USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 454 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 40 GLN : amide:sc= 0.245 K(o=0.58,f=-1.3) USER MOD Set 1.2: A 43 ASN : amide:sc= 0.334 K(o=0.58,f=-1.3!) USER MOD Set 2.1: A 23 ASN : amide:sc= -1.48 K(o=-15,f=-24!) USER MOD Set 2.2: A 26 GLN : amide:sc= -9.19! C(o=-15!,f=-22!) USER MOD Set 2.3: A 55 GLN : amide:sc= -4.33 K(o=-15,f=-16!) USER MOD Set 3.1: A 21 ASN : amide:sc= -4.1! K(o=-7.5!,f=-2.6) USER MOD Set 3.2: A 52 ASN : amide:sc= -3.36! C(o=-7.5!,f=-11!) USER MOD Set 4.1: A 4 LYS NZ :NH3+ -144:sc= 1.17 (180deg=-0.183) USER MOD Set 4.2: A 6 ASN : amide:sc= 0.995 K(o=2.2,f=-3.8) USER MOD Single : A 1 VAL N :NH3+ 173:sc= -0.845 (180deg=-0.903) USER MOD Single : A 3 ASN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 107:sc= 0.207 USER MOD Single : A 18 ASN : amide:sc= -0.4 K(o=-0.4,f=-1.7) USER MOD Single : A 28 LYS NZ :NH3+ -152:sc= 0.416 (180deg=-0.23) USER MOD Single : A 33 SER OG : rot -49:sc= -6.06! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -89:sc= 0.667 USER MOD Single : A 49 LYS NZ :NH3+ 157:sc= -5.08! (180deg=-6.74!) USER MOD Single : A 50 LYS NZ :NH3+ 163:sc= -0.119 (180deg=-0.674) USER MOD Single : A 58 LYS NZ :NH3+ -110:sc= -1.26! (180deg=-1.9) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 13.982 -15.023 9.876 1.00 0.00 N ATOM 2 CA VAL A 1 14.519 -13.702 10.318 1.00 0.00 C ATOM 3 C VAL A 1 13.445 -12.629 10.132 1.00 0.00 C ATOM 4 O VAL A 1 12.312 -12.932 9.747 1.00 0.00 O ATOM 5 CB VAL A 1 15.776 -13.349 9.496 1.00 0.00 C ATOM 6 CG1 VAL A 1 16.905 -14.336 9.821 1.00 0.00 C ATOM 7 CG2 VAL A 1 15.461 -13.413 7.991 1.00 0.00 C ATOM 0 H1 VAL A 1 14.745 -15.730 9.889 1.00 0.00 H new ATOM 0 H2 VAL A 1 13.222 -15.322 10.520 1.00 0.00 H new ATOM 0 H3 VAL A 1 13.605 -14.939 8.910 1.00 0.00 H new ATOM 0 HA VAL A 1 14.793 -13.752 11.372 1.00 0.00 H new ATOM 0 HB VAL A 1 16.090 -12.338 9.754 1.00 0.00 H new ATOM 0 HG11 VAL A 1 17.790 -14.082 9.238 1.00 0.00 H new ATOM 0 HG12 VAL A 1 17.142 -14.280 10.883 1.00 0.00 H new ATOM 0 HG13 VAL A 1 16.586 -15.348 9.573 1.00 0.00 H new ATOM 0 HG21 VAL A 1 16.356 -13.162 7.421 1.00 0.00 H new ATOM 0 HG22 VAL A 1 15.135 -14.420 7.730 1.00 0.00 H new ATOM 0 HG23 VAL A 1 14.669 -12.703 7.755 1.00 0.00 H new ATOM 19 N ASP A 2 13.816 -11.374 10.402 1.00 0.00 N ATOM 20 CA ASP A 2 12.891 -10.250 10.258 1.00 0.00 C ATOM 21 C ASP A 2 12.345 -10.189 8.833 1.00 0.00 C ATOM 22 O ASP A 2 11.177 -9.854 8.618 1.00 0.00 O ATOM 23 CB ASP A 2 13.612 -8.939 10.592 1.00 0.00 C ATOM 24 CG ASP A 2 14.132 -8.979 12.028 1.00 0.00 C ATOM 25 OD1 ASP A 2 13.316 -8.967 12.936 1.00 0.00 O ATOM 26 OD2 ASP A 2 15.340 -9.023 12.200 1.00 0.00 O ATOM 0 H ASP A 2 14.749 -11.113 10.721 1.00 0.00 H new ATOM 0 HA ASP A 2 12.058 -10.392 10.947 1.00 0.00 H new ATOM 0 HB2 ASP A 2 14.440 -8.784 9.901 1.00 0.00 H new ATOM 0 HB3 ASP A 2 12.931 -8.098 10.467 1.00 0.00 H new ATOM 31 N ASN A 3 13.200 -10.534 7.867 1.00 0.00 N ATOM 32 CA ASN A 3 12.806 -10.536 6.463 1.00 0.00 C ATOM 33 C ASN A 3 12.020 -11.806 6.150 1.00 0.00 C ATOM 34 O ASN A 3 12.539 -12.919 6.264 1.00 0.00 O ATOM 35 CB ASN A 3 14.047 -10.456 5.565 1.00 0.00 C ATOM 36 CG ASN A 3 14.827 -9.173 5.847 1.00 0.00 C ATOM 37 OD1 ASN A 3 14.238 -8.103 6.004 1.00 0.00 O ATOM 38 ND2 ASN A 3 16.129 -9.216 5.920 1.00 0.00 N ATOM 0 H ASN A 3 14.166 -10.814 8.034 1.00 0.00 H new ATOM 0 HA ASN A 3 12.177 -9.667 6.271 1.00 0.00 H new ATOM 0 HB2 ASN A 3 14.685 -11.323 5.738 1.00 0.00 H new ATOM 0 HB3 ASN A 3 13.748 -10.484 4.517 1.00 0.00 H new ATOM 0 HD21 ASN A 3 16.658 -8.364 6.107 1.00 0.00 H new ATOM 0 HD22 ASN A 3 16.618 -10.102 5.790 1.00 0.00 H new ATOM 45 N LYS A 4 10.759 -11.617 5.769 1.00 0.00 N ATOM 46 CA LYS A 4 9.867 -12.730 5.447 1.00 0.00 C ATOM 47 C LYS A 4 8.659 -12.207 4.663 1.00 0.00 C ATOM 48 O LYS A 4 8.786 -11.250 3.905 1.00 0.00 O ATOM 49 CB LYS A 4 9.445 -13.447 6.747 1.00 0.00 C ATOM 50 CG LYS A 4 8.757 -12.465 7.706 1.00 0.00 C ATOM 51 CD LYS A 4 8.582 -13.125 9.080 1.00 0.00 C ATOM 52 CE LYS A 4 7.789 -12.196 10.006 1.00 0.00 C ATOM 53 NZ LYS A 4 8.604 -10.985 10.310 1.00 0.00 N ATOM 0 H LYS A 4 10.329 -10.697 5.675 1.00 0.00 H new ATOM 0 HA LYS A 4 10.382 -13.457 4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.769 -14.269 6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.320 -13.882 7.229 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.352 -11.557 7.801 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.787 -12.170 7.307 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.062 -14.077 8.973 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.557 -13.342 9.516 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.851 -11.907 9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.533 -12.716 10.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.430 -10.687 11.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.613 -11.206 10.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.338 -10.216 9.662 1.00 0.00 H new ATOM 67 N PHE A 5 7.497 -12.827 4.843 1.00 0.00 N ATOM 68 CA PHE A 5 6.286 -12.397 4.140 1.00 0.00 C ATOM 69 C PHE A 5 5.889 -10.979 4.548 1.00 0.00 C ATOM 70 O PHE A 5 5.209 -10.273 3.805 1.00 0.00 O ATOM 71 CB PHE A 5 5.136 -13.366 4.449 1.00 0.00 C ATOM 72 CG PHE A 5 4.846 -13.353 5.938 1.00 0.00 C ATOM 73 CD1 PHE A 5 5.588 -14.168 6.804 1.00 0.00 C ATOM 74 CD2 PHE A 5 3.841 -12.523 6.451 1.00 0.00 C ATOM 75 CE1 PHE A 5 5.324 -14.152 8.178 1.00 0.00 C ATOM 76 CE2 PHE A 5 3.578 -12.509 7.826 1.00 0.00 C ATOM 77 CZ PHE A 5 4.319 -13.322 8.689 1.00 0.00 C ATOM 0 H PHE A 5 7.365 -13.624 5.465 1.00 0.00 H new ATOM 0 HA PHE A 5 6.492 -12.401 3.070 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.244 -13.078 3.892 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.400 -14.374 4.128 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.364 -14.808 6.411 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.269 -11.894 5.786 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.896 -14.780 8.845 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.802 -11.870 8.220 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.116 -13.310 9.750 1.00 0.00 H new ATOM 87 N ASN A 6 6.322 -10.580 5.737 1.00 0.00 N ATOM 88 CA ASN A 6 6.013 -9.253 6.258 1.00 0.00 C ATOM 89 C ASN A 6 7.015 -8.211 5.743 1.00 0.00 C ATOM 90 O ASN A 6 6.819 -7.015 5.942 1.00 0.00 O ATOM 91 CB ASN A 6 5.969 -9.299 7.805 1.00 0.00 C ATOM 92 CG ASN A 6 7.052 -8.423 8.436 1.00 0.00 C ATOM 93 OD1 ASN A 6 8.203 -8.841 8.551 1.00 0.00 O ATOM 94 ND2 ASN A 6 6.742 -7.224 8.845 1.00 0.00 N ATOM 0 H ASN A 6 6.889 -11.156 6.360 1.00 0.00 H new ATOM 0 HA ASN A 6 5.031 -8.947 5.898 1.00 0.00 H new ATOM 0 HB2 ASN A 6 4.989 -8.968 8.150 1.00 0.00 H new ATOM 0 HB3 ASN A 6 6.094 -10.328 8.141 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.456 -6.627 9.263 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.786 -6.883 8.747 1.00 0.00 H new ATOM 101 N LYS A 7 8.070 -8.659 5.056 1.00 0.00 N ATOM 102 CA LYS A 7 9.051 -7.720 4.505 1.00 0.00 C ATOM 103 C LYS A 7 8.353 -6.815 3.492 1.00 0.00 C ATOM 104 O LYS A 7 8.693 -5.641 3.334 1.00 0.00 O ATOM 105 CB LYS A 7 10.215 -8.478 3.837 1.00 0.00 C ATOM 106 CG LYS A 7 11.560 -7.846 4.230 1.00 0.00 C ATOM 107 CD LYS A 7 11.713 -6.463 3.581 1.00 0.00 C ATOM 108 CE LYS A 7 13.149 -5.961 3.773 1.00 0.00 C ATOM 109 NZ LYS A 7 13.328 -4.677 3.038 1.00 0.00 N ATOM 0 H LYS A 7 8.265 -9.643 4.871 1.00 0.00 H new ATOM 0 HA LYS A 7 9.466 -7.116 5.311 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.196 -9.525 4.138 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.098 -8.456 2.754 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.623 -7.755 5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.379 -8.494 3.917 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.476 -6.520 2.519 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.009 -5.761 4.027 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.357 -5.818 4.833 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.858 -6.704 3.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.302 -4.336 3.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.146 -4.828 2.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.661 -3.970 3.407 1.00 0.00 H new ATOM 123 N GLU A 8 7.350 -7.391 2.840 1.00 0.00 N ATOM 124 CA GLU A 8 6.541 -6.682 1.852 1.00 0.00 C ATOM 125 C GLU A 8 5.762 -5.552 2.512 1.00 0.00 C ATOM 126 O GLU A 8 5.477 -4.534 1.891 1.00 0.00 O ATOM 127 CB GLU A 8 5.556 -7.651 1.177 1.00 0.00 C ATOM 128 CG GLU A 8 6.318 -8.676 0.323 1.00 0.00 C ATOM 129 CD GLU A 8 6.608 -9.934 1.143 1.00 0.00 C ATOM 130 OE1 GLU A 8 7.632 -9.966 1.803 1.00 0.00 O ATOM 131 OE2 GLU A 8 5.796 -10.845 1.101 1.00 0.00 O ATOM 0 H GLU A 8 7.073 -8.363 2.980 1.00 0.00 H new ATOM 0 HA GLU A 8 7.211 -6.264 1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.965 -8.166 1.934 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.858 -7.094 0.552 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.731 -8.935 -0.558 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.252 -8.241 -0.033 1.00 0.00 H new ATOM 138 N LEU A 9 5.398 -5.768 3.770 1.00 0.00 N ATOM 139 CA LEU A 9 4.621 -4.787 4.530 1.00 0.00 C ATOM 140 C LEU A 9 5.364 -3.475 4.669 1.00 0.00 C ATOM 141 O LEU A 9 4.778 -2.410 4.489 1.00 0.00 O ATOM 142 CB LEU A 9 4.327 -5.296 5.956 1.00 0.00 C ATOM 143 CG LEU A 9 3.389 -6.531 6.000 1.00 0.00 C ATOM 144 CD1 LEU A 9 2.009 -6.097 6.482 1.00 0.00 C ATOM 145 CD2 LEU A 9 3.242 -7.221 4.636 1.00 0.00 C ATOM 0 H LEU A 9 5.627 -6.615 4.290 1.00 0.00 H new ATOM 0 HA LEU A 9 3.695 -4.638 3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.269 -5.550 6.442 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.877 -4.489 6.534 1.00 0.00 H new ATOM 0 HG LEU A 9 3.840 -7.250 6.684 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.346 -6.962 6.514 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.091 -5.665 7.479 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.602 -5.353 5.797 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.574 -8.077 4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.828 -6.516 3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.219 -7.560 4.292 1.00 0.00 H new ATOM 157 N GLY A 10 6.656 -3.550 4.974 1.00 0.00 N ATOM 158 CA GLY A 10 7.447 -2.347 5.123 1.00 0.00 C ATOM 159 C GLY A 10 7.628 -1.721 3.769 1.00 0.00 C ATOM 160 O GLY A 10 7.742 -0.505 3.639 1.00 0.00 O ATOM 0 H GLY A 10 7.166 -4.421 5.120 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.952 -1.650 5.799 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.416 -2.583 5.563 1.00 0.00 H new ATOM 164 N TRP A 11 7.662 -2.593 2.769 1.00 0.00 N ATOM 165 CA TRP A 11 7.855 -2.187 1.403 1.00 0.00 C ATOM 166 C TRP A 11 6.640 -1.484 0.808 1.00 0.00 C ATOM 167 O TRP A 11 6.759 -0.391 0.260 1.00 0.00 O ATOM 168 CB TRP A 11 8.153 -3.435 0.576 1.00 0.00 C ATOM 169 CG TRP A 11 8.827 -3.013 -0.664 1.00 0.00 C ATOM 170 CD1 TRP A 11 10.066 -2.517 -0.700 1.00 0.00 C ATOM 171 CD2 TRP A 11 8.330 -3.022 -2.025 1.00 0.00 C ATOM 172 NE1 TRP A 11 10.378 -2.199 -2.012 1.00 0.00 N ATOM 173 CE2 TRP A 11 9.336 -2.506 -2.869 1.00 0.00 C ATOM 174 CE3 TRP A 11 7.116 -3.427 -2.601 1.00 0.00 C ATOM 175 CZ2 TRP A 11 9.146 -2.394 -4.246 1.00 0.00 C ATOM 176 CZ3 TRP A 11 6.919 -3.319 -3.985 1.00 0.00 C ATOM 177 CH2 TRP A 11 7.933 -2.805 -4.808 1.00 0.00 C ATOM 0 H TRP A 11 7.555 -3.600 2.893 1.00 0.00 H new ATOM 0 HA TRP A 11 8.678 -1.473 1.383 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.786 -4.122 1.138 1.00 0.00 H new ATOM 0 HB3 TRP A 11 7.231 -3.968 0.345 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.717 -2.386 0.152 1.00 0.00 H new ATOM 0 HE1 TRP A 11 11.264 -1.790 -2.309 1.00 0.00 H new ATOM 0 HE3 TRP A 11 6.330 -3.824 -1.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 9.929 -1.993 -4.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 5.982 -3.633 -4.420 1.00 0.00 H new ATOM 0 HH2 TRP A 11 7.777 -2.727 -5.874 1.00 0.00 H new ATOM 188 N ALA A 12 5.481 -2.124 0.898 1.00 0.00 N ATOM 189 CA ALA A 12 4.267 -1.557 0.331 1.00 0.00 C ATOM 190 C ALA A 12 3.800 -0.320 1.079 1.00 0.00 C ATOM 191 O ALA A 12 3.197 0.570 0.492 1.00 0.00 O ATOM 192 CB ALA A 12 3.156 -2.594 0.312 1.00 0.00 C ATOM 0 H ALA A 12 5.357 -3.028 1.354 1.00 0.00 H new ATOM 0 HA ALA A 12 4.506 -1.255 -0.689 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.255 -2.154 -0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.465 -3.447 -0.292 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.951 -2.926 1.330 1.00 0.00 H new ATOM 198 N THR A 13 4.061 -0.270 2.377 1.00 0.00 N ATOM 199 CA THR A 13 3.622 0.866 3.174 1.00 0.00 C ATOM 200 C THR A 13 4.234 2.131 2.629 1.00 0.00 C ATOM 201 O THR A 13 3.528 3.107 2.411 1.00 0.00 O ATOM 202 CB THR A 13 4.009 0.685 4.656 1.00 0.00 C ATOM 203 OG1 THR A 13 3.336 -0.445 5.189 1.00 0.00 O ATOM 204 CG2 THR A 13 3.628 1.936 5.463 1.00 0.00 C ATOM 0 H THR A 13 4.566 -0.990 2.894 1.00 0.00 H new ATOM 0 HA THR A 13 2.536 0.932 3.115 1.00 0.00 H new ATOM 0 HB THR A 13 5.087 0.535 4.723 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.974 -1.179 5.308 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.907 1.794 6.507 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.154 2.802 5.061 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.553 2.100 5.394 1.00 0.00 H new ATOM 212 N TRP A 14 5.540 2.092 2.386 1.00 0.00 N ATOM 213 CA TRP A 14 6.235 3.243 1.846 1.00 0.00 C ATOM 214 C TRP A 14 5.822 3.486 0.382 1.00 0.00 C ATOM 215 O TRP A 14 5.665 4.636 -0.026 1.00 0.00 O ATOM 216 CB TRP A 14 7.758 3.077 2.062 1.00 0.00 C ATOM 217 CG TRP A 14 8.395 2.205 1.029 1.00 0.00 C ATOM 218 CD1 TRP A 14 8.970 1.012 1.285 1.00 0.00 C ATOM 219 CD2 TRP A 14 8.563 2.438 -0.393 1.00 0.00 C ATOM 220 NE1 TRP A 14 9.422 0.470 0.104 1.00 0.00 N ATOM 221 CE2 TRP A 14 9.195 1.310 -0.956 1.00 0.00 C ATOM 222 CE3 TRP A 14 8.211 3.495 -1.245 1.00 0.00 C ATOM 223 CZ2 TRP A 14 9.458 1.232 -2.310 1.00 0.00 C ATOM 224 CZ3 TRP A 14 8.476 3.419 -2.609 1.00 0.00 C ATOM 225 CH2 TRP A 14 9.092 2.288 -3.137 1.00 0.00 C ATOM 0 H TRP A 14 6.131 1.278 2.555 1.00 0.00 H new ATOM 0 HA TRP A 14 5.947 4.149 2.379 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.232 4.058 2.046 1.00 0.00 H new ATOM 0 HB3 TRP A 14 7.937 2.653 3.050 1.00 0.00 H new ATOM 0 HD1 TRP A 14 9.061 0.556 2.260 1.00 0.00 H new ATOM 0 HE1 TRP A 14 9.870 -0.443 0.026 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.731 4.374 -0.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 9.943 0.359 -2.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.204 4.238 -3.258 1.00 0.00 H new ATOM 0 HH2 TRP A 14 9.287 2.230 -4.198 1.00 0.00 H new ATOM 236 N GLU A 15 5.610 2.404 -0.396 1.00 0.00 N ATOM 237 CA GLU A 15 5.194 2.527 -1.799 1.00 0.00 C ATOM 238 C GLU A 15 3.885 3.302 -1.913 1.00 0.00 C ATOM 239 O GLU A 15 3.743 4.220 -2.723 1.00 0.00 O ATOM 240 CB GLU A 15 4.912 1.126 -2.342 1.00 0.00 C ATOM 241 CG GLU A 15 6.180 0.290 -2.488 1.00 0.00 C ATOM 242 CD GLU A 15 6.409 -0.076 -3.957 1.00 0.00 C ATOM 243 OE1 GLU A 15 5.537 -0.708 -4.533 1.00 0.00 O ATOM 244 OE2 GLU A 15 7.449 0.271 -4.483 1.00 0.00 O ATOM 0 H GLU A 15 5.721 1.443 -0.074 1.00 0.00 H new ATOM 0 HA GLU A 15 5.985 3.040 -2.346 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.218 0.614 -1.675 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.421 1.208 -3.312 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.036 0.846 -2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.097 -0.617 -1.889 1.00 0.00 H new ATOM 251 N ILE A 16 2.943 2.899 -1.086 1.00 0.00 N ATOM 252 CA ILE A 16 1.617 3.497 -1.029 1.00 0.00 C ATOM 253 C ILE A 16 1.711 4.885 -0.426 1.00 0.00 C ATOM 254 O ILE A 16 1.100 5.833 -0.911 1.00 0.00 O ATOM 255 CB ILE A 16 0.764 2.537 -0.196 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.771 1.202 -0.950 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.684 3.039 -0.010 1.00 0.00 C ATOM 258 CD1 ILE A 16 0.063 0.138 -0.138 1.00 0.00 C ATOM 0 H ILE A 16 3.075 2.135 -0.423 1.00 0.00 H new ATOM 0 HA ILE A 16 1.165 3.630 -2.012 1.00 0.00 H new ATOM 0 HB ILE A 16 1.177 2.447 0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.280 1.319 -1.916 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.797 0.894 -1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.244 2.320 0.588 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.672 4.003 0.498 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.159 3.149 -0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.075 -0.805 -0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.572 0.010 0.817 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.969 0.442 0.039 1.00 0.00 H new ATOM 270 N PHE A 17 2.517 4.994 0.613 1.00 0.00 N ATOM 271 CA PHE A 17 2.736 6.282 1.276 1.00 0.00 C ATOM 272 C PHE A 17 3.427 7.285 0.347 1.00 0.00 C ATOM 273 O PHE A 17 3.378 8.493 0.591 1.00 0.00 O ATOM 274 CB PHE A 17 3.615 6.098 2.518 1.00 0.00 C ATOM 275 CG PHE A 17 2.804 6.157 3.797 1.00 0.00 C ATOM 276 CD1 PHE A 17 1.736 7.064 3.946 1.00 0.00 C ATOM 277 CD2 PHE A 17 3.136 5.298 4.850 1.00 0.00 C ATOM 278 CE1 PHE A 17 1.015 7.098 5.144 1.00 0.00 C ATOM 279 CE2 PHE A 17 2.411 5.333 6.044 1.00 0.00 C ATOM 280 CZ PHE A 17 1.350 6.232 6.192 1.00 0.00 C ATOM 0 H PHE A 17 3.033 4.214 1.021 1.00 0.00 H new ATOM 0 HA PHE A 17 1.755 6.668 1.555 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.131 5.140 2.459 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.382 6.872 2.538 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.475 7.731 3.138 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.957 4.605 4.740 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.198 7.794 5.261 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.670 4.666 6.853 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.789 6.258 7.115 1.00 0.00 H new ATOM 290 N ASN A 18 4.074 6.781 -0.706 1.00 0.00 N ATOM 291 CA ASN A 18 4.781 7.645 -1.652 1.00 0.00 C ATOM 292 C ASN A 18 3.813 8.225 -2.674 1.00 0.00 C ATOM 293 O ASN A 18 4.226 8.724 -3.726 1.00 0.00 O ATOM 294 CB ASN A 18 5.899 6.856 -2.357 1.00 0.00 C ATOM 295 CG ASN A 18 7.154 6.804 -1.483 1.00 0.00 C ATOM 296 OD1 ASN A 18 7.077 6.947 -0.261 1.00 0.00 O ATOM 297 ND2 ASN A 18 8.315 6.609 -2.042 1.00 0.00 N ATOM 0 H ASN A 18 4.123 5.786 -0.924 1.00 0.00 H new ATOM 0 HA ASN A 18 5.230 8.471 -1.100 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.557 5.844 -2.572 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.134 7.323 -3.313 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.158 6.575 -1.469 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.381 6.490 -3.053 1.00 0.00 H new ATOM 304 N LEU A 19 2.522 8.169 -2.350 1.00 0.00 N ATOM 305 CA LEU A 19 1.504 8.699 -3.230 1.00 0.00 C ATOM 306 C LEU A 19 1.232 10.143 -2.879 1.00 0.00 C ATOM 307 O LEU A 19 0.966 10.460 -1.717 1.00 0.00 O ATOM 308 CB LEU A 19 0.229 7.870 -3.121 1.00 0.00 C ATOM 309 CG LEU A 19 0.427 6.520 -3.825 1.00 0.00 C ATOM 310 CD1 LEU A 19 -0.915 5.845 -4.066 1.00 0.00 C ATOM 311 CD2 LEU A 19 1.109 6.717 -5.168 1.00 0.00 C ATOM 0 H LEU A 19 2.166 7.762 -1.485 1.00 0.00 H new ATOM 0 HA LEU A 19 1.857 8.647 -4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.024 7.711 -2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.605 8.407 -3.572 1.00 0.00 H new ATOM 0 HG LEU A 19 1.047 5.896 -3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.757 4.889 -4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.415 5.677 -3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.536 6.484 -4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.242 5.750 -5.654 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.493 7.358 -5.798 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.082 7.184 -5.017 1.00 0.00 H new ATOM 323 N PRO A 20 1.341 11.035 -3.836 1.00 0.00 N ATOM 324 CA PRO A 20 1.155 12.470 -3.575 1.00 0.00 C ATOM 325 C PRO A 20 -0.290 12.914 -3.319 1.00 0.00 C ATOM 326 O PRO A 20 -0.520 14.116 -3.167 1.00 0.00 O ATOM 327 CB PRO A 20 1.719 13.182 -4.818 1.00 0.00 C ATOM 328 CG PRO A 20 2.205 12.119 -5.751 1.00 0.00 C ATOM 329 CD PRO A 20 1.655 10.786 -5.255 1.00 0.00 C ATOM 0 HA PRO A 20 1.666 12.724 -2.646 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.951 13.791 -5.295 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.532 13.853 -4.542 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.867 12.318 -6.768 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.295 12.099 -5.775 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.768 10.488 -5.814 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.387 9.986 -5.367 1.00 0.00 H new ATOM 337 N ASN A 21 -1.274 11.993 -3.288 1.00 0.00 N ATOM 338 CA ASN A 21 -2.651 12.423 -3.073 1.00 0.00 C ATOM 339 C ASN A 21 -3.321 11.650 -1.944 1.00 0.00 C ATOM 340 O ASN A 21 -4.431 11.994 -1.551 1.00 0.00 O ATOM 341 CB ASN A 21 -3.442 12.258 -4.374 1.00 0.00 C ATOM 342 CG ASN A 21 -2.756 13.011 -5.513 1.00 0.00 C ATOM 343 OD1 ASN A 21 -2.402 14.180 -5.365 1.00 0.00 O ATOM 344 ND2 ASN A 21 -2.549 12.408 -6.647 1.00 0.00 N ATOM 0 H ASN A 21 -1.141 10.988 -3.405 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.637 13.472 -2.778 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.524 11.201 -4.626 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.457 12.633 -4.240 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.093 12.904 -7.413 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.842 11.439 -6.770 1.00 0.00 H new ATOM 351 N LEU A 22 -2.654 10.624 -1.410 1.00 0.00 N ATOM 352 CA LEU A 22 -3.233 9.845 -0.322 1.00 0.00 C ATOM 353 C LEU A 22 -3.290 10.615 0.983 1.00 0.00 C ATOM 354 O LEU A 22 -2.578 11.600 1.190 1.00 0.00 O ATOM 355 CB LEU A 22 -2.406 8.597 -0.032 1.00 0.00 C ATOM 356 CG LEU A 22 -2.479 7.573 -1.163 1.00 0.00 C ATOM 357 CD1 LEU A 22 -1.746 6.293 -0.723 1.00 0.00 C ATOM 358 CD2 LEU A 22 -3.937 7.231 -1.455 1.00 0.00 C ATOM 0 H LEU A 22 -1.728 10.320 -1.710 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.238 9.596 -0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.367 8.883 0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.757 8.139 0.892 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.016 7.986 -2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.792 5.554 -1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.704 6.527 -0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.222 5.890 0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.985 6.500 -2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.399 6.814 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.470 8.134 -1.751 1.00 0.00 H new ATOM 370 N ASN A 23 -4.109 10.078 1.876 1.00 0.00 N ATOM 371 CA ASN A 23 -4.265 10.598 3.220 1.00 0.00 C ATOM 372 C ASN A 23 -4.033 9.433 4.184 1.00 0.00 C ATOM 373 O ASN A 23 -4.130 8.268 3.784 1.00 0.00 O ATOM 374 CB ASN A 23 -5.665 11.201 3.408 1.00 0.00 C ATOM 375 CG ASN A 23 -6.735 10.234 2.909 1.00 0.00 C ATOM 376 OD1 ASN A 23 -6.821 9.110 3.384 1.00 0.00 O ATOM 377 ND2 ASN A 23 -7.555 10.609 1.968 1.00 0.00 N ATOM 0 H ASN A 23 -4.688 9.261 1.682 1.00 0.00 H new ATOM 0 HA ASN A 23 -3.549 11.397 3.412 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.832 11.426 4.461 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.737 12.144 2.866 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.269 9.965 1.627 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.483 11.546 1.572 1.00 0.00 H new ATOM 384 N GLY A 24 -3.707 9.744 5.433 1.00 0.00 N ATOM 385 CA GLY A 24 -3.440 8.716 6.439 1.00 0.00 C ATOM 386 C GLY A 24 -4.518 7.630 6.462 1.00 0.00 C ATOM 387 O GLY A 24 -4.237 6.489 6.823 1.00 0.00 O ATOM 0 H GLY A 24 -3.620 10.701 5.776 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.471 8.258 6.239 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.376 9.182 7.422 1.00 0.00 H new ATOM 391 N VAL A 25 -5.747 7.986 6.080 1.00 0.00 N ATOM 392 CA VAL A 25 -6.848 7.022 6.073 1.00 0.00 C ATOM 393 C VAL A 25 -6.691 6.012 4.934 1.00 0.00 C ATOM 394 O VAL A 25 -6.804 4.805 5.153 1.00 0.00 O ATOM 395 CB VAL A 25 -8.190 7.757 5.936 1.00 0.00 C ATOM 396 CG1 VAL A 25 -9.341 6.742 5.966 1.00 0.00 C ATOM 397 CG2 VAL A 25 -8.350 8.745 7.099 1.00 0.00 C ATOM 0 H VAL A 25 -6.003 8.925 5.775 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.827 6.478 7.017 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.211 8.298 4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.291 7.267 5.869 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.228 6.039 5.140 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.322 6.198 6.910 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.302 9.268 7.004 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.327 8.202 8.044 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.535 9.468 7.077 1.00 0.00 H new ATOM 407 N GLN A 26 -6.439 6.515 3.722 1.00 0.00 N ATOM 408 CA GLN A 26 -6.282 5.663 2.553 1.00 0.00 C ATOM 409 C GLN A 26 -5.032 4.816 2.636 1.00 0.00 C ATOM 410 O GLN A 26 -5.076 3.610 2.393 1.00 0.00 O ATOM 411 CB GLN A 26 -6.220 6.531 1.310 1.00 0.00 C ATOM 412 CG GLN A 26 -7.612 7.085 1.048 1.00 0.00 C ATOM 413 CD GLN A 26 -7.604 8.018 -0.149 1.00 0.00 C ATOM 414 OE1 GLN A 26 -6.653 8.054 -0.922 1.00 0.00 O ATOM 415 NE2 GLN A 26 -8.622 8.783 -0.342 1.00 0.00 N ATOM 0 H GLN A 26 -6.340 7.512 3.531 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.138 4.990 2.509 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.507 7.344 1.449 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.876 5.948 0.456 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.307 6.265 0.871 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.967 7.619 1.929 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.413 8.752 0.302 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.638 9.420 -1.139 1.00 0.00 H new ATOM 424 N VAL A 27 -3.919 5.454 2.975 1.00 0.00 N ATOM 425 CA VAL A 27 -2.658 4.741 3.071 1.00 0.00 C ATOM 426 C VAL A 27 -2.768 3.632 4.101 1.00 0.00 C ATOM 427 O VAL A 27 -2.451 2.475 3.814 1.00 0.00 O ATOM 428 CB VAL A 27 -1.530 5.698 3.468 1.00 0.00 C ATOM 429 CG1 VAL A 27 -0.203 4.932 3.434 1.00 0.00 C ATOM 430 CG2 VAL A 27 -1.477 6.869 2.482 1.00 0.00 C ATOM 0 H VAL A 27 -3.866 6.451 3.185 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.429 4.310 2.096 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.708 6.088 4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.611 5.601 3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.246 4.099 4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.029 4.551 2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.674 7.548 2.767 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.293 6.490 1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.427 7.403 2.500 1.00 0.00 H new ATOM 440 N LYS A 28 -3.257 3.991 5.285 1.00 0.00 N ATOM 441 CA LYS A 28 -3.438 3.024 6.355 1.00 0.00 C ATOM 442 C LYS A 28 -4.339 1.897 5.880 1.00 0.00 C ATOM 443 O LYS A 28 -4.139 0.753 6.249 1.00 0.00 O ATOM 444 CB LYS A 28 -4.045 3.690 7.593 1.00 0.00 C ATOM 445 CG LYS A 28 -4.043 2.684 8.745 1.00 0.00 C ATOM 446 CD LYS A 28 -4.692 3.293 9.987 1.00 0.00 C ATOM 447 CE LYS A 28 -4.556 2.306 11.146 1.00 0.00 C ATOM 448 NZ LYS A 28 -5.483 1.158 10.933 1.00 0.00 N ATOM 0 H LYS A 28 -3.533 4.943 5.524 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.463 2.620 6.626 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.471 4.576 7.865 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.062 4.021 7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.582 1.783 8.450 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.020 2.384 8.972 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.212 4.239 10.238 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.743 3.509 9.796 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.528 1.949 11.215 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.785 2.802 12.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.757 0.758 11.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.333 1.486 10.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.007 0.428 10.366 1.00 0.00 H new ATOM 462 N ALA A 29 -5.325 2.240 5.052 1.00 0.00 N ATOM 463 CA ALA A 29 -6.259 1.259 4.522 1.00 0.00 C ATOM 464 C ALA A 29 -5.535 0.239 3.659 1.00 0.00 C ATOM 465 O ALA A 29 -5.834 -0.956 3.716 1.00 0.00 O ATOM 466 CB ALA A 29 -7.322 1.961 3.676 1.00 0.00 C ATOM 0 H ALA A 29 -5.494 3.195 4.735 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.729 0.746 5.361 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.019 1.222 3.281 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.864 2.677 4.294 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.842 2.485 2.849 1.00 0.00 H new ATOM 472 N PHE A 30 -4.584 0.715 2.856 1.00 0.00 N ATOM 473 CA PHE A 30 -3.840 -0.157 1.997 1.00 0.00 C ATOM 474 C PHE A 30 -2.868 -0.964 2.825 1.00 0.00 C ATOM 475 O PHE A 30 -2.715 -2.160 2.634 1.00 0.00 O ATOM 476 CB PHE A 30 -3.164 0.674 0.914 1.00 0.00 C ATOM 477 CG PHE A 30 -4.252 1.363 0.113 1.00 0.00 C ATOM 478 CD1 PHE A 30 -5.324 0.610 -0.387 1.00 0.00 C ATOM 479 CD2 PHE A 30 -4.222 2.749 -0.096 1.00 0.00 C ATOM 480 CE1 PHE A 30 -6.349 1.234 -1.084 1.00 0.00 C ATOM 481 CE2 PHE A 30 -5.250 3.366 -0.801 1.00 0.00 C ATOM 482 CZ PHE A 30 -6.312 2.606 -1.293 1.00 0.00 C ATOM 0 H PHE A 30 -4.323 1.699 2.794 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.493 -0.870 1.494 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.493 1.409 1.359 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.558 0.039 0.268 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.352 -0.458 -0.229 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.402 3.337 0.290 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.176 0.652 -1.464 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.226 4.433 -0.968 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.109 3.088 -1.839 1.00 0.00 H new ATOM 492 N ILE A 31 -2.265 -0.309 3.795 1.00 0.00 N ATOM 493 CA ILE A 31 -1.368 -0.989 4.703 1.00 0.00 C ATOM 494 C ILE A 31 -2.176 -1.962 5.561 1.00 0.00 C ATOM 495 O ILE A 31 -1.706 -3.050 5.898 1.00 0.00 O ATOM 496 CB ILE A 31 -0.587 0.042 5.506 1.00 0.00 C ATOM 497 CG1 ILE A 31 0.347 0.750 4.519 1.00 0.00 C ATOM 498 CG2 ILE A 31 0.248 -0.629 6.605 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.456 2.216 4.864 1.00 0.00 C ATOM 0 H ILE A 31 -2.379 0.689 3.974 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.628 -1.583 4.167 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.271 0.738 5.992 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.334 0.288 4.546 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.031 0.635 3.503 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.795 0.132 7.162 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.411 -1.171 7.283 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.954 -1.325 6.152 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.122 2.708 4.155 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.531 2.676 4.813 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.855 2.324 5.872 1.00 0.00 H new ATOM 511 N ASP A 32 -3.422 -1.579 5.865 1.00 0.00 N ATOM 512 CA ASP A 32 -4.309 -2.463 6.627 1.00 0.00 C ATOM 513 C ASP A 32 -4.577 -3.720 5.801 1.00 0.00 C ATOM 514 O ASP A 32 -4.708 -4.812 6.340 1.00 0.00 O ATOM 515 CB ASP A 32 -5.644 -1.773 6.972 1.00 0.00 C ATOM 516 CG ASP A 32 -5.480 -0.727 8.086 1.00 0.00 C ATOM 517 OD1 ASP A 32 -4.489 -0.773 8.803 1.00 0.00 O ATOM 518 OD2 ASP A 32 -6.359 0.110 8.205 1.00 0.00 O ATOM 0 H ASP A 32 -3.831 -0.683 5.601 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.819 -2.719 7.567 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.045 -1.292 6.080 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.370 -2.524 7.284 1.00 0.00 H new ATOM 523 N SER A 33 -4.648 -3.545 4.479 1.00 0.00 N ATOM 524 CA SER A 33 -4.874 -4.664 3.566 1.00 0.00 C ATOM 525 C SER A 33 -3.572 -5.477 3.387 1.00 0.00 C ATOM 526 O SER A 33 -3.606 -6.668 3.081 1.00 0.00 O ATOM 527 CB SER A 33 -5.393 -4.136 2.222 1.00 0.00 C ATOM 528 OG SER A 33 -4.332 -3.567 1.486 1.00 0.00 O ATOM 0 H SER A 33 -4.552 -2.640 4.019 1.00 0.00 H new ATOM 0 HA SER A 33 -5.627 -5.331 3.986 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.847 -4.948 1.654 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.171 -3.391 2.390 1.00 0.00 H new ATOM 0 HG SER A 33 -3.836 -2.943 2.056 1.00 0.00 H new ATOM 534 N LEU A 34 -2.429 -4.800 3.576 1.00 0.00 N ATOM 535 CA LEU A 34 -1.096 -5.421 3.440 1.00 0.00 C ATOM 536 C LEU A 34 -0.928 -6.619 4.381 1.00 0.00 C ATOM 537 O LEU A 34 -0.526 -7.700 3.960 1.00 0.00 O ATOM 538 CB LEU A 34 -0.011 -4.384 3.813 1.00 0.00 C ATOM 539 CG LEU A 34 0.943 -4.082 2.660 1.00 0.00 C ATOM 540 CD1 LEU A 34 1.396 -5.374 1.975 1.00 0.00 C ATOM 541 CD2 LEU A 34 0.224 -3.153 1.683 1.00 0.00 C ATOM 0 H LEU A 34 -2.399 -3.812 3.826 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.996 -5.758 2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.493 -3.459 4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.561 -4.754 4.664 1.00 0.00 H new ATOM 0 HG LEU A 34 1.843 -3.594 3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.075 -5.133 1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.909 -6.008 2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.527 -5.901 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.885 -2.921 0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.675 -3.643 1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.052 -2.231 2.194 1.00 0.00 H new ATOM 553 N ARG A 35 -1.227 -6.400 5.658 1.00 0.00 N ATOM 554 CA ARG A 35 -1.106 -7.452 6.676 1.00 0.00 C ATOM 555 C ARG A 35 -2.079 -8.581 6.372 1.00 0.00 C ATOM 556 O ARG A 35 -1.782 -9.755 6.599 1.00 0.00 O ATOM 557 CB ARG A 35 -1.373 -6.854 8.064 1.00 0.00 C ATOM 558 CG ARG A 35 -2.785 -6.269 8.098 1.00 0.00 C ATOM 559 CD ARG A 35 -2.891 -5.176 9.165 1.00 0.00 C ATOM 560 NE ARG A 35 -4.253 -4.640 9.202 1.00 0.00 N ATOM 561 CZ ARG A 35 -5.315 -5.432 9.333 1.00 0.00 C ATOM 562 NH1 ARG A 35 -5.320 -6.382 10.226 1.00 0.00 N ATOM 563 NH2 ARG A 35 -6.350 -5.260 8.563 1.00 0.00 N ATOM 0 H ARG A 35 -1.556 -5.504 6.018 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.096 -7.862 6.663 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.266 -7.622 8.830 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.640 -6.078 8.286 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.037 -5.856 7.121 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.507 -7.059 8.306 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.625 -5.582 10.141 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.183 -4.376 8.949 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.392 -3.632 9.125 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.508 -6.521 10.828 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.136 -6.986 10.323 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.346 -4.520 7.861 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.165 -5.865 8.661 1.00 0.00 H new ATOM 577 N ASP A 36 -3.231 -8.203 5.827 1.00 0.00 N ATOM 578 CA ASP A 36 -4.254 -9.164 5.449 1.00 0.00 C ATOM 579 C ASP A 36 -3.742 -10.036 4.304 1.00 0.00 C ATOM 580 O ASP A 36 -4.147 -11.191 4.156 1.00 0.00 O ATOM 581 CB ASP A 36 -5.529 -8.417 5.030 1.00 0.00 C ATOM 582 CG ASP A 36 -6.103 -7.593 6.195 1.00 0.00 C ATOM 583 OD1 ASP A 36 -5.825 -7.915 7.342 1.00 0.00 O ATOM 584 OD2 ASP A 36 -6.818 -6.644 5.919 1.00 0.00 O ATOM 0 H ASP A 36 -3.478 -7.232 5.638 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.487 -9.806 6.298 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.308 -7.758 4.190 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.276 -9.133 4.685 1.00 0.00 H new ATOM 589 N ASP A 37 -2.831 -9.464 3.515 1.00 0.00 N ATOM 590 CA ASP A 37 -2.224 -10.164 2.389 1.00 0.00 C ATOM 591 C ASP A 37 -1.008 -9.395 1.872 1.00 0.00 C ATOM 592 O ASP A 37 -1.147 -8.377 1.188 1.00 0.00 O ATOM 593 CB ASP A 37 -3.235 -10.360 1.253 1.00 0.00 C ATOM 594 CG ASP A 37 -2.761 -11.471 0.310 1.00 0.00 C ATOM 595 OD1 ASP A 37 -1.616 -11.419 -0.118 1.00 0.00 O ATOM 596 OD2 ASP A 37 -3.550 -12.354 0.024 1.00 0.00 O ATOM 0 H ASP A 37 -2.497 -8.508 3.640 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.903 -11.144 2.741 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.211 -10.614 1.665 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.356 -9.429 0.699 1.00 0.00 H new ATOM 601 N PRO A 38 0.175 -9.867 2.184 1.00 0.00 N ATOM 602 CA PRO A 38 1.444 -9.227 1.744 1.00 0.00 C ATOM 603 C PRO A 38 1.717 -9.402 0.253 1.00 0.00 C ATOM 604 O PRO A 38 2.386 -8.568 -0.360 1.00 0.00 O ATOM 605 CB PRO A 38 2.525 -9.897 2.600 1.00 0.00 C ATOM 606 CG PRO A 38 1.832 -10.836 3.533 1.00 0.00 C ATOM 607 CD PRO A 38 0.438 -11.071 2.987 1.00 0.00 C ATOM 0 HA PRO A 38 1.410 -8.146 1.879 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.235 -10.434 1.971 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.092 -9.151 3.156 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.379 -11.776 3.607 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.785 -10.414 4.537 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.392 -11.976 2.381 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.292 -11.187 3.788 1.00 0.00 H new ATOM 615 N SER A 39 1.183 -10.477 -0.327 1.00 0.00 N ATOM 616 CA SER A 39 1.363 -10.736 -1.753 1.00 0.00 C ATOM 617 C SER A 39 0.604 -9.690 -2.560 1.00 0.00 C ATOM 618 O SER A 39 0.971 -9.369 -3.692 1.00 0.00 O ATOM 619 CB SER A 39 0.856 -12.136 -2.108 1.00 0.00 C ATOM 620 OG SER A 39 1.304 -12.481 -3.414 1.00 0.00 O ATOM 0 H SER A 39 0.627 -11.176 0.165 1.00 0.00 H new ATOM 0 HA SER A 39 2.425 -10.679 -1.992 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.221 -12.862 -1.382 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.233 -12.163 -2.066 1.00 0.00 H new ATOM 0 HG SER A 39 0.982 -13.378 -3.644 1.00 0.00 H new ATOM 626 N GLN A 40 -0.463 -9.173 -1.953 1.00 0.00 N ATOM 627 CA GLN A 40 -1.303 -8.169 -2.587 1.00 0.00 C ATOM 628 C GLN A 40 -0.675 -6.796 -2.573 1.00 0.00 C ATOM 629 O GLN A 40 -1.208 -5.904 -3.203 1.00 0.00 O ATOM 630 CB GLN A 40 -2.658 -8.074 -1.874 1.00 0.00 C ATOM 631 CG GLN A 40 -3.479 -9.341 -2.105 1.00 0.00 C ATOM 632 CD GLN A 40 -3.906 -9.444 -3.567 1.00 0.00 C ATOM 633 OE1 GLN A 40 -4.550 -8.537 -4.096 1.00 0.00 O ATOM 634 NE2 GLN A 40 -3.579 -10.501 -4.258 1.00 0.00 N ATOM 0 H GLN A 40 -0.764 -9.438 -1.015 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.428 -8.488 -3.622 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.503 -7.925 -0.805 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.207 -7.207 -2.240 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.892 -10.217 -1.829 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.360 -9.333 -1.463 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.046 -11.252 -3.820 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.857 -10.577 -5.237 1.00 0.00 H new ATOM 643 N SER A 41 0.431 -6.620 -1.854 1.00 0.00 N ATOM 644 CA SER A 41 1.058 -5.310 -1.733 1.00 0.00 C ATOM 645 C SER A 41 1.025 -4.520 -3.033 1.00 0.00 C ATOM 646 O SER A 41 0.693 -3.344 -3.012 1.00 0.00 O ATOM 647 CB SER A 41 2.519 -5.496 -1.317 1.00 0.00 C ATOM 648 OG SER A 41 3.126 -6.473 -2.155 1.00 0.00 O ATOM 0 H SER A 41 0.909 -7.366 -1.349 1.00 0.00 H new ATOM 0 HA SER A 41 0.495 -4.749 -0.987 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.055 -4.550 -1.395 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.575 -5.809 -0.274 1.00 0.00 H new ATOM 0 HG SER A 41 3.004 -7.362 -1.762 1.00 0.00 H new ATOM 654 N ALA A 42 1.320 -5.168 -4.148 1.00 0.00 N ATOM 655 CA ALA A 42 1.294 -4.496 -5.435 1.00 0.00 C ATOM 656 C ALA A 42 -0.123 -4.046 -5.789 1.00 0.00 C ATOM 657 O ALA A 42 -0.323 -2.985 -6.376 1.00 0.00 O ATOM 658 CB ALA A 42 1.816 -5.444 -6.503 1.00 0.00 C ATOM 0 H ALA A 42 1.579 -6.154 -4.187 1.00 0.00 H new ATOM 0 HA ALA A 42 1.927 -3.610 -5.382 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.799 -4.945 -7.472 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.839 -5.735 -6.263 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.185 -6.332 -6.541 1.00 0.00 H new ATOM 664 N ASN A 43 -1.097 -4.866 -5.410 1.00 0.00 N ATOM 665 CA ASN A 43 -2.495 -4.575 -5.647 1.00 0.00 C ATOM 666 C ASN A 43 -2.950 -3.441 -4.737 1.00 0.00 C ATOM 667 O ASN A 43 -3.701 -2.568 -5.132 1.00 0.00 O ATOM 668 CB ASN A 43 -3.332 -5.824 -5.386 1.00 0.00 C ATOM 669 CG ASN A 43 -4.707 -5.714 -6.044 1.00 0.00 C ATOM 670 OD1 ASN A 43 -5.149 -4.626 -6.418 1.00 0.00 O ATOM 671 ND2 ASN A 43 -5.411 -6.794 -6.209 1.00 0.00 N ATOM 0 H ASN A 43 -0.933 -5.751 -4.930 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.627 -4.269 -6.685 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.811 -6.701 -5.770 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.450 -5.968 -4.312 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.330 -6.742 -6.648 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.044 -7.694 -5.899 1.00 0.00 H new ATOM 678 N LEU A 44 -2.449 -3.478 -3.512 1.00 0.00 N ATOM 679 CA LEU A 44 -2.738 -2.480 -2.500 1.00 0.00 C ATOM 680 C LEU A 44 -2.142 -1.197 -2.985 1.00 0.00 C ATOM 681 O LEU A 44 -2.738 -0.131 -2.884 1.00 0.00 O ATOM 682 CB LEU A 44 -2.144 -2.968 -1.171 1.00 0.00 C ATOM 683 CG LEU A 44 -2.619 -4.415 -0.984 1.00 0.00 C ATOM 684 CD1 LEU A 44 -2.171 -5.017 0.329 1.00 0.00 C ATOM 685 CD2 LEU A 44 -4.126 -4.463 -1.098 1.00 0.00 C ATOM 0 H LEU A 44 -1.821 -4.214 -3.190 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.803 -2.320 -2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.055 -2.917 -1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.477 -2.341 -0.344 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.161 -5.016 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.537 -6.041 0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.082 -5.017 0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.570 -4.428 1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.468 -5.489 -0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.569 -3.831 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.428 -4.104 -2.082 1.00 0.00 H new ATOM 697 N LEU A 45 -0.990 -1.365 -3.608 1.00 0.00 N ATOM 698 CA LEU A 45 -0.294 -0.282 -4.249 1.00 0.00 C ATOM 699 C LEU A 45 -1.175 0.241 -5.363 1.00 0.00 C ATOM 700 O LEU A 45 -1.323 1.434 -5.561 1.00 0.00 O ATOM 701 CB LEU A 45 0.963 -0.828 -4.926 1.00 0.00 C ATOM 702 CG LEU A 45 2.238 -0.339 -4.295 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.179 1.178 -4.059 1.00 0.00 C ATOM 704 CD2 LEU A 45 2.397 -1.157 -3.022 1.00 0.00 C ATOM 0 H LEU A 45 -0.514 -2.264 -3.680 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.050 0.485 -3.514 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.943 -1.917 -4.891 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.954 -0.543 -5.978 1.00 0.00 H new ATOM 0 HG LEU A 45 3.111 -0.478 -4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.111 1.512 -3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.039 1.689 -5.011 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.346 1.411 -3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.309 -0.855 -2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.539 -0.988 -2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.457 -2.216 -3.275 1.00 0.00 H new ATOM 716 N ALA A 46 -1.736 -0.724 -6.091 1.00 0.00 N ATOM 717 CA ALA A 46 -2.598 -0.457 -7.231 1.00 0.00 C ATOM 718 C ALA A 46 -3.817 0.305 -6.782 1.00 0.00 C ATOM 719 O ALA A 46 -4.200 1.319 -7.368 1.00 0.00 O ATOM 720 CB ALA A 46 -3.050 -1.783 -7.841 1.00 0.00 C ATOM 0 H ALA A 46 -1.601 -1.717 -5.901 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.047 0.130 -7.966 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.697 -1.588 -8.696 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.178 -2.350 -8.167 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.598 -2.358 -7.095 1.00 0.00 H new ATOM 726 N GLU A 47 -4.388 -0.193 -5.704 1.00 0.00 N ATOM 727 CA GLU A 47 -5.533 0.405 -5.097 1.00 0.00 C ATOM 728 C GLU A 47 -5.151 1.777 -4.593 1.00 0.00 C ATOM 729 O GLU A 47 -5.949 2.711 -4.599 1.00 0.00 O ATOM 730 CB GLU A 47 -5.947 -0.476 -3.943 1.00 0.00 C ATOM 731 CG GLU A 47 -6.644 -1.757 -4.438 1.00 0.00 C ATOM 732 CD GLU A 47 -7.798 -1.425 -5.390 1.00 0.00 C ATOM 733 OE1 GLU A 47 -8.659 -0.647 -5.008 1.00 0.00 O ATOM 734 OE2 GLU A 47 -7.798 -1.951 -6.491 1.00 0.00 O ATOM 0 H GLU A 47 -4.058 -1.033 -5.229 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.355 0.504 -5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.070 -0.742 -3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.619 0.075 -3.285 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.921 -2.395 -4.947 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.023 -2.321 -3.586 1.00 0.00 H new ATOM 741 N ALA A 48 -3.900 1.870 -4.178 1.00 0.00 N ATOM 742 CA ALA A 48 -3.350 3.109 -3.687 1.00 0.00 C ATOM 743 C ALA A 48 -3.227 4.092 -4.828 1.00 0.00 C ATOM 744 O ALA A 48 -3.608 5.252 -4.700 1.00 0.00 O ATOM 745 CB ALA A 48 -1.970 2.865 -3.092 1.00 0.00 C ATOM 0 H ALA A 48 -3.244 1.089 -4.174 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.011 3.511 -2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.561 3.806 -2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.049 2.156 -2.268 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.310 2.458 -3.858 1.00 0.00 H new ATOM 751 N LYS A 49 -2.716 3.600 -5.959 1.00 0.00 N ATOM 752 CA LYS A 49 -2.569 4.430 -7.145 1.00 0.00 C ATOM 753 C LYS A 49 -3.949 4.898 -7.549 1.00 0.00 C ATOM 754 O LYS A 49 -4.142 6.027 -7.994 1.00 0.00 O ATOM 755 CB LYS A 49 -1.978 3.625 -8.311 1.00 0.00 C ATOM 756 CG LYS A 49 -0.599 3.019 -7.977 1.00 0.00 C ATOM 757 CD LYS A 49 0.197 3.914 -7.026 1.00 0.00 C ATOM 758 CE LYS A 49 1.595 3.325 -6.812 1.00 0.00 C ATOM 759 NZ LYS A 49 2.228 3.959 -5.619 1.00 0.00 N ATOM 0 H LYS A 49 -2.400 2.637 -6.073 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.902 5.263 -6.921 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.667 2.824 -8.580 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.885 4.272 -9.183 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.733 2.036 -7.525 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.034 2.872 -8.897 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.275 4.920 -7.438 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.322 4.000 -6.071 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.528 2.246 -6.671 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.211 3.493 -7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.964 3.329 -5.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.656 4.866 -5.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.505 4.125 -4.890 1.00 0.00 H new ATOM 773 N LYS A 50 -4.905 3.992 -7.361 1.00 0.00 N ATOM 774 CA LYS A 50 -6.294 4.262 -7.676 1.00 0.00 C ATOM 775 C LYS A 50 -6.865 5.297 -6.723 1.00 0.00 C ATOM 776 O LYS A 50 -7.583 6.204 -7.145 1.00 0.00 O ATOM 777 CB LYS A 50 -7.105 2.963 -7.615 1.00 0.00 C ATOM 778 CG LYS A 50 -6.876 2.147 -8.892 1.00 0.00 C ATOM 779 CD LYS A 50 -7.253 0.683 -8.636 1.00 0.00 C ATOM 780 CE LYS A 50 -8.736 0.570 -8.258 1.00 0.00 C ATOM 781 NZ LYS A 50 -9.577 1.221 -9.303 1.00 0.00 N ATOM 0 H LYS A 50 -4.735 3.058 -6.988 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.355 4.665 -8.687 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.810 2.380 -6.742 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.165 3.190 -7.503 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.476 2.551 -9.707 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.832 2.217 -9.199 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.052 0.088 -9.527 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.635 0.277 -7.835 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.015 -0.479 -8.155 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.911 1.043 -7.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.562 0.902 -9.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.534 2.254 -9.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.222 0.962 -10.246 1.00 0.00 H new ATOM 795 N LEU A 51 -6.524 5.171 -5.444 1.00 0.00 N ATOM 796 CA LEU A 51 -6.999 6.129 -4.447 1.00 0.00 C ATOM 797 C LEU A 51 -6.306 7.465 -4.658 1.00 0.00 C ATOM 798 O LEU A 51 -6.939 8.518 -4.618 1.00 0.00 O ATOM 799 CB LEU A 51 -6.777 5.606 -3.019 1.00 0.00 C ATOM 800 CG LEU A 51 -8.138 5.224 -2.392 1.00 0.00 C ATOM 801 CD1 LEU A 51 -9.081 6.441 -2.365 1.00 0.00 C ATOM 802 CD2 LEU A 51 -8.784 4.092 -3.212 1.00 0.00 C ATOM 0 H LEU A 51 -5.930 4.428 -5.076 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.073 6.264 -4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.117 4.739 -3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.287 6.368 -2.413 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.969 4.888 -1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.034 6.153 -1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.630 7.238 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.247 6.795 -3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.743 3.824 -2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.939 4.428 -4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.128 3.222 -3.211 1.00 0.00 H new ATOM 814 N ASN A 52 -5.006 7.398 -4.927 1.00 0.00 N ATOM 815 CA ASN A 52 -4.222 8.592 -5.206 1.00 0.00 C ATOM 816 C ASN A 52 -4.804 9.288 -6.419 1.00 0.00 C ATOM 817 O ASN A 52 -4.998 10.497 -6.419 1.00 0.00 O ATOM 818 CB ASN A 52 -2.787 8.185 -5.495 1.00 0.00 C ATOM 819 CG ASN A 52 -1.932 9.387 -5.876 1.00 0.00 C ATOM 820 OD1 ASN A 52 -1.423 10.083 -5.007 1.00 0.00 O ATOM 821 ND2 ASN A 52 -1.743 9.669 -7.134 1.00 0.00 N ATOM 0 H ASN A 52 -4.475 6.528 -4.957 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.245 9.266 -4.350 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.362 7.698 -4.617 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.771 7.454 -6.304 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.170 10.471 -7.396 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.168 9.088 -7.856 1.00 0.00 H new ATOM 828 N ASP A 53 -5.100 8.485 -7.443 1.00 0.00 N ATOM 829 CA ASP A 53 -5.694 8.995 -8.667 1.00 0.00 C ATOM 830 C ASP A 53 -7.029 9.640 -8.343 1.00 0.00 C ATOM 831 O ASP A 53 -7.375 10.698 -8.869 1.00 0.00 O ATOM 832 CB ASP A 53 -5.888 7.859 -9.679 1.00 0.00 C ATOM 833 CG ASP A 53 -6.511 8.404 -10.965 1.00 0.00 C ATOM 834 OD1 ASP A 53 -5.777 8.949 -11.772 1.00 0.00 O ATOM 835 OD2 ASP A 53 -7.715 8.283 -11.114 1.00 0.00 O ATOM 0 H ASP A 53 -4.935 7.478 -7.443 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.029 9.737 -9.108 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.929 7.390 -9.900 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.529 7.087 -9.253 1.00 0.00 H new ATOM 840 N ALA A 54 -7.752 8.991 -7.444 1.00 0.00 N ATOM 841 CA ALA A 54 -9.041 9.482 -6.996 1.00 0.00 C ATOM 842 C ALA A 54 -8.860 10.810 -6.274 1.00 0.00 C ATOM 843 O ALA A 54 -9.709 11.698 -6.368 1.00 0.00 O ATOM 844 CB ALA A 54 -9.694 8.465 -6.057 1.00 0.00 C ATOM 0 H ALA A 54 -7.463 8.115 -7.008 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.687 9.627 -7.862 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.661 8.844 -5.727 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.835 7.521 -6.584 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.052 8.305 -5.191 1.00 0.00 H new ATOM 850 N GLN A 55 -7.731 10.938 -5.565 1.00 0.00 N ATOM 851 CA GLN A 55 -7.428 12.167 -4.839 1.00 0.00 C ATOM 852 C GLN A 55 -6.581 13.110 -5.698 1.00 0.00 C ATOM 853 O GLN A 55 -6.228 14.210 -5.267 1.00 0.00 O ATOM 854 CB GLN A 55 -6.729 11.833 -3.513 1.00 0.00 C ATOM 855 CG GLN A 55 -7.805 11.648 -2.434 1.00 0.00 C ATOM 856 CD GLN A 55 -7.180 11.641 -1.046 1.00 0.00 C ATOM 857 OE1 GLN A 55 -7.355 12.583 -0.276 1.00 0.00 O ATOM 858 NE2 GLN A 55 -6.455 10.631 -0.683 1.00 0.00 N ATOM 0 H GLN A 55 -7.021 10.210 -5.482 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.360 12.684 -4.612 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.134 10.925 -3.615 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.044 12.633 -3.233 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.539 12.451 -2.504 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.339 10.713 -2.602 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.311 9.850 -1.323 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.028 10.616 0.243 1.00 0.00 H new ATOM 867 N ALA A 56 -6.278 12.670 -6.922 1.00 0.00 N ATOM 868 CA ALA A 56 -5.492 13.471 -7.857 1.00 0.00 C ATOM 869 C ALA A 56 -6.396 14.400 -8.653 1.00 0.00 C ATOM 870 O ALA A 56 -7.491 14.008 -9.064 1.00 0.00 O ATOM 871 CB ALA A 56 -4.725 12.565 -8.824 1.00 0.00 C ATOM 0 H ALA A 56 -6.567 11.762 -7.287 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.784 14.065 -7.279 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.145 13.178 -9.514 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.053 11.917 -8.261 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.430 11.954 -9.387 1.00 0.00 H new ATOM 877 N PRO A 57 -5.955 15.617 -8.872 1.00 0.00 N ATOM 878 CA PRO A 57 -6.729 16.631 -9.633 1.00 0.00 C ATOM 879 C PRO A 57 -7.188 16.112 -10.993 1.00 0.00 C ATOM 880 O PRO A 57 -6.481 15.343 -11.652 1.00 0.00 O ATOM 881 CB PRO A 57 -5.765 17.800 -9.831 1.00 0.00 C ATOM 882 CG PRO A 57 -4.462 17.414 -9.227 1.00 0.00 C ATOM 883 CD PRO A 57 -4.672 16.157 -8.400 1.00 0.00 C ATOM 0 HA PRO A 57 -7.635 16.905 -9.092 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.645 18.022 -10.891 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.154 18.702 -9.358 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.720 17.236 -10.006 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.080 18.221 -8.601 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.862 15.443 -8.550 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.705 16.384 -7.334 1.00 0.00 H new ATOM 891 N LYS A 58 -8.369 16.555 -11.391 1.00 0.00 N ATOM 892 CA LYS A 58 -8.969 16.169 -12.669 1.00 0.00 C ATOM 893 C LYS A 58 -9.828 17.310 -13.222 1.00 0.00 C ATOM 894 O LYS A 58 -10.575 17.894 -12.452 1.00 0.00 O ATOM 895 CB LYS A 58 -9.835 14.917 -12.485 1.00 0.00 C ATOM 896 CG LYS A 58 -8.938 13.689 -12.285 1.00 0.00 C ATOM 897 CD LYS A 58 -9.808 12.447 -12.069 1.00 0.00 C ATOM 898 CE LYS A 58 -8.934 11.183 -12.012 1.00 0.00 C ATOM 899 NZ LYS A 58 -7.627 11.484 -11.359 1.00 0.00 N ATOM 900 OXT LYS A 58 -9.728 17.581 -14.408 1.00 0.00 O ATOM 0 H LYS A 58 -8.944 17.193 -10.841 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.168 15.954 -13.376 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.493 15.042 -11.625 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.474 14.774 -13.357 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.296 13.549 -13.155 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.283 13.840 -11.427 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.373 12.548 -11.143 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.534 12.359 -12.877 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.452 10.399 -11.459 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.765 10.804 -13.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.868 11.448 -12.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.661 12.434 -10.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.440 10.781 -10.616 1.00 0.00 H new TER 914 LYS A 58