USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 806 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 44 GLN : amide:sc= 0.425 X(o=-0.71,f=-1.1) USER MOD Set 1.2: A 76 MET CE :methyl -169:sc= -1.14 (180deg=-1.24) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.446 X(o=-0.45,f=-0.081) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-0.34) USER MOD Single : A 35 ASN : amide:sc=-0.00526 X(o=-0.0053,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 88:sc= 0.0115 USER MOD Single : A 42 ASN : amide:sc= -0.332 X(o=-0.33,f=-0.046) USER MOD Single : A 46 LYS NZ :NH3+ -149:sc= 0.517 (180deg=0.133) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.25) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 55 LYS NZ :NH3+ -161:sc= 0.104 (180deg=0.0248) USER MOD Single : A 57 LYS NZ :NH3+ 178:sc= -0.882 (180deg=-0.95) USER MOD Single : A 58 LYS NZ :NH3+ 137:sc= 1.15 (180deg=-0.129) USER MOD Single : A 62 HIS : no HD1:sc= -1.55 K(o=-1.5,f=-2.3) USER MOD Single : A 63 CYS SG : rot 64:sc= -2.05 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 80:sc= 0.308 USER MOD Single : A 77 HIS : no HD1:sc= -0.854 K(o=-0.85,f=-2.2!) USER MOD Single : A 81 TYR OH : rot 165:sc= -0.237 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 19:sc= -0.31 USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 91 TYR OH : rot 34:sc= 0.194 USER MOD Single : A 95 LYS NZ :NH3+ 146:sc= -0.341 (180deg=-1.99!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 170:sc= -2.81! (180deg=-3.14!) USER MOD Single : A 102 TYR OH : rot 66:sc= 0.188 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -5.341 12.700 -6.770 1.00 0.00 N ATOM 21 CA LEU A 2 -4.892 11.291 -6.610 1.00 0.00 C ATOM 22 C LEU A 2 -5.957 10.256 -7.036 1.00 0.00 C ATOM 23 O LEU A 2 -5.752 9.053 -6.870 1.00 0.00 O ATOM 24 CB LEU A 2 -4.377 11.009 -5.169 1.00 0.00 C ATOM 25 CG LEU A 2 -5.417 10.655 -4.057 1.00 0.00 C ATOM 26 CD1 LEU A 2 -4.693 10.230 -2.769 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.395 11.804 -3.769 1.00 0.00 C ATOM 0 HA LEU A 2 -4.055 11.169 -7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.663 10.187 -5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -3.825 11.888 -4.837 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.013 9.823 -4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.428 9.986 -2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.075 9.355 -2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.062 11.047 -2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.093 11.501 -2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.839 12.681 -3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.948 12.047 -4.676 1.00 0.00 H new ATOM 39 N GLU A 3 -7.071 10.735 -7.607 1.00 0.00 N ATOM 40 CA GLU A 3 -8.138 9.865 -8.173 1.00 0.00 C ATOM 41 C GLU A 3 -7.532 8.978 -9.293 1.00 0.00 C ATOM 42 O GLU A 3 -7.895 7.816 -9.455 1.00 0.00 O ATOM 43 CB GLU A 3 -9.364 10.688 -8.752 1.00 0.00 C ATOM 44 CG GLU A 3 -9.411 12.199 -8.438 1.00 0.00 C ATOM 45 CD GLU A 3 -9.541 12.532 -6.942 1.00 0.00 C ATOM 46 OE1 GLU A 3 -10.653 12.403 -6.391 1.00 0.00 O ATOM 47 OE2 GLU A 3 -8.528 12.915 -6.314 1.00 0.00 O ATOM 0 H GLU A 3 -7.267 11.732 -7.695 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.523 9.252 -7.358 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.370 10.568 -9.835 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -10.282 10.236 -8.376 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.506 12.667 -8.825 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.252 12.643 -8.971 1.00 0.00 H new ATOM 54 N ASP A 4 -6.597 9.583 -10.050 1.00 0.00 N ATOM 55 CA ASP A 4 -5.844 8.925 -11.140 1.00 0.00 C ATOM 56 C ASP A 4 -4.806 7.925 -10.580 1.00 0.00 C ATOM 57 O ASP A 4 -4.438 6.957 -11.250 1.00 0.00 O ATOM 58 CB ASP A 4 -5.133 10.000 -12.005 1.00 0.00 C ATOM 59 CG ASP A 4 -6.110 11.034 -12.596 1.00 0.00 C ATOM 60 OD1 ASP A 4 -6.547 11.944 -11.850 1.00 0.00 O ATOM 61 OD2 ASP A 4 -6.438 10.951 -13.802 1.00 0.00 O ATOM 0 H ASP A 4 -6.337 10.561 -9.920 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.549 8.367 -11.756 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.390 10.516 -11.397 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.596 9.509 -12.817 1.00 0.00 H new ATOM 66 N TYR A 5 -4.356 8.178 -9.336 1.00 0.00 N ATOM 67 CA TYR A 5 -3.363 7.334 -8.626 1.00 0.00 C ATOM 68 C TYR A 5 -4.027 6.075 -8.009 1.00 0.00 C ATOM 69 O TYR A 5 -3.337 5.235 -7.410 1.00 0.00 O ATOM 70 CB TYR A 5 -2.644 8.160 -7.511 1.00 0.00 C ATOM 71 CG TYR A 5 -1.740 9.318 -8.007 1.00 0.00 C ATOM 72 CD1 TYR A 5 -2.232 10.331 -8.839 1.00 0.00 C ATOM 73 CD2 TYR A 5 -0.399 9.404 -7.616 1.00 0.00 C ATOM 74 CE1 TYR A 5 -1.426 11.373 -9.256 1.00 0.00 C ATOM 75 CE2 TYR A 5 0.409 10.442 -8.039 1.00 0.00 C ATOM 76 CZ TYR A 5 -0.109 11.425 -8.856 1.00 0.00 C ATOM 77 OH TYR A 5 0.686 12.476 -9.263 1.00 0.00 O ATOM 0 H TYR A 5 -4.671 8.978 -8.788 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.626 7.004 -9.358 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.402 8.575 -6.846 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.036 7.479 -6.915 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.262 10.297 -9.161 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.013 8.643 -6.970 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.828 12.146 -9.895 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.443 10.483 -7.731 1.00 0.00 H new ATOM 0 HH TYR A 5 1.588 12.366 -8.895 1.00 0.00 H new ATOM 87 N ALA A 6 -5.370 5.977 -8.142 1.00 0.00 N ATOM 88 CA ALA A 6 -6.168 4.841 -7.640 1.00 0.00 C ATOM 89 C ALA A 6 -5.971 3.602 -8.521 1.00 0.00 C ATOM 90 O ALA A 6 -6.696 3.400 -9.508 1.00 0.00 O ATOM 91 CB ALA A 6 -7.659 5.229 -7.560 1.00 0.00 C ATOM 0 H ALA A 6 -5.932 6.691 -8.605 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.822 4.593 -6.636 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.236 4.382 -7.188 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.779 6.075 -6.883 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.017 5.505 -8.552 1.00 0.00 H new ATOM 97 N ILE A 7 -4.951 2.802 -8.190 1.00 0.00 N ATOM 98 CA ILE A 7 -4.656 1.555 -8.906 1.00 0.00 C ATOM 99 C ILE A 7 -5.543 0.432 -8.343 1.00 0.00 C ATOM 100 O ILE A 7 -5.612 0.241 -7.126 1.00 0.00 O ATOM 101 CB ILE A 7 -3.125 1.175 -8.826 1.00 0.00 C ATOM 102 CG1 ILE A 7 -2.257 2.376 -9.346 1.00 0.00 C ATOM 103 CG2 ILE A 7 -2.826 -0.128 -9.617 1.00 0.00 C ATOM 104 CD1 ILE A 7 -0.770 2.101 -9.522 1.00 0.00 C ATOM 0 H ILE A 7 -4.309 2.999 -7.422 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.880 1.697 -9.963 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.863 0.981 -7.786 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.661 2.702 -10.304 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.372 3.208 -8.652 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.764 -0.363 -9.543 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.409 -0.949 -9.200 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.094 0.012 -10.664 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.274 3.001 -9.885 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.338 1.809 -8.565 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.632 1.295 -10.243 1.00 0.00 H new ATOM 116 N SER A 8 -6.255 -0.261 -9.238 1.00 0.00 N ATOM 117 CA SER A 8 -7.135 -1.390 -8.883 1.00 0.00 C ATOM 118 C SER A 8 -6.361 -2.718 -8.955 1.00 0.00 C ATOM 119 O SER A 8 -5.320 -2.802 -9.616 1.00 0.00 O ATOM 120 CB SER A 8 -8.347 -1.408 -9.834 1.00 0.00 C ATOM 121 OG SER A 8 -9.047 -0.180 -9.779 1.00 0.00 O ATOM 0 H SER A 8 -6.240 -0.056 -10.237 1.00 0.00 H new ATOM 0 HA SER A 8 -7.489 -1.266 -7.860 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.012 -1.595 -10.854 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.015 -2.225 -9.563 1.00 0.00 H new ATOM 0 HG SER A 8 -9.812 -0.212 -10.391 1.00 0.00 H new ATOM 127 N LEU A 9 -6.884 -3.751 -8.286 1.00 0.00 N ATOM 128 CA LEU A 9 -6.224 -5.069 -8.179 1.00 0.00 C ATOM 129 C LEU A 9 -6.246 -5.836 -9.530 1.00 0.00 C ATOM 130 O LEU A 9 -5.343 -6.633 -9.832 1.00 0.00 O ATOM 131 CB LEU A 9 -6.902 -5.873 -7.035 1.00 0.00 C ATOM 132 CG LEU A 9 -6.394 -7.326 -6.784 1.00 0.00 C ATOM 133 CD1 LEU A 9 -4.856 -7.387 -6.644 1.00 0.00 C ATOM 134 CD2 LEU A 9 -7.092 -7.944 -5.554 1.00 0.00 C ATOM 0 H LEU A 9 -7.779 -3.703 -7.800 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.170 -4.929 -7.937 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.783 -5.309 -6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.971 -5.921 -7.244 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.656 -7.919 -7.660 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.547 -8.418 -6.470 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.392 -7.019 -7.559 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.542 -6.768 -5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.723 -8.958 -5.397 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.878 -7.340 -4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.169 -7.972 -5.722 1.00 0.00 H new ATOM 146 N GLU A 10 -7.257 -5.542 -10.351 1.00 0.00 N ATOM 147 CA GLU A 10 -7.449 -6.172 -11.673 1.00 0.00 C ATOM 148 C GLU A 10 -6.579 -5.502 -12.773 1.00 0.00 C ATOM 149 O GLU A 10 -6.607 -5.934 -13.930 1.00 0.00 O ATOM 150 CB GLU A 10 -8.965 -6.184 -12.073 1.00 0.00 C ATOM 151 CG GLU A 10 -9.753 -4.872 -11.806 1.00 0.00 C ATOM 152 CD GLU A 10 -10.438 -4.824 -10.419 1.00 0.00 C ATOM 153 OE1 GLU A 10 -9.798 -4.408 -9.428 1.00 0.00 O ATOM 154 OE2 GLU A 10 -11.620 -5.224 -10.316 1.00 0.00 O ATOM 0 H GLU A 10 -7.975 -4.855 -10.121 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.112 -7.205 -11.591 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.038 -6.418 -13.135 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.456 -6.995 -11.534 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.071 -4.026 -11.893 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.511 -4.751 -12.579 1.00 0.00 H new ATOM 161 N GLU A 11 -5.790 -4.472 -12.405 1.00 0.00 N ATOM 162 CA GLU A 11 -4.867 -3.779 -13.343 1.00 0.00 C ATOM 163 C GLU A 11 -3.450 -3.646 -12.750 1.00 0.00 C ATOM 164 O GLU A 11 -2.537 -3.176 -13.440 1.00 0.00 O ATOM 165 CB GLU A 11 -5.409 -2.367 -13.696 1.00 0.00 C ATOM 166 CG GLU A 11 -5.611 -1.452 -12.469 1.00 0.00 C ATOM 167 CD GLU A 11 -5.966 0.002 -12.799 1.00 0.00 C ATOM 168 OE1 GLU A 11 -6.907 0.232 -13.585 1.00 0.00 O ATOM 169 OE2 GLU A 11 -5.307 0.922 -12.273 1.00 0.00 O ATOM 0 H GLU A 11 -5.770 -4.095 -11.457 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.809 -4.386 -14.246 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.717 -1.885 -14.387 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.360 -2.473 -14.219 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.402 -1.872 -11.848 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.698 -1.461 -11.873 1.00 0.00 H new ATOM 176 N VAL A 12 -3.268 -4.062 -11.482 1.00 0.00 N ATOM 177 CA VAL A 12 -2.027 -3.789 -10.724 1.00 0.00 C ATOM 178 C VAL A 12 -0.863 -4.703 -11.167 1.00 0.00 C ATOM 179 O VAL A 12 -1.084 -5.801 -11.689 1.00 0.00 O ATOM 180 CB VAL A 12 -2.258 -3.939 -9.170 1.00 0.00 C ATOM 181 CG1 VAL A 12 -2.463 -5.407 -8.743 1.00 0.00 C ATOM 182 CG2 VAL A 12 -1.126 -3.270 -8.357 1.00 0.00 C ATOM 0 H VAL A 12 -3.966 -4.590 -10.958 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.753 -2.757 -10.944 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.185 -3.412 -8.944 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.618 -5.454 -7.665 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.335 -5.816 -9.253 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.581 -5.990 -9.009 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.321 -3.394 -7.292 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.173 -3.736 -8.609 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.085 -2.207 -8.597 1.00 0.00 H new ATOM 192 N ASN A 13 0.371 -4.207 -10.983 1.00 0.00 N ATOM 193 CA ASN A 13 1.603 -5.004 -11.090 1.00 0.00 C ATOM 194 C ASN A 13 2.468 -4.660 -9.866 1.00 0.00 C ATOM 195 O ASN A 13 3.257 -3.723 -9.929 1.00 0.00 O ATOM 196 CB ASN A 13 2.384 -4.687 -12.408 1.00 0.00 C ATOM 197 CG ASN A 13 1.528 -4.740 -13.678 1.00 0.00 C ATOM 198 OD1 ASN A 13 1.346 -5.797 -14.275 1.00 0.00 O ATOM 199 ND2 ASN A 13 1.003 -3.598 -14.107 1.00 0.00 N ATOM 0 H ASN A 13 0.543 -3.228 -10.753 1.00 0.00 H new ATOM 0 HA ASN A 13 1.357 -6.065 -11.119 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.827 -3.695 -12.324 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.206 -5.396 -12.508 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.432 -3.585 -14.952 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.170 -2.734 -13.591 1.00 0.00 H new ATOM 206 N PHE A 14 2.275 -5.376 -8.734 1.00 0.00 N ATOM 207 CA PHE A 14 2.998 -5.083 -7.457 1.00 0.00 C ATOM 208 C PHE A 14 4.529 -5.099 -7.642 1.00 0.00 C ATOM 209 O PHE A 14 5.248 -4.325 -7.009 1.00 0.00 O ATOM 210 CB PHE A 14 2.596 -6.078 -6.337 1.00 0.00 C ATOM 211 CG PHE A 14 1.152 -5.936 -5.865 1.00 0.00 C ATOM 212 CD1 PHE A 14 0.731 -4.776 -5.228 1.00 0.00 C ATOM 213 CD2 PHE A 14 0.227 -6.955 -6.042 1.00 0.00 C ATOM 214 CE1 PHE A 14 -0.571 -4.643 -4.792 1.00 0.00 C ATOM 215 CE2 PHE A 14 -1.076 -6.823 -5.608 1.00 0.00 C ATOM 216 CZ PHE A 14 -1.472 -5.668 -4.980 1.00 0.00 C ATOM 0 H PHE A 14 1.627 -6.161 -8.671 1.00 0.00 H new ATOM 0 HA PHE A 14 2.701 -4.078 -7.159 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.751 -7.095 -6.697 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.261 -5.937 -5.485 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.431 -3.969 -5.072 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.533 -7.869 -6.529 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.885 -3.733 -4.302 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.782 -7.626 -5.762 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.490 -5.563 -4.634 1.00 0.00 H new ATOM 226 N ASN A 15 4.990 -5.985 -8.533 1.00 0.00 N ATOM 227 CA ASN A 15 6.411 -6.106 -8.927 1.00 0.00 C ATOM 228 C ASN A 15 6.972 -4.791 -9.535 1.00 0.00 C ATOM 229 O ASN A 15 8.151 -4.473 -9.360 1.00 0.00 O ATOM 230 CB ASN A 15 6.572 -7.285 -9.930 1.00 0.00 C ATOM 231 CG ASN A 15 5.612 -7.200 -11.129 1.00 0.00 C ATOM 232 OD1 ASN A 15 5.909 -6.579 -12.150 1.00 0.00 O ATOM 233 ND2 ASN A 15 4.447 -7.826 -11.015 1.00 0.00 N ATOM 0 H ASN A 15 4.383 -6.651 -9.011 1.00 0.00 H new ATOM 0 HA ASN A 15 6.991 -6.306 -8.026 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.599 -7.304 -10.296 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.404 -8.225 -9.405 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.776 -7.799 -11.783 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.223 -8.334 -10.160 1.00 0.00 H new ATOM 240 N ASP A 16 6.099 -4.032 -10.224 1.00 0.00 N ATOM 241 CA ASP A 16 6.465 -2.776 -10.923 1.00 0.00 C ATOM 242 C ASP A 16 6.704 -1.619 -9.930 1.00 0.00 C ATOM 243 O ASP A 16 7.413 -0.662 -10.253 1.00 0.00 O ATOM 244 CB ASP A 16 5.346 -2.392 -11.941 1.00 0.00 C ATOM 245 CG ASP A 16 5.695 -1.208 -12.872 1.00 0.00 C ATOM 246 OD1 ASP A 16 6.830 -1.164 -13.402 1.00 0.00 O ATOM 247 OD2 ASP A 16 4.832 -0.338 -13.113 1.00 0.00 O ATOM 0 H ASP A 16 5.112 -4.271 -10.315 1.00 0.00 H new ATOM 0 HA ASP A 16 7.399 -2.948 -11.457 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.118 -3.263 -12.555 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.440 -2.146 -11.388 1.00 0.00 H new ATOM 252 N PHE A 17 6.116 -1.707 -8.712 1.00 0.00 N ATOM 253 CA PHE A 17 6.198 -0.622 -7.697 1.00 0.00 C ATOM 254 C PHE A 17 6.908 -1.133 -6.418 1.00 0.00 C ATOM 255 O PHE A 17 7.070 -2.344 -6.222 1.00 0.00 O ATOM 256 CB PHE A 17 4.769 -0.079 -7.330 1.00 0.00 C ATOM 257 CG PHE A 17 3.737 -0.124 -8.467 1.00 0.00 C ATOM 258 CD1 PHE A 17 3.814 0.750 -9.534 1.00 0.00 C ATOM 259 CD2 PHE A 17 2.698 -1.050 -8.464 1.00 0.00 C ATOM 260 CE1 PHE A 17 2.901 0.711 -10.566 1.00 0.00 C ATOM 261 CE2 PHE A 17 1.778 -1.092 -9.499 1.00 0.00 C ATOM 262 CZ PHE A 17 1.882 -0.211 -10.548 1.00 0.00 C ATOM 0 H PHE A 17 5.579 -2.518 -8.406 1.00 0.00 H new ATOM 0 HA PHE A 17 6.777 0.195 -8.128 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.384 -0.656 -6.489 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.866 0.952 -6.991 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.608 1.481 -9.560 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.608 -1.746 -7.643 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.986 1.405 -11.389 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.978 -1.818 -9.481 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.166 -0.243 -11.356 1.00 0.00 H new ATOM 272 N ILE A 18 7.353 -0.189 -5.569 1.00 0.00 N ATOM 273 CA ILE A 18 7.805 -0.471 -4.192 1.00 0.00 C ATOM 274 C ILE A 18 6.562 -0.410 -3.295 1.00 0.00 C ATOM 275 O ILE A 18 5.997 0.666 -3.091 1.00 0.00 O ATOM 276 CB ILE A 18 8.880 0.571 -3.689 1.00 0.00 C ATOM 277 CG1 ILE A 18 10.098 0.643 -4.670 1.00 0.00 C ATOM 278 CG2 ILE A 18 9.343 0.238 -2.241 1.00 0.00 C ATOM 279 CD1 ILE A 18 11.096 1.754 -4.364 1.00 0.00 C ATOM 0 H ILE A 18 7.410 0.798 -5.820 1.00 0.00 H new ATOM 0 HA ILE A 18 8.284 -1.450 -4.160 1.00 0.00 H new ATOM 0 HB ILE A 18 8.411 1.555 -3.672 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.621 -0.313 -4.649 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.723 0.779 -5.684 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.083 0.970 -1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.485 0.268 -1.569 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.785 -0.758 -2.220 1.00 0.00 H new ATOM 0 HD11 ILE A 18 11.905 1.728 -5.094 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.593 2.719 -4.415 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.505 1.610 -3.364 1.00 0.00 H new ATOM 291 N VAL A 19 6.121 -1.557 -2.779 1.00 0.00 N ATOM 292 CA VAL A 19 4.804 -1.664 -2.138 1.00 0.00 C ATOM 293 C VAL A 19 4.918 -1.315 -0.637 1.00 0.00 C ATOM 294 O VAL A 19 5.969 -1.517 -0.022 1.00 0.00 O ATOM 295 CB VAL A 19 4.199 -3.107 -2.358 1.00 0.00 C ATOM 296 CG1 VAL A 19 2.728 -3.188 -1.913 1.00 0.00 C ATOM 297 CG2 VAL A 19 4.341 -3.558 -3.834 1.00 0.00 C ATOM 0 H VAL A 19 6.654 -2.427 -2.791 1.00 0.00 H new ATOM 0 HA VAL A 19 4.121 -0.950 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 19 4.775 -3.788 -1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.352 -4.197 -2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.655 -2.946 -0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.134 -2.478 -2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.915 -4.554 -3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.812 -2.858 -4.481 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.396 -3.579 -4.108 1.00 0.00 H new ATOM 307 N VAL A 20 3.842 -0.742 -0.074 1.00 0.00 N ATOM 308 CA VAL A 20 3.731 -0.419 1.363 1.00 0.00 C ATOM 309 C VAL A 20 2.412 -0.986 1.899 1.00 0.00 C ATOM 310 O VAL A 20 1.346 -0.741 1.328 1.00 0.00 O ATOM 311 CB VAL A 20 3.814 1.142 1.626 1.00 0.00 C ATOM 312 CG1 VAL A 20 3.421 1.528 3.077 1.00 0.00 C ATOM 313 CG2 VAL A 20 5.226 1.682 1.297 1.00 0.00 C ATOM 0 H VAL A 20 3.012 -0.486 -0.609 1.00 0.00 H new ATOM 0 HA VAL A 20 4.572 -0.873 1.887 1.00 0.00 H new ATOM 0 HB VAL A 20 3.087 1.606 0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.496 2.609 3.199 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.397 1.211 3.273 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.094 1.036 3.779 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.258 2.755 1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.963 1.181 1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.453 1.491 0.248 1.00 0.00 H new ATOM 323 N ASP A 21 2.502 -1.770 2.979 1.00 0.00 N ATOM 324 CA ASP A 21 1.333 -2.316 3.677 1.00 0.00 C ATOM 325 C ASP A 21 0.824 -1.244 4.656 1.00 0.00 C ATOM 326 O ASP A 21 1.448 -1.052 5.691 1.00 0.00 O ATOM 327 CB ASP A 21 1.759 -3.617 4.436 1.00 0.00 C ATOM 328 CG ASP A 21 0.572 -4.460 4.941 1.00 0.00 C ATOM 329 OD1 ASP A 21 -0.025 -4.133 5.984 1.00 0.00 O ATOM 330 OD2 ASP A 21 0.233 -5.464 4.274 1.00 0.00 O ATOM 0 H ASP A 21 3.392 -2.045 3.395 1.00 0.00 H new ATOM 0 HA ASP A 21 0.536 -2.573 2.980 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.371 -4.229 3.773 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.385 -3.343 5.285 1.00 0.00 H new ATOM 335 N VAL A 22 -0.282 -0.534 4.308 1.00 0.00 N ATOM 336 CA VAL A 22 -0.864 0.537 5.166 1.00 0.00 C ATOM 337 C VAL A 22 -2.041 -0.002 5.986 1.00 0.00 C ATOM 338 O VAL A 22 -3.218 0.138 5.610 1.00 0.00 O ATOM 339 CB VAL A 22 -1.288 1.830 4.361 1.00 0.00 C ATOM 340 CG1 VAL A 22 -0.046 2.636 3.933 1.00 0.00 C ATOM 341 CG2 VAL A 22 -2.167 1.471 3.132 1.00 0.00 C ATOM 0 H VAL A 22 -0.791 -0.684 3.437 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.068 0.848 5.843 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.889 2.453 5.024 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.360 3.522 3.380 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.513 2.940 4.818 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.588 2.018 3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.441 2.383 2.601 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.608 0.816 2.464 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.070 0.961 3.467 1.00 0.00 H new ATOM 351 N ARG A 23 -1.719 -0.641 7.120 1.00 0.00 N ATOM 352 CA ARG A 23 -2.734 -1.296 7.972 1.00 0.00 C ATOM 353 C ARG A 23 -2.313 -1.253 9.455 1.00 0.00 C ATOM 354 O ARG A 23 -2.613 -0.278 10.159 1.00 0.00 O ATOM 355 CB ARG A 23 -3.016 -2.764 7.495 1.00 0.00 C ATOM 356 CG ARG A 23 -3.725 -2.898 6.120 1.00 0.00 C ATOM 357 CD ARG A 23 -4.064 -4.346 5.761 1.00 0.00 C ATOM 358 NE ARG A 23 -2.875 -5.194 5.607 1.00 0.00 N ATOM 359 CZ ARG A 23 -2.850 -6.523 5.746 1.00 0.00 C ATOM 360 NH1 ARG A 23 -3.906 -7.194 6.199 1.00 0.00 N ATOM 361 NH2 ARG A 23 -1.736 -7.170 5.503 1.00 0.00 N ATOM 0 H ARG A 23 -0.765 -0.721 7.472 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.667 -0.740 7.875 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.068 -3.300 7.449 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.627 -3.261 8.249 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.641 -2.308 6.131 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.085 -2.478 5.345 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.705 -4.766 6.536 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.636 -4.360 4.833 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.996 -4.731 5.375 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.759 -6.694 6.449 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.862 -8.208 6.296 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.903 -6.659 5.212 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.703 -8.184 5.605 1.00 0.00 H new ATOM 375 N GLU A 24 -1.571 -2.281 9.897 1.00 0.00 N ATOM 376 CA GLU A 24 -1.266 -2.529 11.327 1.00 0.00 C ATOM 377 C GLU A 24 -0.245 -3.688 11.388 1.00 0.00 C ATOM 378 O GLU A 24 -0.136 -4.456 10.426 1.00 0.00 O ATOM 379 CB GLU A 24 -2.595 -2.881 12.115 1.00 0.00 C ATOM 380 CG GLU A 24 -2.668 -2.441 13.603 1.00 0.00 C ATOM 381 CD GLU A 24 -1.729 -3.206 14.552 1.00 0.00 C ATOM 382 OE1 GLU A 24 -1.949 -4.411 14.761 1.00 0.00 O ATOM 383 OE2 GLU A 24 -0.765 -2.615 15.084 1.00 0.00 O ATOM 0 H GLU A 24 -1.159 -2.973 9.271 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.843 -1.642 11.798 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.433 -2.428 11.586 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.738 -3.961 12.073 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.435 -1.378 13.664 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.693 -2.563 13.953 1.00 0.00 H new ATOM 390 N LEU A 25 0.504 -3.792 12.503 1.00 0.00 N ATOM 391 CA LEU A 25 1.484 -4.873 12.738 1.00 0.00 C ATOM 392 C LEU A 25 0.843 -6.268 12.574 1.00 0.00 C ATOM 393 O LEU A 25 1.313 -7.062 11.768 1.00 0.00 O ATOM 394 CB LEU A 25 2.110 -4.721 14.150 1.00 0.00 C ATOM 395 CG LEU A 25 3.127 -5.827 14.594 1.00 0.00 C ATOM 396 CD1 LEU A 25 4.353 -5.905 13.652 1.00 0.00 C ATOM 397 CD2 LEU A 25 3.567 -5.613 16.059 1.00 0.00 C ATOM 0 H LEU A 25 0.446 -3.124 13.272 1.00 0.00 H new ATOM 0 HA LEU A 25 2.270 -4.787 11.988 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.616 -3.756 14.196 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.300 -4.691 14.879 1.00 0.00 H new ATOM 0 HG LEU A 25 2.611 -6.785 14.526 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.030 -6.685 14.000 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.020 -6.137 12.640 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.873 -4.947 13.652 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.273 -6.393 16.345 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.044 -4.638 16.157 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.695 -5.657 16.711 1.00 0.00 H new ATOM 409 N ASP A 26 -0.241 -6.522 13.323 1.00 0.00 N ATOM 410 CA ASP A 26 -0.988 -7.808 13.296 1.00 0.00 C ATOM 411 C ASP A 26 -1.451 -8.179 11.873 1.00 0.00 C ATOM 412 O ASP A 26 -1.321 -9.331 11.453 1.00 0.00 O ATOM 413 CB ASP A 26 -2.201 -7.715 14.259 1.00 0.00 C ATOM 414 CG ASP A 26 -3.197 -8.891 14.162 1.00 0.00 C ATOM 415 OD1 ASP A 26 -2.897 -9.986 14.688 1.00 0.00 O ATOM 416 OD2 ASP A 26 -4.286 -8.723 13.565 1.00 0.00 O ATOM 0 H ASP A 26 -0.634 -5.841 13.973 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.316 -8.600 13.625 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.831 -7.655 15.282 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.736 -6.787 14.058 1.00 0.00 H new ATOM 421 N GLU A 27 -1.981 -7.173 11.165 1.00 0.00 N ATOM 422 CA GLU A 27 -2.452 -7.293 9.768 1.00 0.00 C ATOM 423 C GLU A 27 -1.313 -7.723 8.814 1.00 0.00 C ATOM 424 O GLU A 27 -1.497 -8.578 7.942 1.00 0.00 O ATOM 425 CB GLU A 27 -3.024 -5.928 9.317 1.00 0.00 C ATOM 426 CG GLU A 27 -4.344 -5.511 9.989 1.00 0.00 C ATOM 427 CD GLU A 27 -5.542 -6.367 9.545 1.00 0.00 C ATOM 428 OE1 GLU A 27 -5.762 -6.502 8.318 1.00 0.00 O ATOM 429 OE2 GLU A 27 -6.304 -6.853 10.405 1.00 0.00 O ATOM 0 H GLU A 27 -2.099 -6.235 11.548 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.222 -8.063 9.727 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.278 -5.158 9.512 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.178 -5.956 8.238 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.233 -5.584 11.071 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.547 -4.465 9.760 1.00 0.00 H new ATOM 436 N TYR A 28 -0.155 -7.092 8.999 1.00 0.00 N ATOM 437 CA TYR A 28 1.071 -7.350 8.225 1.00 0.00 C ATOM 438 C TYR A 28 1.617 -8.764 8.493 1.00 0.00 C ATOM 439 O TYR A 28 2.091 -9.441 7.568 1.00 0.00 O ATOM 440 CB TYR A 28 2.097 -6.252 8.602 1.00 0.00 C ATOM 441 CG TYR A 28 3.555 -6.481 8.172 1.00 0.00 C ATOM 442 CD1 TYR A 28 3.984 -6.227 6.868 1.00 0.00 C ATOM 443 CD2 TYR A 28 4.510 -6.918 9.098 1.00 0.00 C ATOM 444 CE1 TYR A 28 5.307 -6.409 6.508 1.00 0.00 C ATOM 445 CE2 TYR A 28 5.822 -7.090 8.738 1.00 0.00 C ATOM 446 CZ TYR A 28 6.219 -6.836 7.448 1.00 0.00 C ATOM 447 OH TYR A 28 7.538 -7.021 7.097 1.00 0.00 O ATOM 0 H TYR A 28 -0.034 -6.368 9.707 1.00 0.00 H new ATOM 0 HA TYR A 28 0.862 -7.311 7.156 1.00 0.00 H new ATOM 0 HB2 TYR A 28 1.760 -5.310 8.168 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.079 -6.129 9.685 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.273 -5.884 6.131 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.208 -7.123 10.114 1.00 0.00 H new ATOM 0 HE1 TYR A 28 5.624 -6.217 5.494 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.543 -7.425 9.469 1.00 0.00 H new ATOM 0 HH TYR A 28 8.045 -7.323 7.879 1.00 0.00 H new ATOM 457 N GLU A 29 1.525 -9.194 9.763 1.00 0.00 N ATOM 458 CA GLU A 29 2.066 -10.482 10.222 1.00 0.00 C ATOM 459 C GLU A 29 1.222 -11.657 9.715 1.00 0.00 C ATOM 460 O GLU A 29 1.779 -12.664 9.282 1.00 0.00 O ATOM 461 CB GLU A 29 2.170 -10.512 11.763 1.00 0.00 C ATOM 462 CG GLU A 29 3.163 -9.488 12.343 1.00 0.00 C ATOM 463 CD GLU A 29 3.172 -9.460 13.878 1.00 0.00 C ATOM 464 OE1 GLU A 29 2.108 -9.200 14.483 1.00 0.00 O ATOM 465 OE2 GLU A 29 4.240 -9.681 14.488 1.00 0.00 O ATOM 0 H GLU A 29 1.072 -8.655 10.501 1.00 0.00 H new ATOM 0 HA GLU A 29 3.067 -10.588 9.805 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.183 -10.327 12.187 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.470 -11.512 12.077 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.166 -9.720 11.984 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.912 -8.495 11.969 1.00 0.00 H new ATOM 472 N GLU A 30 -0.117 -11.521 9.767 1.00 0.00 N ATOM 473 CA GLU A 30 -1.038 -12.592 9.324 1.00 0.00 C ATOM 474 C GLU A 30 -0.904 -12.839 7.801 1.00 0.00 C ATOM 475 O GLU A 30 -0.968 -13.991 7.349 1.00 0.00 O ATOM 476 CB GLU A 30 -2.514 -12.285 9.713 1.00 0.00 C ATOM 477 CG GLU A 30 -3.065 -10.954 9.191 1.00 0.00 C ATOM 478 CD GLU A 30 -4.589 -10.824 9.312 1.00 0.00 C ATOM 479 OE1 GLU A 30 -5.308 -11.389 8.451 1.00 0.00 O ATOM 480 OE2 GLU A 30 -5.078 -10.190 10.271 1.00 0.00 O ATOM 0 H GLU A 30 -0.587 -10.683 10.110 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.751 -13.505 9.845 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.146 -13.092 9.341 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.595 -12.292 10.800 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.595 -10.137 9.739 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.782 -10.840 8.145 1.00 0.00 H new ATOM 487 N LEU A 31 -0.698 -11.750 7.029 1.00 0.00 N ATOM 488 CA LEU A 31 -0.408 -11.823 5.582 1.00 0.00 C ATOM 489 C LEU A 31 0.111 -10.476 5.065 1.00 0.00 C ATOM 490 O LEU A 31 -0.257 -9.430 5.589 1.00 0.00 O ATOM 491 CB LEU A 31 -1.648 -12.277 4.739 1.00 0.00 C ATOM 492 CG LEU A 31 -2.775 -11.230 4.402 1.00 0.00 C ATOM 493 CD1 LEU A 31 -3.833 -11.844 3.472 1.00 0.00 C ATOM 494 CD2 LEU A 31 -3.444 -10.635 5.654 1.00 0.00 C ATOM 0 H LEU A 31 -0.728 -10.797 7.392 1.00 0.00 H new ATOM 0 HA LEU A 31 0.364 -12.582 5.458 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.275 -12.672 3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.118 -13.106 5.268 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.280 -10.406 3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.601 -11.101 3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.360 -12.161 2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.290 -12.706 3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.211 -9.921 5.352 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.901 -11.434 6.237 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.694 -10.127 6.261 1.00 0.00 H new ATOM 506 N HIS A 32 0.972 -10.518 4.038 1.00 0.00 N ATOM 507 CA HIS A 32 1.443 -9.311 3.329 1.00 0.00 C ATOM 508 C HIS A 32 2.153 -9.727 2.035 1.00 0.00 C ATOM 509 O HIS A 32 2.430 -10.909 1.825 1.00 0.00 O ATOM 510 CB HIS A 32 2.397 -8.461 4.226 1.00 0.00 C ATOM 511 CG HIS A 32 3.751 -9.086 4.458 1.00 0.00 C ATOM 512 ND1 HIS A 32 3.935 -10.256 5.155 1.00 0.00 N ATOM 513 CD2 HIS A 32 4.984 -8.709 4.044 1.00 0.00 C ATOM 514 CE1 HIS A 32 5.210 -10.572 5.127 1.00 0.00 C ATOM 515 NE2 HIS A 32 5.864 -9.651 4.472 1.00 0.00 N ATOM 0 H HIS A 32 1.363 -11.386 3.673 1.00 0.00 H new ATOM 0 HA HIS A 32 0.580 -8.690 3.088 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.535 -7.483 3.765 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.917 -8.294 5.190 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.224 -7.822 3.477 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.647 -11.453 5.574 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.871 -9.641 4.309 1.00 0.00 H new ATOM 524 N LEU A 33 2.443 -8.747 1.180 1.00 0.00 N ATOM 525 CA LEU A 33 3.252 -8.954 -0.036 1.00 0.00 C ATOM 526 C LEU A 33 4.749 -8.947 0.319 1.00 0.00 C ATOM 527 O LEU A 33 5.158 -8.163 1.169 1.00 0.00 O ATOM 528 CB LEU A 33 2.941 -7.828 -1.042 1.00 0.00 C ATOM 529 CG LEU A 33 1.516 -7.883 -1.663 1.00 0.00 C ATOM 530 CD1 LEU A 33 1.082 -6.503 -2.175 1.00 0.00 C ATOM 531 CD2 LEU A 33 1.427 -8.954 -2.788 1.00 0.00 C ATOM 0 H LEU A 33 2.127 -7.785 1.304 1.00 0.00 H new ATOM 0 HA LEU A 33 3.006 -9.919 -0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.067 -6.868 -0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.675 -7.867 -1.847 1.00 0.00 H new ATOM 0 HG LEU A 33 0.825 -8.179 -0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.082 -6.572 -2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.074 -5.794 -1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.781 -6.162 -2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.418 -8.966 -3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.139 -8.712 -3.578 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.662 -9.935 -2.376 1.00 0.00 H new ATOM 543 N PRO A 34 5.602 -9.766 -0.372 1.00 0.00 N ATOM 544 CA PRO A 34 7.056 -9.863 -0.054 1.00 0.00 C ATOM 545 C PRO A 34 7.860 -8.585 -0.439 1.00 0.00 C ATOM 546 O PRO A 34 9.081 -8.545 -0.267 1.00 0.00 O ATOM 547 CB PRO A 34 7.499 -11.101 -0.876 1.00 0.00 C ATOM 548 CG PRO A 34 6.568 -11.117 -2.049 1.00 0.00 C ATOM 549 CD PRO A 34 5.231 -10.650 -1.518 1.00 0.00 C ATOM 0 HA PRO A 34 7.243 -9.957 1.016 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.538 -11.017 -1.194 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.418 -12.017 -0.291 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.926 -10.460 -2.841 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.492 -12.118 -2.475 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.665 -10.109 -2.276 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.612 -11.487 -1.195 1.00 0.00 H new ATOM 557 N ASN A 35 7.159 -7.560 -0.974 1.00 0.00 N ATOM 558 CA ASN A 35 7.741 -6.241 -1.325 1.00 0.00 C ATOM 559 C ASN A 35 6.991 -5.103 -0.594 1.00 0.00 C ATOM 560 O ASN A 35 7.156 -3.926 -0.947 1.00 0.00 O ATOM 561 CB ASN A 35 7.679 -6.028 -2.870 1.00 0.00 C ATOM 562 CG ASN A 35 8.448 -7.099 -3.653 1.00 0.00 C ATOM 563 OD1 ASN A 35 9.639 -6.952 -3.933 1.00 0.00 O ATOM 564 ND2 ASN A 35 7.772 -8.187 -4.008 1.00 0.00 N ATOM 0 H ASN A 35 6.162 -7.624 -1.177 1.00 0.00 H new ATOM 0 HA ASN A 35 8.783 -6.222 -1.006 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.637 -6.030 -3.190 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.085 -5.046 -3.113 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.239 -8.930 -4.528 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.787 -8.278 -3.761 1.00 0.00 H new ATOM 571 N ALA A 36 6.177 -5.461 0.435 1.00 0.00 N ATOM 572 CA ALA A 36 5.350 -4.497 1.201 1.00 0.00 C ATOM 573 C ALA A 36 6.048 -4.077 2.509 1.00 0.00 C ATOM 574 O ALA A 36 6.387 -4.930 3.336 1.00 0.00 O ATOM 575 CB ALA A 36 3.959 -5.089 1.498 1.00 0.00 C ATOM 0 H ALA A 36 6.078 -6.425 0.754 1.00 0.00 H new ATOM 0 HA ALA A 36 5.224 -3.606 0.586 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.368 -4.366 2.061 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.454 -5.319 0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.069 -6.002 2.084 1.00 0.00 H new ATOM 581 N THR A 37 6.269 -2.759 2.671 1.00 0.00 N ATOM 582 CA THR A 37 6.858 -2.162 3.884 1.00 0.00 C ATOM 583 C THR A 37 5.745 -1.843 4.898 1.00 0.00 C ATOM 584 O THR A 37 4.791 -1.138 4.554 1.00 0.00 O ATOM 585 CB THR A 37 7.637 -0.853 3.513 1.00 0.00 C ATOM 586 OG1 THR A 37 8.672 -1.172 2.567 1.00 0.00 O ATOM 587 CG2 THR A 37 8.258 -0.150 4.745 1.00 0.00 C ATOM 0 H THR A 37 6.041 -2.070 1.954 1.00 0.00 H new ATOM 0 HA THR A 37 7.555 -2.872 4.330 1.00 0.00 H new ATOM 0 HB THR A 37 6.917 -0.158 3.081 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.161 -0.357 2.330 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.784 0.749 4.424 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.468 0.122 5.445 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.960 -0.826 5.234 1.00 0.00 H new ATOM 595 N LEU A 38 5.857 -2.371 6.137 1.00 0.00 N ATOM 596 CA LEU A 38 4.865 -2.116 7.193 1.00 0.00 C ATOM 597 C LEU A 38 4.915 -0.652 7.651 1.00 0.00 C ATOM 598 O LEU A 38 5.914 -0.198 8.218 1.00 0.00 O ATOM 599 CB LEU A 38 5.064 -3.035 8.424 1.00 0.00 C ATOM 600 CG LEU A 38 4.164 -2.706 9.673 1.00 0.00 C ATOM 601 CD1 LEU A 38 2.652 -2.689 9.321 1.00 0.00 C ATOM 602 CD2 LEU A 38 4.450 -3.673 10.836 1.00 0.00 C ATOM 0 H LEU A 38 6.626 -2.976 6.426 1.00 0.00 H new ATOM 0 HA LEU A 38 3.891 -2.334 6.755 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.871 -4.064 8.121 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.109 -2.983 8.728 1.00 0.00 H new ATOM 0 HG LEU A 38 4.428 -1.699 9.996 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.073 -2.458 10.215 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.464 -1.931 8.561 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.356 -3.666 8.940 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.813 -3.421 11.684 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.243 -4.695 10.519 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.496 -3.589 11.130 1.00 0.00 H new ATOM 614 N ILE A 39 3.829 0.060 7.358 1.00 0.00 N ATOM 615 CA ILE A 39 3.521 1.386 7.897 1.00 0.00 C ATOM 616 C ILE A 39 2.010 1.394 8.169 1.00 0.00 C ATOM 617 O ILE A 39 1.244 0.812 7.413 1.00 0.00 O ATOM 618 CB ILE A 39 3.916 2.539 6.887 1.00 0.00 C ATOM 619 CG1 ILE A 39 5.461 2.538 6.609 1.00 0.00 C ATOM 620 CG2 ILE A 39 3.452 3.928 7.394 1.00 0.00 C ATOM 621 CD1 ILE A 39 5.939 3.461 5.498 1.00 0.00 C ATOM 0 H ILE A 39 3.113 -0.281 6.716 1.00 0.00 H new ATOM 0 HA ILE A 39 4.095 1.574 8.804 1.00 0.00 H new ATOM 0 HB ILE A 39 3.398 2.340 5.949 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.976 2.813 7.530 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.766 1.520 6.365 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.741 4.693 6.674 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.368 3.930 7.510 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.920 4.139 8.356 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.021 3.377 5.396 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.463 3.178 4.559 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.676 4.490 5.742 1.00 0.00 H new ATOM 633 N SER A 40 1.568 2.012 9.249 1.00 0.00 N ATOM 634 CA SER A 40 0.125 2.092 9.536 1.00 0.00 C ATOM 635 C SER A 40 -0.462 3.339 8.848 1.00 0.00 C ATOM 636 O SER A 40 0.258 4.308 8.574 1.00 0.00 O ATOM 637 CB SER A 40 -0.129 2.111 11.052 1.00 0.00 C ATOM 638 OG SER A 40 0.505 1.013 11.693 1.00 0.00 O ATOM 0 H SER A 40 2.167 2.463 9.940 1.00 0.00 H new ATOM 0 HA SER A 40 -0.374 1.208 9.139 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.242 3.045 11.474 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.201 2.078 11.244 1.00 0.00 H new ATOM 0 HG SER A 40 1.424 1.258 11.928 1.00 0.00 H new ATOM 644 N VAL A 41 -1.767 3.293 8.541 1.00 0.00 N ATOM 645 CA VAL A 41 -2.520 4.451 8.007 1.00 0.00 C ATOM 646 C VAL A 41 -2.492 5.670 8.981 1.00 0.00 C ATOM 647 O VAL A 41 -2.675 6.811 8.554 1.00 0.00 O ATOM 648 CB VAL A 41 -3.997 4.021 7.662 1.00 0.00 C ATOM 649 CG1 VAL A 41 -4.749 3.502 8.910 1.00 0.00 C ATOM 650 CG2 VAL A 41 -4.776 5.156 6.950 1.00 0.00 C ATOM 0 H VAL A 41 -2.336 2.454 8.654 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.029 4.778 7.091 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.933 3.190 6.959 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.763 3.216 8.631 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.226 2.636 9.316 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.789 4.288 9.664 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.789 4.819 6.730 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.817 6.031 7.598 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.270 5.417 6.020 1.00 0.00 H new ATOM 660 N ASN A 42 -2.239 5.411 10.285 1.00 0.00 N ATOM 661 CA ASN A 42 -2.081 6.474 11.309 1.00 0.00 C ATOM 662 C ASN A 42 -0.617 6.960 11.417 1.00 0.00 C ATOM 663 O ASN A 42 -0.359 8.040 11.975 1.00 0.00 O ATOM 664 CB ASN A 42 -2.577 5.981 12.696 1.00 0.00 C ATOM 665 CG ASN A 42 -1.796 4.774 13.238 1.00 0.00 C ATOM 666 OD1 ASN A 42 -0.762 4.920 13.884 1.00 0.00 O ATOM 667 ND2 ASN A 42 -2.293 3.574 12.988 1.00 0.00 N ATOM 0 H ASN A 42 -2.139 4.466 10.657 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.692 7.318 10.989 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.503 6.801 13.411 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.632 5.716 12.622 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.816 2.742 13.335 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.154 3.481 12.449 1.00 0.00 H new ATOM 674 N ASP A 43 0.335 6.151 10.905 1.00 0.00 N ATOM 675 CA ASP A 43 1.776 6.481 10.929 1.00 0.00 C ATOM 676 C ASP A 43 2.104 7.478 9.808 1.00 0.00 C ATOM 677 O ASP A 43 2.617 7.101 8.756 1.00 0.00 O ATOM 678 CB ASP A 43 2.668 5.201 10.803 1.00 0.00 C ATOM 679 CG ASP A 43 2.593 4.222 11.985 1.00 0.00 C ATOM 680 OD1 ASP A 43 2.228 4.632 13.107 1.00 0.00 O ATOM 681 OD2 ASP A 43 2.951 3.034 11.807 1.00 0.00 O ATOM 0 H ASP A 43 0.127 5.254 10.465 1.00 0.00 H new ATOM 0 HA ASP A 43 1.999 6.938 11.893 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.383 4.669 9.895 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.705 5.513 10.678 1.00 0.00 H new ATOM 686 N GLN A 44 1.752 8.755 10.031 1.00 0.00 N ATOM 687 CA GLN A 44 2.005 9.842 9.062 1.00 0.00 C ATOM 688 C GLN A 44 3.477 10.262 9.076 1.00 0.00 C ATOM 689 O GLN A 44 4.031 10.588 8.033 1.00 0.00 O ATOM 690 CB GLN A 44 1.045 11.054 9.324 1.00 0.00 C ATOM 691 CG GLN A 44 -0.269 11.029 8.513 1.00 0.00 C ATOM 692 CD GLN A 44 -1.013 9.690 8.596 1.00 0.00 C ATOM 693 OE1 GLN A 44 -1.842 9.476 9.478 1.00 0.00 O ATOM 694 NE2 GLN A 44 -0.734 8.781 7.662 1.00 0.00 N ATOM 0 H GLN A 44 1.286 9.065 10.883 1.00 0.00 H new ATOM 0 HA GLN A 44 1.791 9.467 8.061 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.799 11.081 10.386 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.578 11.977 9.096 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.924 11.823 8.873 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.047 11.248 7.469 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.041 8.986 6.942 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.213 7.881 7.667 1.00 0.00 H new ATOM 703 N GLU A 45 4.101 10.228 10.261 1.00 0.00 N ATOM 704 CA GLU A 45 5.528 10.586 10.433 1.00 0.00 C ATOM 705 C GLU A 45 6.456 9.521 9.809 1.00 0.00 C ATOM 706 O GLU A 45 7.496 9.855 9.243 1.00 0.00 O ATOM 707 CB GLU A 45 5.861 10.860 11.944 1.00 0.00 C ATOM 708 CG GLU A 45 5.116 9.977 12.976 1.00 0.00 C ATOM 709 CD GLU A 45 5.476 8.485 12.926 1.00 0.00 C ATOM 710 OE1 GLU A 45 6.619 8.125 13.286 1.00 0.00 O ATOM 711 OE2 GLU A 45 4.626 7.672 12.498 1.00 0.00 O ATOM 0 H GLU A 45 3.639 9.954 11.128 1.00 0.00 H new ATOM 0 HA GLU A 45 5.713 11.514 9.892 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.933 10.727 12.089 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.637 11.905 12.161 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.328 10.354 13.976 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.043 10.083 12.816 1.00 0.00 H new ATOM 718 N LYS A 46 6.051 8.241 9.899 1.00 0.00 N ATOM 719 CA LYS A 46 6.819 7.102 9.358 1.00 0.00 C ATOM 720 C LYS A 46 6.606 6.984 7.838 1.00 0.00 C ATOM 721 O LYS A 46 7.543 6.674 7.090 1.00 0.00 O ATOM 722 CB LYS A 46 6.403 5.790 10.080 1.00 0.00 C ATOM 723 CG LYS A 46 7.111 4.476 9.631 1.00 0.00 C ATOM 724 CD LYS A 46 8.643 4.410 9.936 1.00 0.00 C ATOM 725 CE LYS A 46 9.533 4.971 8.807 1.00 0.00 C ATOM 726 NZ LYS A 46 10.980 4.846 9.116 1.00 0.00 N ATOM 0 H LYS A 46 5.179 7.965 10.350 1.00 0.00 H new ATOM 0 HA LYS A 46 7.880 7.273 9.537 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.579 5.921 11.148 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.329 5.657 9.948 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.622 3.633 10.120 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.964 4.351 8.558 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.845 4.964 10.853 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.921 3.373 10.123 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.315 4.443 7.879 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.288 6.020 8.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.499 5.630 8.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.119 4.878 10.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.337 3.942 8.746 1.00 0.00 H new ATOM 740 N LEU A 47 5.375 7.256 7.388 1.00 0.00 N ATOM 741 CA LEU A 47 5.021 7.170 5.957 1.00 0.00 C ATOM 742 C LEU A 47 5.722 8.285 5.177 1.00 0.00 C ATOM 743 O LEU A 47 6.370 8.033 4.161 1.00 0.00 O ATOM 744 CB LEU A 47 3.491 7.242 5.780 1.00 0.00 C ATOM 745 CG LEU A 47 2.915 6.958 4.354 1.00 0.00 C ATOM 746 CD1 LEU A 47 3.440 5.630 3.745 1.00 0.00 C ATOM 747 CD2 LEU A 47 1.374 6.954 4.411 1.00 0.00 C ATOM 0 H LEU A 47 4.603 7.538 7.992 1.00 0.00 H new ATOM 0 HA LEU A 47 5.359 6.213 5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.038 6.533 6.473 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.164 8.237 6.083 1.00 0.00 H new ATOM 0 HG LEU A 47 3.261 7.756 3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.006 5.487 2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.526 5.672 3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.157 4.797 4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.974 6.756 3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.037 6.178 5.099 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.020 7.925 4.758 1.00 0.00 H new ATOM 759 N ALA A 48 5.615 9.510 5.713 1.00 0.00 N ATOM 760 CA ALA A 48 6.252 10.702 5.146 1.00 0.00 C ATOM 761 C ALA A 48 7.784 10.589 5.190 1.00 0.00 C ATOM 762 O ALA A 48 8.453 11.089 4.295 1.00 0.00 O ATOM 763 CB ALA A 48 5.773 11.954 5.881 1.00 0.00 C ATOM 0 H ALA A 48 5.079 9.700 6.560 1.00 0.00 H new ATOM 0 HA ALA A 48 5.961 10.781 4.099 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.252 12.834 5.452 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.692 12.044 5.779 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.033 11.878 6.937 1.00 0.00 H new ATOM 769 N ASP A 49 8.318 9.920 6.235 1.00 0.00 N ATOM 770 CA ASP A 49 9.767 9.626 6.354 1.00 0.00 C ATOM 771 C ASP A 49 10.239 8.751 5.175 1.00 0.00 C ATOM 772 O ASP A 49 11.229 9.072 4.517 1.00 0.00 O ATOM 773 CB ASP A 49 10.072 8.914 7.701 1.00 0.00 C ATOM 774 CG ASP A 49 11.543 8.485 7.850 1.00 0.00 C ATOM 775 OD1 ASP A 49 12.388 9.346 8.169 1.00 0.00 O ATOM 776 OD2 ASP A 49 11.865 7.294 7.618 1.00 0.00 O ATOM 0 H ASP A 49 7.763 9.570 7.016 1.00 0.00 H new ATOM 0 HA ASP A 49 10.309 10.571 6.329 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.811 9.581 8.523 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.435 8.034 7.790 1.00 0.00 H new ATOM 781 N PHE A 50 9.491 7.659 4.920 1.00 0.00 N ATOM 782 CA PHE A 50 9.774 6.693 3.828 1.00 0.00 C ATOM 783 C PHE A 50 9.749 7.392 2.448 1.00 0.00 C ATOM 784 O PHE A 50 10.542 7.073 1.548 1.00 0.00 O ATOM 785 CB PHE A 50 8.732 5.538 3.879 1.00 0.00 C ATOM 786 CG PHE A 50 8.967 4.397 2.875 1.00 0.00 C ATOM 787 CD1 PHE A 50 9.893 3.387 3.149 1.00 0.00 C ATOM 788 CD2 PHE A 50 8.258 4.325 1.672 1.00 0.00 C ATOM 789 CE1 PHE A 50 10.105 2.352 2.253 1.00 0.00 C ATOM 790 CE2 PHE A 50 8.476 3.291 0.781 1.00 0.00 C ATOM 791 CZ PHE A 50 9.395 2.303 1.070 1.00 0.00 C ATOM 0 H PHE A 50 8.666 7.417 5.468 1.00 0.00 H new ATOM 0 HA PHE A 50 10.774 6.282 3.969 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.727 5.119 4.885 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.741 5.957 3.703 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.452 3.414 4.073 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.530 5.087 1.436 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.827 1.582 2.480 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.924 3.256 -0.147 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.558 1.494 0.373 1.00 0.00 H new ATOM 801 N LEU A 51 8.825 8.353 2.306 1.00 0.00 N ATOM 802 CA LEU A 51 8.653 9.135 1.072 1.00 0.00 C ATOM 803 C LEU A 51 9.692 10.273 0.978 1.00 0.00 C ATOM 804 O LEU A 51 9.994 10.739 -0.113 1.00 0.00 O ATOM 805 CB LEU A 51 7.215 9.704 1.000 1.00 0.00 C ATOM 806 CG LEU A 51 6.050 8.667 1.096 1.00 0.00 C ATOM 807 CD1 LEU A 51 4.690 9.376 1.122 1.00 0.00 C ATOM 808 CD2 LEU A 51 6.093 7.616 -0.033 1.00 0.00 C ATOM 0 H LEU A 51 8.173 8.611 3.047 1.00 0.00 H new ATOM 0 HA LEU A 51 8.814 8.470 0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.094 10.429 1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.110 10.249 0.062 1.00 0.00 H new ATOM 0 HG LEU A 51 6.187 8.129 2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.894 8.634 1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.642 10.039 1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.566 9.959 0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.261 6.922 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.016 8.116 -0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.033 7.067 0.017 1.00 0.00 H new ATOM 820 N SER A 52 10.210 10.724 2.134 1.00 0.00 N ATOM 821 CA SER A 52 11.222 11.800 2.208 1.00 0.00 C ATOM 822 C SER A 52 12.646 11.261 1.938 1.00 0.00 C ATOM 823 O SER A 52 13.546 12.044 1.612 1.00 0.00 O ATOM 824 CB SER A 52 11.155 12.515 3.577 1.00 0.00 C ATOM 825 OG SER A 52 12.035 13.627 3.640 1.00 0.00 O ATOM 0 H SER A 52 9.940 10.354 3.046 1.00 0.00 H new ATOM 0 HA SER A 52 10.994 12.525 1.427 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.134 12.850 3.762 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.407 11.808 4.368 1.00 0.00 H new ATOM 0 HG SER A 52 11.962 14.053 4.520 1.00 0.00 H new ATOM 831 N GLN A 53 12.843 9.924 2.087 1.00 0.00 N ATOM 832 CA GLN A 53 14.137 9.253 1.779 1.00 0.00 C ATOM 833 C GLN A 53 14.513 9.462 0.290 1.00 0.00 C ATOM 834 O GLN A 53 15.682 9.649 -0.061 1.00 0.00 O ATOM 835 CB GLN A 53 14.062 7.731 2.107 1.00 0.00 C ATOM 836 CG GLN A 53 13.735 7.387 3.579 1.00 0.00 C ATOM 837 CD GLN A 53 14.694 8.007 4.609 1.00 0.00 C ATOM 838 OE1 GLN A 53 15.878 8.221 4.340 1.00 0.00 O ATOM 839 NE2 GLN A 53 14.195 8.290 5.802 1.00 0.00 N ATOM 0 H GLN A 53 12.120 9.287 2.420 1.00 0.00 H new ATOM 0 HA GLN A 53 14.910 9.702 2.403 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.306 7.275 1.468 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.016 7.273 1.848 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.721 7.720 3.800 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.747 6.303 3.697 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.212 8.104 6.001 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.793 8.694 6.522 1.00 0.00 H new ATOM 848 N HIS A 54 13.468 9.433 -0.539 1.00 0.00 N ATOM 849 CA HIS A 54 13.489 9.713 -1.976 1.00 0.00 C ATOM 850 C HIS A 54 12.039 9.969 -2.349 1.00 0.00 C ATOM 851 O HIS A 54 11.217 9.090 -2.151 1.00 0.00 O ATOM 852 CB HIS A 54 14.066 8.534 -2.842 1.00 0.00 C ATOM 853 CG HIS A 54 15.555 8.608 -3.078 1.00 0.00 C ATOM 854 ND1 HIS A 54 16.481 7.857 -2.380 1.00 0.00 N ATOM 855 CD2 HIS A 54 16.271 9.337 -3.970 1.00 0.00 C ATOM 856 CE1 HIS A 54 17.690 8.137 -2.821 1.00 0.00 C ATOM 857 NE2 HIS A 54 17.589 9.029 -3.786 1.00 0.00 N ATOM 0 H HIS A 54 12.532 9.200 -0.207 1.00 0.00 H new ATOM 0 HA HIS A 54 14.147 10.558 -2.179 1.00 0.00 H new ATOM 0 HB2 HIS A 54 13.834 7.590 -2.349 1.00 0.00 H new ATOM 0 HB3 HIS A 54 13.557 8.524 -3.806 1.00 0.00 H new ATOM 0 HD2 HIS A 54 15.872 10.033 -4.693 1.00 0.00 H new ATOM 0 HE1 HIS A 54 18.610 7.708 -2.453 1.00 0.00 H new ATOM 0 HE2 HIS A 54 18.369 9.425 -4.311 1.00 0.00 H new ATOM 866 N LYS A 55 11.716 11.195 -2.773 1.00 0.00 N ATOM 867 CA LYS A 55 10.367 11.535 -3.288 1.00 0.00 C ATOM 868 C LYS A 55 10.201 11.004 -4.715 1.00 0.00 C ATOM 869 O LYS A 55 9.104 10.586 -5.109 1.00 0.00 O ATOM 870 CB LYS A 55 10.119 13.066 -3.241 1.00 0.00 C ATOM 871 CG LYS A 55 10.122 13.656 -1.815 1.00 0.00 C ATOM 872 CD LYS A 55 9.845 15.178 -1.790 1.00 0.00 C ATOM 873 CE LYS A 55 8.466 15.551 -2.362 1.00 0.00 C ATOM 874 NZ LYS A 55 8.212 17.014 -2.295 1.00 0.00 N ATOM 0 H LYS A 55 12.368 11.979 -2.773 1.00 0.00 H new ATOM 0 HA LYS A 55 9.625 11.060 -2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.885 13.567 -3.832 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.160 13.284 -3.712 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.369 13.145 -1.215 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.088 13.460 -1.349 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.915 15.537 -0.763 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.619 15.691 -2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.402 15.219 -3.398 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.689 15.023 -1.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.191 17.193 -2.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.555 17.385 -1.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.712 17.489 -3.074 1.00 0.00 H new ATOM 888 N ASP A 56 11.308 11.025 -5.481 1.00 0.00 N ATOM 889 CA ASP A 56 11.367 10.466 -6.841 1.00 0.00 C ATOM 890 C ASP A 56 11.497 8.936 -6.779 1.00 0.00 C ATOM 891 O ASP A 56 12.606 8.383 -6.824 1.00 0.00 O ATOM 892 CB ASP A 56 12.536 11.102 -7.652 1.00 0.00 C ATOM 893 CG ASP A 56 12.221 12.515 -8.169 1.00 0.00 C ATOM 894 OD1 ASP A 56 12.038 13.437 -7.345 1.00 0.00 O ATOM 895 OD2 ASP A 56 12.150 12.716 -9.406 1.00 0.00 O ATOM 0 H ASP A 56 12.190 11.433 -5.170 1.00 0.00 H new ATOM 0 HA ASP A 56 10.439 10.708 -7.359 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.425 11.143 -7.023 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.774 10.458 -8.498 1.00 0.00 H new ATOM 900 N LYS A 57 10.347 8.280 -6.591 1.00 0.00 N ATOM 901 CA LYS A 57 10.208 6.819 -6.692 1.00 0.00 C ATOM 902 C LYS A 57 8.721 6.473 -6.915 1.00 0.00 C ATOM 903 O LYS A 57 7.839 7.330 -6.738 1.00 0.00 O ATOM 904 CB LYS A 57 10.799 6.088 -5.439 1.00 0.00 C ATOM 905 CG LYS A 57 9.896 5.971 -4.188 1.00 0.00 C ATOM 906 CD LYS A 57 9.369 7.318 -3.671 1.00 0.00 C ATOM 907 CE LYS A 57 8.737 7.211 -2.280 1.00 0.00 C ATOM 908 NZ LYS A 57 9.714 6.745 -1.251 1.00 0.00 N ATOM 0 H LYS A 57 9.473 8.753 -6.361 1.00 0.00 H new ATOM 0 HA LYS A 57 10.787 6.463 -7.544 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.086 5.081 -5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.712 6.606 -5.147 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.049 5.327 -4.423 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.457 5.482 -3.392 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.189 8.036 -3.639 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.631 7.708 -4.372 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.340 8.183 -1.988 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.894 6.520 -2.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.252 6.720 -0.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.049 5.792 -1.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.522 7.398 -1.219 1.00 0.00 H new ATOM 922 N LYS A 58 8.446 5.221 -7.278 1.00 0.00 N ATOM 923 CA LYS A 58 7.077 4.743 -7.517 1.00 0.00 C ATOM 924 C LYS A 58 6.662 3.788 -6.387 1.00 0.00 C ATOM 925 O LYS A 58 7.074 2.629 -6.373 1.00 0.00 O ATOM 926 CB LYS A 58 7.002 4.057 -8.896 1.00 0.00 C ATOM 927 CG LYS A 58 5.567 3.891 -9.425 1.00 0.00 C ATOM 928 CD LYS A 58 5.528 3.625 -10.940 1.00 0.00 C ATOM 929 CE LYS A 58 6.350 2.392 -11.362 1.00 0.00 C ATOM 930 NZ LYS A 58 6.218 2.107 -12.811 1.00 0.00 N ATOM 0 H LYS A 58 9.162 4.507 -7.416 1.00 0.00 H new ATOM 0 HA LYS A 58 6.382 5.583 -7.521 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.580 4.639 -9.614 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.472 3.076 -8.830 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.083 3.067 -8.901 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.994 4.791 -9.202 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.493 3.487 -11.251 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.905 4.502 -11.466 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.400 2.555 -11.119 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.022 1.524 -10.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.151 1.871 -13.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.571 1.305 -12.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.840 2.945 -13.297 1.00 0.00 H new ATOM 944 N VAL A 59 5.891 4.305 -5.414 1.00 0.00 N ATOM 945 CA VAL A 59 5.424 3.521 -4.249 1.00 0.00 C ATOM 946 C VAL A 59 3.900 3.350 -4.279 1.00 0.00 C ATOM 947 O VAL A 59 3.163 4.291 -4.596 1.00 0.00 O ATOM 948 CB VAL A 59 5.908 4.168 -2.887 1.00 0.00 C ATOM 949 CG1 VAL A 59 5.114 3.669 -1.656 1.00 0.00 C ATOM 950 CG2 VAL A 59 7.409 3.893 -2.672 1.00 0.00 C ATOM 0 H VAL A 59 5.573 5.274 -5.410 1.00 0.00 H new ATOM 0 HA VAL A 59 5.871 2.529 -4.313 1.00 0.00 H new ATOM 0 HB VAL A 59 5.725 5.239 -2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.496 4.151 -0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.059 3.915 -1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.226 2.589 -1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.730 4.343 -1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.580 2.817 -2.637 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.979 4.324 -3.495 1.00 0.00 H new ATOM 960 N LEU A 60 3.456 2.129 -3.925 1.00 0.00 N ATOM 961 CA LEU A 60 2.047 1.732 -3.945 1.00 0.00 C ATOM 962 C LEU A 60 1.569 1.336 -2.531 1.00 0.00 C ATOM 963 O LEU A 60 1.949 0.280 -2.017 1.00 0.00 O ATOM 964 CB LEU A 60 1.869 0.535 -4.906 1.00 0.00 C ATOM 965 CG LEU A 60 0.404 0.067 -5.125 1.00 0.00 C ATOM 966 CD1 LEU A 60 -0.393 1.115 -5.918 1.00 0.00 C ATOM 967 CD2 LEU A 60 0.355 -1.307 -5.809 1.00 0.00 C ATOM 0 H LEU A 60 4.080 1.385 -3.614 1.00 0.00 H new ATOM 0 HA LEU A 60 1.449 2.577 -4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.296 0.801 -5.873 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.447 -0.306 -4.523 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.064 -0.038 -4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.416 0.765 -6.059 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.404 2.056 -5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.075 1.269 -6.890 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.684 -1.607 -5.948 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.849 -1.249 -6.779 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.865 -2.042 -5.186 1.00 0.00 H new ATOM 979 N LEU A 61 0.726 2.179 -1.923 1.00 0.00 N ATOM 980 CA LEU A 61 0.138 1.929 -0.592 1.00 0.00 C ATOM 981 C LEU A 61 -1.054 0.959 -0.738 1.00 0.00 C ATOM 982 O LEU A 61 -2.146 1.385 -1.089 1.00 0.00 O ATOM 983 CB LEU A 61 -0.331 3.282 0.049 1.00 0.00 C ATOM 984 CG LEU A 61 0.771 4.246 0.620 1.00 0.00 C ATOM 985 CD1 LEU A 61 1.850 4.608 -0.416 1.00 0.00 C ATOM 986 CD2 LEU A 61 0.125 5.532 1.183 1.00 0.00 C ATOM 0 H LEU A 61 0.428 3.061 -2.340 1.00 0.00 H new ATOM 0 HA LEU A 61 0.886 1.480 0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.897 3.830 -0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.022 3.047 0.859 1.00 0.00 H new ATOM 0 HG LEU A 61 1.270 3.704 1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.582 5.276 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.349 3.700 -0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.385 5.105 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.902 6.188 1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.417 6.045 0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.567 5.271 1.984 1.00 0.00 H new ATOM 998 N HIS A 62 -0.842 -0.343 -0.493 1.00 0.00 N ATOM 999 CA HIS A 62 -1.911 -1.357 -0.643 1.00 0.00 C ATOM 1000 C HIS A 62 -2.666 -1.534 0.688 1.00 0.00 C ATOM 1001 O HIS A 62 -2.050 -1.533 1.767 1.00 0.00 O ATOM 1002 CB HIS A 62 -1.336 -2.718 -1.162 1.00 0.00 C ATOM 1003 CG HIS A 62 -0.840 -3.677 -0.100 1.00 0.00 C ATOM 1004 ND1 HIS A 62 -1.626 -4.679 0.423 1.00 0.00 N ATOM 1005 CD2 HIS A 62 0.348 -3.781 0.534 1.00 0.00 C ATOM 1006 CE1 HIS A 62 -0.941 -5.352 1.319 1.00 0.00 C ATOM 1007 NE2 HIS A 62 0.261 -4.830 1.411 1.00 0.00 N ATOM 0 H HIS A 62 0.055 -0.723 -0.191 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.619 -1.003 -1.392 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.110 -3.219 -1.743 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.513 -2.505 -1.844 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.211 -3.151 0.378 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.306 -6.195 1.887 1.00 0.00 H new ATOM 0 HE2 HIS A 62 1.004 -5.152 2.031 1.00 0.00 H new ATOM 1016 N CYS A 63 -3.996 -1.698 0.603 1.00 0.00 N ATOM 1017 CA CYS A 63 -4.865 -1.916 1.785 1.00 0.00 C ATOM 1018 C CYS A 63 -5.690 -3.206 1.641 1.00 0.00 C ATOM 1019 O CYS A 63 -5.876 -3.714 0.534 1.00 0.00 O ATOM 1020 CB CYS A 63 -5.794 -0.715 2.014 1.00 0.00 C ATOM 1021 SG CYS A 63 -6.898 -0.890 3.434 1.00 0.00 S ATOM 0 H CYS A 63 -4.504 -1.684 -0.281 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.215 -2.022 2.653 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.186 0.179 2.149 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.395 -0.559 1.118 1.00 0.00 H new ATOM 0 HG CYS A 63 -6.194 -0.954 4.525 1.00 0.00 H new ATOM 1027 N ARG A 64 -6.122 -3.744 2.802 1.00 0.00 N ATOM 1028 CA ARG A 64 -7.003 -4.930 2.908 1.00 0.00 C ATOM 1029 C ARG A 64 -8.326 -4.761 2.133 1.00 0.00 C ATOM 1030 O ARG A 64 -8.877 -5.740 1.625 1.00 0.00 O ATOM 1031 CB ARG A 64 -7.271 -5.221 4.406 1.00 0.00 C ATOM 1032 CG ARG A 64 -8.239 -6.387 4.716 1.00 0.00 C ATOM 1033 CD ARG A 64 -8.202 -6.760 6.205 1.00 0.00 C ATOM 1034 NE ARG A 64 -9.229 -7.735 6.598 1.00 0.00 N ATOM 1035 CZ ARG A 64 -9.297 -8.316 7.812 1.00 0.00 C ATOM 1036 NH1 ARG A 64 -8.336 -8.134 8.715 1.00 0.00 N ATOM 1037 NH2 ARG A 64 -10.311 -9.110 8.111 1.00 0.00 N ATOM 0 H ARG A 64 -5.864 -3.359 3.711 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.493 -5.776 2.448 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.317 -5.431 4.890 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.668 -4.315 4.864 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.254 -6.105 4.434 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.971 -7.255 4.114 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.219 -7.166 6.444 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.327 -5.855 6.800 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.936 -7.988 5.907 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.532 -7.547 8.493 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.404 -8.581 9.629 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.043 -9.284 7.422 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.361 -9.549 9.030 1.00 0.00 H new ATOM 1051 N ALA A 65 -8.830 -3.521 2.078 1.00 0.00 N ATOM 1052 CA ALA A 65 -10.017 -3.169 1.282 1.00 0.00 C ATOM 1053 C ALA A 65 -9.609 -2.153 0.206 1.00 0.00 C ATOM 1054 O ALA A 65 -9.694 -2.431 -0.994 1.00 0.00 O ATOM 1055 CB ALA A 65 -11.137 -2.617 2.189 1.00 0.00 C ATOM 0 H ALA A 65 -8.427 -2.732 2.584 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.413 -4.060 0.794 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.005 -2.363 1.581 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.416 -3.373 2.923 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.781 -1.725 2.704 1.00 0.00 H new ATOM 1061 N GLY A 66 -9.131 -0.982 0.658 1.00 0.00 N ATOM 1062 CA GLY A 66 -8.680 0.082 -0.245 1.00 0.00 C ATOM 1063 C GLY A 66 -8.863 1.474 0.333 1.00 0.00 C ATOM 1064 O GLY A 66 -8.287 2.439 -0.185 1.00 0.00 O ATOM 0 H GLY A 66 -9.048 -0.751 1.648 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.627 -0.071 -0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.229 0.010 -1.184 1.00 0.00 H new ATOM 1068 N ARG A 67 -9.670 1.589 1.402 1.00 0.00 N ATOM 1069 CA ARG A 67 -9.969 2.884 2.026 1.00 0.00 C ATOM 1070 C ARG A 67 -8.736 3.453 2.754 1.00 0.00 C ATOM 1071 O ARG A 67 -8.465 4.641 2.635 1.00 0.00 O ATOM 1072 CB ARG A 67 -11.191 2.783 2.980 1.00 0.00 C ATOM 1073 CG ARG A 67 -11.556 4.110 3.690 1.00 0.00 C ATOM 1074 CD ARG A 67 -11.872 5.271 2.706 1.00 0.00 C ATOM 1075 NE ARG A 67 -11.439 6.575 3.238 1.00 0.00 N ATOM 1076 CZ ARG A 67 -11.614 7.758 2.635 1.00 0.00 C ATOM 1077 NH1 ARG A 67 -12.351 7.870 1.533 1.00 0.00 N ATOM 1078 NH2 ARG A 67 -11.066 8.840 3.156 1.00 0.00 N ATOM 0 H ARG A 67 -10.127 0.796 1.851 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.231 3.580 1.229 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -12.055 2.440 2.410 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.986 2.025 3.736 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -12.420 3.943 4.333 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.730 4.406 4.337 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.376 5.085 1.753 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -12.943 5.297 2.508 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.966 6.577 4.142 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.796 7.045 1.131 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.471 8.781 1.090 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.514 8.771 4.011 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.194 9.745 2.703 1.00 0.00 H new ATOM 1092 N ARG A 68 -7.988 2.601 3.484 1.00 0.00 N ATOM 1093 CA ARG A 68 -6.771 3.042 4.225 1.00 0.00 C ATOM 1094 C ARG A 68 -5.635 3.399 3.258 1.00 0.00 C ATOM 1095 O ARG A 68 -4.747 4.186 3.593 1.00 0.00 O ATOM 1096 CB ARG A 68 -6.291 1.958 5.222 1.00 0.00 C ATOM 1097 CG ARG A 68 -7.399 1.435 6.150 1.00 0.00 C ATOM 1098 CD ARG A 68 -8.084 2.554 6.965 1.00 0.00 C ATOM 1099 NE ARG A 68 -9.364 2.104 7.550 1.00 0.00 N ATOM 1100 CZ ARG A 68 -10.523 2.789 7.501 1.00 0.00 C ATOM 1101 NH1 ARG A 68 -10.590 3.967 6.898 1.00 0.00 N ATOM 1102 NH2 ARG A 68 -11.616 2.284 8.057 1.00 0.00 N ATOM 0 H ARG A 68 -8.197 1.607 3.581 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.045 3.933 4.790 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.874 1.121 4.662 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.484 2.368 5.830 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.150 0.916 5.554 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.974 0.702 6.836 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.417 2.884 7.761 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.262 3.415 6.321 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.371 1.203 8.029 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.758 4.366 6.464 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.474 4.475 6.868 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.579 1.377 8.522 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.493 2.803 8.020 1.00 0.00 H new ATOM 1116 N ALA A 69 -5.675 2.769 2.075 1.00 0.00 N ATOM 1117 CA ALA A 69 -4.782 3.092 0.952 1.00 0.00 C ATOM 1118 C ALA A 69 -4.993 4.553 0.531 1.00 0.00 C ATOM 1119 O ALA A 69 -4.038 5.330 0.440 1.00 0.00 O ATOM 1120 CB ALA A 69 -5.055 2.131 -0.220 1.00 0.00 C ATOM 0 H ALA A 69 -6.332 2.016 1.869 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.743 2.970 1.258 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.392 2.373 -1.051 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.875 1.105 0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.091 2.234 -0.541 1.00 0.00 H new ATOM 1126 N LEU A 70 -6.275 4.904 0.331 1.00 0.00 N ATOM 1127 CA LEU A 70 -6.709 6.263 -0.024 1.00 0.00 C ATOM 1128 C LEU A 70 -6.379 7.261 1.109 1.00 0.00 C ATOM 1129 O LEU A 70 -5.720 8.262 0.859 1.00 0.00 O ATOM 1130 CB LEU A 70 -8.231 6.244 -0.359 1.00 0.00 C ATOM 1131 CG LEU A 70 -8.898 7.610 -0.733 1.00 0.00 C ATOM 1132 CD1 LEU A 70 -8.147 8.325 -1.876 1.00 0.00 C ATOM 1133 CD2 LEU A 70 -10.385 7.414 -1.109 1.00 0.00 C ATOM 0 H LEU A 70 -7.047 4.243 0.413 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.166 6.601 -0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.386 5.554 -1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.761 5.833 0.500 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.840 8.246 0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.644 9.268 -2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.119 8.520 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.147 7.692 -2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.826 8.378 -1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.459 6.743 -1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.920 6.983 -0.263 1.00 0.00 H new ATOM 1145 N ASP A 71 -6.803 6.929 2.350 1.00 0.00 N ATOM 1146 CA ASP A 71 -6.624 7.764 3.571 1.00 0.00 C ATOM 1147 C ASP A 71 -5.172 8.237 3.736 1.00 0.00 C ATOM 1148 O ASP A 71 -4.892 9.450 3.818 1.00 0.00 O ATOM 1149 CB ASP A 71 -7.045 6.953 4.844 1.00 0.00 C ATOM 1150 CG ASP A 71 -8.559 6.923 5.103 1.00 0.00 C ATOM 1151 OD1 ASP A 71 -9.176 8.006 5.181 1.00 0.00 O ATOM 1152 OD2 ASP A 71 -9.138 5.829 5.262 1.00 0.00 O ATOM 0 H ASP A 71 -7.291 6.054 2.540 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.259 8.643 3.457 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.685 5.929 4.743 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.548 7.382 5.714 1.00 0.00 H new ATOM 1157 N ALA A 72 -4.266 7.250 3.762 1.00 0.00 N ATOM 1158 CA ALA A 72 -2.832 7.468 3.972 1.00 0.00 C ATOM 1159 C ALA A 72 -2.220 8.278 2.812 1.00 0.00 C ATOM 1160 O ALA A 72 -1.444 9.218 3.042 1.00 0.00 O ATOM 1161 CB ALA A 72 -2.133 6.107 4.148 1.00 0.00 C ATOM 0 H ALA A 72 -4.513 6.268 3.636 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.684 8.056 4.878 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.066 6.264 4.305 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.554 5.590 5.010 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.284 5.502 3.254 1.00 0.00 H new ATOM 1167 N ALA A 73 -2.626 7.939 1.570 1.00 0.00 N ATOM 1168 CA ALA A 73 -2.108 8.583 0.351 1.00 0.00 C ATOM 1169 C ALA A 73 -2.549 10.056 0.242 1.00 0.00 C ATOM 1170 O ALA A 73 -1.752 10.885 -0.194 1.00 0.00 O ATOM 1171 CB ALA A 73 -2.515 7.789 -0.899 1.00 0.00 C ATOM 0 H ALA A 73 -3.320 7.214 1.388 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.020 8.581 0.420 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.122 8.283 -1.788 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.110 6.779 -0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.602 7.741 -0.962 1.00 0.00 H new ATOM 1177 N LYS A 74 -3.805 10.379 0.652 1.00 0.00 N ATOM 1178 CA LYS A 74 -4.320 11.772 0.613 1.00 0.00 C ATOM 1179 C LYS A 74 -3.469 12.637 1.528 1.00 0.00 C ATOM 1180 O LYS A 74 -2.916 13.632 1.077 1.00 0.00 O ATOM 1181 CB LYS A 74 -5.827 11.892 1.009 1.00 0.00 C ATOM 1182 CG LYS A 74 -6.803 11.059 0.144 1.00 0.00 C ATOM 1183 CD LYS A 74 -8.274 11.558 0.185 1.00 0.00 C ATOM 1184 CE LYS A 74 -8.532 12.737 -0.777 1.00 0.00 C ATOM 1185 NZ LYS A 74 -9.925 13.253 -0.681 1.00 0.00 N ATOM 0 H LYS A 74 -4.474 9.698 1.011 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.252 12.114 -0.420 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.938 11.587 2.050 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.119 12.940 0.951 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.456 11.071 -0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.773 10.022 0.479 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.940 10.734 -0.071 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.521 11.864 1.202 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.833 13.543 -0.555 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.336 12.417 -1.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.049 14.043 -1.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.594 12.493 -0.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.107 13.584 0.288 1.00 0.00 H new ATOM 1199 N SER A 75 -3.315 12.182 2.789 1.00 0.00 N ATOM 1200 CA SER A 75 -2.505 12.860 3.819 1.00 0.00 C ATOM 1201 C SER A 75 -1.083 13.188 3.302 1.00 0.00 C ATOM 1202 O SER A 75 -0.574 14.279 3.531 1.00 0.00 O ATOM 1203 CB SER A 75 -2.441 11.974 5.088 1.00 0.00 C ATOM 1204 OG SER A 75 -3.749 11.692 5.583 1.00 0.00 O ATOM 0 H SER A 75 -3.755 11.324 3.123 1.00 0.00 H new ATOM 0 HA SER A 75 -2.981 13.809 4.065 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.927 11.041 4.858 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.858 12.478 5.859 1.00 0.00 H new ATOM 0 HG SER A 75 -4.149 10.969 5.056 1.00 0.00 H new ATOM 1210 N MET A 76 -0.487 12.246 2.554 1.00 0.00 N ATOM 1211 CA MET A 76 0.867 12.406 1.982 1.00 0.00 C ATOM 1212 C MET A 76 0.894 13.406 0.815 1.00 0.00 C ATOM 1213 O MET A 76 1.833 14.194 0.696 1.00 0.00 O ATOM 1214 CB MET A 76 1.407 11.041 1.535 1.00 0.00 C ATOM 1215 CG MET A 76 1.614 10.073 2.690 1.00 0.00 C ATOM 1216 SD MET A 76 2.764 10.736 3.920 1.00 0.00 S ATOM 1217 CE MET A 76 1.792 10.678 5.420 1.00 0.00 C ATOM 0 H MET A 76 -0.925 11.353 2.327 1.00 0.00 H new ATOM 0 HA MET A 76 1.509 12.814 2.762 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.714 10.600 0.819 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.354 11.184 1.015 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.656 9.862 3.164 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.996 9.126 2.308 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.303 11.233 6.207 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.815 11.125 5.238 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.665 9.641 5.731 1.00 0.00 H new ATOM 1227 N HIS A 77 -0.134 13.358 -0.045 1.00 0.00 N ATOM 1228 CA HIS A 77 -0.320 14.346 -1.130 1.00 0.00 C ATOM 1229 C HIS A 77 -0.483 15.776 -0.554 1.00 0.00 C ATOM 1230 O HIS A 77 -0.071 16.755 -1.184 1.00 0.00 O ATOM 1231 CB HIS A 77 -1.525 13.953 -2.028 1.00 0.00 C ATOM 1232 CG HIS A 77 -1.227 12.924 -3.101 1.00 0.00 C ATOM 1233 ND1 HIS A 77 -1.228 13.231 -4.443 1.00 0.00 N ATOM 1234 CD2 HIS A 77 -0.966 11.594 -3.039 1.00 0.00 C ATOM 1235 CE1 HIS A 77 -0.984 12.153 -5.149 1.00 0.00 C ATOM 1236 NE2 HIS A 77 -0.820 11.144 -4.323 1.00 0.00 N ATOM 0 H HIS A 77 -0.858 12.640 -0.013 1.00 0.00 H new ATOM 0 HA HIS A 77 0.574 14.344 -1.754 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.321 13.569 -1.391 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.908 14.854 -2.508 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.888 10.999 -2.141 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.927 12.103 -6.226 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.617 10.182 -4.595 1.00 0.00 H new ATOM 1245 N GLU A 78 -1.060 15.865 0.664 1.00 0.00 N ATOM 1246 CA GLU A 78 -1.228 17.136 1.405 1.00 0.00 C ATOM 1247 C GLU A 78 0.113 17.602 2.021 1.00 0.00 C ATOM 1248 O GLU A 78 0.289 18.787 2.311 1.00 0.00 O ATOM 1249 CB GLU A 78 -2.307 16.974 2.512 1.00 0.00 C ATOM 1250 CG GLU A 78 -3.664 16.465 1.994 1.00 0.00 C ATOM 1251 CD GLU A 78 -4.737 16.334 3.086 1.00 0.00 C ATOM 1252 OE1 GLU A 78 -5.242 17.375 3.564 1.00 0.00 O ATOM 1253 OE2 GLU A 78 -5.094 15.192 3.468 1.00 0.00 O ATOM 0 H GLU A 78 -1.424 15.054 1.164 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.558 17.900 0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.936 16.282 3.268 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.455 17.935 3.004 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.026 17.145 1.223 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.520 15.494 1.521 1.00 0.00 H new ATOM 1260 N LEU A 79 1.051 16.650 2.225 1.00 0.00 N ATOM 1261 CA LEU A 79 2.426 16.952 2.715 1.00 0.00 C ATOM 1262 C LEU A 79 3.397 17.204 1.538 1.00 0.00 C ATOM 1263 O LEU A 79 4.613 17.273 1.741 1.00 0.00 O ATOM 1264 CB LEU A 79 2.970 15.804 3.613 1.00 0.00 C ATOM 1265 CG LEU A 79 2.072 15.373 4.809 1.00 0.00 C ATOM 1266 CD1 LEU A 79 2.751 14.285 5.672 1.00 0.00 C ATOM 1267 CD2 LEU A 79 1.623 16.577 5.676 1.00 0.00 C ATOM 0 H LEU A 79 0.884 15.658 2.058 1.00 0.00 H new ATOM 0 HA LEU A 79 2.362 17.860 3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.142 14.931 2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.939 16.109 4.007 1.00 0.00 H new ATOM 0 HG LEU A 79 1.171 14.939 4.376 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.093 14.011 6.496 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.950 13.406 5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.690 14.670 6.070 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.999 16.222 6.496 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.501 17.082 6.080 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.053 17.275 5.062 1.00 0.00 H new ATOM 1279 N GLY A 80 2.849 17.315 0.309 1.00 0.00 N ATOM 1280 CA GLY A 80 3.631 17.669 -0.880 1.00 0.00 C ATOM 1281 C GLY A 80 4.242 16.472 -1.604 1.00 0.00 C ATOM 1282 O GLY A 80 5.033 16.661 -2.534 1.00 0.00 O ATOM 0 H GLY A 80 1.858 17.162 0.121 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.990 18.212 -1.575 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.431 18.349 -0.586 1.00 0.00 H new ATOM 1286 N TYR A 81 3.901 15.240 -1.169 1.00 0.00 N ATOM 1287 CA TYR A 81 4.321 13.993 -1.863 1.00 0.00 C ATOM 1288 C TYR A 81 3.283 13.606 -2.932 1.00 0.00 C ATOM 1289 O TYR A 81 2.223 14.230 -3.026 1.00 0.00 O ATOM 1290 CB TYR A 81 4.481 12.835 -0.850 1.00 0.00 C ATOM 1291 CG TYR A 81 5.440 13.142 0.302 1.00 0.00 C ATOM 1292 CD1 TYR A 81 6.819 13.202 0.094 1.00 0.00 C ATOM 1293 CD2 TYR A 81 4.966 13.374 1.591 1.00 0.00 C ATOM 1294 CE1 TYR A 81 7.681 13.478 1.138 1.00 0.00 C ATOM 1295 CE2 TYR A 81 5.826 13.649 2.627 1.00 0.00 C ATOM 1296 CZ TYR A 81 7.179 13.700 2.398 1.00 0.00 C ATOM 1297 OH TYR A 81 8.033 13.978 3.437 1.00 0.00 O ATOM 0 H TYR A 81 3.334 15.077 -0.337 1.00 0.00 H new ATOM 0 HA TYR A 81 5.282 14.175 -2.344 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.502 12.589 -0.438 1.00 0.00 H new ATOM 0 HB3 TYR A 81 4.836 11.950 -1.379 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.217 13.031 -0.895 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.903 13.337 1.780 1.00 0.00 H new ATOM 0 HE1 TYR A 81 8.746 13.519 0.964 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.438 13.825 3.620 1.00 0.00 H new ATOM 0 HH TYR A 81 7.523 14.341 4.191 1.00 0.00 H new ATOM 1307 N THR A 82 3.589 12.565 -3.732 1.00 0.00 N ATOM 1308 CA THR A 82 2.655 12.002 -4.731 1.00 0.00 C ATOM 1309 C THR A 82 2.786 10.445 -4.813 1.00 0.00 C ATOM 1310 O THR A 82 3.189 9.910 -5.855 1.00 0.00 O ATOM 1311 CB THR A 82 2.881 12.650 -6.158 1.00 0.00 C ATOM 1312 OG1 THR A 82 4.290 12.686 -6.461 1.00 0.00 O ATOM 1313 CG2 THR A 82 2.288 14.069 -6.290 1.00 0.00 C ATOM 0 H THR A 82 4.491 12.090 -3.705 1.00 0.00 H new ATOM 0 HA THR A 82 1.644 12.244 -4.403 1.00 0.00 H new ATOM 0 HB THR A 82 2.350 12.020 -6.871 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.424 13.086 -7.345 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.480 14.452 -7.292 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.213 14.032 -6.115 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.752 14.727 -5.556 1.00 0.00 H new ATOM 1321 N PRO A 83 2.476 9.678 -3.707 1.00 0.00 N ATOM 1322 CA PRO A 83 2.421 8.194 -3.769 1.00 0.00 C ATOM 1323 C PRO A 83 1.108 7.670 -4.408 1.00 0.00 C ATOM 1324 O PRO A 83 0.068 8.344 -4.374 1.00 0.00 O ATOM 1325 CB PRO A 83 2.512 7.785 -2.280 1.00 0.00 C ATOM 1326 CG PRO A 83 1.842 8.909 -1.554 1.00 0.00 C ATOM 1327 CD PRO A 83 2.229 10.162 -2.313 1.00 0.00 C ATOM 0 HA PRO A 83 3.211 7.777 -4.393 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.010 6.835 -2.096 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.548 7.665 -1.962 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.760 8.777 -1.538 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.173 8.960 -0.517 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.435 10.908 -2.284 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.119 10.627 -1.888 1.00 0.00 H new ATOM 1335 N TYR A 84 1.187 6.462 -4.982 1.00 0.00 N ATOM 1336 CA TYR A 84 0.026 5.720 -5.517 1.00 0.00 C ATOM 1337 C TYR A 84 -0.582 4.866 -4.397 1.00 0.00 C ATOM 1338 O TYR A 84 -0.002 4.769 -3.305 1.00 0.00 O ATOM 1339 CB TYR A 84 0.465 4.823 -6.707 1.00 0.00 C ATOM 1340 CG TYR A 84 1.092 5.609 -7.869 1.00 0.00 C ATOM 1341 CD1 TYR A 84 0.298 6.170 -8.871 1.00 0.00 C ATOM 1342 CD2 TYR A 84 2.475 5.825 -7.942 1.00 0.00 C ATOM 1343 CE1 TYR A 84 0.852 6.906 -9.900 1.00 0.00 C ATOM 1344 CE2 TYR A 84 3.030 6.569 -8.970 1.00 0.00 C ATOM 1345 CZ TYR A 84 2.213 7.106 -9.944 1.00 0.00 C ATOM 1346 OH TYR A 84 2.759 7.851 -10.968 1.00 0.00 O ATOM 0 H TYR A 84 2.069 5.962 -5.092 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.722 6.424 -5.880 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.183 4.084 -6.349 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.401 4.273 -7.076 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.772 6.025 -8.841 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.119 5.404 -7.184 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.219 7.324 -10.669 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.097 6.728 -9.009 1.00 0.00 H new ATOM 0 HH TYR A 84 3.731 7.900 -10.855 1.00 0.00 H new ATOM 1356 N TYR A 85 -1.738 4.242 -4.666 1.00 0.00 N ATOM 1357 CA TYR A 85 -2.427 3.411 -3.672 1.00 0.00 C ATOM 1358 C TYR A 85 -3.292 2.343 -4.360 1.00 0.00 C ATOM 1359 O TYR A 85 -3.887 2.592 -5.414 1.00 0.00 O ATOM 1360 CB TYR A 85 -3.254 4.291 -2.703 1.00 0.00 C ATOM 1361 CG TYR A 85 -4.381 5.119 -3.345 1.00 0.00 C ATOM 1362 CD1 TYR A 85 -4.104 6.315 -4.005 1.00 0.00 C ATOM 1363 CD2 TYR A 85 -5.716 4.709 -3.278 1.00 0.00 C ATOM 1364 CE1 TYR A 85 -5.106 7.065 -4.565 1.00 0.00 C ATOM 1365 CE2 TYR A 85 -6.724 5.466 -3.840 1.00 0.00 C ATOM 1366 CZ TYR A 85 -6.412 6.643 -4.482 1.00 0.00 C ATOM 1367 OH TYR A 85 -7.413 7.409 -5.047 1.00 0.00 O ATOM 0 H TYR A 85 -2.215 4.298 -5.566 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.679 2.887 -3.077 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.692 3.646 -1.941 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.574 4.973 -2.192 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -3.082 6.657 -4.077 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.963 3.784 -2.778 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -4.869 7.989 -5.072 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -7.751 5.137 -3.776 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.024 8.019 -5.708 1.00 0.00 H new ATOM 1377 N LEU A 86 -3.320 1.148 -3.751 1.00 0.00 N ATOM 1378 CA LEU A 86 -4.008 -0.033 -4.275 1.00 0.00 C ATOM 1379 C LEU A 86 -5.306 -0.265 -3.498 1.00 0.00 C ATOM 1380 O LEU A 86 -5.290 -0.513 -2.267 1.00 0.00 O ATOM 1381 CB LEU A 86 -3.062 -1.273 -4.189 1.00 0.00 C ATOM 1382 CG LEU A 86 -3.533 -2.641 -4.821 1.00 0.00 C ATOM 1383 CD1 LEU A 86 -4.518 -3.434 -3.931 1.00 0.00 C ATOM 1384 CD2 LEU A 86 -4.100 -2.440 -6.234 1.00 0.00 C ATOM 0 H LEU A 86 -2.853 0.976 -2.861 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.267 0.125 -5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.118 -1.000 -4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.851 -1.453 -3.135 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.635 -3.255 -4.892 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.796 -4.361 -4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.042 -3.665 -2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.412 -2.835 -3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.415 -3.401 -6.640 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.956 -1.767 -6.190 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.332 -2.009 -6.876 1.00 0.00 H new ATOM 1396 N GLU A 87 -6.413 -0.196 -4.244 1.00 0.00 N ATOM 1397 CA GLU A 87 -7.737 -0.583 -3.777 1.00 0.00 C ATOM 1398 C GLU A 87 -8.047 -1.996 -4.304 1.00 0.00 C ATOM 1399 O GLU A 87 -8.278 -2.190 -5.508 1.00 0.00 O ATOM 1400 CB GLU A 87 -8.783 0.458 -4.243 1.00 0.00 C ATOM 1401 CG GLU A 87 -8.512 1.880 -3.716 1.00 0.00 C ATOM 1402 CD GLU A 87 -9.566 2.900 -4.161 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -10.618 3.012 -3.498 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -9.354 3.568 -5.190 1.00 0.00 O ATOM 0 H GLU A 87 -6.408 0.138 -5.208 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.773 -0.606 -2.688 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.801 0.480 -5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.772 0.140 -3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.476 1.856 -2.627 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.531 2.207 -4.060 1.00 0.00 H new ATOM 1411 N GLY A 88 -8.011 -2.970 -3.387 1.00 0.00 N ATOM 1412 CA GLY A 88 -8.229 -4.379 -3.704 1.00 0.00 C ATOM 1413 C GLY A 88 -8.015 -5.245 -2.471 1.00 0.00 C ATOM 1414 O GLY A 88 -7.139 -4.933 -1.650 1.00 0.00 O ATOM 0 H GLY A 88 -7.828 -2.797 -2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.241 -4.520 -4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.547 -4.689 -4.496 1.00 0.00 H new ATOM 1418 N ASN A 89 -8.804 -6.334 -2.340 1.00 0.00 N ATOM 1419 CA ASN A 89 -8.741 -7.242 -1.173 1.00 0.00 C ATOM 1420 C ASN A 89 -7.358 -7.910 -1.058 1.00 0.00 C ATOM 1421 O ASN A 89 -6.881 -8.520 -2.016 1.00 0.00 O ATOM 1422 CB ASN A 89 -9.858 -8.323 -1.228 1.00 0.00 C ATOM 1423 CG ASN A 89 -11.250 -7.791 -0.877 1.00 0.00 C ATOM 1424 OD1 ASN A 89 -11.566 -6.623 -1.092 1.00 0.00 O ATOM 1425 ND2 ASN A 89 -12.099 -8.651 -0.335 1.00 0.00 N ATOM 0 H ASN A 89 -9.498 -6.607 -3.035 1.00 0.00 H new ATOM 0 HA ASN A 89 -8.904 -6.631 -0.285 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.885 -8.753 -2.229 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.604 -9.130 -0.541 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -13.041 -8.349 -0.085 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.811 -9.615 -0.167 1.00 0.00 H new ATOM 1432 N VAL A 90 -6.738 -7.780 0.138 1.00 0.00 N ATOM 1433 CA VAL A 90 -5.375 -8.284 0.418 1.00 0.00 C ATOM 1434 C VAL A 90 -5.277 -9.816 0.235 1.00 0.00 C ATOM 1435 O VAL A 90 -4.251 -10.335 -0.190 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.887 -7.841 1.858 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -5.731 -8.484 2.978 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -3.376 -8.102 2.070 1.00 0.00 C ATOM 0 H VAL A 90 -7.172 -7.320 0.939 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.706 -7.833 -0.315 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.038 -6.763 1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.361 -8.152 3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.773 -8.185 2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.656 -9.569 2.913 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.089 -7.782 3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.171 -9.167 1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.803 -7.541 1.332 1.00 0.00 H new ATOM 1448 N TYR A 91 -6.391 -10.513 0.504 1.00 0.00 N ATOM 1449 CA TYR A 91 -6.483 -11.982 0.404 1.00 0.00 C ATOM 1450 C TYR A 91 -6.540 -12.441 -1.074 1.00 0.00 C ATOM 1451 O TYR A 91 -6.136 -13.563 -1.408 1.00 0.00 O ATOM 1452 CB TYR A 91 -7.740 -12.467 1.176 1.00 0.00 C ATOM 1453 CG TYR A 91 -7.776 -12.041 2.657 1.00 0.00 C ATOM 1454 CD1 TYR A 91 -7.108 -12.779 3.637 1.00 0.00 C ATOM 1455 CD2 TYR A 91 -8.455 -10.887 3.070 1.00 0.00 C ATOM 1456 CE1 TYR A 91 -7.124 -12.394 4.966 1.00 0.00 C ATOM 1457 CE2 TYR A 91 -8.468 -10.501 4.398 1.00 0.00 C ATOM 1458 CZ TYR A 91 -7.798 -11.258 5.340 1.00 0.00 C ATOM 1459 OH TYR A 91 -7.808 -10.874 6.663 1.00 0.00 O ATOM 0 H TYR A 91 -7.262 -10.072 0.800 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.590 -12.423 0.848 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -8.630 -12.082 0.677 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -7.789 -13.555 1.121 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.567 -13.669 3.351 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -8.977 -10.288 2.338 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.608 -12.986 5.707 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -9.000 -9.610 4.698 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.952 -11.108 7.078 1.00 0.00 H new ATOM 1469 N ASP A 92 -7.030 -11.546 -1.948 1.00 0.00 N ATOM 1470 CA ASP A 92 -7.253 -11.835 -3.384 1.00 0.00 C ATOM 1471 C ASP A 92 -5.964 -11.726 -4.223 1.00 0.00 C ATOM 1472 O ASP A 92 -5.959 -12.142 -5.377 1.00 0.00 O ATOM 1473 CB ASP A 92 -8.353 -10.893 -3.972 1.00 0.00 C ATOM 1474 CG ASP A 92 -9.792 -11.374 -3.726 1.00 0.00 C ATOM 1475 OD1 ASP A 92 -10.235 -11.386 -2.558 1.00 0.00 O ATOM 1476 OD2 ASP A 92 -10.494 -11.740 -4.704 1.00 0.00 O ATOM 0 H ASP A 92 -7.285 -10.595 -1.682 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.590 -12.870 -3.442 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.235 -9.900 -3.538 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.194 -10.793 -5.046 1.00 0.00 H new ATOM 1481 N PHE A 93 -4.877 -11.180 -3.657 1.00 0.00 N ATOM 1482 CA PHE A 93 -3.605 -10.987 -4.401 1.00 0.00 C ATOM 1483 C PHE A 93 -3.065 -12.327 -4.961 1.00 0.00 C ATOM 1484 O PHE A 93 -2.645 -12.401 -6.125 1.00 0.00 O ATOM 1485 CB PHE A 93 -2.534 -10.310 -3.505 1.00 0.00 C ATOM 1486 CG PHE A 93 -2.891 -8.921 -2.960 1.00 0.00 C ATOM 1487 CD1 PHE A 93 -3.970 -8.188 -3.451 1.00 0.00 C ATOM 1488 CD2 PHE A 93 -2.122 -8.340 -1.962 1.00 0.00 C ATOM 1489 CE1 PHE A 93 -4.263 -6.929 -2.967 1.00 0.00 C ATOM 1490 CE2 PHE A 93 -2.417 -7.086 -1.477 1.00 0.00 C ATOM 1491 CZ PHE A 93 -3.484 -6.377 -1.977 1.00 0.00 C ATOM 0 H PHE A 93 -4.845 -10.862 -2.688 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.820 -10.330 -5.244 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -2.328 -10.967 -2.660 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.610 -10.227 -4.077 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.590 -8.614 -4.226 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.278 -8.880 -1.559 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.102 -6.378 -3.365 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.806 -6.656 -0.698 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.709 -5.392 -1.594 1.00 0.00 H new ATOM 1501 N GLU A 94 -3.139 -13.382 -4.129 1.00 0.00 N ATOM 1502 CA GLU A 94 -2.631 -14.726 -4.470 1.00 0.00 C ATOM 1503 C GLU A 94 -3.360 -15.340 -5.687 1.00 0.00 C ATOM 1504 O GLU A 94 -2.714 -15.903 -6.579 1.00 0.00 O ATOM 1505 CB GLU A 94 -2.729 -15.667 -3.244 1.00 0.00 C ATOM 1506 CG GLU A 94 -1.806 -15.288 -2.072 1.00 0.00 C ATOM 1507 CD GLU A 94 -1.751 -16.359 -0.970 1.00 0.00 C ATOM 1508 OE1 GLU A 94 -2.822 -16.742 -0.442 1.00 0.00 O ATOM 1509 OE2 GLU A 94 -0.640 -16.819 -0.616 1.00 0.00 O ATOM 0 H GLU A 94 -3.554 -13.328 -3.199 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.584 -14.613 -4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.760 -15.675 -2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.493 -16.683 -3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.799 -15.116 -2.452 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.148 -14.348 -1.639 1.00 0.00 H new ATOM 1516 N LYS A 95 -4.703 -15.206 -5.728 1.00 0.00 N ATOM 1517 CA LYS A 95 -5.521 -15.742 -6.844 1.00 0.00 C ATOM 1518 C LYS A 95 -5.390 -14.860 -8.111 1.00 0.00 C ATOM 1519 O LYS A 95 -5.600 -15.339 -9.226 1.00 0.00 O ATOM 1520 CB LYS A 95 -7.011 -15.932 -6.416 1.00 0.00 C ATOM 1521 CG LYS A 95 -7.683 -14.678 -5.834 1.00 0.00 C ATOM 1522 CD LYS A 95 -9.154 -14.877 -5.378 1.00 0.00 C ATOM 1523 CE LYS A 95 -10.177 -14.928 -6.534 1.00 0.00 C ATOM 1524 NZ LYS A 95 -10.109 -16.182 -7.329 1.00 0.00 N ATOM 0 H LYS A 95 -5.245 -14.733 -5.005 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.133 -16.728 -7.098 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.583 -16.264 -7.282 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -7.062 -16.730 -5.676 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.097 -14.332 -4.982 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.654 -13.887 -6.583 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -9.223 -15.803 -4.807 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.426 -14.065 -4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.182 -14.820 -6.125 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.009 -14.078 -7.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -11.063 -16.439 -7.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -9.489 -16.038 -8.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -9.727 -16.948 -6.738 1.00 0.00 H new ATOM 1538 N TYR A 96 -5.012 -13.577 -7.937 1.00 0.00 N ATOM 1539 CA TYR A 96 -4.679 -12.678 -9.074 1.00 0.00 C ATOM 1540 C TYR A 96 -3.224 -12.923 -9.560 1.00 0.00 C ATOM 1541 O TYR A 96 -2.797 -12.346 -10.560 1.00 0.00 O ATOM 1542 CB TYR A 96 -4.929 -11.187 -8.697 1.00 0.00 C ATOM 1543 CG TYR A 96 -6.425 -10.765 -8.696 1.00 0.00 C ATOM 1544 CD1 TYR A 96 -7.367 -11.406 -7.883 1.00 0.00 C ATOM 1545 CD2 TYR A 96 -6.889 -9.718 -9.502 1.00 0.00 C ATOM 1546 CE1 TYR A 96 -8.694 -11.021 -7.865 1.00 0.00 C ATOM 1547 CE2 TYR A 96 -8.219 -9.326 -9.480 1.00 0.00 C ATOM 1548 CZ TYR A 96 -9.114 -9.981 -8.660 1.00 0.00 C ATOM 1549 OH TYR A 96 -10.436 -9.585 -8.631 1.00 0.00 O ATOM 0 H TYR A 96 -4.928 -13.135 -7.022 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.342 -12.912 -9.907 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.511 -11.001 -7.708 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.386 -10.552 -9.397 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.048 -12.223 -7.253 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -6.197 -9.205 -10.154 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.399 -11.535 -7.229 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -8.553 -8.510 -10.103 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.567 -8.837 -9.250 1.00 0.00 H new ATOM 1559 N GLY A 97 -2.467 -13.767 -8.827 1.00 0.00 N ATOM 1560 CA GLY A 97 -1.180 -14.311 -9.313 1.00 0.00 C ATOM 1561 C GLY A 97 0.029 -13.806 -8.541 1.00 0.00 C ATOM 1562 O GLY A 97 1.153 -14.276 -8.759 1.00 0.00 O ATOM 0 H GLY A 97 -2.726 -14.087 -7.894 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.210 -15.399 -9.253 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.061 -14.053 -10.365 1.00 0.00 H new ATOM 1566 N PHE A 98 -0.202 -12.835 -7.652 1.00 0.00 N ATOM 1567 CA PHE A 98 0.845 -12.186 -6.846 1.00 0.00 C ATOM 1568 C PHE A 98 1.033 -12.967 -5.542 1.00 0.00 C ATOM 1569 O PHE A 98 0.129 -12.978 -4.698 1.00 0.00 O ATOM 1570 CB PHE A 98 0.430 -10.723 -6.549 1.00 0.00 C ATOM 1571 CG PHE A 98 0.025 -9.937 -7.800 1.00 0.00 C ATOM 1572 CD1 PHE A 98 0.985 -9.325 -8.604 1.00 0.00 C ATOM 1573 CD2 PHE A 98 -1.318 -9.820 -8.170 1.00 0.00 C ATOM 1574 CE1 PHE A 98 0.621 -8.622 -9.735 1.00 0.00 C ATOM 1575 CE2 PHE A 98 -1.681 -9.118 -9.305 1.00 0.00 C ATOM 1576 CZ PHE A 98 -0.711 -8.518 -10.085 1.00 0.00 C ATOM 0 H PHE A 98 -1.136 -12.470 -7.467 1.00 0.00 H new ATOM 0 HA PHE A 98 1.788 -12.179 -7.392 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.403 -10.726 -5.846 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.259 -10.211 -6.060 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.029 -9.402 -8.338 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.081 -10.283 -7.562 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.378 -8.153 -10.346 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.722 -9.039 -9.581 1.00 0.00 H new ATOM 0 HZ PHE A 98 -0.995 -7.967 -10.969 1.00 0.00 H new ATOM 1586 N ARG A 99 2.196 -13.640 -5.395 1.00 0.00 N ATOM 1587 CA ARG A 99 2.506 -14.438 -4.185 1.00 0.00 C ATOM 1588 C ARG A 99 2.562 -13.543 -2.937 1.00 0.00 C ATOM 1589 O ARG A 99 2.833 -12.331 -3.019 1.00 0.00 O ATOM 1590 CB ARG A 99 3.836 -15.260 -4.317 1.00 0.00 C ATOM 1591 CG ARG A 99 5.164 -14.488 -4.073 1.00 0.00 C ATOM 1592 CD ARG A 99 5.331 -13.290 -5.007 1.00 0.00 C ATOM 1593 NE ARG A 99 6.688 -12.718 -4.981 1.00 0.00 N ATOM 1594 CZ ARG A 99 7.224 -11.956 -5.947 1.00 0.00 C ATOM 1595 NH1 ARG A 99 6.590 -11.769 -7.102 1.00 0.00 N ATOM 1596 NH2 ARG A 99 8.408 -11.398 -5.764 1.00 0.00 N ATOM 0 H ARG A 99 2.935 -13.647 -6.098 1.00 0.00 H new ATOM 0 HA ARG A 99 1.693 -15.157 -4.079 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.792 -16.092 -3.614 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.872 -15.690 -5.318 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.195 -14.144 -3.039 1.00 0.00 H new ATOM 0 HG3 ARG A 99 6.005 -15.168 -4.208 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.092 -13.596 -6.026 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.613 -12.518 -4.729 1.00 0.00 H new ATOM 0 HE ARG A 99 7.266 -12.917 -4.164 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.683 -12.208 -7.263 1.00 0.00 H new ATOM 0 HH12 ARG A 99 7.011 -11.187 -7.826 1.00 0.00 H new ATOM 0 HH21 ARG A 99 8.912 -11.547 -4.890 1.00 0.00 H new ATOM 0 HH22 ARG A 99 8.817 -10.818 -6.497 1.00 0.00 H new ATOM 1610 N MET A 100 2.322 -14.164 -1.789 1.00 0.00 N ATOM 1611 CA MET A 100 2.212 -13.471 -0.497 1.00 0.00 C ATOM 1612 C MET A 100 2.807 -14.326 0.625 1.00 0.00 C ATOM 1613 O MET A 100 2.762 -15.558 0.579 1.00 0.00 O ATOM 1614 CB MET A 100 0.733 -13.139 -0.166 1.00 0.00 C ATOM 1615 CG MET A 100 0.029 -12.190 -1.150 1.00 0.00 C ATOM 1616 SD MET A 100 -1.664 -11.842 -0.662 1.00 0.00 S ATOM 1617 CE MET A 100 -1.380 -11.088 0.927 1.00 0.00 C ATOM 0 H MET A 100 2.196 -15.174 -1.721 1.00 0.00 H new ATOM 0 HA MET A 100 2.772 -12.539 -0.574 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.171 -14.072 -0.123 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.693 -12.697 0.829 1.00 0.00 H new ATOM 0 HG2 MET A 100 0.587 -11.256 -1.213 1.00 0.00 H new ATOM 0 HG3 MET A 100 0.035 -12.632 -2.146 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.309 -10.650 1.293 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.032 -11.844 1.631 1.00 0.00 H new ATOM 0 HE3 MET A 100 -0.625 -10.308 0.830 1.00 0.00 H new ATOM 1627 N VAL A 101 3.343 -13.642 1.640 1.00 0.00 N ATOM 1628 CA VAL A 101 3.955 -14.264 2.816 1.00 0.00 C ATOM 1629 C VAL A 101 2.965 -14.185 3.996 1.00 0.00 C ATOM 1630 O VAL A 101 2.703 -13.091 4.526 1.00 0.00 O ATOM 1631 CB VAL A 101 5.312 -13.552 3.188 1.00 0.00 C ATOM 1632 CG1 VAL A 101 6.026 -14.256 4.372 1.00 0.00 C ATOM 1633 CG2 VAL A 101 6.241 -13.443 1.949 1.00 0.00 C ATOM 0 H VAL A 101 3.364 -12.623 1.667 1.00 0.00 H new ATOM 0 HA VAL A 101 4.179 -15.307 2.593 1.00 0.00 H new ATOM 0 HB VAL A 101 5.072 -12.541 3.516 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.957 -13.735 4.597 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.379 -14.239 5.249 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.245 -15.289 4.103 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.170 -12.948 2.233 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.462 -14.441 1.571 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.744 -12.863 1.171 1.00 0.00 H new ATOM 1643 N TYR A 102 2.380 -15.341 4.344 1.00 0.00 N ATOM 1644 CA TYR A 102 1.479 -15.491 5.500 1.00 0.00 C ATOM 1645 C TYR A 102 2.299 -15.954 6.722 1.00 0.00 C ATOM 1646 O TYR A 102 3.089 -16.903 6.611 1.00 0.00 O ATOM 1647 CB TYR A 102 0.337 -16.514 5.187 1.00 0.00 C ATOM 1648 CG TYR A 102 -0.770 -16.015 4.226 1.00 0.00 C ATOM 1649 CD1 TYR A 102 -0.460 -15.374 3.022 1.00 0.00 C ATOM 1650 CD2 TYR A 102 -2.131 -16.194 4.526 1.00 0.00 C ATOM 1651 CE1 TYR A 102 -1.450 -14.933 2.169 1.00 0.00 C ATOM 1652 CE2 TYR A 102 -3.124 -15.753 3.665 1.00 0.00 C ATOM 1653 CZ TYR A 102 -2.776 -15.127 2.490 1.00 0.00 C ATOM 1654 OH TYR A 102 -3.756 -14.686 1.621 1.00 0.00 O ATOM 0 H TYR A 102 2.520 -16.208 3.826 1.00 0.00 H new ATOM 0 HA TYR A 102 1.013 -14.530 5.717 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.785 -17.411 4.760 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.130 -16.808 6.127 1.00 0.00 H new ATOM 0 HD1 TYR A 102 0.575 -15.221 2.755 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.409 -16.685 5.447 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -1.186 -14.435 1.248 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -4.164 -15.900 3.915 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.710 -15.200 0.788 1.00 0.00 H new