USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 595 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 5 GLN : amide:sc= 0.0639 K(o=0.14,f=-0.53) USER MOD Set 1.2: A 75 LYS NZ :NH3+ 143:sc= 0.0742 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 19:sc= 0.787 USER MOD Single : A 17 ASN : amide:sc=-0.00411 X(o=-0.0041,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= -0.0268 (180deg=-0.249) USER MOD Single : A 31 LYS NZ :NH3+ 134:sc= 0.275 (180deg=-3.45!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.01 USER MOD Single : A 41 SER OG : rot 180:sc= 0.01 USER MOD Single : A 43 SER OG : rot 164:sc= -0.808 USER MOD Single : A 44 MET CE :methyl -129:sc= -3.29! (180deg=-4.45!) USER MOD Single : A 58 LYS NZ :NH3+ -159:sc= 1.78 (180deg=0.0203) USER MOD Single : A 65 LYS NZ :NH3+ 156:sc= -1.06 (180deg=-2.25!) USER MOD Single : A 66 ASN : amide:sc= 0.736 K(o=0.74,f=-0.45) USER MOD Single : A 68 LYS NZ :NH3+ -162:sc= 0.683 (180deg=0.489) USER MOD Single : A 69 THR OG1 : rot -111:sc= -0.284 USER MOD Single : A 74 THR OG1 : rot 90:sc= 1.19 USER MOD Single : A 76 TYR OH : rot 30:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= -3.19! K(o=-3.2!,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 40 N THR A 4 10.374 -7.981 -1.802 1.00 0.00 N ATOM 41 CA THR A 4 9.683 -8.212 -3.055 1.00 0.00 C ATOM 42 C THR A 4 8.170 -8.147 -2.859 1.00 0.00 C ATOM 43 O THR A 4 7.690 -7.763 -1.785 1.00 0.00 O ATOM 44 CB THR A 4 10.076 -9.565 -3.660 1.00 0.00 C ATOM 45 OG1 THR A 4 11.281 -10.034 -3.044 1.00 0.00 O ATOM 46 CG2 THR A 4 10.286 -9.430 -5.162 1.00 0.00 C ATOM 0 HA THR A 4 9.981 -7.425 -3.747 1.00 0.00 H new ATOM 0 HB THR A 4 9.273 -10.280 -3.480 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.414 -9.570 -2.191 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.565 -10.398 -5.579 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.363 -9.086 -5.629 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.081 -8.709 -5.355 1.00 0.00 H new ATOM 54 N GLN A 5 7.427 -8.544 -3.885 1.00 0.00 N ATOM 55 CA GLN A 5 5.993 -8.318 -3.929 1.00 0.00 C ATOM 56 C GLN A 5 5.244 -9.144 -2.884 1.00 0.00 C ATOM 57 O GLN A 5 4.415 -8.604 -2.162 1.00 0.00 O ATOM 58 CB GLN A 5 5.454 -8.621 -5.327 1.00 0.00 C ATOM 59 CG GLN A 5 4.137 -7.931 -5.632 1.00 0.00 C ATOM 60 CD GLN A 5 3.653 -8.204 -7.036 1.00 0.00 C ATOM 61 OE1 GLN A 5 4.031 -7.508 -7.977 1.00 0.00 O ATOM 62 NE2 GLN A 5 2.797 -9.199 -7.184 1.00 0.00 N ATOM 0 H GLN A 5 7.800 -9.027 -4.702 1.00 0.00 H new ATOM 0 HA GLN A 5 5.823 -7.267 -3.694 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.194 -8.316 -6.067 1.00 0.00 H new ATOM 0 HB3 GLN A 5 5.323 -9.698 -5.432 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.382 -8.264 -4.920 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.253 -6.856 -5.494 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.511 -9.750 -6.375 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.422 -9.416 -8.107 1.00 0.00 H new ATOM 71 N GLU A 6 5.544 -10.438 -2.783 1.00 0.00 N ATOM 72 CA GLU A 6 4.792 -11.328 -1.893 1.00 0.00 C ATOM 73 C GLU A 6 4.922 -10.890 -0.437 1.00 0.00 C ATOM 74 O GLU A 6 3.944 -10.869 0.308 1.00 0.00 O ATOM 75 CB GLU A 6 5.235 -12.796 -2.044 1.00 0.00 C ATOM 76 CG GLU A 6 6.713 -13.056 -1.777 1.00 0.00 C ATOM 77 CD GLU A 6 7.591 -12.759 -2.975 1.00 0.00 C ATOM 78 OE1 GLU A 6 7.875 -11.578 -3.233 1.00 0.00 O ATOM 79 OE2 GLU A 6 7.993 -13.712 -3.671 1.00 0.00 O ATOM 0 H GLU A 6 6.296 -10.893 -3.301 1.00 0.00 H new ATOM 0 HA GLU A 6 3.745 -11.259 -2.188 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.645 -13.409 -1.363 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.001 -13.128 -3.055 1.00 0.00 H new ATOM 0 HG2 GLU A 6 7.038 -12.445 -0.935 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.846 -14.098 -1.485 1.00 0.00 H new ATOM 86 N GLU A 7 6.130 -10.513 -0.053 1.00 0.00 N ATOM 87 CA GLU A 7 6.410 -10.123 1.318 1.00 0.00 C ATOM 88 C GLU A 7 5.731 -8.800 1.649 1.00 0.00 C ATOM 89 O GLU A 7 5.007 -8.685 2.642 1.00 0.00 O ATOM 90 CB GLU A 7 7.916 -9.989 1.505 1.00 0.00 C ATOM 91 CG GLU A 7 8.344 -9.803 2.950 1.00 0.00 C ATOM 92 CD GLU A 7 8.039 -11.015 3.808 1.00 0.00 C ATOM 93 OE1 GLU A 7 8.787 -12.012 3.726 1.00 0.00 O ATOM 94 OE2 GLU A 7 7.052 -10.980 4.570 1.00 0.00 O ATOM 0 H GLU A 7 6.937 -10.469 -0.676 1.00 0.00 H new ATOM 0 HA GLU A 7 6.021 -10.888 1.990 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.402 -10.878 1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.271 -9.141 0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.414 -9.598 2.985 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.838 -8.931 3.366 1.00 0.00 H new ATOM 101 N ILE A 8 5.960 -7.804 0.800 1.00 0.00 N ATOM 102 CA ILE A 8 5.422 -6.471 1.019 1.00 0.00 C ATOM 103 C ILE A 8 3.892 -6.502 0.934 1.00 0.00 C ATOM 104 O ILE A 8 3.211 -5.814 1.688 1.00 0.00 O ATOM 105 CB ILE A 8 6.024 -5.463 0.000 1.00 0.00 C ATOM 106 CG1 ILE A 8 5.912 -4.007 0.490 1.00 0.00 C ATOM 107 CG2 ILE A 8 5.371 -5.614 -1.362 1.00 0.00 C ATOM 108 CD1 ILE A 8 4.533 -3.389 0.368 1.00 0.00 C ATOM 0 H ILE A 8 6.517 -7.898 -0.049 1.00 0.00 H new ATOM 0 HA ILE A 8 5.701 -6.136 2.018 1.00 0.00 H new ATOM 0 HB ILE A 8 7.084 -5.698 -0.091 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.219 -3.968 1.535 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.618 -3.396 -0.073 1.00 0.00 H new ATOM 0 HG21 ILE A 8 5.809 -4.898 -2.057 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.533 -6.626 -1.733 1.00 0.00 H new ATOM 0 HG23 ILE A 8 4.301 -5.427 -1.275 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.559 -2.364 0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.226 -3.389 -0.678 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.821 -3.969 0.955 1.00 0.00 H new ATOM 120 N VAL A 9 3.363 -7.332 0.034 1.00 0.00 N ATOM 121 CA VAL A 9 1.923 -7.469 -0.135 1.00 0.00 C ATOM 122 C VAL A 9 1.263 -7.968 1.144 1.00 0.00 C ATOM 123 O VAL A 9 0.216 -7.462 1.528 1.00 0.00 O ATOM 124 CB VAL A 9 1.584 -8.392 -1.335 1.00 0.00 C ATOM 125 CG1 VAL A 9 0.333 -9.229 -1.089 1.00 0.00 C ATOM 126 CG2 VAL A 9 1.400 -7.561 -2.598 1.00 0.00 C ATOM 0 H VAL A 9 3.916 -7.920 -0.590 1.00 0.00 H new ATOM 0 HA VAL A 9 1.521 -6.480 -0.353 1.00 0.00 H new ATOM 0 HB VAL A 9 2.422 -9.078 -1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.139 -9.857 -1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.483 -9.859 -0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.519 -8.570 -0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.162 -8.218 -3.435 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.586 -6.851 -2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.320 -7.018 -2.813 1.00 0.00 H new ATOM 136 N ALA A 10 1.878 -8.933 1.815 1.00 0.00 N ATOM 137 CA ALA A 10 1.335 -9.431 3.073 1.00 0.00 C ATOM 138 C ALA A 10 1.300 -8.321 4.113 1.00 0.00 C ATOM 139 O ALA A 10 0.307 -8.152 4.823 1.00 0.00 O ATOM 140 CB ALA A 10 2.141 -10.607 3.592 1.00 0.00 C ATOM 0 H ALA A 10 2.743 -9.382 1.514 1.00 0.00 H new ATOM 0 HA ALA A 10 0.317 -9.773 2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.712 -10.956 4.531 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.119 -11.415 2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.172 -10.296 3.758 1.00 0.00 H new ATOM 146 N GLY A 11 2.389 -7.561 4.186 1.00 0.00 N ATOM 147 CA GLY A 11 2.461 -6.446 5.112 1.00 0.00 C ATOM 148 C GLY A 11 1.455 -5.360 4.780 1.00 0.00 C ATOM 149 O GLY A 11 0.766 -4.849 5.662 1.00 0.00 O ATOM 0 H GLY A 11 3.225 -7.699 3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.284 -6.806 6.126 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.466 -6.025 5.094 1.00 0.00 H new ATOM 153 N LEU A 12 1.376 -5.017 3.500 1.00 0.00 N ATOM 154 CA LEU A 12 0.424 -4.023 3.017 1.00 0.00 C ATOM 155 C LEU A 12 -1.001 -4.508 3.300 1.00 0.00 C ATOM 156 O LEU A 12 -1.798 -3.799 3.903 1.00 0.00 O ATOM 157 CB LEU A 12 0.624 -3.802 1.504 1.00 0.00 C ATOM 158 CG LEU A 12 0.525 -2.348 0.994 1.00 0.00 C ATOM 159 CD1 LEU A 12 -0.786 -1.703 1.404 1.00 0.00 C ATOM 160 CD2 LEU A 12 1.705 -1.513 1.479 1.00 0.00 C ATOM 0 H LEU A 12 1.966 -5.417 2.771 1.00 0.00 H new ATOM 0 HA LEU A 12 0.588 -3.077 3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.604 -4.192 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.117 -4.400 0.973 1.00 0.00 H new ATOM 0 HG LEU A 12 0.556 -2.385 -0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.822 -0.680 1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.617 -2.272 0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.862 -1.693 2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.608 -0.494 1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.717 -1.499 2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.634 -1.948 1.111 1.00 0.00 H new ATOM 172 N ALA A 13 -1.281 -5.743 2.890 1.00 0.00 N ATOM 173 CA ALA A 13 -2.611 -6.339 3.001 1.00 0.00 C ATOM 174 C ALA A 13 -3.167 -6.265 4.413 1.00 0.00 C ATOM 175 O ALA A 13 -4.242 -5.706 4.639 1.00 0.00 O ATOM 176 CB ALA A 13 -2.564 -7.790 2.555 1.00 0.00 C ATOM 0 H ALA A 13 -0.588 -6.362 2.469 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.274 -5.763 2.355 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.558 -8.229 2.640 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.232 -7.841 1.518 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.868 -8.342 3.187 1.00 0.00 H new ATOM 182 N GLU A 14 -2.434 -6.831 5.359 1.00 0.00 N ATOM 183 CA GLU A 14 -2.890 -6.898 6.737 1.00 0.00 C ATOM 184 C GLU A 14 -3.059 -5.497 7.312 1.00 0.00 C ATOM 185 O GLU A 14 -3.960 -5.240 8.111 1.00 0.00 O ATOM 186 CB GLU A 14 -1.900 -7.703 7.574 1.00 0.00 C ATOM 187 CG GLU A 14 -2.433 -8.062 8.953 1.00 0.00 C ATOM 188 CD GLU A 14 -1.542 -9.034 9.695 1.00 0.00 C ATOM 189 OE1 GLU A 14 -1.709 -10.259 9.505 1.00 0.00 O ATOM 190 OE2 GLU A 14 -0.689 -8.583 10.483 1.00 0.00 O ATOM 0 H GLU A 14 -1.519 -7.251 5.196 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.859 -7.396 6.763 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.644 -8.619 7.041 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.979 -7.131 7.685 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.540 -7.152 9.544 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.428 -8.495 8.851 1.00 0.00 H new ATOM 197 N ILE A 15 -2.212 -4.588 6.869 1.00 0.00 N ATOM 198 CA ILE A 15 -2.253 -3.219 7.339 1.00 0.00 C ATOM 199 C ILE A 15 -3.475 -2.483 6.778 1.00 0.00 C ATOM 200 O ILE A 15 -4.078 -1.660 7.463 1.00 0.00 O ATOM 201 CB ILE A 15 -0.929 -2.490 7.000 1.00 0.00 C ATOM 202 CG1 ILE A 15 -0.180 -2.163 8.299 1.00 0.00 C ATOM 203 CG2 ILE A 15 -1.160 -1.241 6.162 1.00 0.00 C ATOM 204 CD1 ILE A 15 1.192 -1.561 8.087 1.00 0.00 C ATOM 0 H ILE A 15 -1.483 -4.776 6.180 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.355 -3.225 8.424 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.316 -3.156 6.392 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.782 -1.471 8.888 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.078 -3.076 8.886 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.204 -0.764 5.949 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.645 -1.516 5.225 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.798 -0.548 6.711 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.654 -1.359 9.053 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.813 -2.260 7.526 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.098 -0.630 7.528 1.00 0.00 H new ATOM 216 N VAL A 16 -3.866 -2.802 5.550 1.00 0.00 N ATOM 217 CA VAL A 16 -5.065 -2.201 4.974 1.00 0.00 C ATOM 218 C VAL A 16 -6.304 -2.813 5.608 1.00 0.00 C ATOM 219 O VAL A 16 -7.368 -2.194 5.653 1.00 0.00 O ATOM 220 CB VAL A 16 -5.144 -2.385 3.448 1.00 0.00 C ATOM 221 CG1 VAL A 16 -6.304 -1.589 2.869 1.00 0.00 C ATOM 222 CG2 VAL A 16 -3.842 -1.979 2.794 1.00 0.00 C ATOM 0 H VAL A 16 -3.381 -3.462 4.942 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.014 -1.132 5.180 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.317 -3.441 3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.341 -1.733 1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.238 -1.932 3.313 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.165 -0.531 3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.918 -2.116 1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.636 -0.931 3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.032 -2.596 3.182 1.00 0.00 H new ATOM 232 N ASN A 17 -6.155 -4.031 6.108 1.00 0.00 N ATOM 233 CA ASN A 17 -7.240 -4.704 6.805 1.00 0.00 C ATOM 234 C ASN A 17 -7.575 -3.952 8.092 1.00 0.00 C ATOM 235 O ASN A 17 -8.715 -3.968 8.550 1.00 0.00 O ATOM 236 CB ASN A 17 -6.867 -6.160 7.118 1.00 0.00 C ATOM 237 CG ASN A 17 -8.038 -6.954 7.671 1.00 0.00 C ATOM 238 OD1 ASN A 17 -8.248 -7.013 8.881 1.00 0.00 O ATOM 239 ND2 ASN A 17 -8.798 -7.579 6.785 1.00 0.00 N ATOM 0 H ASN A 17 -5.293 -4.573 6.044 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.117 -4.711 6.158 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.502 -6.641 6.211 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.049 -6.175 7.838 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.593 -8.136 7.098 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.588 -7.503 5.790 1.00 0.00 H new ATOM 246 N GLU A 18 -6.572 -3.278 8.661 1.00 0.00 N ATOM 247 CA GLU A 18 -6.788 -2.417 9.819 1.00 0.00 C ATOM 248 C GLU A 18 -7.684 -1.252 9.432 1.00 0.00 C ATOM 249 O GLU A 18 -8.559 -0.834 10.191 1.00 0.00 O ATOM 250 CB GLU A 18 -5.462 -1.863 10.354 1.00 0.00 C ATOM 251 CG GLU A 18 -4.408 -2.928 10.623 1.00 0.00 C ATOM 252 CD GLU A 18 -3.232 -2.393 11.419 1.00 0.00 C ATOM 253 OE1 GLU A 18 -2.945 -1.182 11.329 1.00 0.00 O ATOM 254 OE2 GLU A 18 -2.592 -3.183 12.145 1.00 0.00 O ATOM 0 H GLU A 18 -5.606 -3.314 8.337 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.259 -3.016 10.598 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.064 -1.146 9.636 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.655 -1.316 11.277 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.863 -3.756 11.166 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.049 -3.327 9.674 1.00 0.00 H new ATOM 261 N ILE A 19 -7.464 -0.755 8.228 1.00 0.00 N ATOM 262 CA ILE A 19 -8.163 0.418 7.742 1.00 0.00 C ATOM 263 C ILE A 19 -9.596 0.082 7.352 1.00 0.00 C ATOM 264 O ILE A 19 -10.544 0.713 7.815 1.00 0.00 O ATOM 265 CB ILE A 19 -7.459 1.006 6.508 1.00 0.00 C ATOM 266 CG1 ILE A 19 -5.948 1.088 6.723 1.00 0.00 C ATOM 267 CG2 ILE A 19 -8.020 2.378 6.210 1.00 0.00 C ATOM 268 CD1 ILE A 19 -5.190 1.629 5.525 1.00 0.00 C ATOM 0 H ILE A 19 -6.799 -1.152 7.564 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.162 1.145 8.554 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.641 0.347 5.659 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.747 1.723 7.586 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.570 0.094 6.963 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.520 2.793 5.335 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.089 2.299 6.013 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.856 3.032 7.066 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.124 1.658 5.752 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.360 0.982 4.664 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.540 2.636 5.297 1.00 0.00 H new ATOM 280 N ALA A 20 -9.741 -0.922 6.500 1.00 0.00 N ATOM 281 CA ALA A 20 -11.045 -1.294 5.978 1.00 0.00 C ATOM 282 C ALA A 20 -11.283 -2.793 6.133 1.00 0.00 C ATOM 283 O ALA A 20 -11.856 -3.228 7.131 1.00 0.00 O ATOM 284 CB ALA A 20 -11.174 -0.856 4.528 1.00 0.00 C ATOM 0 H ALA A 20 -8.970 -1.494 6.156 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.814 -0.781 6.555 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.155 -1.140 4.148 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.059 0.226 4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.400 -1.339 3.932 1.00 0.00 H new ATOM 290 N GLY A 21 -10.830 -3.590 5.167 1.00 0.00 N ATOM 291 CA GLY A 21 -10.931 -5.027 5.327 1.00 0.00 C ATOM 292 C GLY A 21 -10.982 -5.817 4.030 1.00 0.00 C ATOM 293 O GLY A 21 -11.968 -6.500 3.757 1.00 0.00 O ATOM 0 H GLY A 21 -10.404 -3.274 4.296 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -10.079 -5.373 5.912 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -11.827 -5.251 5.906 1.00 0.00 H new ATOM 297 N ILE A 22 -9.930 -5.730 3.228 1.00 0.00 N ATOM 298 CA ILE A 22 -9.732 -6.687 2.148 1.00 0.00 C ATOM 299 C ILE A 22 -8.948 -7.874 2.703 1.00 0.00 C ATOM 300 O ILE A 22 -7.984 -7.678 3.450 1.00 0.00 O ATOM 301 CB ILE A 22 -8.957 -6.080 0.943 1.00 0.00 C ATOM 302 CG1 ILE A 22 -9.840 -5.129 0.124 1.00 0.00 C ATOM 303 CG2 ILE A 22 -8.402 -7.176 0.047 1.00 0.00 C ATOM 304 CD1 ILE A 22 -11.056 -5.791 -0.492 1.00 0.00 C ATOM 0 H ILE A 22 -9.207 -5.014 3.303 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.712 -6.989 1.778 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.127 -5.504 1.352 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -10.170 -4.313 0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.239 -4.686 -0.670 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.865 -6.726 -0.788 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.721 -7.805 0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.222 -7.784 -0.335 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.627 -5.052 -1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.736 -6.588 -1.163 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.681 -6.210 0.297 1.00 0.00 H new ATOM 316 N PRO A 23 -9.370 -9.113 2.399 1.00 0.00 N ATOM 317 CA PRO A 23 -8.615 -10.311 2.776 1.00 0.00 C ATOM 318 C PRO A 23 -7.168 -10.225 2.297 1.00 0.00 C ATOM 319 O PRO A 23 -6.902 -9.728 1.203 1.00 0.00 O ATOM 320 CB PRO A 23 -9.358 -11.439 2.060 1.00 0.00 C ATOM 321 CG PRO A 23 -10.744 -10.927 1.884 1.00 0.00 C ATOM 322 CD PRO A 23 -10.613 -9.444 1.683 1.00 0.00 C ATOM 0 HA PRO A 23 -8.560 -10.452 3.855 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.896 -11.670 1.100 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -9.347 -12.357 2.648 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.228 -11.396 1.027 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.357 -11.150 2.757 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.549 -9.186 0.626 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.468 -8.906 2.092 1.00 0.00 H new ATOM 330 N VAL A 24 -6.235 -10.715 3.105 1.00 0.00 N ATOM 331 CA VAL A 24 -4.814 -10.561 2.805 1.00 0.00 C ATOM 332 C VAL A 24 -4.438 -11.261 1.500 1.00 0.00 C ATOM 333 O VAL A 24 -3.539 -10.824 0.783 1.00 0.00 O ATOM 334 CB VAL A 24 -3.923 -11.087 3.954 1.00 0.00 C ATOM 335 CG1 VAL A 24 -4.124 -10.252 5.210 1.00 0.00 C ATOM 336 CG2 VAL A 24 -4.207 -12.554 4.244 1.00 0.00 C ATOM 0 H VAL A 24 -6.434 -11.220 3.969 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.636 -9.491 2.693 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.884 -11.000 3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -3.489 -10.637 6.008 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.859 -9.215 5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.168 -10.305 5.519 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.565 -12.895 5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.251 -12.672 4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.008 -13.147 3.351 1.00 0.00 H new ATOM 346 N GLU A 25 -5.148 -12.335 1.198 1.00 0.00 N ATOM 347 CA GLU A 25 -4.930 -13.091 -0.026 1.00 0.00 C ATOM 348 C GLU A 25 -5.615 -12.423 -1.218 1.00 0.00 C ATOM 349 O GLU A 25 -5.305 -12.728 -2.372 1.00 0.00 O ATOM 350 CB GLU A 25 -5.402 -14.548 0.123 1.00 0.00 C ATOM 351 CG GLU A 25 -6.706 -14.723 0.894 1.00 0.00 C ATOM 352 CD GLU A 25 -6.523 -14.598 2.391 1.00 0.00 C ATOM 353 OE1 GLU A 25 -5.975 -15.537 3.008 1.00 0.00 O ATOM 354 OE2 GLU A 25 -6.912 -13.555 2.952 1.00 0.00 O ATOM 0 H GLU A 25 -5.889 -12.707 1.791 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.856 -13.103 -0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.523 -14.979 -0.871 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.620 -15.119 0.625 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.425 -13.977 0.557 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.130 -15.701 0.665 1.00 0.00 H new ATOM 361 N ASP A 26 -6.552 -11.520 -0.940 1.00 0.00 N ATOM 362 CA ASP A 26 -7.292 -10.841 -2.000 1.00 0.00 C ATOM 363 C ASP A 26 -6.532 -9.603 -2.465 1.00 0.00 C ATOM 364 O ASP A 26 -6.832 -9.030 -3.519 1.00 0.00 O ATOM 365 CB ASP A 26 -8.688 -10.433 -1.516 1.00 0.00 C ATOM 366 CG ASP A 26 -9.650 -10.207 -2.667 1.00 0.00 C ATOM 367 OD1 ASP A 26 -9.941 -11.176 -3.400 1.00 0.00 O ATOM 368 OD2 ASP A 26 -10.122 -9.065 -2.840 1.00 0.00 O ATOM 0 H ASP A 26 -6.816 -11.243 0.005 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.399 -11.535 -2.834 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -9.084 -11.208 -0.860 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -8.613 -9.522 -0.923 1.00 0.00 H new ATOM 373 N VAL A 27 -5.545 -9.195 -1.674 1.00 0.00 N ATOM 374 CA VAL A 27 -4.751 -8.019 -1.986 1.00 0.00 C ATOM 375 C VAL A 27 -3.829 -8.295 -3.154 1.00 0.00 C ATOM 376 O VAL A 27 -2.934 -9.134 -3.086 1.00 0.00 O ATOM 377 CB VAL A 27 -3.950 -7.519 -0.768 1.00 0.00 C ATOM 378 CG1 VAL A 27 -3.038 -6.359 -1.149 1.00 0.00 C ATOM 379 CG2 VAL A 27 -4.906 -7.099 0.330 1.00 0.00 C ATOM 0 H VAL A 27 -5.278 -9.666 -0.810 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.444 -7.225 -2.264 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.320 -8.333 -0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.485 -6.027 -0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.337 -6.685 -1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.639 -5.535 -1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.339 -6.746 1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.549 -6.298 -0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.519 -7.951 0.624 1.00 0.00 H new ATOM 389 N LYS A 28 -4.088 -7.577 -4.231 1.00 0.00 N ATOM 390 CA LYS A 28 -3.398 -7.763 -5.488 1.00 0.00 C ATOM 391 C LYS A 28 -3.043 -6.407 -6.058 1.00 0.00 C ATOM 392 O LYS A 28 -3.535 -5.385 -5.582 1.00 0.00 O ATOM 393 CB LYS A 28 -4.301 -8.511 -6.474 1.00 0.00 C ATOM 394 CG LYS A 28 -4.712 -9.896 -6.004 1.00 0.00 C ATOM 395 CD LYS A 28 -5.877 -10.433 -6.815 1.00 0.00 C ATOM 396 CE LYS A 28 -5.499 -10.664 -8.272 1.00 0.00 C ATOM 397 NZ LYS A 28 -4.380 -11.633 -8.417 1.00 0.00 N ATOM 0 H LYS A 28 -4.793 -6.840 -4.255 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.492 -8.347 -5.324 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.198 -7.918 -6.652 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.783 -8.601 -7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.865 -10.576 -6.087 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.988 -9.857 -4.950 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.222 -11.370 -6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.709 -9.731 -6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.368 -11.032 -8.817 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.216 -9.715 -8.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.313 -11.940 -9.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.488 -11.179 -8.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.555 -12.459 -7.810 1.00 0.00 H new ATOM 411 N LEU A 29 -2.227 -6.396 -7.087 1.00 0.00 N ATOM 412 CA LEU A 29 -1.842 -5.152 -7.724 1.00 0.00 C ATOM 413 C LEU A 29 -2.951 -4.650 -8.639 1.00 0.00 C ATOM 414 O LEU A 29 -2.858 -3.569 -9.215 1.00 0.00 O ATOM 415 CB LEU A 29 -0.530 -5.313 -8.500 1.00 0.00 C ATOM 416 CG LEU A 29 0.742 -5.053 -7.688 1.00 0.00 C ATOM 417 CD1 LEU A 29 0.784 -5.919 -6.439 1.00 0.00 C ATOM 418 CD2 LEU A 29 1.965 -5.290 -8.553 1.00 0.00 C ATOM 0 H LEU A 29 -1.816 -7.232 -7.502 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.681 -4.410 -6.942 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.485 -6.325 -8.901 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.544 -4.633 -9.352 1.00 0.00 H new ATOM 0 HG LEU A 29 0.738 -4.012 -7.364 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.699 -5.712 -5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.080 -5.696 -5.812 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.763 -6.971 -6.725 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.866 -5.103 -7.968 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.968 -6.322 -8.904 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.941 -4.616 -9.409 1.00 0.00 H new ATOM 430 N ASP A 30 -4.012 -5.436 -8.736 1.00 0.00 N ATOM 431 CA ASP A 30 -5.089 -5.159 -9.672 1.00 0.00 C ATOM 432 C ASP A 30 -6.243 -4.429 -9.001 1.00 0.00 C ATOM 433 O ASP A 30 -7.032 -3.769 -9.675 1.00 0.00 O ATOM 434 CB ASP A 30 -5.618 -6.469 -10.271 1.00 0.00 C ATOM 435 CG ASP A 30 -4.523 -7.472 -10.583 1.00 0.00 C ATOM 436 OD1 ASP A 30 -4.037 -8.138 -9.641 1.00 0.00 O ATOM 437 OD2 ASP A 30 -4.158 -7.623 -11.766 1.00 0.00 O ATOM 0 H ASP A 30 -4.150 -6.276 -8.174 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.680 -4.522 -10.456 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.326 -6.919 -9.575 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.168 -6.246 -11.185 1.00 0.00 H new ATOM 442 N LYS A 31 -6.352 -4.534 -7.680 1.00 0.00 N ATOM 443 CA LYS A 31 -7.540 -4.042 -7.009 1.00 0.00 C ATOM 444 C LYS A 31 -7.332 -2.602 -6.547 1.00 0.00 C ATOM 445 O LYS A 31 -6.228 -2.215 -6.151 1.00 0.00 O ATOM 446 CB LYS A 31 -7.926 -4.985 -5.866 1.00 0.00 C ATOM 447 CG LYS A 31 -7.274 -4.693 -4.527 1.00 0.00 C ATOM 448 CD LYS A 31 -7.236 -5.921 -3.637 1.00 0.00 C ATOM 449 CE LYS A 31 -8.629 -6.400 -3.240 1.00 0.00 C ATOM 450 NZ LYS A 31 -9.327 -7.136 -4.332 1.00 0.00 N ATOM 0 H LYS A 31 -5.647 -4.946 -7.069 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.377 -4.028 -7.707 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.008 -4.949 -5.739 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.673 -6.004 -6.159 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.259 -4.330 -4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.821 -3.896 -4.023 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.713 -6.725 -4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.663 -5.696 -2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.549 -7.048 -2.367 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.232 -5.541 -2.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.755 -8.003 -3.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.071 -6.533 -4.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.643 -7.387 -5.074 1.00 0.00 H new ATOM 464 N SER A 32 -8.389 -1.811 -6.614 1.00 0.00 N ATOM 465 CA SER A 32 -8.293 -0.383 -6.365 1.00 0.00 C ATOM 466 C SER A 32 -8.363 -0.070 -4.873 1.00 0.00 C ATOM 467 O SER A 32 -9.205 -0.606 -4.162 1.00 0.00 O ATOM 468 CB SER A 32 -9.412 0.348 -7.111 1.00 0.00 C ATOM 469 OG SER A 32 -9.440 -0.017 -8.480 1.00 0.00 O ATOM 0 H SER A 32 -9.329 -2.136 -6.840 1.00 0.00 H new ATOM 0 HA SER A 32 -7.326 -0.038 -6.731 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.372 0.115 -6.650 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.269 1.425 -7.022 1.00 0.00 H new ATOM 0 HG SER A 32 -10.165 0.463 -8.932 1.00 0.00 H new ATOM 475 N PHE A 33 -7.479 0.810 -4.408 1.00 0.00 N ATOM 476 CA PHE A 33 -7.445 1.209 -3.006 1.00 0.00 C ATOM 477 C PHE A 33 -8.748 1.884 -2.615 1.00 0.00 C ATOM 478 O PHE A 33 -9.346 1.570 -1.591 1.00 0.00 O ATOM 479 CB PHE A 33 -6.286 2.173 -2.748 1.00 0.00 C ATOM 480 CG PHE A 33 -5.241 1.625 -1.820 1.00 0.00 C ATOM 481 CD1 PHE A 33 -5.608 0.982 -0.650 1.00 0.00 C ATOM 482 CD2 PHE A 33 -3.894 1.751 -2.112 1.00 0.00 C ATOM 483 CE1 PHE A 33 -4.658 0.475 0.210 1.00 0.00 C ATOM 484 CE2 PHE A 33 -2.935 1.244 -1.253 1.00 0.00 C ATOM 485 CZ PHE A 33 -3.319 0.606 -0.092 1.00 0.00 C ATOM 0 H PHE A 33 -6.772 1.262 -4.988 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.306 0.310 -2.405 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -5.818 2.427 -3.699 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.681 3.099 -2.330 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.655 0.876 -0.408 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.588 2.250 -3.020 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.962 -0.024 1.119 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.887 1.348 -1.491 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.572 0.210 0.580 1.00 0.00 H new ATOM 495 N THR A 34 -9.187 2.802 -3.447 1.00 0.00 N ATOM 496 CA THR A 34 -10.377 3.571 -3.160 1.00 0.00 C ATOM 497 C THR A 34 -11.649 2.762 -3.433 1.00 0.00 C ATOM 498 O THR A 34 -12.681 2.968 -2.789 1.00 0.00 O ATOM 499 CB THR A 34 -10.381 4.860 -3.998 1.00 0.00 C ATOM 500 OG1 THR A 34 -10.184 4.535 -5.381 1.00 0.00 O ATOM 501 CG2 THR A 34 -9.281 5.810 -3.538 1.00 0.00 C ATOM 0 H THR A 34 -8.735 3.035 -4.331 1.00 0.00 H new ATOM 0 HA THR A 34 -10.366 3.826 -2.100 1.00 0.00 H new ATOM 0 HB THR A 34 -11.344 5.354 -3.867 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.189 5.357 -5.914 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.304 6.715 -4.146 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.440 6.072 -2.492 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.311 5.324 -3.647 1.00 0.00 H new ATOM 509 N ASP A 35 -11.565 1.840 -4.384 1.00 0.00 N ATOM 510 CA ASP A 35 -12.728 1.051 -4.800 1.00 0.00 C ATOM 511 C ASP A 35 -12.831 -0.261 -4.019 1.00 0.00 C ATOM 512 O ASP A 35 -13.754 -0.455 -3.226 1.00 0.00 O ATOM 513 CB ASP A 35 -12.659 0.774 -6.303 1.00 0.00 C ATOM 514 CG ASP A 35 -13.911 0.106 -6.839 1.00 0.00 C ATOM 515 OD1 ASP A 35 -14.920 0.812 -7.039 1.00 0.00 O ATOM 516 OD2 ASP A 35 -13.881 -1.112 -7.097 1.00 0.00 O ATOM 0 H ASP A 35 -10.705 1.617 -4.885 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.624 1.632 -4.581 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.499 1.713 -6.833 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.797 0.140 -6.511 1.00 0.00 H new ATOM 521 N ASP A 36 -11.861 -1.144 -4.236 1.00 0.00 N ATOM 522 CA ASP A 36 -11.854 -2.474 -3.620 1.00 0.00 C ATOM 523 C ASP A 36 -11.548 -2.387 -2.139 1.00 0.00 C ATOM 524 O ASP A 36 -12.313 -2.864 -1.305 1.00 0.00 O ATOM 525 CB ASP A 36 -10.800 -3.376 -4.262 1.00 0.00 C ATOM 526 CG ASP A 36 -11.111 -3.758 -5.688 1.00 0.00 C ATOM 527 OD1 ASP A 36 -10.846 -2.946 -6.596 1.00 0.00 O ATOM 528 OD2 ASP A 36 -11.564 -4.898 -5.907 1.00 0.00 O ATOM 0 H ASP A 36 -11.060 -0.963 -4.840 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.848 -2.894 -3.774 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.836 -2.869 -4.234 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.700 -4.283 -3.666 1.00 0.00 H new ATOM 533 N LEU A 37 -10.408 -1.779 -1.823 1.00 0.00 N ATOM 534 CA LEU A 37 -9.950 -1.670 -0.445 1.00 0.00 C ATOM 535 C LEU A 37 -10.918 -0.807 0.352 1.00 0.00 C ATOM 536 O LEU A 37 -10.979 -0.911 1.572 1.00 0.00 O ATOM 537 CB LEU A 37 -8.531 -1.066 -0.365 1.00 0.00 C ATOM 538 CG LEU A 37 -7.354 -1.922 -0.889 1.00 0.00 C ATOM 539 CD1 LEU A 37 -7.189 -3.193 -0.085 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.525 -2.272 -2.349 1.00 0.00 C ATOM 0 H LEU A 37 -9.783 -1.353 -2.508 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.914 -2.674 -0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.535 -0.127 -0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.329 -0.821 0.678 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.456 -1.314 -0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.353 -3.769 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.994 -2.941 0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.101 -3.786 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.679 -2.874 -2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.447 -2.838 -2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.573 -1.357 -2.939 1.00 0.00 H new ATOM 552 N ASP A 38 -11.675 0.031 -0.366 1.00 0.00 N ATOM 553 CA ASP A 38 -12.643 0.949 0.237 1.00 0.00 C ATOM 554 C ASP A 38 -11.963 1.800 1.299 1.00 0.00 C ATOM 555 O ASP A 38 -12.238 1.681 2.496 1.00 0.00 O ATOM 556 CB ASP A 38 -13.834 0.180 0.824 1.00 0.00 C ATOM 557 CG ASP A 38 -14.950 1.090 1.304 1.00 0.00 C ATOM 558 OD1 ASP A 38 -15.178 2.146 0.679 1.00 0.00 O ATOM 559 OD2 ASP A 38 -15.629 0.738 2.297 1.00 0.00 O ATOM 0 H ASP A 38 -11.632 0.090 -1.383 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.029 1.610 -0.540 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -14.227 -0.501 0.069 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -13.489 -0.433 1.657 1.00 0.00 H new ATOM 564 N VAL A 39 -11.047 2.639 0.846 1.00 0.00 N ATOM 565 CA VAL A 39 -10.206 3.392 1.744 1.00 0.00 C ATOM 566 C VAL A 39 -10.333 4.902 1.485 1.00 0.00 C ATOM 567 O VAL A 39 -10.511 5.333 0.343 1.00 0.00 O ATOM 568 CB VAL A 39 -8.739 2.921 1.589 1.00 0.00 C ATOM 569 CG1 VAL A 39 -8.027 3.669 0.479 1.00 0.00 C ATOM 570 CG2 VAL A 39 -7.996 3.036 2.904 1.00 0.00 C ATOM 0 H VAL A 39 -10.871 2.812 -0.144 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.530 3.212 2.769 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.754 1.869 1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.000 3.312 0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.544 3.498 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.024 4.736 0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.968 2.700 2.771 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.998 4.075 3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.487 2.416 3.654 1.00 0.00 H new ATOM 580 N ASP A 40 -10.283 5.700 2.551 1.00 0.00 N ATOM 581 CA ASP A 40 -10.350 7.158 2.423 1.00 0.00 C ATOM 582 C ASP A 40 -8.964 7.730 2.238 1.00 0.00 C ATOM 583 O ASP A 40 -7.983 7.073 2.565 1.00 0.00 O ATOM 584 CB ASP A 40 -10.965 7.809 3.666 1.00 0.00 C ATOM 585 CG ASP A 40 -12.275 7.192 4.097 1.00 0.00 C ATOM 586 OD1 ASP A 40 -12.242 6.205 4.859 1.00 0.00 O ATOM 587 OD2 ASP A 40 -13.339 7.714 3.703 1.00 0.00 O ATOM 0 H ASP A 40 -10.197 5.364 3.510 1.00 0.00 H new ATOM 0 HA ASP A 40 -10.977 7.372 1.557 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.254 7.740 4.489 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.122 8.869 3.468 1.00 0.00 H new ATOM 592 N SER A 41 -8.902 8.970 1.757 1.00 0.00 N ATOM 593 CA SER A 41 -7.632 9.644 1.515 1.00 0.00 C ATOM 594 C SER A 41 -6.768 9.626 2.770 1.00 0.00 C ATOM 595 O SER A 41 -5.600 9.244 2.726 1.00 0.00 O ATOM 596 CB SER A 41 -7.874 11.087 1.077 1.00 0.00 C ATOM 597 OG SER A 41 -8.880 11.160 0.079 1.00 0.00 O ATOM 0 H SER A 41 -9.723 9.530 1.527 1.00 0.00 H new ATOM 0 HA SER A 41 -7.109 9.112 0.720 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.169 11.686 1.938 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.947 11.514 0.694 1.00 0.00 H new ATOM 0 HG SER A 41 -9.015 12.095 -0.181 1.00 0.00 H new ATOM 603 N LEU A 42 -7.356 10.020 3.893 1.00 0.00 N ATOM 604 CA LEU A 42 -6.653 10.001 5.166 1.00 0.00 C ATOM 605 C LEU A 42 -6.289 8.566 5.530 1.00 0.00 C ATOM 606 O LEU A 42 -5.144 8.262 5.849 1.00 0.00 O ATOM 607 CB LEU A 42 -7.536 10.602 6.265 1.00 0.00 C ATOM 608 CG LEU A 42 -6.798 11.343 7.391 1.00 0.00 C ATOM 609 CD1 LEU A 42 -5.700 10.484 8.013 1.00 0.00 C ATOM 610 CD2 LEU A 42 -6.224 12.652 6.873 1.00 0.00 C ATOM 0 H LEU A 42 -8.318 10.356 3.946 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.743 10.595 5.077 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.239 11.294 5.801 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.125 9.800 6.710 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.524 11.559 8.175 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.203 11.045 8.804 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.140 9.578 8.431 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.972 10.214 7.248 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.704 13.166 7.681 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.524 12.447 6.063 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.032 13.282 6.503 1.00 0.00 H new ATOM 622 N SER A 43 -7.281 7.693 5.451 1.00 0.00 N ATOM 623 CA SER A 43 -7.147 6.302 5.847 1.00 0.00 C ATOM 624 C SER A 43 -5.991 5.605 5.119 1.00 0.00 C ATOM 625 O SER A 43 -5.134 4.972 5.754 1.00 0.00 O ATOM 626 CB SER A 43 -8.469 5.598 5.559 1.00 0.00 C ATOM 627 OG SER A 43 -9.553 6.378 6.040 1.00 0.00 O ATOM 0 H SER A 43 -8.210 7.934 5.107 1.00 0.00 H new ATOM 0 HA SER A 43 -6.914 6.255 6.911 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.577 5.434 4.487 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.478 4.617 6.034 1.00 0.00 H new ATOM 0 HG SER A 43 -10.387 6.067 5.630 1.00 0.00 H new ATOM 633 N MET A 44 -5.961 5.737 3.792 1.00 0.00 N ATOM 634 CA MET A 44 -4.911 5.119 2.986 1.00 0.00 C ATOM 635 C MET A 44 -3.546 5.679 3.349 1.00 0.00 C ATOM 636 O MET A 44 -2.592 4.935 3.520 1.00 0.00 O ATOM 637 CB MET A 44 -5.181 5.270 1.477 1.00 0.00 C ATOM 638 CG MET A 44 -5.632 6.657 1.036 1.00 0.00 C ATOM 639 SD MET A 44 -6.569 6.645 -0.513 1.00 0.00 S ATOM 640 CE MET A 44 -5.507 5.670 -1.574 1.00 0.00 C ATOM 0 H MET A 44 -6.650 6.265 3.256 1.00 0.00 H new ATOM 0 HA MET A 44 -4.916 4.053 3.212 1.00 0.00 H new ATOM 0 HB2 MET A 44 -4.272 5.011 0.934 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.944 4.548 1.186 1.00 0.00 H new ATOM 0 HG2 MET A 44 -6.246 7.099 1.821 1.00 0.00 H new ATOM 0 HG3 MET A 44 -4.757 7.296 0.918 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.336 6.205 -2.508 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.554 5.497 -1.075 1.00 0.00 H new ATOM 0 HE3 MET A 44 -5.984 4.713 -1.786 1.00 0.00 H new ATOM 650 N VAL A 45 -3.456 6.978 3.515 1.00 0.00 N ATOM 651 CA VAL A 45 -2.192 7.588 3.882 1.00 0.00 C ATOM 652 C VAL A 45 -1.800 7.211 5.316 1.00 0.00 C ATOM 653 O VAL A 45 -0.629 7.147 5.646 1.00 0.00 O ATOM 654 CB VAL A 45 -2.254 9.128 3.720 1.00 0.00 C ATOM 655 CG1 VAL A 45 -0.970 9.788 4.198 1.00 0.00 C ATOM 656 CG2 VAL A 45 -2.528 9.495 2.265 1.00 0.00 C ATOM 0 H VAL A 45 -4.232 7.630 3.404 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.426 7.206 3.207 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.071 9.498 4.340 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.047 10.868 4.071 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.813 9.557 5.252 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.129 9.413 3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.569 10.580 2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.730 9.102 1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.481 9.066 1.955 1.00 0.00 H new ATOM 666 N GLU A 46 -2.772 6.894 6.150 1.00 0.00 N ATOM 667 CA GLU A 46 -2.489 6.671 7.559 1.00 0.00 C ATOM 668 C GLU A 46 -1.759 5.346 7.777 1.00 0.00 C ATOM 669 O GLU A 46 -0.573 5.324 8.137 1.00 0.00 O ATOM 670 CB GLU A 46 -3.801 6.696 8.353 1.00 0.00 C ATOM 671 CG GLU A 46 -3.648 6.454 9.847 1.00 0.00 C ATOM 672 CD GLU A 46 -2.913 7.571 10.555 1.00 0.00 C ATOM 673 OE1 GLU A 46 -3.491 8.671 10.694 1.00 0.00 O ATOM 674 OE2 GLU A 46 -1.762 7.354 10.985 1.00 0.00 O ATOM 0 H GLU A 46 -3.751 6.786 5.884 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.835 7.468 7.912 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.281 7.663 8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.471 5.940 7.944 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.635 6.336 10.293 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.113 5.517 10.005 1.00 0.00 H new ATOM 681 N VAL A 47 -2.427 4.238 7.497 1.00 0.00 N ATOM 682 CA VAL A 47 -1.847 2.950 7.816 1.00 0.00 C ATOM 683 C VAL A 47 -0.969 2.440 6.675 1.00 0.00 C ATOM 684 O VAL A 47 -0.058 1.646 6.895 1.00 0.00 O ATOM 685 CB VAL A 47 -2.934 1.917 8.185 1.00 0.00 C ATOM 686 CG1 VAL A 47 -2.315 0.686 8.826 1.00 0.00 C ATOM 687 CG2 VAL A 47 -3.958 2.541 9.124 1.00 0.00 C ATOM 0 H VAL A 47 -3.348 4.206 7.060 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.211 3.086 8.691 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.437 1.609 7.268 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.100 -0.027 9.077 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.616 0.225 8.128 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.785 0.976 9.733 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.718 1.802 9.376 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.461 2.875 10.035 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.429 3.393 8.634 1.00 0.00 H new ATOM 697 N VAL A 48 -1.198 2.928 5.458 1.00 0.00 N ATOM 698 CA VAL A 48 -0.386 2.479 4.335 1.00 0.00 C ATOM 699 C VAL A 48 0.967 3.199 4.347 1.00 0.00 C ATOM 700 O VAL A 48 1.966 2.661 3.875 1.00 0.00 O ATOM 701 CB VAL A 48 -1.103 2.642 2.974 1.00 0.00 C ATOM 702 CG1 VAL A 48 -0.283 2.036 1.841 1.00 0.00 C ATOM 703 CG2 VAL A 48 -2.480 1.994 3.033 1.00 0.00 C ATOM 0 H VAL A 48 -1.917 3.614 5.230 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.219 1.409 4.457 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.215 3.707 2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.813 2.167 0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.685 2.535 1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.133 0.973 2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.979 2.112 2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.373 0.933 3.258 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.074 2.472 3.812 1.00 0.00 H new ATOM 713 N VAL A 49 1.011 4.402 4.928 1.00 0.00 N ATOM 714 CA VAL A 49 2.291 5.056 5.197 1.00 0.00 C ATOM 715 C VAL A 49 3.020 4.303 6.305 1.00 0.00 C ATOM 716 O VAL A 49 4.234 4.106 6.251 1.00 0.00 O ATOM 717 CB VAL A 49 2.120 6.547 5.571 1.00 0.00 C ATOM 718 CG1 VAL A 49 3.298 7.065 6.382 1.00 0.00 C ATOM 719 CG2 VAL A 49 1.954 7.380 4.311 1.00 0.00 C ATOM 0 H VAL A 49 0.189 4.933 5.216 1.00 0.00 H new ATOM 0 HA VAL A 49 2.883 5.029 4.282 1.00 0.00 H new ATOM 0 HB VAL A 49 1.227 6.634 6.190 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.139 8.116 6.624 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.387 6.489 7.303 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.214 6.961 5.800 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.834 8.429 4.582 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.836 7.266 3.681 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.073 7.043 3.765 1.00 0.00 H new ATOM 729 N ALA A 50 2.269 3.842 7.298 1.00 0.00 N ATOM 730 CA ALA A 50 2.833 2.969 8.322 1.00 0.00 C ATOM 731 C ALA A 50 3.408 1.693 7.690 1.00 0.00 C ATOM 732 O ALA A 50 4.307 1.056 8.246 1.00 0.00 O ATOM 733 CB ALA A 50 1.778 2.623 9.359 1.00 0.00 C ATOM 0 H ALA A 50 1.278 4.055 7.416 1.00 0.00 H new ATOM 0 HA ALA A 50 3.646 3.499 8.818 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.213 1.971 10.117 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.417 3.537 9.830 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.946 2.112 8.875 1.00 0.00 H new ATOM 739 N ALA A 51 2.882 1.331 6.520 1.00 0.00 N ATOM 740 CA ALA A 51 3.339 0.149 5.798 1.00 0.00 C ATOM 741 C ALA A 51 4.565 0.432 4.932 1.00 0.00 C ATOM 742 O ALA A 51 5.443 -0.415 4.816 1.00 0.00 O ATOM 743 CB ALA A 51 2.217 -0.406 4.935 1.00 0.00 C ATOM 0 H ALA A 51 2.135 1.844 6.052 1.00 0.00 H new ATOM 0 HA ALA A 51 3.630 -0.589 6.546 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.571 -1.288 4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.372 -0.679 5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.902 0.351 4.217 1.00 0.00 H new ATOM 749 N GLU A 52 4.627 1.606 4.321 1.00 0.00 N ATOM 750 CA GLU A 52 5.744 1.929 3.445 1.00 0.00 C ATOM 751 C GLU A 52 7.025 2.070 4.257 1.00 0.00 C ATOM 752 O GLU A 52 8.045 1.445 3.953 1.00 0.00 O ATOM 753 CB GLU A 52 5.469 3.208 2.642 1.00 0.00 C ATOM 754 CG GLU A 52 5.245 4.444 3.497 1.00 0.00 C ATOM 755 CD GLU A 52 5.394 5.728 2.721 1.00 0.00 C ATOM 756 OE1 GLU A 52 6.405 5.877 2.023 1.00 0.00 O ATOM 757 OE2 GLU A 52 4.516 6.604 2.835 1.00 0.00 O ATOM 0 H GLU A 52 3.927 2.342 4.413 1.00 0.00 H new ATOM 0 HA GLU A 52 5.866 1.111 2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.309 3.391 1.972 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.591 3.049 2.016 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.247 4.402 3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.954 4.441 4.325 1.00 0.00 H new ATOM 764 N GLU A 53 6.945 2.840 5.330 1.00 0.00 N ATOM 765 CA GLU A 53 8.113 3.165 6.124 1.00 0.00 C ATOM 766 C GLU A 53 8.722 1.928 6.783 1.00 0.00 C ATOM 767 O GLU A 53 9.930 1.882 7.028 1.00 0.00 O ATOM 768 CB GLU A 53 7.759 4.189 7.192 1.00 0.00 C ATOM 769 CG GLU A 53 7.167 5.484 6.652 1.00 0.00 C ATOM 770 CD GLU A 53 7.112 6.587 7.697 1.00 0.00 C ATOM 771 OE1 GLU A 53 6.203 6.560 8.555 1.00 0.00 O ATOM 772 OE2 GLU A 53 7.975 7.491 7.661 1.00 0.00 O ATOM 0 H GLU A 53 6.077 3.253 5.671 1.00 0.00 H new ATOM 0 HA GLU A 53 8.856 3.583 5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.048 3.741 7.886 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.657 4.425 7.763 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.760 5.823 5.803 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.161 5.291 6.281 1.00 0.00 H new ATOM 779 N ARG A 54 7.899 0.913 7.056 1.00 0.00 N ATOM 780 CA ARG A 54 8.391 -0.295 7.720 1.00 0.00 C ATOM 781 C ARG A 54 9.172 -1.174 6.751 1.00 0.00 C ATOM 782 O ARG A 54 9.805 -2.146 7.154 1.00 0.00 O ATOM 783 CB ARG A 54 7.257 -1.100 8.362 1.00 0.00 C ATOM 784 CG ARG A 54 6.192 -1.575 7.396 1.00 0.00 C ATOM 785 CD ARG A 54 5.340 -2.673 8.010 1.00 0.00 C ATOM 786 NE ARG A 54 4.897 -2.340 9.364 1.00 0.00 N ATOM 787 CZ ARG A 54 5.125 -3.117 10.423 1.00 0.00 C ATOM 788 NH1 ARG A 54 5.832 -4.234 10.297 1.00 0.00 N ATOM 789 NH2 ARG A 54 4.677 -2.762 11.619 1.00 0.00 N ATOM 0 H ARG A 54 6.904 0.902 6.832 1.00 0.00 H new ATOM 0 HA ARG A 54 9.060 0.034 8.515 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.685 -1.967 8.865 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.785 -0.487 9.130 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.557 -0.736 7.110 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.663 -1.944 6.485 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.469 -2.850 7.379 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.910 -3.602 8.035 1.00 0.00 H new ATOM 0 HE ARG A 54 4.387 -1.468 9.505 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.204 -4.502 9.386 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.003 -4.824 11.111 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.156 -1.892 11.731 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.853 -3.359 12.427 1.00 0.00 H new ATOM 803 N PHE A 55 9.120 -0.832 5.472 1.00 0.00 N ATOM 804 CA PHE A 55 9.939 -1.502 4.473 1.00 0.00 C ATOM 805 C PHE A 55 11.078 -0.587 4.047 1.00 0.00 C ATOM 806 O PHE A 55 11.695 -0.777 2.997 1.00 0.00 O ATOM 807 CB PHE A 55 9.097 -1.941 3.273 1.00 0.00 C ATOM 808 CG PHE A 55 8.167 -3.080 3.593 1.00 0.00 C ATOM 809 CD1 PHE A 55 8.637 -4.385 3.624 1.00 0.00 C ATOM 810 CD2 PHE A 55 6.829 -2.852 3.866 1.00 0.00 C ATOM 811 CE1 PHE A 55 7.789 -5.437 3.921 1.00 0.00 C ATOM 812 CE2 PHE A 55 5.977 -3.899 4.163 1.00 0.00 C ATOM 813 CZ PHE A 55 6.458 -5.192 4.191 1.00 0.00 C ATOM 0 H PHE A 55 8.520 -0.095 5.102 1.00 0.00 H new ATOM 0 HA PHE A 55 10.364 -2.404 4.913 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.514 -1.092 2.915 1.00 0.00 H new ATOM 0 HB3 PHE A 55 9.760 -2.238 2.460 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.678 -4.582 3.414 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.446 -1.842 3.847 1.00 0.00 H new ATOM 0 HE1 PHE A 55 8.168 -6.448 3.942 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.935 -3.705 4.373 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.794 -6.011 4.424 1.00 0.00 H new ATOM 823 N ASP A 56 11.327 0.417 4.889 1.00 0.00 N ATOM 824 CA ASP A 56 12.465 1.324 4.745 1.00 0.00 C ATOM 825 C ASP A 56 12.362 2.199 3.504 1.00 0.00 C ATOM 826 O ASP A 56 13.367 2.706 3.008 1.00 0.00 O ATOM 827 CB ASP A 56 13.788 0.550 4.754 1.00 0.00 C ATOM 828 CG ASP A 56 14.145 0.037 6.135 1.00 0.00 C ATOM 829 OD1 ASP A 56 14.603 0.844 6.974 1.00 0.00 O ATOM 830 OD2 ASP A 56 13.971 -1.169 6.395 1.00 0.00 O ATOM 0 H ASP A 56 10.739 0.625 5.696 1.00 0.00 H new ATOM 0 HA ASP A 56 12.444 1.991 5.607 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.719 -0.290 4.063 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.587 1.196 4.391 1.00 0.00 H new ATOM 835 N VAL A 57 11.149 2.411 3.024 1.00 0.00 N ATOM 836 CA VAL A 57 10.927 3.332 1.924 1.00 0.00 C ATOM 837 C VAL A 57 10.113 4.517 2.426 1.00 0.00 C ATOM 838 O VAL A 57 9.360 4.392 3.393 1.00 0.00 O ATOM 839 CB VAL A 57 10.159 2.657 0.765 1.00 0.00 C ATOM 840 CG1 VAL A 57 8.746 2.319 1.206 1.00 0.00 C ATOM 841 CG2 VAL A 57 10.138 3.537 -0.476 1.00 0.00 C ATOM 0 H VAL A 57 10.305 1.959 3.377 1.00 0.00 H new ATOM 0 HA VAL A 57 11.899 3.656 1.551 1.00 0.00 H new ATOM 0 HB VAL A 57 10.679 1.736 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.212 1.844 0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.783 1.638 2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.227 3.233 1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.590 3.032 -1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.649 4.483 -0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.160 3.728 -0.804 1.00 0.00 H new ATOM 851 N LYS A 58 10.291 5.669 1.812 1.00 0.00 N ATOM 852 CA LYS A 58 9.412 6.781 2.081 1.00 0.00 C ATOM 853 C LYS A 58 9.014 7.463 0.781 1.00 0.00 C ATOM 854 O LYS A 58 9.848 8.053 0.091 1.00 0.00 O ATOM 855 CB LYS A 58 10.042 7.780 3.051 1.00 0.00 C ATOM 856 CG LYS A 58 9.077 8.219 4.144 1.00 0.00 C ATOM 857 CD LYS A 58 7.732 8.614 3.555 1.00 0.00 C ATOM 858 CE LYS A 58 6.650 8.741 4.609 1.00 0.00 C ATOM 859 NZ LYS A 58 5.309 8.875 3.985 1.00 0.00 N ATOM 0 H LYS A 58 11.028 5.856 1.132 1.00 0.00 H new ATOM 0 HA LYS A 58 8.515 6.390 2.561 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.924 7.331 3.508 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.381 8.655 2.497 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.941 7.409 4.861 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.500 9.061 4.691 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.834 9.563 3.028 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.430 7.871 2.817 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.666 7.866 5.259 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.850 9.609 5.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.651 9.306 4.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.378 9.478 3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.958 7.935 3.712 1.00 0.00 H new ATOM 873 N ILE A 59 7.737 7.368 0.464 1.00 0.00 N ATOM 874 CA ILE A 59 7.172 7.994 -0.712 1.00 0.00 C ATOM 875 C ILE A 59 6.418 9.246 -0.284 1.00 0.00 C ATOM 876 O ILE A 59 6.179 9.447 0.911 1.00 0.00 O ATOM 877 CB ILE A 59 6.198 7.038 -1.460 1.00 0.00 C ATOM 878 CG1 ILE A 59 4.861 6.912 -0.719 1.00 0.00 C ATOM 879 CG2 ILE A 59 6.822 5.659 -1.632 1.00 0.00 C ATOM 880 CD1 ILE A 59 3.856 6.046 -1.446 1.00 0.00 C ATOM 0 H ILE A 59 7.058 6.849 1.021 1.00 0.00 H new ATOM 0 HA ILE A 59 7.985 8.244 -1.394 1.00 0.00 H new ATOM 0 HB ILE A 59 6.009 7.469 -2.443 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.040 6.495 0.272 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.438 7.906 -0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.124 5.007 -2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.742 5.746 -2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.046 5.236 -0.653 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.932 5.998 -0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.649 6.474 -2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.261 5.041 -1.566 1.00 0.00 H new ATOM 892 N PRO A 60 6.069 10.129 -1.226 1.00 0.00 N ATOM 893 CA PRO A 60 5.225 11.278 -0.919 1.00 0.00 C ATOM 894 C PRO A 60 3.922 10.839 -0.265 1.00 0.00 C ATOM 895 O PRO A 60 3.159 10.074 -0.849 1.00 0.00 O ATOM 896 CB PRO A 60 4.955 11.906 -2.286 1.00 0.00 C ATOM 897 CG PRO A 60 6.080 11.447 -3.152 1.00 0.00 C ATOM 898 CD PRO A 60 6.471 10.088 -2.645 1.00 0.00 C ATOM 0 HA PRO A 60 5.696 11.968 -0.219 1.00 0.00 H new ATOM 0 HB2 PRO A 60 3.993 11.584 -2.685 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.925 12.994 -2.222 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.773 11.399 -4.197 1.00 0.00 H new ATOM 0 HG3 PRO A 60 6.920 12.139 -3.098 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.958 9.293 -3.186 1.00 0.00 H new ATOM 0 HD3 PRO A 60 7.541 9.909 -2.756 1.00 0.00 H new ATOM 906 N ASP A 61 3.688 11.301 0.957 1.00 0.00 N ATOM 907 CA ASP A 61 2.490 10.929 1.713 1.00 0.00 C ATOM 908 C ASP A 61 1.238 11.229 0.909 1.00 0.00 C ATOM 909 O ASP A 61 0.291 10.441 0.876 1.00 0.00 O ATOM 910 CB ASP A 61 2.450 11.685 3.044 1.00 0.00 C ATOM 911 CG ASP A 61 3.667 11.403 3.901 1.00 0.00 C ATOM 912 OD1 ASP A 61 4.761 11.914 3.570 1.00 0.00 O ATOM 913 OD2 ASP A 61 3.543 10.663 4.897 1.00 0.00 O ATOM 0 H ASP A 61 4.313 11.938 1.451 1.00 0.00 H new ATOM 0 HA ASP A 61 2.527 9.858 1.913 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.385 12.756 2.850 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.550 11.405 3.591 1.00 0.00 H new ATOM 918 N ASP A 62 1.262 12.369 0.238 1.00 0.00 N ATOM 919 CA ASP A 62 0.164 12.797 -0.613 1.00 0.00 C ATOM 920 C ASP A 62 -0.025 11.850 -1.799 1.00 0.00 C ATOM 921 O ASP A 62 -1.120 11.759 -2.360 1.00 0.00 O ATOM 922 CB ASP A 62 0.425 14.215 -1.124 1.00 0.00 C ATOM 923 CG ASP A 62 1.679 14.315 -1.978 1.00 0.00 C ATOM 924 OD1 ASP A 62 2.782 14.485 -1.411 1.00 0.00 O ATOM 925 OD2 ASP A 62 1.567 14.225 -3.219 1.00 0.00 O ATOM 0 H ASP A 62 2.043 13.024 0.268 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.749 12.782 -0.017 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.433 14.549 -1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.516 14.891 -0.274 1.00 0.00 H new ATOM 930 N ASP A 63 1.028 11.130 -2.166 1.00 0.00 N ATOM 931 CA ASP A 63 0.979 10.267 -3.340 1.00 0.00 C ATOM 932 C ASP A 63 0.238 8.976 -3.030 1.00 0.00 C ATOM 933 O ASP A 63 -0.342 8.369 -3.925 1.00 0.00 O ATOM 934 CB ASP A 63 2.380 9.961 -3.870 1.00 0.00 C ATOM 935 CG ASP A 63 2.346 9.326 -5.248 1.00 0.00 C ATOM 936 OD1 ASP A 63 2.035 10.045 -6.226 1.00 0.00 O ATOM 937 OD2 ASP A 63 2.635 8.118 -5.360 1.00 0.00 O ATOM 0 H ASP A 63 1.920 11.126 -1.672 1.00 0.00 H new ATOM 0 HA ASP A 63 0.436 10.804 -4.118 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.960 10.883 -3.911 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.891 9.293 -3.177 1.00 0.00 H new ATOM 942 N VAL A 64 0.221 8.568 -1.757 1.00 0.00 N ATOM 943 CA VAL A 64 -0.580 7.408 -1.361 1.00 0.00 C ATOM 944 C VAL A 64 -2.051 7.710 -1.629 1.00 0.00 C ATOM 945 O VAL A 64 -2.826 6.827 -1.967 1.00 0.00 O ATOM 946 CB VAL A 64 -0.394 7.013 0.126 1.00 0.00 C ATOM 947 CG1 VAL A 64 -1.180 5.748 0.445 1.00 0.00 C ATOM 948 CG2 VAL A 64 1.080 6.812 0.457 1.00 0.00 C ATOM 0 H VAL A 64 0.740 9.012 -1.000 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.237 6.560 -1.953 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.776 7.829 0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.037 5.486 1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.239 5.920 0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.826 4.931 -0.185 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.183 6.536 1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.489 6.019 -0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.624 7.738 0.271 1.00 0.00 H new ATOM 958 N LYS A 65 -2.410 8.982 -1.495 1.00 0.00 N ATOM 959 CA LYS A 65 -3.746 9.457 -1.838 1.00 0.00 C ATOM 960 C LYS A 65 -3.923 9.467 -3.358 1.00 0.00 C ATOM 961 O LYS A 65 -5.022 9.252 -3.879 1.00 0.00 O ATOM 962 CB LYS A 65 -3.948 10.875 -1.253 1.00 0.00 C ATOM 963 CG LYS A 65 -5.276 11.553 -1.609 1.00 0.00 C ATOM 964 CD LYS A 65 -5.292 12.127 -3.028 1.00 0.00 C ATOM 965 CE LYS A 65 -4.663 13.517 -3.126 1.00 0.00 C ATOM 966 NZ LYS A 65 -3.235 13.543 -2.710 1.00 0.00 N ATOM 0 H LYS A 65 -1.786 9.710 -1.147 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.495 8.789 -1.413 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.870 10.816 -0.167 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.132 11.511 -1.597 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.086 10.831 -1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.471 12.354 -0.896 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.760 11.447 -3.693 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.322 12.176 -3.381 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.742 13.873 -4.153 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.229 14.210 -2.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.758 14.351 -3.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.176 13.636 -1.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.771 12.660 -3.005 1.00 0.00 H new ATOM 980 N ASN A 66 -2.824 9.714 -4.052 1.00 0.00 N ATOM 981 CA ASN A 66 -2.830 9.904 -5.494 1.00 0.00 C ATOM 982 C ASN A 66 -3.080 8.580 -6.213 1.00 0.00 C ATOM 983 O ASN A 66 -3.803 8.526 -7.209 1.00 0.00 O ATOM 984 CB ASN A 66 -1.489 10.502 -5.930 1.00 0.00 C ATOM 985 CG ASN A 66 -1.425 10.821 -7.409 1.00 0.00 C ATOM 986 OD1 ASN A 66 -2.431 11.165 -8.033 1.00 0.00 O ATOM 987 ND2 ASN A 66 -0.234 10.715 -7.974 1.00 0.00 N ATOM 0 H ASN A 66 -1.899 9.789 -3.630 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.636 10.588 -5.760 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.304 11.413 -5.361 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.690 9.803 -5.682 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.120 10.922 -8.966 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.571 10.427 -7.417 1.00 0.00 H new ATOM 994 N LEU A 67 -2.478 7.517 -5.698 1.00 0.00 N ATOM 995 CA LEU A 67 -2.669 6.184 -6.252 1.00 0.00 C ATOM 996 C LEU A 67 -4.019 5.618 -5.847 1.00 0.00 C ATOM 997 O LEU A 67 -4.406 5.657 -4.680 1.00 0.00 O ATOM 998 CB LEU A 67 -1.525 5.262 -5.822 1.00 0.00 C ATOM 999 CG LEU A 67 -1.166 5.313 -4.335 1.00 0.00 C ATOM 1000 CD1 LEU A 67 -1.772 4.137 -3.581 1.00 0.00 C ATOM 1001 CD2 LEU A 67 0.345 5.333 -4.163 1.00 0.00 C ATOM 0 H LEU A 67 -1.851 7.552 -4.894 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.657 6.254 -7.340 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.791 4.237 -6.080 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.638 5.517 -6.402 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.583 6.228 -3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.499 4.201 -2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.857 4.163 -3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.393 3.204 -3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.590 5.369 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.773 4.433 -4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.756 6.211 -4.660 1.00 0.00 H new ATOM 1013 N LYS A 68 -4.738 5.096 -6.827 1.00 0.00 N ATOM 1014 CA LYS A 68 -6.101 4.646 -6.610 1.00 0.00 C ATOM 1015 C LYS A 68 -6.185 3.129 -6.553 1.00 0.00 C ATOM 1016 O LYS A 68 -7.260 2.577 -6.354 1.00 0.00 O ATOM 1017 CB LYS A 68 -7.028 5.193 -7.699 1.00 0.00 C ATOM 1018 CG LYS A 68 -7.041 6.713 -7.776 1.00 0.00 C ATOM 1019 CD LYS A 68 -7.379 7.343 -6.433 1.00 0.00 C ATOM 1020 CE LYS A 68 -7.378 8.859 -6.523 1.00 0.00 C ATOM 1021 NZ LYS A 68 -7.662 9.500 -5.213 1.00 0.00 N ATOM 0 H LYS A 68 -4.399 4.974 -7.781 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.427 5.034 -5.645 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.719 4.791 -8.664 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.042 4.837 -7.515 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.066 7.069 -8.109 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.769 7.033 -8.521 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.358 6.996 -6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.656 7.020 -5.684 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.409 9.199 -6.889 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.124 9.178 -7.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.951 10.487 -5.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.427 8.985 -4.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.806 9.477 -4.623 1.00 0.00 H new ATOM 1035 N THR A 69 -5.056 2.453 -6.729 1.00 0.00 N ATOM 1036 CA THR A 69 -5.006 1.003 -6.588 1.00 0.00 C ATOM 1037 C THR A 69 -3.907 0.622 -5.610 1.00 0.00 C ATOM 1038 O THR A 69 -2.892 1.318 -5.512 1.00 0.00 O ATOM 1039 CB THR A 69 -4.762 0.293 -7.941 1.00 0.00 C ATOM 1040 OG1 THR A 69 -3.488 0.663 -8.473 1.00 0.00 O ATOM 1041 CG2 THR A 69 -5.841 0.659 -8.939 1.00 0.00 C ATOM 0 H THR A 69 -4.164 2.885 -6.969 1.00 0.00 H new ATOM 0 HA THR A 69 -5.976 0.676 -6.213 1.00 0.00 H new ATOM 0 HB THR A 69 -4.786 -0.782 -7.765 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.615 1.215 -9.272 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.651 0.149 -9.884 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.813 0.355 -8.552 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.836 1.737 -9.101 1.00 0.00 H new ATOM 1049 N VAL A 70 -4.103 -0.465 -4.874 1.00 0.00 N ATOM 1050 CA VAL A 70 -3.081 -0.921 -3.945 1.00 0.00 C ATOM 1051 C VAL A 70 -1.851 -1.376 -4.715 1.00 0.00 C ATOM 1052 O VAL A 70 -0.721 -1.198 -4.269 1.00 0.00 O ATOM 1053 CB VAL A 70 -3.598 -2.049 -3.014 1.00 0.00 C ATOM 1054 CG1 VAL A 70 -4.431 -3.050 -3.780 1.00 0.00 C ATOM 1055 CG2 VAL A 70 -2.446 -2.753 -2.305 1.00 0.00 C ATOM 0 H VAL A 70 -4.946 -1.038 -4.902 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.813 -0.082 -3.303 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.230 -1.582 -2.259 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.779 -3.829 -3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.289 -2.545 -4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.826 -3.499 -4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.841 -3.538 -1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.778 -3.193 -3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.894 -2.032 -1.702 1.00 0.00 H new ATOM 1065 N GLY A 71 -2.076 -1.917 -5.900 1.00 0.00 N ATOM 1066 CA GLY A 71 -0.983 -2.414 -6.692 1.00 0.00 C ATOM 1067 C GLY A 71 -0.072 -1.317 -7.189 1.00 0.00 C ATOM 1068 O GLY A 71 1.149 -1.456 -7.134 1.00 0.00 O ATOM 0 H GLY A 71 -2.998 -2.019 -6.325 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.403 -3.121 -6.099 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.380 -2.964 -7.545 1.00 0.00 H new ATOM 1072 N ASP A 72 -0.662 -0.224 -7.662 1.00 0.00 N ATOM 1073 CA ASP A 72 0.112 0.920 -8.131 1.00 0.00 C ATOM 1074 C ASP A 72 1.002 1.433 -7.009 1.00 0.00 C ATOM 1075 O ASP A 72 2.172 1.744 -7.224 1.00 0.00 O ATOM 1076 CB ASP A 72 -0.822 2.027 -8.624 1.00 0.00 C ATOM 1077 CG ASP A 72 -0.086 3.174 -9.286 1.00 0.00 C ATOM 1078 OD1 ASP A 72 0.671 2.927 -10.251 1.00 0.00 O ATOM 1079 OD2 ASP A 72 -0.298 4.331 -8.873 1.00 0.00 O ATOM 0 H ASP A 72 -1.673 -0.106 -7.731 1.00 0.00 H new ATOM 0 HA ASP A 72 0.741 0.607 -8.964 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.535 1.604 -9.332 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.398 2.410 -7.782 1.00 0.00 H new ATOM 1084 N ALA A 73 0.436 1.479 -5.805 1.00 0.00 N ATOM 1085 CA ALA A 73 1.185 1.847 -4.608 1.00 0.00 C ATOM 1086 C ALA A 73 2.335 0.908 -4.378 1.00 0.00 C ATOM 1087 O ALA A 73 3.495 1.309 -4.330 1.00 0.00 O ATOM 1088 CB ALA A 73 0.306 1.760 -3.385 1.00 0.00 C ATOM 0 H ALA A 73 -0.546 1.264 -5.633 1.00 0.00 H new ATOM 0 HA ALA A 73 1.545 2.864 -4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.882 2.038 -2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.539 2.439 -3.495 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.061 0.740 -3.272 1.00 0.00 H new ATOM 1094 N THR A 74 1.977 -0.352 -4.220 1.00 0.00 N ATOM 1095 CA THR A 74 2.913 -1.375 -3.845 1.00 0.00 C ATOM 1096 C THR A 74 4.051 -1.469 -4.851 1.00 0.00 C ATOM 1097 O THR A 74 5.216 -1.470 -4.473 1.00 0.00 O ATOM 1098 CB THR A 74 2.202 -2.730 -3.711 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.008 -2.585 -2.931 1.00 0.00 O ATOM 1100 CG2 THR A 74 3.095 -3.719 -3.018 1.00 0.00 C ATOM 0 H THR A 74 1.023 -0.688 -4.351 1.00 0.00 H new ATOM 0 HA THR A 74 3.338 -1.107 -2.878 1.00 0.00 H new ATOM 0 HB THR A 74 1.957 -3.084 -4.712 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.256 -2.370 -3.521 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.579 -4.675 -2.929 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.009 -3.852 -3.597 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.346 -3.349 -2.024 1.00 0.00 H new ATOM 1108 N LYS A 75 3.713 -1.492 -6.135 1.00 0.00 N ATOM 1109 CA LYS A 75 4.721 -1.595 -7.181 1.00 0.00 C ATOM 1110 C LYS A 75 5.593 -0.338 -7.203 1.00 0.00 C ATOM 1111 O LYS A 75 6.782 -0.412 -7.490 1.00 0.00 O ATOM 1112 CB LYS A 75 4.059 -1.805 -8.543 1.00 0.00 C ATOM 1113 CG LYS A 75 4.964 -2.462 -9.579 1.00 0.00 C ATOM 1114 CD LYS A 75 5.219 -3.932 -9.262 1.00 0.00 C ATOM 1115 CE LYS A 75 5.819 -4.651 -10.460 1.00 0.00 C ATOM 1116 NZ LYS A 75 5.944 -6.117 -10.243 1.00 0.00 N ATOM 0 H LYS A 75 2.753 -1.441 -6.475 1.00 0.00 H new ATOM 0 HA LYS A 75 5.354 -2.456 -6.968 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.169 -2.420 -8.412 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.726 -0.840 -8.926 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.508 -2.377 -10.565 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.914 -1.930 -9.621 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.894 -4.012 -8.410 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.284 -4.413 -8.975 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.198 -4.469 -11.337 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.803 -4.234 -10.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.740 -6.618 -11.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.911 -6.341 -9.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.268 -6.419 -9.512 1.00 0.00 H new ATOM 1130 N TYR A 76 4.995 0.811 -6.879 1.00 0.00 N ATOM 1131 CA TYR A 76 5.737 2.067 -6.765 1.00 0.00 C ATOM 1132 C TYR A 76 6.699 2.002 -5.579 1.00 0.00 C ATOM 1133 O TYR A 76 7.850 2.434 -5.670 1.00 0.00 O ATOM 1134 CB TYR A 76 4.762 3.244 -6.617 1.00 0.00 C ATOM 1135 CG TYR A 76 5.419 4.586 -6.386 1.00 0.00 C ATOM 1136 CD1 TYR A 76 6.249 5.155 -7.343 1.00 0.00 C ATOM 1137 CD2 TYR A 76 5.210 5.283 -5.203 1.00 0.00 C ATOM 1138 CE1 TYR A 76 6.847 6.382 -7.130 1.00 0.00 C ATOM 1139 CE2 TYR A 76 5.804 6.509 -4.982 1.00 0.00 C ATOM 1140 CZ TYR A 76 6.623 7.053 -5.946 1.00 0.00 C ATOM 1141 OH TYR A 76 7.222 8.272 -5.726 1.00 0.00 O ATOM 0 H TYR A 76 3.996 0.896 -6.691 1.00 0.00 H new ATOM 0 HA TYR A 76 6.322 2.220 -7.672 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.149 3.305 -7.516 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.088 3.037 -5.786 1.00 0.00 H new ATOM 0 HD1 TYR A 76 6.430 4.630 -8.269 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.571 4.858 -4.443 1.00 0.00 H new ATOM 0 HE1 TYR A 76 7.486 6.813 -7.886 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.627 7.039 -4.058 1.00 0.00 H new ATOM 0 HH TYR A 76 7.351 8.732 -6.582 1.00 0.00 H new ATOM 1151 N ILE A 77 6.213 1.448 -4.474 1.00 0.00 N ATOM 1152 CA ILE A 77 7.043 1.181 -3.303 1.00 0.00 C ATOM 1153 C ILE A 77 8.205 0.268 -3.676 1.00 0.00 C ATOM 1154 O ILE A 77 9.352 0.522 -3.323 1.00 0.00 O ATOM 1155 CB ILE A 77 6.212 0.518 -2.180 1.00 0.00 C ATOM 1156 CG1 ILE A 77 5.263 1.542 -1.555 1.00 0.00 C ATOM 1157 CG2 ILE A 77 7.115 -0.100 -1.117 1.00 0.00 C ATOM 1158 CD1 ILE A 77 4.292 0.942 -0.563 1.00 0.00 C ATOM 0 H ILE A 77 5.237 1.172 -4.364 1.00 0.00 H new ATOM 0 HA ILE A 77 7.430 2.134 -2.942 1.00 0.00 H new ATOM 0 HB ILE A 77 5.622 -0.286 -2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.851 2.312 -1.055 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.701 2.035 -2.348 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.502 -0.558 -0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.749 -0.859 -1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.740 0.676 -0.675 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.651 1.727 -0.161 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.678 0.193 -1.063 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.846 0.474 0.251 1.00 0.00 H new ATOM 1170 N LEU A 78 7.883 -0.782 -4.410 1.00 0.00 N ATOM 1171 CA LEU A 78 8.857 -1.777 -4.831 1.00 0.00 C ATOM 1172 C LEU A 78 9.867 -1.185 -5.809 1.00 0.00 C ATOM 1173 O LEU A 78 11.059 -1.491 -5.757 1.00 0.00 O ATOM 1174 CB LEU A 78 8.121 -2.949 -5.479 1.00 0.00 C ATOM 1175 CG LEU A 78 7.062 -3.612 -4.595 1.00 0.00 C ATOM 1176 CD1 LEU A 78 6.356 -4.720 -5.358 1.00 0.00 C ATOM 1177 CD2 LEU A 78 7.717 -4.164 -3.345 1.00 0.00 C ATOM 0 H LEU A 78 6.934 -0.971 -4.733 1.00 0.00 H new ATOM 0 HA LEU A 78 9.409 -2.121 -3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.642 -2.598 -6.393 1.00 0.00 H new ATOM 0 HB3 LEU A 78 8.853 -3.702 -5.771 1.00 0.00 H new ATOM 0 HG LEU A 78 6.319 -2.868 -4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.606 -5.182 -4.717 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.871 -4.302 -6.241 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.084 -5.471 -5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.962 -4.636 -2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.469 -4.902 -3.624 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.192 -3.352 -2.794 1.00 0.00 H new ATOM 1189 N ASP A 79 9.380 -0.321 -6.683 1.00 0.00 N ATOM 1190 CA ASP A 79 10.198 0.287 -7.724 1.00 0.00 C ATOM 1191 C ASP A 79 11.129 1.356 -7.144 1.00 0.00 C ATOM 1192 O ASP A 79 12.141 1.703 -7.747 1.00 0.00 O ATOM 1193 CB ASP A 79 9.285 0.899 -8.795 1.00 0.00 C ATOM 1194 CG ASP A 79 10.048 1.493 -9.961 1.00 0.00 C ATOM 1195 OD1 ASP A 79 10.891 0.784 -10.545 1.00 0.00 O ATOM 1196 OD2 ASP A 79 9.783 2.663 -10.316 1.00 0.00 O ATOM 0 H ASP A 79 8.406 -0.020 -6.693 1.00 0.00 H new ATOM 0 HA ASP A 79 10.822 -0.486 -8.174 1.00 0.00 H new ATOM 0 HB2 ASP A 79 8.606 0.131 -9.167 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.670 1.675 -8.339 1.00 0.00 H new ATOM 1201 N HIS A 80 10.788 1.875 -5.968 1.00 0.00 N ATOM 1202 CA HIS A 80 11.570 2.948 -5.353 1.00 0.00 C ATOM 1203 C HIS A 80 11.954 2.628 -3.915 1.00 0.00 C ATOM 1204 O HIS A 80 12.137 3.532 -3.104 1.00 0.00 O ATOM 1205 CB HIS A 80 10.782 4.255 -5.378 1.00 0.00 C ATOM 1206 CG HIS A 80 10.693 4.884 -6.735 1.00 0.00 C ATOM 1207 ND1 HIS A 80 11.502 5.922 -7.140 1.00 0.00 N ATOM 1208 CD2 HIS A 80 9.890 4.608 -7.790 1.00 0.00 C ATOM 1209 CE1 HIS A 80 11.202 6.254 -8.382 1.00 0.00 C ATOM 1210 NE2 HIS A 80 10.225 5.474 -8.803 1.00 0.00 N ATOM 0 H HIS A 80 9.980 1.574 -5.423 1.00 0.00 H new ATOM 0 HA HIS A 80 12.486 3.048 -5.936 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.774 4.067 -5.008 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.247 4.962 -4.691 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.126 3.846 -7.828 1.00 0.00 H new ATOM 0 HE1 HIS A 80 11.677 7.034 -8.958 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.791 5.508 -9.725 1.00 0.00 H new ATOM 1219 N GLN A 81 12.099 1.354 -3.609 1.00 0.00 N ATOM 1220 CA GLN A 81 12.406 0.931 -2.248 1.00 0.00 C ATOM 1221 C GLN A 81 13.888 1.107 -1.930 1.00 0.00 C ATOM 1222 O GLN A 81 14.664 1.563 -2.772 1.00 0.00 O ATOM 1223 CB GLN A 81 11.983 -0.521 -2.052 1.00 0.00 C ATOM 1224 CG GLN A 81 12.606 -1.486 -3.047 1.00 0.00 C ATOM 1225 CD GLN A 81 12.068 -2.895 -2.903 1.00 0.00 C ATOM 1226 OE1 GLN A 81 12.747 -3.868 -3.221 1.00 0.00 O ATOM 1227 NE2 GLN A 81 10.839 -3.021 -2.427 1.00 0.00 N ATOM 0 H GLN A 81 12.010 0.591 -4.280 1.00 0.00 H new ATOM 0 HA GLN A 81 11.847 1.563 -1.558 1.00 0.00 H new ATOM 0 HB2 GLN A 81 12.250 -0.833 -1.042 1.00 0.00 H new ATOM 0 HB3 GLN A 81 10.898 -0.586 -2.129 1.00 0.00 H new ATOM 0 HG2 GLN A 81 12.418 -1.130 -4.060 1.00 0.00 H new ATOM 0 HG3 GLN A 81 13.687 -1.497 -2.909 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.303 -2.191 -2.173 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.428 -3.948 -2.315 1.00 0.00 H new