USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=18 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 73 HIS : no HD1:sc= -1.28 K(o=-1.4,f=-2.2!) USER MOD Set 1.2: A 136 MET CE :methyl -147:sc= -0.164 (180deg=0) USER MOD Set 2.1: A 54 SER OG : rot -24:sc= 0.03 USER MOD Set 2.2: A 64 SER OG : rot 28:sc= 1.07 USER MOD Set 3.1: A 45 THR OG1 : rot 129:sc= 0.218 USER MOD Set 3.2: A 47 TYR OH : rot 30:sc= 0.544 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 29 GLN : amide:sc= -4.8 K(o=-4.8,f=-11!) USER MOD Single : A 32 THR OG1 : rot -9:sc= -0.879 USER MOD Single : A 37 ASN : amide:sc= -4.95 K(o=-5,f=-2.8!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -41:sc= 1.1 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -115:sc= 0.0109 USER MOD Single : A 86 HIS : no HD1:sc= -0.984 K(o=-0.98,f=-2!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -162:sc= -3.12! (180deg=-3.78!) USER MOD Single : A 92 ASN : amide:sc= -3.16! C(o=-3.2!,f=-9!) USER MOD Single : A 124 SER OG : rot -52:sc= 0.124 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot -83:sc= 0.68 USER MOD Single : A 132 MET CE :methyl -158:sc= -1.32 (180deg=-2.6!) USER MOD Single : A 134 THR OG1 : rot 82:sc= 0.442 USER MOD Single : A 137 CYS SG : rot 180:sc= 0 USER MOD Single : A 139 CYS SG : rot 180:sc= 0 USER MOD Single : A 140 GLN : amide:sc= -0.37 X(o=-0.37,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 28 11.195 5.957 6.121 1.00 0.00 N ATOM 19 CA GLN A 28 11.133 4.468 6.273 1.00 0.00 C ATOM 20 C GLN A 28 10.635 4.089 7.674 1.00 0.00 C ATOM 21 O GLN A 28 10.701 4.880 8.598 1.00 0.00 O ATOM 22 CB GLN A 28 12.572 3.978 6.052 1.00 0.00 C ATOM 23 CG GLN A 28 13.517 4.623 7.073 1.00 0.00 C ATOM 24 CD GLN A 28 14.942 4.103 6.856 1.00 0.00 C ATOM 25 OE1 GLN A 28 15.134 3.032 6.315 1.00 0.00 O ATOM 26 NE2 GLN A 28 15.953 4.823 7.259 1.00 0.00 N ATOM 0 HA GLN A 28 10.440 4.014 5.565 1.00 0.00 H new ATOM 0 HB2 GLN A 28 12.612 2.893 6.144 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.896 4.224 5.041 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.495 5.708 6.969 1.00 0.00 H new ATOM 0 HG3 GLN A 28 13.186 4.393 8.086 1.00 0.00 H new ATOM 0 HE21 GLN A 28 15.790 5.722 7.713 1.00 0.00 H new ATOM 0 HE22 GLN A 28 16.906 4.487 7.120 1.00 0.00 H new ATOM 35 N GLN A 29 10.140 2.883 7.829 1.00 0.00 N ATOM 36 CA GLN A 29 9.635 2.430 9.166 1.00 0.00 C ATOM 37 C GLN A 29 10.568 1.340 9.732 1.00 0.00 C ATOM 38 O GLN A 29 11.217 0.651 8.969 1.00 0.00 O ATOM 39 CB GLN A 29 8.227 1.859 8.921 1.00 0.00 C ATOM 40 CG GLN A 29 7.331 2.886 8.203 1.00 0.00 C ATOM 41 CD GLN A 29 7.203 4.162 9.040 1.00 0.00 C ATOM 42 OE1 GLN A 29 6.641 4.144 10.116 1.00 0.00 O ATOM 43 NE2 GLN A 29 7.702 5.275 8.580 1.00 0.00 N ATOM 0 H GLN A 29 10.064 2.190 7.084 1.00 0.00 H new ATOM 0 HA GLN A 29 9.607 3.247 9.887 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.298 0.951 8.322 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.774 1.578 9.872 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.752 3.125 7.226 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.344 2.458 8.029 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.174 5.287 7.676 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.621 6.134 9.124 1.00 0.00 H new ATOM 52 N PRO A 30 10.627 1.215 11.050 1.00 0.00 N ATOM 53 CA PRO A 30 11.511 0.199 11.659 1.00 0.00 C ATOM 54 C PRO A 30 10.829 -1.179 11.731 1.00 0.00 C ATOM 55 O PRO A 30 11.099 -2.047 10.920 1.00 0.00 O ATOM 56 CB PRO A 30 11.787 0.762 13.053 1.00 0.00 C ATOM 57 CG PRO A 30 10.630 1.665 13.371 1.00 0.00 C ATOM 58 CD PRO A 30 9.905 1.980 12.083 1.00 0.00 C ATOM 0 HA PRO A 30 12.420 0.030 11.082 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.870 -0.039 13.788 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.728 1.312 13.073 1.00 0.00 H new ATOM 0 HG2 PRO A 30 9.955 1.183 14.078 1.00 0.00 H new ATOM 0 HG3 PRO A 30 10.983 2.582 13.842 1.00 0.00 H new ATOM 0 HD2 PRO A 30 8.857 1.683 12.136 1.00 0.00 H new ATOM 0 HD3 PRO A 30 9.923 3.049 11.869 1.00 0.00 H new ATOM 66 N GLU A 31 9.962 -1.389 12.700 1.00 0.00 N ATOM 67 CA GLU A 31 9.273 -2.708 12.837 1.00 0.00 C ATOM 68 C GLU A 31 7.770 -2.560 12.603 1.00 0.00 C ATOM 69 O GLU A 31 7.116 -1.742 13.228 1.00 0.00 O ATOM 70 CB GLU A 31 9.546 -3.149 14.276 1.00 0.00 C ATOM 71 CG GLU A 31 11.053 -3.328 14.479 1.00 0.00 C ATOM 72 CD GLU A 31 11.330 -3.863 15.888 1.00 0.00 C ATOM 73 OE1 GLU A 31 10.566 -3.543 16.787 1.00 0.00 O ATOM 74 OE2 GLU A 31 12.300 -4.587 16.044 1.00 0.00 O ATOM 0 H GLU A 31 9.704 -0.696 13.403 1.00 0.00 H new ATOM 0 HA GLU A 31 9.634 -3.433 12.107 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.160 -2.406 14.974 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.027 -4.084 14.486 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.450 -4.018 13.734 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.564 -2.376 14.335 1.00 0.00 H new ATOM 81 N THR A 32 7.225 -3.349 11.713 1.00 0.00 N ATOM 82 CA THR A 32 5.762 -3.280 11.424 1.00 0.00 C ATOM 83 C THR A 32 5.332 -4.594 10.759 1.00 0.00 C ATOM 84 O THR A 32 6.133 -5.239 10.102 1.00 0.00 O ATOM 85 CB THR A 32 5.623 -2.062 10.493 1.00 0.00 C ATOM 86 OG1 THR A 32 5.893 -0.882 11.234 1.00 0.00 O ATOM 87 CG2 THR A 32 4.208 -1.973 9.903 1.00 0.00 C ATOM 0 H THR A 32 7.736 -4.044 11.169 1.00 0.00 H new ATOM 0 HA THR A 32 5.128 -3.164 12.303 1.00 0.00 H new ATOM 0 HB THR A 32 6.332 -2.170 9.672 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.969 -1.103 12.186 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.140 -1.103 9.250 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.996 -2.875 9.329 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.482 -1.878 10.711 1.00 0.00 H new ATOM 95 N GLU A 33 4.089 -5.007 10.939 1.00 0.00 N ATOM 96 CA GLU A 33 3.644 -6.298 10.327 1.00 0.00 C ATOM 97 C GLU A 33 2.675 -6.068 9.158 1.00 0.00 C ATOM 98 O GLU A 33 1.887 -5.139 9.160 1.00 0.00 O ATOM 99 CB GLU A 33 2.964 -7.062 11.470 1.00 0.00 C ATOM 100 CG GLU A 33 1.767 -6.266 12.002 1.00 0.00 C ATOM 101 CD GLU A 33 0.862 -7.190 12.818 1.00 0.00 C ATOM 102 OE1 GLU A 33 1.325 -7.706 13.822 1.00 0.00 O ATOM 103 OE2 GLU A 33 -0.280 -7.367 12.425 1.00 0.00 O ATOM 0 H GLU A 33 3.379 -4.509 11.476 1.00 0.00 H new ATOM 0 HA GLU A 33 4.481 -6.852 9.903 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.632 -8.039 11.117 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.678 -7.239 12.274 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.113 -5.439 12.621 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.208 -5.831 11.173 1.00 0.00 H new ATOM 110 N ALA A 34 2.736 -6.927 8.163 1.00 0.00 N ATOM 111 CA ALA A 34 1.836 -6.798 6.982 1.00 0.00 C ATOM 112 C ALA A 34 0.824 -7.943 6.905 1.00 0.00 C ATOM 113 O ALA A 34 1.186 -9.093 6.609 1.00 0.00 O ATOM 114 CB ALA A 34 2.748 -6.835 5.771 1.00 0.00 C ATOM 0 H ALA A 34 3.380 -7.717 8.125 1.00 0.00 H new ATOM 0 HA ALA A 34 1.254 -5.878 7.042 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.151 -6.745 4.863 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.456 -6.008 5.824 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.293 -7.779 5.755 1.00 0.00 H new ATOM 120 N VAL A 35 -0.433 -7.601 7.113 1.00 0.00 N ATOM 121 CA VAL A 35 -1.563 -8.579 7.012 1.00 0.00 C ATOM 122 C VAL A 35 -2.398 -8.175 5.785 1.00 0.00 C ATOM 123 O VAL A 35 -2.767 -7.023 5.643 1.00 0.00 O ATOM 124 CB VAL A 35 -2.366 -8.404 8.310 1.00 0.00 C ATOM 125 CG1 VAL A 35 -3.648 -9.251 8.280 1.00 0.00 C ATOM 126 CG2 VAL A 35 -1.517 -8.815 9.508 1.00 0.00 C ATOM 0 H VAL A 35 -0.725 -6.654 7.356 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.249 -9.617 6.896 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.642 -7.353 8.399 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.199 -9.110 9.210 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.269 -8.941 7.440 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.386 -10.303 8.169 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.094 -8.688 10.424 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.225 -9.860 9.406 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.624 -8.191 9.552 1.00 0.00 H new ATOM 136 N LEU A 36 -2.651 -9.094 4.882 1.00 0.00 N ATOM 137 CA LEU A 36 -3.413 -8.749 3.635 1.00 0.00 C ATOM 138 C LEU A 36 -4.732 -9.537 3.485 1.00 0.00 C ATOM 139 O LEU A 36 -4.759 -10.752 3.492 1.00 0.00 O ATOM 140 CB LEU A 36 -2.454 -9.085 2.477 1.00 0.00 C ATOM 141 CG LEU A 36 -2.359 -7.902 1.503 1.00 0.00 C ATOM 142 CD1 LEU A 36 -1.345 -8.227 0.406 1.00 0.00 C ATOM 143 CD2 LEU A 36 -3.728 -7.640 0.869 1.00 0.00 C ATOM 0 H LEU A 36 -2.363 -10.070 4.954 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.714 -7.702 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.465 -9.320 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.806 -9.972 1.950 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.039 -7.013 2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.277 -7.388 -0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.368 -8.408 0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.666 -9.118 -0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.655 -6.800 0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.054 -8.528 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.452 -7.406 1.650 1.00 0.00 H new ATOM 155 N ASN A 37 -5.825 -8.813 3.292 1.00 0.00 N ATOM 156 CA ASN A 37 -7.223 -9.389 3.059 1.00 0.00 C ATOM 157 C ASN A 37 -7.883 -9.985 4.316 1.00 0.00 C ATOM 158 O ASN A 37 -8.900 -10.636 4.197 1.00 0.00 O ATOM 159 CB ASN A 37 -7.070 -10.493 1.979 1.00 0.00 C ATOM 160 CG ASN A 37 -8.380 -10.695 1.213 1.00 0.00 C ATOM 161 OD1 ASN A 37 -9.399 -11.010 1.791 1.00 0.00 O ATOM 162 ND2 ASN A 37 -8.387 -10.543 -0.083 1.00 0.00 N ATOM 0 H ASN A 37 -5.810 -7.793 3.285 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.881 -8.576 2.752 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.276 -10.219 1.284 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.772 -11.429 2.450 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.249 -10.689 -0.609 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.531 -10.278 -0.570 1.00 0.00 H new ATOM 169 N GLY A 38 -7.402 -9.689 5.505 1.00 0.00 N ATOM 170 CA GLY A 38 -8.079 -10.198 6.749 1.00 0.00 C ATOM 171 C GLY A 38 -7.343 -11.414 7.338 1.00 0.00 C ATOM 172 O GLY A 38 -7.606 -11.802 8.464 1.00 0.00 O ATOM 0 H GLY A 38 -6.572 -9.119 5.668 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.121 -9.402 7.493 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.108 -10.472 6.517 1.00 0.00 H new ATOM 176 N LYS A 39 -6.427 -12.010 6.603 1.00 0.00 N ATOM 177 CA LYS A 39 -5.677 -13.190 7.131 1.00 0.00 C ATOM 178 C LYS A 39 -4.321 -12.724 7.641 1.00 0.00 C ATOM 179 O LYS A 39 -3.791 -11.739 7.159 1.00 0.00 O ATOM 180 CB LYS A 39 -5.513 -14.132 5.939 1.00 0.00 C ATOM 181 CG LYS A 39 -6.750 -15.024 5.823 1.00 0.00 C ATOM 182 CD LYS A 39 -6.563 -16.014 4.674 1.00 0.00 C ATOM 183 CE LYS A 39 -7.840 -16.838 4.495 1.00 0.00 C ATOM 184 NZ LYS A 39 -7.405 -18.076 3.793 1.00 0.00 N ATOM 0 H LYS A 39 -6.170 -11.725 5.658 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.190 -13.685 7.956 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.378 -13.557 5.023 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.620 -14.744 6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.912 -15.562 6.757 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.636 -14.413 5.650 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.331 -15.479 3.753 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.719 -16.672 4.881 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.298 -17.070 5.457 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.582 -16.294 3.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.227 -18.692 3.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.979 -17.825 2.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.704 -18.577 4.375 1.00 0.00 H new ATOM 198 N GLY A 40 -3.762 -13.409 8.615 1.00 0.00 N ATOM 199 CA GLY A 40 -2.448 -12.979 9.169 1.00 0.00 C ATOM 200 C GLY A 40 -1.379 -13.211 8.111 1.00 0.00 C ATOM 201 O GLY A 40 -1.120 -14.323 7.689 1.00 0.00 O ATOM 0 H GLY A 40 -4.162 -14.243 9.044 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.481 -11.926 9.449 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.215 -13.542 10.073 1.00 0.00 H new ATOM 205 N LEU A 41 -0.785 -12.141 7.667 1.00 0.00 N ATOM 206 CA LEU A 41 0.254 -12.212 6.610 1.00 0.00 C ATOM 207 C LEU A 41 1.619 -11.709 7.136 1.00 0.00 C ATOM 208 O LEU A 41 1.734 -11.179 8.223 1.00 0.00 O ATOM 209 CB LEU A 41 -0.281 -11.463 5.381 1.00 0.00 C ATOM 210 CG LEU A 41 0.470 -11.946 4.121 1.00 0.00 C ATOM 211 CD1 LEU A 41 -0.521 -12.155 2.975 1.00 0.00 C ATOM 212 CD2 LEU A 41 1.511 -10.899 3.703 1.00 0.00 C ATOM 0 H LEU A 41 -0.983 -11.198 8.002 1.00 0.00 H new ATOM 0 HA LEU A 41 0.453 -13.241 6.309 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.351 -11.640 5.271 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.147 -10.389 5.509 1.00 0.00 H new ATOM 0 HG LEU A 41 0.970 -12.888 4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.014 -12.496 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.258 -12.904 3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.026 -11.215 2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.038 -11.245 2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.011 -9.956 3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.225 -10.752 4.513 1.00 0.00 H new ATOM 224 N GLY A 42 2.640 -11.971 6.378 1.00 0.00 N ATOM 225 CA GLY A 42 4.067 -11.661 6.727 1.00 0.00 C ATOM 226 C GLY A 42 4.278 -10.394 7.554 1.00 0.00 C ATOM 227 O GLY A 42 3.458 -9.499 7.606 1.00 0.00 O ATOM 0 H GLY A 42 2.542 -12.418 5.467 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.481 -12.506 7.276 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.638 -11.571 5.803 1.00 0.00 H new ATOM 231 N THR A 43 5.436 -10.326 8.174 1.00 0.00 N ATOM 232 CA THR A 43 5.824 -9.146 8.991 1.00 0.00 C ATOM 233 C THR A 43 7.158 -8.617 8.456 1.00 0.00 C ATOM 234 O THR A 43 7.968 -9.394 7.978 1.00 0.00 O ATOM 235 CB THR A 43 5.956 -9.659 10.433 1.00 0.00 C ATOM 236 OG1 THR A 43 6.364 -8.589 11.275 1.00 0.00 O ATOM 237 CG2 THR A 43 6.992 -10.788 10.508 1.00 0.00 C ATOM 0 H THR A 43 6.141 -11.063 8.142 1.00 0.00 H new ATOM 0 HA THR A 43 5.100 -8.332 8.950 1.00 0.00 H new ATOM 0 HB THR A 43 4.991 -10.045 10.761 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.448 -8.912 12.197 1.00 0.00 H new ATOM 0 HG21 THR A 43 7.073 -11.140 11.536 1.00 0.00 H new ATOM 0 HG22 THR A 43 6.680 -11.612 9.866 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.961 -10.416 10.175 1.00 0.00 H new ATOM 245 N GLY A 44 7.383 -7.318 8.492 1.00 0.00 N ATOM 246 CA GLY A 44 8.658 -6.770 7.937 1.00 0.00 C ATOM 247 C GLY A 44 8.783 -5.274 8.179 1.00 0.00 C ATOM 248 O GLY A 44 8.399 -4.750 9.211 1.00 0.00 O ATOM 0 H GLY A 44 6.742 -6.625 8.879 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.504 -7.284 8.394 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.704 -6.970 6.866 1.00 0.00 H new ATOM 252 N THR A 45 9.357 -4.600 7.222 1.00 0.00 N ATOM 253 CA THR A 45 9.570 -3.123 7.348 1.00 0.00 C ATOM 254 C THR A 45 8.849 -2.364 6.232 1.00 0.00 C ATOM 255 O THR A 45 8.754 -2.831 5.111 1.00 0.00 O ATOM 256 CB THR A 45 11.083 -2.931 7.239 1.00 0.00 C ATOM 257 OG1 THR A 45 11.550 -3.512 6.031 1.00 0.00 O ATOM 258 CG2 THR A 45 11.772 -3.602 8.428 1.00 0.00 C ATOM 0 H THR A 45 9.692 -5.009 6.349 1.00 0.00 H new ATOM 0 HA THR A 45 9.171 -2.736 8.286 1.00 0.00 H new ATOM 0 HB THR A 45 11.313 -1.866 7.241 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.094 -2.859 5.543 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.850 -3.464 8.349 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.416 -3.153 9.355 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.541 -4.667 8.428 1.00 0.00 H new ATOM 266 N LEU A 46 8.351 -1.189 6.537 1.00 0.00 N ATOM 267 CA LEU A 46 7.638 -0.370 5.511 1.00 0.00 C ATOM 268 C LEU A 46 8.496 0.831 5.100 1.00 0.00 C ATOM 269 O LEU A 46 8.883 1.634 5.930 1.00 0.00 O ATOM 270 CB LEU A 46 6.360 0.108 6.203 1.00 0.00 C ATOM 271 CG LEU A 46 5.449 0.805 5.189 1.00 0.00 C ATOM 272 CD1 LEU A 46 4.001 0.742 5.680 1.00 0.00 C ATOM 273 CD2 LEU A 46 5.869 2.266 5.024 1.00 0.00 C ATOM 0 H LEU A 46 8.410 -0.761 7.461 1.00 0.00 H new ATOM 0 HA LEU A 46 7.428 -0.940 4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.840 -0.739 6.651 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.609 0.794 7.013 1.00 0.00 H new ATOM 0 HG LEU A 46 5.533 0.300 4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.351 1.238 4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.698 -0.300 5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.922 1.243 6.645 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.215 2.753 4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.793 2.777 5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.899 2.311 4.670 1.00 0.00 H new ATOM 285 N TYR A 47 8.771 0.966 3.826 1.00 0.00 N ATOM 286 CA TYR A 47 9.583 2.126 3.338 1.00 0.00 C ATOM 287 C TYR A 47 8.685 3.042 2.501 1.00 0.00 C ATOM 288 O TYR A 47 7.976 2.579 1.625 1.00 0.00 O ATOM 289 CB TYR A 47 10.707 1.543 2.465 1.00 0.00 C ATOM 290 CG TYR A 47 11.508 0.516 3.238 1.00 0.00 C ATOM 291 CD1 TYR A 47 12.630 0.911 3.980 1.00 0.00 C ATOM 292 CD2 TYR A 47 11.129 -0.832 3.211 1.00 0.00 C ATOM 293 CE1 TYR A 47 13.367 -0.042 4.693 1.00 0.00 C ATOM 294 CE2 TYR A 47 11.866 -1.783 3.921 1.00 0.00 C ATOM 295 CZ TYR A 47 12.986 -1.390 4.662 1.00 0.00 C ATOM 296 OH TYR A 47 13.715 -2.329 5.362 1.00 0.00 O ATOM 0 H TYR A 47 8.467 0.319 3.098 1.00 0.00 H new ATOM 0 HA TYR A 47 9.998 2.707 4.162 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.280 1.083 1.574 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.364 2.344 2.127 1.00 0.00 H new ATOM 0 HD1 TYR A 47 12.925 1.950 4.002 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.265 -1.137 2.640 1.00 0.00 H new ATOM 0 HE1 TYR A 47 14.230 0.262 5.267 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.571 -2.822 3.898 1.00 0.00 H new ATOM 0 HH TYR A 47 14.116 -1.910 6.152 1.00 0.00 H new ATOM 306 N ILE A 48 8.704 4.328 2.767 1.00 0.00 N ATOM 307 CA ILE A 48 7.840 5.276 1.987 1.00 0.00 C ATOM 308 C ILE A 48 8.700 6.110 1.031 1.00 0.00 C ATOM 309 O ILE A 48 9.731 6.638 1.406 1.00 0.00 O ATOM 310 CB ILE A 48 7.158 6.165 3.041 1.00 0.00 C ATOM 311 CG1 ILE A 48 6.323 5.288 3.985 1.00 0.00 C ATOM 312 CG2 ILE A 48 6.237 7.178 2.349 1.00 0.00 C ATOM 313 CD1 ILE A 48 5.745 6.140 5.119 1.00 0.00 C ATOM 0 H ILE A 48 9.279 4.762 3.489 1.00 0.00 H new ATOM 0 HA ILE A 48 7.106 4.756 1.372 1.00 0.00 H new ATOM 0 HB ILE A 48 7.921 6.697 3.609 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.515 4.810 3.431 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.942 4.491 4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.756 7.805 3.100 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.824 7.803 1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.475 6.647 1.779 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.154 5.509 5.783 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.559 6.597 5.682 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.110 6.921 4.700 1.00 0.00 H new ATOM 325 N ALA A 49 8.271 6.226 -0.203 1.00 0.00 N ATOM 326 CA ALA A 49 9.037 7.019 -1.210 1.00 0.00 C ATOM 327 C ALA A 49 8.130 8.074 -1.843 1.00 0.00 C ATOM 328 O ALA A 49 6.946 8.134 -1.559 1.00 0.00 O ATOM 329 CB ALA A 49 9.489 6.001 -2.259 1.00 0.00 C ATOM 0 H ALA A 49 7.414 5.800 -0.557 1.00 0.00 H new ATOM 0 HA ALA A 49 9.882 7.546 -0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.060 6.509 -3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.114 5.244 -1.785 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.615 5.525 -2.704 1.00 0.00 H new ATOM 335 N GLU A 50 8.678 8.903 -2.700 1.00 0.00 N ATOM 336 CA GLU A 50 7.855 9.969 -3.367 1.00 0.00 C ATOM 337 C GLU A 50 6.676 9.346 -4.124 1.00 0.00 C ATOM 338 O GLU A 50 6.838 8.784 -5.189 1.00 0.00 O ATOM 339 CB GLU A 50 8.806 10.670 -4.344 1.00 0.00 C ATOM 340 CG GLU A 50 8.102 11.882 -4.960 1.00 0.00 C ATOM 341 CD GLU A 50 7.858 12.942 -3.881 1.00 0.00 C ATOM 342 OE1 GLU A 50 8.675 13.046 -2.980 1.00 0.00 O ATOM 343 OE2 GLU A 50 6.858 13.633 -3.974 1.00 0.00 O ATOM 0 H GLU A 50 9.662 8.889 -2.968 1.00 0.00 H new ATOM 0 HA GLU A 50 7.433 10.664 -2.641 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.710 10.987 -3.824 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.115 9.978 -5.128 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.711 12.299 -5.762 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.155 11.577 -5.405 1.00 0.00 H new ATOM 350 N SER A 51 5.490 9.439 -3.567 1.00 0.00 N ATOM 351 CA SER A 51 4.270 8.856 -4.222 1.00 0.00 C ATOM 352 C SER A 51 4.474 7.366 -4.546 1.00 0.00 C ATOM 353 O SER A 51 3.864 6.831 -5.453 1.00 0.00 O ATOM 354 CB SER A 51 4.040 9.685 -5.499 1.00 0.00 C ATOM 355 OG SER A 51 4.812 9.162 -6.576 1.00 0.00 O ATOM 0 H SER A 51 5.312 9.900 -2.675 1.00 0.00 H new ATOM 0 HA SER A 51 3.403 8.902 -3.563 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.982 9.674 -5.762 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.312 10.725 -5.319 1.00 0.00 H new ATOM 0 HG SER A 51 5.702 8.913 -6.250 1.00 0.00 H new ATOM 361 N ARG A 52 5.324 6.704 -3.796 1.00 0.00 N ATOM 362 CA ARG A 52 5.579 5.250 -4.029 1.00 0.00 C ATOM 363 C ARG A 52 5.889 4.571 -2.698 1.00 0.00 C ATOM 364 O ARG A 52 6.655 5.089 -1.903 1.00 0.00 O ATOM 365 CB ARG A 52 6.792 5.200 -4.957 1.00 0.00 C ATOM 366 CG ARG A 52 7.049 3.753 -5.384 1.00 0.00 C ATOM 367 CD ARG A 52 8.294 3.693 -6.271 1.00 0.00 C ATOM 368 NE ARG A 52 9.438 3.905 -5.342 1.00 0.00 N ATOM 369 CZ ARG A 52 10.498 3.149 -5.428 1.00 0.00 C ATOM 370 NH1 ARG A 52 10.371 1.861 -5.595 1.00 0.00 N ATOM 371 NH2 ARG A 52 11.687 3.683 -5.347 1.00 0.00 N ATOM 0 H ARG A 52 5.855 7.114 -3.027 1.00 0.00 H new ATOM 0 HA ARG A 52 4.722 4.737 -4.465 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.618 5.824 -5.834 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.669 5.602 -4.449 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.186 3.123 -4.505 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.186 3.364 -5.924 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.371 2.732 -6.779 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.266 4.461 -7.044 1.00 0.00 H new ATOM 0 HE ARG A 52 9.393 4.642 -4.638 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.442 1.444 -5.658 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.200 1.271 -5.662 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.786 4.690 -5.217 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.517 3.093 -5.414 1.00 0.00 H new ATOM 385 N LEU A 53 5.295 3.427 -2.446 1.00 0.00 N ATOM 386 CA LEU A 53 5.548 2.715 -1.156 1.00 0.00 C ATOM 387 C LEU A 53 6.347 1.433 -1.395 1.00 0.00 C ATOM 388 O LEU A 53 6.003 0.626 -2.240 1.00 0.00 O ATOM 389 CB LEU A 53 4.152 2.394 -0.587 1.00 0.00 C ATOM 390 CG LEU A 53 4.080 2.803 0.903 1.00 0.00 C ATOM 391 CD1 LEU A 53 3.204 4.051 1.061 1.00 0.00 C ATOM 392 CD2 LEU A 53 3.480 1.662 1.734 1.00 0.00 C ATOM 0 H LEU A 53 4.647 2.958 -3.079 1.00 0.00 H new ATOM 0 HA LEU A 53 6.135 3.321 -0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.388 2.924 -1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.944 1.329 -0.691 1.00 0.00 H new ATOM 0 HG LEU A 53 5.090 3.017 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.158 4.333 2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.632 4.871 0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.198 3.838 0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.434 1.960 2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.475 1.440 1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.104 0.774 1.637 1.00 0.00 H new ATOM 404 N SER A 54 7.401 1.243 -0.640 1.00 0.00 N ATOM 405 CA SER A 54 8.233 0.013 -0.787 1.00 0.00 C ATOM 406 C SER A 54 8.171 -0.788 0.513 1.00 0.00 C ATOM 407 O SER A 54 8.499 -0.283 1.566 1.00 0.00 O ATOM 408 CB SER A 54 9.651 0.518 -1.044 1.00 0.00 C ATOM 409 OG SER A 54 9.737 1.017 -2.372 1.00 0.00 O ATOM 0 H SER A 54 7.721 1.894 0.077 1.00 0.00 H new ATOM 0 HA SER A 54 7.892 -0.638 -1.592 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.905 1.302 -0.331 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.369 -0.289 -0.899 1.00 0.00 H new ATOM 0 HG SER A 54 9.041 0.602 -2.923 1.00 0.00 H new ATOM 415 N TRP A 55 7.731 -2.021 0.446 1.00 0.00 N ATOM 416 CA TRP A 55 7.623 -2.862 1.679 1.00 0.00 C ATOM 417 C TRP A 55 8.521 -4.095 1.591 1.00 0.00 C ATOM 418 O TRP A 55 8.674 -4.684 0.535 1.00 0.00 O ATOM 419 CB TRP A 55 6.156 -3.281 1.741 1.00 0.00 C ATOM 420 CG TRP A 55 5.682 -3.283 3.159 1.00 0.00 C ATOM 421 CD1 TRP A 55 5.071 -2.245 3.765 1.00 0.00 C ATOM 422 CD2 TRP A 55 5.758 -4.349 4.153 1.00 0.00 C ATOM 423 NE1 TRP A 55 4.749 -2.612 5.062 1.00 0.00 N ATOM 424 CE2 TRP A 55 5.153 -3.891 5.346 1.00 0.00 C ATOM 425 CE3 TRP A 55 6.278 -5.655 4.139 1.00 0.00 C ATOM 426 CZ2 TRP A 55 5.062 -4.693 6.479 1.00 0.00 C ATOM 427 CZ3 TRP A 55 6.185 -6.466 5.280 1.00 0.00 C ATOM 428 CH2 TRP A 55 5.576 -5.983 6.443 1.00 0.00 C ATOM 0 H TRP A 55 7.440 -2.484 -0.415 1.00 0.00 H new ATOM 0 HA TRP A 55 7.940 -2.314 2.566 1.00 0.00 H new ATOM 0 HB2 TRP A 55 5.549 -2.597 1.147 1.00 0.00 H new ATOM 0 HB3 TRP A 55 6.035 -4.274 1.307 1.00 0.00 H new ATOM 0 HD1 TRP A 55 4.866 -1.285 3.314 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.269 -2.004 5.725 1.00 0.00 H new ATOM 0 HE3 TRP A 55 6.751 -6.036 3.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.596 -4.316 7.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 6.586 -7.469 5.260 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.505 -6.615 7.316 1.00 0.00 H new ATOM 439 N LEU A 56 9.093 -4.496 2.699 1.00 0.00 N ATOM 440 CA LEU A 56 9.963 -5.706 2.705 1.00 0.00 C ATOM 441 C LEU A 56 9.309 -6.802 3.548 1.00 0.00 C ATOM 442 O LEU A 56 8.931 -6.576 4.688 1.00 0.00 O ATOM 443 CB LEU A 56 11.296 -5.235 3.312 1.00 0.00 C ATOM 444 CG LEU A 56 12.371 -6.362 3.396 1.00 0.00 C ATOM 445 CD1 LEU A 56 12.066 -7.279 4.572 1.00 0.00 C ATOM 446 CD2 LEU A 56 12.437 -7.213 2.113 1.00 0.00 C ATOM 0 H LEU A 56 8.993 -4.033 3.602 1.00 0.00 H new ATOM 0 HA LEU A 56 10.116 -6.129 1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.689 -4.413 2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.113 -4.843 4.312 1.00 0.00 H new ATOM 0 HG LEU A 56 13.335 -5.870 3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.820 -8.064 4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.077 -6.701 5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.082 -7.729 4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.201 -7.982 2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.470 -7.685 1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.687 -6.575 1.265 1.00 0.00 H new ATOM 458 N ASP A 57 9.190 -7.984 2.989 1.00 0.00 N ATOM 459 CA ASP A 57 8.571 -9.127 3.724 1.00 0.00 C ATOM 460 C ASP A 57 9.603 -9.843 4.599 1.00 0.00 C ATOM 461 O ASP A 57 10.703 -10.161 4.169 1.00 0.00 O ATOM 462 CB ASP A 57 8.041 -10.067 2.643 1.00 0.00 C ATOM 463 CG ASP A 57 6.976 -10.989 3.241 1.00 0.00 C ATOM 464 OD1 ASP A 57 6.247 -10.536 4.109 1.00 0.00 O ATOM 465 OD2 ASP A 57 6.906 -12.133 2.821 1.00 0.00 O ATOM 0 H ASP A 57 9.500 -8.205 2.043 1.00 0.00 H new ATOM 0 HA ASP A 57 7.780 -8.788 4.394 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.617 -9.490 1.821 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.858 -10.659 2.229 1.00 0.00 H new ATOM 470 N GLY A 58 9.225 -10.108 5.826 1.00 0.00 N ATOM 471 CA GLY A 58 10.116 -10.797 6.813 1.00 0.00 C ATOM 472 C GLY A 58 10.620 -12.160 6.312 1.00 0.00 C ATOM 473 O GLY A 58 11.550 -12.708 6.882 1.00 0.00 O ATOM 0 H GLY A 58 8.305 -9.867 6.196 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.971 -10.157 7.032 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.574 -10.937 7.749 1.00 0.00 H new ATOM 477 N SER A 59 10.035 -12.717 5.268 1.00 0.00 N ATOM 478 CA SER A 59 10.504 -14.044 4.756 1.00 0.00 C ATOM 479 C SER A 59 11.674 -13.883 3.765 1.00 0.00 C ATOM 480 O SER A 59 12.003 -14.812 3.047 1.00 0.00 O ATOM 481 CB SER A 59 9.290 -14.645 4.049 1.00 0.00 C ATOM 482 OG SER A 59 8.259 -14.875 5.001 1.00 0.00 O ATOM 0 H SER A 59 9.256 -12.307 4.753 1.00 0.00 H new ATOM 0 HA SER A 59 10.873 -14.676 5.564 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.937 -13.970 3.270 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.565 -15.580 3.560 1.00 0.00 H new ATOM 0 HG SER A 59 7.478 -15.259 4.551 1.00 0.00 H new ATOM 488 N GLY A 60 12.302 -12.720 3.717 1.00 0.00 N ATOM 489 CA GLY A 60 13.439 -12.509 2.777 1.00 0.00 C ATOM 490 C GLY A 60 12.932 -12.126 1.396 1.00 0.00 C ATOM 491 O GLY A 60 13.611 -12.331 0.403 1.00 0.00 O ATOM 0 H GLY A 60 12.067 -11.913 4.294 1.00 0.00 H new ATOM 0 HA2 GLY A 60 14.093 -11.725 3.160 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.036 -13.418 2.711 1.00 0.00 H new ATOM 495 N LEU A 61 11.748 -11.572 1.325 1.00 0.00 N ATOM 496 CA LEU A 61 11.183 -11.165 0.006 1.00 0.00 C ATOM 497 C LEU A 61 10.806 -9.695 0.076 1.00 0.00 C ATOM 498 O LEU A 61 10.027 -9.300 0.919 1.00 0.00 O ATOM 499 CB LEU A 61 9.930 -12.035 -0.205 1.00 0.00 C ATOM 500 CG LEU A 61 10.264 -13.535 -0.076 1.00 0.00 C ATOM 501 CD1 LEU A 61 8.990 -14.354 -0.309 1.00 0.00 C ATOM 502 CD2 LEU A 61 11.337 -13.934 -1.106 1.00 0.00 C ATOM 0 H LEU A 61 11.147 -11.384 2.128 1.00 0.00 H new ATOM 0 HA LEU A 61 11.889 -11.299 -0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.169 -11.765 0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.508 -11.837 -1.191 1.00 0.00 H new ATOM 0 HG LEU A 61 10.652 -13.733 0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.219 -15.416 -0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.241 -14.080 0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.603 -14.149 -1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.563 -14.995 -1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 61 10.967 -13.737 -2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.242 -13.352 -0.933 1.00 0.00 H new ATOM 514 N GLY A 62 11.353 -8.890 -0.795 1.00 0.00 N ATOM 515 CA GLY A 62 11.032 -7.437 -0.778 1.00 0.00 C ATOM 516 C GLY A 62 10.087 -7.118 -1.920 1.00 0.00 C ATOM 517 O GLY A 62 10.259 -7.618 -3.010 1.00 0.00 O ATOM 0 H GLY A 62 12.010 -9.179 -1.519 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.575 -7.165 0.174 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.946 -6.850 -0.872 1.00 0.00 H new ATOM 521 N PHE A 63 9.099 -6.285 -1.683 1.00 0.00 N ATOM 522 CA PHE A 63 8.149 -5.922 -2.790 1.00 0.00 C ATOM 523 C PHE A 63 7.619 -4.492 -2.605 1.00 0.00 C ATOM 524 O PHE A 63 7.392 -4.049 -1.494 1.00 0.00 O ATOM 525 CB PHE A 63 7.039 -7.009 -2.783 1.00 0.00 C ATOM 526 CG PHE A 63 5.998 -6.801 -1.695 1.00 0.00 C ATOM 527 CD1 PHE A 63 6.375 -6.767 -0.348 1.00 0.00 C ATOM 528 CD2 PHE A 63 4.650 -6.655 -2.048 1.00 0.00 C ATOM 529 CE1 PHE A 63 5.402 -6.588 0.644 1.00 0.00 C ATOM 530 CE2 PHE A 63 3.679 -6.474 -1.059 1.00 0.00 C ATOM 531 CZ PHE A 63 4.051 -6.441 0.288 1.00 0.00 C ATOM 0 H PHE A 63 8.909 -5.845 -0.783 1.00 0.00 H new ATOM 0 HA PHE A 63 8.634 -5.910 -3.766 1.00 0.00 H new ATOM 0 HB2 PHE A 63 6.543 -7.018 -3.754 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.500 -7.988 -2.652 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.414 -6.878 -0.074 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.360 -6.682 -3.088 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.691 -6.563 1.684 1.00 0.00 H new ATOM 0 HE2 PHE A 63 2.641 -6.360 -1.336 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.302 -6.303 1.053 1.00 0.00 H new ATOM 541 N SER A 64 7.443 -3.776 -3.691 1.00 0.00 N ATOM 542 CA SER A 64 6.954 -2.371 -3.593 1.00 0.00 C ATOM 543 C SER A 64 5.546 -2.223 -4.171 1.00 0.00 C ATOM 544 O SER A 64 5.187 -2.872 -5.136 1.00 0.00 O ATOM 545 CB SER A 64 7.955 -1.548 -4.400 1.00 0.00 C ATOM 546 OG SER A 64 7.516 -0.198 -4.455 1.00 0.00 O ATOM 0 H SER A 64 7.618 -4.108 -4.640 1.00 0.00 H new ATOM 0 HA SER A 64 6.887 -2.044 -2.555 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.942 -1.603 -3.941 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.048 -1.954 -5.407 1.00 0.00 H new ATOM 0 HG SER A 64 6.983 0.005 -3.658 1.00 0.00 H new ATOM 552 N LEU A 65 4.756 -1.360 -3.578 1.00 0.00 N ATOM 553 CA LEU A 65 3.364 -1.133 -4.071 1.00 0.00 C ATOM 554 C LEU A 65 3.194 0.329 -4.493 1.00 0.00 C ATOM 555 O LEU A 65 3.697 1.234 -3.846 1.00 0.00 O ATOM 556 CB LEU A 65 2.457 -1.456 -2.878 1.00 0.00 C ATOM 557 CG LEU A 65 2.654 -2.916 -2.456 1.00 0.00 C ATOM 558 CD1 LEU A 65 1.836 -3.196 -1.193 1.00 0.00 C ATOM 559 CD2 LEU A 65 2.182 -3.843 -3.580 1.00 0.00 C ATOM 0 H LEU A 65 5.020 -0.800 -2.767 1.00 0.00 H new ATOM 0 HA LEU A 65 3.126 -1.750 -4.938 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.687 -0.793 -2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.414 -1.283 -3.145 1.00 0.00 H new ATOM 0 HG LEU A 65 3.710 -3.095 -2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.975 -4.234 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.169 -2.538 -0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.780 -3.016 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.323 -4.881 -3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.126 -3.663 -3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.761 -3.645 -4.482 1.00 0.00 H new ATOM 654 N SER A 71 -8.693 1.734 0.184 1.00 0.00 N ATOM 655 CA SER A 71 -10.134 2.126 0.266 1.00 0.00 C ATOM 656 C SER A 71 -10.384 2.923 1.552 1.00 0.00 C ATOM 657 O SER A 71 -10.461 4.139 1.519 1.00 0.00 O ATOM 658 CB SER A 71 -10.907 0.809 0.271 1.00 0.00 C ATOM 659 OG SER A 71 -12.261 1.060 0.627 1.00 0.00 O ATOM 0 HA SER A 71 -10.444 2.763 -0.563 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.858 0.342 -0.713 1.00 0.00 H new ATOM 0 HB3 SER A 71 -10.456 0.112 0.978 1.00 0.00 H new ATOM 0 HG SER A 71 -12.459 0.630 1.485 1.00 0.00 H new ATOM 665 N LEU A 72 -10.495 2.252 2.683 1.00 0.00 N ATOM 666 CA LEU A 72 -10.722 2.977 3.968 1.00 0.00 C ATOM 667 C LEU A 72 -9.583 2.656 4.933 1.00 0.00 C ATOM 668 O LEU A 72 -9.463 1.538 5.380 1.00 0.00 O ATOM 669 CB LEU A 72 -12.060 2.440 4.495 1.00 0.00 C ATOM 670 CG LEU A 72 -12.401 3.093 5.841 1.00 0.00 C ATOM 671 CD1 LEU A 72 -13.917 3.099 6.036 1.00 0.00 C ATOM 672 CD2 LEU A 72 -11.747 2.295 6.974 1.00 0.00 C ATOM 0 H LEU A 72 -10.437 1.237 2.764 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.749 4.060 3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.851 2.643 3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.005 1.358 4.611 1.00 0.00 H new ATOM 0 HG LEU A 72 -12.028 4.117 5.852 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -14.159 3.563 6.992 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.385 3.664 5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.289 2.075 6.025 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.988 2.758 7.931 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.121 1.271 6.961 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.666 2.288 6.837 1.00 0.00 H new ATOM 684 N HIS A 73 -8.750 3.624 5.245 1.00 0.00 N ATOM 685 CA HIS A 73 -7.599 3.376 6.166 1.00 0.00 C ATOM 686 C HIS A 73 -7.860 3.984 7.548 1.00 0.00 C ATOM 687 O HIS A 73 -8.074 5.170 7.697 1.00 0.00 O ATOM 688 CB HIS A 73 -6.389 4.049 5.491 1.00 0.00 C ATOM 689 CG HIS A 73 -6.636 5.527 5.300 1.00 0.00 C ATOM 690 ND1 HIS A 73 -7.233 6.037 4.158 1.00 0.00 N ATOM 691 CD2 HIS A 73 -6.369 6.613 6.100 1.00 0.00 C ATOM 692 CE1 HIS A 73 -7.302 7.373 4.298 1.00 0.00 C ATOM 693 NE2 HIS A 73 -6.790 7.776 5.463 1.00 0.00 N ATOM 0 H HIS A 73 -8.822 4.580 4.897 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.434 2.311 6.328 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.498 3.900 6.100 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.197 3.580 4.526 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -5.904 6.570 7.074 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -7.721 8.039 3.558 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -6.722 8.732 5.812 1.00 0.00 H new ATOM 701 N ALA A 74 -7.851 3.144 8.557 1.00 0.00 N ATOM 702 CA ALA A 74 -8.100 3.614 9.951 1.00 0.00 C ATOM 703 C ALA A 74 -6.841 3.449 10.808 1.00 0.00 C ATOM 704 O ALA A 74 -6.175 2.422 10.773 1.00 0.00 O ATOM 705 CB ALA A 74 -9.224 2.720 10.471 1.00 0.00 C ATOM 0 H ALA A 74 -7.679 2.142 8.469 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.365 4.671 9.987 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.468 3.001 11.495 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.106 2.840 9.841 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.901 1.679 10.448 1.00 0.00 H new ATOM 711 N VAL A 75 -6.520 4.460 11.577 1.00 0.00 N ATOM 712 CA VAL A 75 -5.312 4.403 12.458 1.00 0.00 C ATOM 713 C VAL A 75 -5.422 5.441 13.588 1.00 0.00 C ATOM 714 O VAL A 75 -5.078 5.158 14.723 1.00 0.00 O ATOM 715 CB VAL A 75 -4.119 4.710 11.535 1.00 0.00 C ATOM 716 CG1 VAL A 75 -4.295 6.087 10.884 1.00 0.00 C ATOM 717 CG2 VAL A 75 -2.811 4.685 12.344 1.00 0.00 C ATOM 0 H VAL A 75 -7.048 5.331 11.633 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.201 3.432 12.941 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.075 3.950 10.755 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.445 6.293 10.233 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.213 6.097 10.296 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.352 6.851 11.659 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.971 4.903 11.684 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.857 5.435 13.133 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.677 3.699 12.788 1.00 0.00 H new ATOM 876 N GLU A 85 0.653 1.195 18.130 1.00 0.00 N ATOM 877 CA GLU A 85 0.086 1.919 16.949 1.00 0.00 C ATOM 878 C GLU A 85 -0.492 0.901 15.966 1.00 0.00 C ATOM 879 O GLU A 85 -0.211 -0.283 16.069 1.00 0.00 O ATOM 880 CB GLU A 85 1.270 2.666 16.330 1.00 0.00 C ATOM 881 CG GLU A 85 1.838 3.661 17.348 1.00 0.00 C ATOM 882 CD GLU A 85 2.881 2.964 18.228 1.00 0.00 C ATOM 883 OE1 GLU A 85 3.550 2.072 17.732 1.00 0.00 O ATOM 884 OE2 GLU A 85 2.990 3.335 19.386 1.00 0.00 O ATOM 0 HA GLU A 85 -0.717 2.605 17.217 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.042 1.958 16.028 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.951 3.193 15.431 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.292 4.506 16.830 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.035 4.060 17.967 1.00 0.00 H new ATOM 891 N HIS A 86 -1.305 1.341 15.028 1.00 0.00 N ATOM 892 CA HIS A 86 -1.912 0.378 14.050 1.00 0.00 C ATOM 893 C HIS A 86 -2.584 1.101 12.876 1.00 0.00 C ATOM 894 O HIS A 86 -3.411 1.972 13.085 1.00 0.00 O ATOM 895 CB HIS A 86 -2.971 -0.385 14.873 1.00 0.00 C ATOM 896 CG HIS A 86 -4.000 0.565 15.450 1.00 0.00 C ATOM 897 ND1 HIS A 86 -3.717 1.399 16.519 1.00 0.00 N ATOM 898 CD2 HIS A 86 -5.306 0.816 15.112 1.00 0.00 C ATOM 899 CE1 HIS A 86 -4.829 2.108 16.784 1.00 0.00 C ATOM 900 NE2 HIS A 86 -5.828 1.792 15.957 1.00 0.00 N ATOM 0 H HIS A 86 -1.572 2.317 14.899 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.156 -0.272 13.609 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.466 -1.122 14.241 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.484 -0.933 15.680 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.846 0.331 14.313 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -4.904 2.844 17.571 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -6.771 2.182 15.946 1.00 0.00 H new ATOM 908 N LEU A 87 -2.283 0.702 11.648 1.00 0.00 N ATOM 909 CA LEU A 87 -2.965 1.335 10.478 1.00 0.00 C ATOM 910 C LEU A 87 -3.460 0.226 9.561 1.00 0.00 C ATOM 911 O LEU A 87 -2.725 -0.262 8.723 1.00 0.00 O ATOM 912 CB LEU A 87 -1.864 2.146 9.784 1.00 0.00 C ATOM 913 CG LEU A 87 -2.454 3.000 8.655 1.00 0.00 C ATOM 914 CD1 LEU A 87 -1.486 4.135 8.326 1.00 0.00 C ATOM 915 CD2 LEU A 87 -2.656 2.141 7.404 1.00 0.00 C ATOM 0 H LEU A 87 -1.604 -0.024 11.418 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.816 1.960 10.751 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.365 2.788 10.510 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.108 1.472 9.381 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.413 3.406 8.976 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.900 4.746 7.524 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.335 4.753 9.211 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.531 3.718 8.008 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.075 2.754 6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.697 1.734 7.083 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.340 1.323 7.631 1.00 0.00 H new ATOM 927 N TYR A 88 -4.718 -0.131 9.663 1.00 0.00 N ATOM 928 CA TYR A 88 -5.257 -1.193 8.752 1.00 0.00 C ATOM 929 C TYR A 88 -6.230 -0.575 7.793 1.00 0.00 C ATOM 930 O TYR A 88 -7.053 0.233 8.201 1.00 0.00 O ATOM 931 CB TYR A 88 -5.913 -2.294 9.603 1.00 0.00 C ATOM 932 CG TYR A 88 -7.080 -1.772 10.402 1.00 0.00 C ATOM 933 CD1 TYR A 88 -6.828 -1.143 11.605 1.00 0.00 C ATOM 934 CD2 TYR A 88 -8.400 -1.948 9.961 1.00 0.00 C ATOM 935 CE1 TYR A 88 -7.867 -0.668 12.393 1.00 0.00 C ATOM 936 CE2 TYR A 88 -9.460 -1.469 10.744 1.00 0.00 C ATOM 937 CZ TYR A 88 -9.193 -0.826 11.964 1.00 0.00 C ATOM 938 OH TYR A 88 -10.230 -0.355 12.743 1.00 0.00 O ATOM 0 H TYR A 88 -5.387 0.259 10.327 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.456 -1.646 8.169 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.251 -3.101 8.953 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -5.172 -2.719 10.280 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.808 -1.019 11.937 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.598 -2.449 9.025 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -7.655 -0.179 13.332 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -10.479 -1.594 10.410 1.00 0.00 H new ATOM 0 HH TYR A 88 -11.084 -0.544 12.300 1.00 0.00 H new ATOM 948 N VAL A 89 -6.149 -0.915 6.520 1.00 0.00 N ATOM 949 CA VAL A 89 -7.093 -0.294 5.542 1.00 0.00 C ATOM 950 C VAL A 89 -8.033 -1.345 4.952 1.00 0.00 C ATOM 951 O VAL A 89 -7.608 -2.348 4.404 1.00 0.00 O ATOM 952 CB VAL A 89 -6.268 0.486 4.466 1.00 0.00 C ATOM 953 CG1 VAL A 89 -5.134 1.297 5.162 1.00 0.00 C ATOM 954 CG2 VAL A 89 -5.604 -0.475 3.476 1.00 0.00 C ATOM 0 H VAL A 89 -5.483 -1.581 6.129 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.741 0.426 6.042 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.957 1.144 3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.561 1.840 4.410 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.572 2.005 5.865 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.475 0.614 5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.037 0.095 2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.931 -1.143 4.013 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -6.370 -1.062 2.969 1.00 0.00 H new ATOM 964 N MET A 90 -9.304 -1.133 5.124 1.00 0.00 N ATOM 965 CA MET A 90 -10.318 -2.121 4.655 1.00 0.00 C ATOM 966 C MET A 90 -10.777 -1.807 3.230 1.00 0.00 C ATOM 967 O MET A 90 -11.182 -0.698 2.932 1.00 0.00 O ATOM 968 CB MET A 90 -11.454 -1.980 5.675 1.00 0.00 C ATOM 969 CG MET A 90 -10.937 -2.389 7.069 1.00 0.00 C ATOM 970 SD MET A 90 -12.324 -2.475 8.230 1.00 0.00 S ATOM 971 CE MET A 90 -12.858 -0.754 8.075 1.00 0.00 C ATOM 0 H MET A 90 -9.692 -0.305 5.576 1.00 0.00 H new ATOM 0 HA MET A 90 -9.935 -3.140 4.604 1.00 0.00 H new ATOM 0 HB2 MET A 90 -11.815 -0.952 5.695 1.00 0.00 H new ATOM 0 HB3 MET A 90 -12.297 -2.608 5.388 1.00 0.00 H new ATOM 0 HG2 MET A 90 -10.436 -3.355 7.013 1.00 0.00 H new ATOM 0 HG3 MET A 90 -10.199 -1.668 7.421 1.00 0.00 H new ATOM 0 HE1 MET A 90 -13.489 -0.491 8.924 1.00 0.00 H new ATOM 0 HE2 MET A 90 -11.985 -0.102 8.057 1.00 0.00 H new ATOM 0 HE3 MET A 90 -13.423 -0.630 7.151 1.00 0.00 H new ATOM 981 N VAL A 91 -10.695 -2.779 2.342 1.00 0.00 N ATOM 982 CA VAL A 91 -11.104 -2.547 0.920 1.00 0.00 C ATOM 983 C VAL A 91 -12.134 -3.596 0.473 1.00 0.00 C ATOM 984 O VAL A 91 -12.020 -4.771 0.785 1.00 0.00 O ATOM 985 CB VAL A 91 -9.808 -2.681 0.097 1.00 0.00 C ATOM 986 CG1 VAL A 91 -10.104 -2.428 -1.385 1.00 0.00 C ATOM 987 CG2 VAL A 91 -8.767 -1.659 0.573 1.00 0.00 C ATOM 0 H VAL A 91 -10.362 -3.721 2.545 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.572 -1.571 0.789 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.417 -3.690 0.232 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.184 -2.524 -1.961 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.833 -3.157 -1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.506 -1.423 -1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.857 -1.765 -0.017 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.164 -0.651 0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.540 -1.834 1.625 1.00 0.00 H new ATOM 997 N ASN A 92 -13.125 -3.171 -0.272 1.00 0.00 N ATOM 998 CA ASN A 92 -14.167 -4.118 -0.773 1.00 0.00 C ATOM 999 C ASN A 92 -13.952 -4.367 -2.268 1.00 0.00 C ATOM 1000 O ASN A 92 -13.954 -3.443 -3.063 1.00 0.00 O ATOM 1001 CB ASN A 92 -15.499 -3.409 -0.529 1.00 0.00 C ATOM 1002 CG ASN A 92 -15.690 -3.173 0.972 1.00 0.00 C ATOM 1003 OD1 ASN A 92 -15.114 -3.864 1.789 1.00 0.00 O ATOM 1004 ND2 ASN A 92 -16.480 -2.215 1.372 1.00 0.00 N ATOM 0 H ASN A 92 -13.257 -2.200 -0.556 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.132 -5.086 -0.274 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.519 -2.458 -1.062 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.319 -4.011 -0.920 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.613 -2.047 2.369 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.964 -1.634 0.688 1.00 0.00 H new ATOM 1011 N ALA A 93 -13.764 -5.608 -2.653 1.00 0.00 N ATOM 1012 CA ALA A 93 -13.537 -5.934 -4.095 1.00 0.00 C ATOM 1013 C ALA A 93 -14.745 -6.676 -4.674 1.00 0.00 C ATOM 1014 O ALA A 93 -15.416 -7.418 -3.979 1.00 0.00 O ATOM 1015 CB ALA A 93 -12.300 -6.831 -4.107 1.00 0.00 C ATOM 0 H ALA A 93 -13.758 -6.412 -2.025 1.00 0.00 H new ATOM 0 HA ALA A 93 -13.400 -5.039 -4.701 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -12.067 -7.115 -5.133 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -11.455 -6.292 -3.679 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -12.495 -7.727 -3.518 1.00 0.00 H new ATOM 1320 N PRO A 115 -17.694 -10.683 -1.681 1.00 0.00 N ATOM 1321 CA PRO A 115 -16.234 -10.867 -1.478 1.00 0.00 C ATOM 1322 C PRO A 115 -15.572 -9.551 -1.059 1.00 0.00 C ATOM 1323 O PRO A 115 -15.607 -8.572 -1.779 1.00 0.00 O ATOM 1324 CB PRO A 115 -15.729 -11.315 -2.846 1.00 0.00 C ATOM 1325 CG PRO A 115 -16.723 -10.779 -3.824 1.00 0.00 C ATOM 1326 CD PRO A 115 -18.050 -10.706 -3.116 1.00 0.00 C ATOM 0 HA PRO A 115 -16.006 -11.583 -0.689 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -14.731 -10.925 -3.045 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -15.664 -12.401 -2.906 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -16.421 -9.793 -4.178 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -16.789 -11.426 -4.699 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -18.606 -9.813 -3.403 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -18.678 -11.564 -3.357 1.00 0.00 H new ATOM 1334 N ILE A 116 -14.962 -9.534 0.102 1.00 0.00 N ATOM 1335 CA ILE A 116 -14.280 -8.294 0.591 1.00 0.00 C ATOM 1336 C ILE A 116 -12.875 -8.650 1.091 1.00 0.00 C ATOM 1337 O ILE A 116 -12.671 -9.700 1.676 1.00 0.00 O ATOM 1338 CB ILE A 116 -15.154 -7.777 1.743 1.00 0.00 C ATOM 1339 CG1 ILE A 116 -16.558 -7.464 1.219 1.00 0.00 C ATOM 1340 CG2 ILE A 116 -14.543 -6.500 2.330 1.00 0.00 C ATOM 1341 CD1 ILE A 116 -17.486 -7.155 2.394 1.00 0.00 C ATOM 0 H ILE A 116 -14.907 -10.331 0.736 1.00 0.00 H new ATOM 0 HA ILE A 116 -14.167 -7.541 -0.189 1.00 0.00 H new ATOM 0 HB ILE A 116 -15.209 -8.542 2.517 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -16.522 -6.614 0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -16.943 -8.311 0.651 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -15.169 -6.139 3.147 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -13.543 -6.715 2.707 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -14.482 -5.736 1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -18.485 -6.932 2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -17.531 -8.018 3.058 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -17.104 -6.294 2.943 1.00 0.00 H new ATOM 1353 N ALA A 117 -11.911 -7.786 0.863 1.00 0.00 N ATOM 1354 CA ALA A 117 -10.520 -8.064 1.321 1.00 0.00 C ATOM 1355 C ALA A 117 -10.076 -6.987 2.302 1.00 0.00 C ATOM 1356 O ALA A 117 -10.100 -5.806 1.980 1.00 0.00 O ATOM 1357 CB ALA A 117 -9.673 -8.010 0.050 1.00 0.00 C ATOM 0 H ALA A 117 -12.034 -6.898 0.377 1.00 0.00 H new ATOM 0 HA ALA A 117 -10.430 -9.023 1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -8.630 -8.205 0.299 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -10.025 -8.764 -0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -9.759 -7.022 -0.403 1.00 0.00 H new ATOM 1363 N GLU A 118 -9.665 -7.378 3.493 1.00 0.00 N ATOM 1364 CA GLU A 118 -9.214 -6.351 4.484 1.00 0.00 C ATOM 1365 C GLU A 118 -7.691 -6.286 4.521 1.00 0.00 C ATOM 1366 O GLU A 118 -7.039 -7.220 4.935 1.00 0.00 O ATOM 1367 CB GLU A 118 -9.762 -6.793 5.845 1.00 0.00 C ATOM 1368 CG GLU A 118 -11.291 -6.889 5.798 1.00 0.00 C ATOM 1369 CD GLU A 118 -11.896 -5.511 5.501 1.00 0.00 C ATOM 1370 OE1 GLU A 118 -12.077 -5.205 4.334 1.00 0.00 O ATOM 1371 OE2 GLU A 118 -12.168 -4.792 6.446 1.00 0.00 O ATOM 0 H GLU A 118 -9.624 -8.346 3.813 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.576 -5.358 4.217 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.339 -7.759 6.119 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.459 -6.083 6.614 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -11.595 -7.601 5.031 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.669 -7.264 6.749 1.00 0.00 H new ATOM 1378 N PHE A 119 -7.127 -5.175 4.124 1.00 0.00 N ATOM 1379 CA PHE A 119 -5.646 -5.032 4.172 1.00 0.00 C ATOM 1380 C PHE A 119 -5.329 -4.420 5.521 1.00 0.00 C ATOM 1381 O PHE A 119 -5.867 -3.385 5.851 1.00 0.00 O ATOM 1382 CB PHE A 119 -5.320 -4.071 3.013 1.00 0.00 C ATOM 1383 CG PHE A 119 -3.866 -3.615 3.028 1.00 0.00 C ATOM 1384 CD1 PHE A 119 -3.401 -2.722 4.009 1.00 0.00 C ATOM 1385 CD2 PHE A 119 -2.992 -4.046 2.020 1.00 0.00 C ATOM 1386 CE1 PHE A 119 -2.083 -2.273 3.986 1.00 0.00 C ATOM 1387 CE2 PHE A 119 -1.662 -3.596 2.005 1.00 0.00 C ATOM 1388 CZ PHE A 119 -1.213 -2.707 2.989 1.00 0.00 C ATOM 0 H PHE A 119 -7.630 -4.362 3.769 1.00 0.00 H new ATOM 0 HA PHE A 119 -5.077 -5.956 4.067 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.533 -4.564 2.065 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.972 -3.199 3.073 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.070 -2.382 4.786 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -3.342 -4.724 1.255 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -1.735 -1.586 4.743 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -0.986 -3.936 1.235 1.00 0.00 H new ATOM 0 HZ PHE A 119 -0.191 -2.358 2.975 1.00 0.00 H new ATOM 1398 N ARG A 120 -4.472 -5.040 6.299 1.00 0.00 N ATOM 1399 CA ARG A 120 -4.134 -4.459 7.631 1.00 0.00 C ATOM 1400 C ARG A 120 -2.624 -4.392 7.781 1.00 0.00 C ATOM 1401 O ARG A 120 -1.953 -5.402 7.716 1.00 0.00 O ATOM 1402 CB ARG A 120 -4.761 -5.413 8.662 1.00 0.00 C ATOM 1403 CG ARG A 120 -6.279 -5.517 8.435 1.00 0.00 C ATOM 1404 CD ARG A 120 -7.011 -5.504 9.782 1.00 0.00 C ATOM 1405 NE ARG A 120 -6.628 -6.784 10.440 1.00 0.00 N ATOM 1406 CZ ARG A 120 -7.522 -7.476 11.089 1.00 0.00 C ATOM 1407 NH1 ARG A 120 -8.673 -7.742 10.534 1.00 0.00 N ATOM 1408 NH2 ARG A 120 -7.265 -7.907 12.295 1.00 0.00 N ATOM 0 H ARG A 120 -3.998 -5.914 6.069 1.00 0.00 H new ATOM 0 HA ARG A 120 -4.512 -3.445 7.761 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -4.305 -6.400 8.580 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -4.561 -5.052 9.671 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -6.621 -4.686 7.818 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -6.512 -6.434 7.893 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -6.714 -4.646 10.385 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -8.090 -5.438 9.644 1.00 0.00 H new ATOM 0 HE ARG A 120 -5.666 -7.119 10.383 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -8.874 -7.408 9.591 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -9.372 -8.284 11.043 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -6.365 -7.702 12.729 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -7.964 -8.448 12.803 1.00 0.00 H new ATOM 1422 N PHE A 121 -2.069 -3.213 7.972 1.00 0.00 N ATOM 1423 CA PHE A 121 -0.592 -3.090 8.131 1.00 0.00 C ATOM 1424 C PHE A 121 -0.364 -2.406 9.466 1.00 0.00 C ATOM 1425 O PHE A 121 -0.725 -1.255 9.658 1.00 0.00 O ATOM 1426 CB PHE A 121 -0.092 -2.278 6.924 1.00 0.00 C ATOM 1427 CG PHE A 121 0.418 -3.222 5.826 1.00 0.00 C ATOM 1428 CD1 PHE A 121 -0.369 -4.297 5.367 1.00 0.00 C ATOM 1429 CD2 PHE A 121 1.687 -3.032 5.270 1.00 0.00 C ATOM 1430 CE1 PHE A 121 0.101 -5.156 4.378 1.00 0.00 C ATOM 1431 CE2 PHE A 121 2.152 -3.902 4.267 1.00 0.00 C ATOM 1432 CZ PHE A 121 1.355 -4.963 3.827 1.00 0.00 C ATOM 0 H PHE A 121 -2.583 -2.333 8.024 1.00 0.00 H new ATOM 0 HA PHE A 121 -0.049 -4.035 8.143 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -0.899 -1.657 6.534 1.00 0.00 H new ATOM 0 HB3 PHE A 121 0.707 -1.605 7.235 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -1.350 -4.457 5.789 1.00 0.00 H new ATOM 0 HD2 PHE A 121 2.310 -2.218 5.610 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -0.515 -5.976 4.040 1.00 0.00 H new ATOM 0 HE2 PHE A 121 3.130 -3.749 3.835 1.00 0.00 H new ATOM 0 HZ PHE A 121 1.717 -5.630 3.059 1.00 0.00 H new ATOM 1442 N VAL A 122 0.141 -3.138 10.428 1.00 0.00 N ATOM 1443 CA VAL A 122 0.256 -2.549 11.803 1.00 0.00 C ATOM 1444 C VAL A 122 1.714 -2.321 12.267 1.00 0.00 C ATOM 1445 O VAL A 122 2.473 -3.264 12.350 1.00 0.00 O ATOM 1446 CB VAL A 122 -0.504 -3.533 12.728 1.00 0.00 C ATOM 1447 CG1 VAL A 122 -0.714 -2.858 14.063 1.00 0.00 C ATOM 1448 CG2 VAL A 122 -1.896 -3.918 12.166 1.00 0.00 C ATOM 0 H VAL A 122 0.473 -4.097 10.328 1.00 0.00 H new ATOM 0 HA VAL A 122 -0.172 -1.547 11.825 1.00 0.00 H new ATOM 0 HB VAL A 122 0.092 -4.442 12.811 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -1.248 -3.533 14.732 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.253 -2.605 14.499 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.298 -1.949 13.923 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -2.387 -4.609 12.852 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.505 -3.021 12.057 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.776 -4.396 11.194 1.00 0.00 H new ATOM 1458 N PRO A 123 2.077 -1.074 12.561 1.00 0.00 N ATOM 1459 CA PRO A 123 3.452 -0.779 13.012 1.00 0.00 C ATOM 1460 C PRO A 123 3.542 -0.827 14.541 1.00 0.00 C ATOM 1461 O PRO A 123 2.666 -0.339 15.235 1.00 0.00 O ATOM 1462 CB PRO A 123 3.684 0.639 12.507 1.00 0.00 C ATOM 1463 CG PRO A 123 2.321 1.261 12.383 1.00 0.00 C ATOM 1464 CD PRO A 123 1.287 0.163 12.502 1.00 0.00 C ATOM 0 HA PRO A 123 4.187 -1.494 12.643 1.00 0.00 H new ATOM 0 HB2 PRO A 123 4.309 1.203 13.200 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.199 0.632 11.546 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.172 2.009 13.162 1.00 0.00 H new ATOM 0 HG3 PRO A 123 2.223 1.773 11.426 1.00 0.00 H new ATOM 0 HD2 PRO A 123 0.675 0.288 13.396 1.00 0.00 H new ATOM 0 HD3 PRO A 123 0.608 0.161 11.649 1.00 0.00 H new ATOM 1472 N SER A 124 4.598 -1.405 15.064 1.00 0.00 N ATOM 1473 CA SER A 124 4.767 -1.485 16.548 1.00 0.00 C ATOM 1474 C SER A 124 5.681 -0.357 17.048 1.00 0.00 C ATOM 1475 O SER A 124 6.327 -0.487 18.074 1.00 0.00 O ATOM 1476 CB SER A 124 5.414 -2.848 16.797 1.00 0.00 C ATOM 1477 OG SER A 124 5.257 -3.196 18.166 1.00 0.00 O ATOM 0 H SER A 124 5.353 -1.826 14.523 1.00 0.00 H new ATOM 0 HA SER A 124 3.819 -1.377 17.075 1.00 0.00 H new ATOM 0 HB2 SER A 124 4.953 -3.604 16.162 1.00 0.00 H new ATOM 0 HB3 SER A 124 6.472 -2.815 16.537 1.00 0.00 H new ATOM 0 HG SER A 124 5.576 -2.460 18.729 1.00 0.00 H new ATOM 1483 N ASP A 125 5.741 0.742 16.329 1.00 0.00 N ATOM 1484 CA ASP A 125 6.615 1.884 16.752 1.00 0.00 C ATOM 1485 C ASP A 125 5.841 3.201 16.705 1.00 0.00 C ATOM 1486 O ASP A 125 5.310 3.582 15.679 1.00 0.00 O ATOM 1487 CB ASP A 125 7.777 1.895 15.747 1.00 0.00 C ATOM 1488 CG ASP A 125 9.110 2.050 16.486 1.00 0.00 C ATOM 1489 OD1 ASP A 125 9.249 3.013 17.219 1.00 0.00 O ATOM 1490 OD2 ASP A 125 9.969 1.201 16.305 1.00 0.00 O ATOM 0 H ASP A 125 5.221 0.896 15.465 1.00 0.00 H new ATOM 0 HA ASP A 125 6.968 1.771 17.777 1.00 0.00 H new ATOM 0 HB2 ASP A 125 7.778 0.970 15.170 1.00 0.00 H new ATOM 0 HB3 ASP A 125 7.648 2.713 15.038 1.00 0.00 H new ATOM 1495 N LYS A 126 5.791 3.911 17.816 1.00 0.00 N ATOM 1496 CA LYS A 126 5.069 5.230 17.849 1.00 0.00 C ATOM 1497 C LYS A 126 5.717 6.176 16.841 1.00 0.00 C ATOM 1498 O LYS A 126 5.049 6.940 16.165 1.00 0.00 O ATOM 1499 CB LYS A 126 5.241 5.761 19.274 1.00 0.00 C ATOM 1500 CG LYS A 126 4.481 7.080 19.419 1.00 0.00 C ATOM 1501 CD LYS A 126 4.599 7.584 20.858 1.00 0.00 C ATOM 1502 CE LYS A 126 3.695 8.804 21.050 1.00 0.00 C ATOM 1503 NZ LYS A 126 3.470 8.890 22.519 1.00 0.00 N ATOM 0 H LYS A 126 6.219 3.633 18.699 1.00 0.00 H new ATOM 0 HA LYS A 126 4.014 5.137 17.591 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.867 5.032 19.993 1.00 0.00 H new ATOM 0 HB3 LYS A 126 6.298 5.912 19.493 1.00 0.00 H new ATOM 0 HG2 LYS A 126 4.884 7.821 18.729 1.00 0.00 H new ATOM 0 HG3 LYS A 126 3.432 6.938 19.157 1.00 0.00 H new ATOM 0 HD2 LYS A 126 4.315 6.795 21.555 1.00 0.00 H new ATOM 0 HD3 LYS A 126 5.634 7.847 21.078 1.00 0.00 H new ATOM 0 HE2 LYS A 126 4.168 9.709 20.670 1.00 0.00 H new ATOM 0 HE3 LYS A 126 2.754 8.686 20.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 2.858 9.704 22.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 3.012 8.017 22.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 4.382 9.009 23.004 1.00 0.00 H new ATOM 1517 N SER A 127 7.020 6.091 16.723 1.00 0.00 N ATOM 1518 CA SER A 127 7.746 6.942 15.740 1.00 0.00 C ATOM 1519 C SER A 127 7.351 6.513 14.328 1.00 0.00 C ATOM 1520 O SER A 127 7.335 7.321 13.415 1.00 0.00 O ATOM 1521 CB SER A 127 9.236 6.689 15.984 1.00 0.00 C ATOM 1522 OG SER A 127 9.554 5.355 15.608 1.00 0.00 O ATOM 0 H SER A 127 7.611 5.465 17.270 1.00 0.00 H new ATOM 0 HA SER A 127 7.510 8.000 15.849 1.00 0.00 H new ATOM 0 HB2 SER A 127 9.835 7.394 15.408 1.00 0.00 H new ATOM 0 HB3 SER A 127 9.477 6.850 17.035 1.00 0.00 H new ATOM 0 HG SER A 127 9.338 4.747 16.345 1.00 0.00 H new ATOM 1528 N ALA A 128 7.021 5.245 14.147 1.00 0.00 N ATOM 1529 CA ALA A 128 6.613 4.770 12.785 1.00 0.00 C ATOM 1530 C ALA A 128 5.210 5.279 12.453 1.00 0.00 C ATOM 1531 O ALA A 128 4.914 5.602 11.317 1.00 0.00 O ATOM 1532 CB ALA A 128 6.621 3.243 12.857 1.00 0.00 C ATOM 0 H ALA A 128 7.018 4.532 14.877 1.00 0.00 H new ATOM 0 HA ALA A 128 7.285 5.137 12.009 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.331 2.832 11.890 1.00 0.00 H new ATOM 0 HB2 ALA A 128 7.622 2.896 13.113 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.916 2.911 13.619 1.00 0.00 H new ATOM 1538 N LEU A 129 4.347 5.348 13.442 1.00 0.00 N ATOM 1539 CA LEU A 129 2.951 5.836 13.197 1.00 0.00 C ATOM 1540 C LEU A 129 2.963 7.329 12.863 1.00 0.00 C ATOM 1541 O LEU A 129 2.311 7.759 11.926 1.00 0.00 O ATOM 1542 CB LEU A 129 2.191 5.577 14.500 1.00 0.00 C ATOM 1543 CG LEU A 129 0.688 5.750 14.261 1.00 0.00 C ATOM 1544 CD1 LEU A 129 0.155 4.568 13.438 1.00 0.00 C ATOM 1545 CD2 LEU A 129 -0.034 5.807 15.610 1.00 0.00 C ATOM 0 H LEU A 129 4.550 5.087 14.407 1.00 0.00 H new ATOM 0 HA LEU A 129 2.483 5.327 12.354 1.00 0.00 H new ATOM 0 HB2 LEU A 129 2.399 4.569 14.860 1.00 0.00 H new ATOM 0 HB3 LEU A 129 2.528 6.267 15.273 1.00 0.00 H new ATOM 0 HG LEU A 129 0.510 6.675 13.713 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.915 4.695 13.270 1.00 0.00 H new ATOM 0 HD12 LEU A 129 0.671 4.531 12.479 1.00 0.00 H new ATOM 0 HD13 LEU A 129 0.330 3.639 13.980 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.104 5.930 15.445 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.145 4.882 16.158 1.00 0.00 H new ATOM 0 HD23 LEU A 129 0.343 6.650 16.189 1.00 0.00 H new ATOM 1557 N GLU A 130 3.700 8.123 13.617 1.00 0.00 N ATOM 1558 CA GLU A 130 3.753 9.591 13.331 1.00 0.00 C ATOM 1559 C GLU A 130 4.430 9.831 11.976 1.00 0.00 C ATOM 1560 O GLU A 130 4.027 10.698 11.216 1.00 0.00 O ATOM 1561 CB GLU A 130 4.547 10.218 14.488 1.00 0.00 C ATOM 1562 CG GLU A 130 5.983 9.686 14.528 1.00 0.00 C ATOM 1563 CD GLU A 130 6.748 10.389 15.653 1.00 0.00 C ATOM 1564 OE1 GLU A 130 7.338 11.423 15.385 1.00 0.00 O ATOM 1565 OE2 GLU A 130 6.721 9.890 16.766 1.00 0.00 O ATOM 0 H GLU A 130 4.261 7.815 14.411 1.00 0.00 H new ATOM 0 HA GLU A 130 2.761 10.039 13.266 1.00 0.00 H new ATOM 0 HB2 GLU A 130 4.561 11.302 14.377 1.00 0.00 H new ATOM 0 HB3 GLU A 130 4.050 10.001 15.433 1.00 0.00 H new ATOM 0 HG2 GLU A 130 5.980 8.608 14.692 1.00 0.00 H new ATOM 0 HG3 GLU A 130 6.476 9.862 13.572 1.00 0.00 H new ATOM 1572 N ALA A 131 5.439 9.048 11.663 1.00 0.00 N ATOM 1573 CA ALA A 131 6.135 9.200 10.347 1.00 0.00 C ATOM 1574 C ALA A 131 5.157 8.839 9.230 1.00 0.00 C ATOM 1575 O ALA A 131 5.133 9.462 8.185 1.00 0.00 O ATOM 1576 CB ALA A 131 7.311 8.221 10.378 1.00 0.00 C ATOM 0 H ALA A 131 5.809 8.311 12.264 1.00 0.00 H new ATOM 0 HA ALA A 131 6.485 10.217 10.172 1.00 0.00 H new ATOM 0 HB1 ALA A 131 7.862 8.284 9.440 1.00 0.00 H new ATOM 0 HB2 ALA A 131 7.973 8.474 11.206 1.00 0.00 H new ATOM 0 HB3 ALA A 131 6.936 7.206 10.511 1.00 0.00 H new ATOM 1582 N MET A 132 4.339 7.839 9.465 1.00 0.00 N ATOM 1583 CA MET A 132 3.329 7.425 8.440 1.00 0.00 C ATOM 1584 C MET A 132 2.307 8.546 8.255 1.00 0.00 C ATOM 1585 O MET A 132 1.836 8.792 7.162 1.00 0.00 O ATOM 1586 CB MET A 132 2.654 6.170 9.003 1.00 0.00 C ATOM 1587 CG MET A 132 3.579 4.965 8.820 1.00 0.00 C ATOM 1588 SD MET A 132 3.594 4.474 7.077 1.00 0.00 S ATOM 1589 CE MET A 132 1.864 3.955 6.974 1.00 0.00 C ATOM 0 H MET A 132 4.328 7.291 10.325 1.00 0.00 H new ATOM 0 HA MET A 132 3.782 7.226 7.469 1.00 0.00 H new ATOM 0 HB2 MET A 132 2.427 6.310 10.060 1.00 0.00 H new ATOM 0 HB3 MET A 132 1.706 5.995 8.494 1.00 0.00 H new ATOM 0 HG2 MET A 132 4.588 5.215 9.147 1.00 0.00 H new ATOM 0 HG3 MET A 132 3.239 4.135 9.440 1.00 0.00 H new ATOM 0 HE1 MET A 132 1.740 3.267 6.138 1.00 0.00 H new ATOM 0 HE2 MET A 132 1.578 3.456 7.900 1.00 0.00 H new ATOM 0 HE3 MET A 132 1.230 4.829 6.823 1.00 0.00 H new ATOM 1599 N PHE A 133 1.968 9.227 9.326 1.00 0.00 N ATOM 1600 CA PHE A 133 0.976 10.347 9.236 1.00 0.00 C ATOM 1601 C PHE A 133 1.559 11.481 8.430 1.00 0.00 C ATOM 1602 O PHE A 133 0.872 12.090 7.631 1.00 0.00 O ATOM 1603 CB PHE A 133 0.682 10.757 10.697 1.00 0.00 C ATOM 1604 CG PHE A 133 -0.360 9.829 11.357 1.00 0.00 C ATOM 1605 CD1 PHE A 133 -0.703 8.572 10.801 1.00 0.00 C ATOM 1606 CD2 PHE A 133 -0.974 10.244 12.546 1.00 0.00 C ATOM 1607 CE1 PHE A 133 -1.647 7.757 11.431 1.00 0.00 C ATOM 1608 CE2 PHE A 133 -1.921 9.422 13.174 1.00 0.00 C ATOM 1609 CZ PHE A 133 -2.257 8.182 12.619 1.00 0.00 C ATOM 0 H PHE A 133 2.337 9.054 10.261 1.00 0.00 H new ATOM 0 HA PHE A 133 0.055 10.057 8.730 1.00 0.00 H new ATOM 0 HB2 PHE A 133 1.607 10.733 11.274 1.00 0.00 H new ATOM 0 HB3 PHE A 133 0.319 11.785 10.720 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -0.233 8.242 9.886 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -0.717 11.199 12.980 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -1.906 6.800 11.003 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -2.393 9.747 14.089 1.00 0.00 H new ATOM 0 HZ PHE A 133 -2.987 7.552 13.106 1.00 0.00 H new ATOM 1619 N THR A 134 2.831 11.742 8.603 1.00 0.00 N ATOM 1620 CA THR A 134 3.482 12.812 7.798 1.00 0.00 C ATOM 1621 C THR A 134 3.520 12.347 6.341 1.00 0.00 C ATOM 1622 O THR A 134 3.365 13.132 5.424 1.00 0.00 O ATOM 1623 CB THR A 134 4.897 12.964 8.366 1.00 0.00 C ATOM 1624 OG1 THR A 134 4.821 13.169 9.770 1.00 0.00 O ATOM 1625 CG2 THR A 134 5.586 14.160 7.709 1.00 0.00 C ATOM 0 H THR A 134 3.441 11.261 9.264 1.00 0.00 H new ATOM 0 HA THR A 134 2.955 13.765 7.840 1.00 0.00 H new ATOM 0 HB THR A 134 5.471 12.061 8.161 1.00 0.00 H new ATOM 0 HG1 THR A 134 4.714 12.306 10.221 1.00 0.00 H new ATOM 0 HG21 THR A 134 6.592 14.267 8.114 1.00 0.00 H new ATOM 0 HG22 THR A 134 5.643 14.001 6.632 1.00 0.00 H new ATOM 0 HG23 THR A 134 5.015 15.066 7.912 1.00 0.00 H new ATOM 1633 N ALA A 135 3.698 11.056 6.134 1.00 0.00 N ATOM 1634 CA ALA A 135 3.716 10.510 4.739 1.00 0.00 C ATOM 1635 C ALA A 135 2.312 10.573 4.136 1.00 0.00 C ATOM 1636 O ALA A 135 2.119 11.013 3.015 1.00 0.00 O ATOM 1637 CB ALA A 135 4.178 9.058 4.874 1.00 0.00 C ATOM 0 H ALA A 135 3.831 10.363 6.871 1.00 0.00 H new ATOM 0 HA ALA A 135 4.375 11.080 4.084 1.00 0.00 H new ATOM 0 HB1 ALA A 135 4.215 8.595 3.888 1.00 0.00 H new ATOM 0 HB2 ALA A 135 5.170 9.032 5.324 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.479 8.511 5.506 1.00 0.00 H new ATOM 1643 N MET A 136 1.332 10.131 4.887 1.00 0.00 N ATOM 1644 CA MET A 136 -0.081 10.146 4.392 1.00 0.00 C ATOM 1645 C MET A 136 -0.603 11.577 4.332 1.00 0.00 C ATOM 1646 O MET A 136 -1.201 11.983 3.352 1.00 0.00 O ATOM 1647 CB MET A 136 -0.884 9.325 5.408 1.00 0.00 C ATOM 1648 CG MET A 136 -2.305 9.113 4.885 1.00 0.00 C ATOM 1649 SD MET A 136 -2.282 7.880 3.561 1.00 0.00 S ATOM 1650 CE MET A 136 -3.306 6.638 4.388 1.00 0.00 C ATOM 0 H MET A 136 1.451 9.758 5.829 1.00 0.00 H new ATOM 0 HA MET A 136 -0.163 9.732 3.387 1.00 0.00 H new ATOM 0 HB2 MET A 136 -0.400 8.363 5.577 1.00 0.00 H new ATOM 0 HB3 MET A 136 -0.912 9.841 6.368 1.00 0.00 H new ATOM 0 HG2 MET A 136 -2.956 8.782 5.694 1.00 0.00 H new ATOM 0 HG3 MET A 136 -2.712 10.054 4.514 1.00 0.00 H new ATOM 0 HE1 MET A 136 -2.980 5.641 4.091 1.00 0.00 H new ATOM 0 HE2 MET A 136 -3.207 6.745 5.468 1.00 0.00 H new ATOM 0 HE3 MET A 136 -4.349 6.778 4.104 1.00 0.00 H new ATOM 1660 N CYS A 137 -0.384 12.341 5.378 1.00 0.00 N ATOM 1661 CA CYS A 137 -0.872 13.762 5.395 1.00 0.00 C ATOM 1662 C CYS A 137 -0.251 14.553 4.240 1.00 0.00 C ATOM 1663 O CYS A 137 -0.933 15.295 3.555 1.00 0.00 O ATOM 1664 CB CYS A 137 -0.423 14.338 6.741 1.00 0.00 C ATOM 1665 SG CYS A 137 -1.197 15.955 6.992 1.00 0.00 S ATOM 0 H CYS A 137 0.110 12.044 6.219 1.00 0.00 H new ATOM 0 HA CYS A 137 -1.954 13.818 5.275 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -0.700 13.661 7.549 1.00 0.00 H new ATOM 0 HB3 CYS A 137 0.662 14.435 6.764 1.00 0.00 H new ATOM 0 HG CYS A 137 -0.818 16.445 8.135 1.00 0.00 H new ATOM 1671 N GLU A 138 1.035 14.392 4.018 1.00 0.00 N ATOM 1672 CA GLU A 138 1.710 15.128 2.903 1.00 0.00 C ATOM 1673 C GLU A 138 1.221 14.600 1.560 1.00 0.00 C ATOM 1674 O GLU A 138 1.069 15.340 0.605 1.00 0.00 O ATOM 1675 CB GLU A 138 3.208 14.868 3.074 1.00 0.00 C ATOM 1676 CG GLU A 138 3.745 15.710 4.235 1.00 0.00 C ATOM 1677 CD GLU A 138 5.269 15.584 4.302 1.00 0.00 C ATOM 1678 OE1 GLU A 138 5.882 15.445 3.256 1.00 0.00 O ATOM 1679 OE2 GLU A 138 5.799 15.629 5.400 1.00 0.00 O ATOM 0 H GLU A 138 1.644 13.782 4.563 1.00 0.00 H new ATOM 0 HA GLU A 138 1.491 16.195 2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 138 3.384 13.810 3.267 1.00 0.00 H new ATOM 0 HB3 GLU A 138 3.738 15.117 2.155 1.00 0.00 H new ATOM 0 HG2 GLU A 138 3.462 16.754 4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.301 15.378 5.174 1.00 0.00 H new ATOM 1686 N CYS A 139 0.968 13.325 1.498 1.00 0.00 N ATOM 1687 CA CYS A 139 0.474 12.703 0.229 1.00 0.00 C ATOM 1688 C CYS A 139 -0.966 13.145 -0.042 1.00 0.00 C ATOM 1689 O CYS A 139 -1.316 13.503 -1.155 1.00 0.00 O ATOM 1690 CB CYS A 139 0.534 11.190 0.464 1.00 0.00 C ATOM 1691 SG CYS A 139 0.267 10.327 -1.103 1.00 0.00 S ATOM 0 H CYS A 139 1.082 12.676 2.277 1.00 0.00 H new ATOM 0 HA CYS A 139 1.072 12.999 -0.633 1.00 0.00 H new ATOM 0 HB2 CYS A 139 1.502 10.914 0.883 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -0.224 10.893 1.189 1.00 0.00 H new ATOM 0 HG CYS A 139 0.320 9.043 -0.906 1.00 0.00 H new ATOM 1697 N GLN A 140 -1.799 13.125 0.974 1.00 0.00 N ATOM 1698 CA GLN A 140 -3.226 13.546 0.795 1.00 0.00 C ATOM 1699 C GLN A 140 -3.295 15.035 0.466 1.00 0.00 C ATOM 1700 O GLN A 140 -4.099 15.461 -0.343 1.00 0.00 O ATOM 1701 CB GLN A 140 -3.912 13.265 2.136 1.00 0.00 C ATOM 1702 CG GLN A 140 -4.593 11.898 2.082 1.00 0.00 C ATOM 1703 CD GLN A 140 -5.442 11.700 3.328 1.00 0.00 C ATOM 1704 OE1 GLN A 140 -6.289 12.509 3.644 1.00 0.00 O ATOM 1705 NE2 GLN A 140 -5.242 10.640 4.050 1.00 0.00 N ATOM 0 H GLN A 140 -1.551 12.835 1.920 1.00 0.00 H new ATOM 0 HA GLN A 140 -3.708 13.010 -0.022 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -3.180 13.287 2.943 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -4.647 14.041 2.351 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -5.216 11.826 1.190 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -3.843 11.110 2.012 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -4.528 9.965 3.777 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -5.799 10.482 4.890 1.00 0.00 H new ATOM 1714 N ALA A 141 -2.450 15.824 1.090 1.00 0.00 N ATOM 1715 CA ALA A 141 -2.453 17.296 0.824 1.00 0.00 C ATOM 1716 C ALA A 141 -1.917 17.570 -0.584 1.00 0.00 C ATOM 1717 O ALA A 141 -2.420 18.423 -1.293 1.00 0.00 O ATOM 1718 CB ALA A 141 -1.534 17.912 1.881 1.00 0.00 C ATOM 0 H ALA A 141 -1.759 15.510 1.772 1.00 0.00 H new ATOM 0 HA ALA A 141 -3.456 17.720 0.878 1.00 0.00 H new ATOM 0 HB1 ALA A 141 -1.492 18.992 1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 141 -1.922 17.689 2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 141 -0.532 17.494 1.780 1.00 0.00 H new ATOM 1724 N LEU A 142 -0.899 16.843 -0.988 1.00 0.00 N ATOM 1725 CA LEU A 142 -0.317 17.044 -2.355 1.00 0.00 C ATOM 1726 C LEU A 142 -1.343 16.641 -3.418 1.00 0.00 C ATOM 1727 O LEU A 142 -1.415 17.240 -4.477 1.00 0.00 O ATOM 1728 CB LEU A 142 0.918 16.127 -2.419 1.00 0.00 C ATOM 1729 CG LEU A 142 2.213 16.943 -2.250 1.00 0.00 C ATOM 1730 CD1 LEU A 142 2.332 17.986 -3.368 1.00 0.00 C ATOM 1731 CD2 LEU A 142 2.219 17.651 -0.888 1.00 0.00 C ATOM 0 H LEU A 142 -0.447 16.119 -0.429 1.00 0.00 H new ATOM 0 HA LEU A 142 -0.049 18.084 -2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.855 15.370 -1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.936 15.600 -3.373 1.00 0.00 H new ATOM 0 HG LEU A 142 3.061 16.260 -2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 142 3.252 18.556 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 142 2.352 17.483 -4.335 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.477 18.661 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 142 3.140 18.225 -0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.363 18.323 -0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 142 2.159 16.909 -0.092 1.00 0.00 H new