USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 265 hydrogens (11 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 NoAdj-H: A 37 TYC H0 : A 37 TYC N : A 36 THR C :(H bumps) USER MOD NoAdj-H: A 37 TYC H : A 37 TYC N : A 36 THR C :(H bumps) USER MOD Set 1.1: A 9 THR OG1 : rot -118:sc= 1.29 USER MOD Set 1.2: A 10 GLN : amide:sc= 0.226 K(o=1.5,f=0.84) USER MOD Single : A 1 LYS N :NH3+ -115:sc= 0.122 (180deg=-0.0198) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.215 X(o=-0.21,f=-0.14) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN :FLIP amide:sc= -0.622 F(o=-1.9!,f=-0.62) USER MOD Single : A 18 HIS :FLIP no HD1:sc= -0.426 F(o=-1.9!,f=-0.43) USER MOD Single : A 19 SER OG : rot -129:sc=-0.00677 USER MOD Single : A 20 SER OG : rot 180:sc= 0.187 USER MOD Single : A 21 ASN : amide:sc= 0.588 K(o=0.59,f=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 65:sc= 1.12 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.741 USER MOD Single : A 31 ASN : amide:sc=-0.00732 X(o=-0.0073,f=-0.0073) USER MOD Single : A 34 SER OG : rot -160:sc= -0.461 USER MOD Single : A 35 ASN : amide:sc= -0.657 K(o=-0.66,f=-3.9!) USER MOD Single : A 36 THR OG1 : rot 51:sc= 0.284 USER MOD Single : A 37 TYC OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 9.246 4.798 8.754 1.00 0.00 N ATOM 2 CA LYS A 1 9.075 5.122 7.342 1.00 0.00 C ATOM 3 C LYS A 1 10.257 5.918 6.839 1.00 0.00 C ATOM 4 O LYS A 1 11.101 6.360 7.629 1.00 0.00 O ATOM 5 CB LYS A 1 7.779 5.898 7.110 1.00 0.00 C ATOM 6 CG LYS A 1 6.527 5.085 7.344 1.00 0.00 C ATOM 7 CD LYS A 1 5.284 5.881 7.028 1.00 0.00 C ATOM 8 CE LYS A 1 4.038 5.061 7.282 1.00 0.00 C ATOM 9 NZ LYS A 1 2.813 5.822 7.006 1.00 0.00 N ATOM 0 H1 LYS A 1 9.336 3.768 8.865 1.00 0.00 H new ATOM 0 H2 LYS A 1 10.104 5.262 9.115 1.00 0.00 H new ATOM 0 H3 LYS A 1 8.420 5.133 9.290 1.00 0.00 H new ATOM 0 HA LYS A 1 9.016 4.187 6.786 1.00 0.00 H new ATOM 0 HB2 LYS A 1 7.765 6.767 7.768 1.00 0.00 H new ATOM 0 HB3 LYS A 1 7.770 6.274 6.087 1.00 0.00 H new ATOM 0 HG2 LYS A 1 6.553 4.188 6.725 1.00 0.00 H new ATOM 0 HG3 LYS A 1 6.495 4.755 8.382 1.00 0.00 H new ATOM 0 HD2 LYS A 1 5.261 6.784 7.638 1.00 0.00 H new ATOM 0 HD3 LYS A 1 5.307 6.201 5.986 1.00 0.00 H new ATOM 0 HE2 LYS A 1 4.058 4.168 6.658 1.00 0.00 H new ATOM 0 HE3 LYS A 1 4.030 4.725 8.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 1.983 5.224 7.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 2.780 6.661 7.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 2.807 6.121 6.010 1.00 0.00 H new ATOM 25 N CYS A 2 10.325 6.091 5.544 1.00 0.00 N ATOM 26 CA CYS A 2 11.367 6.848 4.903 1.00 0.00 C ATOM 27 C CYS A 2 10.804 7.517 3.663 1.00 0.00 C ATOM 28 O CYS A 2 9.686 7.191 3.230 1.00 0.00 O ATOM 29 CB CYS A 2 12.591 5.972 4.623 1.00 0.00 C ATOM 30 SG CYS A 2 12.228 4.368 3.861 1.00 0.00 S ATOM 0 H CYS A 2 9.643 5.701 4.893 1.00 0.00 H new ATOM 0 HA CYS A 2 11.722 7.636 5.568 1.00 0.00 H new ATOM 0 HB2 CYS A 2 13.271 6.521 3.971 1.00 0.00 H new ATOM 0 HB3 CYS A 2 13.118 5.800 5.561 1.00 0.00 H new ATOM 35 N ASN A 3 11.536 8.434 3.083 1.00 0.00 N ATOM 36 CA ASN A 3 10.965 9.275 2.030 1.00 0.00 C ATOM 37 C ASN A 3 11.902 9.407 0.827 1.00 0.00 C ATOM 38 O ASN A 3 11.631 10.128 -0.106 1.00 0.00 O ATOM 39 CB ASN A 3 10.605 10.667 2.638 1.00 0.00 C ATOM 40 CG ASN A 3 9.806 11.595 1.711 1.00 0.00 C ATOM 41 OD1 ASN A 3 8.579 11.523 1.659 1.00 0.00 O ATOM 42 ND2 ASN A 3 10.472 12.492 1.024 1.00 0.00 N ATOM 0 H ASN A 3 12.512 8.625 3.308 1.00 0.00 H new ATOM 0 HA ASN A 3 10.059 8.802 1.651 1.00 0.00 H new ATOM 0 HB2 ASN A 3 10.032 10.510 3.552 1.00 0.00 H new ATOM 0 HB3 ASN A 3 11.528 11.171 2.924 1.00 0.00 H new ATOM 0 HD21 ASN A 3 9.973 13.152 0.428 1.00 0.00 H new ATOM 0 HD22 ASN A 3 11.489 12.529 1.086 1.00 0.00 H new ATOM 49 N THR A 4 12.963 8.663 0.809 1.00 0.00 N ATOM 50 CA THR A 4 13.873 8.778 -0.297 1.00 0.00 C ATOM 51 C THR A 4 13.620 7.647 -1.277 1.00 0.00 C ATOM 52 O THR A 4 13.136 6.573 -0.890 1.00 0.00 O ATOM 53 CB THR A 4 15.368 8.788 0.171 1.00 0.00 C ATOM 54 OG1 THR A 4 16.258 8.950 -0.948 1.00 0.00 O ATOM 55 CG2 THR A 4 15.724 7.516 0.919 1.00 0.00 C ATOM 0 H THR A 4 13.221 7.984 1.526 1.00 0.00 H new ATOM 0 HA THR A 4 13.693 9.733 -0.790 1.00 0.00 H new ATOM 0 HB THR A 4 15.485 9.635 0.847 1.00 0.00 H new ATOM 0 HG1 THR A 4 17.185 8.955 -0.631 1.00 0.00 H new ATOM 0 HG21 THR A 4 16.768 7.556 1.229 1.00 0.00 H new ATOM 0 HG22 THR A 4 15.088 7.421 1.799 1.00 0.00 H new ATOM 0 HG23 THR A 4 15.572 6.656 0.267 1.00 0.00 H new ATOM 63 N ALA A 5 13.973 7.879 -2.516 1.00 0.00 N ATOM 64 CA ALA A 5 13.786 6.955 -3.630 1.00 0.00 C ATOM 65 C ALA A 5 14.579 5.683 -3.443 1.00 0.00 C ATOM 66 O ALA A 5 14.360 4.699 -4.122 1.00 0.00 O ATOM 67 CB ALA A 5 14.156 7.614 -4.931 1.00 0.00 C ATOM 0 H ALA A 5 14.419 8.752 -2.799 1.00 0.00 H new ATOM 0 HA ALA A 5 12.730 6.686 -3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 5 14.010 6.910 -5.750 1.00 0.00 H new ATOM 0 HB2 ALA A 5 13.525 8.489 -5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 5 15.201 7.921 -4.899 1.00 0.00 H new ATOM 73 N THR A 6 15.541 5.728 -2.579 1.00 0.00 N ATOM 74 CA THR A 6 16.334 4.573 -2.290 1.00 0.00 C ATOM 75 C THR A 6 15.646 3.689 -1.219 1.00 0.00 C ATOM 76 O THR A 6 15.945 2.506 -1.084 1.00 0.00 O ATOM 77 CB THR A 6 17.720 5.033 -1.796 1.00 0.00 C ATOM 78 OG1 THR A 6 18.319 5.879 -2.793 1.00 0.00 O ATOM 79 CG2 THR A 6 18.629 3.854 -1.509 1.00 0.00 C ATOM 0 H THR A 6 15.800 6.563 -2.054 1.00 0.00 H new ATOM 0 HA THR A 6 16.445 3.975 -3.194 1.00 0.00 H new ATOM 0 HB THR A 6 17.588 5.584 -0.865 1.00 0.00 H new ATOM 0 HG1 THR A 6 19.200 6.176 -2.483 1.00 0.00 H new ATOM 0 HG21 THR A 6 19.597 4.217 -1.163 1.00 0.00 H new ATOM 0 HG22 THR A 6 18.180 3.227 -0.739 1.00 0.00 H new ATOM 0 HG23 THR A 6 18.765 3.269 -2.419 1.00 0.00 H new ATOM 87 N CYS A 7 14.664 4.237 -0.545 1.00 0.00 N ATOM 88 CA CYS A 7 14.122 3.584 0.627 1.00 0.00 C ATOM 89 C CYS A 7 12.638 3.390 0.545 1.00 0.00 C ATOM 90 O CYS A 7 12.138 2.303 0.770 1.00 0.00 O ATOM 91 CB CYS A 7 14.394 4.447 1.790 1.00 0.00 C ATOM 92 SG CYS A 7 14.067 3.674 3.400 1.00 0.00 S ATOM 0 H CYS A 7 14.225 5.126 -0.783 1.00 0.00 H new ATOM 0 HA CYS A 7 14.588 2.602 0.709 1.00 0.00 H new ATOM 0 HB2 CYS A 7 15.438 4.759 1.757 1.00 0.00 H new ATOM 0 HB3 CYS A 7 13.788 5.349 1.706 1.00 0.00 H new ATOM 97 N ALA A 8 11.920 4.449 0.211 1.00 0.00 N ATOM 98 CA ALA A 8 10.477 4.406 0.163 1.00 0.00 C ATOM 99 C ALA A 8 10.036 3.465 -0.918 1.00 0.00 C ATOM 100 O ALA A 8 8.980 2.869 -0.848 1.00 0.00 O ATOM 101 CB ALA A 8 9.927 5.782 -0.060 1.00 0.00 C ATOM 0 H ALA A 8 12.322 5.354 -0.032 1.00 0.00 H new ATOM 0 HA ALA A 8 10.092 4.041 1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.838 5.738 -0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.238 6.435 0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.304 6.176 -1.004 1.00 0.00 H new ATOM 107 N THR A 9 10.897 3.291 -1.880 1.00 0.00 N ATOM 108 CA THR A 9 10.649 2.366 -2.973 1.00 0.00 C ATOM 109 C THR A 9 10.663 0.929 -2.465 1.00 0.00 C ATOM 110 O THR A 9 9.947 0.058 -2.947 1.00 0.00 O ATOM 111 CB THR A 9 11.686 2.538 -4.050 1.00 0.00 C ATOM 112 OG1 THR A 9 12.975 2.602 -3.410 1.00 0.00 O ATOM 113 CG2 THR A 9 11.427 3.809 -4.845 1.00 0.00 C ATOM 0 H THR A 9 11.790 3.780 -1.938 1.00 0.00 H new ATOM 0 HA THR A 9 9.666 2.583 -3.391 1.00 0.00 H new ATOM 0 HB THR A 9 11.647 1.701 -4.747 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.391 3.469 -3.598 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.187 3.915 -5.619 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.442 3.754 -5.309 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.466 4.670 -4.178 1.00 0.00 H new ATOM 121 N GLN A 10 11.477 0.718 -1.469 1.00 0.00 N ATOM 122 CA GLN A 10 11.633 -0.562 -0.828 1.00 0.00 C ATOM 123 C GLN A 10 10.422 -0.786 0.019 1.00 0.00 C ATOM 124 O GLN A 10 9.905 -1.869 0.092 1.00 0.00 O ATOM 125 CB GLN A 10 12.883 -0.610 0.056 1.00 0.00 C ATOM 126 CG GLN A 10 14.145 -0.076 -0.591 1.00 0.00 C ATOM 127 CD GLN A 10 14.464 -0.688 -1.932 1.00 0.00 C ATOM 128 OE1 GLN A 10 14.144 -1.843 -2.214 1.00 0.00 O ATOM 129 NE2 GLN A 10 15.062 0.094 -2.774 1.00 0.00 N ATOM 0 H GLN A 10 12.066 1.448 -1.069 1.00 0.00 H new ATOM 0 HA GLN A 10 11.745 -1.334 -1.590 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.689 -0.040 0.965 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.057 -1.643 0.358 1.00 0.00 H new ATOM 0 HG2 GLN A 10 14.049 1.003 -0.711 1.00 0.00 H new ATOM 0 HG3 GLN A 10 14.985 -0.248 0.082 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.310 1.045 -2.500 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.285 -0.241 -3.711 1.00 0.00 H new ATOM 138 N ARG A 11 9.943 0.287 0.622 1.00 0.00 N ATOM 139 CA ARG A 11 8.733 0.236 1.438 1.00 0.00 C ATOM 140 C ARG A 11 7.562 -0.103 0.545 1.00 0.00 C ATOM 141 O ARG A 11 6.659 -0.817 0.939 1.00 0.00 O ATOM 142 CB ARG A 11 8.463 1.566 2.148 1.00 0.00 C ATOM 143 CG ARG A 11 9.625 2.098 2.970 1.00 0.00 C ATOM 144 CD ARG A 11 10.128 1.075 3.955 1.00 0.00 C ATOM 145 NE ARG A 11 9.072 0.577 4.844 1.00 0.00 N ATOM 146 CZ ARG A 11 8.903 -0.707 5.213 1.00 0.00 C ATOM 147 NH1 ARG A 11 9.768 -1.646 4.827 1.00 0.00 N ATOM 148 NH2 ARG A 11 7.873 -1.037 5.976 1.00 0.00 N ATOM 0 H ARG A 11 10.372 1.210 0.564 1.00 0.00 H new ATOM 0 HA ARG A 11 8.870 -0.525 2.207 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.193 2.312 1.401 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.600 1.444 2.802 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.437 2.392 2.304 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.311 2.994 3.505 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.564 0.237 3.411 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.924 1.515 4.555 1.00 0.00 H new ATOM 0 HE ARG A 11 8.411 1.260 5.213 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.568 -1.395 4.246 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.630 -2.615 5.113 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.214 -0.321 6.280 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.739 -2.008 6.259 1.00 0.00 H new ATOM 162 N LEU A 12 7.601 0.424 -0.662 1.00 0.00 N ATOM 163 CA LEU A 12 6.644 0.109 -1.689 1.00 0.00 C ATOM 164 C LEU A 12 6.746 -1.362 -2.041 1.00 0.00 C ATOM 165 O LEU A 12 5.745 -2.052 -2.165 1.00 0.00 O ATOM 166 CB LEU A 12 6.978 0.938 -2.911 1.00 0.00 C ATOM 167 CG LEU A 12 6.644 2.426 -2.869 1.00 0.00 C ATOM 168 CD1 LEU A 12 7.033 3.084 -4.175 1.00 0.00 C ATOM 169 CD2 LEU A 12 5.162 2.640 -2.597 1.00 0.00 C ATOM 0 H LEU A 12 8.312 1.093 -0.956 1.00 0.00 H new ATOM 0 HA LEU A 12 5.633 0.325 -1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.047 0.839 -3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.460 0.501 -3.765 1.00 0.00 H new ATOM 0 HG LEU A 12 7.211 2.882 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.790 4.146 -4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.104 2.963 -4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.486 2.618 -4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.947 3.708 -2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.576 2.171 -3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.900 2.194 -1.637 1.00 0.00 H new ATOM 181 N ALA A 13 7.970 -1.844 -2.122 1.00 0.00 N ATOM 182 CA ALA A 13 8.235 -3.220 -2.433 1.00 0.00 C ATOM 183 C ALA A 13 7.727 -4.122 -1.310 1.00 0.00 C ATOM 184 O ALA A 13 7.221 -5.197 -1.555 1.00 0.00 O ATOM 185 CB ALA A 13 9.723 -3.432 -2.685 1.00 0.00 C ATOM 0 H ALA A 13 8.808 -1.283 -1.972 1.00 0.00 H new ATOM 0 HA ALA A 13 7.702 -3.486 -3.346 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.907 -4.481 -2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.042 -2.812 -3.523 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.286 -3.156 -1.794 1.00 0.00 H new ATOM 191 N ASN A 14 7.815 -3.636 -0.087 1.00 0.00 N ATOM 192 CA ASN A 14 7.366 -4.374 1.105 1.00 0.00 C ATOM 193 C ASN A 14 5.874 -4.254 1.300 1.00 0.00 C ATOM 194 O ASN A 14 5.290 -4.945 2.132 1.00 0.00 O ATOM 195 CB ASN A 14 8.039 -3.891 2.396 1.00 0.00 C ATOM 196 CG ASN A 14 9.522 -4.198 2.539 1.00 0.00 C ATOM 197 OD1 ASN A 14 10.233 -4.235 1.460 1.00 0.00 O flip ATOM 198 ND2 ASN A 14 10.018 -4.374 3.654 1.00 0.00 N flip ATOM 0 H ASN A 14 8.200 -2.715 0.122 1.00 0.00 H new ATOM 0 HA ASN A 14 7.649 -5.410 0.919 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.905 -2.812 2.469 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.515 -4.335 3.242 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.429 -4.338 4.486 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.018 -4.555 3.745 1.00 0.00 H new ATOM 205 N PHE A 15 5.247 -3.419 0.524 1.00 0.00 N ATOM 206 CA PHE A 15 3.870 -3.133 0.702 1.00 0.00 C ATOM 207 C PHE A 15 3.085 -4.149 -0.061 1.00 0.00 C ATOM 208 O PHE A 15 1.921 -4.426 0.239 1.00 0.00 O ATOM 209 CB PHE A 15 3.599 -1.678 0.246 1.00 0.00 C ATOM 210 CG PHE A 15 2.373 -1.470 -0.596 1.00 0.00 C ATOM 211 CD1 PHE A 15 2.475 -1.474 -1.975 1.00 0.00 C ATOM 212 CD2 PHE A 15 1.128 -1.287 -0.017 1.00 0.00 C ATOM 213 CE1 PHE A 15 1.364 -1.301 -2.762 1.00 0.00 C ATOM 214 CE2 PHE A 15 0.010 -1.111 -0.803 1.00 0.00 C ATOM 215 CZ PHE A 15 0.129 -1.120 -2.181 1.00 0.00 C ATOM 0 H PHE A 15 5.686 -2.920 -0.250 1.00 0.00 H new ATOM 0 HA PHE A 15 3.566 -3.198 1.747 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.518 -1.049 1.133 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.465 -1.327 -0.315 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.440 -1.615 -2.438 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.033 -1.282 1.059 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.459 -1.307 -3.838 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.957 -0.966 -0.344 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.746 -0.985 -2.800 1.00 0.00 H new ATOM 225 N LEU A 16 3.744 -4.752 -1.011 1.00 0.00 N ATOM 226 CA LEU A 16 3.122 -5.675 -1.832 1.00 0.00 C ATOM 227 C LEU A 16 3.971 -6.954 -1.966 1.00 0.00 C ATOM 228 O LEU A 16 3.739 -7.788 -2.832 1.00 0.00 O ATOM 229 CB LEU A 16 2.882 -4.990 -3.163 1.00 0.00 C ATOM 230 CG LEU A 16 3.868 -5.195 -4.338 1.00 0.00 C ATOM 231 CD1 LEU A 16 3.293 -4.597 -5.609 1.00 0.00 C ATOM 232 CD2 LEU A 16 5.204 -4.556 -4.053 1.00 0.00 C ATOM 0 H LEU A 16 4.731 -4.596 -1.215 1.00 0.00 H new ATOM 0 HA LEU A 16 2.170 -6.002 -1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.897 -5.299 -3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.830 -3.919 -2.969 1.00 0.00 H new ATOM 0 HG LEU A 16 4.015 -6.268 -4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.994 -4.746 -6.431 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.348 -5.085 -5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.124 -3.530 -5.465 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.873 -4.719 -4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.070 -3.486 -3.897 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.637 -5.001 -3.157 1.00 0.00 H new ATOM 244 N VAL A 17 4.895 -7.125 -1.045 1.00 0.00 N ATOM 245 CA VAL A 17 5.895 -8.187 -1.141 1.00 0.00 C ATOM 246 C VAL A 17 5.336 -9.593 -0.847 1.00 0.00 C ATOM 247 O VAL A 17 5.391 -10.481 -1.684 1.00 0.00 O ATOM 248 CB VAL A 17 7.166 -7.857 -0.299 1.00 0.00 C ATOM 249 CG1 VAL A 17 6.930 -7.822 1.210 1.00 0.00 C ATOM 250 CG2 VAL A 17 8.319 -8.736 -0.674 1.00 0.00 C ATOM 0 H VAL A 17 4.981 -6.542 -0.213 1.00 0.00 H new ATOM 0 HA VAL A 17 6.200 -8.221 -2.187 1.00 0.00 H new ATOM 0 HB VAL A 17 7.429 -6.832 -0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.864 -7.586 1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.186 -7.060 1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.570 -8.795 1.545 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.186 -8.477 -0.067 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.053 -9.779 -0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.558 -8.593 -1.728 1.00 0.00 H new ATOM 260 N HIS A 18 4.815 -9.781 0.329 1.00 0.00 N ATOM 261 CA HIS A 18 4.195 -11.049 0.724 1.00 0.00 C ATOM 262 C HIS A 18 2.826 -10.729 1.178 1.00 0.00 C ATOM 263 O HIS A 18 2.118 -11.541 1.783 1.00 0.00 O ATOM 264 CB HIS A 18 4.970 -11.783 1.833 1.00 0.00 C ATOM 265 CG HIS A 18 6.307 -12.295 1.421 1.00 0.00 C ATOM 266 ND1 HIS A 18 7.388 -11.632 1.043 1.00 0.00 N flip ATOM 267 CD2 HIS A 18 6.645 -13.629 1.386 1.00 0.00 C flip ATOM 268 CE1 HIS A 18 8.372 -12.541 0.778 1.00 0.00 C flip ATOM 269 NE2 HIS A 18 7.897 -13.747 0.993 1.00 0.00 N flip ATOM 0 H HIS A 18 4.799 -9.067 1.058 1.00 0.00 H new ATOM 0 HA HIS A 18 4.195 -11.729 -0.128 1.00 0.00 H new ATOM 0 HB2 HIS A 18 5.099 -11.106 2.677 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.368 -12.620 2.186 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.989 -14.448 1.640 1.00 0.00 H new ATOM 0 HE1 HIS A 18 9.373 -12.308 0.447 1.00 0.00 H new ATOM 0 HE2 HIS A 18 8.408 -14.622 0.876 1.00 0.00 H new ATOM 278 N SER A 19 2.428 -9.534 0.790 1.00 0.00 N ATOM 279 CA SER A 19 1.158 -8.982 1.086 1.00 0.00 C ATOM 280 C SER A 19 0.099 -9.675 0.243 1.00 0.00 C ATOM 281 O SER A 19 -1.077 -9.460 0.419 1.00 0.00 O ATOM 282 CB SER A 19 1.197 -7.515 0.754 1.00 0.00 C ATOM 283 OG SER A 19 2.360 -6.914 1.317 1.00 0.00 O ATOM 0 H SER A 19 3.018 -8.911 0.239 1.00 0.00 H new ATOM 0 HA SER A 19 0.916 -9.121 2.140 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.196 -7.379 -0.328 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.303 -7.024 1.138 1.00 0.00 H new ATOM 0 HG SER A 19 2.103 -6.116 1.824 1.00 0.00 H new ATOM 289 N SER A 20 0.572 -10.553 -0.642 1.00 0.00 N ATOM 290 CA SER A 20 -0.190 -11.360 -1.567 1.00 0.00 C ATOM 291 C SER A 20 -1.259 -12.163 -0.810 1.00 0.00 C ATOM 292 O SER A 20 -2.320 -12.497 -1.338 1.00 0.00 O ATOM 293 CB SER A 20 0.819 -12.289 -2.196 1.00 0.00 C ATOM 294 OG SER A 20 2.056 -11.581 -2.346 1.00 0.00 O ATOM 0 H SER A 20 1.574 -10.724 -0.729 1.00 0.00 H new ATOM 0 HA SER A 20 -0.710 -10.757 -2.311 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.961 -13.172 -1.573 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.461 -12.637 -3.165 1.00 0.00 H new ATOM 0 HG SER A 20 2.724 -12.172 -2.752 1.00 0.00 H new ATOM 300 N ASN A 21 -0.983 -12.379 0.450 1.00 0.00 N ATOM 301 CA ASN A 21 -1.858 -13.077 1.348 1.00 0.00 C ATOM 302 C ASN A 21 -3.101 -12.249 1.663 1.00 0.00 C ATOM 303 O ASN A 21 -4.206 -12.760 1.832 1.00 0.00 O ATOM 304 CB ASN A 21 -1.123 -13.461 2.633 1.00 0.00 C ATOM 305 CG ASN A 21 -0.164 -14.619 2.460 1.00 0.00 C ATOM 306 OD1 ASN A 21 -0.554 -15.787 2.574 1.00 0.00 O ATOM 307 ND2 ASN A 21 1.092 -14.322 2.223 1.00 0.00 N ATOM 0 H ASN A 21 -0.118 -12.064 0.889 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.183 -13.992 0.853 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.571 -12.595 2.999 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.856 -13.718 3.398 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.783 -15.066 2.127 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.378 -13.347 2.135 1.00 0.00 H new ATOM 314 N ASN A 22 -2.955 -10.981 1.663 1.00 0.00 N ATOM 315 CA ASN A 22 -4.057 -10.109 1.983 1.00 0.00 C ATOM 316 C ASN A 22 -4.449 -9.356 0.770 1.00 0.00 C ATOM 317 O ASN A 22 -5.301 -8.493 0.762 1.00 0.00 O ATOM 318 CB ASN A 22 -3.696 -9.288 3.189 1.00 0.00 C ATOM 319 CG ASN A 22 -3.955 -10.097 4.452 1.00 0.00 C ATOM 320 OD1 ASN A 22 -4.989 -9.953 5.100 1.00 0.00 O ATOM 321 ND2 ASN A 22 -3.055 -10.994 4.761 1.00 0.00 N ATOM 0 H ASN A 22 -2.081 -10.503 1.445 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.955 -10.655 2.273 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.647 -8.995 3.141 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.283 -8.370 3.206 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.199 -11.605 5.565 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.209 -11.083 4.198 1.00 0.00 H new ATOM 328 N PHE A 23 -3.820 -9.780 -0.274 1.00 0.00 N ATOM 329 CA PHE A 23 -4.060 -9.395 -1.613 1.00 0.00 C ATOM 330 C PHE A 23 -4.897 -10.493 -2.262 1.00 0.00 C ATOM 331 O PHE A 23 -5.295 -10.411 -3.420 1.00 0.00 O ATOM 332 CB PHE A 23 -2.707 -9.243 -2.275 1.00 0.00 C ATOM 333 CG PHE A 23 -2.240 -7.836 -2.424 1.00 0.00 C ATOM 334 CD1 PHE A 23 -1.884 -7.116 -1.305 1.00 0.00 C ATOM 335 CD2 PHE A 23 -2.138 -7.234 -3.665 1.00 0.00 C ATOM 336 CE1 PHE A 23 -1.436 -5.829 -1.401 1.00 0.00 C ATOM 337 CE2 PHE A 23 -1.688 -5.929 -3.777 1.00 0.00 C ATOM 338 CZ PHE A 23 -1.335 -5.224 -2.638 1.00 0.00 C ATOM 0 H PHE A 23 -3.064 -10.461 -0.200 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.603 -8.454 -1.702 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.969 -9.796 -1.694 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.747 -9.704 -3.262 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.961 -7.578 -0.332 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.411 -7.785 -4.553 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.161 -5.285 -0.510 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.613 -5.463 -4.748 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.983 -4.206 -2.717 1.00 0.00 H new ATOM 348 N GLY A 24 -5.125 -11.541 -1.484 1.00 0.00 N ATOM 349 CA GLY A 24 -6.000 -12.600 -1.875 1.00 0.00 C ATOM 350 C GLY A 24 -5.516 -13.962 -1.527 1.00 0.00 C ATOM 351 O GLY A 24 -5.201 -14.769 -2.396 1.00 0.00 O ATOM 0 H GLY A 24 -4.701 -11.667 -0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.971 -12.443 -1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.154 -12.548 -2.953 1.00 0.00 H new ATOM 355 N ALA A 25 -5.389 -14.187 -0.271 1.00 0.00 N ATOM 356 CA ALA A 25 -5.190 -15.507 0.258 1.00 0.00 C ATOM 357 C ALA A 25 -6.351 -15.763 1.144 1.00 0.00 C ATOM 358 O ALA A 25 -7.000 -16.792 1.081 1.00 0.00 O ATOM 359 CB ALA A 25 -3.901 -15.593 1.030 1.00 0.00 C ATOM 0 H ALA A 25 -5.419 -13.455 0.439 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.120 -16.247 -0.539 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.777 -16.604 1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.066 -15.352 0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.926 -14.886 1.859 1.00 0.00 H new ATOM 365 N ILE A 26 -6.624 -14.784 1.935 1.00 0.00 N ATOM 366 CA ILE A 26 -7.714 -14.792 2.809 1.00 0.00 C ATOM 367 C ILE A 26 -8.921 -14.059 2.194 1.00 0.00 C ATOM 368 O ILE A 26 -10.052 -14.528 2.309 1.00 0.00 O ATOM 369 CB ILE A 26 -7.318 -14.162 4.164 1.00 0.00 C ATOM 370 CG1 ILE A 26 -8.526 -14.036 5.051 1.00 0.00 C ATOM 371 CG2 ILE A 26 -6.651 -12.802 3.954 1.00 0.00 C ATOM 372 CD1 ILE A 26 -8.239 -13.508 6.441 1.00 0.00 C ATOM 0 H ILE A 26 -6.066 -13.931 1.982 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.008 -15.827 2.982 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.597 -14.816 4.654 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.247 -13.376 4.568 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.999 -15.014 5.139 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.380 -12.376 4.920 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.753 -12.927 3.348 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.343 -12.132 3.444 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.168 -13.451 7.008 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.545 -14.178 6.948 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.797 -12.514 6.369 1.00 0.00 H new ATOM 384 N LEU A 27 -8.664 -12.940 1.485 1.00 0.00 N ATOM 385 CA LEU A 27 -9.736 -12.097 0.956 1.00 0.00 C ATOM 386 C LEU A 27 -10.555 -12.858 -0.022 1.00 0.00 C ATOM 387 O LEU A 27 -11.786 -12.780 -0.017 1.00 0.00 O ATOM 388 CB LEU A 27 -9.145 -10.790 0.338 1.00 0.00 C ATOM 389 CG LEU A 27 -8.991 -10.592 -1.211 1.00 0.00 C ATOM 390 CD1 LEU A 27 -10.325 -10.407 -1.929 1.00 0.00 C ATOM 391 CD2 LEU A 27 -8.098 -9.397 -1.486 1.00 0.00 C ATOM 0 H LEU A 27 -7.724 -12.607 1.271 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.395 -11.800 1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.761 -9.966 0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.153 -10.660 0.771 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.543 -11.506 -1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.148 -10.275 -2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.949 -11.287 -1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.832 -9.527 -1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.993 -9.262 -2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.542 -8.503 -1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.116 -9.567 -1.044 1.00 0.00 H new ATOM 403 N SER A 28 -9.861 -13.615 -0.833 1.00 0.00 N ATOM 404 CA SER A 28 -10.464 -14.379 -1.884 1.00 0.00 C ATOM 405 C SER A 28 -11.618 -15.287 -1.372 1.00 0.00 C ATOM 406 O SER A 28 -12.590 -15.521 -2.083 1.00 0.00 O ATOM 407 CB SER A 28 -9.402 -15.174 -2.593 1.00 0.00 C ATOM 408 OG SER A 28 -8.338 -14.322 -2.974 1.00 0.00 O ATOM 0 H SER A 28 -8.848 -13.716 -0.777 1.00 0.00 H new ATOM 0 HA SER A 28 -10.924 -13.688 -2.590 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.031 -15.965 -1.941 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.825 -15.659 -3.473 1.00 0.00 H new ATOM 0 HG SER A 28 -7.649 -14.845 -3.434 1.00 0.00 H new ATOM 414 N SER A 29 -11.470 -15.800 -0.138 1.00 0.00 N ATOM 415 CA SER A 29 -12.501 -16.578 0.580 1.00 0.00 C ATOM 416 C SER A 29 -12.794 -17.967 -0.026 1.00 0.00 C ATOM 417 O SER A 29 -13.451 -18.807 0.618 1.00 0.00 O ATOM 418 CB SER A 29 -13.775 -15.770 0.704 1.00 0.00 C ATOM 419 OG SER A 29 -13.516 -14.495 1.310 1.00 0.00 O ATOM 0 H SER A 29 -10.612 -15.684 0.402 1.00 0.00 H new ATOM 0 HA SER A 29 -12.087 -16.777 1.568 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.216 -15.625 -0.282 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.502 -16.320 1.301 1.00 0.00 H new ATOM 0 HG SER A 29 -12.944 -13.962 0.719 1.00 0.00 H new ATOM 425 N THR A 30 -12.273 -18.217 -1.209 1.00 0.00 N ATOM 426 CA THR A 30 -12.496 -19.442 -1.939 1.00 0.00 C ATOM 427 C THR A 30 -12.058 -20.671 -1.126 1.00 0.00 C ATOM 428 O THR A 30 -12.754 -21.693 -1.086 1.00 0.00 O ATOM 429 CB THR A 30 -11.801 -19.397 -3.350 1.00 0.00 C ATOM 430 OG1 THR A 30 -11.937 -20.642 -4.038 1.00 0.00 O ATOM 431 CG2 THR A 30 -10.329 -19.031 -3.244 1.00 0.00 C ATOM 0 H THR A 30 -11.669 -17.557 -1.699 1.00 0.00 H new ATOM 0 HA THR A 30 -13.569 -19.537 -2.107 1.00 0.00 H new ATOM 0 HB THR A 30 -12.309 -18.620 -3.921 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.497 -20.583 -4.912 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.886 -19.011 -4.240 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.231 -18.048 -2.783 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.813 -19.771 -2.633 1.00 0.00 H new ATOM 439 N ASN A 31 -10.977 -20.525 -0.417 1.00 0.00 N ATOM 440 CA ASN A 31 -10.416 -21.608 0.385 1.00 0.00 C ATOM 441 C ASN A 31 -10.820 -21.470 1.845 1.00 0.00 C ATOM 442 O ASN A 31 -10.836 -22.446 2.605 1.00 0.00 O ATOM 443 CB ASN A 31 -8.884 -21.698 0.199 1.00 0.00 C ATOM 444 CG ASN A 31 -8.201 -22.653 1.166 1.00 0.00 C ATOM 445 OD1 ASN A 31 -8.129 -23.858 0.937 1.00 0.00 O ATOM 446 ND2 ASN A 31 -7.653 -22.123 2.216 1.00 0.00 N ATOM 0 H ASN A 31 -10.447 -19.655 -0.369 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.832 -22.552 0.032 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.670 -22.015 -0.822 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.454 -20.704 0.321 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.146 -22.710 2.878 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.730 -21.119 2.380 1.00 0.00 H new ATOM 453 N VAL A 32 -11.219 -20.269 2.208 1.00 0.00 N ATOM 454 CA VAL A 32 -11.664 -19.971 3.573 1.00 0.00 C ATOM 455 C VAL A 32 -12.950 -20.739 3.852 1.00 0.00 C ATOM 456 O VAL A 32 -13.181 -21.227 4.967 1.00 0.00 O ATOM 457 CB VAL A 32 -11.921 -18.453 3.777 1.00 0.00 C ATOM 458 CG1 VAL A 32 -12.232 -18.126 5.225 1.00 0.00 C ATOM 459 CG2 VAL A 32 -10.747 -17.651 3.305 1.00 0.00 C ATOM 0 H VAL A 32 -11.248 -19.469 1.576 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.875 -20.273 4.262 1.00 0.00 H new ATOM 0 HB VAL A 32 -12.794 -18.187 3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.406 -17.055 5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -13.124 -18.670 5.537 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.390 -18.418 5.853 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.947 -16.590 3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.860 -17.938 3.870 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.579 -17.841 2.245 1.00 0.00 H new ATOM 469 N GLY A 33 -13.763 -20.868 2.827 1.00 0.00 N ATOM 470 CA GLY A 33 -14.979 -21.619 2.962 1.00 0.00 C ATOM 471 C GLY A 33 -16.068 -21.169 2.023 1.00 0.00 C ATOM 472 O GLY A 33 -17.145 -21.759 2.000 1.00 0.00 O ATOM 0 H GLY A 33 -13.602 -20.466 1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -14.768 -22.673 2.783 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.337 -21.535 3.988 1.00 0.00 H new ATOM 476 N SER A 34 -15.813 -20.149 1.227 1.00 0.00 N ATOM 477 CA SER A 34 -16.852 -19.645 0.345 1.00 0.00 C ATOM 478 C SER A 34 -16.948 -20.433 -0.971 1.00 0.00 C ATOM 479 O SER A 34 -17.970 -20.389 -1.656 1.00 0.00 O ATOM 480 CB SER A 34 -16.637 -18.159 0.084 1.00 0.00 C ATOM 481 OG SER A 34 -16.560 -17.445 1.319 1.00 0.00 O ATOM 0 H SER A 34 -14.919 -19.662 1.171 1.00 0.00 H new ATOM 0 HA SER A 34 -17.807 -19.784 0.851 1.00 0.00 H new ATOM 0 HB2 SER A 34 -15.720 -18.012 -0.487 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.455 -17.767 -0.520 1.00 0.00 H new ATOM 0 HG SER A 34 -16.740 -16.495 1.159 1.00 0.00 H new ATOM 487 N ASN A 35 -15.897 -21.161 -1.319 1.00 0.00 N ATOM 488 CA ASN A 35 -15.882 -21.909 -2.582 1.00 0.00 C ATOM 489 C ASN A 35 -15.311 -23.283 -2.370 1.00 0.00 C ATOM 490 O ASN A 35 -14.795 -23.910 -3.303 1.00 0.00 O ATOM 491 CB ASN A 35 -15.044 -21.180 -3.631 1.00 0.00 C ATOM 492 CG ASN A 35 -15.605 -19.837 -4.039 1.00 0.00 C ATOM 493 OD1 ASN A 35 -15.330 -18.824 -3.400 1.00 0.00 O ATOM 494 ND2 ASN A 35 -16.333 -19.800 -5.121 1.00 0.00 N ATOM 0 H ASN A 35 -15.050 -21.254 -0.758 1.00 0.00 H new ATOM 0 HA ASN A 35 -16.910 -21.990 -2.935 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -14.036 -21.038 -3.242 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -14.958 -21.811 -4.516 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.694 -18.909 -5.462 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -16.541 -20.662 -5.626 1.00 0.00 H new ATOM 501 N THR A 36 -15.414 -23.768 -1.164 1.00 0.00 N ATOM 502 CA THR A 36 -14.907 -25.065 -0.836 1.00 0.00 C ATOM 503 C THR A 36 -15.923 -26.131 -1.195 1.00 0.00 C ATOM 504 O THR A 36 -16.827 -26.436 -0.416 1.00 0.00 O ATOM 505 CB THR A 36 -14.544 -25.149 0.651 1.00 0.00 C ATOM 506 OG1 THR A 36 -15.642 -24.642 1.439 1.00 0.00 O ATOM 507 CG2 THR A 36 -13.289 -24.344 0.945 1.00 0.00 C ATOM 0 H THR A 36 -15.851 -23.275 -0.385 1.00 0.00 H new ATOM 0 HA THR A 36 -14.000 -25.236 -1.416 1.00 0.00 H new ATOM 0 HB THR A 36 -14.353 -26.191 0.908 1.00 0.00 H new ATOM 0 HG1 THR A 36 -16.474 -25.078 1.160 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.050 -24.418 2.006 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.459 -24.737 0.358 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.457 -23.299 0.683 1.00 0.00 H new HETATM 515 N TYC A 37 -15.815 -26.638 -2.380 1.00 0.00 N HETATM 516 CA TYC A 37 -16.723 -27.635 -2.857 1.00 0.00 C HETATM 517 C TYC A 37 -16.003 -28.960 -3.002 1.00 0.00 C HETATM 518 O TYC A 37 -15.947 -29.748 -2.054 1.00 0.00 O HETATM 519 CB TYC A 37 -17.380 -27.182 -4.174 1.00 0.00 C HETATM 520 CG TYC A 37 -18.168 -25.896 -4.039 1.00 0.00 C HETATM 521 CD1 TYC A 37 -17.788 -24.741 -4.708 1.00 0.00 C HETATM 522 CD2 TYC A 37 -19.279 -25.838 -3.219 1.00 0.00 C HETATM 523 CE1 TYC A 37 -18.505 -23.568 -4.560 1.00 0.00 C HETATM 524 CE2 TYC A 37 -19.998 -24.681 -3.069 1.00 0.00 C HETATM 525 OH TYC A 37 -20.333 -22.388 -3.570 1.00 0.00 O HETATM 526 CZ TYC A 37 -19.613 -23.549 -3.736 1.00 0.00 C HETATM 527 NXT TYC A 37 -15.422 -29.200 -4.150 1.00 0.00 N HETATM 0 HT22 TYC A 37 -14.925 -30.078 -4.296 1.00 0.00 H new HETATM 0 HT21 TYC A 37 -15.467 -28.509 -4.899 1.00 0.00 H new HETATM 0 HH TYC A 37 -21.081 -22.552 -2.959 1.00 0.00 H new HETATM 0 HE2 TYC A 37 -20.874 -24.662 -2.421 1.00 0.00 H new HETATM 0 HE1 TYC A 37 -18.198 -22.666 -5.089 1.00 0.00 H new HETATM 0 HD2 TYC A 37 -19.590 -26.733 -2.680 1.00 0.00 H new HETATM 0 HD1 TYC A 37 -16.913 -24.759 -5.358 1.00 0.00 H new HETATM 0 HB2 TYC A 37 -16.607 -27.048 -4.931 1.00 0.00 H new HETATM 0 HB1 TYC A 37 -18.043 -27.970 -4.531 1.00 0.00 H new HETATM 0 HA TYC A 37 -17.525 -27.772 -2.132 1.00 0.00 H new TER 539 TYC A 37