USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=16 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 21 ASN : amide:sc= 0 X(o=-0.013,f=-0.013) USER MOD Set 1.2: A 22 ASN :FLIP amide:sc= -0.0127 F(o=-1.8!,f=-0.013) USER MOD Set 2.1: A 9 THR OG1 : rot -149:sc= 1.3 USER MOD Set 2.2: A 10 GLN : amide:sc= 0.00101 X(o=1.3,f=1) USER MOD Single : A 1 LYS N :NH3+ 147:sc= 0.0313 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc=-0.00574 X(o=-0.0057,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.033 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN :FLIP amide:sc= -0.0516 F(o=-1.8,f=-0.052) USER MOD Single : A 18 HIS :FLIP no HD1:sc= -0.315 F(o=-1.4,f=-0.32) USER MOD Single : A 19 SER OG : rot -68:sc= -0.375! USER MOD Single : A 20 SER OG : rot 180:sc= 0.00963 USER MOD Single : A 28 SER OG : rot 180:sc=-0.00527 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -43:sc= 0.489 USER MOD Single : A 31 ASN : amide:sc= 0.612 K(o=0.61,f=-2.5!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN :FLIP amide:sc= -0.148 F(o=-1.6!,f=-0.15) USER MOD Single : A 36 THR OG1 : rot 52:sc= 0.0903 USER MOD Single : A 37 TYC OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 10.756 5.985 9.474 1.00 0.00 N ATOM 2 CA LYS A 1 10.049 6.256 8.228 1.00 0.00 C ATOM 3 C LYS A 1 11.009 6.889 7.235 1.00 0.00 C ATOM 4 O LYS A 1 11.823 7.726 7.608 1.00 0.00 O ATOM 5 CB LYS A 1 8.843 7.186 8.479 1.00 0.00 C ATOM 6 CG LYS A 1 7.995 7.469 7.240 1.00 0.00 C ATOM 7 CD LYS A 1 6.784 8.340 7.555 1.00 0.00 C ATOM 8 CE LYS A 1 7.171 9.731 8.042 1.00 0.00 C ATOM 9 NZ LYS A 1 5.982 10.552 8.344 1.00 0.00 N ATOM 0 H1 LYS A 1 10.102 6.096 10.275 1.00 0.00 H new ATOM 0 H2 LYS A 1 11.125 5.013 9.460 1.00 0.00 H new ATOM 0 H3 LYS A 1 11.546 6.653 9.577 1.00 0.00 H new ATOM 0 HA LYS A 1 9.672 5.319 7.819 1.00 0.00 H new ATOM 0 HB2 LYS A 1 8.208 6.739 9.244 1.00 0.00 H new ATOM 0 HB3 LYS A 1 9.207 8.132 8.879 1.00 0.00 H new ATOM 0 HG2 LYS A 1 8.609 7.963 6.487 1.00 0.00 H new ATOM 0 HG3 LYS A 1 7.659 6.526 6.809 1.00 0.00 H new ATOM 0 HD2 LYS A 1 6.165 8.431 6.662 1.00 0.00 H new ATOM 0 HD3 LYS A 1 6.176 7.849 8.315 1.00 0.00 H new ATOM 0 HE2 LYS A 1 7.791 9.645 8.935 1.00 0.00 H new ATOM 0 HE3 LYS A 1 7.774 10.228 7.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 6.283 11.492 8.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 5.404 10.654 7.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 5.420 10.089 9.087 1.00 0.00 H new ATOM 25 N CYS A 2 10.937 6.483 5.999 1.00 0.00 N ATOM 26 CA CYS A 2 11.778 7.039 4.984 1.00 0.00 C ATOM 27 C CYS A 2 10.954 7.461 3.779 1.00 0.00 C ATOM 28 O CYS A 2 9.873 6.910 3.527 1.00 0.00 O ATOM 29 CB CYS A 2 12.895 6.073 4.617 1.00 0.00 C ATOM 30 SG CYS A 2 12.360 4.399 4.165 1.00 0.00 S ATOM 0 H CYS A 2 10.296 5.761 5.670 1.00 0.00 H new ATOM 0 HA CYS A 2 12.255 7.938 5.375 1.00 0.00 H new ATOM 0 HB2 CYS A 2 13.457 6.494 3.783 1.00 0.00 H new ATOM 0 HB3 CYS A 2 13.582 6.001 5.460 1.00 0.00 H new ATOM 35 N ASN A 3 11.461 8.426 3.037 1.00 0.00 N ATOM 36 CA ASN A 3 10.721 9.033 1.932 1.00 0.00 C ATOM 37 C ASN A 3 11.647 9.304 0.750 1.00 0.00 C ATOM 38 O ASN A 3 11.335 10.089 -0.145 1.00 0.00 O ATOM 39 CB ASN A 3 10.042 10.351 2.395 1.00 0.00 C ATOM 40 CG ASN A 3 11.022 11.449 2.808 1.00 0.00 C ATOM 41 OD1 ASN A 3 11.434 11.536 3.972 1.00 0.00 O ATOM 42 ND2 ASN A 3 11.379 12.304 1.881 1.00 0.00 N ATOM 0 H ASN A 3 12.394 8.815 3.177 1.00 0.00 H new ATOM 0 HA ASN A 3 9.948 8.334 1.613 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.413 10.726 1.587 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.384 10.132 3.236 1.00 0.00 H new ATOM 0 HD21 ASN A 3 12.014 13.069 2.110 1.00 0.00 H new ATOM 0 HD22 ASN A 3 11.022 12.205 0.931 1.00 0.00 H new ATOM 49 N THR A 4 12.761 8.626 0.719 1.00 0.00 N ATOM 50 CA THR A 4 13.695 8.800 -0.363 1.00 0.00 C ATOM 51 C THR A 4 13.521 7.668 -1.364 1.00 0.00 C ATOM 52 O THR A 4 13.038 6.585 -1.008 1.00 0.00 O ATOM 53 CB THR A 4 15.178 8.856 0.141 1.00 0.00 C ATOM 54 OG1 THR A 4 16.072 8.977 -0.961 1.00 0.00 O ATOM 55 CG2 THR A 4 15.549 7.617 0.934 1.00 0.00 C ATOM 0 H THR A 4 13.045 7.949 1.427 1.00 0.00 H new ATOM 0 HA THR A 4 13.484 9.756 -0.841 1.00 0.00 H new ATOM 0 HB THR A 4 15.262 9.727 0.791 1.00 0.00 H new ATOM 0 HG1 THR A 4 16.994 9.013 -0.632 1.00 0.00 H new ATOM 0 HG21 THR A 4 16.584 7.694 1.266 1.00 0.00 H new ATOM 0 HG22 THR A 4 14.895 7.531 1.802 1.00 0.00 H new ATOM 0 HG23 THR A 4 15.434 6.734 0.305 1.00 0.00 H new ATOM 63 N ALA A 5 13.947 7.907 -2.585 1.00 0.00 N ATOM 64 CA ALA A 5 13.832 6.967 -3.701 1.00 0.00 C ATOM 65 C ALA A 5 14.634 5.705 -3.442 1.00 0.00 C ATOM 66 O ALA A 5 14.416 4.680 -4.058 1.00 0.00 O ATOM 67 CB ALA A 5 14.294 7.623 -4.988 1.00 0.00 C ATOM 0 H ALA A 5 14.398 8.784 -2.846 1.00 0.00 H new ATOM 0 HA ALA A 5 12.783 6.687 -3.798 1.00 0.00 H new ATOM 0 HB1 ALA A 5 14.204 6.914 -5.811 1.00 0.00 H new ATOM 0 HB2 ALA A 5 13.676 8.497 -5.193 1.00 0.00 H new ATOM 0 HB3 ALA A 5 15.335 7.930 -4.887 1.00 0.00 H new ATOM 73 N THR A 6 15.559 5.796 -2.542 1.00 0.00 N ATOM 74 CA THR A 6 16.365 4.674 -2.176 1.00 0.00 C ATOM 75 C THR A 6 15.643 3.791 -1.121 1.00 0.00 C ATOM 76 O THR A 6 15.955 2.614 -0.958 1.00 0.00 O ATOM 77 CB THR A 6 17.696 5.202 -1.607 1.00 0.00 C ATOM 78 OG1 THR A 6 18.322 6.046 -2.588 1.00 0.00 O ATOM 79 CG2 THR A 6 18.633 4.072 -1.223 1.00 0.00 C ATOM 0 H THR A 6 15.779 6.654 -2.037 1.00 0.00 H new ATOM 0 HA THR A 6 16.548 4.054 -3.054 1.00 0.00 H new ATOM 0 HB THR A 6 17.481 5.769 -0.701 1.00 0.00 H new ATOM 0 HG1 THR A 6 19.169 6.388 -2.233 1.00 0.00 H new ATOM 0 HG21 THR A 6 19.560 4.487 -0.826 1.00 0.00 H new ATOM 0 HG22 THR A 6 18.160 3.449 -0.464 1.00 0.00 H new ATOM 0 HG23 THR A 6 18.853 3.467 -2.103 1.00 0.00 H new ATOM 87 N CYS A 7 14.624 4.327 -0.482 1.00 0.00 N ATOM 88 CA CYS A 7 14.063 3.651 0.672 1.00 0.00 C ATOM 89 C CYS A 7 12.587 3.448 0.560 1.00 0.00 C ATOM 90 O CYS A 7 12.088 2.363 0.807 1.00 0.00 O ATOM 91 CB CYS A 7 14.310 4.474 1.871 1.00 0.00 C ATOM 92 SG CYS A 7 14.062 3.588 3.443 1.00 0.00 S ATOM 0 H CYS A 7 14.175 5.208 -0.733 1.00 0.00 H new ATOM 0 HA CYS A 7 14.540 2.673 0.736 1.00 0.00 H new ATOM 0 HB2 CYS A 7 15.332 4.851 1.836 1.00 0.00 H new ATOM 0 HB3 CYS A 7 13.649 5.341 1.846 1.00 0.00 H new ATOM 97 N ALA A 8 11.878 4.486 0.161 1.00 0.00 N ATOM 98 CA ALA A 8 10.442 4.436 0.064 1.00 0.00 C ATOM 99 C ALA A 8 10.047 3.420 -0.971 1.00 0.00 C ATOM 100 O ALA A 8 9.019 2.797 -0.883 1.00 0.00 O ATOM 101 CB ALA A 8 9.892 5.800 -0.275 1.00 0.00 C ATOM 0 H ALA A 8 12.285 5.383 -0.103 1.00 0.00 H new ATOM 0 HA ALA A 8 10.022 4.138 1.025 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.806 5.747 -0.345 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.171 6.509 0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.301 6.130 -1.230 1.00 0.00 H new ATOM 107 N THR A 9 10.944 3.209 -1.902 1.00 0.00 N ATOM 108 CA THR A 9 10.751 2.244 -2.970 1.00 0.00 C ATOM 109 C THR A 9 10.759 0.825 -2.423 1.00 0.00 C ATOM 110 O THR A 9 10.065 -0.065 -2.908 1.00 0.00 O ATOM 111 CB THR A 9 11.825 2.402 -4.007 1.00 0.00 C ATOM 112 OG1 THR A 9 13.090 2.531 -3.320 1.00 0.00 O ATOM 113 CG2 THR A 9 11.562 3.633 -4.852 1.00 0.00 C ATOM 0 H THR A 9 11.836 3.702 -1.946 1.00 0.00 H new ATOM 0 HA THR A 9 9.780 2.430 -3.430 1.00 0.00 H new ATOM 0 HB THR A 9 11.840 1.536 -4.669 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.695 3.090 -3.851 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.348 3.736 -5.600 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.598 3.533 -5.350 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.551 4.517 -4.214 1.00 0.00 H new ATOM 121 N GLN A 10 11.540 0.651 -1.401 1.00 0.00 N ATOM 122 CA GLN A 10 11.690 -0.605 -0.716 1.00 0.00 C ATOM 123 C GLN A 10 10.449 -0.813 0.102 1.00 0.00 C ATOM 124 O GLN A 10 9.924 -1.896 0.182 1.00 0.00 O ATOM 125 CB GLN A 10 12.917 -0.585 0.195 1.00 0.00 C ATOM 126 CG GLN A 10 14.177 -0.061 -0.468 1.00 0.00 C ATOM 127 CD GLN A 10 14.585 -0.804 -1.720 1.00 0.00 C ATOM 128 OE1 GLN A 10 14.363 -2.002 -1.867 1.00 0.00 O ATOM 129 NE2 GLN A 10 15.151 -0.090 -2.640 1.00 0.00 N ATOM 0 H GLN A 10 12.109 1.399 -1.006 1.00 0.00 H new ATOM 0 HA GLN A 10 11.829 -1.413 -1.434 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.697 0.030 1.068 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.104 -1.596 0.556 1.00 0.00 H new ATOM 0 HG2 GLN A 10 14.031 0.990 -0.716 1.00 0.00 H new ATOM 0 HG3 GLN A 10 14.996 -0.108 0.250 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.320 0.904 -2.483 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.428 -0.521 -3.522 1.00 0.00 H new ATOM 138 N ARG A 11 9.943 0.282 0.652 1.00 0.00 N ATOM 139 CA ARG A 11 8.706 0.256 1.435 1.00 0.00 C ATOM 140 C ARG A 11 7.575 -0.138 0.513 1.00 0.00 C ATOM 141 O ARG A 11 6.721 -0.927 0.872 1.00 0.00 O ATOM 142 CB ARG A 11 8.379 1.630 2.032 1.00 0.00 C ATOM 143 CG ARG A 11 9.479 2.265 2.853 1.00 0.00 C ATOM 144 CD ARG A 11 9.892 1.388 3.993 1.00 0.00 C ATOM 145 NE ARG A 11 8.758 1.047 4.872 1.00 0.00 N ATOM 146 CZ ARG A 11 8.865 0.419 6.042 1.00 0.00 C ATOM 147 NH1 ARG A 11 10.066 0.043 6.485 1.00 0.00 N ATOM 148 NH2 ARG A 11 7.765 0.162 6.760 1.00 0.00 N ATOM 0 H ARG A 11 10.369 1.205 0.572 1.00 0.00 H new ATOM 0 HA ARG A 11 8.833 -0.452 2.254 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.121 2.307 1.218 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.493 1.532 2.659 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.341 2.464 2.216 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.138 3.226 3.238 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.335 0.472 3.603 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.663 1.892 4.576 1.00 0.00 H new ATOM 0 HE ARG A 11 7.823 1.311 4.561 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.898 0.237 5.928 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.152 -0.438 7.380 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.850 0.447 6.411 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.842 -0.319 7.656 1.00 0.00 H new ATOM 162 N LEU A 12 7.631 0.392 -0.685 1.00 0.00 N ATOM 163 CA LEU A 12 6.706 0.094 -1.737 1.00 0.00 C ATOM 164 C LEU A 12 6.790 -1.376 -2.092 1.00 0.00 C ATOM 165 O LEU A 12 5.773 -2.040 -2.279 1.00 0.00 O ATOM 166 CB LEU A 12 7.081 0.942 -2.946 1.00 0.00 C ATOM 167 CG LEU A 12 6.755 2.444 -2.881 1.00 0.00 C ATOM 168 CD1 LEU A 12 7.142 3.142 -4.175 1.00 0.00 C ATOM 169 CD2 LEU A 12 5.280 2.671 -2.576 1.00 0.00 C ATOM 0 H LEU A 12 8.348 1.064 -0.957 1.00 0.00 H new ATOM 0 HA LEU A 12 5.687 0.316 -1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.153 0.836 -3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.579 0.525 -3.819 1.00 0.00 H new ATOM 0 HG LEU A 12 7.342 2.875 -2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.901 4.203 -4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.212 3.024 -4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.591 2.701 -5.005 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.077 3.741 -2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.672 2.216 -3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.033 2.219 -1.615 1.00 0.00 H new ATOM 181 N ALA A 13 8.000 -1.896 -2.127 1.00 0.00 N ATOM 182 CA ALA A 13 8.218 -3.289 -2.416 1.00 0.00 C ATOM 183 C ALA A 13 7.679 -4.167 -1.279 1.00 0.00 C ATOM 184 O ALA A 13 7.097 -5.214 -1.513 1.00 0.00 O ATOM 185 CB ALA A 13 9.689 -3.570 -2.674 1.00 0.00 C ATOM 0 H ALA A 13 8.853 -1.363 -1.956 1.00 0.00 H new ATOM 0 HA ALA A 13 7.670 -3.537 -3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.825 -4.630 -2.890 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.028 -2.980 -3.526 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.271 -3.302 -1.792 1.00 0.00 H new ATOM 191 N ASN A 14 7.813 -3.682 -0.056 1.00 0.00 N ATOM 192 CA ASN A 14 7.346 -4.404 1.150 1.00 0.00 C ATOM 193 C ASN A 14 5.849 -4.273 1.327 1.00 0.00 C ATOM 194 O ASN A 14 5.250 -4.947 2.156 1.00 0.00 O ATOM 195 CB ASN A 14 7.996 -3.901 2.449 1.00 0.00 C ATOM 196 CG ASN A 14 9.481 -4.190 2.630 1.00 0.00 C ATOM 197 OD1 ASN A 14 10.213 -4.226 1.579 1.00 0.00 O flip ATOM 198 ND2 ASN A 14 9.958 -4.350 3.759 1.00 0.00 N flip ATOM 0 H ASN A 14 8.245 -2.780 0.145 1.00 0.00 H new ATOM 0 HA ASN A 14 7.635 -5.441 0.980 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.850 -2.822 2.506 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.459 -4.340 3.290 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.351 -4.316 4.578 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.958 -4.516 3.871 1.00 0.00 H new ATOM 205 N PHE A 15 5.235 -3.443 0.537 1.00 0.00 N ATOM 206 CA PHE A 15 3.856 -3.166 0.682 1.00 0.00 C ATOM 207 C PHE A 15 3.100 -4.187 -0.098 1.00 0.00 C ATOM 208 O PHE A 15 1.967 -4.534 0.226 1.00 0.00 O ATOM 209 CB PHE A 15 3.586 -1.713 0.209 1.00 0.00 C ATOM 210 CG PHE A 15 2.386 -1.508 -0.686 1.00 0.00 C ATOM 211 CD1 PHE A 15 1.108 -1.379 -0.160 1.00 0.00 C ATOM 212 CD2 PHE A 15 2.550 -1.448 -2.061 1.00 0.00 C ATOM 213 CE1 PHE A 15 0.019 -1.198 -0.993 1.00 0.00 C ATOM 214 CE2 PHE A 15 1.471 -1.267 -2.896 1.00 0.00 C ATOM 215 CZ PHE A 15 0.201 -1.143 -2.364 1.00 0.00 C ATOM 0 H PHE A 15 5.688 -2.942 -0.227 1.00 0.00 H new ATOM 0 HA PHE A 15 3.528 -3.228 1.720 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.465 -1.084 1.091 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.470 -1.356 -0.319 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.963 -1.420 0.909 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.539 -1.545 -2.483 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.972 -1.100 -0.574 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.616 -1.222 -3.965 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.648 -1.003 -3.017 1.00 0.00 H new ATOM 225 N LEU A 16 3.761 -4.724 -1.088 1.00 0.00 N ATOM 226 CA LEU A 16 3.141 -5.621 -1.957 1.00 0.00 C ATOM 227 C LEU A 16 3.933 -6.930 -2.076 1.00 0.00 C ATOM 228 O LEU A 16 3.648 -7.783 -2.922 1.00 0.00 O ATOM 229 CB LEU A 16 2.956 -4.910 -3.278 1.00 0.00 C ATOM 230 CG LEU A 16 3.948 -5.153 -4.434 1.00 0.00 C ATOM 231 CD1 LEU A 16 3.417 -4.520 -5.709 1.00 0.00 C ATOM 232 CD2 LEU A 16 5.298 -4.566 -4.117 1.00 0.00 C ATOM 0 H LEU A 16 4.742 -4.537 -1.294 1.00 0.00 H new ATOM 0 HA LEU A 16 2.166 -5.924 -1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.962 -5.164 -3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.955 -3.840 -3.072 1.00 0.00 H new ATOM 0 HG LEU A 16 4.055 -6.229 -4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.121 -4.694 -6.522 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.454 -4.963 -5.962 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.294 -3.447 -5.559 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.979 -4.751 -4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.200 -3.492 -3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.693 -5.030 -3.213 1.00 0.00 H new ATOM 244 N VAL A 17 4.874 -7.099 -1.174 1.00 0.00 N ATOM 245 CA VAL A 17 5.781 -8.236 -1.169 1.00 0.00 C ATOM 246 C VAL A 17 5.028 -9.541 -0.856 1.00 0.00 C ATOM 247 O VAL A 17 5.226 -10.565 -1.504 1.00 0.00 O ATOM 248 CB VAL A 17 6.947 -7.992 -0.160 1.00 0.00 C ATOM 249 CG1 VAL A 17 6.451 -7.836 1.270 1.00 0.00 C ATOM 250 CG2 VAL A 17 8.022 -9.048 -0.260 1.00 0.00 C ATOM 0 H VAL A 17 5.037 -6.443 -0.410 1.00 0.00 H new ATOM 0 HA VAL A 17 6.212 -8.342 -2.165 1.00 0.00 H new ATOM 0 HB VAL A 17 7.402 -7.044 -0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.300 -7.668 1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.771 -6.986 1.329 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.926 -8.742 1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.810 -8.834 0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.592 -10.027 -0.048 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.441 -9.047 -1.266 1.00 0.00 H new ATOM 260 N HIS A 18 4.154 -9.466 0.110 1.00 0.00 N ATOM 261 CA HIS A 18 3.326 -10.582 0.537 1.00 0.00 C ATOM 262 C HIS A 18 1.972 -10.049 0.822 1.00 0.00 C ATOM 263 O HIS A 18 0.968 -10.579 0.347 1.00 0.00 O ATOM 264 CB HIS A 18 3.864 -11.289 1.795 1.00 0.00 C ATOM 265 CG HIS A 18 5.133 -12.059 1.617 1.00 0.00 C ATOM 266 ND1 HIS A 18 6.400 -11.641 1.503 1.00 0.00 N flip ATOM 267 CD2 HIS A 18 5.184 -13.426 1.595 1.00 0.00 C flip ATOM 268 CE1 HIS A 18 7.186 -12.746 1.413 1.00 0.00 C flip ATOM 269 NE2 HIS A 18 6.430 -13.811 1.473 1.00 0.00 N flip ATOM 0 H HIS A 18 3.987 -8.611 0.640 1.00 0.00 H new ATOM 0 HA HIS A 18 3.320 -11.326 -0.260 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.022 -10.539 2.570 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.096 -11.970 2.162 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.331 -14.084 1.667 1.00 0.00 H new ATOM 0 HE1 HIS A 18 8.261 -12.745 1.309 1.00 0.00 H new ATOM 0 HE2 HIS A 18 6.755 -14.777 1.432 1.00 0.00 H new ATOM 278 N SER A 19 1.958 -8.999 1.650 1.00 0.00 N ATOM 279 CA SER A 19 0.754 -8.231 1.979 1.00 0.00 C ATOM 280 C SER A 19 -0.253 -9.050 2.803 1.00 0.00 C ATOM 281 O SER A 19 -1.305 -8.545 3.142 1.00 0.00 O ATOM 282 CB SER A 19 0.111 -7.732 0.681 1.00 0.00 C ATOM 283 OG SER A 19 1.049 -7.025 -0.129 1.00 0.00 O ATOM 0 H SER A 19 2.796 -8.654 2.117 1.00 0.00 H new ATOM 0 HA SER A 19 1.047 -7.384 2.600 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.288 -8.579 0.123 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.731 -7.081 0.917 1.00 0.00 H new ATOM 0 HG SER A 19 1.292 -6.183 0.310 1.00 0.00 H new ATOM 289 N SER A 20 0.134 -10.269 3.191 1.00 0.00 N ATOM 290 CA SER A 20 -0.697 -11.237 3.901 1.00 0.00 C ATOM 291 C SER A 20 -1.295 -10.641 5.185 1.00 0.00 C ATOM 292 O SER A 20 -2.397 -10.983 5.600 1.00 0.00 O ATOM 293 CB SER A 20 0.166 -12.443 4.218 1.00 0.00 C ATOM 294 OG SER A 20 0.842 -12.886 3.040 1.00 0.00 O ATOM 0 H SER A 20 1.075 -10.620 3.010 1.00 0.00 H new ATOM 0 HA SER A 20 -1.540 -11.525 3.273 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.893 -12.187 4.989 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.452 -13.248 4.616 1.00 0.00 H new ATOM 0 HG SER A 20 1.398 -13.664 3.255 1.00 0.00 H new ATOM 300 N ASN A 21 -0.577 -9.720 5.750 1.00 0.00 N ATOM 301 CA ASN A 21 -0.957 -8.987 6.913 1.00 0.00 C ATOM 302 C ASN A 21 -2.249 -8.219 6.664 1.00 0.00 C ATOM 303 O ASN A 21 -3.149 -8.122 7.494 1.00 0.00 O ATOM 304 CB ASN A 21 0.122 -7.979 7.190 1.00 0.00 C ATOM 305 CG ASN A 21 0.156 -7.621 8.614 1.00 0.00 C ATOM 306 OD1 ASN A 21 -0.532 -6.714 9.083 1.00 0.00 O ATOM 307 ND2 ASN A 21 0.955 -8.325 9.309 1.00 0.00 N ATOM 0 H ASN A 21 0.338 -9.447 5.391 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.100 -9.678 7.744 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.088 -8.384 6.890 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.049 -7.085 6.591 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.050 -8.150 10.309 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.501 -9.064 8.866 1.00 0.00 H new ATOM 314 N ASN A 22 -2.372 -7.730 5.507 1.00 0.00 N ATOM 315 CA ASN A 22 -3.468 -6.890 5.166 1.00 0.00 C ATOM 316 C ASN A 22 -4.354 -7.632 4.217 1.00 0.00 C ATOM 317 O ASN A 22 -5.325 -7.129 3.686 1.00 0.00 O ATOM 318 CB ASN A 22 -2.896 -5.607 4.619 1.00 0.00 C ATOM 319 CG ASN A 22 -2.170 -4.778 5.692 1.00 0.00 C ATOM 320 OD1 ASN A 22 -2.576 -4.911 6.949 1.00 0.00 O flip ATOM 321 ND2 ASN A 22 -1.232 -4.043 5.394 1.00 0.00 N flip ATOM 0 H ASN A 22 -1.713 -7.894 4.746 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.095 -6.625 6.018 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.201 -5.838 3.812 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.699 -5.011 4.186 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.940 -3.958 4.420 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.745 -3.517 6.120 1.00 0.00 H new ATOM 328 N PHE A 23 -4.010 -8.871 4.092 1.00 0.00 N ATOM 329 CA PHE A 23 -4.674 -9.837 3.295 1.00 0.00 C ATOM 330 C PHE A 23 -5.294 -10.881 4.193 1.00 0.00 C ATOM 331 O PHE A 23 -5.776 -11.914 3.743 1.00 0.00 O ATOM 332 CB PHE A 23 -3.635 -10.435 2.389 1.00 0.00 C ATOM 333 CG PHE A 23 -3.670 -9.907 1.010 1.00 0.00 C ATOM 334 CD1 PHE A 23 -3.253 -8.626 0.765 1.00 0.00 C ATOM 335 CD2 PHE A 23 -4.111 -10.676 -0.038 1.00 0.00 C ATOM 336 CE1 PHE A 23 -3.265 -8.106 -0.490 1.00 0.00 C ATOM 337 CE2 PHE A 23 -4.130 -10.164 -1.315 1.00 0.00 C ATOM 338 CZ PHE A 23 -3.705 -8.873 -1.543 1.00 0.00 C ATOM 0 H PHE A 23 -3.201 -9.257 4.579 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.477 -9.400 2.701 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.648 -10.252 2.813 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.773 -11.516 2.358 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -2.907 -8.016 1.587 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.445 -11.688 0.141 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.930 -7.093 -0.660 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.477 -10.773 -2.137 1.00 0.00 H new ATOM 0 HZ PHE A 23 -3.717 -8.466 -2.543 1.00 0.00 H new ATOM 348 N GLY A 24 -5.266 -10.601 5.471 1.00 0.00 N ATOM 349 CA GLY A 24 -5.879 -11.471 6.423 1.00 0.00 C ATOM 350 C GLY A 24 -5.122 -11.646 7.699 1.00 0.00 C ATOM 351 O GLY A 24 -4.956 -12.752 8.180 1.00 0.00 O ATOM 0 H GLY A 24 -4.822 -9.774 5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.872 -11.087 6.657 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.016 -12.449 5.963 1.00 0.00 H new ATOM 355 N ALA A 25 -4.654 -10.564 8.237 1.00 0.00 N ATOM 356 CA ALA A 25 -4.123 -10.562 9.569 1.00 0.00 C ATOM 357 C ALA A 25 -5.030 -9.675 10.332 1.00 0.00 C ATOM 358 O ALA A 25 -5.640 -10.055 11.321 1.00 0.00 O ATOM 359 CB ALA A 25 -2.701 -10.040 9.590 1.00 0.00 C ATOM 0 H ALA A 25 -4.628 -9.658 7.769 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.076 -11.565 9.994 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.325 -10.050 10.613 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.071 -10.674 8.966 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.682 -9.020 9.207 1.00 0.00 H new ATOM 365 N ILE A 26 -5.182 -8.515 9.785 1.00 0.00 N ATOM 366 CA ILE A 26 -6.052 -7.527 10.278 1.00 0.00 C ATOM 367 C ILE A 26 -7.505 -7.863 9.907 1.00 0.00 C ATOM 368 O ILE A 26 -8.433 -7.611 10.663 1.00 0.00 O ATOM 369 CB ILE A 26 -5.643 -6.140 9.706 1.00 0.00 C ATOM 370 CG1 ILE A 26 -6.635 -5.098 10.107 1.00 0.00 C ATOM 371 CG2 ILE A 26 -5.517 -6.181 8.180 1.00 0.00 C ATOM 372 CD1 ILE A 26 -6.300 -3.694 9.651 1.00 0.00 C ATOM 0 H ILE A 26 -4.677 -8.228 8.947 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.980 -7.494 11.365 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.668 -5.885 10.121 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.611 -5.372 9.706 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.725 -5.101 11.193 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.230 -5.196 7.812 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.757 -6.910 7.897 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.474 -6.467 7.743 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.076 -3.007 9.988 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.341 -3.393 10.073 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.241 -3.669 8.563 1.00 0.00 H new ATOM 384 N LEU A 27 -7.671 -8.461 8.749 1.00 0.00 N ATOM 385 CA LEU A 27 -8.979 -8.773 8.244 1.00 0.00 C ATOM 386 C LEU A 27 -9.501 -10.002 8.902 1.00 0.00 C ATOM 387 O LEU A 27 -10.657 -10.052 9.338 1.00 0.00 O ATOM 388 CB LEU A 27 -8.918 -8.876 6.692 1.00 0.00 C ATOM 389 CG LEU A 27 -9.245 -10.208 5.941 1.00 0.00 C ATOM 390 CD1 LEU A 27 -10.696 -10.614 6.052 1.00 0.00 C ATOM 391 CD2 LEU A 27 -8.848 -10.090 4.480 1.00 0.00 C ATOM 0 H LEU A 27 -6.905 -8.742 8.137 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.685 -7.978 8.484 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.595 -8.118 6.299 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.910 -8.587 6.396 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.664 -10.992 6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.856 -11.546 5.509 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.955 -10.756 7.101 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.326 -9.833 5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.079 -11.022 3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.401 -9.272 4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.779 -9.891 4.408 1.00 0.00 H new ATOM 403 N SER A 28 -8.664 -10.974 8.986 1.00 0.00 N ATOM 404 CA SER A 28 -9.061 -12.215 9.542 1.00 0.00 C ATOM 405 C SER A 28 -9.220 -12.114 11.069 1.00 0.00 C ATOM 406 O SER A 28 -10.250 -12.508 11.619 1.00 0.00 O ATOM 407 CB SER A 28 -8.073 -13.295 9.146 1.00 0.00 C ATOM 408 OG SER A 28 -7.943 -13.346 7.733 1.00 0.00 O ATOM 0 H SER A 28 -7.694 -10.932 8.674 1.00 0.00 H new ATOM 0 HA SER A 28 -10.038 -12.486 9.142 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.103 -13.095 9.601 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.409 -14.261 9.523 1.00 0.00 H new ATOM 0 HG SER A 28 -7.302 -14.045 7.489 1.00 0.00 H new ATOM 414 N SER A 29 -8.201 -11.562 11.736 1.00 0.00 N ATOM 415 CA SER A 29 -8.128 -11.402 13.215 1.00 0.00 C ATOM 416 C SER A 29 -8.048 -12.749 13.990 1.00 0.00 C ATOM 417 O SER A 29 -7.361 -12.869 15.012 1.00 0.00 O ATOM 418 CB SER A 29 -9.246 -10.494 13.735 1.00 0.00 C ATOM 419 OG SER A 29 -9.201 -9.230 13.077 1.00 0.00 O ATOM 0 H SER A 29 -7.375 -11.200 11.260 1.00 0.00 H new ATOM 0 HA SER A 29 -7.179 -10.906 13.418 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.214 -10.965 13.567 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.141 -10.356 14.811 1.00 0.00 H new ATOM 0 HG SER A 29 -9.921 -8.659 13.416 1.00 0.00 H new ATOM 425 N THR A 30 -8.695 -13.740 13.465 1.00 0.00 N ATOM 426 CA THR A 30 -8.750 -15.096 13.976 1.00 0.00 C ATOM 427 C THR A 30 -7.401 -15.844 13.696 1.00 0.00 C ATOM 428 O THR A 30 -7.336 -17.069 13.623 1.00 0.00 O ATOM 429 CB THR A 30 -9.934 -15.806 13.253 1.00 0.00 C ATOM 430 OG1 THR A 30 -10.139 -17.144 13.732 1.00 0.00 O ATOM 431 CG2 THR A 30 -9.707 -15.815 11.743 1.00 0.00 C ATOM 0 H THR A 30 -9.240 -13.628 12.610 1.00 0.00 H new ATOM 0 HA THR A 30 -8.900 -15.099 15.056 1.00 0.00 H new ATOM 0 HB THR A 30 -10.836 -15.238 13.479 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.273 -17.593 13.829 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.543 -16.314 11.252 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.633 -14.790 11.380 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.783 -16.347 11.517 1.00 0.00 H new ATOM 439 N ASN A 31 -6.323 -15.102 13.648 1.00 0.00 N ATOM 440 CA ASN A 31 -5.014 -15.651 13.312 1.00 0.00 C ATOM 441 C ASN A 31 -4.404 -16.108 14.586 1.00 0.00 C ATOM 442 O ASN A 31 -3.572 -17.000 14.630 1.00 0.00 O ATOM 443 CB ASN A 31 -4.121 -14.574 12.687 1.00 0.00 C ATOM 444 CG ASN A 31 -4.667 -13.992 11.394 1.00 0.00 C ATOM 445 OD1 ASN A 31 -5.462 -13.043 11.411 1.00 0.00 O ATOM 446 ND2 ASN A 31 -4.237 -14.518 10.280 1.00 0.00 N ATOM 0 H ASN A 31 -6.318 -14.100 13.839 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.116 -16.465 12.594 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.984 -13.767 13.407 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.136 -15.000 12.494 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.556 -14.148 9.385 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.582 -15.299 10.304 1.00 0.00 H new ATOM 453 N VAL A 32 -4.922 -15.526 15.626 1.00 0.00 N ATOM 454 CA VAL A 32 -4.494 -15.714 16.970 1.00 0.00 C ATOM 455 C VAL A 32 -4.854 -17.108 17.503 1.00 0.00 C ATOM 456 O VAL A 32 -4.226 -17.604 18.430 1.00 0.00 O ATOM 457 CB VAL A 32 -5.104 -14.611 17.860 1.00 0.00 C ATOM 458 CG1 VAL A 32 -4.645 -13.237 17.398 1.00 0.00 C ATOM 459 CG2 VAL A 32 -6.621 -14.679 17.872 1.00 0.00 C ATOM 0 H VAL A 32 -5.699 -14.870 15.549 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.407 -15.643 16.994 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.752 -14.779 18.878 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.085 -12.472 18.038 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.558 -13.178 17.457 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.962 -13.075 16.368 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.016 -13.887 18.509 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.999 -14.551 16.858 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.939 -15.648 18.258 1.00 0.00 H new ATOM 469 N GLY A 33 -5.863 -17.730 16.911 1.00 0.00 N ATOM 470 CA GLY A 33 -6.233 -19.066 17.321 1.00 0.00 C ATOM 471 C GLY A 33 -5.452 -20.109 16.564 1.00 0.00 C ATOM 472 O GLY A 33 -5.343 -21.249 16.996 1.00 0.00 O ATOM 0 H GLY A 33 -6.428 -17.336 16.159 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.057 -19.182 18.390 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.300 -19.217 17.156 1.00 0.00 H new ATOM 476 N SER A 34 -4.903 -19.715 15.434 1.00 0.00 N ATOM 477 CA SER A 34 -4.102 -20.606 14.637 1.00 0.00 C ATOM 478 C SER A 34 -2.651 -20.485 15.112 1.00 0.00 C ATOM 479 O SER A 34 -1.980 -21.485 15.388 1.00 0.00 O ATOM 480 CB SER A 34 -4.249 -20.262 13.143 1.00 0.00 C ATOM 481 OG SER A 34 -3.599 -21.211 12.311 1.00 0.00 O ATOM 0 H SER A 34 -5.001 -18.776 15.049 1.00 0.00 H new ATOM 0 HA SER A 34 -4.433 -21.638 14.756 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.307 -20.217 12.884 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.833 -19.272 12.957 1.00 0.00 H new ATOM 0 HG SER A 34 -3.717 -20.958 11.372 1.00 0.00 H new ATOM 487 N ASN A 35 -2.181 -19.265 15.229 1.00 0.00 N ATOM 488 CA ASN A 35 -0.876 -19.009 15.777 1.00 0.00 C ATOM 489 C ASN A 35 -1.030 -18.552 17.178 1.00 0.00 C ATOM 490 O ASN A 35 -1.189 -17.354 17.453 1.00 0.00 O ATOM 491 CB ASN A 35 -0.033 -18.031 14.943 1.00 0.00 C ATOM 492 CG ASN A 35 0.479 -18.625 13.635 1.00 0.00 C ATOM 493 OD1 ASN A 35 0.768 -19.911 13.628 1.00 0.00 O flip ATOM 494 ND2 ASN A 35 0.643 -17.911 12.638 1.00 0.00 N flip ATOM 0 H ASN A 35 -2.692 -18.428 14.948 1.00 0.00 H new ATOM 0 HA ASN A 35 -0.313 -19.942 15.750 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.631 -17.147 14.721 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.817 -17.699 15.538 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.409 -16.919 12.677 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.012 -18.314 11.777 1.00 0.00 H new ATOM 501 N THR A 36 -1.051 -19.514 18.051 1.00 0.00 N ATOM 502 CA THR A 36 -1.283 -19.315 19.433 1.00 0.00 C ATOM 503 C THR A 36 -0.088 -18.722 20.177 1.00 0.00 C ATOM 504 O THR A 36 0.827 -19.436 20.615 1.00 0.00 O ATOM 505 CB THR A 36 -1.756 -20.626 20.062 1.00 0.00 C ATOM 506 OG1 THR A 36 -0.999 -21.733 19.490 1.00 0.00 O ATOM 507 CG2 THR A 36 -3.238 -20.831 19.803 1.00 0.00 C ATOM 0 H THR A 36 -0.900 -20.492 17.802 1.00 0.00 H new ATOM 0 HA THR A 36 -2.067 -18.564 19.529 1.00 0.00 H new ATOM 0 HB THR A 36 -1.593 -20.585 21.139 1.00 0.00 H new ATOM 0 HG1 THR A 36 -0.040 -21.546 19.565 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.560 -21.768 20.257 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.801 -20.005 20.238 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.418 -20.867 18.729 1.00 0.00 H new HETATM 515 N TYC A 37 -0.058 -17.422 20.202 1.00 0.00 N HETATM 516 CA TYC A 37 0.901 -16.658 20.965 1.00 0.00 C HETATM 517 C TYC A 37 0.194 -15.910 22.091 1.00 0.00 C HETATM 518 O TYC A 37 0.169 -16.360 23.230 1.00 0.00 O HETATM 519 CB TYC A 37 1.680 -15.685 20.074 1.00 0.00 C HETATM 520 CG TYC A 37 2.697 -16.344 19.180 1.00 0.00 C HETATM 521 CD1 TYC A 37 4.004 -16.482 19.603 1.00 0.00 C HETATM 522 CD2 TYC A 37 2.365 -16.813 17.921 1.00 0.00 C HETATM 523 CE1 TYC A 37 4.956 -17.061 18.807 1.00 0.00 C HETATM 524 CE2 TYC A 37 3.314 -17.403 17.114 1.00 0.00 C HETATM 525 OH TYC A 37 5.587 -18.092 16.772 1.00 0.00 O HETATM 526 CZ TYC A 37 4.615 -17.521 17.569 1.00 0.00 C HETATM 527 NXT TYC A 37 -0.395 -14.783 21.773 1.00 0.00 N HETATM 0 HT22 TYC A 37 -0.882 -14.243 22.488 1.00 0.00 H new HETATM 0 HT21 TYC A 37 -0.366 -14.446 20.811 1.00 0.00 H new HETATM 0 HH TYC A 37 5.189 -18.372 15.921 1.00 0.00 H new HETATM 0 HE2 TYC A 37 3.042 -17.773 16.126 1.00 0.00 H new HETATM 0 HE1 TYC A 37 5.983 -17.154 19.161 1.00 0.00 H new HETATM 0 HD2 TYC A 37 1.340 -16.715 17.563 1.00 0.00 H new HETATM 0 HD1 TYC A 37 4.284 -16.122 20.593 1.00 0.00 H new HETATM 0 HB2 TYC A 37 0.973 -15.132 19.455 1.00 0.00 H new HETATM 0 HB1 TYC A 37 2.187 -14.957 20.707 1.00 0.00 H new HETATM 0 HA TYC A 37 1.622 -17.352 21.398 1.00 0.00 H new TER 539 TYC A 37