USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 591 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 132 MET CE :methyl -157:sc= -0.811 (180deg=-2.04!) USER MOD Set 1.2: A 136 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 54 SER OG : rot 14:sc= 0.423 USER MOD Set 2.2: A 64 SER OG : rot 29:sc= 2.29 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -1.46 K(o=-1.5,f=-3!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.66 USER MOD Single : A 37 ASN : amide:sc= -6.37! C(o=-6.4!,f=-5.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0528 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.788 USER MOD Single : A 51 SER OG : rot 180:sc=-0.00189 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -111:sc= 0.0296 USER MOD Single : A 73 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-2.1!) USER MOD Single : A 86 HIS : no HD1:sc= -1.97 K(o=-2,f=-2.8) USER MOD Single : A 88 TYR OH : rot -46:sc= 0.236 USER MOD Single : A 90 MET CE :methyl -117:sc= -0.0451 (180deg=-0.522) USER MOD Single : A 92 ASN : amide:sc= 0.484 K(o=0.48,f=-5.9!) 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 134 THR OG1 : rot 80:sc= 0.54 USER MOD Single : A 137 CYS SG : rot 180:sc= 0 USER MOD Single : A 139 CYS SG : rot 96:sc= -0.24 USER MOD Single : A 140 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 28 10.834 5.985 6.121 1.00 0.00 N ATOM 19 CA GLN A 28 11.196 4.537 6.240 1.00 0.00 C ATOM 20 C GLN A 28 10.752 3.985 7.601 1.00 0.00 C ATOM 21 O GLN A 28 10.511 4.733 8.533 1.00 0.00 O ATOM 22 CB GLN A 28 12.725 4.489 6.098 1.00 0.00 C ATOM 23 CG GLN A 28 13.389 5.337 7.190 1.00 0.00 C ATOM 24 CD GLN A 28 14.908 5.277 7.030 1.00 0.00 C ATOM 25 OE1 GLN A 28 15.476 6.001 6.238 1.00 0.00 O ATOM 26 NE2 GLN A 28 15.595 4.435 7.755 1.00 0.00 N ATOM 0 HA GLN A 28 10.704 3.927 5.482 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.071 3.458 6.168 1.00 0.00 H new ATOM 0 HB3 GLN A 28 13.017 4.857 5.114 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.046 6.369 7.122 1.00 0.00 H new ATOM 0 HG3 GLN A 28 13.102 4.970 8.175 1.00 0.00 H new ATOM 0 HE21 GLN A 28 15.117 3.827 8.420 1.00 0.00 H new ATOM 0 HE22 GLN A 28 16.609 4.386 7.656 1.00 0.00 H new ATOM 35 N GLN A 29 10.648 2.682 7.717 1.00 0.00 N ATOM 36 CA GLN A 29 10.224 2.059 9.011 1.00 0.00 C ATOM 37 C GLN A 29 11.250 0.988 9.437 1.00 0.00 C ATOM 38 O GLN A 29 11.778 0.294 8.593 1.00 0.00 O ATOM 39 CB GLN A 29 8.850 1.420 8.723 1.00 0.00 C ATOM 40 CG GLN A 29 7.770 2.080 9.587 1.00 0.00 C ATOM 41 CD GLN A 29 7.479 3.484 9.056 1.00 0.00 C ATOM 42 OE1 GLN A 29 7.742 4.464 9.723 1.00 0.00 O ATOM 43 NE2 GLN A 29 6.940 3.624 7.876 1.00 0.00 N ATOM 0 H GLN A 29 10.840 2.020 6.966 1.00 0.00 H new ATOM 0 HA GLN A 29 10.164 2.784 9.823 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.602 1.533 7.668 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.888 0.350 8.929 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.861 1.479 9.573 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.101 2.133 10.624 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.719 2.801 7.315 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.740 4.556 7.514 1.00 0.00 H new ATOM 52 N PRO A 30 11.510 0.876 10.734 1.00 0.00 N ATOM 53 CA PRO A 30 12.485 -0.131 11.209 1.00 0.00 C ATOM 54 C PRO A 30 11.837 -1.525 11.296 1.00 0.00 C ATOM 55 O PRO A 30 11.972 -2.324 10.386 1.00 0.00 O ATOM 56 CB PRO A 30 12.907 0.393 12.581 1.00 0.00 C ATOM 57 CG PRO A 30 11.772 1.254 13.058 1.00 0.00 C ATOM 58 CD PRO A 30 10.946 1.653 11.857 1.00 0.00 C ATOM 0 HA PRO A 30 13.335 -0.256 10.539 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.092 -0.428 13.273 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.831 0.967 12.513 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.159 0.711 13.778 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.154 2.139 13.568 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.892 1.421 12.008 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.013 2.725 11.669 1.00 0.00 H new ATOM 66 N GLU A 31 11.136 -1.825 12.373 1.00 0.00 N ATOM 67 CA GLU A 31 10.485 -3.167 12.512 1.00 0.00 C ATOM 68 C GLU A 31 8.959 -3.021 12.503 1.00 0.00 C ATOM 69 O GLU A 31 8.376 -2.493 13.434 1.00 0.00 O ATOM 70 CB GLU A 31 10.965 -3.705 13.859 1.00 0.00 C ATOM 71 CG GLU A 31 12.482 -3.905 13.817 1.00 0.00 C ATOM 72 CD GLU A 31 12.958 -4.549 15.123 1.00 0.00 C ATOM 73 OE1 GLU A 31 12.351 -4.287 16.150 1.00 0.00 O ATOM 74 OE2 GLU A 31 13.923 -5.293 15.075 1.00 0.00 O ATOM 0 H GLU A 31 10.989 -1.193 13.160 1.00 0.00 H new ATOM 0 HA GLU A 31 10.743 -3.836 11.692 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.701 -3.009 14.656 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.469 -4.649 14.083 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.751 -4.537 12.970 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.980 -2.947 13.671 1.00 0.00 H new ATOM 81 N THR A 32 8.317 -3.487 11.460 1.00 0.00 N ATOM 82 CA THR A 32 6.825 -3.386 11.372 1.00 0.00 C ATOM 83 C THR A 32 6.231 -4.670 10.796 1.00 0.00 C ATOM 84 O THR A 32 6.899 -5.385 10.064 1.00 0.00 O ATOM 85 CB THR A 32 6.552 -2.208 10.421 1.00 0.00 C ATOM 86 OG1 THR A 32 5.151 -2.081 10.224 1.00 0.00 O ATOM 87 CG2 THR A 32 7.226 -2.445 9.061 1.00 0.00 C ATOM 0 H THR A 32 8.764 -3.936 10.661 1.00 0.00 H new ATOM 0 HA THR A 32 6.375 -3.237 12.353 1.00 0.00 H new ATOM 0 HB THR A 32 6.957 -1.299 10.865 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.972 -1.330 9.620 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.022 -1.601 8.402 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.302 -2.544 9.201 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.833 -3.358 8.614 1.00 0.00 H new ATOM 95 N GLU A 33 4.976 -4.962 11.100 1.00 0.00 N ATOM 96 CA GLU A 33 4.349 -6.196 10.535 1.00 0.00 C ATOM 97 C GLU A 33 3.152 -5.831 9.647 1.00 0.00 C ATOM 98 O GLU A 33 2.439 -4.864 9.879 1.00 0.00 O ATOM 99 CB GLU A 33 3.913 -7.027 11.750 1.00 0.00 C ATOM 100 CG GLU A 33 2.930 -6.232 12.610 1.00 0.00 C ATOM 101 CD GLU A 33 2.099 -7.195 13.460 1.00 0.00 C ATOM 102 OE1 GLU A 33 2.561 -7.563 14.526 1.00 0.00 O ATOM 103 OE2 GLU A 33 1.014 -7.549 13.028 1.00 0.00 O ATOM 0 H GLU A 33 4.375 -4.403 11.706 1.00 0.00 H new ATOM 0 HA GLU A 33 5.039 -6.755 9.903 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.448 -7.955 11.417 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.785 -7.303 12.343 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.472 -5.538 13.253 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.276 -5.634 11.975 1.00 0.00 H new ATOM 110 N ALA A 34 2.955 -6.604 8.619 1.00 0.00 N ATOM 111 CA ALA A 34 1.848 -6.360 7.656 1.00 0.00 C ATOM 112 C ALA A 34 0.750 -7.439 7.677 1.00 0.00 C ATOM 113 O ALA A 34 1.021 -8.641 7.496 1.00 0.00 O ATOM 114 CB ALA A 34 2.537 -6.359 6.295 1.00 0.00 C ATOM 0 H ALA A 34 3.531 -7.417 8.400 1.00 0.00 H new ATOM 0 HA ALA A 34 1.330 -5.433 7.904 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.798 -6.185 5.513 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.287 -5.569 6.267 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.019 -7.323 6.131 1.00 0.00 H new ATOM 120 N VAL A 35 -0.489 -6.993 7.805 1.00 0.00 N ATOM 121 CA VAL A 35 -1.665 -7.929 7.731 1.00 0.00 C ATOM 122 C VAL A 35 -2.440 -7.585 6.427 1.00 0.00 C ATOM 123 O VAL A 35 -2.695 -6.427 6.154 1.00 0.00 O ATOM 124 CB VAL A 35 -2.500 -7.670 9.003 1.00 0.00 C ATOM 125 CG1 VAL A 35 -3.849 -8.411 8.930 1.00 0.00 C ATOM 126 CG2 VAL A 35 -1.709 -8.140 10.233 1.00 0.00 C ATOM 0 H VAL A 35 -0.733 -6.015 7.958 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.396 -8.985 7.695 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.702 -6.602 9.082 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.421 -8.215 9.837 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.410 -8.061 8.064 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.671 -9.482 8.838 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.295 -7.959 11.134 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.499 -9.206 10.145 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.770 -7.589 10.294 1.00 0.00 H new ATOM 136 N LEU A 36 -2.741 -8.564 5.587 1.00 0.00 N ATOM 137 CA LEU A 36 -3.414 -8.274 4.270 1.00 0.00 C ATOM 138 C LEU A 36 -4.704 -9.091 4.009 1.00 0.00 C ATOM 139 O LEU A 36 -4.715 -10.306 4.031 1.00 0.00 O ATOM 140 CB LEU A 36 -2.355 -8.612 3.211 1.00 0.00 C ATOM 141 CG LEU A 36 -2.318 -7.519 2.133 1.00 0.00 C ATOM 142 CD1 LEU A 36 -0.876 -7.310 1.662 1.00 0.00 C ATOM 143 CD2 LEU A 36 -3.187 -7.938 0.943 1.00 0.00 C ATOM 0 H LEU A 36 -2.548 -9.550 5.760 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.749 -7.237 4.253 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.376 -8.703 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.581 -9.576 2.755 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.702 -6.589 2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.852 -6.534 0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.258 -7.006 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.490 -8.241 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.159 -7.160 0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.807 -8.870 0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.215 -8.082 1.276 1.00 0.00 H new ATOM 155 N ASN A 37 -5.780 -8.384 3.702 1.00 0.00 N ATOM 156 CA ASN A 37 -7.147 -8.962 3.342 1.00 0.00 C ATOM 157 C ASN A 37 -7.908 -9.605 4.515 1.00 0.00 C ATOM 158 O ASN A 37 -8.910 -10.248 4.283 1.00 0.00 O ATOM 159 CB ASN A 37 -6.886 -10.030 2.252 1.00 0.00 C ATOM 160 CG ASN A 37 -8.114 -10.185 1.351 1.00 0.00 C ATOM 161 OD1 ASN A 37 -9.232 -10.229 1.822 1.00 0.00 O ATOM 162 ND2 ASN A 37 -7.948 -10.274 0.061 1.00 0.00 N ATOM 0 H ASN A 37 -5.769 -7.364 3.684 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.786 -8.143 3.012 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.022 -9.744 1.653 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.647 -10.985 2.720 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.757 -10.380 -0.551 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.009 -10.237 -0.336 1.00 0.00 H new ATOM 169 N GLY A 38 -7.520 -9.374 5.752 1.00 0.00 N ATOM 170 CA GLY A 38 -8.292 -9.948 6.911 1.00 0.00 C ATOM 171 C GLY A 38 -7.398 -10.900 7.711 1.00 0.00 C ATOM 172 O GLY A 38 -7.415 -10.899 8.929 1.00 0.00 O ATOM 0 H GLY A 38 -6.706 -8.816 6.010 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.650 -9.144 7.554 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.171 -10.480 6.546 1.00 0.00 H new ATOM 176 N LYS A 39 -6.605 -11.692 7.031 1.00 0.00 N ATOM 177 CA LYS A 39 -5.679 -12.634 7.734 1.00 0.00 C ATOM 178 C LYS A 39 -4.314 -11.970 7.771 1.00 0.00 C ATOM 179 O LYS A 39 -3.945 -11.294 6.819 1.00 0.00 O ATOM 180 CB LYS A 39 -5.654 -13.900 6.876 1.00 0.00 C ATOM 181 CG LYS A 39 -4.851 -14.987 7.592 1.00 0.00 C ATOM 182 CD LYS A 39 -4.756 -16.224 6.698 1.00 0.00 C ATOM 183 CE LYS A 39 -4.019 -17.339 7.444 1.00 0.00 C ATOM 184 NZ LYS A 39 -2.604 -17.231 6.995 1.00 0.00 N ATOM 0 H LYS A 39 -6.559 -11.726 6.013 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.979 -12.876 8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.671 -14.247 6.691 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.209 -13.685 5.905 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.853 -14.619 7.830 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.329 -15.244 8.537 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.754 -16.559 6.416 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.229 -15.979 5.776 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.101 -17.213 8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.436 -18.317 7.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.034 -17.964 7.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.556 -17.361 5.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.232 -16.292 7.243 1.00 0.00 H new ATOM 198 N GLY A 40 -3.579 -12.094 8.863 1.00 0.00 N ATOM 199 CA GLY A 40 -2.267 -11.390 8.937 1.00 0.00 C ATOM 200 C GLY A 40 -1.201 -12.094 8.108 1.00 0.00 C ATOM 201 O GLY A 40 -0.626 -13.090 8.507 1.00 0.00 O ATOM 0 H GLY A 40 -3.833 -12.643 9.685 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.384 -10.365 8.585 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.942 -11.335 9.976 1.00 0.00 H new ATOM 205 N LEU A 41 -0.873 -11.501 6.990 1.00 0.00 N ATOM 206 CA LEU A 41 0.220 -12.006 6.138 1.00 0.00 C ATOM 207 C LEU A 41 1.175 -10.831 5.876 1.00 0.00 C ATOM 208 O LEU A 41 0.823 -9.887 5.188 1.00 0.00 O ATOM 209 CB LEU A 41 -0.482 -12.497 4.846 1.00 0.00 C ATOM 210 CG LEU A 41 0.515 -12.699 3.680 1.00 0.00 C ATOM 211 CD1 LEU A 41 1.623 -13.676 4.085 1.00 0.00 C ATOM 212 CD2 LEU A 41 -0.230 -13.251 2.462 1.00 0.00 C ATOM 0 H LEU A 41 -1.336 -10.666 6.631 1.00 0.00 H new ATOM 0 HA LEU A 41 0.806 -12.815 6.574 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.997 -13.436 5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.242 -11.774 4.551 1.00 0.00 H new ATOM 0 HG LEU A 41 0.966 -11.738 3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.315 -13.806 3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.161 -13.279 4.946 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.182 -14.639 4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.472 -13.394 1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.688 -14.206 2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.005 -12.547 2.159 1.00 0.00 H new ATOM 224 N GLY A 42 2.367 -10.900 6.383 1.00 0.00 N ATOM 225 CA GLY A 42 3.366 -9.832 6.155 1.00 0.00 C ATOM 226 C GLY A 42 4.118 -9.536 7.444 1.00 0.00 C ATOM 227 O GLY A 42 3.538 -9.099 8.418 1.00 0.00 O ATOM 0 H GLY A 42 2.698 -11.673 6.961 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.067 -10.138 5.378 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.870 -8.929 5.799 1.00 0.00 H new ATOM 231 N THR A 43 5.408 -9.745 7.448 1.00 0.00 N ATOM 232 CA THR A 43 6.233 -9.428 8.645 1.00 0.00 C ATOM 233 C THR A 43 7.570 -8.922 8.128 1.00 0.00 C ATOM 234 O THR A 43 8.305 -9.693 7.542 1.00 0.00 O ATOM 235 CB THR A 43 6.396 -10.751 9.394 1.00 0.00 C ATOM 236 OG1 THR A 43 5.115 -11.306 9.657 1.00 0.00 O ATOM 237 CG2 THR A 43 7.128 -10.506 10.716 1.00 0.00 C ATOM 0 H THR A 43 5.930 -10.128 6.660 1.00 0.00 H new ATOM 0 HA THR A 43 5.798 -8.677 9.305 1.00 0.00 H new ATOM 0 HB THR A 43 6.975 -11.444 8.784 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.218 -12.155 10.136 1.00 0.00 H new ATOM 0 HG21 THR A 43 7.243 -11.450 11.248 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.111 -10.081 10.514 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.551 -9.812 11.328 1.00 0.00 H new ATOM 245 N GLY A 44 7.889 -7.653 8.306 1.00 0.00 N ATOM 246 CA GLY A 44 9.190 -7.150 7.763 1.00 0.00 C ATOM 247 C GLY A 44 9.342 -5.646 7.905 1.00 0.00 C ATOM 248 O GLY A 44 9.108 -5.068 8.951 1.00 0.00 O ATOM 0 H GLY A 44 7.316 -6.963 8.792 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.011 -7.645 8.282 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.269 -7.421 6.710 1.00 0.00 H new ATOM 252 N THR A 45 9.788 -5.033 6.847 1.00 0.00 N ATOM 253 CA THR A 45 10.040 -3.557 6.866 1.00 0.00 C ATOM 254 C THR A 45 9.187 -2.818 5.830 1.00 0.00 C ATOM 255 O THR A 45 8.918 -3.324 4.756 1.00 0.00 O ATOM 256 CB THR A 45 11.525 -3.421 6.529 1.00 0.00 C ATOM 257 OG1 THR A 45 12.266 -4.379 7.273 1.00 0.00 O ATOM 258 CG2 THR A 45 12.005 -2.017 6.884 1.00 0.00 C ATOM 0 H THR A 45 9.992 -5.491 5.959 1.00 0.00 H new ATOM 0 HA THR A 45 9.779 -3.118 7.829 1.00 0.00 H new ATOM 0 HB THR A 45 11.673 -3.593 5.463 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.218 -4.295 7.057 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.064 -1.923 6.643 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.436 -1.283 6.314 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.859 -1.841 7.950 1.00 0.00 H new ATOM 266 N LEU A 46 8.769 -1.619 6.158 1.00 0.00 N ATOM 267 CA LEU A 46 7.933 -0.813 5.217 1.00 0.00 C ATOM 268 C LEU A 46 8.709 0.414 4.722 1.00 0.00 C ATOM 269 O LEU A 46 9.131 1.246 5.507 1.00 0.00 O ATOM 270 CB LEU A 46 6.725 -0.372 6.050 1.00 0.00 C ATOM 271 CG LEU A 46 5.627 0.173 5.133 1.00 0.00 C ATOM 272 CD1 LEU A 46 4.290 0.158 5.875 1.00 0.00 C ATOM 273 CD2 LEU A 46 5.963 1.606 4.719 1.00 0.00 C ATOM 0 H LEU A 46 8.974 -1.161 7.046 1.00 0.00 H new ATOM 0 HA LEU A 46 7.645 -1.383 4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.343 -1.215 6.627 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.026 0.393 6.765 1.00 0.00 H new ATOM 0 HG LEU A 46 5.558 -0.452 4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.508 0.546 5.223 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.047 -0.864 6.166 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.362 0.781 6.766 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.179 1.990 4.066 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.035 2.234 5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.915 1.618 4.188 1.00 0.00 H new ATOM 285 N TYR A 47 8.874 0.546 3.424 1.00 0.00 N ATOM 286 CA TYR A 47 9.595 1.730 2.859 1.00 0.00 C ATOM 287 C TYR A 47 8.604 2.605 2.086 1.00 0.00 C ATOM 288 O TYR A 47 7.731 2.100 1.402 1.00 0.00 O ATOM 289 CB TYR A 47 10.657 1.170 1.910 1.00 0.00 C ATOM 290 CG TYR A 47 11.628 0.305 2.678 1.00 0.00 C ATOM 291 CD1 TYR A 47 11.380 -1.063 2.825 1.00 0.00 C ATOM 292 CD2 TYR A 47 12.779 0.872 3.238 1.00 0.00 C ATOM 293 CE1 TYR A 47 12.282 -1.866 3.529 1.00 0.00 C ATOM 294 CE2 TYR A 47 13.682 0.069 3.946 1.00 0.00 C ATOM 295 CZ TYR A 47 13.433 -1.302 4.091 1.00 0.00 C ATOM 296 OH TYR A 47 14.322 -2.093 4.786 1.00 0.00 O ATOM 0 H TYR A 47 8.537 -0.121 2.730 1.00 0.00 H new ATOM 0 HA TYR A 47 10.049 2.341 3.639 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.181 0.586 1.122 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.190 1.987 1.424 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.491 -1.500 2.394 1.00 0.00 H new ATOM 0 HD2 TYR A 47 12.971 1.929 3.124 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.090 -2.923 3.639 1.00 0.00 H new ATOM 0 HE2 TYR A 47 14.569 0.506 4.380 1.00 0.00 H new ATOM 0 HH TYR A 47 15.066 -1.543 5.109 1.00 0.00 H new ATOM 306 N ILE A 48 8.730 3.907 2.196 1.00 0.00 N ATOM 307 CA ILE A 48 7.791 4.826 1.476 1.00 0.00 C ATOM 308 C ILE A 48 8.500 5.497 0.294 1.00 0.00 C ATOM 309 O ILE A 48 9.523 6.136 0.456 1.00 0.00 O ATOM 310 CB ILE A 48 7.367 5.876 2.518 1.00 0.00 C ATOM 311 CG1 ILE A 48 6.728 5.193 3.745 1.00 0.00 C ATOM 312 CG2 ILE A 48 6.361 6.850 1.892 1.00 0.00 C ATOM 313 CD1 ILE A 48 5.495 4.377 3.333 1.00 0.00 C ATOM 0 H ILE A 48 9.444 4.374 2.755 1.00 0.00 H new ATOM 0 HA ILE A 48 6.933 4.292 1.068 1.00 0.00 H new ATOM 0 HB ILE A 48 8.253 6.422 2.841 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.458 4.541 4.225 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.443 5.947 4.479 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.063 7.592 2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.822 7.352 1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.482 6.300 1.556 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.061 3.904 4.214 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.758 5.037 2.875 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.789 3.609 2.617 1.00 0.00 H new ATOM 325 N ALA A 49 7.950 5.359 -0.891 1.00 0.00 N ATOM 326 CA ALA A 49 8.565 5.991 -2.099 1.00 0.00 C ATOM 327 C ALA A 49 7.717 7.192 -2.533 1.00 0.00 C ATOM 328 O ALA A 49 6.507 7.180 -2.423 1.00 0.00 O ATOM 329 CB ALA A 49 8.560 4.899 -3.171 1.00 0.00 C ATOM 0 H ALA A 49 7.096 4.832 -1.072 1.00 0.00 H new ATOM 0 HA ALA A 49 9.574 6.359 -1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.998 5.289 -4.090 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.144 4.046 -2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.535 4.583 -3.363 1.00 0.00 H new ATOM 335 N GLU A 50 8.350 8.238 -3.022 1.00 0.00 N ATOM 336 CA GLU A 50 7.600 9.476 -3.458 1.00 0.00 C ATOM 337 C GLU A 50 6.378 9.141 -4.333 1.00 0.00 C ATOM 338 O GLU A 50 5.415 9.888 -4.370 1.00 0.00 O ATOM 339 CB GLU A 50 8.614 10.291 -4.265 1.00 0.00 C ATOM 340 CG GLU A 50 8.005 11.645 -4.634 1.00 0.00 C ATOM 341 CD GLU A 50 8.968 12.410 -5.542 1.00 0.00 C ATOM 342 OE1 GLU A 50 10.052 12.735 -5.083 1.00 0.00 O ATOM 343 OE2 GLU A 50 8.610 12.658 -6.680 1.00 0.00 O ATOM 0 H GLU A 50 9.362 8.291 -3.140 1.00 0.00 H new ATOM 0 HA GLU A 50 7.210 10.015 -2.595 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.524 10.436 -3.684 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.896 9.749 -5.168 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.050 11.500 -5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.804 12.223 -3.732 1.00 0.00 H new ATOM 350 N SER A 51 6.418 8.030 -5.026 1.00 0.00 N ATOM 351 CA SER A 51 5.266 7.632 -5.893 1.00 0.00 C ATOM 352 C SER A 51 5.120 6.107 -5.918 1.00 0.00 C ATOM 353 O SER A 51 4.610 5.547 -6.872 1.00 0.00 O ATOM 354 CB SER A 51 5.619 8.157 -7.283 1.00 0.00 C ATOM 355 OG SER A 51 5.566 9.579 -7.274 1.00 0.00 O ATOM 0 H SER A 51 7.203 7.379 -5.028 1.00 0.00 H new ATOM 0 HA SER A 51 4.320 8.034 -5.531 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.615 7.820 -7.570 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.923 7.760 -8.022 1.00 0.00 H new ATOM 0 HG SER A 51 5.794 9.920 -8.164 1.00 0.00 H new ATOM 361 N ARG A 52 5.561 5.435 -4.876 1.00 0.00 N ATOM 362 CA ARG A 52 5.453 3.943 -4.832 1.00 0.00 C ATOM 363 C ARG A 52 5.616 3.442 -3.395 1.00 0.00 C ATOM 364 O ARG A 52 5.993 4.192 -2.511 1.00 0.00 O ATOM 365 CB ARG A 52 6.606 3.434 -5.701 1.00 0.00 C ATOM 366 CG ARG A 52 6.137 3.282 -7.149 1.00 0.00 C ATOM 367 CD ARG A 52 6.994 2.228 -7.854 1.00 0.00 C ATOM 368 NE ARG A 52 6.609 0.932 -7.229 1.00 0.00 N ATOM 369 CZ ARG A 52 6.822 -0.188 -7.865 1.00 0.00 C ATOM 370 NH1 ARG A 52 6.308 -0.374 -9.049 1.00 0.00 N ATOM 371 NH2 ARG A 52 7.551 -1.122 -7.315 1.00 0.00 N ATOM 0 H ARG A 52 5.991 5.859 -4.054 1.00 0.00 H new ATOM 0 HA ARG A 52 4.484 3.592 -5.187 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.444 4.129 -5.652 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.963 2.476 -5.323 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.087 2.989 -7.174 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.214 4.237 -7.670 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.804 2.220 -8.927 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.057 2.430 -7.720 1.00 0.00 H new ATOM 0 HE ARG A 52 6.179 0.920 -6.304 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.739 0.356 -9.478 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.475 -1.249 -9.546 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.953 -0.976 -6.389 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.718 -1.997 -7.811 1.00 0.00 H new ATOM 385 N LEU A 53 5.345 2.178 -3.166 1.00 0.00 N ATOM 386 CA LEU A 53 5.493 1.607 -1.793 1.00 0.00 C ATOM 387 C LEU A 53 6.363 0.352 -1.851 1.00 0.00 C ATOM 388 O LEU A 53 6.091 -0.561 -2.610 1.00 0.00 O ATOM 389 CB LEU A 53 4.073 1.263 -1.345 1.00 0.00 C ATOM 390 CG LEU A 53 3.970 1.422 0.171 1.00 0.00 C ATOM 391 CD1 LEU A 53 2.513 1.673 0.563 1.00 0.00 C ATOM 392 CD2 LEU A 53 4.468 0.146 0.853 1.00 0.00 C ATOM 0 H LEU A 53 5.027 1.517 -3.875 1.00 0.00 H new ATOM 0 HA LEU A 53 5.972 2.300 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.355 1.916 -1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.826 0.241 -1.633 1.00 0.00 H new ATOM 0 HG LEU A 53 4.581 2.267 0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.442 1.786 1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.157 2.583 0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.900 0.829 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.395 0.259 1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.858 -0.699 0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.507 -0.033 0.577 1.00 0.00 H new ATOM 404 N SER A 54 7.410 0.303 -1.058 1.00 0.00 N ATOM 405 CA SER A 54 8.314 -0.889 -1.065 1.00 0.00 C ATOM 406 C SER A 54 8.294 -1.586 0.294 1.00 0.00 C ATOM 407 O SER A 54 8.598 -0.991 1.309 1.00 0.00 O ATOM 408 CB SER A 54 9.704 -0.332 -1.362 1.00 0.00 C ATOM 409 OG SER A 54 9.822 -0.086 -2.758 1.00 0.00 O ATOM 0 H SER A 54 7.676 1.041 -0.405 1.00 0.00 H new ATOM 0 HA SER A 54 8.006 -1.631 -1.801 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.866 0.590 -0.803 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.468 -1.039 -1.039 1.00 0.00 H new ATOM 0 HG SER A 54 8.934 -0.117 -3.172 1.00 0.00 H new ATOM 415 N TRP A 55 7.935 -2.848 0.312 1.00 0.00 N ATOM 416 CA TRP A 55 7.886 -3.608 1.596 1.00 0.00 C ATOM 417 C TRP A 55 8.866 -4.780 1.570 1.00 0.00 C ATOM 418 O TRP A 55 8.956 -5.495 0.587 1.00 0.00 O ATOM 419 CB TRP A 55 6.448 -4.127 1.694 1.00 0.00 C ATOM 420 CG TRP A 55 5.962 -4.012 3.100 1.00 0.00 C ATOM 421 CD1 TRP A 55 5.383 -2.914 3.618 1.00 0.00 C ATOM 422 CD2 TRP A 55 6.008 -4.999 4.173 1.00 0.00 C ATOM 423 NE1 TRP A 55 5.049 -3.164 4.937 1.00 0.00 N ATOM 424 CE2 TRP A 55 5.421 -4.433 5.327 1.00 0.00 C ATOM 425 CE3 TRP A 55 6.492 -6.318 4.258 1.00 0.00 C ATOM 426 CZ2 TRP A 55 5.315 -5.144 6.522 1.00 0.00 C ATOM 427 CZ3 TRP A 55 6.387 -7.037 5.459 1.00 0.00 C ATOM 428 CH2 TRP A 55 5.800 -6.452 6.588 1.00 0.00 C ATOM 0 H TRP A 55 7.673 -3.385 -0.515 1.00 0.00 H new ATOM 0 HA TRP A 55 8.162 -2.984 2.446 1.00 0.00 H new ATOM 0 HB2 TRP A 55 5.800 -3.557 1.028 1.00 0.00 H new ATOM 0 HB3 TRP A 55 6.404 -5.166 1.369 1.00 0.00 H new ATOM 0 HD1 TRP A 55 5.207 -1.988 3.090 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.584 -2.491 5.547 1.00 0.00 H new ATOM 0 HE3 TRP A 55 6.947 -6.780 3.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.862 -4.687 7.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 6.762 -8.049 5.513 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.722 -7.012 7.508 1.00 0.00 H new ATOM 439 N LEU A 56 9.573 -4.999 2.652 1.00 0.00 N ATOM 440 CA LEU A 56 10.520 -6.148 2.708 1.00 0.00 C ATOM 441 C LEU A 56 9.825 -7.315 3.403 1.00 0.00 C ATOM 442 O LEU A 56 9.284 -7.170 4.487 1.00 0.00 O ATOM 443 CB LEU A 56 11.740 -5.635 3.503 1.00 0.00 C ATOM 444 CG LEU A 56 12.847 -6.713 3.699 1.00 0.00 C ATOM 445 CD1 LEU A 56 12.432 -7.686 4.793 1.00 0.00 C ATOM 446 CD2 LEU A 56 13.130 -7.506 2.406 1.00 0.00 C ATOM 0 H LEU A 56 9.533 -4.430 3.497 1.00 0.00 H new ATOM 0 HA LEU A 56 10.836 -6.504 1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.167 -4.776 2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.407 -5.285 4.480 1.00 0.00 H new ATOM 0 HG LEU A 56 13.760 -6.187 3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.210 -8.438 4.926 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.289 -7.143 5.727 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.500 -8.175 4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.909 -8.245 2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.220 -8.012 2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 56 13.461 -6.822 1.625 1.00 0.00 H new ATOM 458 N ASP A 57 9.838 -8.464 2.774 1.00 0.00 N ATOM 459 CA ASP A 57 9.176 -9.667 3.355 1.00 0.00 C ATOM 460 C ASP A 57 10.089 -10.366 4.364 1.00 0.00 C ATOM 461 O ASP A 57 11.260 -10.614 4.113 1.00 0.00 O ATOM 462 CB ASP A 57 8.885 -10.588 2.169 1.00 0.00 C ATOM 463 CG ASP A 57 7.842 -11.630 2.578 1.00 0.00 C ATOM 464 OD1 ASP A 57 6.666 -11.309 2.537 1.00 0.00 O ATOM 465 OD2 ASP A 57 8.237 -12.732 2.921 1.00 0.00 O ATOM 0 H ASP A 57 10.286 -8.619 1.871 1.00 0.00 H new ATOM 0 HA ASP A 57 8.268 -9.398 3.895 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.521 -10.005 1.323 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.801 -11.082 1.845 1.00 0.00 H new ATOM 470 N GLY A 58 9.529 -10.686 5.503 1.00 0.00 N ATOM 471 CA GLY A 58 10.271 -11.364 6.610 1.00 0.00 C ATOM 472 C GLY A 58 11.019 -12.624 6.147 1.00 0.00 C ATOM 473 O GLY A 58 11.917 -13.082 6.835 1.00 0.00 O ATOM 0 H GLY A 58 8.550 -10.497 5.718 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.984 -10.664 7.044 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.569 -11.634 7.399 1.00 0.00 H new ATOM 477 N SER A 59 10.667 -13.195 5.010 1.00 0.00 N ATOM 478 CA SER A 59 11.371 -14.431 4.533 1.00 0.00 C ATOM 479 C SER A 59 12.643 -14.087 3.735 1.00 0.00 C ATOM 480 O SER A 59 13.181 -14.934 3.043 1.00 0.00 O ATOM 481 CB SER A 59 10.356 -15.137 3.634 1.00 0.00 C ATOM 482 OG SER A 59 9.247 -15.557 4.418 1.00 0.00 O ATOM 0 H SER A 59 9.925 -12.857 4.397 1.00 0.00 H new ATOM 0 HA SER A 59 11.697 -15.051 5.368 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.023 -14.464 2.843 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.819 -15.996 3.148 1.00 0.00 H new ATOM 0 HG SER A 59 8.593 -16.009 3.844 1.00 0.00 H new ATOM 488 N GLY A 60 13.127 -12.861 3.823 1.00 0.00 N ATOM 489 CA GLY A 60 14.356 -12.473 3.073 1.00 0.00 C ATOM 490 C GLY A 60 14.015 -12.110 1.634 1.00 0.00 C ATOM 491 O GLY A 60 14.861 -12.174 0.758 1.00 0.00 O ATOM 0 H GLY A 60 12.715 -12.117 4.386 1.00 0.00 H new ATOM 0 HA2 GLY A 60 14.835 -11.626 3.563 1.00 0.00 H new ATOM 0 HA3 GLY A 60 15.071 -13.295 3.086 1.00 0.00 H new ATOM 495 N LEU A 61 12.788 -11.726 1.386 1.00 0.00 N ATOM 496 CA LEU A 61 12.375 -11.350 0.007 1.00 0.00 C ATOM 497 C LEU A 61 11.910 -9.903 0.028 1.00 0.00 C ATOM 498 O LEU A 61 10.988 -9.569 0.740 1.00 0.00 O ATOM 499 CB LEU A 61 11.200 -12.280 -0.314 1.00 0.00 C ATOM 500 CG LEU A 61 11.704 -13.643 -0.813 1.00 0.00 C ATOM 501 CD1 LEU A 61 12.546 -14.329 0.265 1.00 0.00 C ATOM 502 CD2 LEU A 61 10.500 -14.529 -1.134 1.00 0.00 C ATOM 0 H LEU A 61 12.051 -11.658 2.088 1.00 0.00 H new ATOM 0 HA LEU A 61 13.174 -11.443 -0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.586 -12.418 0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.565 -11.822 -1.072 1.00 0.00 H new ATOM 0 HG LEU A 61 12.317 -13.490 -1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.895 -15.293 -0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.403 -13.702 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.940 -14.481 1.158 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.847 -15.499 -1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.899 -14.665 -0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.895 -14.055 -1.907 1.00 0.00 H new ATOM 514 N GLY A 62 12.528 -9.049 -0.750 1.00 0.00 N ATOM 515 CA GLY A 62 12.107 -7.619 -0.775 1.00 0.00 C ATOM 516 C GLY A 62 11.138 -7.435 -1.926 1.00 0.00 C ATOM 517 O GLY A 62 11.425 -7.865 -3.020 1.00 0.00 O ATOM 0 H GLY A 62 13.305 -9.283 -1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.635 -7.344 0.168 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.973 -6.969 -0.899 1.00 0.00 H new ATOM 521 N PHE A 63 10.003 -6.808 -1.694 1.00 0.00 N ATOM 522 CA PHE A 63 9.025 -6.604 -2.821 1.00 0.00 C ATOM 523 C PHE A 63 8.296 -5.263 -2.685 1.00 0.00 C ATOM 524 O PHE A 63 7.991 -4.818 -1.594 1.00 0.00 O ATOM 525 CB PHE A 63 8.082 -7.839 -2.806 1.00 0.00 C ATOM 526 CG PHE A 63 6.974 -7.758 -1.760 1.00 0.00 C ATOM 527 CD1 PHE A 63 7.277 -7.629 -0.398 1.00 0.00 C ATOM 528 CD2 PHE A 63 5.636 -7.847 -2.170 1.00 0.00 C ATOM 529 CE1 PHE A 63 6.242 -7.591 0.549 1.00 0.00 C ATOM 530 CE2 PHE A 63 4.604 -7.803 -1.224 1.00 0.00 C ATOM 531 CZ PHE A 63 4.905 -7.676 0.134 1.00 0.00 C ATOM 0 H PHE A 63 9.714 -6.434 -0.790 1.00 0.00 H new ATOM 0 HA PHE A 63 9.521 -6.541 -3.790 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.630 -7.951 -3.792 1.00 0.00 H new ATOM 0 HB3 PHE A 63 8.676 -8.735 -2.624 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.306 -7.559 -0.077 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.400 -7.950 -3.219 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.475 -7.496 1.599 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.575 -7.867 -1.545 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.109 -7.643 0.863 1.00 0.00 H new ATOM 541 N SER A 64 8.040 -4.611 -3.798 1.00 0.00 N ATOM 542 CA SER A 64 7.361 -3.283 -3.752 1.00 0.00 C ATOM 543 C SER A 64 6.160 -3.227 -4.695 1.00 0.00 C ATOM 544 O SER A 64 6.190 -3.748 -5.795 1.00 0.00 O ATOM 545 CB SER A 64 8.431 -2.286 -4.196 1.00 0.00 C ATOM 546 OG SER A 64 7.849 -0.996 -4.322 1.00 0.00 O ATOM 0 H SER A 64 8.274 -4.945 -4.733 1.00 0.00 H new ATOM 0 HA SER A 64 6.970 -3.070 -2.757 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.244 -2.261 -3.471 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.862 -2.597 -5.148 1.00 0.00 H new ATOM 0 HG SER A 64 7.092 -0.917 -3.705 1.00 0.00 H new ATOM 552 N LEU A 65 5.113 -2.570 -4.264 1.00 0.00 N ATOM 553 CA LEU A 65 3.893 -2.433 -5.109 1.00 0.00 C ATOM 554 C LEU A 65 3.832 -1.016 -5.694 1.00 0.00 C ATOM 555 O LEU A 65 4.173 -0.049 -5.031 1.00 0.00 O ATOM 556 CB LEU A 65 2.719 -2.675 -4.161 1.00 0.00 C ATOM 557 CG LEU A 65 2.773 -4.112 -3.640 1.00 0.00 C ATOM 558 CD1 LEU A 65 3.667 -4.173 -2.400 1.00 0.00 C ATOM 559 CD2 LEU A 65 1.362 -4.575 -3.272 1.00 0.00 C ATOM 0 H LEU A 65 5.053 -2.118 -3.351 1.00 0.00 H new ATOM 0 HA LEU A 65 3.882 -3.132 -5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.759 -1.973 -3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.777 -2.500 -4.680 1.00 0.00 H new ATOM 0 HG LEU A 65 3.180 -4.763 -4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.705 -5.197 -2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.673 -3.844 -2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.261 -3.522 -1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.400 -5.599 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.955 -3.924 -2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.723 -4.533 -4.154 1.00 0.00 H new ATOM 654 N SER A 71 -7.955 3.021 0.679 1.00 0.00 N ATOM 655 CA SER A 71 -9.410 3.370 0.621 1.00 0.00 C ATOM 656 C SER A 71 -9.908 3.813 2.007 1.00 0.00 C ATOM 657 O SER A 71 -9.956 4.998 2.291 1.00 0.00 O ATOM 658 CB SER A 71 -10.103 2.090 0.138 1.00 0.00 C ATOM 659 OG SER A 71 -11.457 2.070 0.582 1.00 0.00 O ATOM 0 HA SER A 71 -9.620 4.205 -0.048 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.068 2.036 -0.950 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.575 1.215 0.517 1.00 0.00 H new ATOM 0 HG SER A 71 -11.571 1.364 1.252 1.00 0.00 H new ATOM 665 N LEU A 72 -10.273 2.882 2.869 1.00 0.00 N ATOM 666 CA LEU A 72 -10.759 3.265 4.230 1.00 0.00 C ATOM 667 C LEU A 72 -9.695 2.924 5.272 1.00 0.00 C ATOM 668 O LEU A 72 -9.552 1.781 5.639 1.00 0.00 O ATOM 669 CB LEU A 72 -12.027 2.426 4.450 1.00 0.00 C ATOM 670 CG LEU A 72 -12.637 2.727 5.825 1.00 0.00 C ATOM 671 CD1 LEU A 72 -14.134 2.418 5.795 1.00 0.00 C ATOM 672 CD2 LEU A 72 -11.978 1.851 6.895 1.00 0.00 C ATOM 0 H LEU A 72 -10.253 1.879 2.683 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.963 4.332 4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.754 2.643 3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.786 1.366 4.376 1.00 0.00 H new ATOM 0 HG LEU A 72 -12.473 3.779 6.061 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -14.569 2.631 6.771 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.618 3.036 5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.284 1.366 5.553 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.418 2.072 7.868 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.139 0.800 6.654 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.908 2.057 6.925 1.00 0.00 H new ATOM 684 N HIS A 73 -8.942 3.903 5.729 1.00 0.00 N ATOM 685 CA HIS A 73 -7.864 3.633 6.729 1.00 0.00 C ATOM 686 C HIS A 73 -8.259 4.110 8.128 1.00 0.00 C ATOM 687 O HIS A 73 -8.488 5.278 8.372 1.00 0.00 O ATOM 688 CB HIS A 73 -6.632 4.395 6.212 1.00 0.00 C ATOM 689 CG HIS A 73 -6.922 5.873 6.114 1.00 0.00 C ATOM 690 ND1 HIS A 73 -7.456 6.451 4.973 1.00 0.00 N ATOM 691 CD2 HIS A 73 -6.745 6.902 7.005 1.00 0.00 C ATOM 692 CE1 HIS A 73 -7.582 7.770 5.205 1.00 0.00 C ATOM 693 NE2 HIS A 73 -7.163 8.100 6.431 1.00 0.00 N ATOM 0 H HIS A 73 -9.032 4.879 5.448 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.671 2.565 6.827 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.788 4.228 6.881 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.344 4.010 5.234 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.342 6.798 8.002 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -7.974 8.476 4.488 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -7.152 9.028 6.854 1.00 0.00 H new ATOM 701 N ALA A 74 -8.332 3.178 9.045 1.00 0.00 N ATOM 702 CA ALA A 74 -8.703 3.500 10.450 1.00 0.00 C ATOM 703 C ALA A 74 -7.447 3.555 11.324 1.00 0.00 C ATOM 704 O ALA A 74 -6.587 2.691 11.242 1.00 0.00 O ATOM 705 CB ALA A 74 -9.602 2.341 10.889 1.00 0.00 C ATOM 0 H ALA A 74 -8.146 2.190 8.872 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.200 4.466 10.539 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.922 2.499 11.919 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.477 2.293 10.240 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.048 1.405 10.821 1.00 0.00 H new ATOM 711 N VAL A 75 -7.345 4.559 12.159 1.00 0.00 N ATOM 712 CA VAL A 75 -6.154 4.689 13.055 1.00 0.00 C ATOM 713 C VAL A 75 -6.607 4.847 14.511 1.00 0.00 C ATOM 714 O VAL A 75 -7.538 5.569 14.803 1.00 0.00 O ATOM 715 CB VAL A 75 -5.413 5.944 12.571 1.00 0.00 C ATOM 716 CG1 VAL A 75 -4.962 5.741 11.123 1.00 0.00 C ATOM 717 CG2 VAL A 75 -6.335 7.170 12.645 1.00 0.00 C ATOM 0 H VAL A 75 -8.040 5.299 12.259 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.511 3.809 13.017 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.547 6.111 13.212 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.436 6.631 10.778 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.295 4.881 11.067 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.833 5.567 10.492 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.796 8.052 12.299 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.208 7.007 12.013 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.656 7.322 13.675 1.00 0.00 H new ATOM 876 N GLU A 85 0.330 1.799 18.283 1.00 0.00 N ATOM 877 CA GLU A 85 0.499 2.293 16.873 1.00 0.00 C ATOM 878 C GLU A 85 0.135 1.183 15.877 1.00 0.00 C ATOM 879 O GLU A 85 0.938 0.315 15.582 1.00 0.00 O ATOM 880 CB GLU A 85 1.984 2.677 16.742 1.00 0.00 C ATOM 881 CG GLU A 85 2.893 1.482 17.108 1.00 0.00 C ATOM 882 CD GLU A 85 3.861 1.872 18.231 1.00 0.00 C ATOM 883 OE1 GLU A 85 3.496 2.708 19.040 1.00 0.00 O ATOM 884 OE2 GLU A 85 4.951 1.323 18.263 1.00 0.00 O ATOM 0 HA GLU A 85 -0.151 3.141 16.658 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.192 2.999 15.722 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.205 3.521 17.395 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.283 0.636 17.423 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.454 1.161 16.230 1.00 0.00 H new ATOM 891 N HIS A 86 -1.078 1.203 15.371 1.00 0.00 N ATOM 892 CA HIS A 86 -1.520 0.148 14.405 1.00 0.00 C ATOM 893 C HIS A 86 -2.385 0.764 13.290 1.00 0.00 C ATOM 894 O HIS A 86 -3.339 1.467 13.579 1.00 0.00 O ATOM 895 CB HIS A 86 -2.379 -0.784 15.275 1.00 0.00 C ATOM 896 CG HIS A 86 -1.527 -1.856 15.911 1.00 0.00 C ATOM 897 ND1 HIS A 86 -0.651 -1.587 16.951 1.00 0.00 N ATOM 898 CD2 HIS A 86 -1.426 -3.207 15.677 1.00 0.00 C ATOM 899 CE1 HIS A 86 -0.067 -2.748 17.302 1.00 0.00 C ATOM 900 NE2 HIS A 86 -0.503 -3.767 16.557 1.00 0.00 N ATOM 0 H HIS A 86 -1.782 1.908 15.588 1.00 0.00 H new ATOM 0 HA HIS A 86 -0.687 -0.355 13.914 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -2.882 -0.205 16.050 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -3.157 -1.244 14.665 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -1.978 -3.751 14.925 1.00 0.00 H new ATOM 0 HE1 HIS A 86 0.665 -2.844 18.090 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -0.221 -4.745 16.619 1.00 0.00 H new ATOM 908 N LEU A 87 -2.070 0.514 12.020 1.00 0.00 N ATOM 909 CA LEU A 87 -2.892 1.097 10.919 1.00 0.00 C ATOM 910 C LEU A 87 -3.693 0.040 10.140 1.00 0.00 C ATOM 911 O LEU A 87 -3.161 -0.921 9.623 1.00 0.00 O ATOM 912 CB LEU A 87 -1.907 1.825 10.006 1.00 0.00 C ATOM 913 CG LEU A 87 -2.553 3.107 9.478 1.00 0.00 C ATOM 914 CD1 LEU A 87 -1.468 4.054 8.965 1.00 0.00 C ATOM 915 CD2 LEU A 87 -3.506 2.760 8.332 1.00 0.00 C ATOM 0 H LEU A 87 -1.286 -0.064 11.717 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.646 1.769 11.329 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.995 2.063 10.554 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.620 1.181 9.175 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.107 3.591 10.282 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.930 4.967 8.589 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.786 4.301 9.779 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.913 3.570 8.161 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.968 3.672 7.954 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.949 2.276 7.530 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.281 2.085 8.695 1.00 0.00 H new ATOM 927 N TYR A 88 -4.987 0.249 10.063 1.00 0.00 N ATOM 928 CA TYR A 88 -5.900 -0.690 9.330 1.00 0.00 C ATOM 929 C TYR A 88 -6.451 -0.019 8.069 1.00 0.00 C ATOM 930 O TYR A 88 -7.157 0.965 8.221 1.00 0.00 O ATOM 931 CB TYR A 88 -7.080 -0.822 10.315 1.00 0.00 C ATOM 932 CG TYR A 88 -7.862 -2.118 10.192 1.00 0.00 C ATOM 933 CD1 TYR A 88 -7.480 -3.213 10.953 1.00 0.00 C ATOM 934 CD2 TYR A 88 -9.008 -2.204 9.377 1.00 0.00 C ATOM 935 CE1 TYR A 88 -8.230 -4.388 10.929 1.00 0.00 C ATOM 936 CE2 TYR A 88 -9.752 -3.386 9.339 1.00 0.00 C ATOM 937 CZ TYR A 88 -9.369 -4.476 10.124 1.00 0.00 C ATOM 938 OH TYR A 88 -10.114 -5.638 10.107 1.00 0.00 O ATOM 0 H TYR A 88 -5.459 1.048 10.486 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.409 -1.620 9.042 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.698 -0.738 11.333 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.761 0.015 10.160 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.595 -3.155 11.569 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -9.312 -1.356 8.781 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -7.930 -5.231 11.533 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -10.622 -3.457 8.703 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.515 -6.410 10.028 1.00 0.00 H new ATOM 948 N VAL A 89 -6.233 -0.541 6.853 1.00 0.00 N ATOM 949 CA VAL A 89 -6.897 0.129 5.672 1.00 0.00 C ATOM 950 C VAL A 89 -7.650 -0.894 4.803 1.00 0.00 C ATOM 951 O VAL A 89 -7.119 -1.873 4.330 1.00 0.00 O ATOM 952 CB VAL A 89 -5.846 0.989 4.925 1.00 0.00 C ATOM 953 CG1 VAL A 89 -5.065 1.854 5.935 1.00 0.00 C ATOM 954 CG2 VAL A 89 -4.829 0.145 4.192 1.00 0.00 C ATOM 0 H VAL A 89 -5.656 -1.356 6.645 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.677 0.816 6.001 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.398 1.597 4.208 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.328 2.456 5.404 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.757 2.510 6.464 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.558 1.208 6.652 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.115 0.794 3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.301 -0.489 4.904 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.337 -0.480 3.457 1.00 0.00 H new ATOM 964 N MET A 90 -8.935 -0.679 4.650 1.00 0.00 N ATOM 965 CA MET A 90 -9.790 -1.647 3.897 1.00 0.00 C ATOM 966 C MET A 90 -10.009 -1.222 2.448 1.00 0.00 C ATOM 967 O MET A 90 -10.327 -0.084 2.166 1.00 0.00 O ATOM 968 CB MET A 90 -11.097 -1.655 4.683 1.00 0.00 C ATOM 969 CG MET A 90 -10.879 -2.410 6.001 1.00 0.00 C ATOM 970 SD MET A 90 -12.441 -2.497 6.913 1.00 0.00 S ATOM 971 CE MET A 90 -13.221 -3.785 5.909 1.00 0.00 C ATOM 0 H MET A 90 -9.431 0.133 5.018 1.00 0.00 H new ATOM 0 HA MET A 90 -9.331 -2.633 3.823 1.00 0.00 H new ATOM 0 HB2 MET A 90 -11.423 -0.634 4.883 1.00 0.00 H new ATOM 0 HB3 MET A 90 -11.884 -2.133 4.100 1.00 0.00 H new ATOM 0 HG2 MET A 90 -10.507 -3.415 5.800 1.00 0.00 H new ATOM 0 HG3 MET A 90 -10.123 -1.904 6.601 1.00 0.00 H new ATOM 0 HE1 MET A 90 -14.113 -3.382 5.429 1.00 0.00 H new ATOM 0 HE2 MET A 90 -12.521 -4.125 5.146 1.00 0.00 H new ATOM 0 HE3 MET A 90 -13.499 -4.624 6.546 1.00 0.00 H new ATOM 981 N VAL A 91 -9.841 -2.149 1.533 1.00 0.00 N ATOM 982 CA VAL A 91 -10.033 -1.832 0.085 1.00 0.00 C ATOM 983 C VAL A 91 -11.041 -2.809 -0.534 1.00 0.00 C ATOM 984 O VAL A 91 -10.994 -4.005 -0.290 1.00 0.00 O ATOM 985 CB VAL A 91 -8.648 -2.003 -0.559 1.00 0.00 C ATOM 986 CG1 VAL A 91 -8.726 -1.673 -2.053 1.00 0.00 C ATOM 987 CG2 VAL A 91 -7.643 -1.053 0.109 1.00 0.00 C ATOM 0 H VAL A 91 -9.578 -3.115 1.730 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.423 -0.826 -0.068 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.323 -3.035 -0.427 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.742 -1.796 -2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.434 -2.345 -2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.058 -0.643 -2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.663 -1.178 -0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.975 -0.023 -0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.577 -1.283 1.172 1.00 0.00 H new ATOM 997 N ASN A 92 -11.944 -2.301 -1.338 1.00 0.00 N ATOM 998 CA ASN A 92 -12.963 -3.179 -1.992 1.00 0.00 C ATOM 999 C ASN A 92 -12.542 -3.495 -3.431 1.00 0.00 C ATOM 1000 O ASN A 92 -12.236 -2.605 -4.204 1.00 0.00 O ATOM 1001 CB ASN A 92 -14.276 -2.380 -1.962 1.00 0.00 C ATOM 1002 CG ASN A 92 -14.113 -1.053 -2.716 1.00 0.00 C ATOM 1003 OD1 ASN A 92 -13.166 -0.325 -2.494 1.00 0.00 O ATOM 1004 ND2 ASN A 92 -15.004 -0.710 -3.605 1.00 0.00 N ATOM 0 H ASN A 92 -12.019 -1.311 -1.570 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.071 -4.135 -1.480 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.076 -2.966 -2.414 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -14.567 -2.186 -0.930 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -14.905 0.169 -4.113 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -15.799 -1.321 -3.792 1.00 0.00 H new ATOM 1011 N ALA A 93 -12.523 -4.759 -3.786 1.00 0.00 N ATOM 1012 CA ALA A 93 -12.123 -5.157 -5.170 1.00 0.00 C ATOM 1013 C ALA A 93 -13.334 -5.692 -5.934 1.00 0.00 C ATOM 1014 O ALA A 93 -14.219 -6.304 -5.361 1.00 0.00 O ATOM 1015 CB ALA A 93 -11.080 -6.257 -4.980 1.00 0.00 C ATOM 0 H ALA A 93 -12.769 -5.535 -3.171 1.00 0.00 H new ATOM 0 HA ALA A 93 -11.729 -4.318 -5.744 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -10.735 -6.604 -5.954 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.235 -5.864 -4.415 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -11.525 -7.090 -4.435 1.00 0.00 H new ATOM 1320 N PRO A 115 -15.972 -10.247 -0.989 1.00 0.00 N ATOM 1321 CA PRO A 115 -15.949 -9.237 -2.080 1.00 0.00 C ATOM 1322 C PRO A 115 -14.949 -8.125 -1.749 1.00 0.00 C ATOM 1323 O PRO A 115 -14.357 -7.528 -2.630 1.00 0.00 O ATOM 1324 CB PRO A 115 -17.375 -8.693 -2.106 1.00 0.00 C ATOM 1325 CG PRO A 115 -17.906 -8.931 -0.731 1.00 0.00 C ATOM 1326 CD PRO A 115 -17.216 -10.158 -0.197 1.00 0.00 C ATOM 0 HA PRO A 115 -15.643 -9.652 -3.040 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -17.388 -7.632 -2.356 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -17.979 -9.204 -2.856 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -17.714 -8.071 -0.090 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -18.986 -9.076 -0.755 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -17.004 -10.064 0.868 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -17.833 -11.048 -0.322 1.00 0.00 H new ATOM 1334 N ILE A 116 -14.759 -7.851 -0.480 1.00 0.00 N ATOM 1335 CA ILE A 116 -13.800 -6.780 -0.063 1.00 0.00 C ATOM 1336 C ILE A 116 -12.667 -7.398 0.765 1.00 0.00 C ATOM 1337 O ILE A 116 -12.888 -8.299 1.554 1.00 0.00 O ATOM 1338 CB ILE A 116 -14.629 -5.803 0.787 1.00 0.00 C ATOM 1339 CG1 ILE A 116 -15.767 -5.226 -0.061 1.00 0.00 C ATOM 1340 CG2 ILE A 116 -13.742 -4.652 1.280 1.00 0.00 C ATOM 1341 CD1 ILE A 116 -16.705 -4.414 0.833 1.00 0.00 C ATOM 0 H ILE A 116 -15.231 -8.327 0.289 1.00 0.00 H new ATOM 0 HA ILE A 116 -13.340 -6.276 -0.913 1.00 0.00 H new ATOM 0 HB ILE A 116 -15.038 -6.339 1.644 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -15.362 -4.594 -0.851 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -16.317 -6.031 -0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -14.338 -3.965 1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -12.929 -5.053 1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -13.328 -4.119 0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -17.515 -4.003 0.231 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -17.119 -5.060 1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -16.150 -3.600 1.299 1.00 0.00 H new ATOM 1353 N ALA A 117 -11.462 -6.909 0.592 1.00 0.00 N ATOM 1354 CA ALA A 117 -10.304 -7.448 1.361 1.00 0.00 C ATOM 1355 C ALA A 117 -9.903 -6.446 2.443 1.00 0.00 C ATOM 1356 O ALA A 117 -9.868 -5.246 2.183 1.00 0.00 O ATOM 1357 CB ALA A 117 -9.189 -7.589 0.327 1.00 0.00 C ATOM 0 H ALA A 117 -11.233 -6.154 -0.055 1.00 0.00 H new ATOM 0 HA ALA A 117 -10.525 -8.393 1.857 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -8.294 -7.982 0.809 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -9.507 -8.273 -0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -8.969 -6.613 -0.107 1.00 0.00 H new ATOM 1363 N GLU A 118 -9.589 -6.911 3.643 1.00 0.00 N ATOM 1364 CA GLU A 118 -9.180 -5.940 4.713 1.00 0.00 C ATOM 1365 C GLU A 118 -7.665 -5.939 4.835 1.00 0.00 C ATOM 1366 O GLU A 118 -7.083 -6.880 5.324 1.00 0.00 O ATOM 1367 CB GLU A 118 -9.833 -6.425 6.013 1.00 0.00 C ATOM 1368 CG GLU A 118 -9.456 -5.506 7.182 1.00 0.00 C ATOM 1369 CD GLU A 118 -8.211 -6.066 7.889 1.00 0.00 C ATOM 1370 OE1 GLU A 118 -8.380 -6.855 8.801 1.00 0.00 O ATOM 1371 OE2 GLU A 118 -7.114 -5.699 7.504 1.00 0.00 O ATOM 0 H GLU A 118 -9.599 -7.893 3.917 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.496 -4.922 4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -10.916 -6.447 5.896 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.514 -7.445 6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.259 -4.498 6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -10.286 -5.434 7.885 1.00 0.00 H new ATOM 1378 N PHE A 119 -7.039 -4.876 4.423 1.00 0.00 N ATOM 1379 CA PHE A 119 -5.562 -4.781 4.530 1.00 0.00 C ATOM 1380 C PHE A 119 -5.253 -4.026 5.818 1.00 0.00 C ATOM 1381 O PHE A 119 -5.741 -2.939 6.026 1.00 0.00 O ATOM 1382 CB PHE A 119 -5.171 -4.030 3.228 1.00 0.00 C ATOM 1383 CG PHE A 119 -3.750 -3.484 3.223 1.00 0.00 C ATOM 1384 CD1 PHE A 119 -3.373 -2.470 4.103 1.00 0.00 C ATOM 1385 CD2 PHE A 119 -2.825 -3.956 2.280 1.00 0.00 C ATOM 1386 CE1 PHE A 119 -2.096 -1.931 4.061 1.00 0.00 C ATOM 1387 CE2 PHE A 119 -1.530 -3.412 2.241 1.00 0.00 C ATOM 1388 CZ PHE A 119 -1.174 -2.395 3.136 1.00 0.00 C ATOM 0 H PHE A 119 -7.494 -4.060 4.012 1.00 0.00 H new ATOM 0 HA PHE A 119 -5.008 -5.717 4.597 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.291 -4.707 2.382 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.866 -3.204 3.076 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.084 -2.100 4.826 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -3.107 -4.735 1.587 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -1.819 -1.148 4.751 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -0.811 -3.777 1.523 1.00 0.00 H new ATOM 0 HZ PHE A 119 -0.181 -1.972 3.105 1.00 0.00 H new ATOM 1398 N ARG A 120 -4.448 -4.587 6.680 1.00 0.00 N ATOM 1399 CA ARG A 120 -4.096 -3.868 7.937 1.00 0.00 C ATOM 1400 C ARG A 120 -2.589 -3.832 8.027 1.00 0.00 C ATOM 1401 O ARG A 120 -1.943 -4.858 8.030 1.00 0.00 O ATOM 1402 CB ARG A 120 -4.741 -4.687 9.069 1.00 0.00 C ATOM 1403 CG ARG A 120 -4.322 -4.138 10.438 1.00 0.00 C ATOM 1404 CD ARG A 120 -4.806 -5.087 11.539 1.00 0.00 C ATOM 1405 NE ARG A 120 -4.924 -4.245 12.770 1.00 0.00 N ATOM 1406 CZ ARG A 120 -5.071 -4.806 13.946 1.00 0.00 C ATOM 1407 NH1 ARG A 120 -5.798 -5.885 14.078 1.00 0.00 N ATOM 1408 NH2 ARG A 120 -4.498 -4.279 14.993 1.00 0.00 N ATOM 0 H ARG A 120 -4.021 -5.507 6.569 1.00 0.00 H new ATOM 0 HA ARG A 120 -4.452 -2.839 7.987 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -5.826 -4.655 8.975 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -4.444 -5.732 8.984 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -3.238 -4.034 10.484 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -4.744 -3.144 10.588 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -5.764 -5.535 11.277 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -4.102 -5.905 11.689 1.00 0.00 H new ATOM 0 HE ARG A 120 -4.890 -3.228 12.694 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -6.255 -6.295 13.263 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.908 -6.317 14.996 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -3.937 -3.433 14.896 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -4.611 -4.713 15.909 1.00 0.00 H new ATOM 1422 N PHE A 121 -2.010 -2.654 8.071 1.00 0.00 N ATOM 1423 CA PHE A 121 -0.526 -2.558 8.151 1.00 0.00 C ATOM 1424 C PHE A 121 -0.198 -1.853 9.441 1.00 0.00 C ATOM 1425 O PHE A 121 -0.535 -0.697 9.653 1.00 0.00 O ATOM 1426 CB PHE A 121 -0.051 -1.832 6.880 1.00 0.00 C ATOM 1427 CG PHE A 121 0.406 -2.875 5.849 1.00 0.00 C ATOM 1428 CD1 PHE A 121 -0.423 -3.965 5.516 1.00 0.00 C ATOM 1429 CD2 PHE A 121 1.667 -2.776 5.251 1.00 0.00 C ATOM 1430 CE1 PHE A 121 -0.003 -4.929 4.600 1.00 0.00 C ATOM 1431 CE2 PHE A 121 2.078 -3.750 4.323 1.00 0.00 C ATOM 1432 CZ PHE A 121 1.243 -4.821 4.002 1.00 0.00 C ATOM 0 H PHE A 121 -2.503 -1.761 8.055 1.00 0.00 H new ATOM 0 HA PHE A 121 -0.010 -3.518 8.176 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -0.858 -1.225 6.469 1.00 0.00 H new ATOM 0 HB3 PHE A 121 0.768 -1.154 7.118 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -1.396 -4.055 5.976 1.00 0.00 H new ATOM 0 HD2 PHE A 121 2.322 -1.955 5.501 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -0.649 -5.760 4.356 1.00 0.00 H new ATOM 0 HE2 PHE A 121 3.048 -3.668 3.855 1.00 0.00 H new ATOM 0 HZ PHE A 121 1.567 -5.565 3.289 1.00 0.00 H new ATOM 1442 N VAL A 122 0.358 -2.600 10.351 1.00 0.00 N ATOM 1443 CA VAL A 122 0.621 -2.063 11.709 1.00 0.00 C ATOM 1444 C VAL A 122 2.087 -2.312 12.137 1.00 0.00 C ATOM 1445 O VAL A 122 2.531 -3.443 12.179 1.00 0.00 O ATOM 1446 CB VAL A 122 -0.388 -2.810 12.606 1.00 0.00 C ATOM 1447 CG1 VAL A 122 -1.831 -2.397 12.222 1.00 0.00 C ATOM 1448 CG2 VAL A 122 -0.255 -4.340 12.454 1.00 0.00 C ATOM 0 H VAL A 122 0.644 -3.569 10.209 1.00 0.00 H new ATOM 0 HA VAL A 122 0.496 -0.982 11.770 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.175 -2.542 13.641 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.542 -2.926 12.857 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.951 -1.322 12.360 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.017 -2.652 11.179 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -0.981 -4.834 13.100 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.442 -4.620 11.417 1.00 0.00 H new ATOM 0 HG23 VAL A 122 0.752 -4.648 12.737 1.00 0.00 H new ATOM 1458 N PRO A 123 2.811 -1.236 12.451 1.00 0.00 N ATOM 1459 CA PRO A 123 4.214 -1.370 12.879 1.00 0.00 C ATOM 1460 C PRO A 123 4.303 -1.460 14.405 1.00 0.00 C ATOM 1461 O PRO A 123 3.315 -1.316 15.103 1.00 0.00 O ATOM 1462 CB PRO A 123 4.853 -0.069 12.399 1.00 0.00 C ATOM 1463 CG PRO A 123 3.733 0.930 12.318 1.00 0.00 C ATOM 1464 CD PRO A 123 2.423 0.186 12.434 1.00 0.00 C ATOM 0 HA PRO A 123 4.695 -2.264 12.483 1.00 0.00 H new ATOM 0 HB2 PRO A 123 5.626 0.265 13.090 1.00 0.00 H new ATOM 0 HB3 PRO A 123 5.330 -0.202 11.428 1.00 0.00 H new ATOM 0 HG2 PRO A 123 3.823 1.667 13.116 1.00 0.00 H new ATOM 0 HG3 PRO A 123 3.778 1.475 11.375 1.00 0.00 H new ATOM 0 HD2 PRO A 123 1.888 0.463 13.342 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.764 0.408 11.595 1.00 0.00 H new ATOM 1472 N SER A 124 5.489 -1.673 14.919 1.00 0.00 N ATOM 1473 CA SER A 124 5.680 -1.750 16.399 1.00 0.00 C ATOM 1474 C SER A 124 6.481 -0.533 16.876 1.00 0.00 C ATOM 1475 O SER A 124 7.219 -0.606 17.842 1.00 0.00 O ATOM 1476 CB SER A 124 6.467 -3.039 16.633 1.00 0.00 C ATOM 1477 OG SER A 124 6.004 -3.663 17.822 1.00 0.00 O ATOM 0 H SER A 124 6.340 -1.798 14.371 1.00 0.00 H new ATOM 0 HA SER A 124 4.736 -1.752 16.945 1.00 0.00 H new ATOM 0 HB2 SER A 124 6.345 -3.712 15.784 1.00 0.00 H new ATOM 0 HB3 SER A 124 7.531 -2.819 16.715 1.00 0.00 H new ATOM 0 HG SER A 124 6.506 -4.491 17.974 1.00 0.00 H new ATOM 1483 N ASP A 125 6.338 0.582 16.196 1.00 0.00 N ATOM 1484 CA ASP A 125 7.087 1.818 16.582 1.00 0.00 C ATOM 1485 C ASP A 125 6.179 3.042 16.509 1.00 0.00 C ATOM 1486 O ASP A 125 5.669 3.386 15.460 1.00 0.00 O ATOM 1487 CB ASP A 125 8.223 1.922 15.563 1.00 0.00 C ATOM 1488 CG ASP A 125 9.197 3.026 15.985 1.00 0.00 C ATOM 1489 OD1 ASP A 125 8.751 3.998 16.573 1.00 0.00 O ATOM 1490 OD2 ASP A 125 10.378 2.880 15.713 1.00 0.00 O ATOM 0 H ASP A 125 5.729 0.687 15.384 1.00 0.00 H new ATOM 0 HA ASP A 125 7.459 1.772 17.606 1.00 0.00 H new ATOM 0 HB2 ASP A 125 8.748 0.969 15.491 1.00 0.00 H new ATOM 0 HB3 ASP A 125 7.819 2.139 14.574 1.00 0.00 H new ATOM 1495 N LYS A 126 5.988 3.717 17.624 1.00 0.00 N ATOM 1496 CA LYS A 126 5.124 4.947 17.635 1.00 0.00 C ATOM 1497 C LYS A 126 5.701 5.979 16.657 1.00 0.00 C ATOM 1498 O LYS A 126 4.979 6.706 15.998 1.00 0.00 O ATOM 1499 CB LYS A 126 5.157 5.471 19.083 1.00 0.00 C ATOM 1500 CG LYS A 126 6.594 5.818 19.502 1.00 0.00 C ATOM 1501 CD LYS A 126 6.586 6.382 20.924 1.00 0.00 C ATOM 1502 CE LYS A 126 6.253 5.264 21.915 1.00 0.00 C ATOM 1503 NZ LYS A 126 6.471 5.865 23.260 1.00 0.00 N ATOM 0 H LYS A 126 6.393 3.469 18.526 1.00 0.00 H new ATOM 0 HA LYS A 126 4.100 4.742 17.324 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.524 6.354 19.170 1.00 0.00 H new ATOM 0 HB3 LYS A 126 4.748 4.718 19.757 1.00 0.00 H new ATOM 0 HG2 LYS A 126 7.223 4.929 19.455 1.00 0.00 H new ATOM 0 HG3 LYS A 126 7.020 6.547 18.812 1.00 0.00 H new ATOM 0 HD2 LYS A 126 7.558 6.814 21.161 1.00 0.00 H new ATOM 0 HD3 LYS A 126 5.852 7.184 21.004 1.00 0.00 H new ATOM 0 HE2 LYS A 126 5.224 4.925 21.796 1.00 0.00 H new ATOM 0 HE3 LYS A 126 6.895 4.396 21.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 6.263 5.158 23.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 7.461 6.173 23.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 5.842 6.684 23.380 1.00 0.00 H new ATOM 1517 N SER A 127 7.009 6.002 16.545 1.00 0.00 N ATOM 1518 CA SER A 127 7.670 6.943 15.593 1.00 0.00 C ATOM 1519 C SER A 127 7.305 6.533 14.167 1.00 0.00 C ATOM 1520 O SER A 127 7.202 7.369 13.283 1.00 0.00 O ATOM 1521 CB SER A 127 9.175 6.791 15.830 1.00 0.00 C ATOM 1522 OG SER A 127 9.865 7.810 15.118 1.00 0.00 O ATOM 0 H SER A 127 7.646 5.407 17.075 1.00 0.00 H new ATOM 0 HA SER A 127 7.358 7.977 15.739 1.00 0.00 H new ATOM 0 HB2 SER A 127 9.397 6.861 16.895 1.00 0.00 H new ATOM 0 HB3 SER A 127 9.510 5.808 15.499 1.00 0.00 H new ATOM 0 HG SER A 127 10.829 7.718 15.268 1.00 0.00 H new ATOM 1528 N ALA A 128 7.098 5.247 13.938 1.00 0.00 N ATOM 1529 CA ALA A 128 6.722 4.786 12.563 1.00 0.00 C ATOM 1530 C ALA A 128 5.278 5.198 12.261 1.00 0.00 C ATOM 1531 O ALA A 128 4.938 5.510 11.134 1.00 0.00 O ATOM 1532 CB ALA A 128 6.853 3.266 12.583 1.00 0.00 C ATOM 0 H ALA A 128 7.174 4.510 14.639 1.00 0.00 H new ATOM 0 HA ALA A 128 7.357 5.226 11.794 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.591 2.865 11.604 1.00 0.00 H new ATOM 0 HB2 ALA A 128 7.880 2.992 12.824 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.181 2.853 13.335 1.00 0.00 H new ATOM 1538 N LEU A 129 4.433 5.197 13.266 1.00 0.00 N ATOM 1539 CA LEU A 129 3.000 5.585 13.056 1.00 0.00 C ATOM 1540 C LEU A 129 2.897 7.080 12.738 1.00 0.00 C ATOM 1541 O LEU A 129 2.209 7.471 11.810 1.00 0.00 O ATOM 1542 CB LEU A 129 2.285 5.255 14.379 1.00 0.00 C ATOM 1543 CG LEU A 129 0.986 4.470 14.116 1.00 0.00 C ATOM 1544 CD1 LEU A 129 0.030 5.303 13.256 1.00 0.00 C ATOM 1545 CD2 LEU A 129 1.301 3.152 13.392 1.00 0.00 C ATOM 0 H LEU A 129 4.674 4.944 14.224 1.00 0.00 H new ATOM 0 HA LEU A 129 2.551 5.053 12.218 1.00 0.00 H new ATOM 0 HB2 LEU A 129 2.946 4.670 15.019 1.00 0.00 H new ATOM 0 HB3 LEU A 129 2.057 6.177 14.914 1.00 0.00 H new ATOM 0 HG LEU A 129 0.514 4.253 15.074 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.885 4.738 13.077 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -0.212 6.230 13.775 1.00 0.00 H new ATOM 0 HD13 LEU A 129 0.506 5.535 12.303 1.00 0.00 H new ATOM 0 HD21 LEU A 129 0.375 2.606 13.211 1.00 0.00 H new ATOM 0 HD22 LEU A 129 1.787 3.367 12.440 1.00 0.00 H new ATOM 0 HD23 LEU A 129 1.965 2.547 14.010 1.00 0.00 H new ATOM 1557 N GLU A 130 3.583 7.912 13.494 1.00 0.00 N ATOM 1558 CA GLU A 130 3.532 9.384 13.229 1.00 0.00 C ATOM 1559 C GLU A 130 4.160 9.679 11.863 1.00 0.00 C ATOM 1560 O GLU A 130 3.708 10.553 11.137 1.00 0.00 O ATOM 1561 CB GLU A 130 4.311 10.049 14.374 1.00 0.00 C ATOM 1562 CG GLU A 130 5.775 9.593 14.382 1.00 0.00 C ATOM 1563 CD GLU A 130 6.542 10.367 15.456 1.00 0.00 C ATOM 1564 OE1 GLU A 130 6.050 10.436 16.571 1.00 0.00 O ATOM 1565 OE2 GLU A 130 7.604 10.877 15.146 1.00 0.00 O ATOM 0 H GLU A 130 4.172 7.633 14.279 1.00 0.00 H new ATOM 0 HA GLU A 130 2.512 9.768 13.196 1.00 0.00 H new ATOM 0 HB2 GLU A 130 4.265 11.133 14.268 1.00 0.00 H new ATOM 0 HB3 GLU A 130 3.844 9.802 15.328 1.00 0.00 H new ATOM 0 HG2 GLU A 130 5.833 8.522 14.578 1.00 0.00 H new ATOM 0 HG3 GLU A 130 6.226 9.763 13.404 1.00 0.00 H new ATOM 1572 N ALA A 131 5.183 8.934 11.501 1.00 0.00 N ATOM 1573 CA ALA A 131 5.835 9.142 10.169 1.00 0.00 C ATOM 1574 C ALA A 131 4.838 8.785 9.066 1.00 0.00 C ATOM 1575 O ALA A 131 4.730 9.474 8.067 1.00 0.00 O ATOM 1576 CB ALA A 131 7.035 8.191 10.140 1.00 0.00 C ATOM 0 H ALA A 131 5.592 8.193 12.071 1.00 0.00 H new ATOM 0 HA ALA A 131 6.151 10.174 10.014 1.00 0.00 H new ATOM 0 HB1 ALA A 131 7.558 8.294 9.189 1.00 0.00 H new ATOM 0 HB2 ALA A 131 7.714 8.438 10.956 1.00 0.00 H new ATOM 0 HB3 ALA A 131 6.688 7.164 10.255 1.00 0.00 H new ATOM 1582 N MET A 132 4.098 7.718 9.261 1.00 0.00 N ATOM 1583 CA MET A 132 3.081 7.305 8.242 1.00 0.00 C ATOM 1584 C MET A 132 1.987 8.368 8.162 1.00 0.00 C ATOM 1585 O MET A 132 1.470 8.657 7.099 1.00 0.00 O ATOM 1586 CB MET A 132 2.505 5.976 8.744 1.00 0.00 C ATOM 1587 CG MET A 132 3.533 4.862 8.541 1.00 0.00 C ATOM 1588 SD MET A 132 3.736 4.542 6.770 1.00 0.00 S ATOM 1589 CE MET A 132 2.043 3.999 6.442 1.00 0.00 C ATOM 0 H MET A 132 4.155 7.116 10.082 1.00 0.00 H new ATOM 0 HA MET A 132 3.511 7.196 7.246 1.00 0.00 H new ATOM 0 HB2 MET A 132 2.245 6.056 9.799 1.00 0.00 H new ATOM 0 HB3 MET A 132 1.587 5.740 8.206 1.00 0.00 H new ATOM 0 HG2 MET A 132 4.488 5.149 8.981 1.00 0.00 H new ATOM 0 HG3 MET A 132 3.207 3.955 9.050 1.00 0.00 H new ATOM 0 HE1 MET A 132 2.027 3.378 5.546 1.00 0.00 H new ATOM 0 HE2 MET A 132 1.675 3.421 7.290 1.00 0.00 H new ATOM 0 HE3 MET A 132 1.404 4.869 6.292 1.00 0.00 H new ATOM 1599 N PHE A 133 1.644 8.956 9.284 1.00 0.00 N ATOM 1600 CA PHE A 133 0.589 10.021 9.294 1.00 0.00 C ATOM 1601 C PHE A 133 1.067 11.206 8.491 1.00 0.00 C ATOM 1602 O PHE A 133 0.308 11.800 7.748 1.00 0.00 O ATOM 1603 CB PHE A 133 0.366 10.367 10.782 1.00 0.00 C ATOM 1604 CG PHE A 133 -0.496 9.308 11.509 1.00 0.00 C ATOM 1605 CD1 PHE A 133 -0.875 8.087 10.893 1.00 0.00 C ATOM 1606 CD2 PHE A 133 -0.909 9.565 12.823 1.00 0.00 C ATOM 1607 CE1 PHE A 133 -1.652 7.155 11.590 1.00 0.00 C ATOM 1608 CE2 PHE A 133 -1.686 8.627 13.515 1.00 0.00 C ATOM 1609 CZ PHE A 133 -2.058 7.426 12.901 1.00 0.00 C ATOM 0 H PHE A 133 2.050 8.744 10.195 1.00 0.00 H new ATOM 0 HA PHE A 133 -0.348 9.701 8.839 1.00 0.00 H new ATOM 0 HB2 PHE A 133 1.331 10.452 11.281 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -0.118 11.341 10.858 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -0.562 7.876 9.881 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -0.627 10.490 13.304 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -1.938 6.227 11.116 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -2.000 8.832 14.528 1.00 0.00 H new ATOM 0 HZ PHE A 133 -2.659 6.708 13.439 1.00 0.00 H new ATOM 1619 N THR A 134 2.333 11.518 8.598 1.00 0.00 N ATOM 1620 CA THR A 134 2.893 12.636 7.789 1.00 0.00 C ATOM 1621 C THR A 134 2.860 12.208 6.319 1.00 0.00 C ATOM 1622 O THR A 134 2.633 13.011 5.432 1.00 0.00 O ATOM 1623 CB THR A 134 4.333 12.829 8.273 1.00 0.00 C ATOM 1624 OG1 THR A 134 4.332 13.042 9.678 1.00 0.00 O ATOM 1625 CG2 THR A 134 4.951 14.040 7.572 1.00 0.00 C ATOM 0 H THR A 134 3.000 11.047 9.210 1.00 0.00 H new ATOM 0 HA THR A 134 2.335 13.566 7.893 1.00 0.00 H new ATOM 0 HB THR A 134 4.919 11.940 8.039 1.00 0.00 H new ATOM 0 HG1 THR A 134 4.248 12.181 10.139 1.00 0.00 H new ATOM 0 HG21 THR A 134 5.976 14.176 7.917 1.00 0.00 H new ATOM 0 HG22 THR A 134 4.950 13.876 6.494 1.00 0.00 H new ATOM 0 HG23 THR A 134 4.368 14.931 7.804 1.00 0.00 H new ATOM 1633 N ALA A 135 3.064 10.927 6.066 1.00 0.00 N ATOM 1634 CA ALA A 135 3.024 10.420 4.657 1.00 0.00 C ATOM 1635 C ALA A 135 1.588 10.482 4.124 1.00 0.00 C ATOM 1636 O ALA A 135 1.341 10.956 3.031 1.00 0.00 O ATOM 1637 CB ALA A 135 3.506 8.969 4.728 1.00 0.00 C ATOM 0 H ALA A 135 3.255 10.219 6.775 1.00 0.00 H new ATOM 0 HA ALA A 135 3.646 11.015 3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 135 3.502 8.535 3.728 1.00 0.00 H new ATOM 0 HB2 ALA A 135 4.518 8.941 5.131 1.00 0.00 H new ATOM 0 HB3 ALA A 135 2.842 8.396 5.375 1.00 0.00 H new ATOM 1643 N MET A 136 0.645 10.009 4.906 1.00 0.00 N ATOM 1644 CA MET A 136 -0.790 10.036 4.475 1.00 0.00 C ATOM 1645 C MET A 136 -1.313 11.470 4.499 1.00 0.00 C ATOM 1646 O MET A 136 -1.936 11.926 3.557 1.00 0.00 O ATOM 1647 CB MET A 136 -1.544 9.173 5.493 1.00 0.00 C ATOM 1648 CG MET A 136 -1.569 7.721 5.017 1.00 0.00 C ATOM 1649 SD MET A 136 0.102 7.033 5.083 1.00 0.00 S ATOM 1650 CE MET A 136 -0.133 5.742 3.836 1.00 0.00 C ATOM 0 H MET A 136 0.809 9.604 5.828 1.00 0.00 H new ATOM 0 HA MET A 136 -0.919 9.660 3.460 1.00 0.00 H new ATOM 0 HB2 MET A 136 -1.061 9.238 6.468 1.00 0.00 H new ATOM 0 HB3 MET A 136 -2.562 9.543 5.616 1.00 0.00 H new ATOM 0 HG2 MET A 136 -2.240 7.134 5.644 1.00 0.00 H new ATOM 0 HG3 MET A 136 -1.955 7.668 3.999 1.00 0.00 H new ATOM 0 HE1 MET A 136 0.794 5.182 3.713 1.00 0.00 H new ATOM 0 HE2 MET A 136 -0.926 5.066 4.157 1.00 0.00 H new ATOM 0 HE3 MET A 136 -0.409 6.200 2.886 1.00 0.00 H new ATOM 1660 N CYS A 137 -1.056 12.178 5.573 1.00 0.00 N ATOM 1661 CA CYS A 137 -1.534 13.598 5.679 1.00 0.00 C ATOM 1662 C CYS A 137 -0.933 14.443 4.550 1.00 0.00 C ATOM 1663 O CYS A 137 -1.624 15.223 3.916 1.00 0.00 O ATOM 1664 CB CYS A 137 -1.041 14.098 7.040 1.00 0.00 C ATOM 1665 SG CYS A 137 -1.836 15.678 7.425 1.00 0.00 S ATOM 0 H CYS A 137 -0.536 11.836 6.381 1.00 0.00 H new ATOM 0 HA CYS A 137 -2.618 13.669 5.593 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -1.270 13.365 7.814 1.00 0.00 H new ATOM 0 HB3 CYS A 137 0.042 14.218 7.025 1.00 0.00 H new ATOM 0 HG CYS A 137 -1.420 16.103 8.581 1.00 0.00 H new ATOM 1671 N GLU A 138 0.347 14.284 4.299 1.00 0.00 N ATOM 1672 CA GLU A 138 1.009 15.071 3.208 1.00 0.00 C ATOM 1673 C GLU A 138 0.495 14.613 1.848 1.00 0.00 C ATOM 1674 O GLU A 138 0.336 15.399 0.931 1.00 0.00 O ATOM 1675 CB GLU A 138 2.508 14.787 3.342 1.00 0.00 C ATOM 1676 CG GLU A 138 3.285 15.659 2.353 1.00 0.00 C ATOM 1677 CD GLU A 138 4.773 15.303 2.405 1.00 0.00 C ATOM 1678 OE1 GLU A 138 5.241 14.944 3.474 1.00 0.00 O ATOM 1679 OE2 GLU A 138 5.420 15.397 1.375 1.00 0.00 O ATOM 0 H GLU A 138 0.961 13.644 4.802 1.00 0.00 H new ATOM 0 HA GLU A 138 0.798 16.137 3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 138 2.838 14.992 4.360 1.00 0.00 H new ATOM 0 HB3 GLU A 138 2.708 13.733 3.148 1.00 0.00 H new ATOM 0 HG2 GLU A 138 2.901 15.510 1.344 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.145 16.713 2.595 1.00 0.00 H new ATOM 1686 N CYS A 139 0.234 13.344 1.728 1.00 0.00 N ATOM 1687 CA CYS A 139 -0.282 12.786 0.437 1.00 0.00 C ATOM 1688 C CYS A 139 -1.725 13.241 0.209 1.00 0.00 C ATOM 1689 O CYS A 139 -2.117 13.545 -0.905 1.00 0.00 O ATOM 1690 CB CYS A 139 -0.217 11.265 0.594 1.00 0.00 C ATOM 1691 SG CYS A 139 1.427 10.676 0.116 1.00 0.00 S ATOM 0 H CYS A 139 0.355 12.658 2.473 1.00 0.00 H new ATOM 0 HA CYS A 139 0.302 13.126 -0.419 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -0.428 10.986 1.626 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -0.979 10.792 -0.026 1.00 0.00 H new ATOM 0 HG CYS A 139 2.167 10.546 1.177 1.00 0.00 H new ATOM 1697 N GLN A 140 -2.509 13.292 1.257 1.00 0.00 N ATOM 1698 CA GLN A 140 -3.936 13.732 1.121 1.00 0.00 C ATOM 1699 C GLN A 140 -3.993 15.229 0.808 1.00 0.00 C ATOM 1700 O GLN A 140 -4.830 15.676 0.041 1.00 0.00 O ATOM 1701 CB GLN A 140 -4.587 13.449 2.480 1.00 0.00 C ATOM 1702 CG GLN A 140 -5.366 12.135 2.414 1.00 0.00 C ATOM 1703 CD GLN A 140 -6.094 11.907 3.727 1.00 0.00 C ATOM 1704 OE1 GLN A 140 -6.927 12.696 4.130 1.00 0.00 O ATOM 1705 NE2 GLN A 140 -5.807 10.844 4.419 1.00 0.00 N ATOM 0 H GLN A 140 -2.223 13.047 2.205 1.00 0.00 H new ATOM 0 HA GLN A 140 -4.448 13.209 0.313 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -3.823 13.392 3.255 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -5.255 14.266 2.751 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -6.080 12.165 1.591 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -4.686 11.307 2.215 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -5.107 10.186 4.076 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -6.281 10.669 5.305 1.00 0.00 H new ATOM 1714 N ALA A 141 -3.109 15.999 1.396 1.00 0.00 N ATOM 1715 CA ALA A 141 -3.101 17.475 1.143 1.00 0.00 C ATOM 1716 C ALA A 141 -2.559 17.774 -0.258 1.00 0.00 C ATOM 1717 O ALA A 141 -3.074 18.629 -0.958 1.00 0.00 O ATOM 1718 CB ALA A 141 -2.179 18.069 2.213 1.00 0.00 C ATOM 0 H ALA A 141 -2.392 15.669 2.041 1.00 0.00 H new ATOM 0 HA ALA A 141 -4.104 17.900 1.193 1.00 0.00 H new ATOM 0 HB1 ALA A 141 -2.126 19.150 2.088 1.00 0.00 H new ATOM 0 HB2 ALA A 141 -2.573 17.837 3.202 1.00 0.00 H new ATOM 0 HB3 ALA A 141 -1.181 17.643 2.111 1.00 0.00 H new ATOM 1724 N LEU A 142 -1.521 17.080 -0.664 1.00 0.00 N ATOM 1725 CA LEU A 142 -0.928 17.316 -2.019 1.00 0.00 C ATOM 1726 C LEU A 142 -1.723 16.560 -3.089 1.00 0.00 C ATOM 1727 O LEU A 142 -2.047 17.107 -4.129 1.00 0.00 O ATOM 1728 CB LEU A 142 0.505 16.770 -1.929 1.00 0.00 C ATOM 1729 CG LEU A 142 1.478 17.859 -1.438 1.00 0.00 C ATOM 1730 CD1 LEU A 142 1.488 19.037 -2.417 1.00 0.00 C ATOM 1731 CD2 LEU A 142 1.059 18.355 -0.046 1.00 0.00 C ATOM 0 H LEU A 142 -1.058 16.358 -0.112 1.00 0.00 H new ATOM 0 HA LEU A 142 -0.947 18.370 -2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.532 15.919 -1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.822 16.407 -2.907 1.00 0.00 H new ATOM 0 HG LEU A 142 2.478 17.430 -1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.179 19.801 -2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 142 1.806 18.690 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 142 0.486 19.459 -2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 142 1.754 19.124 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 142 0.053 18.771 -0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 142 1.072 17.522 0.656 1.00 0.00 H new