USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 807 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 23 CYS SG : rot -141:sc= 0.216 USER MOD Set 1.2: A 26 CYS SG : rot 141:sc= -0.457 USER MOD Set 2.1: A 11 GLN : amide:sc= 1 K(o=2.2,f=-3.8) USER MOD Set 2.2: A 14 LYS NZ :NH3+ -147:sc= 1.17 (180deg=0) USER MOD Set 3.1: A 7 ASN : amide:sc= 0.565 X(o=1.1,f=0.79) USER MOD Set 3.2: A 60 TYR OH : rot 180:sc= 0.516 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0261 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0.015) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0.741 K(o=0.74,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.436 K(o=-0.44,f=-1.4) USER MOD Single : A 49 THR OG1 : rot -37:sc= 1.15 USER MOD Single : A 53 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.1!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0258 X(o=-0.026,f=0) USER MOD Single : A 58 GLN : amide:sc= 0.844 K(o=0.84,f=-0.0095) USER MOD Single : A 62 GLN : amide:sc= 0.74 K(o=0.74,f=-8.1!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot -49:sc= 1.68 USER MOD Single : A 69 THR OG1 : rot 30:sc= 0.142 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 20:sc= 0.763 USER MOD Single : A 83 CYS SG : rot 180:sc= -0.696 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.234 K(o=-0.23,f=-1) USER MOD Single : A 91 GLN : amide:sc= 0.0218 X(o=0.022,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0253 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD ----------------------------------------------------------------- ATOM 45 N PHE A 5 -0.323 9.943 -10.603 1.00 0.00 N ATOM 46 CA PHE A 5 0.796 9.378 -9.838 1.00 0.00 C ATOM 47 C PHE A 5 0.376 8.110 -9.078 1.00 0.00 C ATOM 48 O PHE A 5 1.033 7.075 -9.142 1.00 0.00 O ATOM 49 CB PHE A 5 1.346 10.445 -8.877 1.00 0.00 C ATOM 50 CG PHE A 5 2.538 9.981 -8.058 1.00 0.00 C ATOM 51 CD1 PHE A 5 2.347 9.358 -6.808 1.00 0.00 C ATOM 52 CD2 PHE A 5 3.843 10.155 -8.553 1.00 0.00 C ATOM 53 CE1 PHE A 5 3.451 8.921 -6.055 1.00 0.00 C ATOM 54 CE2 PHE A 5 4.946 9.707 -7.805 1.00 0.00 C ATOM 55 CZ PHE A 5 4.753 9.097 -6.553 1.00 0.00 C ATOM 0 HA PHE A 5 1.583 9.084 -10.533 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.634 11.325 -9.453 1.00 0.00 H new ATOM 0 HB3 PHE A 5 0.550 10.754 -8.199 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.347 9.216 -6.426 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.998 10.633 -9.509 1.00 0.00 H new ATOM 0 HE1 PHE A 5 3.298 8.451 -5.095 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.946 9.832 -8.194 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.603 8.765 -5.976 1.00 0.00 H new ATOM 65 N VAL A 6 -0.751 8.183 -8.367 1.00 0.00 N ATOM 66 CA VAL A 6 -1.336 7.034 -7.691 1.00 0.00 C ATOM 67 C VAL A 6 -1.952 6.070 -8.725 1.00 0.00 C ATOM 68 O VAL A 6 -1.705 4.863 -8.673 1.00 0.00 O ATOM 69 CB VAL A 6 -2.305 7.555 -6.600 1.00 0.00 C ATOM 70 CG1 VAL A 6 -3.347 6.529 -6.149 1.00 0.00 C ATOM 71 CG2 VAL A 6 -1.520 8.030 -5.356 1.00 0.00 C ATOM 0 H VAL A 6 -1.282 9.046 -8.246 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.588 6.433 -7.174 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.840 8.382 -7.067 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.986 6.971 -5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.956 6.230 -7.002 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.842 5.654 -5.739 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.218 8.392 -4.601 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.945 7.198 -4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.842 8.835 -5.639 1.00 0.00 H new ATOM 81 N ASN A 7 -2.759 6.572 -9.668 1.00 0.00 N ATOM 82 CA ASN A 7 -3.592 5.717 -10.520 1.00 0.00 C ATOM 83 C ASN A 7 -2.784 4.915 -11.543 1.00 0.00 C ATOM 84 O ASN A 7 -3.197 3.828 -11.931 1.00 0.00 O ATOM 85 CB ASN A 7 -4.637 6.540 -11.291 1.00 0.00 C ATOM 86 CG ASN A 7 -5.654 7.224 -10.392 1.00 0.00 C ATOM 87 OD1 ASN A 7 -6.150 6.629 -9.437 1.00 0.00 O ATOM 88 ND2 ASN A 7 -5.976 8.476 -10.654 1.00 0.00 N ATOM 0 H ASN A 7 -2.852 7.569 -9.860 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.077 5.024 -9.833 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.125 7.295 -11.887 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.161 5.886 -11.987 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.646 8.965 -10.060 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.555 8.955 -11.450 1.00 0.00 H new ATOM 95 N CYS A 8 -1.667 5.441 -12.041 1.00 0.00 N ATOM 96 CA CYS A 8 -0.785 4.759 -12.981 1.00 0.00 C ATOM 97 C CYS A 8 0.105 3.752 -12.257 1.00 0.00 C ATOM 98 O CYS A 8 0.672 2.873 -12.901 1.00 0.00 O ATOM 99 CB CYS A 8 0.084 5.782 -13.737 1.00 0.00 C ATOM 100 SG CYS A 8 -0.115 5.562 -15.523 1.00 0.00 S ATOM 0 H CYS A 8 -1.344 6.377 -11.795 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.404 4.220 -13.698 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.202 6.795 -13.453 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.131 5.657 -13.461 1.00 0.00 H new ATOM 0 HG CYS A 8 0.620 6.431 -16.152 1.00 0.00 H new ATOM 106 N LYS A 9 0.258 3.865 -10.933 1.00 0.00 N ATOM 107 CA LYS A 9 0.953 2.855 -10.154 1.00 0.00 C ATOM 108 C LYS A 9 0.049 1.651 -9.965 1.00 0.00 C ATOM 109 O LYS A 9 0.447 0.555 -10.363 1.00 0.00 O ATOM 110 CB LYS A 9 1.466 3.435 -8.829 1.00 0.00 C ATOM 111 CG LYS A 9 2.807 4.159 -9.020 1.00 0.00 C ATOM 112 CD LYS A 9 3.965 3.165 -9.218 1.00 0.00 C ATOM 113 CE LYS A 9 5.331 3.826 -9.034 1.00 0.00 C ATOM 114 NZ LYS A 9 5.678 4.754 -10.123 1.00 0.00 N ATOM 0 H LYS A 9 -0.094 4.650 -10.385 1.00 0.00 H new ATOM 0 HA LYS A 9 1.838 2.520 -10.694 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.730 4.129 -8.424 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.583 2.633 -8.100 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.744 4.821 -9.883 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.009 4.786 -8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.862 2.344 -8.509 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.904 2.733 -10.217 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.341 4.367 -8.088 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.096 3.052 -8.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.614 5.169 -9.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.698 4.238 -11.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.967 5.512 -10.173 1.00 0.00 H new ATOM 128 N ILE A 10 -1.122 1.797 -9.344 1.00 0.00 N ATOM 129 CA ILE A 10 -1.914 0.619 -9.016 1.00 0.00 C ATOM 130 C ILE A 10 -2.507 0.044 -10.306 1.00 0.00 C ATOM 131 O ILE A 10 -2.938 0.789 -11.181 1.00 0.00 O ATOM 132 CB ILE A 10 -3.031 0.923 -7.999 1.00 0.00 C ATOM 133 CG1 ILE A 10 -2.710 1.958 -6.895 1.00 0.00 C ATOM 134 CG2 ILE A 10 -3.440 -0.386 -7.306 1.00 0.00 C ATOM 135 CD1 ILE A 10 -3.872 2.947 -6.775 1.00 0.00 C ATOM 0 H ILE A 10 -1.530 2.690 -9.067 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.256 -0.111 -8.544 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.822 1.374 -8.598 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.548 1.453 -5.943 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.789 2.489 -7.135 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.231 -0.184 -6.583 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.802 -1.094 -8.051 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.578 -0.810 -6.791 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.649 3.678 -5.998 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.013 3.460 -7.726 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.783 2.408 -6.516 1.00 0.00 H new ATOM 147 N GLN A 11 -2.608 -1.281 -10.364 1.00 0.00 N ATOM 148 CA GLN A 11 -3.325 -2.063 -11.364 1.00 0.00 C ATOM 149 C GLN A 11 -4.049 -3.189 -10.604 1.00 0.00 C ATOM 150 O GLN A 11 -3.619 -3.522 -9.490 1.00 0.00 O ATOM 151 CB GLN A 11 -2.329 -2.576 -12.428 1.00 0.00 C ATOM 152 CG GLN A 11 -1.138 -3.376 -11.861 1.00 0.00 C ATOM 153 CD GLN A 11 -0.001 -3.631 -12.855 1.00 0.00 C ATOM 154 OE1 GLN A 11 1.165 -3.370 -12.563 1.00 0.00 O ATOM 155 NE2 GLN A 11 -0.263 -4.123 -14.050 1.00 0.00 N ATOM 0 H GLN A 11 -2.161 -1.876 -9.666 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.065 -1.477 -11.909 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.867 -3.205 -13.137 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.944 -1.723 -12.987 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.736 -2.841 -11.001 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.504 -4.336 -11.496 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.224 -4.346 -14.310 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.495 -4.281 -14.714 1.00 0.00 H new ATOM 164 N PRO A 12 -5.132 -3.791 -11.133 1.00 0.00 N ATOM 165 CA PRO A 12 -5.854 -4.876 -10.474 1.00 0.00 C ATOM 166 C PRO A 12 -5.090 -6.204 -10.618 1.00 0.00 C ATOM 167 O PRO A 12 -5.531 -7.138 -11.289 1.00 0.00 O ATOM 168 CB PRO A 12 -7.245 -4.871 -11.110 1.00 0.00 C ATOM 169 CG PRO A 12 -6.972 -4.411 -12.541 1.00 0.00 C ATOM 170 CD PRO A 12 -5.802 -3.436 -12.378 1.00 0.00 C ATOM 0 HA PRO A 12 -5.945 -4.745 -9.396 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.703 -5.860 -11.085 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.923 -4.193 -10.591 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.712 -5.247 -13.190 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.843 -3.925 -12.981 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.116 -3.510 -13.222 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.158 -2.406 -12.346 1.00 0.00 H new ATOM 178 N GLY A 13 -3.923 -6.277 -9.982 1.00 0.00 N ATOM 179 CA GLY A 13 -2.997 -7.398 -10.016 1.00 0.00 C ATOM 180 C GLY A 13 -1.577 -6.955 -9.651 1.00 0.00 C ATOM 181 O GLY A 13 -0.613 -7.387 -10.272 1.00 0.00 O ATOM 0 H GLY A 13 -3.583 -5.512 -9.399 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.330 -8.169 -9.321 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.997 -7.843 -11.011 1.00 0.00 H new ATOM 185 N LYS A 14 -1.435 -6.067 -8.663 1.00 0.00 N ATOM 186 CA LYS A 14 -0.182 -5.706 -7.998 1.00 0.00 C ATOM 187 C LYS A 14 -0.505 -5.471 -6.532 1.00 0.00 C ATOM 188 O LYS A 14 -1.676 -5.302 -6.188 1.00 0.00 O ATOM 189 CB LYS A 14 0.402 -4.399 -8.570 1.00 0.00 C ATOM 190 CG LYS A 14 1.715 -4.572 -9.346 1.00 0.00 C ATOM 191 CD LYS A 14 2.591 -3.320 -9.161 1.00 0.00 C ATOM 192 CE LYS A 14 3.892 -3.398 -9.957 1.00 0.00 C ATOM 193 NZ LYS A 14 3.689 -3.039 -11.374 1.00 0.00 N ATOM 0 H LYS A 14 -2.233 -5.555 -8.287 1.00 0.00 H new ATOM 0 HA LYS A 14 0.546 -6.504 -8.145 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.337 -3.944 -9.229 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.569 -3.701 -7.749 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.246 -5.455 -8.991 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.506 -4.729 -10.404 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.030 -2.438 -9.472 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.822 -3.195 -8.103 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.630 -2.729 -9.514 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.298 -4.407 -9.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.339 -3.591 -11.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.708 -3.248 -11.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.877 -2.025 -11.505 1.00 0.00 H new ATOM 207 N VAL A 15 0.511 -5.350 -5.691 1.00 0.00 N ATOM 208 CA VAL A 15 0.371 -4.838 -4.347 1.00 0.00 C ATOM 209 C VAL A 15 1.153 -3.528 -4.304 1.00 0.00 C ATOM 210 O VAL A 15 2.364 -3.535 -4.150 1.00 0.00 O ATOM 211 CB VAL A 15 0.843 -5.891 -3.331 1.00 0.00 C ATOM 212 CG1 VAL A 15 0.518 -5.371 -1.933 1.00 0.00 C ATOM 213 CG2 VAL A 15 0.175 -7.260 -3.551 1.00 0.00 C ATOM 0 H VAL A 15 1.467 -5.610 -5.932 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.664 -4.634 -4.075 1.00 0.00 H new ATOM 0 HB VAL A 15 1.915 -6.044 -3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.842 -6.099 -1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.036 -4.427 -1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.557 -5.215 -1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.542 -7.968 -2.808 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.906 -7.158 -3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.415 -7.625 -4.550 1.00 0.00 H new ATOM 223 N VAL A 16 0.496 -2.392 -4.497 1.00 0.00 N ATOM 224 CA VAL A 16 1.155 -1.102 -4.370 1.00 0.00 C ATOM 225 C VAL A 16 0.961 -0.617 -2.934 1.00 0.00 C ATOM 226 O VAL A 16 -0.095 -0.838 -2.344 1.00 0.00 O ATOM 227 CB VAL A 16 0.605 -0.161 -5.455 1.00 0.00 C ATOM 228 CG1 VAL A 16 1.097 1.281 -5.308 1.00 0.00 C ATOM 229 CG2 VAL A 16 1.055 -0.710 -6.821 1.00 0.00 C ATOM 0 H VAL A 16 -0.493 -2.339 -4.742 1.00 0.00 H new ATOM 0 HA VAL A 16 2.231 -1.150 -4.539 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.480 -0.131 -5.359 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.673 1.893 -6.104 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.784 1.675 -4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.185 1.303 -5.374 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.680 -0.063 -7.614 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.144 -0.739 -6.861 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.660 -1.717 -6.957 1.00 0.00 H new ATOM 239 N VAL A 17 1.950 0.065 -2.362 1.00 0.00 N ATOM 240 CA VAL A 17 1.805 0.751 -1.080 1.00 0.00 C ATOM 241 C VAL A 17 2.367 2.152 -1.243 1.00 0.00 C ATOM 242 O VAL A 17 3.551 2.300 -1.528 1.00 0.00 O ATOM 243 CB VAL A 17 2.520 -0.006 0.055 1.00 0.00 C ATOM 244 CG1 VAL A 17 2.076 0.534 1.424 1.00 0.00 C ATOM 245 CG2 VAL A 17 2.300 -1.524 -0.008 1.00 0.00 C ATOM 0 H VAL A 17 2.878 0.158 -2.776 1.00 0.00 H new ATOM 0 HA VAL A 17 0.752 0.794 -0.801 1.00 0.00 H new ATOM 0 HB VAL A 17 3.588 0.168 -0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.591 -0.012 2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.323 1.593 1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.999 0.404 1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.828 -2.003 0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.235 -1.741 0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.681 -1.908 -0.954 1.00 0.00 H new ATOM 255 N PHE A 18 1.540 3.182 -1.081 1.00 0.00 N ATOM 256 CA PHE A 18 2.032 4.555 -1.044 1.00 0.00 C ATOM 257 C PHE A 18 2.643 4.762 0.344 1.00 0.00 C ATOM 258 O PHE A 18 1.956 4.534 1.344 1.00 0.00 O ATOM 259 CB PHE A 18 0.902 5.522 -1.435 1.00 0.00 C ATOM 260 CG PHE A 18 0.418 5.217 -2.834 1.00 0.00 C ATOM 261 CD1 PHE A 18 1.184 5.643 -3.937 1.00 0.00 C ATOM 262 CD2 PHE A 18 -0.719 4.414 -3.031 1.00 0.00 C ATOM 263 CE1 PHE A 18 0.808 5.272 -5.237 1.00 0.00 C ATOM 264 CE2 PHE A 18 -1.091 4.044 -4.332 1.00 0.00 C ATOM 265 CZ PHE A 18 -0.331 4.476 -5.432 1.00 0.00 C ATOM 0 H PHE A 18 0.530 3.092 -0.974 1.00 0.00 H new ATOM 0 HA PHE A 18 2.815 4.761 -1.774 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.076 5.433 -0.729 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.258 6.551 -1.381 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.060 6.255 -3.782 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.303 4.084 -2.185 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.393 5.598 -6.084 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.963 3.426 -4.488 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.625 4.194 -6.432 1.00 0.00 H new ATOM 275 N ILE A 19 3.933 5.102 0.393 1.00 0.00 N ATOM 276 CA ILE A 19 4.789 5.208 1.579 1.00 0.00 C ATOM 277 C ILE A 19 5.547 6.545 1.552 1.00 0.00 C ATOM 278 O ILE A 19 5.377 7.323 0.620 1.00 0.00 O ATOM 279 CB ILE A 19 5.792 4.028 1.655 1.00 0.00 C ATOM 280 CG1 ILE A 19 6.740 3.979 0.433 1.00 0.00 C ATOM 281 CG2 ILE A 19 5.090 2.679 1.853 1.00 0.00 C ATOM 282 CD1 ILE A 19 8.214 3.840 0.833 1.00 0.00 C ATOM 0 H ILE A 19 4.446 5.328 -0.459 1.00 0.00 H new ATOM 0 HA ILE A 19 4.155 5.166 2.465 1.00 0.00 H new ATOM 0 HB ILE A 19 6.404 4.215 2.538 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.460 3.141 -0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.612 4.886 -0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.835 1.885 1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.521 2.698 2.782 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.415 2.494 1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.833 3.811 -0.064 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.506 4.691 1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.352 2.919 1.399 1.00 0.00 H new ATOM 294 N LYS A 20 6.410 6.815 2.531 1.00 0.00 N ATOM 295 CA LYS A 20 7.352 7.940 2.579 1.00 0.00 C ATOM 296 C LYS A 20 8.698 7.399 3.073 1.00 0.00 C ATOM 297 O LYS A 20 8.719 6.302 3.636 1.00 0.00 O ATOM 298 CB LYS A 20 6.773 9.076 3.445 1.00 0.00 C ATOM 299 CG LYS A 20 6.118 8.626 4.750 1.00 0.00 C ATOM 300 CD LYS A 20 5.822 9.816 5.679 1.00 0.00 C ATOM 301 CE LYS A 20 5.168 11.005 4.956 1.00 0.00 C ATOM 302 NZ LYS A 20 4.937 12.116 5.888 1.00 0.00 N ATOM 0 H LYS A 20 6.477 6.224 3.359 1.00 0.00 H new ATOM 0 HA LYS A 20 7.513 8.382 1.595 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.574 9.776 3.681 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.036 9.622 2.856 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.190 8.098 4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.772 7.920 5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.167 9.485 6.485 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.752 10.148 6.141 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.808 11.337 4.139 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.222 10.692 4.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.495 12.909 5.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.308 11.801 6.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.844 12.426 6.291 1.00 0.00 H new ATOM 316 N PRO A 21 9.809 8.136 2.916 1.00 0.00 N ATOM 317 CA PRO A 21 11.148 7.578 3.076 1.00 0.00 C ATOM 318 C PRO A 21 11.539 7.384 4.548 1.00 0.00 C ATOM 319 O PRO A 21 12.650 6.937 4.847 1.00 0.00 O ATOM 320 CB PRO A 21 12.063 8.601 2.389 1.00 0.00 C ATOM 321 CG PRO A 21 11.349 9.927 2.566 1.00 0.00 C ATOM 322 CD PRO A 21 9.904 9.494 2.403 1.00 0.00 C ATOM 0 HA PRO A 21 11.220 6.581 2.642 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.052 8.619 2.846 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.203 8.363 1.335 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.540 10.372 3.543 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.648 10.661 1.817 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.237 10.161 2.950 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.605 9.533 1.355 1.00 0.00 H new ATOM 330 N THR A 22 10.664 7.770 5.473 1.00 0.00 N ATOM 331 CA THR A 22 10.910 7.832 6.895 1.00 0.00 C ATOM 332 C THR A 22 9.930 6.871 7.572 1.00 0.00 C ATOM 333 O THR A 22 10.236 5.681 7.603 1.00 0.00 O ATOM 334 CB THR A 22 10.836 9.305 7.346 1.00 0.00 C ATOM 335 OG1 THR A 22 9.674 9.920 6.806 1.00 0.00 O ATOM 336 CG2 THR A 22 12.077 10.092 6.920 1.00 0.00 C ATOM 0 H THR A 22 9.717 8.061 5.229 1.00 0.00 H new ATOM 0 HA THR A 22 11.907 7.502 7.185 1.00 0.00 H new ATOM 0 HB THR A 22 10.788 9.314 8.435 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.633 10.855 7.098 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.986 11.125 7.256 1.00 0.00 H new ATOM 0 HG22 THR A 22 12.964 9.642 7.366 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.166 10.071 5.834 1.00 0.00 H new ATOM 344 N CYS A 23 8.823 7.387 8.133 1.00 0.00 N ATOM 345 CA CYS A 23 7.643 6.684 8.639 1.00 0.00 C ATOM 346 C CYS A 23 7.922 5.288 9.238 1.00 0.00 C ATOM 347 O CYS A 23 7.956 4.302 8.491 1.00 0.00 O ATOM 348 CB CYS A 23 6.485 6.705 7.643 1.00 0.00 C ATOM 349 SG CYS A 23 4.914 6.123 8.306 1.00 0.00 S ATOM 0 H CYS A 23 8.728 8.396 8.252 1.00 0.00 H new ATOM 0 HA CYS A 23 7.319 7.265 9.503 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.355 7.724 7.278 1.00 0.00 H new ATOM 0 HB3 CYS A 23 6.751 6.090 6.783 1.00 0.00 H new ATOM 0 HG CYS A 23 4.292 5.427 7.401 1.00 0.00 H new ATOM 354 N PRO A 24 7.986 5.137 10.570 1.00 0.00 N ATOM 355 CA PRO A 24 8.109 3.820 11.175 1.00 0.00 C ATOM 356 C PRO A 24 6.848 2.971 10.946 1.00 0.00 C ATOM 357 O PRO A 24 6.854 1.780 11.259 1.00 0.00 O ATOM 358 CB PRO A 24 8.383 4.086 12.659 1.00 0.00 C ATOM 359 CG PRO A 24 7.664 5.408 12.923 1.00 0.00 C ATOM 360 CD PRO A 24 7.771 6.153 11.591 1.00 0.00 C ATOM 0 HA PRO A 24 8.914 3.236 10.728 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.995 3.285 13.289 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.451 4.162 12.863 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.625 5.248 13.210 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.136 5.965 13.732 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.863 6.721 11.389 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.595 6.866 11.610 1.00 0.00 H new ATOM 368 N TYR A 25 5.746 3.540 10.438 1.00 0.00 N ATOM 369 CA TYR A 25 4.536 2.775 10.165 1.00 0.00 C ATOM 370 C TYR A 25 4.619 2.248 8.738 1.00 0.00 C ATOM 371 O TYR A 25 4.187 1.121 8.509 1.00 0.00 O ATOM 372 CB TYR A 25 3.302 3.655 10.351 1.00 0.00 C ATOM 373 CG TYR A 25 3.160 4.138 11.778 1.00 0.00 C ATOM 374 CD1 TYR A 25 2.662 3.295 12.788 1.00 0.00 C ATOM 375 CD2 TYR A 25 3.609 5.432 12.101 1.00 0.00 C ATOM 376 CE1 TYR A 25 2.585 3.767 14.113 1.00 0.00 C ATOM 377 CE2 TYR A 25 3.532 5.904 13.419 1.00 0.00 C ATOM 378 CZ TYR A 25 3.003 5.076 14.432 1.00 0.00 C ATOM 379 OH TYR A 25 2.881 5.521 15.708 1.00 0.00 O ATOM 0 H TYR A 25 5.674 4.531 10.209 1.00 0.00 H new ATOM 0 HA TYR A 25 4.451 1.939 10.859 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.365 4.513 9.682 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.411 3.095 10.068 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.341 2.292 12.549 1.00 0.00 H new ATOM 0 HD2 TYR A 25 4.016 6.066 11.328 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.203 3.122 14.890 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.877 6.899 13.658 1.00 0.00 H new ATOM 0 HH TYR A 25 3.213 6.441 15.767 1.00 0.00 H new ATOM 389 N CYS A 26 5.209 3.009 7.802 1.00 0.00 N ATOM 390 CA CYS A 26 5.512 2.519 6.464 1.00 0.00 C ATOM 391 C CYS A 26 6.487 1.362 6.636 1.00 0.00 C ATOM 392 O CYS A 26 6.183 0.248 6.225 1.00 0.00 O ATOM 393 CB CYS A 26 6.143 3.604 5.582 1.00 0.00 C ATOM 394 SG CYS A 26 4.892 4.824 5.092 1.00 0.00 S ATOM 0 H CYS A 26 5.486 3.978 7.959 1.00 0.00 H new ATOM 0 HA CYS A 26 4.593 2.210 5.967 1.00 0.00 H new ATOM 0 HB2 CYS A 26 6.950 4.098 6.123 1.00 0.00 H new ATOM 0 HB3 CYS A 26 6.585 3.150 4.695 1.00 0.00 H new ATOM 0 HG CYS A 26 5.414 6.014 5.117 1.00 0.00 H new ATOM 400 N ARG A 27 7.615 1.596 7.320 1.00 0.00 N ATOM 401 CA ARG A 27 8.651 0.582 7.486 1.00 0.00 C ATOM 402 C ARG A 27 8.105 -0.689 8.154 1.00 0.00 C ATOM 403 O ARG A 27 8.424 -1.787 7.690 1.00 0.00 O ATOM 404 CB ARG A 27 9.857 1.175 8.228 1.00 0.00 C ATOM 405 CG ARG A 27 11.095 0.313 7.950 1.00 0.00 C ATOM 406 CD ARG A 27 12.209 0.520 8.974 1.00 0.00 C ATOM 407 NE ARG A 27 13.135 1.592 8.581 1.00 0.00 N ATOM 408 CZ ARG A 27 14.430 1.667 8.906 1.00 0.00 C ATOM 409 NH1 ARG A 27 14.969 0.811 9.772 1.00 0.00 N ATOM 410 NH2 ARG A 27 15.181 2.614 8.358 1.00 0.00 N ATOM 0 H ARG A 27 7.829 2.487 7.768 1.00 0.00 H new ATOM 0 HA ARG A 27 8.994 0.271 6.499 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.032 2.200 7.901 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.658 1.212 9.299 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.805 -0.738 7.944 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.476 0.544 6.955 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.770 0.759 9.942 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.764 -0.410 9.097 1.00 0.00 H new ATOM 0 HE ARG A 27 12.756 2.346 8.009 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.392 0.085 10.198 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.958 0.881 10.010 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.769 3.273 7.698 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.170 2.683 8.597 1.00 0.00 H new ATOM 424 N ARG A 28 7.249 -0.565 9.180 1.00 0.00 N ATOM 425 CA ARG A 28 6.526 -1.707 9.746 1.00 0.00 C ATOM 426 C ARG A 28 5.726 -2.390 8.663 1.00 0.00 C ATOM 427 O ARG A 28 5.905 -3.579 8.442 1.00 0.00 O ATOM 428 CB ARG A 28 5.566 -1.276 10.861 1.00 0.00 C ATOM 429 CG ARG A 28 4.665 -2.432 11.372 1.00 0.00 C ATOM 430 CD ARG A 28 4.884 -2.772 12.850 1.00 0.00 C ATOM 431 NE ARG A 28 6.058 -3.643 13.039 1.00 0.00 N ATOM 432 CZ ARG A 28 6.280 -4.446 14.084 1.00 0.00 C ATOM 433 NH1 ARG A 28 5.454 -4.460 15.125 1.00 0.00 N ATOM 434 NH2 ARG A 28 7.345 -5.230 14.077 1.00 0.00 N ATOM 0 H ARG A 28 7.042 0.324 9.636 1.00 0.00 H new ATOM 0 HA ARG A 28 7.267 -2.387 10.167 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.144 -0.878 11.695 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.935 -0.466 10.495 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.620 -2.161 11.221 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.854 -3.322 10.771 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.017 -1.852 13.419 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.996 -3.266 13.246 1.00 0.00 H new ATOM 0 HE ARG A 28 6.766 -3.632 12.305 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.635 -3.852 15.135 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.639 -5.079 15.914 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.983 -5.216 13.281 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.528 -5.848 14.867 1.00 0.00 H new ATOM 448 N ALA A 29 4.785 -1.667 8.062 1.00 0.00 N ATOM 449 CA ALA A 29 3.900 -2.227 7.048 1.00 0.00 C ATOM 450 C ALA A 29 4.697 -2.945 5.960 1.00 0.00 C ATOM 451 O ALA A 29 4.230 -3.962 5.467 1.00 0.00 O ATOM 452 CB ALA A 29 3.002 -1.154 6.440 1.00 0.00 C ATOM 0 H ALA A 29 4.616 -0.682 8.264 1.00 0.00 H new ATOM 0 HA ALA A 29 3.260 -2.959 7.540 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.355 -1.605 5.688 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.391 -0.705 7.223 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.618 -0.385 5.975 1.00 0.00 H new ATOM 458 N GLN A 30 5.897 -2.464 5.633 1.00 0.00 N ATOM 459 CA GLN A 30 6.858 -3.115 4.766 1.00 0.00 C ATOM 460 C GLN A 30 7.263 -4.479 5.291 1.00 0.00 C ATOM 461 O GLN A 30 7.126 -5.430 4.540 1.00 0.00 O ATOM 462 CB GLN A 30 8.086 -2.206 4.550 1.00 0.00 C ATOM 463 CG GLN A 30 8.136 -1.684 3.115 1.00 0.00 C ATOM 464 CD GLN A 30 8.422 -0.185 3.038 1.00 0.00 C ATOM 465 OE1 GLN A 30 7.647 0.634 3.521 1.00 0.00 O ATOM 466 NE2 GLN A 30 9.536 0.205 2.442 1.00 0.00 N ATOM 0 H GLN A 30 6.233 -1.568 5.986 1.00 0.00 H new ATOM 0 HA GLN A 30 6.379 -3.282 3.801 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.048 -1.367 5.245 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.997 -2.762 4.770 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.905 -2.224 2.564 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.186 -1.893 2.624 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.171 -0.487 2.045 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.760 1.198 2.379 1.00 0.00 H new ATOM 475 N GLU A 31 7.758 -4.624 6.520 1.00 0.00 N ATOM 476 CA GLU A 31 8.209 -5.942 6.980 1.00 0.00 C ATOM 477 C GLU A 31 7.014 -6.874 7.166 1.00 0.00 C ATOM 478 O GLU A 31 7.061 -8.052 6.826 1.00 0.00 O ATOM 479 CB GLU A 31 9.082 -5.842 8.253 1.00 0.00 C ATOM 480 CG GLU A 31 8.328 -5.720 9.592 1.00 0.00 C ATOM 481 CD GLU A 31 9.094 -5.028 10.724 1.00 0.00 C ATOM 482 OE1 GLU A 31 10.347 -4.953 10.721 1.00 0.00 O ATOM 483 OE2 GLU A 31 8.413 -4.525 11.649 1.00 0.00 O ATOM 0 H GLU A 31 7.857 -3.870 7.200 1.00 0.00 H new ATOM 0 HA GLU A 31 8.850 -6.372 6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.721 -6.724 8.300 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.738 -4.978 8.150 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.401 -5.173 9.418 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.050 -6.720 9.924 1.00 0.00 H new ATOM 490 N ILE A 32 5.915 -6.333 7.672 1.00 0.00 N ATOM 491 CA ILE A 32 4.650 -7.016 7.846 1.00 0.00 C ATOM 492 C ILE A 32 4.208 -7.594 6.501 1.00 0.00 C ATOM 493 O ILE A 32 3.822 -8.766 6.437 1.00 0.00 O ATOM 494 CB ILE A 32 3.648 -5.999 8.433 1.00 0.00 C ATOM 495 CG1 ILE A 32 3.822 -5.937 9.968 1.00 0.00 C ATOM 496 CG2 ILE A 32 2.208 -6.309 8.030 1.00 0.00 C ATOM 497 CD1 ILE A 32 2.770 -5.116 10.725 1.00 0.00 C ATOM 0 H ILE A 32 5.884 -5.363 7.985 1.00 0.00 H new ATOM 0 HA ILE A 32 4.722 -7.856 8.537 1.00 0.00 H new ATOM 0 HB ILE A 32 3.865 -5.016 8.016 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.811 -6.955 10.358 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.806 -5.523 10.187 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.540 -5.567 8.467 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.120 -6.282 6.944 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.934 -7.300 8.391 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.988 -5.141 11.793 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.792 -4.084 10.374 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.781 -5.539 10.547 1.00 0.00 H new ATOM 509 N LEU A 33 4.211 -6.768 5.447 1.00 0.00 N ATOM 510 CA LEU A 33 3.701 -7.196 4.159 1.00 0.00 C ATOM 511 C LEU A 33 4.736 -8.112 3.515 1.00 0.00 C ATOM 512 O LEU A 33 4.393 -9.201 3.065 1.00 0.00 O ATOM 513 CB LEU A 33 3.427 -6.032 3.179 1.00 0.00 C ATOM 514 CG LEU A 33 1.964 -5.560 3.085 1.00 0.00 C ATOM 515 CD1 LEU A 33 1.893 -4.317 2.200 1.00 0.00 C ATOM 516 CD2 LEU A 33 1.066 -6.636 2.452 1.00 0.00 C ATOM 0 H LEU A 33 4.560 -5.810 5.470 1.00 0.00 H new ATOM 0 HA LEU A 33 2.750 -7.695 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.044 -5.183 3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.755 -6.335 2.185 1.00 0.00 H new ATOM 0 HG LEU A 33 1.616 -5.351 4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.859 -3.979 2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.505 -3.526 2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.264 -4.558 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.041 -6.270 2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.421 -6.861 1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.099 -7.541 3.059 1.00 0.00 H new ATOM 528 N SER A 34 5.987 -7.641 3.417 1.00 0.00 N ATOM 529 CA SER A 34 7.015 -8.258 2.584 1.00 0.00 C ATOM 530 C SER A 34 7.354 -9.680 3.045 1.00 0.00 C ATOM 531 O SER A 34 7.776 -10.494 2.227 1.00 0.00 O ATOM 532 CB SER A 34 8.260 -7.355 2.567 1.00 0.00 C ATOM 533 OG SER A 34 9.127 -7.625 1.484 1.00 0.00 O ATOM 0 H SER A 34 6.311 -6.815 3.920 1.00 0.00 H new ATOM 0 HA SER A 34 6.630 -8.355 1.569 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.945 -6.313 2.521 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.806 -7.482 3.502 1.00 0.00 H new ATOM 0 HG SER A 34 9.898 -7.021 1.524 1.00 0.00 H new ATOM 539 N GLN A 35 7.129 -10.021 4.319 1.00 0.00 N ATOM 540 CA GLN A 35 7.371 -11.361 4.849 1.00 0.00 C ATOM 541 C GLN A 35 6.312 -12.373 4.387 1.00 0.00 C ATOM 542 O GLN A 35 6.348 -13.529 4.819 1.00 0.00 O ATOM 543 CB GLN A 35 7.406 -11.316 6.382 1.00 0.00 C ATOM 544 CG GLN A 35 8.676 -10.685 6.957 1.00 0.00 C ATOM 545 CD GLN A 35 8.565 -10.652 8.475 1.00 0.00 C ATOM 546 OE1 GLN A 35 9.108 -11.506 9.168 1.00 0.00 O ATOM 547 NE2 GLN A 35 7.810 -9.718 9.023 1.00 0.00 N ATOM 0 H GLN A 35 6.771 -9.366 5.014 1.00 0.00 H new ATOM 0 HA GLN A 35 8.334 -11.694 4.461 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.541 -10.757 6.739 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.310 -12.331 6.767 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.552 -11.259 6.655 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.806 -9.676 6.566 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.364 -9.013 8.436 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.673 -9.701 10.034 1.00 0.00 H new ATOM 556 N LEU A 36 5.329 -11.977 3.576 1.00 0.00 N ATOM 557 CA LEU A 36 4.440 -12.915 2.910 1.00 0.00 C ATOM 558 C LEU A 36 5.071 -13.352 1.581 1.00 0.00 C ATOM 559 O LEU A 36 5.715 -12.533 0.921 1.00 0.00 O ATOM 560 CB LEU A 36 3.079 -12.249 2.679 1.00 0.00 C ATOM 561 CG LEU A 36 2.276 -12.038 3.976 1.00 0.00 C ATOM 562 CD1 LEU A 36 0.980 -11.285 3.665 1.00 0.00 C ATOM 563 CD2 LEU A 36 1.915 -13.374 4.639 1.00 0.00 C ATOM 0 H LEU A 36 5.132 -10.998 3.367 1.00 0.00 H new ATOM 0 HA LEU A 36 4.290 -13.798 3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.232 -11.285 2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.494 -12.862 1.993 1.00 0.00 H new ATOM 0 HG LEU A 36 2.901 -11.463 4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.415 -11.138 4.585 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.218 -10.316 3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.383 -11.864 2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.349 -13.186 5.551 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.312 -13.969 3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.828 -13.917 4.884 1.00 0.00 H new ATOM 575 N PRO A 37 4.863 -14.608 1.140 1.00 0.00 N ATOM 576 CA PRO A 37 5.434 -15.151 -0.093 1.00 0.00 C ATOM 577 C PRO A 37 4.656 -14.668 -1.333 1.00 0.00 C ATOM 578 O PRO A 37 4.102 -15.453 -2.103 1.00 0.00 O ATOM 579 CB PRO A 37 5.404 -16.673 0.110 1.00 0.00 C ATOM 580 CG PRO A 37 4.158 -16.885 0.966 1.00 0.00 C ATOM 581 CD PRO A 37 4.153 -15.654 1.865 1.00 0.00 C ATOM 0 HA PRO A 37 6.452 -14.810 -0.283 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.336 -17.205 -0.839 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.303 -17.030 0.612 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.255 -16.946 0.358 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.216 -17.808 1.544 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.133 -15.344 2.093 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.641 -15.866 2.816 1.00 0.00 H new ATOM 589 N ILE A 38 4.563 -13.350 -1.502 1.00 0.00 N ATOM 590 CA ILE A 38 3.802 -12.692 -2.557 1.00 0.00 C ATOM 591 C ILE A 38 4.597 -12.867 -3.856 1.00 0.00 C ATOM 592 O ILE A 38 5.830 -12.944 -3.824 1.00 0.00 O ATOM 593 CB ILE A 38 3.636 -11.213 -2.120 1.00 0.00 C ATOM 594 CG1 ILE A 38 2.433 -11.149 -1.159 1.00 0.00 C ATOM 595 CG2 ILE A 38 3.391 -10.207 -3.264 1.00 0.00 C ATOM 596 CD1 ILE A 38 2.465 -9.955 -0.209 1.00 0.00 C ATOM 0 H ILE A 38 5.034 -12.689 -0.884 1.00 0.00 H new ATOM 0 HA ILE A 38 2.808 -13.105 -2.725 1.00 0.00 H new ATOM 0 HB ILE A 38 4.582 -10.918 -1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.514 -11.111 -1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.399 -12.067 -0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.289 -9.204 -2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.233 -10.231 -3.956 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.478 -10.475 -3.795 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.586 -9.979 0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.365 -10.001 0.404 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.466 -9.031 -0.786 1.00 0.00 H new ATOM 608 N LYS A 39 3.903 -12.899 -5.002 1.00 0.00 N ATOM 609 CA LYS A 39 4.530 -13.013 -6.305 1.00 0.00 C ATOM 610 C LYS A 39 5.569 -11.908 -6.443 1.00 0.00 C ATOM 611 O LYS A 39 5.244 -10.731 -6.253 1.00 0.00 O ATOM 612 CB LYS A 39 3.507 -12.988 -7.440 1.00 0.00 C ATOM 613 CG LYS A 39 3.192 -14.391 -7.978 1.00 0.00 C ATOM 614 CD LYS A 39 4.145 -14.867 -9.080 1.00 0.00 C ATOM 615 CE LYS A 39 4.047 -13.994 -10.338 1.00 0.00 C ATOM 616 NZ LYS A 39 4.924 -14.458 -11.427 1.00 0.00 N ATOM 0 H LYS A 39 2.885 -12.846 -5.040 1.00 0.00 H new ATOM 0 HA LYS A 39 5.025 -13.981 -6.382 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.587 -12.523 -7.085 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.885 -12.367 -8.252 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.225 -15.101 -7.152 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.173 -14.400 -8.365 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.169 -14.851 -8.706 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.915 -15.901 -9.337 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.015 -13.985 -10.688 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.306 -12.967 -10.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.816 -13.832 -12.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.913 -14.442 -11.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.662 -15.428 -11.694 1.00 0.00 H new ATOM 630 N GLN A 40 6.814 -12.275 -6.723 1.00 0.00 N ATOM 631 CA GLN A 40 7.891 -11.307 -6.699 1.00 0.00 C ATOM 632 C GLN A 40 7.660 -10.298 -7.820 1.00 0.00 C ATOM 633 O GLN A 40 7.354 -10.682 -8.952 1.00 0.00 O ATOM 634 CB GLN A 40 9.256 -12.001 -6.792 1.00 0.00 C ATOM 635 CG GLN A 40 10.404 -11.078 -6.362 1.00 0.00 C ATOM 636 CD GLN A 40 10.315 -10.676 -4.887 1.00 0.00 C ATOM 637 OE1 GLN A 40 9.639 -9.712 -4.534 1.00 0.00 O ATOM 638 NE2 GLN A 40 10.961 -11.399 -3.989 1.00 0.00 N ATOM 0 H GLN A 40 7.095 -13.225 -6.966 1.00 0.00 H new ATOM 0 HA GLN A 40 7.897 -10.770 -5.750 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.253 -12.892 -6.164 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.424 -12.334 -7.816 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.355 -11.579 -6.541 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.395 -10.181 -6.981 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.521 -12.198 -4.285 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.899 -11.158 -3.000 1.00 0.00 H new ATOM 647 N GLY A 41 7.792 -9.012 -7.507 1.00 0.00 N ATOM 648 CA GLY A 41 7.509 -7.929 -8.433 1.00 0.00 C ATOM 649 C GLY A 41 6.113 -7.340 -8.253 1.00 0.00 C ATOM 650 O GLY A 41 5.861 -6.251 -8.773 1.00 0.00 O ATOM 0 H GLY A 41 8.103 -8.693 -6.590 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.250 -7.141 -8.299 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.614 -8.295 -9.454 1.00 0.00 H new ATOM 654 N LEU A 42 5.200 -8.003 -7.526 1.00 0.00 N ATOM 655 CA LEU A 42 3.899 -7.418 -7.265 1.00 0.00 C ATOM 656 C LEU A 42 4.005 -6.307 -6.230 1.00 0.00 C ATOM 657 O LEU A 42 3.253 -5.343 -6.341 1.00 0.00 O ATOM 658 CB LEU A 42 2.898 -8.442 -6.738 1.00 0.00 C ATOM 659 CG LEU A 42 2.479 -9.560 -7.701 1.00 0.00 C ATOM 660 CD1 LEU A 42 1.208 -10.189 -7.138 1.00 0.00 C ATOM 661 CD2 LEU A 42 2.193 -9.115 -9.132 1.00 0.00 C ATOM 0 H LEU A 42 5.345 -8.927 -7.120 1.00 0.00 H new ATOM 0 HA LEU A 42 3.548 -7.029 -8.221 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.322 -8.903 -5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.000 -7.909 -6.425 1.00 0.00 H new ATOM 0 HG LEU A 42 3.323 -10.247 -7.767 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.877 -10.992 -7.797 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.411 -10.594 -6.146 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.427 -9.432 -7.068 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.905 -9.979 -9.731 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.381 -8.387 -9.131 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.088 -8.660 -9.557 1.00 0.00 H new ATOM 673 N LEU A 43 4.833 -6.489 -5.193 1.00 0.00 N ATOM 674 CA LEU A 43 4.846 -5.619 -4.024 1.00 0.00 C ATOM 675 C LEU A 43 5.728 -4.412 -4.332 1.00 0.00 C ATOM 676 O LEU A 43 6.952 -4.553 -4.362 1.00 0.00 O ATOM 677 CB LEU A 43 5.285 -6.369 -2.749 1.00 0.00 C ATOM 678 CG LEU A 43 4.695 -5.856 -1.406 1.00 0.00 C ATOM 679 CD1 LEU A 43 4.120 -4.432 -1.399 1.00 0.00 C ATOM 680 CD2 LEU A 43 3.597 -6.802 -0.906 1.00 0.00 C ATOM 0 H LEU A 43 5.513 -7.248 -5.147 1.00 0.00 H new ATOM 0 HA LEU A 43 3.834 -5.273 -3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.016 -7.419 -2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.372 -6.324 -2.684 1.00 0.00 H new ATOM 0 HG LEU A 43 5.567 -5.832 -0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.741 -4.197 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.903 -3.722 -1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.307 -4.364 -2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.195 -6.427 0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.798 -6.856 -1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.016 -7.796 -0.752 1.00 0.00 H new ATOM 692 N GLU A 44 5.136 -3.251 -4.602 1.00 0.00 N ATOM 693 CA GLU A 44 5.861 -2.055 -4.985 1.00 0.00 C ATOM 694 C GLU A 44 5.524 -0.954 -3.989 1.00 0.00 C ATOM 695 O GLU A 44 4.381 -0.501 -3.890 1.00 0.00 O ATOM 696 CB GLU A 44 5.550 -1.684 -6.438 1.00 0.00 C ATOM 697 CG GLU A 44 6.564 -0.631 -6.904 1.00 0.00 C ATOM 698 CD GLU A 44 6.377 -0.230 -8.365 1.00 0.00 C ATOM 699 OE1 GLU A 44 6.138 -1.115 -9.218 1.00 0.00 O ATOM 700 OE2 GLU A 44 6.551 0.962 -8.693 1.00 0.00 O ATOM 0 H GLU A 44 4.126 -3.119 -4.559 1.00 0.00 H new ATOM 0 HA GLU A 44 6.938 -2.219 -4.950 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.604 -2.568 -7.074 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.535 -1.294 -6.520 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.475 0.255 -6.275 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.573 -1.020 -6.766 1.00 0.00 H new ATOM 707 N PHE A 45 6.527 -0.540 -3.224 1.00 0.00 N ATOM 708 CA PHE A 45 6.407 0.575 -2.305 1.00 0.00 C ATOM 709 C PHE A 45 6.650 1.834 -3.143 1.00 0.00 C ATOM 710 O PHE A 45 7.581 1.872 -3.952 1.00 0.00 O ATOM 711 CB PHE A 45 7.425 0.383 -1.166 1.00 0.00 C ATOM 712 CG PHE A 45 7.417 -1.010 -0.549 1.00 0.00 C ATOM 713 CD1 PHE A 45 6.237 -1.533 0.011 1.00 0.00 C ATOM 714 CD2 PHE A 45 8.579 -1.801 -0.556 1.00 0.00 C ATOM 715 CE1 PHE A 45 6.213 -2.831 0.549 1.00 0.00 C ATOM 716 CE2 PHE A 45 8.558 -3.104 -0.024 1.00 0.00 C ATOM 717 CZ PHE A 45 7.374 -3.618 0.534 1.00 0.00 C ATOM 0 H PHE A 45 7.450 -0.974 -3.227 1.00 0.00 H new ATOM 0 HA PHE A 45 5.430 0.653 -1.828 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.424 0.593 -1.548 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.222 1.115 -0.385 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.341 -0.931 0.028 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.494 -1.406 -0.972 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.301 -3.223 0.974 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.452 -3.710 -0.044 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.359 -4.615 0.949 1.00 0.00 H new ATOM 727 N VAL A 46 5.816 2.859 -3.009 1.00 0.00 N ATOM 728 CA VAL A 46 5.803 4.045 -3.843 1.00 0.00 C ATOM 729 C VAL A 46 5.930 5.242 -2.917 1.00 0.00 C ATOM 730 O VAL A 46 4.971 5.653 -2.262 1.00 0.00 O ATOM 731 CB VAL A 46 4.534 4.083 -4.707 1.00 0.00 C ATOM 732 CG1 VAL A 46 4.524 5.364 -5.551 1.00 0.00 C ATOM 733 CG2 VAL A 46 4.461 2.867 -5.640 1.00 0.00 C ATOM 0 H VAL A 46 5.101 2.882 -2.282 1.00 0.00 H new ATOM 0 HA VAL A 46 6.634 4.051 -4.548 1.00 0.00 H new ATOM 0 HB VAL A 46 3.671 4.063 -4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.623 5.389 -6.163 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.540 6.233 -4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.402 5.381 -6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.552 2.922 -6.239 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.330 2.861 -6.299 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.450 1.953 -5.046 1.00 0.00 H new ATOM 743 N ASP A 47 7.145 5.759 -2.838 1.00 0.00 N ATOM 744 CA ASP A 47 7.499 6.912 -2.040 1.00 0.00 C ATOM 745 C ASP A 47 6.789 8.175 -2.547 1.00 0.00 C ATOM 746 O ASP A 47 7.056 8.643 -3.653 1.00 0.00 O ATOM 747 CB ASP A 47 9.023 7.039 -2.052 1.00 0.00 C ATOM 748 CG ASP A 47 9.464 7.912 -0.897 1.00 0.00 C ATOM 749 OD1 ASP A 47 8.838 8.978 -0.704 1.00 0.00 O ATOM 750 OD2 ASP A 47 10.392 7.495 -0.175 1.00 0.00 O ATOM 0 H ASP A 47 7.938 5.370 -3.348 1.00 0.00 H new ATOM 0 HA ASP A 47 7.164 6.786 -1.010 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.482 6.053 -1.973 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.356 7.471 -2.996 1.00 0.00 H new ATOM 755 N ILE A 48 5.864 8.738 -1.764 1.00 0.00 N ATOM 756 CA ILE A 48 5.145 9.971 -2.100 1.00 0.00 C ATOM 757 C ILE A 48 6.057 11.209 -2.097 1.00 0.00 C ATOM 758 O ILE A 48 5.628 12.287 -2.517 1.00 0.00 O ATOM 759 CB ILE A 48 3.912 10.172 -1.186 1.00 0.00 C ATOM 760 CG1 ILE A 48 4.264 10.442 0.296 1.00 0.00 C ATOM 761 CG2 ILE A 48 2.951 8.974 -1.327 1.00 0.00 C ATOM 762 CD1 ILE A 48 3.077 10.956 1.118 1.00 0.00 C ATOM 0 H ILE A 48 5.589 8.344 -0.864 1.00 0.00 H new ATOM 0 HA ILE A 48 4.788 9.854 -3.123 1.00 0.00 H new ATOM 0 HB ILE A 48 3.415 11.080 -1.528 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.638 9.523 0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.072 11.172 0.343 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.086 9.123 -0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.620 8.893 -2.362 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.466 8.058 -1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.393 11.125 2.147 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.717 11.892 0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.276 10.217 1.101 1.00 0.00 H new ATOM 774 N THR A 49 7.298 11.092 -1.624 1.00 0.00 N ATOM 775 CA THR A 49 8.292 12.148 -1.712 1.00 0.00 C ATOM 776 C THR A 49 9.083 12.040 -3.029 1.00 0.00 C ATOM 777 O THR A 49 9.802 12.981 -3.365 1.00 0.00 O ATOM 778 CB THR A 49 9.175 12.179 -0.444 1.00 0.00 C ATOM 779 OG1 THR A 49 10.150 11.167 -0.439 1.00 0.00 O ATOM 780 CG2 THR A 49 8.370 12.086 0.869 1.00 0.00 C ATOM 0 H THR A 49 7.640 10.248 -1.164 1.00 0.00 H new ATOM 0 HA THR A 49 7.792 13.116 -1.744 1.00 0.00 H new ATOM 0 HB THR A 49 9.661 13.154 -0.485 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.776 10.350 -0.830 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.054 12.113 1.718 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.679 12.927 0.932 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.808 11.152 0.886 1.00 0.00 H new ATOM 826 N HIS A 53 5.313 16.012 -4.262 1.00 0.00 N ATOM 827 CA HIS A 53 3.882 16.320 -4.211 1.00 0.00 C ATOM 828 C HIS A 53 3.131 15.559 -3.094 1.00 0.00 C ATOM 829 O HIS A 53 1.903 15.495 -3.142 1.00 0.00 O ATOM 830 CB HIS A 53 3.236 16.093 -5.596 1.00 0.00 C ATOM 831 CG HIS A 53 3.562 17.162 -6.611 1.00 0.00 C ATOM 832 ND1 HIS A 53 2.811 18.288 -6.865 1.00 0.00 N ATOM 833 CD2 HIS A 53 4.592 17.151 -7.510 1.00 0.00 C ATOM 834 CE1 HIS A 53 3.396 18.958 -7.870 1.00 0.00 C ATOM 835 NE2 HIS A 53 4.476 18.292 -8.309 1.00 0.00 N ATOM 0 HA HIS A 53 3.791 17.375 -3.952 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.562 15.128 -5.983 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.154 16.039 -5.476 1.00 0.00 H new ATOM 0 HD1 HIS A 53 1.960 18.564 -6.375 1.00 0.00 H new ATOM 0 HD2 HIS A 53 5.359 16.395 -7.589 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.048 19.899 -8.269 1.00 0.00 H new ATOM 843 N THR A 54 3.813 14.994 -2.086 1.00 0.00 N ATOM 844 CA THR A 54 3.247 14.396 -0.872 1.00 0.00 C ATOM 845 C THR A 54 2.009 15.163 -0.436 1.00 0.00 C ATOM 846 O THR A 54 0.919 14.607 -0.386 1.00 0.00 O ATOM 847 CB THR A 54 4.262 14.213 0.279 1.00 0.00 C ATOM 848 OG1 THR A 54 3.668 14.390 1.552 1.00 0.00 O ATOM 849 CG2 THR A 54 5.488 15.098 0.228 1.00 0.00 C ATOM 0 H THR A 54 4.832 14.940 -2.099 1.00 0.00 H new ATOM 0 HA THR A 54 2.955 13.379 -1.133 1.00 0.00 H new ATOM 0 HB THR A 54 4.592 13.185 0.129 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.345 14.264 2.249 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.128 14.883 1.084 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.038 14.906 -0.693 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.183 16.144 0.257 1.00 0.00 H new ATOM 857 N ASN A 55 2.208 16.431 -0.094 1.00 0.00 N ATOM 858 CA ASN A 55 1.190 17.343 0.424 1.00 0.00 C ATOM 859 C ASN A 55 -0.115 17.374 -0.380 1.00 0.00 C ATOM 860 O ASN A 55 -1.139 17.749 0.196 1.00 0.00 O ATOM 861 CB ASN A 55 1.766 18.767 0.537 1.00 0.00 C ATOM 862 CG ASN A 55 2.239 19.112 1.938 1.00 0.00 C ATOM 863 OD1 ASN A 55 2.015 20.221 2.414 1.00 0.00 O ATOM 864 ND2 ASN A 55 2.907 18.205 2.632 1.00 0.00 N ATOM 0 H ASN A 55 3.124 16.873 -0.173 1.00 0.00 H new ATOM 0 HA ASN A 55 0.923 16.952 1.406 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.600 18.871 -0.157 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.005 19.485 0.230 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.240 18.425 3.571 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.089 17.286 2.228 1.00 0.00 H new ATOM 871 N GLU A 56 -0.124 16.991 -1.660 1.00 0.00 N ATOM 872 CA GLU A 56 -1.335 16.876 -2.464 1.00 0.00 C ATOM 873 C GLU A 56 -1.713 15.408 -2.706 1.00 0.00 C ATOM 874 O GLU A 56 -2.895 15.098 -2.828 1.00 0.00 O ATOM 875 CB GLU A 56 -1.207 17.730 -3.734 1.00 0.00 C ATOM 876 CG GLU A 56 -0.946 16.892 -4.971 1.00 0.00 C ATOM 877 CD GLU A 56 -0.750 17.731 -6.226 1.00 0.00 C ATOM 878 OE1 GLU A 56 0.134 18.610 -6.237 1.00 0.00 O ATOM 879 OE2 GLU A 56 -1.429 17.427 -7.233 1.00 0.00 O ATOM 0 H GLU A 56 0.725 16.749 -2.171 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.183 17.284 -1.914 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.122 18.306 -3.875 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.396 18.447 -3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.059 16.279 -4.808 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.782 16.209 -5.124 1.00 0.00 H new ATOM 886 N ILE A 57 -0.739 14.497 -2.771 1.00 0.00 N ATOM 887 CA ILE A 57 -0.944 13.070 -3.003 1.00 0.00 C ATOM 888 C ILE A 57 -1.612 12.469 -1.755 1.00 0.00 C ATOM 889 O ILE A 57 -2.414 11.550 -1.875 1.00 0.00 O ATOM 890 CB ILE A 57 0.432 12.428 -3.329 1.00 0.00 C ATOM 891 CG1 ILE A 57 0.741 12.634 -4.830 1.00 0.00 C ATOM 892 CG2 ILE A 57 0.467 10.913 -3.034 1.00 0.00 C ATOM 893 CD1 ILE A 57 2.224 12.454 -5.179 1.00 0.00 C ATOM 0 H ILE A 57 0.245 14.743 -2.660 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.603 12.877 -3.850 1.00 0.00 H new ATOM 0 HB ILE A 57 1.173 12.913 -2.693 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.150 11.929 -5.415 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.426 13.635 -5.124 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.452 10.517 -3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.262 10.743 -1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.288 10.408 -3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.368 12.613 -6.248 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.819 13.177 -4.621 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.540 11.444 -4.917 1.00 0.00 H new ATOM 905 N GLN A 58 -1.293 12.979 -0.564 1.00 0.00 N ATOM 906 CA GLN A 58 -1.794 12.531 0.724 1.00 0.00 C ATOM 907 C GLN A 58 -3.299 12.836 0.722 1.00 0.00 C ATOM 908 O GLN A 58 -4.122 11.952 0.942 1.00 0.00 O ATOM 909 CB GLN A 58 -1.057 13.327 1.829 1.00 0.00 C ATOM 910 CG GLN A 58 0.205 12.613 2.353 1.00 0.00 C ATOM 911 CD GLN A 58 0.220 12.393 3.866 1.00 0.00 C ATOM 912 OE1 GLN A 58 0.754 13.201 4.616 1.00 0.00 O ATOM 913 NE2 GLN A 58 -0.311 11.300 4.381 1.00 0.00 N ATOM 0 H GLN A 58 -0.642 13.759 -0.474 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.628 11.469 0.905 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.777 14.305 1.438 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.740 13.500 2.660 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.295 11.647 1.856 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.082 13.198 2.074 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.760 10.616 3.772 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.272 11.140 5.388 1.00 0.00 H new ATOM 922 N ASP A 59 -3.649 14.088 0.410 1.00 0.00 N ATOM 923 CA ASP A 59 -5.015 14.585 0.230 1.00 0.00 C ATOM 924 C ASP A 59 -5.771 13.713 -0.762 1.00 0.00 C ATOM 925 O ASP A 59 -6.813 13.138 -0.457 1.00 0.00 O ATOM 926 CB ASP A 59 -4.928 16.013 -0.320 1.00 0.00 C ATOM 927 CG ASP A 59 -6.239 16.787 -0.286 1.00 0.00 C ATOM 928 OD1 ASP A 59 -7.333 16.215 -0.107 1.00 0.00 O ATOM 929 OD2 ASP A 59 -6.188 18.013 -0.504 1.00 0.00 O ATOM 0 H ASP A 59 -2.951 14.818 0.269 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.544 14.564 1.183 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.181 16.564 0.252 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.573 15.971 -1.350 1.00 0.00 H new ATOM 934 N TYR A 60 -5.172 13.576 -1.943 1.00 0.00 N ATOM 935 CA TYR A 60 -5.678 12.767 -3.044 1.00 0.00 C ATOM 936 C TYR A 60 -6.002 11.348 -2.566 1.00 0.00 C ATOM 937 O TYR A 60 -7.071 10.831 -2.884 1.00 0.00 O ATOM 938 CB TYR A 60 -4.678 12.761 -4.212 1.00 0.00 C ATOM 939 CG TYR A 60 -5.216 12.129 -5.479 1.00 0.00 C ATOM 940 CD1 TYR A 60 -5.134 10.735 -5.672 1.00 0.00 C ATOM 941 CD2 TYR A 60 -5.853 12.937 -6.440 1.00 0.00 C ATOM 942 CE1 TYR A 60 -5.754 10.140 -6.786 1.00 0.00 C ATOM 943 CE2 TYR A 60 -6.472 12.349 -7.556 1.00 0.00 C ATOM 944 CZ TYR A 60 -6.463 10.945 -7.707 1.00 0.00 C ATOM 945 OH TYR A 60 -7.125 10.377 -8.749 1.00 0.00 O ATOM 0 H TYR A 60 -4.292 14.042 -2.165 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.606 13.209 -3.407 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.381 13.787 -4.428 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.779 12.227 -3.905 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.595 10.123 -4.964 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.866 14.010 -6.319 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.689 9.073 -6.937 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.954 12.970 -8.297 1.00 0.00 H new ATOM 0 HH TYR A 60 -7.558 11.076 -9.282 1.00 0.00 H new ATOM 955 N LEU A 61 -5.110 10.714 -1.796 1.00 0.00 N ATOM 956 CA LEU A 61 -5.306 9.376 -1.245 1.00 0.00 C ATOM 957 C LEU A 61 -6.462 9.342 -0.248 1.00 0.00 C ATOM 958 O LEU A 61 -7.174 8.338 -0.228 1.00 0.00 O ATOM 959 CB LEU A 61 -4.021 8.846 -0.577 1.00 0.00 C ATOM 960 CG LEU A 61 -2.971 8.327 -1.573 1.00 0.00 C ATOM 961 CD1 LEU A 61 -1.590 8.243 -0.912 1.00 0.00 C ATOM 962 CD2 LEU A 61 -3.358 6.939 -2.093 1.00 0.00 C ATOM 0 H LEU A 61 -4.215 11.128 -1.536 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.555 8.725 -2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.578 9.643 0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.285 8.042 0.110 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.932 9.029 -2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.863 7.873 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.290 9.233 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.634 7.563 -0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.602 6.590 -2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.425 6.243 -1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.323 6.995 -2.596 1.00 0.00 H new ATOM 974 N GLN A 62 -6.688 10.391 0.548 1.00 0.00 N ATOM 975 CA GLN A 62 -7.862 10.466 1.413 1.00 0.00 C ATOM 976 C GLN A 62 -9.120 10.494 0.557 1.00 0.00 C ATOM 977 O GLN A 62 -10.011 9.667 0.742 1.00 0.00 O ATOM 978 CB GLN A 62 -7.820 11.697 2.330 1.00 0.00 C ATOM 979 CG GLN A 62 -8.869 11.599 3.446 1.00 0.00 C ATOM 980 CD GLN A 62 -9.061 12.937 4.144 1.00 0.00 C ATOM 981 OE1 GLN A 62 -8.199 13.391 4.890 1.00 0.00 O ATOM 982 NE2 GLN A 62 -10.189 13.583 3.929 1.00 0.00 N ATOM 0 H GLN A 62 -6.070 11.200 0.609 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.867 9.584 2.053 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.827 11.792 2.769 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.996 12.597 1.741 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.818 11.266 3.027 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.560 10.848 4.173 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.892 13.188 3.305 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.359 14.479 4.387 1.00 0.00 H new ATOM 991 N GLN A 63 -9.187 11.444 -0.371 1.00 0.00 N ATOM 992 CA GLN A 63 -10.346 11.679 -1.215 1.00 0.00 C ATOM 993 C GLN A 63 -10.670 10.429 -2.036 1.00 0.00 C ATOM 994 O GLN A 63 -11.837 10.128 -2.268 1.00 0.00 O ATOM 995 CB GLN A 63 -10.035 12.892 -2.109 1.00 0.00 C ATOM 996 CG GLN A 63 -11.242 13.797 -2.400 1.00 0.00 C ATOM 997 CD GLN A 63 -11.729 13.672 -3.840 1.00 0.00 C ATOM 998 OE1 GLN A 63 -11.118 14.199 -4.762 1.00 0.00 O ATOM 999 NE2 GLN A 63 -12.863 13.034 -4.067 1.00 0.00 N ATOM 0 H GLN A 63 -8.416 12.085 -0.559 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.230 11.892 -0.613 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.257 13.488 -1.632 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.629 12.535 -3.055 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -12.056 13.542 -1.721 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -10.972 14.834 -2.199 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -13.366 12.598 -3.294 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -13.236 12.978 -5.015 1.00 0.00 H new ATOM 1008 N LEU A 64 -9.639 9.711 -2.482 1.00 0.00 N ATOM 1009 CA LEU A 64 -9.784 8.504 -3.292 1.00 0.00 C ATOM 1010 C LEU A 64 -10.212 7.340 -2.389 1.00 0.00 C ATOM 1011 O LEU A 64 -11.168 6.640 -2.712 1.00 0.00 O ATOM 1012 CB LEU A 64 -8.469 8.220 -4.047 1.00 0.00 C ATOM 1013 CG LEU A 64 -8.233 6.768 -4.499 1.00 0.00 C ATOM 1014 CD1 LEU A 64 -9.239 6.400 -5.584 1.00 0.00 C ATOM 1015 CD2 LEU A 64 -6.818 6.638 -5.070 1.00 0.00 C ATOM 0 H LEU A 64 -8.668 9.955 -2.288 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.560 8.638 -4.046 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.437 8.860 -4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.638 8.517 -3.407 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.353 6.101 -3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.070 5.371 -5.903 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.251 6.496 -5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.116 7.069 -6.436 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.648 5.610 -5.391 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.707 7.308 -5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.090 6.904 -4.303 1.00 0.00 H new ATOM 1027 N THR A 65 -9.491 7.079 -1.291 1.00 0.00 N ATOM 1028 CA THR A 65 -9.672 5.861 -0.509 1.00 0.00 C ATOM 1029 C THR A 65 -10.584 6.189 0.671 1.00 0.00 C ATOM 1030 O THR A 65 -11.784 5.910 0.616 1.00 0.00 O ATOM 1031 CB THR A 65 -8.316 5.199 -0.150 1.00 0.00 C ATOM 1032 OG1 THR A 65 -7.504 5.929 0.759 1.00 0.00 O ATOM 1033 CG2 THR A 65 -7.449 4.938 -1.377 1.00 0.00 C ATOM 0 H THR A 65 -8.772 7.704 -0.926 1.00 0.00 H new ATOM 0 HA THR A 65 -10.171 5.086 -1.091 1.00 0.00 H new ATOM 0 HB THR A 65 -8.636 4.273 0.327 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.441 6.862 0.465 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.512 4.474 -1.069 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.976 4.272 -2.060 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.238 5.881 -1.881 1.00 0.00 H new ATOM 1041 N GLY A 66 -10.037 6.865 1.681 1.00 0.00 N ATOM 1042 CA GLY A 66 -10.721 7.222 2.914 1.00 0.00 C ATOM 1043 C GLY A 66 -9.794 7.761 4.007 1.00 0.00 C ATOM 1044 O GLY A 66 -10.289 8.346 4.968 1.00 0.00 O ATOM 0 H GLY A 66 -9.070 7.189 1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.479 7.973 2.692 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.243 6.344 3.295 1.00 0.00 H new ATOM 1048 N ALA A 67 -8.466 7.612 3.896 1.00 0.00 N ATOM 1049 CA ALA A 67 -7.509 8.242 4.806 1.00 0.00 C ATOM 1050 C ALA A 67 -6.330 8.768 3.998 1.00 0.00 C ATOM 1051 O ALA A 67 -5.946 8.136 3.011 1.00 0.00 O ATOM 1052 CB ALA A 67 -7.008 7.245 5.853 1.00 0.00 C ATOM 0 H ALA A 67 -8.028 7.048 3.168 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.006 9.061 5.326 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.298 7.740 6.516 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.851 6.875 6.436 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.517 6.410 5.354 1.00 0.00 H new ATOM 1058 N ARG A 68 -5.736 9.889 4.425 1.00 0.00 N ATOM 1059 CA ARG A 68 -4.486 10.352 3.815 1.00 0.00 C ATOM 1060 C ARG A 68 -3.305 9.567 4.344 1.00 0.00 C ATOM 1061 O ARG A 68 -2.285 9.496 3.657 1.00 0.00 O ATOM 1062 CB ARG A 68 -4.195 11.858 4.007 1.00 0.00 C ATOM 1063 CG ARG A 68 -4.024 12.404 5.435 1.00 0.00 C ATOM 1064 CD ARG A 68 -5.284 13.149 5.871 1.00 0.00 C ATOM 1065 NE ARG A 68 -5.201 13.600 7.265 1.00 0.00 N ATOM 1066 CZ ARG A 68 -6.215 14.111 7.969 1.00 0.00 C ATOM 1067 NH1 ARG A 68 -7.429 14.241 7.443 1.00 0.00 N ATOM 1068 NH2 ARG A 68 -5.999 14.467 9.226 1.00 0.00 N ATOM 0 H ARG A 68 -6.092 10.481 5.175 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.625 10.184 2.747 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.286 12.092 3.453 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.006 12.413 3.536 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.821 11.584 6.124 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.165 13.074 5.475 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.440 14.009 5.220 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.150 12.498 5.752 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.299 13.517 7.733 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.602 13.948 6.482 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.187 14.634 8.001 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.073 14.349 9.638 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.758 14.859 9.783 1.00 0.00 H new ATOM 1082 N THR A 69 -3.400 9.086 5.585 1.00 0.00 N ATOM 1083 CA THR A 69 -2.225 8.724 6.349 1.00 0.00 C ATOM 1084 C THR A 69 -1.514 7.602 5.629 1.00 0.00 C ATOM 1085 O THR A 69 -2.147 6.611 5.265 1.00 0.00 O ATOM 1086 CB THR A 69 -2.644 8.287 7.758 1.00 0.00 C ATOM 1087 OG1 THR A 69 -3.706 7.355 7.684 1.00 0.00 O ATOM 1088 CG2 THR A 69 -3.125 9.477 8.590 1.00 0.00 C ATOM 0 H THR A 69 -4.283 8.941 6.075 1.00 0.00 H new ATOM 0 HA THR A 69 -1.552 9.576 6.443 1.00 0.00 H new ATOM 0 HB THR A 69 -1.769 7.840 8.230 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.635 6.844 6.851 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.415 9.133 9.583 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.321 10.207 8.679 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.983 9.939 8.102 1.00 0.00 H new ATOM 1096 N VAL A 70 -0.206 7.739 5.494 1.00 0.00 N ATOM 1097 CA VAL A 70 0.620 6.706 4.911 1.00 0.00 C ATOM 1098 C VAL A 70 1.040 5.760 6.045 1.00 0.00 C ATOM 1099 O VAL A 70 1.091 6.196 7.202 1.00 0.00 O ATOM 1100 CB VAL A 70 1.789 7.334 4.123 1.00 0.00 C ATOM 1101 CG1 VAL A 70 1.319 7.679 2.701 1.00 0.00 C ATOM 1102 CG2 VAL A 70 2.351 8.624 4.747 1.00 0.00 C ATOM 0 H VAL A 70 0.309 8.570 5.786 1.00 0.00 H new ATOM 0 HA VAL A 70 0.082 6.114 4.171 1.00 0.00 H new ATOM 0 HB VAL A 70 2.584 6.588 4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.143 8.123 2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.987 6.771 2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.493 8.388 2.753 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.168 9.000 4.132 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.563 9.375 4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.720 8.412 5.750 1.00 0.00 H new ATOM 1112 N PRO A 71 1.340 4.484 5.757 1.00 0.00 N ATOM 1113 CA PRO A 71 1.171 3.825 4.464 1.00 0.00 C ATOM 1114 C PRO A 71 -0.312 3.694 4.083 1.00 0.00 C ATOM 1115 O PRO A 71 -1.175 3.669 4.958 1.00 0.00 O ATOM 1116 CB PRO A 71 1.813 2.444 4.635 1.00 0.00 C ATOM 1117 CG PRO A 71 1.668 2.172 6.130 1.00 0.00 C ATOM 1118 CD PRO A 71 1.845 3.552 6.744 1.00 0.00 C ATOM 0 HA PRO A 71 1.633 4.399 3.661 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.305 1.687 4.037 1.00 0.00 H new ATOM 0 HB3 PRO A 71 2.858 2.445 4.326 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.695 1.744 6.370 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.422 1.471 6.488 1.00 0.00 H new ATOM 0 HD2 PRO A 71 1.295 3.638 7.681 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.893 3.749 6.970 1.00 0.00 H new ATOM 1126 N ARG A 72 -0.610 3.563 2.786 1.00 0.00 N ATOM 1127 CA ARG A 72 -1.920 3.140 2.276 1.00 0.00 C ATOM 1128 C ARG A 72 -1.660 1.934 1.388 1.00 0.00 C ATOM 1129 O ARG A 72 -1.072 2.092 0.314 1.00 0.00 O ATOM 1130 CB ARG A 72 -2.651 4.259 1.502 1.00 0.00 C ATOM 1131 CG ARG A 72 -3.096 5.478 2.330 1.00 0.00 C ATOM 1132 CD ARG A 72 -4.130 5.188 3.433 1.00 0.00 C ATOM 1133 NE ARG A 72 -5.470 4.845 2.915 1.00 0.00 N ATOM 1134 CZ ARG A 72 -6.464 4.280 3.615 1.00 0.00 C ATOM 1135 NH1 ARG A 72 -6.276 3.894 4.873 1.00 0.00 N ATOM 1136 NH2 ARG A 72 -7.652 4.123 3.054 1.00 0.00 N ATOM 0 H ARG A 72 0.066 3.752 2.046 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.583 2.894 3.105 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.996 4.608 0.704 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.532 3.828 1.026 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.214 5.924 2.791 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.513 6.223 1.652 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.768 4.367 4.051 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.213 6.061 4.080 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.656 5.057 1.935 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.367 4.026 5.317 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.041 3.465 5.395 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.807 4.431 2.094 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.412 3.694 3.581 1.00 0.00 H new ATOM 1150 N VAL A 73 -2.013 0.737 1.855 1.00 0.00 N ATOM 1151 CA VAL A 73 -1.833 -0.492 1.092 1.00 0.00 C ATOM 1152 C VAL A 73 -2.962 -0.595 0.069 1.00 0.00 C ATOM 1153 O VAL A 73 -4.140 -0.511 0.417 1.00 0.00 O ATOM 1154 CB VAL A 73 -1.781 -1.703 2.045 1.00 0.00 C ATOM 1155 CG1 VAL A 73 -1.903 -3.037 1.290 1.00 0.00 C ATOM 1156 CG2 VAL A 73 -0.471 -1.710 2.841 1.00 0.00 C ATOM 0 H VAL A 73 -2.432 0.595 2.774 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.886 -0.481 0.553 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.631 -1.604 2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.861 -3.862 2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.852 -3.067 0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.082 -3.129 0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.455 -2.573 3.507 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.373 -1.767 2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.398 -0.795 3.430 1.00 0.00 H new ATOM 1166 N PHE A 74 -2.594 -0.839 -1.184 1.00 0.00 N ATOM 1167 CA PHE A 74 -3.445 -1.093 -2.328 1.00 0.00 C ATOM 1168 C PHE A 74 -3.119 -2.494 -2.840 1.00 0.00 C ATOM 1169 O PHE A 74 -2.220 -2.686 -3.660 1.00 0.00 O ATOM 1170 CB PHE A 74 -3.192 -0.017 -3.397 1.00 0.00 C ATOM 1171 CG PHE A 74 -4.267 1.035 -3.491 1.00 0.00 C ATOM 1172 CD1 PHE A 74 -5.478 0.705 -4.120 1.00 0.00 C ATOM 1173 CD2 PHE A 74 -4.043 2.346 -3.034 1.00 0.00 C ATOM 1174 CE1 PHE A 74 -6.442 1.694 -4.353 1.00 0.00 C ATOM 1175 CE2 PHE A 74 -5.010 3.340 -3.268 1.00 0.00 C ATOM 1176 CZ PHE A 74 -6.202 3.014 -3.940 1.00 0.00 C ATOM 0 H PHE A 74 -1.607 -0.865 -1.441 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.502 -1.047 -2.065 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.241 0.471 -3.185 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -3.091 -0.503 -4.367 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.667 -0.314 -4.425 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.133 2.588 -2.506 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.368 1.442 -4.849 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -4.838 4.352 -2.932 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.935 3.782 -4.139 1.00 0.00 H new ATOM 1186 N ILE A 75 -3.876 -3.487 -2.383 1.00 0.00 N ATOM 1187 CA ILE A 75 -3.833 -4.820 -2.961 1.00 0.00 C ATOM 1188 C ILE A 75 -4.789 -4.715 -4.162 1.00 0.00 C ATOM 1189 O ILE A 75 -5.953 -4.389 -3.992 1.00 0.00 O ATOM 1190 CB ILE A 75 -4.214 -5.867 -1.876 1.00 0.00 C ATOM 1191 CG1 ILE A 75 -3.010 -6.567 -1.200 1.00 0.00 C ATOM 1192 CG2 ILE A 75 -5.089 -6.990 -2.441 1.00 0.00 C ATOM 1193 CD1 ILE A 75 -2.265 -5.751 -0.162 1.00 0.00 C ATOM 0 H ILE A 75 -4.531 -3.389 -1.607 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.856 -5.160 -3.304 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.744 -5.266 -1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.366 -7.482 -0.727 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.304 -6.863 -1.976 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.330 -7.697 -1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.010 -6.567 -2.842 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.550 -7.506 -3.236 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.443 -6.341 0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.869 -4.847 -0.625 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.947 -5.477 0.643 1.00 0.00 H new ATOM 1205 N GLY A 76 -4.296 -4.915 -5.385 1.00 0.00 N ATOM 1206 CA GLY A 76 -5.057 -4.962 -6.632 1.00 0.00 C ATOM 1207 C GLY A 76 -6.176 -3.925 -6.731 1.00 0.00 C ATOM 1208 O GLY A 76 -7.350 -4.284 -6.814 1.00 0.00 O ATOM 0 H GLY A 76 -3.298 -5.056 -5.539 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.371 -4.819 -7.467 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.490 -5.956 -6.742 1.00 0.00 H new ATOM 1212 N LYS A 77 -5.819 -2.640 -6.822 1.00 0.00 N ATOM 1213 CA LYS A 77 -6.739 -1.497 -6.862 1.00 0.00 C ATOM 1214 C LYS A 77 -7.863 -1.513 -5.814 1.00 0.00 C ATOM 1215 O LYS A 77 -8.873 -0.828 -5.988 1.00 0.00 O ATOM 1216 CB LYS A 77 -7.219 -1.347 -8.321 1.00 0.00 C ATOM 1217 CG LYS A 77 -7.002 0.063 -8.884 1.00 0.00 C ATOM 1218 CD LYS A 77 -8.278 0.914 -8.941 1.00 0.00 C ATOM 1219 CE LYS A 77 -9.284 0.365 -9.963 1.00 0.00 C ATOM 1220 NZ LYS A 77 -10.500 1.194 -10.031 1.00 0.00 N ATOM 0 H LYS A 77 -4.841 -2.355 -6.872 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.200 -0.600 -6.556 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.691 -2.067 -8.947 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.279 -1.594 -8.376 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.261 0.578 -8.272 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.586 -0.018 -9.888 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.741 0.942 -7.954 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.019 1.940 -9.201 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.817 0.323 -10.947 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.554 -0.656 -9.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.155 0.792 -10.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.959 1.214 -9.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.245 2.162 -10.312 1.00 0.00 H new ATOM 1234 N ASP A 78 -7.664 -2.210 -4.699 1.00 0.00 N ATOM 1235 CA ASP A 78 -8.567 -2.295 -3.564 1.00 0.00 C ATOM 1236 C ASP A 78 -7.751 -1.850 -2.348 1.00 0.00 C ATOM 1237 O ASP A 78 -6.892 -2.587 -1.858 1.00 0.00 O ATOM 1238 CB ASP A 78 -9.117 -3.735 -3.475 1.00 0.00 C ATOM 1239 CG ASP A 78 -10.366 -3.874 -2.609 1.00 0.00 C ATOM 1240 OD1 ASP A 78 -11.146 -2.904 -2.491 1.00 0.00 O ATOM 1241 OD2 ASP A 78 -10.666 -4.999 -2.146 1.00 0.00 O ATOM 0 H ASP A 78 -6.817 -2.762 -4.559 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.445 -1.654 -3.642 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.345 -4.088 -4.481 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.338 -4.386 -3.077 1.00 0.00 H new ATOM 1246 N CYS A 79 -7.879 -0.582 -1.941 1.00 0.00 N ATOM 1247 CA CYS A 79 -7.145 -0.065 -0.794 1.00 0.00 C ATOM 1248 C CYS A 79 -7.675 -0.741 0.461 1.00 0.00 C ATOM 1249 O CYS A 79 -8.851 -0.573 0.799 1.00 0.00 O ATOM 1250 CB CYS A 79 -7.209 1.464 -0.704 1.00 0.00 C ATOM 1251 SG CYS A 79 -5.966 2.062 0.483 1.00 0.00 S ATOM 0 H CYS A 79 -8.486 0.101 -2.394 1.00 0.00 H new ATOM 0 HA CYS A 79 -6.087 -0.299 -0.908 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -7.030 1.903 -1.685 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.205 1.778 -0.391 1.00 0.00 H new ATOM 0 HG CYS A 79 -5.053 1.152 0.651 1.00 0.00 H new ATOM 1257 N ILE A 80 -6.818 -1.482 1.165 1.00 0.00 N ATOM 1258 CA ILE A 80 -7.256 -2.377 2.224 1.00 0.00 C ATOM 1259 C ILE A 80 -7.421 -1.581 3.518 1.00 0.00 C ATOM 1260 O ILE A 80 -8.151 -2.012 4.409 1.00 0.00 O ATOM 1261 CB ILE A 80 -6.257 -3.556 2.355 1.00 0.00 C ATOM 1262 CG1 ILE A 80 -4.982 -3.235 3.157 1.00 0.00 C ATOM 1263 CG2 ILE A 80 -5.807 -4.069 0.977 1.00 0.00 C ATOM 1264 CD1 ILE A 80 -5.145 -3.401 4.671 1.00 0.00 C ATOM 0 H ILE A 80 -5.809 -1.476 1.015 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.227 -2.813 1.989 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.823 -4.310 2.901 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.176 -3.884 2.815 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.679 -2.210 2.944 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.108 -4.895 1.107 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.675 -4.414 0.416 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.319 -3.262 0.430 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.206 -3.157 5.167 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.928 -2.732 5.028 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.418 -4.432 4.897 1.00 0.00 H new ATOM 1276 N GLY A 81 -6.758 -0.431 3.601 1.00 0.00 N ATOM 1277 CA GLY A 81 -6.616 0.380 4.782 1.00 0.00 C ATOM 1278 C GLY A 81 -5.174 0.874 4.866 1.00 0.00 C ATOM 1279 O GLY A 81 -4.425 0.790 3.884 1.00 0.00 O ATOM 0 H GLY A 81 -6.283 -0.027 2.794 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.303 1.225 4.745 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.870 -0.198 5.670 1.00 0.00 H new ATOM 1283 N GLY A 82 -4.800 1.447 6.011 1.00 0.00 N ATOM 1284 CA GLY A 82 -3.528 2.129 6.172 1.00 0.00 C ATOM 1285 C GLY A 82 -2.570 1.316 7.022 1.00 0.00 C ATOM 1286 O GLY A 82 -1.749 0.567 6.496 1.00 0.00 O ATOM 0 H GLY A 82 -5.377 1.448 6.852 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.084 2.311 5.193 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.691 3.103 6.634 1.00 0.00 H new ATOM 1290 N CYS A 83 -2.678 1.477 8.340 1.00 0.00 N ATOM 1291 CA CYS A 83 -1.743 0.949 9.320 1.00 0.00 C ATOM 1292 C CYS A 83 -2.517 0.041 10.276 1.00 0.00 C ATOM 1293 O CYS A 83 -2.305 -1.168 10.277 1.00 0.00 O ATOM 1294 CB CYS A 83 -0.993 2.085 10.055 1.00 0.00 C ATOM 1295 SG CYS A 83 -0.969 3.676 9.160 1.00 0.00 S ATOM 0 H CYS A 83 -3.446 1.997 8.764 1.00 0.00 H new ATOM 0 HA CYS A 83 -0.969 0.363 8.824 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -1.456 2.238 11.030 1.00 0.00 H new ATOM 0 HB3 CYS A 83 0.034 1.768 10.236 1.00 0.00 H new ATOM 0 HG CYS A 83 -0.320 4.558 9.860 1.00 0.00 H new ATOM 1301 N SER A 84 -3.454 0.602 11.045 1.00 0.00 N ATOM 1302 CA SER A 84 -4.259 -0.142 12.005 1.00 0.00 C ATOM 1303 C SER A 84 -5.055 -1.264 11.329 1.00 0.00 C ATOM 1304 O SER A 84 -5.136 -2.365 11.875 1.00 0.00 O ATOM 1305 CB SER A 84 -5.194 0.834 12.727 1.00 0.00 C ATOM 1306 OG SER A 84 -4.459 1.904 13.297 1.00 0.00 O ATOM 0 H SER A 84 -3.674 1.598 11.015 1.00 0.00 H new ATOM 0 HA SER A 84 -3.596 -0.619 12.727 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.931 1.225 12.026 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.744 0.308 13.507 1.00 0.00 H new ATOM 0 HG SER A 84 -5.073 2.517 13.752 1.00 0.00 H new ATOM 1312 N ASP A 85 -5.599 -1.017 10.132 1.00 0.00 N ATOM 1313 CA ASP A 85 -6.245 -2.045 9.312 1.00 0.00 C ATOM 1314 C ASP A 85 -5.231 -3.132 8.999 1.00 0.00 C ATOM 1315 O ASP A 85 -5.444 -4.306 9.283 1.00 0.00 O ATOM 1316 CB ASP A 85 -6.730 -1.472 7.971 1.00 0.00 C ATOM 1317 CG ASP A 85 -8.186 -1.045 7.997 1.00 0.00 C ATOM 1318 OD1 ASP A 85 -9.059 -1.931 8.092 1.00 0.00 O ATOM 1319 OD2 ASP A 85 -8.446 0.177 7.885 1.00 0.00 O ATOM 0 H ASP A 85 -5.603 -0.091 9.703 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.098 -2.431 9.870 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.111 -0.615 7.704 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.591 -2.221 7.191 1.00 0.00 H new ATOM 1324 N LEU A 86 -4.119 -2.721 8.392 1.00 0.00 N ATOM 1325 CA LEU A 86 -3.123 -3.592 7.796 1.00 0.00 C ATOM 1326 C LEU A 86 -2.581 -4.586 8.827 1.00 0.00 C ATOM 1327 O LEU A 86 -2.427 -5.766 8.513 1.00 0.00 O ATOM 1328 CB LEU A 86 -2.060 -2.681 7.153 1.00 0.00 C ATOM 1329 CG LEU A 86 -1.037 -3.317 6.200 1.00 0.00 C ATOM 1330 CD1 LEU A 86 0.069 -4.065 6.927 1.00 0.00 C ATOM 1331 CD2 LEU A 86 -1.670 -4.235 5.146 1.00 0.00 C ATOM 0 H LEU A 86 -3.884 -1.733 8.302 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.542 -4.227 7.015 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.582 -1.896 6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.508 -2.195 7.957 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.595 -2.466 5.682 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.759 -4.491 6.199 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.608 -3.376 7.578 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.366 -4.865 7.526 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.889 -4.649 4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.201 -5.047 5.643 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.370 -3.662 4.538 1.00 0.00 H new ATOM 1343 N VAL A 87 -2.369 -4.148 10.070 1.00 0.00 N ATOM 1344 CA VAL A 87 -1.967 -4.983 11.172 1.00 0.00 C ATOM 1345 C VAL A 87 -3.058 -6.007 11.517 1.00 0.00 C ATOM 1346 O VAL A 87 -2.696 -7.156 11.754 1.00 0.00 O ATOM 1347 CB VAL A 87 -1.617 -4.044 12.338 1.00 0.00 C ATOM 1348 CG1 VAL A 87 -1.285 -4.832 13.597 1.00 0.00 C ATOM 1349 CG2 VAL A 87 -0.403 -3.155 12.017 1.00 0.00 C ATOM 0 H VAL A 87 -2.480 -3.168 10.331 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.093 -5.584 10.922 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.498 -3.422 12.496 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.042 -4.142 14.405 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.144 -5.438 13.884 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.431 -5.482 13.405 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.191 -2.508 12.868 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.464 -3.783 11.814 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.621 -2.544 11.141 1.00 0.00 H new ATOM 1359 N SER A 88 -4.358 -5.662 11.517 1.00 0.00 N ATOM 1360 CA SER A 88 -5.412 -6.638 11.836 1.00 0.00 C ATOM 1361 C SER A 88 -5.309 -7.705 10.760 1.00 0.00 C ATOM 1362 O SER A 88 -5.270 -8.892 11.062 1.00 0.00 O ATOM 1363 CB SER A 88 -6.839 -6.100 11.657 1.00 0.00 C ATOM 1364 OG SER A 88 -7.525 -5.991 12.889 1.00 0.00 O ATOM 0 H SER A 88 -4.700 -4.725 11.302 1.00 0.00 H new ATOM 0 HA SER A 88 -5.268 -6.947 12.871 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.800 -5.122 11.177 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.394 -6.760 10.991 1.00 0.00 H new ATOM 0 HG SER A 88 -8.428 -5.644 12.731 1.00 0.00 H new ATOM 1370 N LEU A 89 -5.294 -7.267 9.497 1.00 0.00 N ATOM 1371 CA LEU A 89 -5.261 -8.156 8.368 1.00 0.00 C ATOM 1372 C LEU A 89 -4.052 -9.088 8.483 1.00 0.00 C ATOM 1373 O LEU A 89 -4.201 -10.261 8.152 1.00 0.00 O ATOM 1374 CB LEU A 89 -5.300 -7.350 7.055 1.00 0.00 C ATOM 1375 CG LEU A 89 -6.710 -6.943 6.585 1.00 0.00 C ATOM 1376 CD1 LEU A 89 -7.178 -5.601 7.139 1.00 0.00 C ATOM 1377 CD2 LEU A 89 -6.753 -6.905 5.052 1.00 0.00 C ATOM 0 H LEU A 89 -5.305 -6.279 9.245 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.146 -8.792 8.358 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.701 -6.448 7.181 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.827 -7.940 6.270 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.393 -7.697 6.975 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.178 -5.382 6.765 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.199 -5.644 8.228 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.491 -4.817 6.821 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.751 -6.617 4.723 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.027 -6.180 4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.511 -7.892 4.657 1.00 0.00 H new ATOM 1389 N GLN A 90 -2.889 -8.634 8.965 1.00 0.00 N ATOM 1390 CA GLN A 90 -1.764 -9.528 9.223 1.00 0.00 C ATOM 1391 C GLN A 90 -2.145 -10.533 10.323 1.00 0.00 C ATOM 1392 O GLN A 90 -2.034 -11.740 10.102 1.00 0.00 O ATOM 1393 CB GLN A 90 -0.494 -8.739 9.602 1.00 0.00 C ATOM 1394 CG GLN A 90 0.727 -9.678 9.720 1.00 0.00 C ATOM 1395 CD GLN A 90 1.925 -9.087 10.461 1.00 0.00 C ATOM 1396 OE1 GLN A 90 1.775 -8.263 11.356 1.00 0.00 O ATOM 1397 NE2 GLN A 90 3.137 -9.508 10.127 1.00 0.00 N ATOM 0 H GLN A 90 -2.707 -7.654 9.182 1.00 0.00 H new ATOM 0 HA GLN A 90 -1.537 -10.076 8.309 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.298 -7.975 8.850 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.652 -8.221 10.548 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.417 -10.590 10.230 1.00 0.00 H new ATOM 0 HG3 GLN A 90 1.044 -9.965 8.717 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.251 -10.194 9.381 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.955 -9.146 10.616 1.00 0.00 H new ATOM 1406 N GLN A 91 -2.533 -10.050 11.508 1.00 0.00 N ATOM 1407 CA GLN A 91 -2.652 -10.824 12.732 1.00 0.00 C ATOM 1408 C GLN A 91 -3.782 -11.852 12.640 1.00 0.00 C ATOM 1409 O GLN A 91 -3.595 -12.992 13.064 1.00 0.00 O ATOM 1410 CB GLN A 91 -2.908 -9.835 13.883 1.00 0.00 C ATOM 1411 CG GLN A 91 -1.874 -9.942 15.000 1.00 0.00 C ATOM 1412 CD GLN A 91 -2.140 -10.993 16.082 1.00 0.00 C ATOM 1413 OE1 GLN A 91 -1.872 -10.736 17.257 1.00 0.00 O ATOM 1414 NE2 GLN A 91 -2.610 -12.186 15.755 1.00 0.00 N ATOM 0 H GLN A 91 -2.781 -9.069 11.638 1.00 0.00 H new ATOM 0 HA GLN A 91 -1.734 -11.386 12.904 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.906 -8.819 13.489 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.901 -10.015 14.296 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.905 -10.156 14.548 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.793 -8.968 15.483 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -2.832 -12.398 14.782 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -2.751 -12.894 16.476 1.00 0.00 H new ATOM 1423 N SER A 92 -4.928 -11.452 12.090 1.00 0.00 N ATOM 1424 CA SER A 92 -6.061 -12.293 11.739 1.00 0.00 C ATOM 1425 C SER A 92 -5.613 -13.243 10.631 1.00 0.00 C ATOM 1426 O SER A 92 -5.722 -14.465 10.753 1.00 0.00 O ATOM 1427 CB SER A 92 -7.212 -11.367 11.295 1.00 0.00 C ATOM 1428 OG SER A 92 -8.350 -12.066 10.844 1.00 0.00 O ATOM 0 H SER A 92 -5.096 -10.471 11.866 1.00 0.00 H new ATOM 0 HA SER A 92 -6.415 -12.896 12.575 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.496 -10.726 12.130 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.856 -10.714 10.498 1.00 0.00 H new ATOM 0 HG SER A 92 -9.043 -11.426 10.579 1.00 0.00 H new ATOM 1434 N GLY A 93 -5.034 -12.680 9.569 1.00 0.00 N ATOM 1435 CA GLY A 93 -4.700 -13.372 8.341 1.00 0.00 C ATOM 1436 C GLY A 93 -5.565 -12.896 7.179 1.00 0.00 C ATOM 1437 O GLY A 93 -5.380 -13.399 6.070 1.00 0.00 O ATOM 0 H GLY A 93 -4.779 -11.693 9.548 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.649 -13.209 8.104 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.833 -14.445 8.479 1.00 0.00 H new ATOM 1441 N GLU A 94 -6.471 -11.919 7.372 1.00 0.00 N ATOM 1442 CA GLU A 94 -7.312 -11.450 6.278 1.00 0.00 C ATOM 1443 C GLU A 94 -6.458 -10.827 5.155 1.00 0.00 C ATOM 1444 O GLU A 94 -6.869 -10.829 3.992 1.00 0.00 O ATOM 1445 CB GLU A 94 -8.360 -10.503 6.876 1.00 0.00 C ATOM 1446 CG GLU A 94 -9.271 -9.817 5.847 1.00 0.00 C ATOM 1447 CD GLU A 94 -10.274 -8.843 6.476 1.00 0.00 C ATOM 1448 OE1 GLU A 94 -10.192 -8.555 7.690 1.00 0.00 O ATOM 1449 OE2 GLU A 94 -11.133 -8.335 5.714 1.00 0.00 O ATOM 0 H GLU A 94 -6.631 -11.451 8.264 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.838 -12.272 5.793 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.982 -11.065 7.573 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.847 -9.735 7.455 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.654 -9.278 5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.816 -10.579 5.290 1.00 0.00 H new ATOM 1456 N LEU A 95 -5.235 -10.372 5.474 1.00 0.00 N ATOM 1457 CA LEU A 95 -4.262 -9.865 4.512 1.00 0.00 C ATOM 1458 C LEU A 95 -4.014 -10.888 3.426 1.00 0.00 C ATOM 1459 O LEU A 95 -4.019 -10.521 2.258 1.00 0.00 O ATOM 1460 CB LEU A 95 -2.925 -9.502 5.198 1.00 0.00 C ATOM 1461 CG LEU A 95 -1.992 -8.556 4.417 1.00 0.00 C ATOM 1462 CD1 LEU A 95 -2.723 -7.361 3.785 1.00 0.00 C ATOM 1463 CD2 LEU A 95 -0.924 -8.036 5.393 1.00 0.00 C ATOM 0 H LEU A 95 -4.894 -10.349 6.435 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.678 -8.959 4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.148 -9.044 6.162 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.383 -10.426 5.402 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.556 -9.122 3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.006 -6.737 3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.478 -7.724 3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.204 -6.773 4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.248 -7.362 4.867 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.408 -7.500 6.210 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.359 -8.877 5.795 1.00 0.00 H new ATOM 1475 N LEU A 96 -3.807 -12.152 3.808 1.00 0.00 N ATOM 1476 CA LEU A 96 -3.461 -13.220 2.888 1.00 0.00 C ATOM 1477 C LEU A 96 -4.596 -13.416 1.900 1.00 0.00 C ATOM 1478 O LEU A 96 -4.355 -13.377 0.696 1.00 0.00 O ATOM 1479 CB LEU A 96 -3.124 -14.523 3.618 1.00 0.00 C ATOM 1480 CG LEU A 96 -1.756 -14.429 4.320 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -1.879 -13.943 5.769 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -1.076 -15.791 4.276 1.00 0.00 C ATOM 0 H LEU A 96 -3.878 -12.458 4.779 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.559 -12.932 2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.899 -14.742 4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.115 -15.350 2.907 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.154 -13.692 3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.889 -13.893 6.221 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.335 -12.953 5.783 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.501 -14.637 6.334 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.107 -15.730 4.772 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.699 -16.525 4.786 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.934 -16.094 3.238 1.00 0.00 H new ATOM 1494 N THR A 97 -5.826 -13.565 2.388 1.00 0.00 N ATOM 1495 CA THR A 97 -7.020 -13.683 1.564 1.00 0.00 C ATOM 1496 C THR A 97 -7.108 -12.504 0.585 1.00 0.00 C ATOM 1497 O THR A 97 -7.339 -12.719 -0.608 1.00 0.00 O ATOM 1498 CB THR A 97 -8.248 -13.767 2.490 1.00 0.00 C ATOM 1499 OG1 THR A 97 -7.973 -14.651 3.561 1.00 0.00 O ATOM 1500 CG2 THR A 97 -9.497 -14.261 1.755 1.00 0.00 C ATOM 0 H THR A 97 -6.021 -13.608 3.388 1.00 0.00 H new ATOM 0 HA THR A 97 -6.981 -14.589 0.960 1.00 0.00 H new ATOM 0 HB THR A 97 -8.446 -12.760 2.856 1.00 0.00 H new ATOM 0 HG1 THR A 97 -8.754 -14.703 4.151 1.00 0.00 H new ATOM 0 HG21 THR A 97 -10.335 -14.303 2.450 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.735 -13.576 0.941 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.311 -15.256 1.350 1.00 0.00 H new ATOM 1508 N ARG A 98 -6.876 -11.273 1.063 1.00 0.00 N ATOM 1509 CA ARG A 98 -6.893 -10.062 0.250 1.00 0.00 C ATOM 1510 C ARG A 98 -5.938 -10.196 -0.940 1.00 0.00 C ATOM 1511 O ARG A 98 -6.360 -10.011 -2.074 1.00 0.00 O ATOM 1512 CB ARG A 98 -6.588 -8.838 1.130 1.00 0.00 C ATOM 1513 CG ARG A 98 -6.966 -7.520 0.436 1.00 0.00 C ATOM 1514 CD ARG A 98 -8.014 -6.721 1.208 1.00 0.00 C ATOM 1515 NE ARG A 98 -9.316 -7.395 1.168 1.00 0.00 N ATOM 1516 CZ ARG A 98 -10.096 -7.751 2.193 1.00 0.00 C ATOM 1517 NH1 ARG A 98 -9.963 -7.216 3.404 1.00 0.00 N ATOM 1518 NH2 ARG A 98 -11.017 -8.678 1.967 1.00 0.00 N ATOM 0 H ARG A 98 -6.668 -11.095 2.045 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.888 -9.917 -0.171 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.134 -8.922 2.070 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.527 -8.825 1.378 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.071 -6.911 0.312 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.345 -7.737 -0.563 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.695 -6.598 2.243 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.103 -5.722 0.781 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.672 -7.621 0.239 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.247 -6.509 3.574 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.577 -7.513 4.163 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.109 -9.090 1.038 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.634 -8.979 2.722 1.00 0.00 H new ATOM 1532 N LEU A 99 -4.651 -10.480 -0.724 1.00 0.00 N ATOM 1533 CA LEU A 99 -3.669 -10.530 -1.818 1.00 0.00 C ATOM 1534 C LEU A 99 -3.808 -11.797 -2.659 1.00 0.00 C ATOM 1535 O LEU A 99 -3.559 -11.772 -3.860 1.00 0.00 O ATOM 1536 CB LEU A 99 -2.226 -10.364 -1.327 1.00 0.00 C ATOM 1537 CG LEU A 99 -1.863 -11.005 0.023 1.00 0.00 C ATOM 1538 CD1 LEU A 99 -1.018 -12.253 -0.144 1.00 0.00 C ATOM 1539 CD2 LEU A 99 -1.194 -9.966 0.924 1.00 0.00 C ATOM 0 H LEU A 99 -4.262 -10.679 0.197 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.896 -9.676 -2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.562 -10.777 -2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.012 -9.297 -1.262 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.782 -11.336 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.787 -12.670 0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.568 -12.989 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.091 -11.999 -0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.938 -10.424 1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.287 -9.598 0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.879 -9.135 1.092 1.00 0.00 H new ATOM 1551 N LYS A 100 -4.239 -12.913 -2.086 1.00 0.00 N ATOM 1552 CA LYS A 100 -4.613 -14.086 -2.874 1.00 0.00 C ATOM 1553 C LYS A 100 -5.727 -13.784 -3.881 1.00 0.00 C ATOM 1554 O LYS A 100 -5.705 -14.338 -4.978 1.00 0.00 O ATOM 1555 CB LYS A 100 -4.999 -15.215 -1.930 1.00 0.00 C ATOM 1556 CG LYS A 100 -3.735 -15.863 -1.338 1.00 0.00 C ATOM 1557 CD LYS A 100 -4.079 -17.073 -0.447 1.00 0.00 C ATOM 1558 CE LYS A 100 -3.838 -18.417 -1.150 1.00 0.00 C ATOM 1559 NZ LYS A 100 -4.687 -18.600 -2.345 1.00 0.00 N ATOM 0 H LYS A 100 -4.339 -13.033 -1.078 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.753 -14.392 -3.470 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.630 -14.830 -1.128 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.584 -15.963 -2.465 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.077 -16.182 -2.146 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.187 -15.124 -0.753 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.479 -17.031 0.462 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.124 -17.009 -0.143 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -2.790 -18.487 -1.441 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.028 -19.228 -0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.482 -19.523 -2.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.689 -18.562 -2.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.489 -17.844 -3.031 1.00 0.00 H new ATOM 1573 N GLN A 101 -6.619 -12.840 -3.584 1.00 0.00 N ATOM 1574 CA GLN A 101 -7.636 -12.316 -4.507 1.00 0.00 C ATOM 1575 C GLN A 101 -7.048 -11.666 -5.776 1.00 0.00 C ATOM 1576 O GLN A 101 -7.797 -11.321 -6.697 1.00 0.00 O ATOM 1577 CB GLN A 101 -8.516 -11.311 -3.743 1.00 0.00 C ATOM 1578 CG GLN A 101 -9.959 -11.204 -4.248 1.00 0.00 C ATOM 1579 CD GLN A 101 -10.857 -10.546 -3.202 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -11.180 -9.364 -3.272 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -11.282 -11.295 -2.196 1.00 0.00 N ATOM 0 H GLN A 101 -6.658 -12.401 -2.664 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.226 -13.161 -4.862 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.535 -11.593 -2.690 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -8.052 -10.326 -3.801 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.983 -10.624 -5.170 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.339 -12.197 -4.486 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -11.011 -12.277 -2.141 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -11.880 -10.890 -1.476 1.00 0.00 H new ATOM 1590 N ILE A 102 -5.726 -11.475 -5.841 1.00 0.00 N ATOM 1591 CA ILE A 102 -4.981 -10.928 -6.977 1.00 0.00 C ATOM 1592 C ILE A 102 -3.923 -11.934 -7.476 1.00 0.00 C ATOM 1593 O ILE A 102 -3.068 -11.594 -8.295 1.00 0.00 O ATOM 1594 CB ILE A 102 -4.422 -9.529 -6.612 1.00 0.00 C ATOM 1595 CG1 ILE A 102 -3.119 -9.524 -5.802 1.00 0.00 C ATOM 1596 CG2 ILE A 102 -5.381 -8.702 -5.760 1.00 0.00 C ATOM 1597 CD1 ILE A 102 -2.091 -8.584 -6.415 1.00 0.00 C ATOM 0 H ILE A 102 -5.115 -11.711 -5.059 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.646 -10.776 -7.827 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.259 -9.112 -7.606 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.327 -9.220 -4.776 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.711 -10.534 -5.759 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -4.930 -7.735 -5.539 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.314 -8.552 -6.304 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.585 -9.228 -4.827 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.179 -8.603 -5.818 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -1.866 -8.905 -7.432 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -2.491 -7.570 -6.434 1.00 0.00 H new ATOM 1609 N GLY A 103 -3.950 -13.171 -6.963 1.00 0.00 N ATOM 1610 CA GLY A 103 -3.057 -14.254 -7.349 1.00 0.00 C ATOM 1611 C GLY A 103 -1.604 -14.006 -6.935 1.00 0.00 C ATOM 1612 O GLY A 103 -0.687 -14.337 -7.684 1.00 0.00 O ATOM 0 H GLY A 103 -4.619 -13.447 -6.244 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.405 -15.183 -6.897 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -3.103 -14.388 -8.430 1.00 0.00 H new ATOM 1616 N ALA A 104 -1.390 -13.399 -5.768 1.00 0.00 N ATOM 1617 CA ALA A 104 -0.080 -13.108 -5.216 1.00 0.00 C ATOM 1618 C ALA A 104 0.640 -14.384 -4.845 1.00 0.00 C ATOM 1619 O ALA A 104 1.746 -14.574 -5.323 1.00 0.00 O ATOM 1620 CB ALA A 104 -0.297 -12.242 -3.973 1.00 0.00 C ATOM 0 H ALA A 104 -2.153 -13.089 -5.166 1.00 0.00 H new ATOM 0 HA ALA A 104 0.536 -12.589 -5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 104 0.667 -12.000 -3.526 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.808 -11.321 -4.256 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.905 -12.787 -3.251 1.00 0.00 H new ATOM 1626 N LEU A 105 0.128 -15.184 -3.913 1.00 0.00 N ATOM 1627 CA LEU A 105 0.998 -16.148 -3.291 1.00 0.00 C ATOM 1628 C LEU A 105 1.327 -17.272 -4.262 1.00 0.00 C ATOM 1629 O LEU A 105 0.473 -17.734 -5.027 1.00 0.00 O ATOM 1630 CB LEU A 105 0.382 -16.696 -2.021 1.00 0.00 C ATOM 1631 CG LEU A 105 -0.075 -15.667 -0.974 1.00 0.00 C ATOM 1632 CD1 LEU A 105 -0.555 -16.371 0.292 1.00 0.00 C ATOM 1633 CD2 LEU A 105 1.056 -14.704 -0.600 1.00 0.00 C ATOM 0 H LEU A 105 -0.840 -15.180 -3.591 1.00 0.00 H new ATOM 0 HA LEU A 105 1.926 -15.644 -3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.478 -17.306 -2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.107 -17.361 -1.551 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.892 -15.098 -1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.875 -15.628 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.392 -17.025 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.259 -16.964 0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.696 -13.991 0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.892 -15.268 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.385 -14.167 -1.489 1.00 0.00 H new ATOM 1645 N GLN A 106 2.566 -17.715 -4.171 1.00 0.00 N ATOM 1646 CA GLN A 106 3.206 -18.742 -4.966 1.00 0.00 C ATOM 1647 C GLN A 106 4.201 -19.457 -4.072 1.00 0.00 C ATOM 1648 O GLN A 106 4.308 -20.689 -4.191 1.00 0.00 O ATOM 1649 CB GLN A 106 3.877 -18.098 -6.187 1.00 0.00 C ATOM 1650 CG GLN A 106 4.580 -19.164 -7.034 1.00 0.00 C ATOM 1651 CD GLN A 106 4.937 -18.683 -8.439 1.00 0.00 C ATOM 1652 OE1 GLN A 106 5.680 -17.729 -8.647 1.00 0.00 O ATOM 1653 NE2 GLN A 106 4.395 -19.329 -9.459 1.00 0.00 N ATOM 1654 OXT GLN A 106 4.811 -18.785 -3.207 1.00 0.00 O ATOM 0 H GLN A 106 3.206 -17.330 -3.476 1.00 0.00 H new ATOM 0 HA GLN A 106 2.487 -19.468 -5.345 1.00 0.00 H new ATOM 0 HB2 GLN A 106 3.131 -17.580 -6.789 1.00 0.00 H new ATOM 0 HB3 GLN A 106 4.599 -17.349 -5.861 1.00 0.00 H new ATOM 0 HG2 GLN A 106 5.490 -19.481 -6.524 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.936 -20.040 -7.110 1.00 0.00 H new ATOM 0 HE21 GLN A 106 3.777 -20.123 -9.290 1.00 0.00 H new ATOM 0 HE22 GLN A 106 4.595 -19.033 -10.414 1.00 0.00 H new