.864 4.953 -0.289 1.00 0.00 O ATOM 639 CB ILE A 70 -4.266 4.462 0.875 1.00 0.00 C ATOM 640 CG1 ILE A 70 -4.764 4.983 2.231 1.00 0.00 C ATOM 641 CG2 ILE A 70 -4.208 5.620 -0.144 1.00 0.00 C ATOM 642 CD1 ILE A 70 -3.620 5.693 2.956 1.00 0.00 C ATOM 0 H ILE A 70 -4.194 3.629 -1.484 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.275 2.538 1.107 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.261 4.054 0.985 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.598 5.670 2.085 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.135 4.156 2.836 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.540 6.397 0.226 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.836 5.247 -1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.207 6.035 -0.281 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.973 6.063 3.919 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.800 4.993 3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.270 6.530 2.352 1.00 0.00 H new ATOM 654 N SER A 71 -7.606 3.048 0.554 1.00 0.00 N ATOM 655 CA SER A 71 -9.039 3.454 0.403 1.00 0.00 C ATOM 656 C SER A 71 -9.666 3.713 1.779 1.00 0.00 C ATOM 657 O SER A 71 -9.902 4.855 2.135 1.00 0.00 O ATOM 658 CB SER A 71 -9.730 2.294 -0.319 1.00 0.00 C ATOM 659 OG SER A 71 -9.182 1.059 0.108 1.00 0.00 O ATOM 0 H SER A 71 -7.463 2.122 0.956 1.00 0.00 H new ATOM 0 HA SER A 71 -9.144 4.379 -0.163 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.801 2.315 -0.116 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.608 2.402 -1.397 1.00 0.00 H new ATOM 0 HG SER A 71 -9.812 0.613 0.712 1.00 0.00 H new ATOM 665 N LEU A 72 -9.926 2.676 2.566 1.00 0.00 N ATOM 666 CA LEU A 72 -10.521 2.903 3.922 1.00 0.00 C ATOM 667 C LEU A 72 -9.430 2.727 4.976 1.00 0.00 C ATOM 668 O LEU A 72 -9.201 1.632 5.415 1.00 0.00 O ATOM 669 CB LEU A 72 -11.635 1.840 4.061 1.00 0.00 C ATOM 670 CG LEU A 72 -12.432 1.996 5.377 1.00 0.00 C ATOM 671 CD1 LEU A 72 -13.706 1.158 5.284 1.00 0.00 C ATOM 672 CD2 LEU A 72 -11.636 1.503 6.589 1.00 0.00 C ATOM 0 H LEU A 72 -9.751 1.701 2.324 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.931 3.904 4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.317 1.918 3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.192 0.845 4.023 1.00 0.00 H new ATOM 0 HG LEU A 72 -12.651 3.056 5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -14.277 1.260 6.207 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.309 1.504 4.444 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.443 0.111 5.134 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.232 1.631 7.492 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.393 0.448 6.460 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.715 2.079 6.678 1.00 0.00 H new ATOM 684 N HIS A 73 -8.724 3.784 5.342 1.00 0.00 N ATOM 685 CA HIS A 73 -7.608 3.654 6.325 1.00 0.00 C ATOM 686 C HIS A 73 -7.988 4.203 7.708 1.00 0.00 C ATOM 687 O HIS A 73 -8.435 5.324 7.856 1.00 0.00 O ATOM 688 CB HIS A 73 -6.441 4.452 5.721 1.00 0.00 C ATOM 689 CG HIS A 73 -6.824 5.900 5.539 1.00 0.00 C ATOM 690 ND1 HIS A 73 -7.409 6.372 4.373 1.00 0.00 N ATOM 691 CD2 HIS A 73 -6.704 6.990 6.365 1.00 0.00 C ATOM 692 CE1 HIS A 73 -7.617 7.692 4.530 1.00 0.00 C ATOM 693 NE2 HIS A 73 -7.205 8.121 5.727 1.00 0.00 N ATOM 0 H HIS A 73 -8.881 4.730 4.995 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.352 2.607 6.489 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.569 4.380 6.371 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.158 4.022 4.760 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.284 6.973 7.360 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.063 8.328 3.780 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -7.248 9.072 6.094 1.00 0.00 H new ATOM 701 N ALA A 74 -7.800 3.388 8.714 1.00 0.00 N ATOM 702 CA ALA A 74 -8.121 3.777 10.112 1.00 0.00 C ATOM 703 C ALA A 74 -6.829 4.094 10.870 1.00 0.00 C ATOM 704 O ALA A 74 -5.912 3.286 10.908 1.00 0.00 O ATOM 705 CB ALA A 74 -8.795 2.537 10.712 1.00 0.00 C ATOM 0 H ALA A 74 -7.427 2.444 8.617 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.756 4.661 10.168 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.067 2.736 11.749 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.692 2.298 10.141 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.106 1.694 10.674 1.00 0.00 H new ATOM 711 N VAL A 75 -6.757 5.255 11.472 1.00 0.00 N ATOM 712 CA VAL A 75 -5.535 5.643 12.239 1.00 0.00 C ATOM 713 C VAL A 75 -5.915 6.023 13.674 1.00 0.00 C ATOM 714 O VAL A 75 -7.039 6.412 13.938 1.00 0.00 O ATOM 715 CB VAL A 75 -4.944 6.847 11.488 1.00 0.00 C ATOM 716 CG1 VAL A 75 -4.567 6.424 10.068 1.00 0.00 C ATOM 717 CG2 VAL A 75 -5.971 7.986 11.418 1.00 0.00 C ATOM 0 H VAL A 75 -7.499 5.955 11.464 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.815 4.828 12.308 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.059 7.196 12.021 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.148 7.276 9.534 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.828 5.624 10.111 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.456 6.070 9.546 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.540 8.832 10.884 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.862 7.641 10.893 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.242 8.294 12.428 1.00 0.00 H new ATOM 727 N SER A 76 -4.987 5.907 14.596 1.00 0.00 N ATOM 728 CA SER A 76 -5.282 6.254 16.020 1.00 0.00 C ATOM 729 C SER A 76 -4.387 7.404 16.488 1.00 0.00 C ATOM 730 O SER A 76 -3.210 7.450 16.179 1.00 0.00 O ATOM 731 CB SER A 76 -4.975 4.983 16.809 1.00 0.00 C ATOM 732 OG SER A 76 -5.680 3.892 16.229 1.00 0.00 O ATOM 0 H SER A 76 -4.035 5.585 14.420 1.00 0.00 H new ATOM 0 HA SER A 76 -6.312 6.582 16.156 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.903 4.785 16.800 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.268 5.108 17.852 1.00 0.00 H new ATOM 0 HG SER A 76 -5.606 3.108 16.812 1.00 0.00 H new ATOM 738 N ARG A 77 -4.944 8.327 17.236 1.00 0.00 N ATOM 739 CA ARG A 77 -4.144 9.483 17.744 1.00 0.00 C ATOM 740 C ARG A 77 -4.061 9.423 19.273 1.00 0.00 C ATOM 741 O ARG A 77 -3.024 9.688 19.854 1.00 0.00 O ATOM 742 CB ARG A 77 -4.915 10.724 17.295 1.00 0.00 C ATOM 743 CG ARG A 77 -4.938 10.783 15.765 1.00 0.00 C ATOM 744 CD ARG A 77 -5.636 12.068 15.313 1.00 0.00 C ATOM 745 NE ARG A 77 -5.767 11.934 13.835 1.00 0.00 N ATOM 746 CZ ARG A 77 -6.948 11.801 13.296 1.00 0.00 C ATOM 747 NH1 ARG A 77 -7.633 10.707 13.489 1.00 0.00 N ATOM 748 NH2 ARG A 77 -7.443 12.759 12.562 1.00 0.00 N ATOM 0 H ARG A 77 -5.925 8.328 17.517 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.122 9.484 17.366 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.933 10.694 17.684 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.446 11.622 17.698 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.921 10.752 15.374 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.459 9.913 15.365 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.611 12.176 15.788 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.053 12.949 15.580 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.935 11.946 13.245 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.245 9.957 14.061 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.556 10.602 13.068 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.907 13.613 12.409 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.366 12.654 12.141 1.00 0.00 H new ATOM 762 N ASP A 78 -5.147 9.070 19.915 1.00 0.00 N ATOM 763 CA ASP A 78 -5.157 8.978 21.408 1.00 0.00 C ATOM 764 C ASP A 78 -4.989 7.521 21.842 1.00 0.00 C ATOM 765 O ASP A 78 -5.577 6.623 21.264 1.00 0.00 O ATOM 766 CB ASP A 78 -6.529 9.510 21.830 1.00 0.00 C ATOM 767 CG ASP A 78 -6.663 10.973 21.402 1.00 0.00 C ATOM 768 OD1 ASP A 78 -6.301 11.835 22.185 1.00 0.00 O ATOM 769 OD2 ASP A 78 -7.126 11.206 20.297 1.00 0.00 O ATOM 0 H ASP A 78 -6.033 8.840 19.466 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.345 9.544 21.865 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.318 8.913 21.374 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.648 9.424 22.910 1.00 0.00 H new ATOM 774 N LEU A 79 -4.190 7.284 22.857 1.00 0.00 N ATOM 775 CA LEU A 79 -3.971 5.887 23.346 1.00 0.00 C ATOM 776 C LEU A 79 -5.064 5.496 24.341 1.00 0.00 C ATOM 777 O LEU A 79 -4.968 5.791 25.519 1.00 0.00 O ATOM 778 CB LEU A 79 -2.611 5.920 24.046 1.00 0.00 C ATOM 779 CG LEU A 79 -1.530 5.385 23.105 1.00 0.00 C ATOM 780 CD1 LEU A 79 -0.165 5.917 23.545 1.00 0.00 C ATOM 781 CD2 LEU A 79 -1.522 3.855 23.157 1.00 0.00 C ATOM 0 H LEU A 79 -3.679 8.003 23.369 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.000 5.160 22.534 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.372 6.940 24.347 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.645 5.319 24.955 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.738 5.713 22.087 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.607 5.537 22.876 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.171 7.006 23.511 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.043 5.587 24.563 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.752 3.472 22.487 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.313 3.527 24.175 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.495 3.475 22.846 1.00 0.00 H new ATOM 793 N ASN A 80 -6.095 4.828 23.876 1.00 0.00 N ATOM 794 CA ASN A 80 -7.201 4.401 24.792 1.00 0.00 C ATOM 795 C ASN A 80 -8.159 3.447 24.067 1.00 0.00 C ATOM 796 O ASN A 80 -8.620 2.472 24.636 1.00 0.00 O ATOM 797 CB ASN A 80 -7.918 5.698 25.203 1.00 0.00 C ATOM 798 CG ASN A 80 -8.462 6.420 23.965 1.00 0.00 C ATOM 799 OD1 ASN A 80 -7.746 6.631 23.005 1.00 0.00 O ATOM 800 ND2 ASN A 80 -9.706 6.812 23.949 1.00 0.00 N ATOM 0 H ASN A 80 -6.218 4.560 22.899 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.826 3.862 25.662 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.735 5.469 25.887 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.227 6.350 25.738 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.078 7.295 23.131 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.307 6.635 24.754 1.00 0.00 H new ATOM 807 N ALA A 81 -8.456 3.725 22.818 1.00 0.00 N ATOM 808 CA ALA A 81 -9.384 2.842 22.042 1.00 0.00 C ATOM 809 C ALA A 81 -8.685 1.539 21.659 1.00 0.00 C ATOM 810 O ALA A 81 -9.300 0.492 21.577 1.00 0.00 O ATOM 811 CB ALA A 81 -9.757 3.639 20.789 1.00 0.00 C ATOM 0 H ALA A 81 -8.094 4.527 22.303 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.265 2.570 22.624 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.437 3.051 20.173 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -10.245 4.569 21.081 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.855 3.865 20.220 1.00 0.00 H new ATOM 817 N TYR A 82 -7.406 1.612 21.434 1.00 0.00 N ATOM 818 CA TYR A 82 -6.620 0.396 21.056 1.00 0.00 C ATOM 819 C TYR A 82 -5.435 0.219 22.027 1.00 0.00 C ATOM 820 O TYR A 82 -4.944 1.196 22.561 1.00 0.00 O ATOM 821 CB TYR A 82 -6.121 0.667 19.625 1.00 0.00 C ATOM 822 CG TYR A 82 -6.432 -0.514 18.730 1.00 0.00 C ATOM 823 CD1 TYR A 82 -7.757 -0.794 18.377 1.00 0.00 C ATOM 824 CD2 TYR A 82 -5.395 -1.326 18.255 1.00 0.00 C ATOM 825 CE1 TYR A 82 -8.044 -1.887 17.550 1.00 0.00 C ATOM 826 CE2 TYR A 82 -5.683 -2.419 17.429 1.00 0.00 C ATOM 827 CZ TYR A 82 -7.008 -2.699 17.076 1.00 0.00 C ATOM 828 OH TYR A 82 -7.292 -3.776 16.260 1.00 0.00 O ATOM 0 H TYR A 82 -6.860 2.471 21.495 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.213 -0.517 21.105 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.595 1.566 19.231 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.047 0.852 19.636 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.557 -0.168 18.742 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.372 -1.109 18.526 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.066 -2.103 17.278 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -4.883 -3.046 17.064 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.459 -4.233 16.020 1.00 0.00 H new ATOM 838 N PRO A 83 -5.002 -1.014 22.240 1.00 0.00 N ATOM 839 CA PRO A 83 -3.863 -1.252 23.168 1.00 0.00 C ATOM 840 C PRO A 83 -2.553 -0.747 22.559 1.00 0.00 C ATOM 841 O PRO A 83 -1.629 -0.391 23.270 1.00 0.00 O ATOM 842 CB PRO A 83 -3.839 -2.770 23.334 1.00 0.00 C ATOM 843 CG PRO A 83 -4.487 -3.304 22.099 1.00 0.00 C ATOM 844 CD PRO A 83 -5.502 -2.280 21.663 1.00 0.00 C ATOM 0 HA PRO A 83 -3.974 -0.728 24.117 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -2.819 -3.140 23.436 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -4.380 -3.078 24.229 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -3.747 -3.473 21.316 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.966 -4.263 22.297 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -5.571 -2.224 20.577 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.498 -2.522 22.034 1.00 0.00 H new ATOM 852 N ARG A 84 -2.467 -0.717 21.247 1.00 0.00 N ATOM 853 CA ARG A 84 -1.217 -0.239 20.577 1.00 0.00 C ATOM 854 C ARG A 84 -1.552 0.469 19.262 1.00 0.00 C ATOM 855 O ARG A 84 -2.601 0.258 18.682 1.00 0.00 O ATOM 856 CB ARG A 84 -0.404 -1.507 20.309 1.00 0.00 C ATOM 857 CG ARG A 84 1.012 -1.127 19.874 1.00 0.00 C ATOM 858 CD ARG A 84 1.783 -0.571 21.073 1.00 0.00 C ATOM 859 NE ARG A 84 3.150 -0.289 20.554 1.00 0.00 N ATOM 860 CZ ARG A 84 4.197 -0.735 21.193 1.00 0.00 C ATOM 861 NH1 ARG A 84 4.527 -1.994 21.105 1.00 0.00 N ATOM 862 NH2 ARG A 84 4.911 0.078 21.921 1.00 0.00 N ATOM 0 H ARG A 84 -3.212 -1.004 20.612 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.671 0.478 21.190 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.366 -2.123 21.207 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.886 -2.103 19.534 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.526 -1.999 19.470 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.972 -0.384 19.078 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.313 0.333 21.460 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.812 -1.290 21.892 1.00 0.00 H new ATOM 0 HE ARG A 84 3.268 0.253 19.698 1.00 0.00 H new ATOM 0 HH11 ARG A 84 3.967 -2.630 20.537 1.00 0.00 H new ATOM 0 HH12 ARG A 84 5.345 -2.343 21.604 1.00 0.00 H new ATOM 0 HH21 ARG A 84 4.651 1.062 21.991 1.00 0.00 H new ATOM 0 HH22 ARG A 84 5.729 -0.270 22.421 1.00 0.00 H new ATOM 876 N GLU A 85 -0.659 1.310 18.790 1.00 0.00 N ATOM 877 CA GLU A 85 -0.903 2.044 17.501 1.00 0.00 C ATOM 878 C GLU A 85 -1.100 1.046 16.357 1.00 0.00 C ATOM 879 O GLU A 85 -0.579 -0.057 16.399 1.00 0.00 O ATOM 880 CB GLU A 85 0.352 2.889 17.269 1.00 0.00 C ATOM 881 CG GLU A 85 0.469 3.933 18.382 1.00 0.00 C ATOM 882 CD GLU A 85 1.874 4.537 18.373 1.00 0.00 C ATOM 883 OE1 GLU A 85 2.076 5.509 17.664 1.00 0.00 O ATOM 884 OE2 GLU A 85 2.725 4.016 19.075 1.00 0.00 O ATOM 0 H GLU A 85 0.231 1.521 19.242 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.800 2.662 17.544 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.237 2.252 17.257 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.300 3.380 16.297 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.275 4.716 18.239 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.266 3.473 19.349 1.00 0.00 H new ATOM 891 N HIS A 86 -1.856 1.417 15.347 1.00 0.00 N ATOM 892 CA HIS A 86 -2.103 0.480 14.201 1.00 0.00 C ATOM 893 C HIS A 86 -2.661 1.223 12.981 1.00 0.00 C ATOM 894 O HIS A 86 -3.533 2.064 13.112 1.00 0.00 O ATOM 895 CB HIS A 86 -3.137 -0.528 14.735 1.00 0.00 C ATOM 896 CG HIS A 86 -4.401 0.173 15.169 1.00 0.00 C ATOM 897 ND1 HIS A 86 -5.533 0.217 14.370 1.00 0.00 N ATOM 898 CD2 HIS A 86 -4.725 0.860 16.313 1.00 0.00 C ATOM 899 CE1 HIS A 86 -6.475 0.907 15.039 1.00 0.00 C ATOM 900 NE2 HIS A 86 -6.035 1.322 16.230 1.00 0.00 N ATOM 0 H HIS A 86 -2.311 2.326 15.267 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.183 0.000 13.868 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.370 -1.260 13.961 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.714 -1.077 15.576 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -5.634 -0.198 13.444 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -4.063 1.018 17.151 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -7.467 1.102 14.659 1.00 0.00 H new ATOM 908 N LEU A 87 -2.188 0.892 11.793 1.00 0.00 N ATOM 909 CA LEU A 87 -2.718 1.551 10.563 1.00 0.00 C ATOM 910 C LEU A 87 -3.502 0.513 9.761 1.00 0.00 C ATOM 911 O LEU A 87 -2.929 -0.307 9.064 1.00 0.00 O ATOM 912 CB LEU A 87 -1.497 2.042 9.782 1.00 0.00 C ATOM 913 CG LEU A 87 -1.939 3.101 8.770 1.00 0.00 C ATOM 914 CD1 LEU A 87 -0.726 3.917 8.321 1.00 0.00 C ATOM 915 CD2 LEU A 87 -2.566 2.411 7.558 1.00 0.00 C ATOM 0 H LEU A 87 -1.461 0.196 11.631 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.385 2.385 10.783 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.758 2.461 10.465 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.020 1.208 9.268 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.670 3.764 9.232 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.041 4.671 7.600 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.277 4.406 9.185 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.006 3.256 7.857 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.882 3.163 6.835 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.833 1.749 7.097 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.430 1.829 7.878 1.00 0.00 H new ATOM 927 N TYR A 88 -4.809 0.535 9.879 1.00 0.00 N ATOM 928 CA TYR A 88 -5.652 -0.463 9.149 1.00 0.00 C ATOM 929 C TYR A 88 -6.181 0.138 7.866 1.00 0.00 C ATOM 930 O TYR A 88 -6.916 1.091 7.935 1.00 0.00 O ATOM 931 CB TYR A 88 -6.849 -0.709 10.090 1.00 0.00 C ATOM 932 CG TYR A 88 -7.269 -2.153 10.056 1.00 0.00 C ATOM 933 CD1 TYR A 88 -6.686 -3.021 10.954 1.00 0.00 C ATOM 934 CD2 TYR A 88 -8.239 -2.621 9.149 1.00 0.00 C ATOM 935 CE1 TYR A 88 -7.045 -4.361 10.980 1.00 0.00 C ATOM 936 CE2 TYR A 88 -8.607 -3.969 9.165 1.00 0.00 C ATOM 937 CZ TYR A 88 -8.010 -4.844 10.084 1.00 0.00 C ATOM 938 OH TYR A 88 -8.371 -6.177 10.107 1.00 0.00 O ATOM 0 H TYR A 88 -5.328 1.202 10.450 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.092 -1.364 8.900 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.580 -0.428 11.108 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.685 -0.076 9.795 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.942 -2.654 11.645 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.696 -1.942 8.445 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.582 -5.031 11.689 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.349 -4.336 8.471 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.052 -6.343 9.422 1.00 0.00 H new ATOM 948 N VAL A 89 -5.887 -0.433 6.718 1.00 0.00 N ATOM 949 CA VAL A 89 -6.470 0.129 5.453 1.00 0.00 C ATOM 950 C VAL A 89 -7.082 -1.027 4.633 1.00 0.00 C ATOM 951 O VAL A 89 -6.461 -1.982 4.229 1.00 0.00 O ATOM 952 CB VAL A 89 -5.313 0.925 4.779 1.00 0.00 C ATOM 953 CG1 VAL A 89 -3.941 0.257 4.805 1.00 0.00 C ATOM 954 CG2 VAL A 89 -5.696 1.278 3.359 1.00 0.00 C ATOM 0 H VAL A 89 -5.282 -1.246 6.602 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.301 0.821 5.591 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.192 1.819 5.390 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.214 0.900 4.309 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.635 0.094 5.838 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.993 -0.700 4.287 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.884 1.835 2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.882 0.364 2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -6.598 1.890 3.367 1.00 0.00 H new ATOM 964 N MET A 90 -8.361 -0.893 4.389 1.00 0.00 N ATOM 965 CA MET A 90 -9.131 -1.938 3.664 1.00 0.00 C ATOM 966 C MET A 90 -9.437 -1.545 2.223 1.00 0.00 C ATOM 967 O MET A 90 -9.876 -0.444 1.949 1.00 0.00 O ATOM 968 CB MET A 90 -10.407 -2.049 4.495 1.00 0.00 C ATOM 969 CG MET A 90 -10.059 -2.628 5.875 1.00 0.00 C ATOM 970 SD MET A 90 -11.569 -2.789 6.864 1.00 0.00 S ATOM 971 CE MET A 90 -12.433 -3.952 5.780 1.00 0.00 C ATOM 0 H MET A 90 -8.913 -0.082 4.670 1.00 0.00 H new ATOM 0 HA MET A 90 -8.583 -2.876 3.572 1.00 0.00 H new ATOM 0 HB2 MET A 90 -10.871 -1.069 4.605 1.00 0.00 H new ATOM 0 HB3 MET A 90 -11.130 -2.689 3.990 1.00 0.00 H new ATOM 0 HG2 MET A 90 -9.580 -3.601 5.762 1.00 0.00 H new ATOM 0 HG3 MET A 90 -9.346 -1.979 6.384 1.00 0.00 H new ATOM 0 HE1 MET A 90 -12.831 -4.775 6.373 1.00 0.00 H new ATOM 0 HE2 MET A 90 -13.252 -3.439 5.275 1.00 0.00 H new ATOM 0 HE3 MET A 90 -11.737 -4.343 5.038 1.00 0.00 H new ATOM 981 N VAL A 91 -9.206 -2.460 1.308 1.00 0.00 N ATOM 982 CA VAL A 91 -9.475 -2.177 -0.136 1.00 0.00 C ATOM 983 C VAL A 91 -10.763 -2.873 -0.592 1.00 0.00 C ATOM 984 O VAL A 91 -11.028 -4.013 -0.244 1.00 0.00 O ATOM 985 CB VAL A 91 -8.258 -2.731 -0.891 1.00 0.00 C ATOM 986 CG1 VAL A 91 -7.002 -1.979 -0.438 1.00 0.00 C ATOM 987 CG2 VAL A 91 -8.096 -4.244 -0.623 1.00 0.00 C ATOM 0 H VAL A 91 -8.842 -3.393 1.503 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.615 -1.112 -0.323 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.405 -2.589 -1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.134 -2.367 -0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.116 -0.917 -0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.862 -2.117 0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.229 -4.619 -1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.956 -4.411 0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.990 -4.771 -0.958 1.00 0.00 H new ATOM 997 N ASN A 92 -11.560 -2.183 -1.371 1.00 0.00 N ATOM 998 CA ASN A 92 -12.842 -2.769 -1.869 1.00 0.00 C ATOM 999 C ASN A 92 -12.721 -3.119 -3.353 1.00 0.00 C ATOM 1000 O ASN A 92 -12.043 -2.439 -4.105 1.00 0.00 O ATOM 1001 CB ASN A 92 -13.888 -1.672 -1.659 1.00 0.00 C ATOM 1002 CG ASN A 92 -14.009 -1.355 -0.166 1.00 0.00 C ATOM 1003 OD1 ASN A 92 -13.698 -2.180 0.671 1.00 0.00 O ATOM 1004 ND2 ASN A 92 -14.452 -0.185 0.205 1.00 0.00 N ATOM 0 H ASN A 92 -11.375 -1.231 -1.685 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.106 -3.688 -1.347 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -13.604 -0.775 -2.209 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -14.852 -1.995 -2.052 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -14.537 0.037 1.197 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.713 0.508 -0.497 1.00 0.00 H new ATOM 1011 N ALA A 93 -13.374 -4.176 -3.772 1.00 0.00 N ATOM 1012 CA ALA A 93 -13.312 -4.592 -5.206 1.00 0.00 C ATOM 1013 C ALA A 93 -14.324 -3.793 -6.029 1.00 0.00 C ATOM 1014 O ALA A 93 -15.411 -3.495 -5.568 1.00 0.00 O ATOM 1015 CB ALA A 93 -13.675 -6.076 -5.207 1.00 0.00 C ATOM 0 H ALA A 93 -13.951 -4.771 -3.177 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.330 -4.414 -5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.651 -6.456 -6.228 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -12.958 -6.626 -4.598 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -14.676 -6.206 -4.795 1.00 0.00 H new ATOM 1021 N LYS A 94 -13.968 -3.451 -7.243 1.00 0.00 N ATOM 1022 CA LYS A 94 -14.892 -2.670 -8.118 1.00 0.00 C ATOM 1023 C LYS A 94 -15.543 -3.594 -9.148 1.00 0.00 C ATOM 1024 O LYS A 94 -14.895 -4.456 -9.716 1.00 0.00 O ATOM 1025 CB LYS A 94 -13.998 -1.636 -8.801 1.00 0.00 C ATOM 1026 CG LYS A 94 -14.866 -0.576 -9.481 1.00 0.00 C ATOM 1027 CD LYS A 94 -13.971 0.522 -10.062 1.00 0.00 C ATOM 1028 CE LYS A 94 -13.193 -0.033 -11.258 1.00 0.00 C ATOM 1029 NZ LYS A 94 -12.230 1.044 -11.621 1.00 0.00 N ATOM 0 H LYS A 94 -13.070 -3.682 -7.667 1.00 0.00 H new ATOM 0 HA LYS A 94 -15.703 -2.200 -7.561 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.341 -1.167 -8.068 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -13.358 -2.123 -9.537 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -15.461 -1.031 -10.273 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -15.565 -0.148 -8.763 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.577 1.373 -10.372 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -13.280 0.883 -9.301 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.674 -0.956 -10.998 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.859 -0.265 -12.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.658 0.739 -12.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.753 1.908 -11.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.605 1.238 -10.812 1.00 0.00 H new ATOM 1043 N PHE A 95 -16.824 -3.422 -9.386 1.00 0.00 N ATOM 1044 CA PHE A 95 -17.539 -4.290 -10.372 1.00 0.00 C ATOM 1045 C PHE A 95 -17.746 -3.541 -11.691 1.00 0.00 C ATOM 1046 O PHE A 95 -17.998 -2.350 -11.706 1.00 0.00 O ATOM 1047 CB PHE A 95 -18.885 -4.606 -9.719 1.00 0.00 C ATOM 1048 CG PHE A 95 -18.654 -5.395 -8.452 1.00 0.00 C ATOM 1049 CD1 PHE A 95 -18.538 -6.790 -8.507 1.00 0.00 C ATOM 1050 CD2 PHE A 95 -18.559 -4.733 -7.222 1.00 0.00 C ATOM 1051 CE1 PHE A 95 -18.326 -7.519 -7.332 1.00 0.00 C ATOM 1052 CE2 PHE A 95 -18.346 -5.464 -6.047 1.00 0.00 C ATOM 1053 CZ PHE A 95 -18.229 -6.859 -6.101 1.00 0.00 C ATOM 0 H PHE A 95 -17.405 -2.714 -8.937 1.00 0.00 H new ATOM 0 HA PHE A 95 -16.976 -5.193 -10.607 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -19.418 -3.682 -9.493 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -19.511 -5.175 -10.406 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -18.612 -7.302 -9.455 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -18.650 -3.658 -7.179 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -18.237 -8.594 -7.375 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -18.272 -4.952 -5.099 1.00 0.00 H new ATOM 0 HZ PHE A 95 -18.064 -7.424 -5.195 1.00 0.00 H new ATOM 1063 N GLY A 96 -17.642 -4.241 -12.794 1.00 0.00 N ATOM 1064 CA GLY A 96 -17.829 -3.598 -14.131 1.00 0.00 C ATOM 1065 C GLY A 96 -18.091 -4.680 -15.179 1.00 0.00 C ATOM 1066 O GLY A 96 -19.214 -5.121 -15.356 1.00 0.00 O ATOM 0 H GLY A 96 -17.434 -5.239 -12.825 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -18.664 -2.898 -14.097 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -16.942 -3.023 -14.398 1.00 0.00 H new ATOM 1070 N GLU A 97 -17.061 -5.111 -15.866 1.00 0.00 N ATOM 1071 CA GLU A 97 -17.230 -6.171 -16.907 1.00 0.00 C ATOM 1072 C GLU A 97 -16.705 -7.510 -16.379 1.00 0.00 C ATOM 1073 O GLU A 97 -15.614 -7.586 -15.843 1.00 0.00 O ATOM 1074 CB GLU A 97 -16.389 -5.699 -18.095 1.00 0.00 C ATOM 1075 CG GLU A 97 -16.940 -4.369 -18.617 1.00 0.00 C ATOM 1076 CD GLU A 97 -18.337 -4.588 -19.200 1.00 0.00 C ATOM 1077 OE1 GLU A 97 -19.294 -4.471 -18.454 1.00 0.00 O ATOM 1078 OE2 GLU A 97 -18.426 -4.867 -20.384 1.00 0.00 O ATOM 0 H GLU A 97 -16.106 -4.772 -15.749 1.00 0.00 H new ATOM 0 HA GLU A 97 -18.274 -6.320 -17.182 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -15.349 -5.580 -17.793 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -16.407 -6.448 -18.887 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -16.982 -3.639 -17.809 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -16.276 -3.963 -19.380 1.00 0.00 H new ATOM 1085 N GLU A 98 -17.478 -8.560 -16.526 1.00 0.00 N ATOM 1086 CA GLU A 98 -17.042 -9.904 -16.034 1.00 0.00 C ATOM 1087 C GLU A 98 -17.123 -10.936 -17.163 1.00 0.00 C ATOM 1088 O GLU A 98 -18.062 -10.940 -17.941 1.00 0.00 O ATOM 1089 CB GLU A 98 -18.025 -10.255 -14.916 1.00 0.00 C ATOM 1090 CG GLU A 98 -17.887 -9.244 -13.775 1.00 0.00 C ATOM 1091 CD GLU A 98 -18.780 -8.029 -14.048 1.00 0.00 C ATOM 1092 OE1 GLU A 98 -19.827 -8.207 -14.648 1.00 0.00 O ATOM 1093 OE2 GLU A 98 -18.399 -6.940 -13.649 1.00 0.00 O ATOM 0 H GLU A 98 -18.397 -8.542 -16.968 1.00 0.00 H new ATOM 0 HA GLU A 98 -16.010 -9.899 -15.684 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -19.045 -10.249 -15.300 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -17.829 -11.262 -14.549 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -18.168 -9.708 -12.830 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -16.848 -8.929 -13.679 1.00 0.00 H new ATOM 1100 N SER A 99 -16.146 -11.806 -17.248 1.00 0.00 N ATOM 1101 CA SER A 99 -16.147 -12.852 -18.317 1.00 0.00 C ATOM 1102 C SER A 99 -15.912 -14.234 -17.701 1.00 0.00 C ATOM 1103 O SER A 99 -15.126 -14.383 -16.783 1.00 0.00 O ATOM 1104 CB SER A 99 -14.991 -12.472 -19.241 1.00 0.00 C ATOM 1105 OG SER A 99 -15.214 -11.169 -19.764 1.00 0.00 O ATOM 0 H SER A 99 -15.344 -11.836 -16.619 1.00 0.00 H new ATOM 0 HA SER A 99 -17.096 -12.899 -18.851 1.00 0.00 H new ATOM 0 HB2 SER A 99 -14.049 -12.500 -18.693 1.00 0.00 H new ATOM 0 HB3 SER A 99 -14.909 -13.193 -20.054 1.00 0.00 H new ATOM 0 HG SER A 99 -14.473 -10.923 -20.356 1.00 0.00 H new ATOM 1111 N LYS A 100 -16.590 -15.238 -18.204 1.00 0.00 N ATOM 1112 CA LYS A 100 -16.418 -16.621 -17.659 1.00 0.00 C ATOM 1113 C LYS A 100 -16.360 -17.639 -18.802 1.00 0.00 C ATOM 1114 O LYS A 100 -17.214 -17.655 -19.671 1.00 0.00 O ATOM 1115 CB LYS A 100 -17.653 -16.860 -16.790 1.00 0.00 C ATOM 1116 CG LYS A 100 -17.519 -18.205 -16.072 1.00 0.00 C ATOM 1117 CD LYS A 100 -18.682 -18.380 -15.092 1.00 0.00 C ATOM 1118 CE LYS A 100 -19.988 -18.540 -15.873 1.00 0.00 C ATOM 1119 NZ LYS A 100 -20.829 -19.439 -15.036 1.00 0.00 N ATOM 0 H LYS A 100 -17.257 -15.158 -18.971 1.00 0.00 H new ATOM 0 HA LYS A 100 -15.493 -16.729 -17.092 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -17.760 -16.056 -16.062 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -18.552 -16.853 -17.407 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -17.516 -19.018 -16.798 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -16.570 -18.251 -15.538 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.513 -19.254 -14.463 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -18.746 -17.517 -14.429 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -20.475 -17.577 -16.030 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -19.809 -18.971 -16.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -21.743 -19.596 -15.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -20.343 -20.350 -14.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -20.989 -19.000 -14.107 1.00 0.00 H new ATOM 1133 N GLU A 101 -15.357 -18.485 -18.800 1.00 0.00 N ATOM 1134 CA GLU A 101 -15.225 -19.514 -19.878 1.00 0.00 C ATOM 1135 C GLU A 101 -15.307 -20.920 -19.279 1.00 0.00 C ATOM 1136 O GLU A 101 -14.804 -21.173 -18.199 1.00 0.00 O ATOM 1137 CB GLU A 101 -13.844 -19.271 -20.488 1.00 0.00 C ATOM 1138 CG GLU A 101 -13.645 -20.198 -21.689 1.00 0.00 C ATOM 1139 CD GLU A 101 -12.225 -20.036 -22.235 1.00 0.00 C ATOM 1140 OE1 GLU A 101 -11.327 -19.814 -21.438 1.00 0.00 O ATOM 1141 OE2 GLU A 101 -12.059 -20.136 -23.439 1.00 0.00 O ATOM 0 H GLU A 101 -14.621 -18.506 -18.094 1.00 0.00 H new ATOM 0 HA GLU A 101 -16.019 -19.439 -20.621 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.750 -18.231 -20.799 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.069 -19.452 -19.743 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.816 -21.233 -21.394 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.373 -19.964 -22.466 1.00 0.00 H new ATOM 1148 N SER A 102 -15.942 -21.833 -19.979 1.00 0.00 N ATOM 1149 CA SER A 102 -16.069 -23.233 -19.466 1.00 0.00 C ATOM 1150 C SER A 102 -14.824 -24.046 -19.835 1.00 0.00 C ATOM 1151 O SER A 102 -14.847 -24.856 -20.746 1.00 0.00 O ATOM 1152 CB SER A 102 -17.308 -23.796 -20.162 1.00 0.00 C ATOM 1153 OG SER A 102 -17.720 -24.984 -19.499 1.00 0.00 O ATOM 0 H SER A 102 -16.378 -21.666 -20.886 1.00 0.00 H new ATOM 0 HA SER A 102 -16.160 -23.271 -18.380 1.00 0.00 H new ATOM 0 HB2 SER A 102 -18.112 -23.061 -20.149 1.00 0.00 H new ATOM 0 HB3 SER A 102 -17.087 -24.008 -21.208 1.00 0.00 H new ATOM 0 HG SER A 102 -18.515 -25.347 -19.942 1.00 0.00 H new ATOM 1159 N VAL A 103 -13.739 -23.829 -19.131 1.00 0.00 N ATOM 1160 CA VAL A 103 -12.476 -24.577 -19.422 1.00 0.00 C ATOM 1161 C VAL A 103 -11.879 -25.132 -18.121 1.00 0.00 C ATOM 1162 O VAL A 103 -11.976 -24.518 -17.073 1.00 0.00 O ATOM 1163 CB VAL A 103 -11.543 -23.543 -20.072 1.00 0.00 C ATOM 1164 CG1 VAL A 103 -11.291 -22.375 -19.113 1.00 0.00 C ATOM 1165 CG2 VAL A 103 -10.206 -24.206 -20.426 1.00 0.00 C ATOM 0 H VAL A 103 -13.674 -23.161 -18.363 1.00 0.00 H new ATOM 0 HA VAL A 103 -12.637 -25.434 -20.076 1.00 0.00 H new ATOM 0 HB VAL A 103 -12.018 -23.164 -20.977 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -10.629 -21.651 -19.588 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -12.238 -21.894 -18.868 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -10.827 -22.748 -18.200 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.546 -23.471 -20.887 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.741 -24.594 -19.520 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.380 -25.025 -21.124 1.00 0.00 H new ATOM 1175 N ALA A 104 -11.261 -26.290 -18.190 1.00 0.00 N ATOM 1176 CA ALA A 104 -10.649 -26.899 -16.964 1.00 0.00 C ATOM 1177 C ALA A 104 -9.342 -26.185 -16.620 1.00 0.00 C ATOM 1178 O ALA A 104 -8.520 -25.926 -17.483 1.00 0.00 O ATOM 1179 CB ALA A 104 -10.380 -28.363 -17.330 1.00 0.00 C ATOM 0 H ALA A 104 -11.154 -26.839 -19.043 1.00 0.00 H new ATOM 0 HA ALA A 104 -11.300 -26.813 -16.094 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.931 -28.874 -16.479 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -11.319 -28.851 -17.592 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.699 -28.406 -18.180 1.00 0.00 H new ATOM 1185 N GLU A 105 -9.147 -25.864 -15.361 1.00 0.00 N ATOM 1186 CA GLU A 105 -7.898 -25.161 -14.937 1.00 0.00 C ATOM 1187 C GLU A 105 -7.453 -25.656 -13.558 1.00 0.00 C ATOM 1188 O GLU A 105 -6.299 -25.965 -13.347 1.00 0.00 O ATOM 1189 CB GLU A 105 -8.277 -23.681 -14.879 1.00 0.00 C ATOM 1190 CG GLU A 105 -7.042 -22.848 -14.535 1.00 0.00 C ATOM 1191 CD GLU A 105 -7.445 -21.381 -14.368 1.00 0.00 C ATOM 1192 OE1 GLU A 105 -8.537 -21.136 -13.886 1.00 0.00 O ATOM 1193 OE2 GLU A 105 -6.652 -20.525 -14.728 1.00 0.00 O ATOM 0 H GLU A 105 -9.805 -26.061 -14.607 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.069 -25.343 -15.621 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.687 -23.363 -15.837 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.054 -23.523 -14.131 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.586 -23.217 -13.617 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -6.295 -22.943 -15.323 1.00 0.00 H new ATOM 1200 N GLU A 106 -8.370 -25.734 -12.621 1.00 0.00 N ATOM 1201 CA GLU A 106 -8.036 -26.209 -11.233 1.00 0.00 C ATOM 1202 C GLU A 106 -6.922 -25.348 -10.606 1.00 0.00 C ATOM 1203 O GLU A 106 -7.201 -24.405 -9.888 1.00 0.00 O ATOM 1204 CB GLU A 106 -7.602 -27.679 -11.370 1.00 0.00 C ATOM 1205 CG GLU A 106 -8.791 -28.521 -11.844 1.00 0.00 C ATOM 1206 CD GLU A 106 -8.390 -29.996 -11.893 1.00 0.00 C ATOM 1207 OE1 GLU A 106 -7.595 -30.404 -11.062 1.00 0.00 O ATOM 1208 OE2 GLU A 106 -8.885 -30.695 -12.763 1.00 0.00 O ATOM 0 H GLU A 106 -9.350 -25.486 -12.759 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.896 -26.120 -10.569 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.779 -27.762 -12.079 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.237 -28.052 -10.413 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -9.637 -28.386 -11.170 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -9.114 -28.189 -12.831 1.00 0.00 H new ATOM 1215 N GLU A 107 -5.664 -25.658 -10.862 1.00 0.00 N ATOM 1216 CA GLU A 107 -4.529 -24.856 -10.278 1.00 0.00 C ATOM 1217 C GLU A 107 -4.661 -24.741 -8.752 1.00 0.00 C ATOM 1218 O GLU A 107 -5.478 -25.408 -8.142 1.00 0.00 O ATOM 1219 CB GLU A 107 -4.619 -23.472 -10.929 1.00 0.00 C ATOM 1220 CG GLU A 107 -4.263 -23.580 -12.415 1.00 0.00 C ATOM 1221 CD GLU A 107 -4.233 -22.186 -13.046 1.00 0.00 C ATOM 1222 OE1 GLU A 107 -4.989 -21.334 -12.604 1.00 0.00 O ATOM 1223 OE2 GLU A 107 -3.453 -21.991 -13.964 1.00 0.00 O ATOM 0 H GLU A 107 -5.374 -26.437 -11.454 1.00 0.00 H new ATOM 0 HA GLU A 107 -3.569 -25.333 -10.472 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -5.625 -23.069 -10.814 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -3.940 -22.780 -10.431 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -3.292 -24.062 -12.531 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -4.993 -24.205 -12.928 1.00 0.00 H new ATOM 1230 N ASP A 108 -3.859 -23.899 -8.144 1.00 0.00 N ATOM 1231 CA ASP A 108 -3.920 -23.725 -6.659 1.00 0.00 C ATOM 1232 C ASP A 108 -5.040 -22.747 -6.288 1.00 0.00 C ATOM 1233 O ASP A 108 -5.117 -21.654 -6.820 1.00 0.00 O ATOM 1234 CB ASP A 108 -2.557 -23.153 -6.268 1.00 0.00 C ATOM 1235 CG ASP A 108 -2.456 -23.067 -4.744 1.00 0.00 C ATOM 1236 OD1 ASP A 108 -2.117 -24.069 -4.137 1.00 0.00 O ATOM 1237 OD2 ASP A 108 -2.718 -22.001 -4.212 1.00 0.00 O ATOM 0 H ASP A 108 -3.162 -23.323 -8.616 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.130 -24.661 -6.142 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -1.760 -23.784 -6.661 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.426 -22.164 -6.708 1.00 0.00 H new ATOM 1242 N SER A 109 -5.902 -23.139 -5.380 1.00 0.00 N ATOM 1243 CA SER A 109 -7.029 -22.240 -4.962 1.00 0.00 C ATOM 1244 C SER A 109 -6.476 -20.939 -4.377 1.00 0.00 C ATOM 1245 O SER A 109 -5.380 -20.906 -3.845 1.00 0.00 O ATOM 1246 CB SER A 109 -7.803 -23.018 -3.893 1.00 0.00 C ATOM 1247 OG SER A 109 -8.214 -24.270 -4.429 1.00 0.00 O ATOM 0 H SER A 109 -5.875 -24.043 -4.909 1.00 0.00 H new ATOM 0 HA SER A 109 -7.667 -21.971 -5.804 1.00 0.00 H new ATOM 0 HB2 SER A 109 -7.176 -23.173 -3.015 1.00 0.00 H new ATOM 0 HB3 SER A 109 -8.672 -22.446 -3.568 1.00 0.00 H new ATOM 0 HG SER A 109 -8.708 -24.771 -3.747 1.00 0.00 H new ATOM 1253 N ASP A 110 -7.233 -19.870 -4.473 1.00 0.00 N ATOM 1254 CA ASP A 110 -6.769 -18.556 -3.929 1.00 0.00 C ATOM 1255 C ASP A 110 -7.971 -17.711 -3.495 1.00 0.00 C ATOM 1256 O ASP A 110 -9.107 -18.047 -3.778 1.00 0.00 O ATOM 1257 CB ASP A 110 -6.032 -17.886 -5.089 1.00 0.00 C ATOM 1258 CG ASP A 110 -5.282 -16.655 -4.576 1.00 0.00 C ATOM 1259 OD1 ASP A 110 -5.868 -15.585 -4.582 1.00 0.00 O ATOM 1260 OD2 ASP A 110 -4.136 -16.804 -4.188 1.00 0.00 O ATOM 0 H ASP A 110 -8.156 -19.853 -4.907 1.00 0.00 H new ATOM 0 HA ASP A 110 -6.130 -18.672 -3.054 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -5.332 -18.588 -5.543 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -6.741 -17.596 -5.865 1.00 0.00 H new ATOM 1265 N ASP A 111 -7.721 -16.617 -2.811 1.00 0.00 N ATOM 1266 CA ASP A 111 -8.843 -15.734 -2.350 1.00 0.00 C ATOM 1267 C ASP A 111 -9.397 -14.935 -3.533 1.00 0.00 C ATOM 1268 O ASP A 111 -8.658 -14.295 -4.259 1.00 0.00 O ATOM 1269 CB ASP A 111 -8.222 -14.796 -1.312 1.00 0.00 C ATOM 1270 CG ASP A 111 -9.323 -13.974 -0.639 1.00 0.00 C ATOM 1271 OD1 ASP A 111 -10.410 -14.499 -0.469 1.00 0.00 O ATOM 1272 OD2 ASP A 111 -9.059 -12.830 -0.303 1.00 0.00 O ATOM 0 H ASP A 111 -6.788 -16.297 -2.552 1.00 0.00 H new ATOM 0 HA ASP A 111 -9.671 -16.305 -1.930 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -7.677 -15.373 -0.565 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -7.501 -14.134 -1.791 1.00 0.00 H new ATOM 1277 N ASP A 112 -10.695 -14.976 -3.726 1.00 0.00 N ATOM 1278 CA ASP A 112 -11.320 -14.226 -4.865 1.00 0.00 C ATOM 1279 C ASP A 112 -11.253 -12.715 -4.622 1.00 0.00 C ATOM 1280 O ASP A 112 -11.129 -12.262 -3.499 1.00 0.00 O ATOM 1281 CB ASP A 112 -12.781 -14.705 -4.930 1.00 0.00 C ATOM 1282 CG ASP A 112 -13.496 -14.497 -3.582 1.00 0.00 C ATOM 1283 OD1 ASP A 112 -13.008 -13.722 -2.772 1.00 0.00 O ATOM 1284 OD2 ASP A 112 -14.525 -15.122 -3.385 1.00 0.00 O ATOM 0 H ASP A 112 -11.350 -15.497 -3.143 1.00 0.00 H new ATOM 0 HA ASP A 112 -10.796 -14.414 -5.802 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -13.310 -14.162 -5.713 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -12.809 -15.761 -5.200 1.00 0.00 H new ATOM 1289 N VAL A 113 -11.332 -11.940 -5.676 1.00 0.00 N ATOM 1290 CA VAL A 113 -11.276 -10.448 -5.539 1.00 0.00 C ATOM 1291 C VAL A 113 -12.697 -9.844 -5.501 1.00 0.00 C ATOM 1292 O VAL A 113 -12.869 -8.698 -5.130 1.00 0.00 O ATOM 1293 CB VAL A 113 -10.510 -9.959 -6.781 1.00 0.00 C ATOM 1294 CG1 VAL A 113 -10.373 -8.433 -6.744 1.00 0.00 C ATOM 1295 CG2 VAL A 113 -9.107 -10.582 -6.802 1.00 0.00 C ATOM 0 H VAL A 113 -11.434 -12.278 -6.633 1.00 0.00 H new ATOM 0 HA VAL A 113 -10.789 -10.144 -4.612 1.00 0.00 H new ATOM 0 HB VAL A 113 -11.062 -10.256 -7.673 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -9.830 -8.095 -7.626 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.364 -7.979 -6.732 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -9.828 -8.138 -5.847 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -8.567 -10.234 -7.683 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.564 -10.287 -5.904 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -9.192 -11.668 -6.834 1.00 0.00 H new ATOM 1305 N GLU A 114 -13.715 -10.595 -5.884 1.00 0.00 N ATOM 1306 CA GLU A 114 -15.123 -10.059 -5.879 1.00 0.00 C ATOM 1307 C GLU A 114 -15.477 -9.376 -4.532 1.00 0.00 C ATOM 1308 O GLU A 114 -15.931 -8.247 -4.533 1.00 0.00 O ATOM 1309 CB GLU A 114 -16.021 -11.292 -6.109 1.00 0.00 C ATOM 1310 CG GLU A 114 -16.669 -11.223 -7.496 1.00 0.00 C ATOM 1311 CD GLU A 114 -17.488 -12.491 -7.742 1.00 0.00 C ATOM 1312 OE1 GLU A 114 -18.120 -12.955 -6.808 1.00 0.00 O ATOM 1313 OE2 GLU A 114 -17.470 -12.978 -8.861 1.00 0.00 O ATOM 0 H GLU A 114 -13.628 -11.561 -6.201 1.00 0.00 H new ATOM 0 HA GLU A 114 -15.256 -9.295 -6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -15.430 -12.203 -6.021 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -16.793 -11.337 -5.341 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -17.310 -10.344 -7.566 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -15.901 -11.119 -8.263 1.00 0.00 H new ATOM 1320 N PRO A 115 -15.274 -10.070 -3.419 1.00 0.00 N ATOM 1321 CA PRO A 115 -15.607 -9.469 -2.100 1.00 0.00 C ATOM 1322 C PRO A 115 -14.598 -8.375 -1.733 1.00 0.00 C ATOM 1323 O PRO A 115 -13.846 -7.908 -2.570 1.00 0.00 O ATOM 1324 CB PRO A 115 -15.524 -10.647 -1.132 1.00 0.00 C ATOM 1325 CG PRO A 115 -14.604 -11.626 -1.783 1.00 0.00 C ATOM 1326 CD PRO A 115 -14.733 -11.439 -3.272 1.00 0.00 C ATOM 0 HA PRO A 115 -16.584 -8.987 -2.086 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -15.141 -10.332 -0.161 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -16.507 -11.085 -0.960 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -13.576 -11.459 -1.462 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -14.865 -12.646 -1.500 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -13.770 -11.543 -3.772 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -15.401 -12.181 -3.710 1.00 0.00 H new ATOM 1334 N ILE A 116 -14.586 -7.965 -0.486 1.00 0.00 N ATOM 1335 CA ILE A 116 -13.636 -6.894 -0.043 1.00 0.00 C ATOM 1336 C ILE A 116 -12.486 -7.524 0.750 1.00 0.00 C ATOM 1337 O ILE A 116 -12.675 -8.493 1.465 1.00 0.00 O ATOM 1338 CB ILE A 116 -14.474 -5.967 0.853 1.00 0.00 C ATOM 1339 CG1 ILE A 116 -15.627 -5.372 0.040 1.00 0.00 C ATOM 1340 CG2 ILE A 116 -13.604 -4.827 1.392 1.00 0.00 C ATOM 1341 CD1 ILE A 116 -16.583 -4.629 0.975 1.00 0.00 C ATOM 0 H ILE A 116 -15.196 -8.328 0.247 1.00 0.00 H new ATOM 0 HA ILE A 116 -13.192 -6.352 -0.878 1.00 0.00 H new ATOM 0 HB ILE A 116 -14.868 -6.547 1.687 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -15.238 -4.690 -0.716 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -16.160 -6.163 -0.488 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -14.208 -4.177 2.025 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -12.782 -5.241 1.976 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -13.202 -4.251 0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -17.403 -4.206 0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -16.982 -5.323 1.715 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -16.046 -3.828 1.482 1.00 0.00 H new ATOM 1353 N ALA A 117 -11.295 -6.982 0.616 1.00 0.00 N ATOM 1354 CA ALA A 117 -10.121 -7.542 1.347 1.00 0.00 C ATOM 1355 C ALA A 117 -9.726 -6.616 2.494 1.00 0.00 C ATOM 1356 O ALA A 117 -9.568 -5.414 2.292 1.00 0.00 O ATOM 1357 CB ALA A 117 -9.009 -7.588 0.301 1.00 0.00 C ATOM 0 H ALA A 117 -11.090 -6.174 0.029 1.00 0.00 H new ATOM 0 HA ALA A 117 -10.327 -8.520 1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -8.101 -7.989 0.752 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -9.315 -8.227 -0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -8.816 -6.581 -0.069 1.00 0.00 H new ATOM 1363 N GLU A 118 -9.531 -7.160 3.688 1.00 0.00 N ATOM 1364 CA GLU A 118 -9.110 -6.281 4.826 1.00 0.00 C ATOM 1365 C GLU A 118 -7.590 -6.290 4.898 1.00 0.00 C ATOM 1366 O GLU A 118 -6.987 -7.310 5.173 1.00 0.00 O ATOM 1367 CB GLU A 118 -9.712 -6.868 6.110 1.00 0.00 C ATOM 1368 CG GLU A 118 -11.230 -7.023 5.963 1.00 0.00 C ATOM 1369 CD GLU A 118 -11.559 -8.402 5.386 1.00 0.00 C ATOM 1370 OE1 GLU A 118 -10.822 -9.336 5.665 1.00 0.00 O ATOM 1371 OE2 GLU A 118 -12.545 -8.503 4.674 1.00 0.00 O ATOM 0 H GLU A 118 -9.644 -8.149 3.911 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.453 -5.255 4.695 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.260 -7.837 6.322 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.486 -6.219 6.956 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -11.712 -6.900 6.933 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.623 -6.243 5.311 1.00 0.00 H new ATOM 1378 N PHE A 119 -6.968 -5.171 4.642 1.00 0.00 N ATOM 1379 CA PHE A 119 -5.489 -5.110 4.687 1.00 0.00 C ATOM 1380 C PHE A 119 -5.128 -4.257 5.901 1.00 0.00 C ATOM 1381 O PHE A 119 -5.704 -3.212 6.105 1.00 0.00 O ATOM 1382 CB PHE A 119 -5.151 -4.499 3.294 1.00 0.00 C ATOM 1383 CG PHE A 119 -3.784 -3.836 3.192 1.00 0.00 C ATOM 1384 CD1 PHE A 119 -3.479 -2.709 3.955 1.00 0.00 C ATOM 1385 CD2 PHE A 119 -2.834 -4.333 2.286 1.00 0.00 C ATOM 1386 CE1 PHE A 119 -2.231 -2.084 3.825 1.00 0.00 C ATOM 1387 CE2 PHE A 119 -1.585 -3.704 2.157 1.00 0.00 C ATOM 1388 CZ PHE A 119 -1.289 -2.574 2.930 1.00 0.00 C ATOM 0 H PHE A 119 -7.429 -4.293 4.402 1.00 0.00 H new ATOM 0 HA PHE A 119 -4.933 -6.038 4.819 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.211 -5.288 2.545 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.914 -3.762 3.043 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.207 -2.316 4.649 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -3.064 -5.201 1.687 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -2.001 -1.216 4.425 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -0.854 -4.091 1.463 1.00 0.00 H new ATOM 0 HZ PHE A 119 -0.331 -2.085 2.830 1.00 0.00 H new ATOM 1398 N ARG A 120 -4.206 -4.684 6.728 1.00 0.00 N ATOM 1399 CA ARG A 120 -3.843 -3.828 7.895 1.00 0.00 C ATOM 1400 C ARG A 120 -2.363 -3.908 8.143 1.00 0.00 C ATOM 1401 O ARG A 120 -1.792 -4.959 8.378 1.00 0.00 O ATOM 1402 CB ARG A 120 -4.703 -4.268 9.091 1.00 0.00 C ATOM 1403 CG ARG A 120 -4.599 -5.768 9.343 1.00 0.00 C ATOM 1404 CD ARG A 120 -3.625 -6.035 10.501 1.00 0.00 C ATOM 1405 NE ARG A 120 -4.035 -7.350 11.074 1.00 0.00 N ATOM 1406 CZ ARG A 120 -3.566 -7.731 12.230 1.00 0.00 C ATOM 1407 NH1 ARG A 120 -3.597 -6.912 13.247 1.00 0.00 N ATOM 1408 NH2 ARG A 120 -3.066 -8.926 12.370 1.00 0.00 N ATOM 0 H ARG A 120 -3.701 -5.566 6.649 1.00 0.00 H new ATOM 0 HA ARG A 120 -4.053 -2.775 7.709 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -4.388 -3.727 9.983 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -5.744 -4.002 8.907 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -5.582 -6.175 9.581 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -4.254 -6.274 8.442 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -2.594 -6.066 10.147 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -3.681 -5.246 11.251 1.00 0.00 H new ATOM 0 HE ARG A 120 -4.681 -7.951 10.562 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -3.988 -5.976 13.136 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -3.231 -7.208 14.152 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -3.041 -9.565 11.575 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -2.700 -9.223 13.274 1.00 0.00 H new ATOM 1422 N PHE A 121 -1.738 -2.764 8.063 1.00 0.00 N ATOM 1423 CA PHE A 121 -0.297 -2.679 8.271 1.00 0.00 C ATOM 1424 C PHE A 121 -0.138 -2.017 9.610 1.00 0.00 C ATOM 1425 O PHE A 121 -0.579 -0.894 9.827 1.00 0.00 O ATOM 1426 CB PHE A 121 0.225 -1.898 7.058 1.00 0.00 C ATOM 1427 CG PHE A 121 0.522 -2.912 5.955 1.00 0.00 C ATOM 1428 CD1 PHE A 121 -0.470 -3.809 5.514 1.00 0.00 C ATOM 1429 CD2 PHE A 121 1.806 -3.006 5.433 1.00 0.00 C ATOM 1430 CE1 PHE A 121 -0.167 -4.788 4.562 1.00 0.00 C ATOM 1431 CE2 PHE A 121 2.103 -3.974 4.459 1.00 0.00 C ATOM 1432 CZ PHE A 121 1.115 -4.867 4.030 1.00 0.00 C ATOM 0 H PHE A 121 -2.192 -1.874 7.857 1.00 0.00 H new ATOM 0 HA PHE A 121 0.269 -3.610 8.315 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -0.515 -1.171 6.722 1.00 0.00 H new ATOM 0 HB3 PHE A 121 1.124 -1.340 7.319 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -1.471 -3.741 5.913 1.00 0.00 H new ATOM 0 HD2 PHE A 121 2.578 -2.333 5.777 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -0.929 -5.482 4.240 1.00 0.00 H new ATOM 0 HE2 PHE A 121 3.097 -4.029 4.040 1.00 0.00 H new ATOM 0 HZ PHE A 121 1.348 -5.616 3.287 1.00 0.00 H new ATOM 1442 N VAL A 122 0.356 -2.776 10.551 1.00 0.00 N ATOM 1443 CA VAL A 122 0.405 -2.272 11.946 1.00 0.00 C ATOM 1444 C VAL A 122 1.852 -2.085 12.448 1.00 0.00 C ATOM 1445 O VAL A 122 2.603 -3.039 12.483 1.00 0.00 O ATOM 1446 CB VAL A 122 -0.362 -3.348 12.756 1.00 0.00 C ATOM 1447 CG1 VAL A 122 -0.557 -2.852 14.173 1.00 0.00 C ATOM 1448 CG2 VAL A 122 -1.759 -3.650 12.145 1.00 0.00 C ATOM 0 H VAL A 122 0.725 -3.717 10.412 1.00 0.00 H new ATOM 0 HA VAL A 122 -0.040 -1.282 12.046 1.00 0.00 H new ATOM 0 HB VAL A 122 0.228 -4.264 12.734 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -1.096 -3.603 14.750 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.415 -2.670 14.632 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.130 -1.925 14.158 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -2.262 -4.409 12.744 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.357 -2.739 12.137 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.639 -4.014 11.125 1.00 0.00 H new ATOM 1458 N PRO A 123 2.220 -0.863 12.816 1.00 0.00 N ATOM 1459 CA PRO A 123 3.592 -0.609 13.292 1.00 0.00 C ATOM 1460 C PRO A 123 3.678 -0.689 14.817 1.00 0.00 C ATOM 1461 O PRO A 123 2.788 -0.248 15.522 1.00 0.00 O ATOM 1462 CB PRO A 123 3.846 0.825 12.836 1.00 0.00 C ATOM 1463 CG PRO A 123 2.489 1.467 12.729 1.00 0.00 C ATOM 1464 CD PRO A 123 1.441 0.383 12.815 1.00 0.00 C ATOM 0 HA PRO A 123 4.311 -1.335 12.911 1.00 0.00 H new ATOM 0 HB2 PRO A 123 4.475 1.357 13.550 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.365 0.845 11.878 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.349 2.194 13.529 1.00 0.00 H new ATOM 0 HG3 PRO A 123 2.399 2.008 11.787 1.00 0.00 H new ATOM 0 HD2 PRO A 123 0.840 0.479 13.719 1.00 0.00 H new ATOM 0 HD3 PRO A 123 0.754 0.424 11.970 1.00 0.00 H new ATOM 1472 N SER A 124 4.763 -1.223 15.322 1.00 0.00 N ATOM 1473 CA SER A 124 4.954 -1.313 16.802 1.00 0.00 C ATOM 1474 C SER A 124 5.669 -0.050 17.313 1.00 0.00 C ATOM 1475 O SER A 124 5.513 0.340 18.454 1.00 0.00 O ATOM 1476 CB SER A 124 5.824 -2.549 17.016 1.00 0.00 C ATOM 1477 OG SER A 124 5.862 -2.863 18.402 1.00 0.00 O ATOM 0 H SER A 124 5.530 -1.603 14.767 1.00 0.00 H new ATOM 0 HA SER A 124 4.010 -1.387 17.341 1.00 0.00 H new ATOM 0 HB2 SER A 124 5.424 -3.391 16.451 1.00 0.00 H new ATOM 0 HB3 SER A 124 6.833 -2.367 16.645 1.00 0.00 H new ATOM 0 HG SER A 124 6.419 -3.657 18.542 1.00 0.00 H new ATOM 1483 N ASP A 125 6.453 0.584 16.468 1.00 0.00 N ATOM 1484 CA ASP A 125 7.188 1.822 16.881 1.00 0.00 C ATOM 1485 C ASP A 125 6.288 3.049 16.780 1.00 0.00 C ATOM 1486 O ASP A 125 5.779 3.371 15.724 1.00 0.00 O ATOM 1487 CB ASP A 125 8.363 1.930 15.904 1.00 0.00 C ATOM 1488 CG ASP A 125 9.317 3.045 16.345 1.00 0.00 C ATOM 1489 OD1 ASP A 125 9.393 3.306 17.535 1.00 0.00 O ATOM 1490 OD2 ASP A 125 9.960 3.616 15.481 1.00 0.00 O ATOM 0 H ASP A 125 6.615 0.293 15.504 1.00 0.00 H new ATOM 0 HA ASP A 125 7.520 1.771 17.918 1.00 0.00 H new ATOM 0 HB2 ASP A 125 8.897 0.981 15.860 1.00 0.00 H new ATOM 0 HB3 ASP A 125 7.993 2.134 14.899 1.00 0.00 H new ATOM 1495 N LYS A 126 6.100 3.751 17.880 1.00 0.00 N ATOM 1496 CA LYS A 126 5.244 4.986 17.861 1.00 0.00 C ATOM 1497 C LYS A 126 5.837 5.994 16.872 1.00 0.00 C ATOM 1498 O LYS A 126 5.123 6.701 16.178 1.00 0.00 O ATOM 1499 CB LYS A 126 5.266 5.531 19.301 1.00 0.00 C ATOM 1500 CG LYS A 126 6.699 5.886 19.727 1.00 0.00 C ATOM 1501 CD LYS A 126 6.787 5.914 21.254 1.00 0.00 C ATOM 1502 CE LYS A 126 6.029 7.132 21.787 1.00 0.00 C ATOM 1503 NZ LYS A 126 6.384 7.202 23.232 1.00 0.00 N ATOM 0 H LYS A 126 6.503 3.521 18.788 1.00 0.00 H new ATOM 0 HA LYS A 126 4.221 4.786 17.543 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.632 6.415 19.370 1.00 0.00 H new ATOM 0 HB3 LYS A 126 4.853 4.788 19.983 1.00 0.00 H new ATOM 0 HG2 LYS A 126 7.401 5.155 19.325 1.00 0.00 H new ATOM 0 HG3 LYS A 126 6.981 6.856 19.318 1.00 0.00 H new ATOM 0 HD2 LYS A 126 6.365 4.999 21.670 1.00 0.00 H new ATOM 0 HD3 LYS A 126 7.830 5.955 21.568 1.00 0.00 H new ATOM 0 HE2 LYS A 126 6.324 8.041 21.263 1.00 0.00 H new ATOM 0 HE3 LYS A 126 4.954 7.019 21.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 5.902 8.013 23.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 6.085 6.326 23.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 7.413 7.316 23.332 1.00 0.00 H new ATOM 1517 N SER A 127 7.146 6.025 16.790 1.00 0.00 N ATOM 1518 CA SER A 127 7.823 6.944 15.831 1.00 0.00 C ATOM 1519 C SER A 127 7.481 6.510 14.407 1.00 0.00 C ATOM 1520 O SER A 127 7.400 7.330 13.505 1.00 0.00 O ATOM 1521 CB SER A 127 9.324 6.799 16.096 1.00 0.00 C ATOM 1522 OG SER A 127 10.027 7.793 15.365 1.00 0.00 O ATOM 0 H SER A 127 7.774 5.449 17.350 1.00 0.00 H new ATOM 0 HA SER A 127 7.508 7.981 15.952 1.00 0.00 H new ATOM 0 HB2 SER A 127 9.529 6.902 17.162 1.00 0.00 H new ATOM 0 HB3 SER A 127 9.663 5.806 15.801 1.00 0.00 H new ATOM 0 HG SER A 127 10.988 7.704 15.533 1.00 0.00 H new ATOM 1528 N ALA A 128 7.267 5.222 14.198 1.00 0.00 N ATOM 1529 CA ALA A 128 6.912 4.739 12.826 1.00 0.00 C ATOM 1530 C ALA A 128 5.480 5.164 12.487 1.00 0.00 C ATOM 1531 O ALA A 128 5.183 5.525 11.360 1.00 0.00 O ATOM 1532 CB ALA A 128 7.030 3.215 12.874 1.00 0.00 C ATOM 0 H ALA A 128 7.324 4.497 14.914 1.00 0.00 H new ATOM 0 HA ALA A 128 7.566 5.157 12.061 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.782 2.800 11.897 1.00 0.00 H new ATOM 0 HB2 ALA A 128 8.050 2.937 13.138 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.342 2.820 13.621 1.00 0.00 H new ATOM 1538 N LEU A 129 4.597 5.126 13.460 1.00 0.00 N ATOM 1539 CA LEU A 129 3.174 5.532 13.208 1.00 0.00 C ATOM 1540 C LEU A 129 3.105 7.019 12.852 1.00 0.00 C ATOM 1541 O LEU A 129 2.438 7.400 11.906 1.00 0.00 O ATOM 1542 CB LEU A 129 2.426 5.266 14.519 1.00 0.00 C ATOM 1543 CG LEU A 129 0.935 5.569 14.328 1.00 0.00 C ATOM 1544 CD1 LEU A 129 0.189 4.279 13.981 1.00 0.00 C ATOM 1545 CD2 LEU A 129 0.363 6.160 15.619 1.00 0.00 C ATOM 0 H LEU A 129 4.799 4.832 14.416 1.00 0.00 H new ATOM 0 HA LEU A 129 2.738 4.978 12.377 1.00 0.00 H new ATOM 0 HB2 LEU A 129 2.561 4.228 14.823 1.00 0.00 H new ATOM 0 HB3 LEU A 129 2.835 5.887 15.316 1.00 0.00 H new ATOM 0 HG LEU A 129 0.813 6.286 13.516 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.870 4.497 13.846 1.00 0.00 H new ATOM 0 HD12 LEU A 129 0.594 3.861 13.059 1.00 0.00 H new ATOM 0 HD13 LEU A 129 0.311 3.559 14.790 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -0.697 6.375 15.482 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.486 5.445 16.432 1.00 0.00 H new ATOM 0 HD23 LEU A 129 0.892 7.081 15.863 1.00 0.00 H new ATOM 1557 N GLU A 130 3.790 7.857 13.603 1.00 0.00 N ATOM 1558 CA GLU A 130 3.767 9.325 13.305 1.00 0.00 C ATOM 1559 C GLU A 130 4.428 9.590 11.950 1.00 0.00 C ATOM 1560 O GLU A 130 4.025 10.482 11.221 1.00 0.00 O ATOM 1561 CB GLU A 130 4.523 10.003 14.455 1.00 0.00 C ATOM 1562 CG GLU A 130 5.975 9.519 14.515 1.00 0.00 C ATOM 1563 CD GLU A 130 6.746 10.355 15.539 1.00 0.00 C ATOM 1564 OE1 GLU A 130 7.299 11.371 15.149 1.00 0.00 O ATOM 1565 OE2 GLU A 130 6.769 9.965 16.694 1.00 0.00 O ATOM 0 H GLU A 130 4.360 7.586 14.404 1.00 0.00 H new ATOM 0 HA GLU A 130 2.753 9.719 13.237 1.00 0.00 H new ATOM 0 HB2 GLU A 130 4.501 11.085 14.322 1.00 0.00 H new ATOM 0 HB3 GLU A 130 4.024 9.788 15.400 1.00 0.00 H new ATOM 0 HG2 GLU A 130 6.008 8.465 14.791 1.00 0.00 H new ATOM 0 HG3 GLU A 130 6.440 9.606 13.533 1.00 0.00 H new ATOM 1572 N ALA A 131 5.427 8.809 11.600 1.00 0.00 N ATOM 1573 CA ALA A 131 6.111 8.998 10.279 1.00 0.00 C ATOM 1574 C ALA A 131 5.123 8.691 9.150 1.00 0.00 C ATOM 1575 O ALA A 131 5.018 9.430 8.185 1.00 0.00 O ATOM 1576 CB ALA A 131 7.270 7.997 10.264 1.00 0.00 C ATOM 0 H ALA A 131 5.797 8.050 12.172 1.00 0.00 H new ATOM 0 HA ALA A 131 6.470 10.018 10.140 1.00 0.00 H new ATOM 0 HB1 ALA A 131 7.813 8.083 9.323 1.00 0.00 H new ATOM 0 HB2 ALA A 131 7.945 8.209 11.093 1.00 0.00 H new ATOM 0 HB3 ALA A 131 6.878 6.985 10.365 1.00 0.00 H new ATOM 1582 N MET A 132 4.387 7.610 9.282 1.00 0.00 N ATOM 1583 CA MET A 132 3.383 7.246 8.232 1.00 0.00 C ATOM 1584 C MET A 132 2.288 8.309 8.188 1.00 0.00 C ATOM 1585 O MET A 132 1.783 8.647 7.135 1.00 0.00 O ATOM 1586 CB MET A 132 2.807 5.892 8.656 1.00 0.00 C ATOM 1587 CG MET A 132 3.586 4.772 7.966 1.00 0.00 C ATOM 1588 SD MET A 132 2.976 3.170 8.543 1.00 0.00 S ATOM 1589 CE MET A 132 3.850 3.161 10.128 1.00 0.00 C ATOM 0 H MET A 132 4.439 6.966 10.071 1.00 0.00 H new ATOM 0 HA MET A 132 3.826 7.188 7.238 1.00 0.00 H new ATOM 0 HB2 MET A 132 2.870 5.780 9.738 1.00 0.00 H new ATOM 0 HB3 MET A 132 1.752 5.834 8.390 1.00 0.00 H new ATOM 0 HG2 MET A 132 3.473 4.848 6.885 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.650 4.868 8.183 1.00 0.00 H new ATOM 0 HE1 MET A 132 4.165 2.145 10.364 1.00 0.00 H new ATOM 0 HE2 MET A 132 4.726 3.807 10.064 1.00 0.00 H new ATOM 0 HE3 MET A 132 3.186 3.526 10.912 1.00 0.00 H new ATOM 1599 N PHE A 133 1.931 8.845 9.333 1.00 0.00 N ATOM 1600 CA PHE A 133 0.873 9.905 9.382 1.00 0.00 C ATOM 1601 C PHE A 133 1.348 11.121 8.622 1.00 0.00 C ATOM 1602 O PHE A 133 0.587 11.745 7.906 1.00 0.00 O ATOM 1603 CB PHE A 133 0.645 10.189 10.882 1.00 0.00 C ATOM 1604 CG PHE A 133 -0.155 9.063 11.578 1.00 0.00 C ATOM 1605 CD1 PHE A 133 -0.559 7.882 10.896 1.00 0.00 C ATOM 1606 CD2 PHE A 133 -0.491 9.214 12.931 1.00 0.00 C ATOM 1607 CE1 PHE A 133 -1.281 6.889 11.566 1.00 0.00 C ATOM 1608 CE2 PHE A 133 -1.216 8.213 13.596 1.00 0.00 C ATOM 1609 CZ PHE A 133 -1.608 7.055 12.915 1.00 0.00 C ATOM 0 H PHE A 133 2.329 8.593 10.238 1.00 0.00 H new ATOM 0 HA PHE A 133 -0.064 9.603 8.914 1.00 0.00 H new ATOM 0 HB2 PHE A 133 1.609 10.307 11.378 1.00 0.00 H new ATOM 0 HB3 PHE A 133 0.112 11.133 10.994 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -0.307 7.751 9.854 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -0.191 10.104 13.464 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -1.585 5.995 11.042 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -1.472 8.337 14.638 1.00 0.00 H new ATOM 0 HZ PHE A 133 -2.164 6.288 13.433 1.00 0.00 H new ATOM 1619 N THR A 134 2.616 11.430 8.732 1.00 0.00 N ATOM 1620 CA THR A 134 3.173 12.577 7.958 1.00 0.00 C ATOM 1621 C THR A 134 3.128 12.200 6.475 1.00 0.00 C ATOM 1622 O THR A 134 2.891 13.034 5.620 1.00 0.00 O ATOM 1623 CB THR A 134 4.617 12.748 8.439 1.00 0.00 C ATOM 1624 OG1 THR A 134 4.629 12.916 9.850 1.00 0.00 O ATOM 1625 CG2 THR A 134 5.239 13.975 7.772 1.00 0.00 C ATOM 0 H THR A 134 3.286 10.938 9.323 1.00 0.00 H new ATOM 0 HA THR A 134 2.618 13.505 8.097 1.00 0.00 H new ATOM 0 HB THR A 134 5.194 11.862 8.173 1.00 0.00 H new ATOM 0 HG1 THR A 134 4.544 12.042 10.284 1.00 0.00 H new ATOM 0 HG21 THR A 134 6.266 14.094 8.116 1.00 0.00 H new ATOM 0 HG22 THR A 134 5.231 13.844 6.690 1.00 0.00 H new ATOM 0 HG23 THR A 134 4.663 14.863 8.034 1.00 0.00 H new ATOM 1633 N ALA A 135 3.331 10.930 6.176 1.00 0.00 N ATOM 1634 CA ALA A 135 3.276 10.473 4.749 1.00 0.00 C ATOM 1635 C ALA A 135 1.836 10.550 4.232 1.00 0.00 C ATOM 1636 O ALA A 135 1.576 11.062 3.157 1.00 0.00 O ATOM 1637 CB ALA A 135 3.761 9.021 4.764 1.00 0.00 C ATOM 0 H ALA A 135 3.531 10.198 6.857 1.00 0.00 H new ATOM 0 HA ALA A 135 3.890 11.094 4.096 1.00 0.00 H new ATOM 0 HB1 ALA A 135 3.747 8.622 3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 135 4.778 8.981 5.155 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.105 8.425 5.398 1.00 0.00 H new ATOM 1643 N MET A 136 0.901 10.048 5.006 1.00 0.00 N ATOM 1644 CA MET A 136 -0.538 10.085 4.591 1.00 0.00 C ATOM 1645 C MET A 136 -1.060 11.516 4.661 1.00 0.00 C ATOM 1646 O MET A 136 -1.720 11.990 3.755 1.00 0.00 O ATOM 1647 CB MET A 136 -1.281 9.193 5.590 1.00 0.00 C ATOM 1648 CG MET A 136 -1.358 7.765 5.041 1.00 0.00 C ATOM 1649 SD MET A 136 0.099 6.832 5.573 1.00 0.00 S ATOM 1650 CE MET A 136 -0.049 5.482 4.376 1.00 0.00 C ATOM 0 H MET A 136 1.075 9.612 5.912 1.00 0.00 H new ATOM 0 HA MET A 136 -0.678 9.737 3.567 1.00 0.00 H new ATOM 0 HB2 MET A 136 -0.766 9.197 6.551 1.00 0.00 H new ATOM 0 HB3 MET A 136 -2.284 9.582 5.764 1.00 0.00 H new ATOM 0 HG2 MET A 136 -2.265 7.276 5.396 1.00 0.00 H new ATOM 0 HG3 MET A 136 -1.412 7.785 3.953 1.00 0.00 H new ATOM 0 HE1 MET A 136 0.813 4.820 4.465 1.00 0.00 H new ATOM 0 HE2 MET A 136 -0.961 4.919 4.574 1.00 0.00 H new ATOM 0 HE3 MET A 136 -0.088 5.893 3.367 1.00 0.00 H new ATOM 1660 N CYS A 137 -0.766 12.205 5.739 1.00 0.00 N ATOM 1661 CA CYS A 137 -1.241 13.622 5.891 1.00 0.00 C ATOM 1662 C CYS A 137 -0.698 14.487 4.748 1.00 0.00 C ATOM 1663 O CYS A 137 -1.423 15.272 4.159 1.00 0.00 O ATOM 1664 CB CYS A 137 -0.682 14.102 7.234 1.00 0.00 C ATOM 1665 SG CYS A 137 -1.390 15.716 7.642 1.00 0.00 S ATOM 0 H CYS A 137 -0.217 11.849 6.522 1.00 0.00 H new ATOM 0 HA CYS A 137 -2.328 13.691 5.860 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -0.919 13.381 8.017 1.00 0.00 H new ATOM 0 HB3 CYS A 137 0.405 14.172 7.183 1.00 0.00 H new ATOM 0 HG CYS A 137 -0.917 16.122 8.783 1.00 0.00 H new ATOM 1671 N GLU A 138 0.567 14.337 4.428 1.00 0.00 N ATOM 1672 CA GLU A 138 1.170 15.138 3.314 1.00 0.00 C ATOM 1673 C GLU A 138 0.579 14.694 1.981 1.00 0.00 C ATOM 1674 O GLU A 138 0.362 15.489 1.085 1.00 0.00 O ATOM 1675 CB GLU A 138 2.674 14.856 3.364 1.00 0.00 C ATOM 1676 CG GLU A 138 3.288 15.564 4.573 1.00 0.00 C ATOM 1677 CD GLU A 138 3.182 17.081 4.393 1.00 0.00 C ATOM 1678 OE1 GLU A 138 3.259 17.533 3.263 1.00 0.00 O ATOM 1679 OE2 GLU A 138 3.028 17.766 5.392 1.00 0.00 O ATOM 0 H GLU A 138 1.208 13.693 4.891 1.00 0.00 H new ATOM 0 HA GLU A 138 0.967 16.204 3.418 1.00 0.00 H new ATOM 0 HB2 GLU A 138 2.851 13.782 3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 138 3.150 15.202 2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 138 2.774 15.260 5.484 1.00 0.00 H new ATOM 0 HG3 GLU A 138 4.333 15.274 4.684 1.00 0.00 H new ATOM 1686 N CYS A 139 0.314 13.425 1.864 1.00 0.00 N ATOM 1687 CA CYS A 139 -0.279 12.879 0.601 1.00 0.00 C ATOM 1688 C CYS A 139 -1.715 13.381 0.445 1.00 0.00 C ATOM 1689 O CYS A 139 -2.129 13.781 -0.628 1.00 0.00 O ATOM 1690 CB CYS A 139 -0.256 11.358 0.762 1.00 0.00 C ATOM 1691 SG CYS A 139 -0.659 10.577 -0.822 1.00 0.00 S ATOM 0 H CYS A 139 0.482 12.732 2.593 1.00 0.00 H new ATOM 0 HA CYS A 139 0.273 13.194 -0.284 1.00 0.00 H new ATOM 0 HB2 CYS A 139 0.728 11.032 1.100 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -0.973 11.051 1.524 1.00 0.00 H new ATOM 0 HG CYS A 139 -0.638 9.284 -0.686 1.00 0.00 H new ATOM 1697 N GLN A 140 -2.472 13.367 1.520 1.00 0.00 N ATOM 1698 CA GLN A 140 -3.890 13.850 1.457 1.00 0.00 C ATOM 1699 C GLN A 140 -3.914 15.340 1.128 1.00 0.00 C ATOM 1700 O GLN A 140 -4.737 15.798 0.352 1.00 0.00 O ATOM 1701 CB GLN A 140 -4.474 13.604 2.854 1.00 0.00 C ATOM 1702 CG GLN A 140 -5.298 12.315 2.848 1.00 0.00 C ATOM 1703 CD GLN A 140 -5.938 12.112 4.210 1.00 0.00 C ATOM 1704 OE1 GLN A 140 -6.722 12.922 4.664 1.00 0.00 O ATOM 1705 NE2 GLN A 140 -5.629 11.045 4.886 1.00 0.00 N ATOM 0 H GLN A 140 -2.168 13.042 2.438 1.00 0.00 H new ATOM 0 HA GLN A 140 -4.464 13.334 0.687 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -3.671 13.530 3.587 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -5.100 14.446 3.151 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -6.067 12.367 2.078 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -4.660 11.465 2.605 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -4.970 10.369 4.499 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -6.045 10.884 5.803 1.00 0.00 H new ATOM 1714 N ALA A 141 -3.013 16.097 1.709 1.00 0.00 N ATOM 1715 CA ALA A 141 -2.969 17.569 1.436 1.00 0.00 C ATOM 1716 C ALA A 141 -2.573 17.813 -0.023 1.00 0.00 C ATOM 1717 O ALA A 141 -3.086 18.708 -0.672 1.00 0.00 O ATOM 1718 CB ALA A 141 -1.907 18.137 2.382 1.00 0.00 C ATOM 0 H ALA A 141 -2.306 15.758 2.361 1.00 0.00 H new ATOM 0 HA ALA A 141 -3.937 18.044 1.596 1.00 0.00 H new ATOM 0 HB1 ALA A 141 -1.825 19.214 2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 141 -2.193 17.935 3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 141 -0.946 17.667 2.174 1.00 0.00 H new ATOM 1724 N LEU A 142 -1.663 17.019 -0.537 1.00 0.00 N ATOM 1725 CA LEU A 142 -1.220 17.187 -1.960 1.00 0.00 C ATOM 1726 C LEU A 142 -2.361 16.826 -2.915 1.00 0.00 C ATOM 1727 O LEU A 142 -2.521 17.434 -3.958 1.00 0.00 O ATOM 1728 CB LEU A 142 -0.046 16.227 -2.145 1.00 0.00 C ATOM 1729 CG LEU A 142 0.827 16.713 -3.314 1.00 0.00 C ATOM 1730 CD1 LEU A 142 2.298 16.500 -2.973 1.00 0.00 C ATOM 1731 CD2 LEU A 142 0.475 15.930 -4.580 1.00 0.00 C ATOM 0 H LEU A 142 -1.207 16.260 -0.031 1.00 0.00 H new ATOM 0 HA LEU A 142 -0.933 18.216 -2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.545 16.177 -1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -0.412 15.220 -2.344 1.00 0.00 H new ATOM 0 HG LEU A 142 0.644 17.774 -3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.917 16.844 -3.801 1.00 0.00 H new ATOM 0 HD12 LEU A 142 2.548 17.063 -2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.481 15.440 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 142 1.095 16.277 -5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 142 0.654 14.868 -4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -0.576 16.087 -4.824 1.00 0.00 H new TER 1743 LEU A 142