USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 678 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 52 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 57 LYS NZ :NH3+ -177:sc= 1.02 (180deg=0.969) USER MOD Set 2.1: A 43 ASN : amide:sc= -1.33! C(o=-2.6!,f=0.012!) USER MOD Set 2.2: A 48 SER OG : rot -110:sc= -1.29! USER MOD Set 3.1: A 27 HIS : no HD1:sc= -9.69! C(o=-16!,f=-17!) USER MOD Set 3.2: A 28 ASN : amide:sc= -6.44! C(o=-16!,f=-16!) USER MOD Single : A 15 ASN : amide:sc= -0.0387 K(o=-0.039,f=-1.1) USER MOD Single : A 17 GLN : amide:sc= -1.21! C(o=-1.2!,f=-8.9!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 133:sc= 0.194 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 87:sc= 1.2 USER MOD Single : A 24 TYR OH : rot 70:sc= 0.0233 USER MOD Single : A 26 LYS NZ :NH3+ -159:sc= -0.0679 (180deg=-0.628) USER MOD Single : A 33 ASN : amide:sc= -1.28! C(o=-1.3!,f=-4.7!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 28:sc= 0.74 USER MOD Single : A 39 ASN : amide:sc= -0.0752 K(o=-0.075,f=-2.5!) USER MOD Single : A 54 ASN : amide:sc= -2.08! C(o=-2.1!,f=-8.9!) USER MOD Single : A 55 ASN : amide:sc= -0.0796 K(o=-0.08,f=-2.2!) USER MOD Single : A 58 ASN : amide:sc= -1.39! K(o=-1.4!,f=-0.031) USER MOD Single : A 60 SER OG : rot 47:sc= 0.0165 USER MOD Single : A 62 THR OG1 : rot -30:sc= 0.923 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -150:sc= -0.181 (180deg=-1.05) USER MOD Single : A 71 SER OG : rot 180:sc= -0.483 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 137:sc= 0.992 USER MOD Single : A 78 LYS NZ :NH3+ 163:sc= -0.0303 (180deg=-0.423) USER MOD Single : A 79 MET CE :methyl -152:sc= -0.246 (180deg=-1.38) USER MOD Single : A 81 GLN : amide:sc= -0.323 K(o=-0.32,f=-2.7!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.639 K(o=-0.64,f=-1.6) USER MOD Single : A 95 HIS : no HE2:sc= -1.38 K(o=-1.4,f=-0.84) USER MOD Single : A 96 HIS : no HE2:sc= -0.0713 K(o=-0.071,f=-0.82) USER MOD Single : A 97 HIS : no HD1:sc= -0.903 K(o=-0.9,f=-0.35) USER MOD Single : A 98 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 12 -7.283 12.317 -13.659 1.00 0.00 N ATOM 2 CA ALA A 12 -6.496 12.313 -12.392 1.00 0.00 C ATOM 3 C ALA A 12 -7.284 11.583 -11.299 1.00 0.00 C ATOM 4 O ALA A 12 -6.927 11.610 -10.138 1.00 0.00 O ATOM 5 CB ALA A 12 -6.207 13.752 -11.956 1.00 0.00 C ATOM 0 HA ALA A 12 -5.550 11.796 -12.557 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.632 13.743 -11.030 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.636 14.260 -12.733 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.147 14.279 -11.794 1.00 0.00 H new ATOM 11 N PHE A 13 -8.351 10.925 -11.666 1.00 0.00 N ATOM 12 CA PHE A 13 -9.160 10.183 -10.660 1.00 0.00 C ATOM 13 C PHE A 13 -8.304 9.079 -10.028 1.00 0.00 C ATOM 14 O PHE A 13 -8.295 8.894 -8.827 1.00 0.00 O ATOM 15 CB PHE A 13 -10.362 9.554 -11.362 1.00 0.00 C ATOM 16 CG PHE A 13 -11.250 8.892 -10.336 1.00 0.00 C ATOM 17 CD1 PHE A 13 -12.000 9.678 -9.457 1.00 0.00 C ATOM 18 CD2 PHE A 13 -11.321 7.495 -10.262 1.00 0.00 C ATOM 19 CE1 PHE A 13 -12.822 9.071 -8.502 1.00 0.00 C ATOM 20 CE2 PHE A 13 -12.143 6.886 -9.306 1.00 0.00 C ATOM 21 CZ PHE A 13 -12.894 7.675 -8.426 1.00 0.00 C ATOM 0 H PHE A 13 -8.697 10.870 -12.624 1.00 0.00 H new ATOM 0 HA PHE A 13 -9.499 10.866 -9.881 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -10.920 10.317 -11.905 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -10.026 8.821 -12.096 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -11.945 10.755 -9.515 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -10.742 6.888 -10.942 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -13.401 9.679 -7.823 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -12.198 5.809 -9.247 1.00 0.00 H new ATOM 0 HZ PHE A 13 -13.529 7.206 -7.689 1.00 0.00 H new ATOM 31 N PHE A 14 -7.584 8.345 -10.831 1.00 0.00 N ATOM 32 CA PHE A 14 -6.730 7.253 -10.286 1.00 0.00 C ATOM 33 C PHE A 14 -5.632 7.857 -9.407 1.00 0.00 C ATOM 34 O PHE A 14 -5.249 7.297 -8.398 1.00 0.00 O ATOM 35 CB PHE A 14 -6.096 6.484 -11.442 1.00 0.00 C ATOM 36 CG PHE A 14 -7.158 5.680 -12.154 1.00 0.00 C ATOM 37 CD1 PHE A 14 -7.550 4.437 -11.646 1.00 0.00 C ATOM 38 CD2 PHE A 14 -7.749 6.176 -13.323 1.00 0.00 C ATOM 39 CE1 PHE A 14 -8.532 3.689 -12.303 1.00 0.00 C ATOM 40 CE2 PHE A 14 -8.733 5.427 -13.982 1.00 0.00 C ATOM 41 CZ PHE A 14 -9.124 4.184 -13.472 1.00 0.00 C ATOM 0 H PHE A 14 -7.551 8.455 -11.844 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.339 6.574 -9.689 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.622 7.177 -12.137 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.314 5.823 -11.068 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.094 4.054 -10.745 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.446 7.135 -13.716 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.834 2.730 -11.909 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -9.189 5.809 -14.883 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.882 3.606 -13.980 1.00 0.00 H new ATOM 51 N ASN A 15 -5.123 8.994 -9.788 1.00 0.00 N ATOM 52 CA ASN A 15 -4.049 9.642 -8.985 1.00 0.00 C ATOM 53 C ASN A 15 -4.586 9.956 -7.588 1.00 0.00 C ATOM 54 O ASN A 15 -3.906 9.779 -6.595 1.00 0.00 O ATOM 55 CB ASN A 15 -3.632 10.939 -9.673 1.00 0.00 C ATOM 56 CG ASN A 15 -2.365 11.487 -9.017 1.00 0.00 C ATOM 57 OD1 ASN A 15 -1.490 10.736 -8.635 1.00 0.00 O ATOM 58 ND2 ASN A 15 -2.230 12.776 -8.867 1.00 0.00 N ATOM 0 H ASN A 15 -5.405 9.505 -10.624 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.190 8.976 -8.903 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.455 10.759 -10.733 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.435 11.673 -9.604 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.390 13.153 -8.429 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.965 13.406 -9.188 1.00 0.00 H new ATOM 65 N GLU A 16 -5.803 10.416 -7.502 1.00 0.00 N ATOM 66 CA GLU A 16 -6.388 10.740 -6.170 1.00 0.00 C ATOM 67 C GLU A 16 -6.539 9.454 -5.349 1.00 0.00 C ATOM 68 O GLU A 16 -6.298 9.433 -4.156 1.00 0.00 O ATOM 69 CB GLU A 16 -7.767 11.370 -6.371 1.00 0.00 C ATOM 70 CG GLU A 16 -7.634 12.727 -7.069 1.00 0.00 C ATOM 71 CD GLU A 16 -6.884 13.705 -6.161 1.00 0.00 C ATOM 72 OE1 GLU A 16 -6.841 13.456 -4.968 1.00 0.00 O ATOM 73 OE2 GLU A 16 -6.368 14.683 -6.675 1.00 0.00 O ATOM 0 H GLU A 16 -6.419 10.582 -8.298 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.733 11.434 -5.643 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.394 10.707 -6.967 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.261 11.496 -5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.101 12.610 -8.013 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.621 13.122 -7.308 1.00 0.00 H new ATOM 80 N GLN A 17 -6.949 8.385 -5.977 1.00 0.00 N ATOM 81 CA GLN A 17 -7.127 7.102 -5.239 1.00 0.00 C ATOM 82 C GLN A 17 -5.771 6.611 -4.723 1.00 0.00 C ATOM 83 O GLN A 17 -5.649 6.148 -3.605 1.00 0.00 O ATOM 84 CB GLN A 17 -7.711 6.058 -6.191 1.00 0.00 C ATOM 85 CG GLN A 17 -9.101 6.497 -6.657 1.00 0.00 C ATOM 86 CD GLN A 17 -10.062 6.519 -5.470 1.00 0.00 C ATOM 87 OE1 GLN A 17 -10.164 5.556 -4.739 1.00 0.00 O ATOM 88 NE2 GLN A 17 -10.782 7.585 -5.250 1.00 0.00 N ATOM 0 H GLN A 17 -7.169 8.345 -6.972 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.800 7.256 -4.395 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.054 5.929 -7.051 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.774 5.092 -5.690 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.047 7.486 -7.111 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.470 5.815 -7.423 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.696 8.394 -5.865 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.431 7.609 -4.463 1.00 0.00 H new ATOM 97 N LYS A 18 -4.753 6.705 -5.531 1.00 0.00 N ATOM 98 CA LYS A 18 -3.404 6.247 -5.096 1.00 0.00 C ATOM 99 C LYS A 18 -2.918 7.111 -3.930 1.00 0.00 C ATOM 100 O LYS A 18 -2.320 6.625 -2.989 1.00 0.00 O ATOM 101 CB LYS A 18 -2.424 6.375 -6.261 1.00 0.00 C ATOM 102 CG LYS A 18 -2.760 5.338 -7.336 1.00 0.00 C ATOM 103 CD LYS A 18 -1.675 5.342 -8.423 1.00 0.00 C ATOM 104 CE LYS A 18 -1.778 6.611 -9.277 1.00 0.00 C ATOM 105 NZ LYS A 18 -0.941 6.451 -10.502 1.00 0.00 N ATOM 0 H LYS A 18 -4.797 7.081 -6.478 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.462 5.206 -4.777 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.475 7.379 -6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.403 6.229 -5.908 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.834 4.347 -6.887 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.731 5.561 -7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.689 5.286 -7.962 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.782 4.461 -9.056 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.816 6.794 -9.554 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.444 7.476 -8.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.009 7.311 -11.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.050 6.296 -10.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.280 5.635 -11.050 1.00 0.00 H new ATOM 119 N GLU A 19 -3.157 8.391 -3.993 1.00 0.00 N ATOM 120 CA GLU A 19 -2.699 9.296 -2.901 1.00 0.00 C ATOM 121 C GLU A 19 -3.337 8.869 -1.578 1.00 0.00 C ATOM 122 O GLU A 19 -2.686 8.809 -0.552 1.00 0.00 O ATOM 123 CB GLU A 19 -3.131 10.725 -3.231 1.00 0.00 C ATOM 124 CG GLU A 19 -2.605 11.685 -2.162 1.00 0.00 C ATOM 125 CD GLU A 19 -2.985 13.121 -2.532 1.00 0.00 C ATOM 126 OE1 GLU A 19 -3.799 13.287 -3.426 1.00 0.00 O ATOM 127 OE2 GLU A 19 -2.454 14.030 -1.916 1.00 0.00 O ATOM 0 H GLU A 19 -3.652 8.852 -4.757 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.614 9.244 -2.811 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.750 11.013 -4.211 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.218 10.783 -3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.023 11.426 -1.189 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.522 11.594 -2.078 1.00 0.00 H new ATOM 134 N LYS A 20 -4.607 8.580 -1.593 1.00 0.00 N ATOM 135 CA LYS A 20 -5.296 8.164 -0.339 1.00 0.00 C ATOM 136 C LYS A 20 -4.718 6.834 0.156 1.00 0.00 C ATOM 137 O LYS A 20 -4.504 6.640 1.337 1.00 0.00 O ATOM 138 CB LYS A 20 -6.788 8.001 -0.623 1.00 0.00 C ATOM 139 CG LYS A 20 -7.402 9.366 -0.941 1.00 0.00 C ATOM 140 CD LYS A 20 -8.902 9.204 -1.203 1.00 0.00 C ATOM 141 CE LYS A 20 -9.521 10.572 -1.498 1.00 0.00 C ATOM 142 NZ LYS A 20 -10.984 10.415 -1.733 1.00 0.00 N ATOM 0 H LYS A 20 -5.200 8.614 -2.422 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.146 8.923 0.429 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.937 7.320 -1.461 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.287 7.559 0.240 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.239 10.052 -0.110 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.915 9.801 -1.813 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.064 8.531 -2.045 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.386 8.753 -0.337 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.347 11.250 -0.662 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.047 11.017 -2.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.502 11.133 -1.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.188 10.536 -2.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.284 9.466 -1.430 1.00 0.00 H new ATOM 156 N VAL A 21 -4.473 5.916 -0.737 1.00 0.00 N ATOM 157 CA VAL A 21 -3.917 4.596 -0.322 1.00 0.00 C ATOM 158 C VAL A 21 -2.518 4.789 0.265 1.00 0.00 C ATOM 159 O VAL A 21 -2.164 4.193 1.264 1.00 0.00 O ATOM 160 CB VAL A 21 -3.837 3.672 -1.536 1.00 0.00 C ATOM 161 CG1 VAL A 21 -3.148 2.366 -1.140 1.00 0.00 C ATOM 162 CG2 VAL A 21 -5.248 3.369 -2.045 1.00 0.00 C ATOM 0 H VAL A 21 -4.634 6.022 -1.739 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.567 4.151 0.432 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.265 4.161 -2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.091 1.707 -2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.142 2.580 -0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.719 1.878 -0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.189 2.710 -2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.822 2.882 -1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.739 4.299 -2.330 1.00 0.00 H new ATOM 172 N THR A 22 -1.713 5.607 -0.355 1.00 0.00 N ATOM 173 CA THR A 22 -0.334 5.830 0.158 1.00 0.00 C ATOM 174 C THR A 22 -0.419 6.382 1.579 1.00 0.00 C ATOM 175 O THR A 22 0.284 5.949 2.471 1.00 0.00 O ATOM 176 CB THR A 22 0.368 6.855 -0.734 1.00 0.00 C ATOM 177 OG1 THR A 22 0.200 6.492 -2.096 1.00 0.00 O ATOM 178 CG2 THR A 22 1.859 6.902 -0.396 1.00 0.00 C ATOM 0 H THR A 22 -1.952 6.131 -1.197 1.00 0.00 H new ATOM 0 HA THR A 22 0.222 4.893 0.155 1.00 0.00 H new ATOM 0 HB THR A 22 -0.069 7.839 -0.563 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.638 6.871 -2.435 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.354 7.634 -1.034 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.987 7.187 0.648 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.301 5.919 -0.561 1.00 0.00 H new ATOM 186 N LEU A 23 -1.278 7.334 1.795 1.00 0.00 N ATOM 187 CA LEU A 23 -1.415 7.919 3.155 1.00 0.00 C ATOM 188 C LEU A 23 -1.906 6.841 4.121 1.00 0.00 C ATOM 189 O LEU A 23 -1.438 6.740 5.238 1.00 0.00 O ATOM 190 CB LEU A 23 -2.420 9.072 3.103 1.00 0.00 C ATOM 191 CG LEU A 23 -2.579 9.709 4.493 1.00 0.00 C ATOM 192 CD1 LEU A 23 -1.225 10.239 4.998 1.00 0.00 C ATOM 193 CD2 LEU A 23 -3.589 10.864 4.402 1.00 0.00 C ATOM 0 H LEU A 23 -1.893 7.734 1.087 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.452 8.295 3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.084 9.823 2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.385 8.706 2.751 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.939 8.957 5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.354 10.687 5.983 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.514 9.416 5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.847 10.990 4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.708 11.322 5.384 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.226 11.610 3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.551 10.480 4.062 1.00 0.00 H new ATOM 205 N TYR A 24 -2.847 6.037 3.699 1.00 0.00 N ATOM 206 CA TYR A 24 -3.377 4.966 4.590 1.00 0.00 C ATOM 207 C TYR A 24 -2.234 4.040 5.002 1.00 0.00 C ATOM 208 O TYR A 24 -2.086 3.694 6.159 1.00 0.00 O ATOM 209 CB TYR A 24 -4.433 4.162 3.828 1.00 0.00 C ATOM 210 CG TYR A 24 -4.884 2.990 4.671 1.00 0.00 C ATOM 211 CD1 TYR A 24 -5.734 3.198 5.764 1.00 0.00 C ATOM 212 CD2 TYR A 24 -4.448 1.694 4.361 1.00 0.00 C ATOM 213 CE1 TYR A 24 -6.149 2.112 6.546 1.00 0.00 C ATOM 214 CE2 TYR A 24 -4.862 0.609 5.144 1.00 0.00 C ATOM 215 CZ TYR A 24 -5.712 0.819 6.235 1.00 0.00 C ATOM 216 OH TYR A 24 -6.117 -0.249 7.009 1.00 0.00 O ATOM 0 H TYR A 24 -3.272 6.077 2.772 1.00 0.00 H new ATOM 0 HA TYR A 24 -3.823 5.411 5.480 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.284 4.798 3.586 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.022 3.807 2.883 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.070 4.196 6.004 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.793 1.532 3.518 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.806 2.272 7.388 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.525 -0.389 4.906 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.072 -0.416 6.863 1.00 0.00 H new ATOM 226 N LEU A 25 -1.431 3.639 4.061 1.00 0.00 N ATOM 227 CA LEU A 25 -0.293 2.736 4.373 1.00 0.00 C ATOM 228 C LEU A 25 0.822 3.529 5.062 1.00 0.00 C ATOM 229 O LEU A 25 1.655 2.979 5.754 1.00 0.00 O ATOM 230 CB LEU A 25 0.225 2.136 3.069 1.00 0.00 C ATOM 231 CG LEU A 25 -0.866 1.259 2.433 1.00 0.00 C ATOM 232 CD1 LEU A 25 -0.418 0.838 1.029 1.00 0.00 C ATOM 233 CD2 LEU A 25 -1.129 0.004 3.293 1.00 0.00 C ATOM 0 H LEU A 25 -1.515 3.901 3.079 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.621 1.940 5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.513 2.931 2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.118 1.541 3.261 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.790 1.834 2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.188 0.216 0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.259 1.725 0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.512 0.273 1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.904 -0.602 2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.212 -0.580 3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.457 0.307 4.288 1.00 0.00 H new ATOM 245 N LYS A 26 0.851 4.817 4.863 1.00 0.00 N ATOM 246 CA LYS A 26 1.916 5.652 5.491 1.00 0.00 C ATOM 247 C LYS A 26 1.803 5.619 7.020 1.00 0.00 C ATOM 248 O LYS A 26 2.779 5.423 7.719 1.00 0.00 O ATOM 249 CB LYS A 26 1.754 7.091 5.009 1.00 0.00 C ATOM 250 CG LYS A 26 2.907 7.943 5.542 1.00 0.00 C ATOM 251 CD LYS A 26 2.790 9.364 4.989 1.00 0.00 C ATOM 252 CE LYS A 26 3.961 10.207 5.496 1.00 0.00 C ATOM 253 NZ LYS A 26 3.927 10.259 6.985 1.00 0.00 N ATOM 0 H LYS A 26 0.181 5.330 4.290 1.00 0.00 H new ATOM 0 HA LYS A 26 2.891 5.257 5.207 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.740 7.121 3.920 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.801 7.495 5.351 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.885 7.963 6.632 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.862 7.505 5.250 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.789 9.342 3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.845 9.810 5.300 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.905 9.779 5.158 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.903 11.215 5.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.469 11.083 7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.941 10.340 7.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.347 9.390 7.372 1.00 0.00 H new ATOM 267 N HIS A 27 0.625 5.826 7.549 1.00 0.00 N ATOM 268 CA HIS A 27 0.465 5.826 9.032 1.00 0.00 C ATOM 269 C HIS A 27 0.351 4.384 9.541 1.00 0.00 C ATOM 270 O HIS A 27 0.825 4.050 10.609 1.00 0.00 O ATOM 271 CB HIS A 27 -0.797 6.620 9.396 1.00 0.00 C ATOM 272 CG HIS A 27 -2.022 5.831 9.024 1.00 0.00 C ATOM 273 ND1 HIS A 27 -2.507 4.802 9.816 1.00 0.00 N ATOM 274 CD2 HIS A 27 -2.864 5.905 7.946 1.00 0.00 C ATOM 275 CE1 HIS A 27 -3.596 4.301 9.205 1.00 0.00 C ATOM 276 NE2 HIS A 27 -3.857 4.936 8.059 1.00 0.00 N ATOM 0 H HIS A 27 -0.230 5.994 7.019 1.00 0.00 H new ATOM 0 HA HIS A 27 1.333 6.291 9.499 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -0.805 6.838 10.464 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -0.798 7.577 8.875 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.771 6.609 7.132 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.187 3.485 9.594 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -4.619 4.751 7.407 1.00 0.00 H new ATOM 284 N ASN A 28 -0.285 3.532 8.787 1.00 0.00 N ATOM 285 CA ASN A 28 -0.439 2.118 9.227 1.00 0.00 C ATOM 286 C ASN A 28 0.934 1.448 9.318 1.00 0.00 C ATOM 287 O ASN A 28 1.201 0.688 10.230 1.00 0.00 O ATOM 288 CB ASN A 28 -1.310 1.369 8.211 1.00 0.00 C ATOM 289 CG ASN A 28 -2.792 1.623 8.492 1.00 0.00 C ATOM 290 OD1 ASN A 28 -3.284 1.306 9.558 1.00 0.00 O ATOM 291 ND2 ASN A 28 -3.531 2.179 7.573 1.00 0.00 N ATOM 0 H ASN A 28 -0.705 3.754 7.884 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.912 2.092 10.209 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.064 1.695 7.200 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.101 0.300 8.261 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.522 2.348 7.748 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.119 2.445 6.679 1.00 0.00 H new ATOM 298 N ILE A 29 1.796 1.711 8.369 1.00 0.00 N ATOM 299 CA ILE A 29 3.152 1.084 8.373 1.00 0.00 C ATOM 300 C ILE A 29 4.228 2.182 8.364 1.00 0.00 C ATOM 301 O ILE A 29 4.691 2.594 7.319 1.00 0.00 O ATOM 302 CB ILE A 29 3.294 0.204 7.130 1.00 0.00 C ATOM 303 CG1 ILE A 29 2.179 -0.848 7.137 1.00 0.00 C ATOM 304 CG2 ILE A 29 4.652 -0.498 7.164 1.00 0.00 C ATOM 305 CD1 ILE A 29 2.138 -1.575 5.792 1.00 0.00 C ATOM 0 H ILE A 29 1.617 2.339 7.585 1.00 0.00 H new ATOM 0 HA ILE A 29 3.277 0.475 9.268 1.00 0.00 H new ATOM 0 HB ILE A 29 3.221 0.815 6.230 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.348 -1.564 7.942 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.219 -0.371 7.331 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.759 -1.127 6.280 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.447 0.248 7.177 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.720 -1.116 8.059 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.343 -2.321 5.806 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.947 -0.856 4.995 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.094 -2.067 5.615 1.00 0.00 H new ATOM 317 N PRO A 30 4.628 2.649 9.526 1.00 0.00 N ATOM 318 CA PRO A 30 5.673 3.713 9.655 1.00 0.00 C ATOM 319 C PRO A 30 6.963 3.331 8.917 1.00 0.00 C ATOM 320 O PRO A 30 7.696 4.177 8.442 1.00 0.00 O ATOM 321 CB PRO A 30 5.919 3.808 11.174 1.00 0.00 C ATOM 322 CG PRO A 30 4.680 3.263 11.811 1.00 0.00 C ATOM 323 CD PRO A 30 4.121 2.220 10.841 1.00 0.00 C ATOM 0 HA PRO A 30 5.355 4.658 9.215 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.797 3.232 11.467 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.097 4.839 11.480 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.906 2.813 12.778 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.954 4.056 11.990 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.464 1.216 11.093 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.031 2.199 10.861 1.00 0.00 H new ATOM 331 N ASP A 31 7.241 2.061 8.824 1.00 0.00 N ATOM 332 CA ASP A 31 8.474 1.613 8.121 1.00 0.00 C ATOM 333 C ASP A 31 8.213 1.627 6.614 1.00 0.00 C ATOM 334 O ASP A 31 9.033 1.209 5.823 1.00 0.00 O ATOM 335 CB ASP A 31 8.824 0.195 8.570 1.00 0.00 C ATOM 336 CG ASP A 31 9.280 0.217 10.032 1.00 0.00 C ATOM 337 OD1 ASP A 31 9.547 1.296 10.533 1.00 0.00 O ATOM 338 OD2 ASP A 31 9.352 -0.847 10.625 1.00 0.00 O ATOM 0 H ASP A 31 6.665 1.311 9.206 1.00 0.00 H new ATOM 0 HA ASP A 31 9.304 2.279 8.357 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.958 -0.457 8.459 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.613 -0.213 7.938 1.00 0.00 H new ATOM 343 N PHE A 32 7.065 2.102 6.218 1.00 0.00 N ATOM 344 CA PHE A 32 6.726 2.143 4.771 1.00 0.00 C ATOM 345 C PHE A 32 7.801 2.912 3.995 1.00 0.00 C ATOM 346 O PHE A 32 8.190 4.005 4.360 1.00 0.00 O ATOM 347 CB PHE A 32 5.370 2.841 4.595 1.00 0.00 C ATOM 348 CG PHE A 32 5.128 3.135 3.129 1.00 0.00 C ATOM 349 CD1 PHE A 32 4.863 2.088 2.241 1.00 0.00 C ATOM 350 CD2 PHE A 32 5.182 4.454 2.661 1.00 0.00 C ATOM 351 CE1 PHE A 32 4.652 2.359 0.885 1.00 0.00 C ATOM 352 CE2 PHE A 32 4.967 4.725 1.305 1.00 0.00 C ATOM 353 CZ PHE A 32 4.705 3.676 0.418 1.00 0.00 C ATOM 0 H PHE A 32 6.343 2.466 6.840 1.00 0.00 H new ATOM 0 HA PHE A 32 6.675 1.125 4.385 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.572 2.208 4.985 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.351 3.768 5.169 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.821 1.071 2.602 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.390 5.262 3.347 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.448 1.551 0.198 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.003 5.742 0.944 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.543 3.883 -0.629 1.00 0.00 H new ATOM 363 N ASN A 33 8.265 2.345 2.911 1.00 0.00 N ATOM 364 CA ASN A 33 9.298 3.021 2.075 1.00 0.00 C ATOM 365 C ASN A 33 8.631 3.611 0.834 1.00 0.00 C ATOM 366 O ASN A 33 8.578 4.812 0.653 1.00 0.00 O ATOM 367 CB ASN A 33 10.326 1.987 1.633 1.00 0.00 C ATOM 368 CG ASN A 33 11.385 2.660 0.763 1.00 0.00 C ATOM 369 OD1 ASN A 33 11.214 3.787 0.340 1.00 0.00 O ATOM 370 ND2 ASN A 33 12.477 2.011 0.469 1.00 0.00 N ATOM 0 H ASN A 33 7.968 1.432 2.567 1.00 0.00 H new ATOM 0 HA ASN A 33 9.780 3.812 2.650 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.794 1.528 2.504 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.837 1.188 1.076 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.189 2.449 -0.116 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.620 1.066 0.824 1.00 0.00 H new ATOM 377 N THR A 34 8.116 2.773 -0.027 1.00 0.00 N ATOM 378 CA THR A 34 7.449 3.281 -1.260 1.00 0.00 C ATOM 379 C THR A 34 6.345 2.315 -1.688 1.00 0.00 C ATOM 380 O THR A 34 6.283 1.188 -1.234 1.00 0.00 O ATOM 381 CB THR A 34 8.476 3.411 -2.385 1.00 0.00 C ATOM 382 OG1 THR A 34 7.806 3.726 -3.598 1.00 0.00 O ATOM 383 CG2 THR A 34 9.236 2.095 -2.546 1.00 0.00 C ATOM 0 H THR A 34 8.129 1.758 0.071 1.00 0.00 H new ATOM 0 HA THR A 34 7.013 4.258 -1.052 1.00 0.00 H new ATOM 0 HB THR A 34 9.183 4.204 -2.141 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.462 3.812 -4.321 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.967 2.193 -3.349 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.750 1.855 -1.615 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.534 1.297 -2.789 1.00 0.00 H new ATOM 391 N VAL A 35 5.472 2.754 -2.563 1.00 0.00 N ATOM 392 CA VAL A 35 4.357 1.881 -3.040 1.00 0.00 C ATOM 393 C VAL A 35 4.350 1.872 -4.566 1.00 0.00 C ATOM 394 O VAL A 35 4.488 2.902 -5.198 1.00 0.00 O ATOM 395 CB VAL A 35 3.018 2.431 -2.531 1.00 0.00 C ATOM 396 CG1 VAL A 35 2.878 3.913 -2.911 1.00 0.00 C ATOM 397 CG2 VAL A 35 1.865 1.632 -3.152 1.00 0.00 C ATOM 0 H VAL A 35 5.486 3.689 -2.970 1.00 0.00 H new ATOM 0 HA VAL A 35 4.499 0.868 -2.663 1.00 0.00 H new ATOM 0 HB VAL A 35 2.985 2.337 -1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.924 4.294 -2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.692 4.482 -2.462 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.918 4.016 -3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.914 2.024 -2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.904 1.721 -4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.956 0.583 -2.870 1.00 0.00 H new ATOM 407 N THR A 36 4.193 0.715 -5.164 1.00 0.00 N ATOM 408 CA THR A 36 4.173 0.623 -6.655 1.00 0.00 C ATOM 409 C THR A 36 2.905 -0.104 -7.104 1.00 0.00 C ATOM 410 O THR A 36 2.643 -1.223 -6.705 1.00 0.00 O ATOM 411 CB THR A 36 5.406 -0.151 -7.123 1.00 0.00 C ATOM 412 OG1 THR A 36 6.577 0.547 -6.721 1.00 0.00 O ATOM 413 CG2 THR A 36 5.386 -0.283 -8.646 1.00 0.00 C ATOM 0 H THR A 36 4.077 -0.174 -4.678 1.00 0.00 H new ATOM 0 HA THR A 36 4.183 1.623 -7.088 1.00 0.00 H new ATOM 0 HB THR A 36 5.401 -1.146 -6.678 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.370 0.053 -7.017 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.266 -0.835 -8.975 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.487 -0.817 -8.953 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.390 0.709 -9.097 1.00 0.00 H new ATOM 421 N PHE A 37 2.117 0.524 -7.938 1.00 0.00 N ATOM 422 CA PHE A 37 0.864 -0.120 -8.426 1.00 0.00 C ATOM 423 C PHE A 37 1.128 -0.789 -9.771 1.00 0.00 C ATOM 424 O PHE A 37 1.884 -0.289 -10.581 1.00 0.00 O ATOM 425 CB PHE A 37 -0.219 0.946 -8.592 1.00 0.00 C ATOM 426 CG PHE A 37 -0.477 1.614 -7.263 1.00 0.00 C ATOM 427 CD1 PHE A 37 -1.259 0.971 -6.297 1.00 0.00 C ATOM 428 CD2 PHE A 37 0.062 2.880 -6.997 1.00 0.00 C ATOM 429 CE1 PHE A 37 -1.502 1.590 -5.065 1.00 0.00 C ATOM 430 CE2 PHE A 37 -0.181 3.499 -5.764 1.00 0.00 C ATOM 431 CZ PHE A 37 -0.963 2.854 -4.798 1.00 0.00 C ATOM 0 H PHE A 37 2.290 1.461 -8.303 1.00 0.00 H new ATOM 0 HA PHE A 37 0.533 -0.869 -7.707 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.094 1.686 -9.328 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.136 0.492 -8.967 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.676 -0.004 -6.502 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.664 3.378 -7.742 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.105 1.092 -4.320 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.235 4.474 -5.558 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.150 3.331 -3.848 1.00 0.00 H new ATOM 441 N THR A 38 0.511 -1.915 -10.024 1.00 0.00 N ATOM 442 CA THR A 38 0.730 -2.608 -11.328 1.00 0.00 C ATOM 443 C THR A 38 -0.589 -3.238 -11.774 1.00 0.00 C ATOM 444 O THR A 38 -0.623 -4.105 -12.623 1.00 0.00 O ATOM 445 CB THR A 38 1.812 -3.690 -11.168 1.00 0.00 C ATOM 446 OG1 THR A 38 1.514 -4.792 -12.011 1.00 0.00 O ATOM 447 CG2 THR A 38 1.863 -4.164 -9.714 1.00 0.00 C ATOM 0 H THR A 38 -0.133 -2.383 -9.386 1.00 0.00 H new ATOM 0 HA THR A 38 1.066 -1.894 -12.080 1.00 0.00 H new ATOM 0 HB THR A 38 2.779 -3.269 -11.445 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.007 -4.481 -12.790 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.631 -4.930 -9.608 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.099 -3.321 -9.065 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.895 -4.579 -9.432 1.00 0.00 H new ATOM 455 N ASN A 39 -1.683 -2.795 -11.212 1.00 0.00 N ATOM 456 CA ASN A 39 -3.004 -3.357 -11.608 1.00 0.00 C ATOM 457 C ASN A 39 -4.099 -2.332 -11.316 1.00 0.00 C ATOM 458 O ASN A 39 -4.343 -1.981 -10.179 1.00 0.00 O ATOM 459 CB ASN A 39 -3.284 -4.641 -10.817 1.00 0.00 C ATOM 460 CG ASN A 39 -4.400 -5.432 -11.505 1.00 0.00 C ATOM 461 OD1 ASN A 39 -4.917 -5.016 -12.523 1.00 0.00 O ATOM 462 ND2 ASN A 39 -4.800 -6.563 -10.990 1.00 0.00 N ATOM 0 H ASN A 39 -1.717 -2.069 -10.497 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.991 -3.588 -12.673 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.380 -5.247 -10.754 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.574 -4.395 -9.796 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.544 -7.094 -11.442 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.368 -6.915 -10.136 1.00 0.00 H new ATOM 469 N GLU A 40 -4.765 -1.859 -12.334 1.00 0.00 N ATOM 470 CA GLU A 40 -5.859 -0.864 -12.134 1.00 0.00 C ATOM 471 C GLU A 40 -7.019 -1.233 -13.051 1.00 0.00 C ATOM 472 O GLU A 40 -7.068 -0.815 -14.191 1.00 0.00 O ATOM 473 CB GLU A 40 -5.342 0.533 -12.487 1.00 0.00 C ATOM 474 CG GLU A 40 -4.306 0.958 -11.446 1.00 0.00 C ATOM 475 CD GLU A 40 -3.750 2.338 -11.803 1.00 0.00 C ATOM 476 OE1 GLU A 40 -4.203 2.903 -12.783 1.00 0.00 O ATOM 477 OE2 GLU A 40 -2.883 2.807 -11.083 1.00 0.00 O ATOM 0 H GLU A 40 -4.597 -2.122 -13.305 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.192 -0.868 -11.096 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.897 0.529 -13.482 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.167 1.245 -12.510 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.761 0.984 -10.456 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.497 0.229 -11.406 1.00 0.00 H new ATOM 484 N GLU A 41 -7.951 -2.025 -12.564 1.00 0.00 N ATOM 485 CA GLU A 41 -9.114 -2.439 -13.415 1.00 0.00 C ATOM 486 C GLU A 41 -10.412 -1.938 -12.800 1.00 0.00 C ATOM 487 O GLU A 41 -10.556 -1.849 -11.596 1.00 0.00 O ATOM 488 CB GLU A 41 -9.166 -3.967 -13.525 1.00 0.00 C ATOM 489 CG GLU A 41 -10.341 -4.364 -14.430 1.00 0.00 C ATOM 490 CD GLU A 41 -10.352 -5.879 -14.633 1.00 0.00 C ATOM 491 OE1 GLU A 41 -9.345 -6.504 -14.349 1.00 0.00 O ATOM 492 OE2 GLU A 41 -11.370 -6.389 -15.075 1.00 0.00 O ATOM 0 H GLU A 41 -7.955 -2.401 -11.616 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.991 -2.007 -14.408 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.230 -4.347 -13.935 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.285 -4.412 -12.537 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.281 -4.041 -13.983 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.256 -3.860 -15.393 1.00 0.00 H new ATOM 499 N PHE A 42 -11.367 -1.616 -13.631 1.00 0.00 N ATOM 500 CA PHE A 42 -12.674 -1.122 -13.125 1.00 0.00 C ATOM 501 C PHE A 42 -13.670 -2.277 -13.082 1.00 0.00 C ATOM 502 O PHE A 42 -13.957 -2.898 -14.087 1.00 0.00 O ATOM 503 CB PHE A 42 -13.187 -0.029 -14.063 1.00 0.00 C ATOM 504 CG PHE A 42 -13.323 -0.573 -15.467 1.00 0.00 C ATOM 505 CD1 PHE A 42 -12.222 -0.560 -16.332 1.00 0.00 C ATOM 506 CD2 PHE A 42 -14.552 -1.081 -15.908 1.00 0.00 C ATOM 507 CE1 PHE A 42 -12.348 -1.054 -17.636 1.00 0.00 C ATOM 508 CE2 PHE A 42 -14.679 -1.572 -17.212 1.00 0.00 C ATOM 509 CZ PHE A 42 -13.577 -1.560 -18.076 1.00 0.00 C ATOM 0 H PHE A 42 -11.294 -1.676 -14.647 1.00 0.00 H new ATOM 0 HA PHE A 42 -12.556 -0.716 -12.121 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -14.151 0.340 -13.712 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -12.501 0.818 -14.057 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -11.274 -0.168 -15.993 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -15.402 -1.094 -15.241 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.498 -1.045 -18.302 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -15.627 -1.960 -17.552 1.00 0.00 H new ATOM 0 HZ PHE A 42 -13.675 -1.941 -19.082 1.00 0.00 H new ATOM 519 N ASN A 43 -14.203 -2.574 -11.921 1.00 0.00 N ATOM 520 CA ASN A 43 -15.187 -3.692 -11.803 1.00 0.00 C ATOM 521 C ASN A 43 -16.600 -3.101 -11.683 1.00 0.00 C ATOM 522 O ASN A 43 -16.759 -1.987 -11.221 1.00 0.00 O ATOM 523 CB ASN A 43 -14.870 -4.508 -10.544 1.00 0.00 C ATOM 524 CG ASN A 43 -13.718 -5.475 -10.830 1.00 0.00 C ATOM 525 OD1 ASN A 43 -13.541 -5.914 -11.949 1.00 0.00 O ATOM 526 ND2 ASN A 43 -12.925 -5.828 -9.859 1.00 0.00 N ATOM 0 H ASN A 43 -13.997 -2.088 -11.048 1.00 0.00 H new ATOM 0 HA ASN A 43 -15.129 -4.335 -12.681 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -14.602 -3.841 -9.725 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -15.753 -5.063 -10.227 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.155 -6.473 -10.038 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.074 -5.459 -8.920 1.00 0.00 H new ATOM 533 N PRO A 44 -17.624 -3.835 -12.069 1.00 0.00 N ATOM 534 CA PRO A 44 -19.034 -3.343 -11.969 1.00 0.00 C ATOM 535 C PRO A 44 -19.341 -2.787 -10.570 1.00 0.00 C ATOM 536 O PRO A 44 -19.992 -1.772 -10.417 1.00 0.00 O ATOM 537 CB PRO A 44 -19.879 -4.601 -12.238 1.00 0.00 C ATOM 538 CG PRO A 44 -19.005 -5.497 -13.057 1.00 0.00 C ATOM 539 CD PRO A 44 -17.560 -5.195 -12.645 1.00 0.00 C ATOM 0 HA PRO A 44 -19.235 -2.528 -12.664 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -20.173 -5.084 -11.306 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -20.796 -4.352 -12.771 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -19.248 -6.544 -12.878 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -19.151 -5.313 -14.121 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -17.194 -5.919 -11.917 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -16.886 -5.234 -13.500 1.00 0.00 H new ATOM 547 N ILE A 45 -18.860 -3.445 -9.555 1.00 0.00 N ATOM 548 CA ILE A 45 -19.102 -2.967 -8.168 1.00 0.00 C ATOM 549 C ILE A 45 -18.354 -1.650 -7.956 1.00 0.00 C ATOM 550 O ILE A 45 -18.854 -0.732 -7.336 1.00 0.00 O ATOM 551 CB ILE A 45 -18.591 -4.015 -7.175 1.00 0.00 C ATOM 552 CG1 ILE A 45 -19.472 -5.266 -7.255 1.00 0.00 C ATOM 553 CG2 ILE A 45 -18.633 -3.451 -5.750 1.00 0.00 C ATOM 554 CD1 ILE A 45 -18.795 -6.421 -6.513 1.00 0.00 C ATOM 0 H ILE A 45 -18.306 -4.299 -9.627 1.00 0.00 H new ATOM 0 HA ILE A 45 -20.169 -2.810 -8.010 1.00 0.00 H new ATOM 0 HB ILE A 45 -17.563 -4.274 -7.426 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -20.449 -5.063 -6.817 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -19.640 -5.539 -8.297 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -18.268 -4.203 -5.050 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -18.002 -2.564 -5.691 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -19.659 -3.185 -5.494 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -19.424 -7.309 -6.572 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -17.828 -6.630 -6.970 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -18.650 -6.147 -5.468 1.00 0.00 H new ATOM 566 N GLY A 46 -17.152 -1.559 -8.450 1.00 0.00 N ATOM 567 CA GLY A 46 -16.370 -0.311 -8.260 1.00 0.00 C ATOM 568 C GLY A 46 -15.019 -0.438 -8.957 1.00 0.00 C ATOM 569 O GLY A 46 -14.948 -0.735 -10.133 1.00 0.00 O ATOM 0 H GLY A 46 -16.679 -2.294 -8.976 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -16.920 0.539 -8.664 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -16.225 -0.120 -7.197 1.00 0.00 H new ATOM 573 N ILE A 47 -13.943 -0.213 -8.238 1.00 0.00 N ATOM 574 CA ILE A 47 -12.580 -0.318 -8.850 1.00 0.00 C ATOM 575 C ILE A 47 -11.695 -1.230 -8.002 1.00 0.00 C ATOM 576 O ILE A 47 -11.868 -1.337 -6.804 1.00 0.00 O ATOM 577 CB ILE A 47 -11.965 1.079 -8.937 1.00 0.00 C ATOM 578 CG1 ILE A 47 -11.900 1.710 -7.539 1.00 0.00 C ATOM 579 CG2 ILE A 47 -12.827 1.952 -9.849 1.00 0.00 C ATOM 580 CD1 ILE A 47 -11.197 3.068 -7.621 1.00 0.00 C ATOM 0 H ILE A 47 -13.952 0.040 -7.250 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.659 -0.745 -9.850 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.956 1.004 -9.342 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.906 1.833 -7.137 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.363 1.052 -6.856 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.393 2.950 -9.914 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.869 1.508 -10.844 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -13.835 2.021 -9.440 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.152 3.515 -6.628 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.186 2.932 -8.004 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.753 3.726 -8.290 1.00 0.00 H new ATOM 592 N SER A 48 -10.741 -1.883 -8.622 1.00 0.00 N ATOM 593 CA SER A 48 -9.824 -2.792 -7.872 1.00 0.00 C ATOM 594 C SER A 48 -8.380 -2.399 -8.181 1.00 0.00 C ATOM 595 O SER A 48 -7.962 -2.386 -9.327 1.00 0.00 O ATOM 596 CB SER A 48 -10.067 -4.233 -8.315 1.00 0.00 C ATOM 597 OG SER A 48 -11.466 -4.484 -8.341 1.00 0.00 O ATOM 0 H SER A 48 -10.559 -1.823 -9.624 1.00 0.00 H new ATOM 0 HA SER A 48 -10.009 -2.708 -6.801 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.637 -4.400 -9.303 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.574 -4.924 -7.632 1.00 0.00 H new ATOM 0 HG SER A 48 -11.702 -5.099 -7.615 1.00 0.00 H new ATOM 603 N ILE A 49 -7.618 -2.080 -7.162 1.00 0.00 N ATOM 604 CA ILE A 49 -6.192 -1.682 -7.366 1.00 0.00 C ATOM 605 C ILE A 49 -5.287 -2.599 -6.553 1.00 0.00 C ATOM 606 O ILE A 49 -5.510 -2.818 -5.378 1.00 0.00 O ATOM 607 CB ILE A 49 -5.996 -0.239 -6.904 1.00 0.00 C ATOM 608 CG1 ILE A 49 -6.817 0.685 -7.805 1.00 0.00 C ATOM 609 CG2 ILE A 49 -4.511 0.130 -6.998 1.00 0.00 C ATOM 610 CD1 ILE A 49 -6.835 2.095 -7.215 1.00 0.00 C ATOM 0 H ILE A 49 -7.927 -2.079 -6.190 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.940 -1.765 -8.423 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.325 -0.131 -5.871 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.390 0.705 -8.808 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.835 0.307 -7.900 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.370 1.159 -6.669 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.929 -0.537 -6.362 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.176 0.031 -8.030 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.421 2.751 -7.859 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.282 2.068 -6.221 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.815 2.473 -7.144 1.00 0.00 H new ATOM 622 N ASP A 50 -4.262 -3.135 -7.170 1.00 0.00 N ATOM 623 CA ASP A 50 -3.324 -4.043 -6.441 1.00 0.00 C ATOM 624 C ASP A 50 -1.882 -3.588 -6.683 1.00 0.00 C ATOM 625 O ASP A 50 -1.550 -3.032 -7.717 1.00 0.00 O ATOM 626 CB ASP A 50 -3.498 -5.478 -6.950 1.00 0.00 C ATOM 627 CG ASP A 50 -2.835 -6.451 -5.973 1.00 0.00 C ATOM 628 OD1 ASP A 50 -3.459 -6.777 -4.977 1.00 0.00 O ATOM 629 OD2 ASP A 50 -1.712 -6.851 -6.237 1.00 0.00 O ATOM 0 H ASP A 50 -4.034 -2.981 -8.152 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.543 -4.008 -5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.558 -5.713 -7.051 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.053 -5.580 -7.940 1.00 0.00 H new ATOM 634 N GLY A 51 -1.020 -3.818 -5.734 1.00 0.00 N ATOM 635 CA GLY A 51 0.396 -3.398 -5.910 1.00 0.00 C ATOM 636 C GLY A 51 1.221 -3.912 -4.737 1.00 0.00 C ATOM 637 O GLY A 51 0.760 -4.726 -3.962 1.00 0.00 O ATOM 0 H GLY A 51 -1.233 -4.276 -4.848 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.790 -3.791 -6.847 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.461 -2.311 -5.967 1.00 0.00 H new ATOM 641 N TYR A 52 2.438 -3.445 -4.592 1.00 0.00 N ATOM 642 CA TYR A 52 3.290 -3.915 -3.455 1.00 0.00 C ATOM 643 C TYR A 52 4.125 -2.765 -2.910 1.00 0.00 C ATOM 644 O TYR A 52 4.259 -1.728 -3.532 1.00 0.00 O ATOM 645 CB TYR A 52 4.216 -5.041 -3.917 1.00 0.00 C ATOM 646 CG TYR A 52 4.910 -4.653 -5.205 1.00 0.00 C ATOM 647 CD1 TYR A 52 6.006 -3.780 -5.186 1.00 0.00 C ATOM 648 CD2 TYR A 52 4.461 -5.181 -6.420 1.00 0.00 C ATOM 649 CE1 TYR A 52 6.649 -3.437 -6.384 1.00 0.00 C ATOM 650 CE2 TYR A 52 5.105 -4.841 -7.615 1.00 0.00 C ATOM 651 CZ TYR A 52 6.199 -3.969 -7.597 1.00 0.00 C ATOM 652 OH TYR A 52 6.836 -3.638 -8.776 1.00 0.00 O ATOM 0 H TYR A 52 2.876 -2.761 -5.209 1.00 0.00 H new ATOM 0 HA TYR A 52 2.635 -4.288 -2.667 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.957 -5.252 -3.146 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.642 -5.956 -4.066 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.355 -3.372 -4.249 1.00 0.00 H new ATOM 0 HD2 TYR A 52 3.615 -5.853 -6.436 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.492 -2.762 -6.370 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.757 -5.252 -8.551 1.00 0.00 H new ATOM 0 HH TYR A 52 6.398 -4.095 -9.524 1.00 0.00 H new ATOM 662 N ILE A 53 4.679 -2.950 -1.733 1.00 0.00 N ATOM 663 CA ILE A 53 5.511 -1.875 -1.100 1.00 0.00 C ATOM 664 C ILE A 53 6.931 -2.388 -0.835 1.00 0.00 C ATOM 665 O ILE A 53 7.177 -3.577 -0.769 1.00 0.00 O ATOM 666 CB ILE A 53 4.861 -1.449 0.223 1.00 0.00 C ATOM 667 CG1 ILE A 53 4.744 -2.653 1.170 1.00 0.00 C ATOM 668 CG2 ILE A 53 3.460 -0.888 -0.052 1.00 0.00 C ATOM 669 CD1 ILE A 53 4.269 -2.180 2.546 1.00 0.00 C ATOM 0 H ILE A 53 4.590 -3.803 -1.182 1.00 0.00 H new ATOM 0 HA ILE A 53 5.568 -1.022 -1.776 1.00 0.00 H new ATOM 0 HB ILE A 53 5.483 -0.685 0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.043 -3.382 0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.708 -3.153 1.259 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.998 -0.585 0.888 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.537 -0.025 -0.713 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.848 -1.655 -0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.187 -3.036 3.216 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.986 -1.468 2.953 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.295 -1.700 2.449 1.00 0.00 H new ATOM 681 N ASN A 54 7.866 -1.486 -0.684 1.00 0.00 N ATOM 682 CA ASN A 54 9.280 -1.888 -0.425 1.00 0.00 C ATOM 683 C ASN A 54 9.771 -2.794 -1.560 1.00 0.00 C ATOM 684 O ASN A 54 10.582 -3.677 -1.363 1.00 0.00 O ATOM 685 CB ASN A 54 9.371 -2.626 0.919 1.00 0.00 C ATOM 686 CG ASN A 54 8.655 -1.806 1.996 1.00 0.00 C ATOM 687 OD1 ASN A 54 7.713 -1.098 1.708 1.00 0.00 O ATOM 688 ND2 ASN A 54 9.068 -1.868 3.236 1.00 0.00 N ATOM 0 H ASN A 54 7.708 -0.479 -0.730 1.00 0.00 H new ATOM 0 HA ASN A 54 9.909 -0.999 -0.382 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.917 -3.614 0.836 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.415 -2.777 1.194 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.598 -1.322 3.958 1.00 0.00 H new ATOM 0 HD22 ASN A 54 9.860 -2.463 3.481 1.00 0.00 H new ATOM 695 N ASN A 55 9.293 -2.566 -2.752 1.00 0.00 N ATOM 696 CA ASN A 55 9.732 -3.389 -3.917 1.00 0.00 C ATOM 697 C ASN A 55 9.699 -4.875 -3.554 1.00 0.00 C ATOM 698 O ASN A 55 10.490 -5.658 -4.049 1.00 0.00 O ATOM 699 CB ASN A 55 11.148 -2.985 -4.338 1.00 0.00 C ATOM 700 CG ASN A 55 11.099 -1.606 -5.001 1.00 0.00 C ATOM 701 OD1 ASN A 55 10.046 -1.152 -5.400 1.00 0.00 O ATOM 702 ND2 ASN A 55 12.200 -0.918 -5.142 1.00 0.00 N ATOM 0 H ASN A 55 8.612 -1.839 -2.972 1.00 0.00 H new ATOM 0 HA ASN A 55 9.050 -3.214 -4.749 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.806 -2.962 -3.470 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.559 -3.720 -5.030 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.175 -0.000 -5.587 1.00 0.00 H new ATOM 0 HD22 ASN A 55 13.085 -1.298 -4.807 1.00 0.00 H new ATOM 709 N ASP A 56 8.784 -5.271 -2.703 1.00 0.00 N ATOM 710 CA ASP A 56 8.678 -6.712 -2.306 1.00 0.00 C ATOM 711 C ASP A 56 7.409 -7.315 -2.910 1.00 0.00 C ATOM 712 O ASP A 56 6.308 -7.025 -2.487 1.00 0.00 O ATOM 713 CB ASP A 56 8.620 -6.815 -0.784 1.00 0.00 C ATOM 714 CG ASP A 56 10.006 -6.521 -0.207 1.00 0.00 C ATOM 715 OD1 ASP A 56 10.958 -6.527 -0.971 1.00 0.00 O ATOM 716 OD2 ASP A 56 10.094 -6.293 0.988 1.00 0.00 O ATOM 0 H ASP A 56 8.101 -4.654 -2.263 1.00 0.00 H new ATOM 0 HA ASP A 56 9.547 -7.257 -2.674 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.890 -6.109 -0.387 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.293 -7.812 -0.487 1.00 0.00 H new ATOM 721 N LYS A 57 7.566 -8.158 -3.890 1.00 0.00 N ATOM 722 CA LYS A 57 6.392 -8.797 -4.547 1.00 0.00 C ATOM 723 C LYS A 57 5.584 -9.578 -3.508 1.00 0.00 C ATOM 724 O LYS A 57 4.372 -9.646 -3.569 1.00 0.00 O ATOM 725 CB LYS A 57 6.914 -9.753 -5.622 1.00 0.00 C ATOM 726 CG LYS A 57 7.731 -8.986 -6.674 1.00 0.00 C ATOM 727 CD LYS A 57 6.804 -8.219 -7.624 1.00 0.00 C ATOM 728 CE LYS A 57 7.636 -7.535 -8.708 1.00 0.00 C ATOM 729 NZ LYS A 57 6.723 -6.796 -9.621 1.00 0.00 N ATOM 0 H LYS A 57 8.471 -8.436 -4.270 1.00 0.00 H new ATOM 0 HA LYS A 57 5.747 -8.040 -4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.534 -10.523 -5.162 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.078 -10.261 -6.102 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.409 -8.291 -6.179 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.347 -9.683 -7.242 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.086 -8.902 -8.079 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.230 -7.477 -7.069 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.353 -6.850 -8.256 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.210 -8.275 -9.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.275 -6.369 -10.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.023 -7.454 -10.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.232 -6.048 -9.091 1.00 0.00 H new ATOM 743 N ASN A 58 6.242 -10.164 -2.554 1.00 0.00 N ATOM 744 CA ASN A 58 5.508 -10.929 -1.514 1.00 0.00 C ATOM 745 C ASN A 58 4.589 -9.976 -0.743 1.00 0.00 C ATOM 746 O ASN A 58 3.482 -10.322 -0.381 1.00 0.00 O ATOM 747 CB ASN A 58 6.513 -11.546 -0.542 1.00 0.00 C ATOM 748 CG ASN A 58 7.284 -12.681 -1.222 1.00 0.00 C ATOM 749 OD1 ASN A 58 8.399 -12.980 -0.842 1.00 0.00 O ATOM 750 ND2 ASN A 58 6.740 -13.336 -2.213 1.00 0.00 N ATOM 0 H ASN A 58 7.256 -10.147 -2.448 1.00 0.00 H new ATOM 0 HA ASN A 58 4.917 -11.715 -1.984 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.209 -10.782 -0.194 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.992 -11.927 0.337 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.251 -14.095 -2.664 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.804 -13.089 -2.535 1.00 0.00 H new ATOM 757 N LEU A 59 5.044 -8.780 -0.480 1.00 0.00 N ATOM 758 CA LEU A 59 4.201 -7.813 0.279 1.00 0.00 C ATOM 759 C LEU A 59 3.247 -7.105 -0.680 1.00 0.00 C ATOM 760 O LEU A 59 3.465 -5.965 -1.064 1.00 0.00 O ATOM 761 CB LEU A 59 5.106 -6.789 0.961 1.00 0.00 C ATOM 762 CG LEU A 59 6.132 -7.517 1.839 1.00 0.00 C ATOM 763 CD1 LEU A 59 7.042 -6.489 2.524 1.00 0.00 C ATOM 764 CD2 LEU A 59 5.413 -8.369 2.905 1.00 0.00 C ATOM 0 H LEU A 59 5.962 -8.432 -0.758 1.00 0.00 H new ATOM 0 HA LEU A 59 3.619 -8.343 1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.617 -6.184 0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.510 -6.108 1.568 1.00 0.00 H new ATOM 0 HG LEU A 59 6.734 -8.175 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.771 -7.007 3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.563 -5.903 1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.439 -5.826 3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.152 -8.880 3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.800 -7.723 3.534 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.778 -9.106 2.414 1.00 0.00 H new ATOM 776 N SER A 60 2.192 -7.781 -1.070 1.00 0.00 N ATOM 777 CA SER A 60 1.201 -7.178 -2.011 1.00 0.00 C ATOM 778 C SER A 60 -0.083 -6.836 -1.261 1.00 0.00 C ATOM 779 O SER A 60 -0.331 -7.324 -0.175 1.00 0.00 O ATOM 780 CB SER A 60 0.885 -8.182 -3.120 1.00 0.00 C ATOM 781 OG SER A 60 -0.177 -7.674 -3.918 1.00 0.00 O ATOM 0 H SER A 60 1.976 -8.732 -0.773 1.00 0.00 H new ATOM 0 HA SER A 60 1.619 -6.268 -2.442 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.769 -8.354 -3.735 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.605 -9.143 -2.689 1.00 0.00 H new ATOM 0 HG SER A 60 0.002 -6.737 -4.143 1.00 0.00 H new ATOM 787 N PHE A 61 -0.908 -6.003 -1.835 1.00 0.00 N ATOM 788 CA PHE A 61 -2.181 -5.633 -1.161 1.00 0.00 C ATOM 789 C PHE A 61 -3.212 -5.244 -2.212 1.00 0.00 C ATOM 790 O PHE A 61 -2.874 -4.907 -3.332 1.00 0.00 O ATOM 791 CB PHE A 61 -1.944 -4.453 -0.221 1.00 0.00 C ATOM 792 CG PHE A 61 -1.504 -3.240 -1.008 1.00 0.00 C ATOM 793 CD1 PHE A 61 -2.458 -2.354 -1.522 1.00 0.00 C ATOM 794 CD2 PHE A 61 -0.140 -2.993 -1.208 1.00 0.00 C ATOM 795 CE1 PHE A 61 -2.048 -1.223 -2.238 1.00 0.00 C ATOM 796 CE2 PHE A 61 0.270 -1.861 -1.921 1.00 0.00 C ATOM 797 CZ PHE A 61 -0.684 -0.976 -2.437 1.00 0.00 C ATOM 0 H PHE A 61 -0.754 -5.563 -2.742 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.546 -6.483 -0.585 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.858 -4.227 0.329 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.184 -4.713 0.516 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.510 -2.543 -1.366 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.596 -3.677 -0.812 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.784 -0.541 -2.637 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.322 -1.670 -2.073 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.368 -0.103 -2.989 1.00 0.00 H new ATOM 807 N THR A 62 -4.472 -5.286 -1.852 1.00 0.00 N ATOM 808 CA THR A 62 -5.560 -4.919 -2.808 1.00 0.00 C ATOM 809 C THR A 62 -6.483 -3.903 -2.136 1.00 0.00 C ATOM 810 O THR A 62 -6.876 -4.076 -0.999 1.00 0.00 O ATOM 811 CB THR A 62 -6.360 -6.169 -3.173 1.00 0.00 C ATOM 812 OG1 THR A 62 -5.489 -7.136 -3.741 1.00 0.00 O ATOM 813 CG2 THR A 62 -7.452 -5.807 -4.182 1.00 0.00 C ATOM 0 H THR A 62 -4.795 -5.563 -0.925 1.00 0.00 H new ATOM 0 HA THR A 62 -5.130 -4.490 -3.713 1.00 0.00 H new ATOM 0 HB THR A 62 -6.823 -6.578 -2.275 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.751 -6.682 -4.200 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.020 -6.701 -4.440 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.121 -5.066 -3.744 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.994 -5.396 -5.082 1.00 0.00 H new ATOM 821 N ALA A 63 -6.832 -2.846 -2.828 1.00 0.00 N ATOM 822 CA ALA A 63 -7.734 -1.811 -2.236 1.00 0.00 C ATOM 823 C ALA A 63 -8.866 -1.515 -3.215 1.00 0.00 C ATOM 824 O ALA A 63 -8.669 -1.496 -4.414 1.00 0.00 O ATOM 825 CB ALA A 63 -6.932 -0.536 -1.981 1.00 0.00 C ATOM 0 H ALA A 63 -6.529 -2.655 -3.783 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.151 -2.174 -1.296 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.584 0.224 -1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.117 -0.751 -1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.522 -0.170 -2.922 1.00 0.00 H new ATOM 831 N GLY A 64 -10.054 -1.292 -2.707 1.00 0.00 N ATOM 832 CA GLY A 64 -11.226 -1.002 -3.588 1.00 0.00 C ATOM 833 C GLY A 64 -11.884 0.311 -3.165 1.00 0.00 C ATOM 834 O GLY A 64 -12.276 0.483 -2.025 1.00 0.00 O ATOM 0 H GLY A 64 -10.262 -1.299 -1.709 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.904 -0.939 -4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.948 -1.816 -3.527 1.00 0.00 H new ATOM 838 N LYS A 65 -12.020 1.227 -4.083 1.00 0.00 N ATOM 839 CA LYS A 65 -12.664 2.534 -3.767 1.00 0.00 C ATOM 840 C LYS A 65 -11.976 3.200 -2.572 1.00 0.00 C ATOM 841 O LYS A 65 -12.316 2.962 -1.429 1.00 0.00 O ATOM 842 CB LYS A 65 -14.148 2.313 -3.462 1.00 0.00 C ATOM 843 CG LYS A 65 -14.856 1.850 -4.739 1.00 0.00 C ATOM 844 CD LYS A 65 -16.333 1.551 -4.448 1.00 0.00 C ATOM 845 CE LYS A 65 -17.134 2.856 -4.366 1.00 0.00 C ATOM 846 NZ LYS A 65 -18.591 2.540 -4.374 1.00 0.00 N ATOM 0 H LYS A 65 -11.709 1.125 -5.049 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.565 3.193 -4.630 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -14.264 1.567 -2.676 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -14.598 3.235 -3.095 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.778 2.620 -5.506 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.367 0.958 -5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -16.743 0.913 -5.231 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -16.422 1.002 -3.511 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -16.873 3.400 -3.458 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -16.886 3.502 -5.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -19.138 3.423 -4.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -18.832 2.038 -5.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -18.820 1.939 -3.557 1.00 0.00 H new ATOM 860 N ASP A 66 -11.017 4.044 -2.841 1.00 0.00 N ATOM 861 CA ASP A 66 -10.294 4.752 -1.746 1.00 0.00 C ATOM 862 C ASP A 66 -9.769 3.744 -0.726 1.00 0.00 C ATOM 863 O ASP A 66 -8.773 3.083 -0.948 1.00 0.00 O ATOM 864 CB ASP A 66 -11.246 5.729 -1.042 1.00 0.00 C ATOM 865 CG ASP A 66 -11.486 6.949 -1.931 1.00 0.00 C ATOM 866 OD1 ASP A 66 -10.739 7.127 -2.877 1.00 0.00 O ATOM 867 OD2 ASP A 66 -12.415 7.688 -1.647 1.00 0.00 O ATOM 0 H ASP A 66 -10.700 4.275 -3.783 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.457 5.300 -2.177 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -12.193 5.235 -0.824 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.822 6.041 -0.088 1.00 0.00 H new ATOM 872 N VAL A 67 -10.425 3.634 0.398 1.00 0.00 N ATOM 873 CA VAL A 67 -9.973 2.684 1.455 1.00 0.00 C ATOM 874 C VAL A 67 -11.196 1.962 2.012 1.00 0.00 C ATOM 875 O VAL A 67 -11.160 1.386 3.081 1.00 0.00 O ATOM 876 CB VAL A 67 -9.265 3.475 2.565 1.00 0.00 C ATOM 877 CG1 VAL A 67 -8.357 2.545 3.378 1.00 0.00 C ATOM 878 CG2 VAL A 67 -8.420 4.586 1.931 1.00 0.00 C ATOM 0 H VAL A 67 -11.263 4.167 0.631 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.278 1.951 1.046 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.012 3.910 3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.860 3.116 4.162 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.957 1.754 3.829 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.608 2.102 2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.915 5.151 2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.678 4.144 1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.066 5.254 1.361 1.00 0.00 H new ATOM 888 N LYS A 68 -12.283 1.994 1.294 1.00 0.00 N ATOM 889 CA LYS A 68 -13.512 1.314 1.779 1.00 0.00 C ATOM 890 C LYS A 68 -13.237 -0.178 1.921 1.00 0.00 C ATOM 891 O LYS A 68 -13.603 -0.793 2.903 1.00 0.00 O ATOM 892 CB LYS A 68 -14.644 1.520 0.769 1.00 0.00 C ATOM 893 CG LYS A 68 -15.959 0.906 1.284 1.00 0.00 C ATOM 894 CD LYS A 68 -16.469 1.683 2.507 1.00 0.00 C ATOM 895 CE LYS A 68 -17.954 1.388 2.719 1.00 0.00 C ATOM 896 NZ LYS A 68 -18.728 1.917 1.564 1.00 0.00 N ATOM 0 H LYS A 68 -12.372 2.462 0.392 1.00 0.00 H new ATOM 0 HA LYS A 68 -13.802 1.732 2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.783 2.585 0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.374 1.065 -0.184 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.710 0.924 0.494 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.801 -0.139 1.549 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.901 1.399 3.393 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.318 2.752 2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -18.113 0.314 2.817 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -18.300 1.848 3.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -19.680 2.191 1.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -18.241 2.748 1.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -18.804 1.183 0.832 1.00 0.00 H new ATOM 910 N ILE A 69 -12.594 -0.764 0.941 1.00 0.00 N ATOM 911 CA ILE A 69 -12.283 -2.223 0.994 1.00 0.00 C ATOM 912 C ILE A 69 -10.774 -2.413 0.883 1.00 0.00 C ATOM 913 O ILE A 69 -10.147 -1.926 -0.037 1.00 0.00 O ATOM 914 CB ILE A 69 -12.988 -2.928 -0.166 1.00 0.00 C ATOM 915 CG1 ILE A 69 -14.503 -2.818 0.033 1.00 0.00 C ATOM 916 CG2 ILE A 69 -12.577 -4.401 -0.195 1.00 0.00 C ATOM 917 CD1 ILE A 69 -15.230 -3.321 -1.216 1.00 0.00 C ATOM 0 H ILE A 69 -12.269 -0.288 0.100 1.00 0.00 H new ATOM 0 HA ILE A 69 -12.631 -2.649 1.935 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.706 -2.461 -1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -14.808 -3.402 0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -14.778 -1.782 0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.080 -4.903 -1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -11.498 -4.475 -0.328 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -12.860 -4.876 0.744 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -16.307 -3.240 -1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -14.936 -2.719 -2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -14.966 -4.363 -1.396 1.00 0.00 H new ATOM 929 N PHE A 70 -10.184 -3.116 1.817 1.00 0.00 N ATOM 930 CA PHE A 70 -8.708 -3.339 1.774 1.00 0.00 C ATOM 931 C PHE A 70 -8.408 -4.785 2.156 1.00 0.00 C ATOM 932 O PHE A 70 -8.907 -5.289 3.142 1.00 0.00 O ATOM 933 CB PHE A 70 -8.023 -2.398 2.764 1.00 0.00 C ATOM 934 CG PHE A 70 -6.526 -2.547 2.640 1.00 0.00 C ATOM 935 CD1 PHE A 70 -5.824 -1.783 1.702 1.00 0.00 C ATOM 936 CD2 PHE A 70 -5.840 -3.453 3.460 1.00 0.00 C ATOM 937 CE1 PHE A 70 -4.436 -1.922 1.581 1.00 0.00 C ATOM 938 CE2 PHE A 70 -4.451 -3.592 3.339 1.00 0.00 C ATOM 939 CZ PHE A 70 -3.750 -2.826 2.400 1.00 0.00 C ATOM 0 H PHE A 70 -10.663 -3.546 2.609 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.336 -3.141 0.769 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.315 -1.367 2.565 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.340 -2.628 3.781 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.353 -1.085 1.070 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.381 -4.043 4.184 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.895 -1.332 0.856 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.921 -4.290 3.970 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.679 -2.933 2.308 1.00 0.00 H new ATOM 949 N SER A 71 -7.593 -5.458 1.386 1.00 0.00 N ATOM 950 CA SER A 71 -7.251 -6.876 1.703 1.00 0.00 C ATOM 951 C SER A 71 -5.760 -7.099 1.448 1.00 0.00 C ATOM 952 O SER A 71 -5.191 -6.548 0.525 1.00 0.00 O ATOM 953 CB SER A 71 -8.074 -7.803 0.809 1.00 0.00 C ATOM 954 OG SER A 71 -7.443 -7.913 -0.459 1.00 0.00 O ATOM 0 H SER A 71 -7.148 -5.084 0.548 1.00 0.00 H new ATOM 0 HA SER A 71 -7.476 -7.090 2.748 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.164 -8.787 1.270 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.085 -7.412 0.693 1.00 0.00 H new ATOM 0 HG SER A 71 -7.967 -8.508 -1.035 1.00 0.00 H new ATOM 960 N SER A 72 -5.118 -7.897 2.261 1.00 0.00 N ATOM 961 CA SER A 72 -3.661 -8.148 2.065 1.00 0.00 C ATOM 962 C SER A 72 -3.282 -9.511 2.648 1.00 0.00 C ATOM 963 O SER A 72 -4.063 -10.152 3.320 1.00 0.00 O ATOM 964 CB SER A 72 -2.850 -7.062 2.765 1.00 0.00 C ATOM 965 OG SER A 72 -3.326 -6.906 4.094 1.00 0.00 O ATOM 0 H SER A 72 -5.540 -8.385 3.051 1.00 0.00 H new ATOM 0 HA SER A 72 -3.444 -8.136 0.997 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.793 -7.329 2.774 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.936 -6.121 2.222 1.00 0.00 H new ATOM 0 HG SER A 72 -2.806 -6.210 4.548 1.00 0.00 H new ATOM 971 N SER A 73 -2.085 -9.954 2.380 1.00 0.00 N ATOM 972 CA SER A 73 -1.631 -11.275 2.896 1.00 0.00 C ATOM 973 C SER A 73 -1.259 -11.182 4.382 1.00 0.00 C ATOM 974 O SER A 73 -1.198 -10.114 4.958 1.00 0.00 O ATOM 975 CB SER A 73 -0.403 -11.715 2.104 1.00 0.00 C ATOM 976 OG SER A 73 0.751 -11.082 2.641 1.00 0.00 O ATOM 0 H SER A 73 -1.396 -9.452 1.820 1.00 0.00 H new ATOM 0 HA SER A 73 -2.442 -11.995 2.784 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.294 -12.798 2.152 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.520 -11.453 1.053 1.00 0.00 H new ATOM 0 HG SER A 73 1.480 -11.734 2.709 1.00 0.00 H new ATOM 982 N GLU A 74 -1.007 -12.307 4.997 1.00 0.00 N ATOM 983 CA GLU A 74 -0.629 -12.319 6.438 1.00 0.00 C ATOM 984 C GLU A 74 0.739 -11.650 6.615 1.00 0.00 C ATOM 985 O GLU A 74 0.997 -10.987 7.601 1.00 0.00 O ATOM 986 CB GLU A 74 -0.543 -13.773 6.912 1.00 0.00 C ATOM 987 CG GLU A 74 -1.922 -14.432 6.829 1.00 0.00 C ATOM 988 CD GLU A 74 -2.877 -13.748 7.807 1.00 0.00 C ATOM 989 OE1 GLU A 74 -2.393 -13.093 8.716 1.00 0.00 O ATOM 990 OE2 GLU A 74 -4.077 -13.895 7.635 1.00 0.00 O ATOM 0 H GLU A 74 -1.048 -13.226 4.557 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.375 -11.777 7.020 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.170 -14.323 6.298 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.175 -13.809 7.937 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.311 -14.358 5.813 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.844 -15.494 7.064 1.00 0.00 H new ATOM 997 N GLU A 75 1.622 -11.826 5.671 1.00 0.00 N ATOM 998 CA GLU A 75 2.974 -11.212 5.783 1.00 0.00 C ATOM 999 C GLU A 75 2.830 -9.693 5.918 1.00 0.00 C ATOM 1000 O GLU A 75 3.282 -9.092 6.875 1.00 0.00 O ATOM 1001 CB GLU A 75 3.778 -11.529 4.518 1.00 0.00 C ATOM 1002 CG GLU A 75 4.043 -13.042 4.419 1.00 0.00 C ATOM 1003 CD GLU A 75 2.835 -13.755 3.796 1.00 0.00 C ATOM 1004 OE1 GLU A 75 1.841 -13.096 3.543 1.00 0.00 O ATOM 1005 OE2 GLU A 75 2.939 -14.946 3.553 1.00 0.00 O ATOM 0 H GLU A 75 1.464 -12.371 4.823 1.00 0.00 H new ATOM 0 HA GLU A 75 3.487 -11.613 6.657 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.232 -11.190 3.637 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.724 -10.988 4.535 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.932 -13.224 3.815 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.242 -13.449 5.410 1.00 0.00 H new ATOM 1012 N LEU A 76 2.195 -9.068 4.967 1.00 0.00 N ATOM 1013 CA LEU A 76 2.024 -7.591 5.029 1.00 0.00 C ATOM 1014 C LEU A 76 1.228 -7.227 6.283 1.00 0.00 C ATOM 1015 O LEU A 76 1.495 -6.236 6.933 1.00 0.00 O ATOM 1016 CB LEU A 76 1.274 -7.117 3.780 1.00 0.00 C ATOM 1017 CG LEU A 76 1.066 -5.593 3.824 1.00 0.00 C ATOM 1018 CD1 LEU A 76 2.420 -4.872 3.915 1.00 0.00 C ATOM 1019 CD2 LEU A 76 0.318 -5.143 2.558 1.00 0.00 C ATOM 0 H LEU A 76 1.786 -9.518 4.148 1.00 0.00 H new ATOM 0 HA LEU A 76 2.999 -7.106 5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.836 -7.388 2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.309 -7.620 3.715 1.00 0.00 H new ATOM 0 HG LEU A 76 0.477 -5.339 4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.257 -3.795 3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.939 -5.186 4.820 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.025 -5.123 3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.170 -4.064 2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.904 -5.405 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.650 -5.641 2.511 1.00 0.00 H new ATOM 1031 N ASP A 77 0.247 -8.014 6.619 1.00 0.00 N ATOM 1032 CA ASP A 77 -0.576 -7.716 7.821 1.00 0.00 C ATOM 1033 C ASP A 77 0.339 -7.493 9.032 1.00 0.00 C ATOM 1034 O ASP A 77 0.085 -6.641 9.863 1.00 0.00 O ATOM 1035 CB ASP A 77 -1.493 -8.909 8.091 1.00 0.00 C ATOM 1036 CG ASP A 77 -2.528 -8.547 9.157 1.00 0.00 C ATOM 1037 OD1 ASP A 77 -2.416 -7.475 9.728 1.00 0.00 O ATOM 1038 OD2 ASP A 77 -3.416 -9.352 9.384 1.00 0.00 O ATOM 0 H ASP A 77 -0.022 -8.856 6.110 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.168 -6.817 7.651 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.996 -9.206 7.171 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.903 -9.764 8.422 1.00 0.00 H new ATOM 1043 N LYS A 78 1.395 -8.252 9.141 1.00 0.00 N ATOM 1044 CA LYS A 78 2.318 -8.096 10.304 1.00 0.00 C ATOM 1045 C LYS A 78 2.906 -6.680 10.328 1.00 0.00 C ATOM 1046 O LYS A 78 3.205 -6.143 11.376 1.00 0.00 O ATOM 1047 CB LYS A 78 3.443 -9.125 10.194 1.00 0.00 C ATOM 1048 CG LYS A 78 2.877 -10.531 10.417 1.00 0.00 C ATOM 1049 CD LYS A 78 4.011 -11.557 10.329 1.00 0.00 C ATOM 1050 CE LYS A 78 3.465 -12.955 10.634 1.00 0.00 C ATOM 1051 NZ LYS A 78 2.463 -13.338 9.600 1.00 0.00 N ATOM 0 H LYS A 78 1.660 -8.976 8.473 1.00 0.00 H new ATOM 0 HA LYS A 78 1.763 -8.257 11.228 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.912 -9.062 9.212 1.00 0.00 H new ATOM 0 HB3 LYS A 78 4.217 -8.913 10.931 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.394 -10.590 11.392 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.115 -10.751 9.670 1.00 0.00 H new ATOM 0 HD2 LYS A 78 4.455 -11.538 9.334 1.00 0.00 H new ATOM 0 HD3 LYS A 78 4.801 -11.302 11.035 1.00 0.00 H new ATOM 0 HE2 LYS A 78 4.280 -13.679 10.651 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.006 -12.969 11.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.308 -14.366 9.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.566 -12.847 9.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.815 -13.069 8.659 1.00 0.00 H new ATOM 1065 N MET A 79 3.082 -6.078 9.189 1.00 0.00 N ATOM 1066 CA MET A 79 3.655 -4.701 9.148 1.00 0.00 C ATOM 1067 C MET A 79 2.704 -3.716 9.838 1.00 0.00 C ATOM 1068 O MET A 79 3.130 -2.764 10.460 1.00 0.00 O ATOM 1069 CB MET A 79 3.845 -4.272 7.695 1.00 0.00 C ATOM 1070 CG MET A 79 4.770 -5.256 6.977 1.00 0.00 C ATOM 1071 SD MET A 79 6.420 -5.202 7.725 1.00 0.00 S ATOM 1072 CE MET A 79 6.865 -3.522 7.208 1.00 0.00 C ATOM 0 H MET A 79 2.854 -6.479 8.279 1.00 0.00 H new ATOM 0 HA MET A 79 4.615 -4.702 9.665 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.880 -4.232 7.190 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.267 -3.268 7.656 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.364 -6.265 7.042 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.832 -5.005 5.918 1.00 0.00 H new ATOM 0 HE1 MET A 79 7.948 -3.446 7.110 1.00 0.00 H new ATOM 0 HE2 MET A 79 6.397 -3.301 6.249 1.00 0.00 H new ATOM 0 HE3 MET A 79 6.518 -2.808 7.954 1.00 0.00 H new ATOM 1082 N PHE A 80 1.423 -3.916 9.711 1.00 0.00 N ATOM 1083 CA PHE A 80 0.463 -2.966 10.339 1.00 0.00 C ATOM 1084 C PHE A 80 0.765 -2.840 11.836 1.00 0.00 C ATOM 1085 O PHE A 80 0.950 -3.819 12.533 1.00 0.00 O ATOM 1086 CB PHE A 80 -0.969 -3.481 10.129 1.00 0.00 C ATOM 1087 CG PHE A 80 -1.466 -3.057 8.763 1.00 0.00 C ATOM 1088 CD1 PHE A 80 -1.072 -3.764 7.620 1.00 0.00 C ATOM 1089 CD2 PHE A 80 -2.317 -1.950 8.642 1.00 0.00 C ATOM 1090 CE1 PHE A 80 -1.526 -3.363 6.357 1.00 0.00 C ATOM 1091 CE2 PHE A 80 -2.772 -1.551 7.379 1.00 0.00 C ATOM 1092 CZ PHE A 80 -2.377 -2.257 6.237 1.00 0.00 C ATOM 0 H PHE A 80 1.000 -4.692 9.202 1.00 0.00 H new ATOM 0 HA PHE A 80 0.563 -1.984 9.877 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.992 -4.567 10.214 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.626 -3.087 10.905 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -0.418 -4.619 7.712 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.622 -1.405 9.523 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.220 -3.907 5.476 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.428 -0.698 7.286 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.728 -1.949 5.263 1.00 0.00 H new ATOM 1102 N GLN A 81 0.816 -1.627 12.328 1.00 0.00 N ATOM 1103 CA GLN A 81 1.106 -1.401 13.773 1.00 0.00 C ATOM 1104 C GLN A 81 -0.206 -1.257 14.539 1.00 0.00 C ATOM 1105 O GLN A 81 -0.593 -2.120 15.302 1.00 0.00 O ATOM 1106 CB GLN A 81 1.906 -0.108 13.928 1.00 0.00 C ATOM 1107 CG GLN A 81 2.249 0.108 15.404 1.00 0.00 C ATOM 1108 CD GLN A 81 3.153 1.334 15.550 1.00 0.00 C ATOM 1109 OE1 GLN A 81 3.707 1.816 14.582 1.00 0.00 O ATOM 1110 NE2 GLN A 81 3.328 1.856 16.733 1.00 0.00 N ATOM 0 H GLN A 81 0.667 -0.778 11.783 1.00 0.00 H new ATOM 0 HA GLN A 81 1.674 -2.245 14.164 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.819 -0.160 13.336 1.00 0.00 H new ATOM 0 HB3 GLN A 81 1.329 0.736 13.551 1.00 0.00 H new ATOM 0 HG2 GLN A 81 1.336 0.247 15.983 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.749 -0.774 15.804 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.862 1.449 17.544 1.00 0.00 H new ATOM 0 HE22 GLN A 81 3.931 2.671 16.847 1.00 0.00 H new ATOM 1119 N GLU A 82 -0.890 -0.158 14.353 1.00 0.00 N ATOM 1120 CA GLU A 82 -2.174 0.056 15.083 1.00 0.00 C ATOM 1121 C GLU A 82 -3.341 -0.479 14.231 1.00 0.00 C ATOM 1122 O GLU A 82 -3.227 -0.594 13.025 1.00 0.00 O ATOM 1123 CB GLU A 82 -2.364 1.563 15.352 1.00 0.00 C ATOM 1124 CG GLU A 82 -1.657 2.377 14.267 1.00 0.00 C ATOM 1125 CD GLU A 82 -2.139 3.827 14.323 1.00 0.00 C ATOM 1126 OE1 GLU A 82 -1.572 4.590 15.086 1.00 0.00 O ATOM 1127 OE2 GLU A 82 -3.070 4.147 13.602 1.00 0.00 O ATOM 0 H GLU A 82 -0.615 0.600 13.728 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.152 -0.477 16.034 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.426 1.808 15.369 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.962 1.820 16.332 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.577 2.335 14.412 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.864 1.951 13.285 1.00 0.00 H new ATOM 1134 N PRO A 83 -4.463 -0.788 14.846 1.00 0.00 N ATOM 1135 CA PRO A 83 -5.660 -1.296 14.112 1.00 0.00 C ATOM 1136 C PRO A 83 -5.982 -0.473 12.856 1.00 0.00 C ATOM 1137 O PRO A 83 -5.580 0.667 12.720 1.00 0.00 O ATOM 1138 CB PRO A 83 -6.801 -1.174 15.137 1.00 0.00 C ATOM 1139 CG PRO A 83 -6.141 -1.230 16.480 1.00 0.00 C ATOM 1140 CD PRO A 83 -4.705 -0.712 16.301 1.00 0.00 C ATOM 0 HA PRO A 83 -5.501 -2.312 13.751 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -7.347 -0.240 15.007 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.522 -1.983 15.020 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -6.684 -0.619 17.201 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -6.137 -2.250 16.865 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -4.603 0.309 16.667 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -3.991 -1.322 16.854 1.00 0.00 H new ATOM 1148 N ARG A 84 -6.698 -1.055 11.935 1.00 0.00 N ATOM 1149 CA ARG A 84 -7.041 -0.327 10.686 1.00 0.00 C ATOM 1150 C ARG A 84 -7.993 0.821 11.008 1.00 0.00 C ATOM 1151 O ARG A 84 -8.871 0.696 11.841 1.00 0.00 O ATOM 1152 CB ARG A 84 -7.714 -1.290 9.713 1.00 0.00 C ATOM 1153 CG ARG A 84 -6.687 -2.319 9.240 1.00 0.00 C ATOM 1154 CD ARG A 84 -7.345 -3.290 8.261 1.00 0.00 C ATOM 1155 NE ARG A 84 -6.348 -4.311 7.830 1.00 0.00 N ATOM 1156 CZ ARG A 84 -5.544 -4.070 6.828 1.00 0.00 C ATOM 1157 NH1 ARG A 84 -5.592 -2.921 6.210 1.00 0.00 N ATOM 1158 NH2 ARG A 84 -4.688 -4.979 6.450 1.00 0.00 N ATOM 0 H ARG A 84 -7.061 -2.006 11.995 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.133 0.074 10.236 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.552 -1.790 10.198 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.119 -0.743 8.861 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -5.848 -1.816 8.759 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.285 -2.865 10.094 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.199 -3.776 8.733 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.725 -2.748 7.395 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.293 -5.204 8.320 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.258 -2.209 6.509 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.963 -2.736 5.428 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.647 -5.875 6.936 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.059 -4.794 5.668 1.00 0.00 H new ATOM 1172 N LYS A 85 -7.818 1.943 10.356 1.00 0.00 N ATOM 1173 CA LYS A 85 -8.698 3.123 10.616 1.00 0.00 C ATOM 1174 C LYS A 85 -9.212 3.689 9.295 1.00 0.00 C ATOM 1175 O LYS A 85 -8.530 3.671 8.289 1.00 0.00 O ATOM 1176 CB LYS A 85 -7.890 4.188 11.346 1.00 0.00 C ATOM 1177 CG LYS A 85 -7.553 3.684 12.752 1.00 0.00 C ATOM 1178 CD LYS A 85 -6.640 4.692 13.461 1.00 0.00 C ATOM 1179 CE LYS A 85 -7.456 5.897 13.941 1.00 0.00 C ATOM 1180 NZ LYS A 85 -6.615 6.732 14.845 1.00 0.00 N ATOM 0 H LYS A 85 -7.098 2.093 9.649 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.549 2.818 11.225 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.975 4.409 10.796 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.458 5.116 11.405 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.468 3.542 13.326 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.061 2.713 12.692 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.149 4.215 14.309 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.854 5.023 12.782 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.790 6.487 13.088 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.350 5.560 14.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.166 7.551 15.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.317 6.165 15.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.775 7.064 14.329 1.00 0.00 H new ATOM 1194 N GLY A 86 -10.414 4.189 9.296 1.00 0.00 N ATOM 1195 CA GLY A 86 -10.994 4.755 8.049 1.00 0.00 C ATOM 1196 C GLY A 86 -10.118 5.899 7.536 1.00 0.00 C ATOM 1197 O GLY A 86 -9.395 6.524 8.284 1.00 0.00 O ATOM 0 H GLY A 86 -11.024 4.230 10.113 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -11.072 3.977 7.289 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -12.004 5.117 8.240 1.00 0.00 H new ATOM 1201 N TYR A 87 -10.190 6.172 6.261 1.00 0.00 N ATOM 1202 CA TYR A 87 -9.379 7.274 5.668 1.00 0.00 C ATOM 1203 C TYR A 87 -9.762 8.604 6.333 1.00 0.00 C ATOM 1204 O TYR A 87 -8.918 9.399 6.715 1.00 0.00 O ATOM 1205 CB TYR A 87 -9.685 7.339 4.172 1.00 0.00 C ATOM 1206 CG TYR A 87 -8.951 8.499 3.553 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -7.568 8.421 3.366 1.00 0.00 C ATOM 1208 CD2 TYR A 87 -9.648 9.648 3.161 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -6.877 9.492 2.792 1.00 0.00 C ATOM 1210 CE2 TYR A 87 -8.958 10.721 2.585 1.00 0.00 C ATOM 1211 CZ TYR A 87 -7.573 10.642 2.401 1.00 0.00 C ATOM 1212 OH TYR A 87 -6.891 11.700 1.836 1.00 0.00 O ATOM 0 H TYR A 87 -10.783 5.673 5.598 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.316 7.092 5.826 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.387 6.408 3.689 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -10.758 7.450 4.015 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -7.033 7.532 3.665 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -10.717 9.706 3.303 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.808 9.432 2.650 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -9.494 11.609 2.283 1.00 0.00 H new ATOM 0 HH TYR A 87 -7.522 12.418 1.621 1.00 0.00 H new ATOM 1222 N ASP A 88 -11.034 8.852 6.472 1.00 0.00 N ATOM 1223 CA ASP A 88 -11.483 10.120 7.107 1.00 0.00 C ATOM 1224 C ASP A 88 -11.125 10.106 8.598 1.00 0.00 C ATOM 1225 O ASP A 88 -10.847 11.131 9.190 1.00 0.00 O ATOM 1226 CB ASP A 88 -12.998 10.260 6.932 1.00 0.00 C ATOM 1227 CG ASP A 88 -13.697 9.040 7.534 1.00 0.00 C ATOM 1228 OD1 ASP A 88 -13.003 8.124 7.940 1.00 0.00 O ATOM 1229 OD2 ASP A 88 -14.916 9.041 7.575 1.00 0.00 O ATOM 0 H ASP A 88 -11.784 8.229 6.172 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.984 10.966 6.633 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.348 11.170 7.419 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.246 10.349 5.874 1.00 0.00 H new ATOM 1234 N GLU A 89 -11.149 8.953 9.211 1.00 0.00 N ATOM 1235 CA GLU A 89 -10.831 8.860 10.666 1.00 0.00 C ATOM 1236 C GLU A 89 -9.362 9.214 10.918 1.00 0.00 C ATOM 1237 O GLU A 89 -9.040 9.918 11.854 1.00 0.00 O ATOM 1238 CB GLU A 89 -11.095 7.432 11.143 1.00 0.00 C ATOM 1239 CG GLU A 89 -10.866 7.346 12.654 1.00 0.00 C ATOM 1240 CD GLU A 89 -11.188 5.933 13.141 1.00 0.00 C ATOM 1241 OE1 GLU A 89 -11.331 5.056 12.305 1.00 0.00 O ATOM 1242 OE2 GLU A 89 -11.282 5.750 14.345 1.00 0.00 O ATOM 0 H GLU A 89 -11.377 8.065 8.763 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.460 9.563 11.213 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.117 7.140 10.903 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.435 6.737 10.625 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.832 7.596 12.890 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.495 8.072 13.169 1.00 0.00 H new ATOM 1249 N ILE A 90 -8.467 8.728 10.103 1.00 0.00 N ATOM 1250 CA ILE A 90 -7.026 9.041 10.315 1.00 0.00 C ATOM 1251 C ILE A 90 -6.790 10.533 10.074 1.00 0.00 C ATOM 1252 O ILE A 90 -6.010 11.165 10.762 1.00 0.00 O ATOM 1253 CB ILE A 90 -6.160 8.194 9.376 1.00 0.00 C ATOM 1254 CG1 ILE A 90 -6.627 8.368 7.935 1.00 0.00 C ATOM 1255 CG2 ILE A 90 -6.288 6.720 9.764 1.00 0.00 C ATOM 1256 CD1 ILE A 90 -5.622 7.724 6.980 1.00 0.00 C ATOM 0 H ILE A 90 -8.670 8.130 9.302 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.747 8.802 11.341 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.122 8.517 9.462 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.609 7.913 7.804 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.734 9.428 7.704 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -5.673 6.114 9.098 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.952 6.584 10.792 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.330 6.410 9.678 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.963 7.852 5.953 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.649 8.199 7.102 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.537 6.661 7.204 1.00 0.00 H new ATOM 1268 N LEU A 91 -7.453 11.108 9.108 1.00 0.00 N ATOM 1269 CA LEU A 91 -7.258 12.559 8.841 1.00 0.00 C ATOM 1270 C LEU A 91 -7.702 13.359 10.067 1.00 0.00 C ATOM 1271 O LEU A 91 -7.055 14.305 10.475 1.00 0.00 O ATOM 1272 CB LEU A 91 -8.109 12.967 7.642 1.00 0.00 C ATOM 1273 CG LEU A 91 -7.543 12.354 6.351 1.00 0.00 C ATOM 1274 CD1 LEU A 91 -8.525 12.616 5.201 1.00 0.00 C ATOM 1275 CD2 LEU A 91 -6.165 12.967 6.017 1.00 0.00 C ATOM 0 H LEU A 91 -8.118 10.637 8.495 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.207 12.757 8.632 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.137 12.637 7.789 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.132 14.053 7.557 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.414 11.281 6.491 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.131 12.184 4.281 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.487 12.160 5.433 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.655 13.690 5.071 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.781 12.520 5.100 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.269 14.043 5.880 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.471 12.770 6.835 1.00 0.00 H new ATOM 1287 N GLU A 92 -8.799 12.981 10.658 1.00 0.00 N ATOM 1288 CA GLU A 92 -9.289 13.708 11.858 1.00 0.00 C ATOM 1289 C GLU A 92 -8.312 13.499 13.008 1.00 0.00 C ATOM 1290 O GLU A 92 -8.021 14.410 13.755 1.00 0.00 O ATOM 1291 CB GLU A 92 -10.659 13.158 12.250 1.00 0.00 C ATOM 1292 CG GLU A 92 -11.693 13.561 11.198 1.00 0.00 C ATOM 1293 CD GLU A 92 -13.042 12.925 11.539 1.00 0.00 C ATOM 1294 OE1 GLU A 92 -13.115 12.239 12.545 1.00 0.00 O ATOM 1295 OE2 GLU A 92 -13.979 13.136 10.787 1.00 0.00 O ATOM 0 H GLU A 92 -9.379 12.197 10.360 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.369 14.773 11.638 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -10.616 12.072 12.335 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.951 13.543 13.227 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.789 14.646 11.164 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.366 13.239 10.209 1.00 0.00 H new ATOM 1302 N HIS A 93 -7.804 12.304 13.148 1.00 0.00 N ATOM 1303 CA HIS A 93 -6.835 12.005 14.246 1.00 0.00 C ATOM 1304 C HIS A 93 -7.466 12.300 15.613 1.00 0.00 C ATOM 1305 O HIS A 93 -7.763 11.405 16.378 1.00 0.00 O ATOM 1306 CB HIS A 93 -5.578 12.866 14.083 1.00 0.00 C ATOM 1307 CG HIS A 93 -4.539 12.413 15.070 1.00 0.00 C ATOM 1308 ND1 HIS A 93 -3.777 11.275 14.869 1.00 0.00 N ATOM 1309 CD2 HIS A 93 -4.131 12.931 16.275 1.00 0.00 C ATOM 1310 CE1 HIS A 93 -2.956 11.145 15.928 1.00 0.00 C ATOM 1311 NE2 HIS A 93 -3.131 12.129 16.815 1.00 0.00 N ATOM 0 H HIS A 93 -8.021 11.512 12.542 1.00 0.00 H new ATOM 0 HA HIS A 93 -6.570 10.949 14.191 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -5.193 12.781 13.067 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -5.818 13.917 14.246 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -4.527 13.825 16.734 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -2.243 10.343 16.046 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -2.638 12.263 17.698 1.00 0.00 H new ATOM 1319 N HIS A 94 -7.648 13.550 15.935 1.00 0.00 N ATOM 1320 CA HIS A 94 -8.229 13.909 17.259 1.00 0.00 C ATOM 1321 C HIS A 94 -9.634 13.325 17.405 1.00 0.00 C ATOM 1322 O HIS A 94 -10.337 13.103 16.438 1.00 0.00 O ATOM 1323 CB HIS A 94 -8.295 15.428 17.376 1.00 0.00 C ATOM 1324 CG HIS A 94 -8.791 15.808 18.746 1.00 0.00 C ATOM 1325 ND1 HIS A 94 -10.140 15.959 19.030 1.00 0.00 N ATOM 1326 CD2 HIS A 94 -8.129 16.077 19.918 1.00 0.00 C ATOM 1327 CE1 HIS A 94 -10.244 16.306 20.327 1.00 0.00 C ATOM 1328 NE2 HIS A 94 -9.048 16.392 20.914 1.00 0.00 N ATOM 0 H HIS A 94 -7.418 14.342 15.335 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.599 13.498 18.048 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -7.309 15.859 17.203 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -8.959 15.833 16.612 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -7.057 16.048 20.047 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -11.181 16.492 20.831 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -8.850 16.636 21.884 1.00 0.00 H new ATOM 1336 N HIS A 95 -10.051 13.077 18.621 1.00 0.00 N ATOM 1337 CA HIS A 95 -11.409 12.508 18.850 1.00 0.00 C ATOM 1338 C HIS A 95 -11.949 12.995 20.195 1.00 0.00 C ATOM 1339 O HIS A 95 -11.225 13.522 21.016 1.00 0.00 O ATOM 1340 CB HIS A 95 -11.325 10.982 18.858 1.00 0.00 C ATOM 1341 CG HIS A 95 -10.349 10.530 19.912 1.00 0.00 C ATOM 1342 ND1 HIS A 95 -10.697 9.615 20.894 1.00 0.00 N ATOM 1343 CD2 HIS A 95 -9.034 10.848 20.147 1.00 0.00 C ATOM 1344 CE1 HIS A 95 -9.613 9.415 21.665 1.00 0.00 C ATOM 1345 NE2 HIS A 95 -8.571 10.142 21.253 1.00 0.00 N ATOM 0 H HIS A 95 -9.506 13.246 19.466 1.00 0.00 H new ATOM 0 HA HIS A 95 -12.077 12.833 18.053 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -12.309 10.556 19.054 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -11.010 10.621 17.879 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -11.609 9.174 21.011 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -8.448 11.541 19.562 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -9.588 8.748 22.514 1.00 0.00 H new ATOM 1353 N HIS A 96 -13.221 12.824 20.423 1.00 0.00 N ATOM 1354 CA HIS A 96 -13.820 13.274 21.707 1.00 0.00 C ATOM 1355 C HIS A 96 -13.636 12.179 22.760 1.00 0.00 C ATOM 1356 O HIS A 96 -14.547 11.432 23.054 1.00 0.00 O ATOM 1357 CB HIS A 96 -15.307 13.538 21.487 1.00 0.00 C ATOM 1358 CG HIS A 96 -15.888 14.189 22.709 1.00 0.00 C ATOM 1359 ND1 HIS A 96 -16.449 13.455 23.740 1.00 0.00 N ATOM 1360 CD2 HIS A 96 -16.000 15.505 23.080 1.00 0.00 C ATOM 1361 CE1 HIS A 96 -16.869 14.326 24.675 1.00 0.00 C ATOM 1362 NE2 HIS A 96 -16.621 15.591 24.322 1.00 0.00 N ATOM 0 H HIS A 96 -13.874 12.389 19.771 1.00 0.00 H new ATOM 0 HA HIS A 96 -13.333 14.186 22.052 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -15.448 14.181 20.618 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -15.826 12.602 21.279 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -16.529 12.439 23.783 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -15.658 16.347 22.496 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -17.348 14.038 25.599 1.00 0.00 H new ATOM 1370 N HIS A 97 -12.461 12.085 23.329 1.00 0.00 N ATOM 1371 CA HIS A 97 -12.197 11.044 24.367 1.00 0.00 C ATOM 1372 C HIS A 97 -12.799 9.702 23.941 1.00 0.00 C ATOM 1373 O HIS A 97 -12.158 8.898 23.293 1.00 0.00 O ATOM 1374 CB HIS A 97 -12.822 11.479 25.694 1.00 0.00 C ATOM 1375 CG HIS A 97 -12.616 10.399 26.721 1.00 0.00 C ATOM 1376 ND1 HIS A 97 -11.394 10.187 27.339 1.00 0.00 N ATOM 1377 CD2 HIS A 97 -13.469 9.459 27.247 1.00 0.00 C ATOM 1378 CE1 HIS A 97 -11.543 9.158 28.194 1.00 0.00 C ATOM 1379 NE2 HIS A 97 -12.789 8.677 28.177 1.00 0.00 N ATOM 0 H HIS A 97 -11.668 12.690 23.117 1.00 0.00 H new ATOM 0 HA HIS A 97 -11.119 10.928 24.484 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -12.369 12.410 26.034 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -13.887 11.672 25.561 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -14.509 9.344 26.980 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -10.752 8.769 28.818 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -13.162 7.903 28.727 1.00 0.00 H new ATOM 1387 N HIS A 98 -14.024 9.454 24.306 1.00 0.00 N ATOM 1388 CA HIS A 98 -14.664 8.169 23.932 1.00 0.00 C ATOM 1389 C HIS A 98 -16.153 8.240 24.262 1.00 0.00 C ATOM 1390 O HIS A 98 -16.889 8.793 23.463 1.00 0.00 O ATOM 1391 CB HIS A 98 -14.016 7.032 24.725 1.00 0.00 C ATOM 1392 CG HIS A 98 -14.686 5.735 24.380 1.00 0.00 C ATOM 1393 ND1 HIS A 98 -14.592 5.168 23.120 1.00 0.00 N ATOM 1394 CD2 HIS A 98 -15.466 4.882 25.119 1.00 0.00 C ATOM 1395 CE1 HIS A 98 -15.298 4.023 23.138 1.00 0.00 C ATOM 1396 NE2 HIS A 98 -15.851 3.801 24.333 1.00 0.00 N ATOM 1397 OXT HIS A 98 -16.528 7.748 25.313 1.00 0.00 O ATOM 0 H HIS A 98 -14.610 10.089 24.849 1.00 0.00 H new ATOM 0 HA HIS A 98 -14.534 7.986 22.865 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -12.952 6.976 24.496 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -14.103 7.225 25.794 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -15.739 5.028 26.154 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -15.405 3.364 22.289 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -16.431 3.009 24.610 1.00 0.00 H new TER 1405 HIS A 98