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 29 SER OG : rot -149:sc= -2.57! USER MOD Set 1.2: A 35 ASN : amide:sc= -0.664 K(o=-3.2,f=-4.3) USER MOD Set 2.1: A 9 THR OG1 : rot -134:sc= 1.31 USER MOD Set 2.2: A 10 GLN : amide:sc= 0.0557 X(o=1.4,f=0.96) USER MOD Single : A 1 LYS N :NH3+ -137:sc= 0.164 (180deg=-0.0387) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0216 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.39! C(o=-1.4!,f=-1.8!) USER MOD Single : A 18 HIS :FLIP no HD1:sc= -0.527 F(o=-2.2!,f=-0.53) USER MOD Single : A 19 SER OG : rot 175:sc= 0.886 USER MOD Single : A 20 SER OG : rot 180:sc= 0.121 USER MOD Single : A 21 ASN : amide:sc= -0.0482 K(o=-0.048,f=-1.1) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.0414 F(o=-1.4!,f=-0.041) USER MOD Single : A 28 SER OG : rot 180:sc= -0.892 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.908 K(o=-0.91,f=-5.2!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.158 USER MOD Single : A 37 TYC OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 11.134 6.157 9.648 1.00 0.00 N ATOM 2 CA LYS A 1 10.534 5.963 8.340 1.00 0.00 C ATOM 3 C LYS A 1 11.480 6.563 7.325 1.00 0.00 C ATOM 4 O LYS A 1 12.494 7.155 7.707 1.00 0.00 O ATOM 5 CB LYS A 1 9.174 6.682 8.252 1.00 0.00 C ATOM 6 CG LYS A 1 8.148 6.314 9.324 1.00 0.00 C ATOM 7 CD LYS A 1 7.721 4.856 9.291 1.00 0.00 C ATOM 8 CE LYS A 1 6.635 4.617 10.336 1.00 0.00 C ATOM 9 NZ LYS A 1 6.175 3.213 10.389 1.00 0.00 N ATOM 0 H1 LYS A 1 11.030 5.288 10.210 1.00 0.00 H new ATOM 0 H2 LYS A 1 12.144 6.379 9.537 1.00 0.00 H new ATOM 0 H3 LYS A 1 10.658 6.943 10.135 1.00 0.00 H new ATOM 0 HA LYS A 1 10.368 4.902 8.157 1.00 0.00 H new ATOM 0 HB2 LYS A 1 9.350 7.757 8.300 1.00 0.00 H new ATOM 0 HB3 LYS A 1 8.739 6.474 7.275 1.00 0.00 H new ATOM 0 HG2 LYS A 1 8.566 6.538 10.305 1.00 0.00 H new ATOM 0 HG3 LYS A 1 7.267 6.944 9.201 1.00 0.00 H new ATOM 0 HD2 LYS A 1 7.349 4.598 8.300 1.00 0.00 H new ATOM 0 HD3 LYS A 1 8.577 4.211 9.488 1.00 0.00 H new ATOM 0 HE2 LYS A 1 7.014 4.905 11.316 1.00 0.00 H new ATOM 0 HE3 LYS A 1 5.784 5.263 10.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 5.439 3.116 11.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 5.785 2.940 9.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 6.977 2.594 10.623 1.00 0.00 H new ATOM 25 N CYS A 2 11.180 6.414 6.069 1.00 0.00 N ATOM 26 CA CYS A 2 11.983 6.988 5.027 1.00 0.00 C ATOM 27 C CYS A 2 11.111 7.392 3.856 1.00 0.00 C ATOM 28 O CYS A 2 10.050 6.807 3.635 1.00 0.00 O ATOM 29 CB CYS A 2 13.088 6.032 4.603 1.00 0.00 C ATOM 30 SG CYS A 2 12.537 4.336 4.240 1.00 0.00 S ATOM 0 H CYS A 2 10.370 5.890 5.736 1.00 0.00 H new ATOM 0 HA CYS A 2 12.465 7.887 5.411 1.00 0.00 H new ATOM 0 HB2 CYS A 2 13.578 6.436 3.717 1.00 0.00 H new ATOM 0 HB3 CYS A 2 13.838 5.993 5.393 1.00 0.00 H new ATOM 35 N ASN A 3 11.558 8.382 3.118 1.00 0.00 N ATOM 36 CA ASN A 3 10.785 8.970 2.015 1.00 0.00 C ATOM 37 C ASN A 3 11.680 9.271 0.844 1.00 0.00 C ATOM 38 O ASN A 3 11.355 10.088 -0.010 1.00 0.00 O ATOM 39 CB ASN A 3 10.078 10.274 2.448 1.00 0.00 C ATOM 40 CG ASN A 3 8.897 10.064 3.375 1.00 0.00 C ATOM 41 OD1 ASN A 3 7.764 9.894 2.927 1.00 0.00 O ATOM 42 ND2 ASN A 3 9.133 10.091 4.652 1.00 0.00 N ATOM 0 H ASN A 3 12.472 8.814 3.256 1.00 0.00 H new ATOM 0 HA ASN A 3 10.030 8.238 1.728 1.00 0.00 H new ATOM 0 HB2 ASN A 3 10.803 10.920 2.943 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.737 10.802 1.557 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.367 9.969 5.315 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.084 10.234 4.992 1.00 0.00 H new ATOM 49 N THR A 4 12.785 8.594 0.769 1.00 0.00 N ATOM 50 CA THR A 4 13.695 8.804 -0.318 1.00 0.00 C ATOM 51 C THR A 4 13.479 7.716 -1.351 1.00 0.00 C ATOM 52 O THR A 4 12.968 6.635 -1.024 1.00 0.00 O ATOM 53 CB THR A 4 15.189 8.815 0.162 1.00 0.00 C ATOM 54 OG1 THR A 4 16.064 8.989 -0.948 1.00 0.00 O ATOM 55 CG2 THR A 4 15.559 7.526 0.871 1.00 0.00 C ATOM 0 H THR A 4 13.080 7.891 1.447 1.00 0.00 H new ATOM 0 HA THR A 4 13.496 9.782 -0.755 1.00 0.00 H new ATOM 0 HB THR A 4 15.295 9.645 0.860 1.00 0.00 H new ATOM 0 HG1 THR A 4 16.993 8.996 -0.635 1.00 0.00 H new ATOM 0 HG21 THR A 4 16.601 7.571 1.188 1.00 0.00 H new ATOM 0 HG22 THR A 4 14.919 7.394 1.744 1.00 0.00 H new ATOM 0 HG23 THR A 4 15.423 6.685 0.191 1.00 0.00 H new ATOM 63 N ALA A 5 13.884 7.991 -2.573 1.00 0.00 N ATOM 64 CA ALA A 5 13.725 7.093 -3.714 1.00 0.00 C ATOM 65 C ALA A 5 14.517 5.815 -3.513 1.00 0.00 C ATOM 66 O ALA A 5 14.295 4.826 -4.171 1.00 0.00 O ATOM 67 CB ALA A 5 14.151 7.784 -4.996 1.00 0.00 C ATOM 0 H ALA A 5 14.346 8.868 -2.814 1.00 0.00 H new ATOM 0 HA ALA A 5 12.670 6.830 -3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 5 14.026 7.101 -5.836 1.00 0.00 H new ATOM 0 HB2 ALA A 5 13.536 8.670 -5.154 1.00 0.00 H new ATOM 0 HB3 ALA A 5 15.198 8.078 -4.920 1.00 0.00 H new ATOM 73 N THR A 6 15.456 5.868 -2.624 1.00 0.00 N ATOM 74 CA THR A 6 16.260 4.733 -2.302 1.00 0.00 C ATOM 75 C THR A 6 15.554 3.815 -1.264 1.00 0.00 C ATOM 76 O THR A 6 15.856 2.626 -1.163 1.00 0.00 O ATOM 77 CB THR A 6 17.587 5.247 -1.725 1.00 0.00 C ATOM 78 OG1 THR A 6 18.174 6.164 -2.659 1.00 0.00 O ATOM 79 CG2 THR A 6 18.544 4.112 -1.438 1.00 0.00 C ATOM 0 H THR A 6 15.689 6.709 -2.096 1.00 0.00 H new ATOM 0 HA THR A 6 16.428 4.140 -3.201 1.00 0.00 H new ATOM 0 HB THR A 6 17.386 5.751 -0.780 1.00 0.00 H new ATOM 0 HG1 THR A 6 19.022 6.500 -2.299 1.00 0.00 H new ATOM 0 HG21 THR A 6 19.472 4.513 -1.031 1.00 0.00 H new ATOM 0 HG22 THR A 6 18.095 3.431 -0.715 1.00 0.00 H new ATOM 0 HG23 THR A 6 18.756 3.572 -2.361 1.00 0.00 H new ATOM 87 N CYS A 7 14.563 4.341 -0.570 1.00 0.00 N ATOM 88 CA CYS A 7 14.035 3.632 0.588 1.00 0.00 C ATOM 89 C CYS A 7 12.553 3.440 0.519 1.00 0.00 C ATOM 90 O CYS A 7 12.043 2.374 0.830 1.00 0.00 O ATOM 91 CB CYS A 7 14.321 4.433 1.798 1.00 0.00 C ATOM 92 SG CYS A 7 14.164 3.520 3.374 1.00 0.00 S ATOM 0 H CYS A 7 14.114 5.233 -0.777 1.00 0.00 H new ATOM 0 HA CYS A 7 14.509 2.651 0.613 1.00 0.00 H new ATOM 0 HB2 CYS A 7 15.333 4.830 1.723 1.00 0.00 H new ATOM 0 HB3 CYS A 7 13.644 5.287 1.820 1.00 0.00 H new ATOM 97 N ALA A 8 11.843 4.472 0.107 1.00 0.00 N ATOM 98 CA ALA A 8 10.403 4.418 0.040 1.00 0.00 C ATOM 99 C ALA A 8 9.998 3.411 -1.004 1.00 0.00 C ATOM 100 O ALA A 8 8.944 2.810 -0.935 1.00 0.00 O ATOM 101 CB ALA A 8 9.838 5.782 -0.268 1.00 0.00 C ATOM 0 H ALA A 8 12.247 5.361 -0.187 1.00 0.00 H new ATOM 0 HA ALA A 8 10.001 4.108 1.005 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.751 5.723 -0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.130 6.482 0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.224 6.128 -1.227 1.00 0.00 H new ATOM 107 N THR A 9 10.893 3.200 -1.937 1.00 0.00 N ATOM 108 CA THR A 9 10.715 2.216 -2.987 1.00 0.00 C ATOM 109 C THR A 9 10.754 0.795 -2.414 1.00 0.00 C ATOM 110 O THR A 9 10.105 -0.126 -2.907 1.00 0.00 O ATOM 111 CB THR A 9 11.794 2.395 -4.017 1.00 0.00 C ATOM 112 OG1 THR A 9 13.035 2.589 -3.308 1.00 0.00 O ATOM 113 CG2 THR A 9 11.498 3.605 -4.890 1.00 0.00 C ATOM 0 H THR A 9 11.775 3.709 -1.993 1.00 0.00 H new ATOM 0 HA THR A 9 9.740 2.362 -3.451 1.00 0.00 H new ATOM 0 HB THR A 9 11.850 1.522 -4.667 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.521 3.345 -3.699 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.289 3.721 -5.631 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.544 3.463 -5.397 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.449 4.499 -4.268 1.00 0.00 H new ATOM 121 N GLN A 10 11.534 0.649 -1.381 1.00 0.00 N ATOM 122 CA GLN A 10 11.688 -0.598 -0.662 1.00 0.00 C ATOM 123 C GLN A 10 10.450 -0.803 0.174 1.00 0.00 C ATOM 124 O GLN A 10 9.963 -1.906 0.341 1.00 0.00 O ATOM 125 CB GLN A 10 12.923 -0.561 0.240 1.00 0.00 C ATOM 126 CG GLN A 10 14.177 -0.062 -0.444 1.00 0.00 C ATOM 127 CD GLN A 10 14.544 -0.827 -1.691 1.00 0.00 C ATOM 128 OE1 GLN A 10 14.294 -2.028 -1.823 1.00 0.00 O ATOM 129 NE2 GLN A 10 15.104 -0.135 -2.621 1.00 0.00 N ATOM 0 H GLN A 10 12.098 1.409 -1.000 1.00 0.00 H new ATOM 0 HA GLN A 10 11.819 -1.417 -1.369 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.713 0.077 1.099 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.108 -1.564 0.625 1.00 0.00 H new ATOM 0 HG2 GLN A 10 14.044 0.989 -0.701 1.00 0.00 H new ATOM 0 HG3 GLN A 10 15.008 -0.115 0.260 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.295 0.856 -2.475 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.357 -0.578 -3.504 1.00 0.00 H new ATOM 138 N ARG A 11 9.926 0.301 0.675 1.00 0.00 N ATOM 139 CA ARG A 11 8.689 0.278 1.450 1.00 0.00 C ATOM 140 C ARG A 11 7.554 -0.100 0.526 1.00 0.00 C ATOM 141 O ARG A 11 6.615 -0.774 0.920 1.00 0.00 O ATOM 142 CB ARG A 11 8.402 1.630 2.112 1.00 0.00 C ATOM 143 CG ARG A 11 9.566 2.202 2.917 1.00 0.00 C ATOM 144 CD ARG A 11 10.118 1.207 3.918 1.00 0.00 C ATOM 145 NE ARG A 11 9.107 0.749 4.875 1.00 0.00 N ATOM 146 CZ ARG A 11 8.994 -0.494 5.353 1.00 0.00 C ATOM 147 NH1 ARG A 11 9.816 -1.446 4.942 1.00 0.00 N ATOM 148 NH2 ARG A 11 8.054 -0.774 6.240 1.00 0.00 N ATOM 0 H ARG A 11 10.335 1.228 0.561 1.00 0.00 H new ATOM 0 HA ARG A 11 8.792 -0.453 2.252 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.125 2.347 1.339 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.540 1.522 2.770 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.360 2.507 2.236 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.235 3.098 3.443 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.523 0.347 3.384 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.945 1.664 4.461 1.00 0.00 H new ATOM 0 HE ARG A 11 8.431 1.438 5.205 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.541 -1.233 4.257 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.725 -2.393 5.311 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.418 -0.042 6.557 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.965 -1.722 6.607 1.00 0.00 H new ATOM 162 N LEU A 12 7.668 0.340 -0.714 1.00 0.00 N ATOM 163 CA LEU A 12 6.788 -0.050 -1.778 1.00 0.00 C ATOM 164 C LEU A 12 6.913 -1.541 -2.027 1.00 0.00 C ATOM 165 O LEU A 12 5.920 -2.237 -2.206 1.00 0.00 O ATOM 166 CB LEU A 12 7.157 0.719 -3.037 1.00 0.00 C ATOM 167 CG LEU A 12 6.735 2.196 -3.109 1.00 0.00 C ATOM 168 CD1 LEU A 12 7.124 2.799 -4.451 1.00 0.00 C ATOM 169 CD2 LEU A 12 5.232 2.346 -2.880 1.00 0.00 C ATOM 0 H LEU A 12 8.395 0.993 -1.006 1.00 0.00 H new ATOM 0 HA LEU A 12 5.758 0.176 -1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.239 0.671 -3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.719 0.201 -3.890 1.00 0.00 H new ATOM 0 HG LEU A 12 7.259 2.734 -2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.817 3.844 -4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.204 2.734 -4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.629 2.251 -5.253 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.959 3.400 -2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.690 1.790 -3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.973 1.956 -1.896 1.00 0.00 H new ATOM 181 N ALA A 13 8.136 -2.034 -1.983 1.00 0.00 N ATOM 182 CA ALA A 13 8.400 -3.441 -2.172 1.00 0.00 C ATOM 183 C ALA A 13 7.752 -4.257 -1.052 1.00 0.00 C ATOM 184 O ALA A 13 7.265 -5.358 -1.271 1.00 0.00 O ATOM 185 CB ALA A 13 9.894 -3.720 -2.253 1.00 0.00 C ATOM 0 H ALA A 13 8.969 -1.470 -1.816 1.00 0.00 H new ATOM 0 HA ALA A 13 7.960 -3.743 -3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.057 -4.788 -2.395 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.321 -3.172 -3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.375 -3.399 -1.329 1.00 0.00 H new ATOM 191 N ASN A 14 7.707 -3.671 0.139 1.00 0.00 N ATOM 192 CA ASN A 14 7.088 -4.303 1.325 1.00 0.00 C ATOM 193 C ASN A 14 5.586 -4.128 1.311 1.00 0.00 C ATOM 194 O ASN A 14 4.863 -4.756 2.085 1.00 0.00 O ATOM 195 CB ASN A 14 7.620 -3.712 2.640 1.00 0.00 C ATOM 196 CG ASN A 14 9.060 -4.073 2.991 1.00 0.00 C ATOM 197 OD1 ASN A 14 9.422 -4.142 4.171 1.00 0.00 O ATOM 198 ND2 ASN A 14 9.888 -4.275 2.007 1.00 0.00 N ATOM 0 H ASN A 14 8.095 -2.745 0.322 1.00 0.00 H new ATOM 0 HA ASN A 14 7.349 -5.360 1.274 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.539 -2.626 2.588 1.00 0.00 H new ATOM 0 HB3 ASN A 14 6.973 -4.042 3.453 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.865 -4.497 2.200 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.560 -4.211 1.043 1.00 0.00 H new ATOM 205 N PHE A 15 5.106 -3.330 0.397 1.00 0.00 N ATOM 206 CA PHE A 15 3.728 -3.003 0.325 1.00 0.00 C ATOM 207 C PHE A 15 3.052 -4.041 -0.517 1.00 0.00 C ATOM 208 O PHE A 15 1.855 -4.296 -0.388 1.00 0.00 O ATOM 209 CB PHE A 15 3.592 -1.561 -0.237 1.00 0.00 C ATOM 210 CG PHE A 15 2.519 -1.320 -1.269 1.00 0.00 C ATOM 211 CD1 PHE A 15 2.806 -1.480 -2.617 1.00 0.00 C ATOM 212 CD2 PHE A 15 1.244 -0.924 -0.903 1.00 0.00 C ATOM 213 CE1 PHE A 15 1.855 -1.256 -3.577 1.00 0.00 C ATOM 214 CE2 PHE A 15 0.276 -0.697 -1.864 1.00 0.00 C ATOM 215 CZ PHE A 15 0.582 -0.862 -3.204 1.00 0.00 C ATOM 0 H PHE A 15 5.677 -2.888 -0.323 1.00 0.00 H new ATOM 0 HA PHE A 15 3.244 -3.008 1.302 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.411 -0.888 0.601 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.550 -1.277 -0.673 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.798 -1.787 -2.915 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.003 -0.791 0.141 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.098 -1.386 -4.621 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.717 -0.391 -1.570 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.171 -0.684 -3.957 1.00 0.00 H new ATOM 225 N LEU A 16 3.842 -4.692 -1.336 1.00 0.00 N ATOM 226 CA LEU A 16 3.334 -5.645 -2.225 1.00 0.00 C ATOM 227 C LEU A 16 4.111 -6.970 -2.131 1.00 0.00 C ATOM 228 O LEU A 16 3.970 -7.858 -2.961 1.00 0.00 O ATOM 229 CB LEU A 16 3.384 -5.029 -3.607 1.00 0.00 C ATOM 230 CG LEU A 16 4.506 -5.402 -4.597 1.00 0.00 C ATOM 231 CD1 LEU A 16 4.130 -4.918 -5.977 1.00 0.00 C ATOM 232 CD2 LEU A 16 5.811 -4.758 -4.201 1.00 0.00 C ATOM 0 H LEU A 16 4.852 -4.559 -1.386 1.00 0.00 H new ATOM 0 HA LEU A 16 2.305 -5.905 -1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.437 -5.259 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.420 -3.948 -3.475 1.00 0.00 H new ATOM 0 HG LEU A 16 4.628 -6.485 -4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.920 -5.179 -6.682 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.197 -5.390 -6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.001 -3.836 -5.960 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.586 -5.037 -4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.695 -3.674 -4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.097 -5.097 -3.205 1.00 0.00 H new ATOM 244 N VAL A 17 4.851 -7.107 -1.050 1.00 0.00 N ATOM 245 CA VAL A 17 5.784 -8.220 -0.862 1.00 0.00 C ATOM 246 C VAL A 17 5.095 -9.595 -0.731 1.00 0.00 C ATOM 247 O VAL A 17 5.331 -10.483 -1.524 1.00 0.00 O ATOM 248 CB VAL A 17 6.788 -7.934 0.302 1.00 0.00 C ATOM 249 CG1 VAL A 17 6.121 -7.824 1.673 1.00 0.00 C ATOM 250 CG2 VAL A 17 7.957 -8.902 0.294 1.00 0.00 C ATOM 0 H VAL A 17 4.829 -6.452 -0.269 1.00 0.00 H new ATOM 0 HA VAL A 17 6.364 -8.288 -1.783 1.00 0.00 H new ATOM 0 HB VAL A 17 7.196 -6.942 0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.878 -7.625 2.431 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.397 -7.009 1.661 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.611 -8.759 1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.630 -8.667 1.119 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.586 -9.921 0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.496 -8.814 -0.649 1.00 0.00 H new ATOM 260 N HIS A 18 4.263 -9.748 0.254 1.00 0.00 N ATOM 261 CA HIS A 18 3.505 -10.990 0.462 1.00 0.00 C ATOM 262 C HIS A 18 2.069 -10.621 0.490 1.00 0.00 C ATOM 263 O HIS A 18 1.200 -11.406 0.849 1.00 0.00 O ATOM 264 CB HIS A 18 3.868 -11.714 1.780 1.00 0.00 C ATOM 265 CG HIS A 18 5.250 -12.259 1.850 1.00 0.00 C ATOM 266 ND1 HIS A 18 6.408 -11.635 1.758 1.00 0.00 N flip ATOM 267 CD2 HIS A 18 5.548 -13.579 2.090 1.00 0.00 C flip ATOM 268 CE1 HIS A 18 7.397 -12.550 1.940 1.00 0.00 C flip ATOM 269 NE2 HIS A 18 6.852 -13.723 2.140 1.00 0.00 N flip ATOM 0 H HIS A 18 4.075 -9.026 0.950 1.00 0.00 H new ATOM 0 HA HIS A 18 3.746 -11.682 -0.345 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.728 -11.018 2.607 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.165 -12.533 1.930 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.825 -14.371 2.217 1.00 0.00 H new ATOM 0 HE1 HIS A 18 8.457 -12.343 1.922 1.00 0.00 H new ATOM 0 HE2 HIS A 18 7.353 -14.596 2.306 1.00 0.00 H new ATOM 278 N SER A 19 1.824 -9.415 0.047 1.00 0.00 N ATOM 279 CA SER A 19 0.526 -8.838 0.019 1.00 0.00 C ATOM 280 C SER A 19 -0.269 -9.404 -1.159 1.00 0.00 C ATOM 281 O SER A 19 -1.406 -9.053 -1.345 1.00 0.00 O ATOM 282 CB SER A 19 0.683 -7.344 -0.157 1.00 0.00 C ATOM 283 OG SER A 19 1.679 -6.829 0.713 1.00 0.00 O ATOM 0 H SER A 19 2.552 -8.797 -0.313 1.00 0.00 H new ATOM 0 HA SER A 19 -0.005 -9.064 0.944 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.949 -7.122 -1.191 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.268 -6.849 0.041 1.00 0.00 H new ATOM 0 HG SER A 19 1.814 -5.876 0.528 1.00 0.00 H new ATOM 289 N SER A 20 0.361 -10.329 -1.903 1.00 0.00 N ATOM 290 CA SER A 20 -0.149 -10.960 -3.134 1.00 0.00 C ATOM 291 C SER A 20 -1.577 -11.493 -2.947 1.00 0.00 C ATOM 292 O SER A 20 -2.429 -11.408 -3.831 1.00 0.00 O ATOM 293 CB SER A 20 0.784 -12.114 -3.430 1.00 0.00 C ATOM 294 OG SER A 20 2.138 -11.713 -3.179 1.00 0.00 O ATOM 0 H SER A 20 1.287 -10.675 -1.650 1.00 0.00 H new ATOM 0 HA SER A 20 -0.184 -10.233 -3.946 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.527 -12.972 -2.809 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.673 -12.428 -4.468 1.00 0.00 H new ATOM 0 HG SER A 20 2.741 -12.461 -3.369 1.00 0.00 H new ATOM 300 N ASN A 21 -1.824 -11.931 -1.749 1.00 0.00 N ATOM 301 CA ASN A 21 -3.095 -12.516 -1.317 1.00 0.00 C ATOM 302 C ASN A 21 -4.200 -11.475 -1.253 1.00 0.00 C ATOM 303 O ASN A 21 -5.385 -11.781 -1.256 1.00 0.00 O ATOM 304 CB ASN A 21 -2.924 -13.179 0.044 1.00 0.00 C ATOM 305 CG ASN A 21 -2.317 -14.569 -0.032 1.00 0.00 C ATOM 306 OD1 ASN A 21 -2.516 -15.304 -1.003 1.00 0.00 O ATOM 307 ND2 ASN A 21 -1.562 -14.932 0.966 1.00 0.00 N ATOM 0 H ASN A 21 -1.129 -11.897 -1.003 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.386 -13.264 -2.055 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.292 -12.549 0.670 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.896 -13.242 0.534 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.114 -15.849 0.960 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.419 -14.300 1.753 1.00 0.00 H new ATOM 314 N ASN A 22 -3.819 -10.255 -1.216 1.00 0.00 N ATOM 315 CA ASN A 22 -4.742 -9.159 -1.150 1.00 0.00 C ATOM 316 C ASN A 22 -4.424 -8.200 -2.270 1.00 0.00 C ATOM 317 O ASN A 22 -4.927 -7.086 -2.353 1.00 0.00 O ATOM 318 CB ASN A 22 -4.652 -8.508 0.226 1.00 0.00 C ATOM 319 CG ASN A 22 -5.215 -9.388 1.351 1.00 0.00 C ATOM 320 OD1 ASN A 22 -6.146 -10.274 1.030 1.00 0.00 O flip ATOM 321 ND2 ASN A 22 -4.789 -9.276 2.504 1.00 0.00 N flip ATOM 0 H ASN A 22 -2.839 -9.971 -1.230 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.771 -9.495 -1.278 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.609 -8.275 0.443 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.193 -7.562 0.209 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.071 -8.583 2.718 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.155 -9.876 3.243 1.00 0.00 H new ATOM 328 N PHE A 23 -3.638 -8.711 -3.169 1.00 0.00 N ATOM 329 CA PHE A 23 -3.162 -8.040 -4.337 1.00 0.00 C ATOM 330 C PHE A 23 -3.633 -8.757 -5.572 1.00 0.00 C ATOM 331 O PHE A 23 -3.015 -8.701 -6.628 1.00 0.00 O ATOM 332 CB PHE A 23 -1.664 -8.026 -4.252 1.00 0.00 C ATOM 333 CG PHE A 23 -1.148 -6.699 -3.898 1.00 0.00 C ATOM 334 CD1 PHE A 23 -0.451 -5.928 -4.798 1.00 0.00 C ATOM 335 CD2 PHE A 23 -1.405 -6.201 -2.652 1.00 0.00 C ATOM 336 CE1 PHE A 23 -0.016 -4.673 -4.441 1.00 0.00 C ATOM 337 CE2 PHE A 23 -0.983 -4.975 -2.282 1.00 0.00 C ATOM 338 CZ PHE A 23 -0.283 -4.195 -3.172 1.00 0.00 C ATOM 0 H PHE A 23 -3.291 -9.668 -3.100 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.545 -7.021 -4.395 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.336 -8.753 -3.509 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.243 -8.336 -5.209 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.245 -6.309 -5.787 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.959 -6.803 -1.947 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.530 -4.065 -5.147 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.194 -4.607 -1.289 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.057 -3.212 -2.880 1.00 0.00 H new ATOM 348 N GLY A 24 -4.763 -9.367 -5.438 1.00 0.00 N ATOM 349 CA GLY A 24 -5.341 -10.118 -6.505 1.00 0.00 C ATOM 350 C GLY A 24 -5.329 -11.568 -6.239 1.00 0.00 C ATOM 351 O GLY A 24 -4.775 -12.350 -6.989 1.00 0.00 O ATOM 0 H GLY A 24 -5.316 -9.359 -4.581 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.368 -9.788 -6.664 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.795 -9.915 -7.426 1.00 0.00 H new ATOM 355 N ALA A 25 -5.915 -11.917 -5.139 1.00 0.00 N ATOM 356 CA ALA A 25 -6.174 -13.283 -4.806 1.00 0.00 C ATOM 357 C ALA A 25 -7.646 -13.373 -4.690 1.00 0.00 C ATOM 358 O ALA A 25 -8.322 -14.067 -5.455 1.00 0.00 O ATOM 359 CB ALA A 25 -5.493 -13.654 -3.513 1.00 0.00 C ATOM 0 H ALA A 25 -6.233 -11.251 -4.435 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.788 -13.974 -5.555 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.703 -14.697 -3.278 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.417 -13.514 -3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.866 -13.019 -2.710 1.00 0.00 H new ATOM 365 N ILE A 26 -8.129 -12.572 -3.796 1.00 0.00 N ATOM 366 CA ILE A 26 -9.512 -12.350 -3.590 1.00 0.00 C ATOM 367 C ILE A 26 -10.069 -11.531 -4.769 1.00 0.00 C ATOM 368 O ILE A 26 -11.152 -11.815 -5.282 1.00 0.00 O ATOM 369 CB ILE A 26 -9.763 -11.652 -2.215 1.00 0.00 C ATOM 370 CG1 ILE A 26 -11.146 -11.042 -2.164 1.00 0.00 C ATOM 371 CG2 ILE A 26 -8.687 -10.610 -1.905 1.00 0.00 C ATOM 372 CD1 ILE A 26 -11.487 -10.346 -0.856 1.00 0.00 C ATOM 0 H ILE A 26 -7.537 -12.033 -3.164 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.039 -13.303 -3.554 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.703 -12.418 -1.442 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.241 -10.323 -2.978 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.881 -11.827 -2.344 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.896 -10.147 -0.941 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.711 -11.094 -1.871 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.686 -9.846 -2.682 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -12.497 -9.940 -0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.429 -11.063 -0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.780 -9.536 -0.680 1.00 0.00 H new ATOM 384 N LEU A 27 -9.268 -10.559 -5.225 1.00 0.00 N ATOM 385 CA LEU A 27 -9.596 -9.739 -6.387 1.00 0.00 C ATOM 386 C LEU A 27 -9.623 -10.592 -7.632 1.00 0.00 C ATOM 387 O LEU A 27 -10.507 -10.476 -8.453 1.00 0.00 O ATOM 388 CB LEU A 27 -8.562 -8.584 -6.489 1.00 0.00 C ATOM 389 CG LEU A 27 -8.012 -8.150 -7.862 1.00 0.00 C ATOM 390 CD1 LEU A 27 -9.068 -7.561 -8.742 1.00 0.00 C ATOM 391 CD2 LEU A 27 -6.866 -7.165 -7.693 1.00 0.00 C ATOM 0 H LEU A 27 -8.374 -10.323 -4.794 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.589 -9.302 -6.280 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.014 -7.705 -6.030 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.707 -8.861 -5.872 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.645 -9.052 -8.352 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.627 -7.272 -9.696 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.852 -8.299 -8.913 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.495 -6.682 -8.259 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.492 -6.871 -8.673 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.220 -6.283 -7.160 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.064 -7.635 -7.124 1.00 0.00 H new ATOM 403 N SER A 28 -8.662 -11.460 -7.738 1.00 0.00 N ATOM 404 CA SER A 28 -8.569 -12.331 -8.888 1.00 0.00 C ATOM 405 C SER A 28 -9.680 -13.402 -8.852 1.00 0.00 C ATOM 406 O SER A 28 -10.122 -13.885 -9.891 1.00 0.00 O ATOM 407 CB SER A 28 -7.184 -12.965 -8.945 1.00 0.00 C ATOM 408 OG SER A 28 -7.013 -13.745 -10.103 1.00 0.00 O ATOM 0 H SER A 28 -7.926 -11.590 -7.044 1.00 0.00 H new ATOM 0 HA SER A 28 -8.713 -11.743 -9.794 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.425 -12.183 -8.918 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.032 -13.587 -8.063 1.00 0.00 H new ATOM 0 HG SER A 28 -6.113 -14.134 -10.106 1.00 0.00 H new ATOM 414 N SER A 29 -10.062 -13.803 -7.636 1.00 0.00 N ATOM 415 CA SER A 29 -11.164 -14.732 -7.363 1.00 0.00 C ATOM 416 C SER A 29 -10.838 -16.189 -7.731 1.00 0.00 C ATOM 417 O SER A 29 -11.531 -17.143 -7.311 1.00 0.00 O ATOM 418 CB SER A 29 -12.471 -14.221 -7.972 1.00 0.00 C ATOM 419 OG SER A 29 -13.584 -15.021 -7.627 1.00 0.00 O ATOM 0 H SER A 29 -9.598 -13.480 -6.787 1.00 0.00 H new ATOM 0 HA SER A 29 -11.307 -14.758 -6.283 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.647 -13.198 -7.639 1.00 0.00 H new ATOM 0 HB3 SER A 29 -12.374 -14.190 -9.057 1.00 0.00 H new ATOM 0 HG SER A 29 -14.240 -15.000 -8.355 1.00 0.00 H new ATOM 425 N THR A 30 -9.777 -16.381 -8.469 1.00 0.00 N ATOM 426 CA THR A 30 -9.298 -17.696 -8.787 1.00 0.00 C ATOM 427 C THR A 30 -8.750 -18.349 -7.505 1.00 0.00 C ATOM 428 O THR A 30 -8.710 -19.564 -7.385 1.00 0.00 O ATOM 429 CB THR A 30 -8.214 -17.644 -9.913 1.00 0.00 C ATOM 430 OG1 THR A 30 -7.776 -18.961 -10.285 1.00 0.00 O ATOM 431 CG2 THR A 30 -7.025 -16.818 -9.470 1.00 0.00 C ATOM 0 H THR A 30 -9.220 -15.625 -8.867 1.00 0.00 H new ATOM 0 HA THR A 30 -10.120 -18.300 -9.171 1.00 0.00 H new ATOM 0 HB THR A 30 -8.673 -17.177 -10.784 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.100 -18.894 -10.991 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.282 -16.794 -10.267 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.351 -15.802 -9.246 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.585 -17.263 -8.577 1.00 0.00 H new ATOM 439 N ASN A 31 -8.406 -17.526 -6.510 1.00 0.00 N ATOM 440 CA ASN A 31 -7.882 -18.052 -5.257 1.00 0.00 C ATOM 441 C ASN A 31 -8.998 -18.338 -4.298 1.00 0.00 C ATOM 442 O ASN A 31 -8.817 -19.025 -3.303 1.00 0.00 O ATOM 443 CB ASN A 31 -6.868 -17.110 -4.609 1.00 0.00 C ATOM 444 CG ASN A 31 -5.575 -16.958 -5.379 1.00 0.00 C ATOM 445 OD1 ASN A 31 -5.535 -17.060 -6.599 1.00 0.00 O ATOM 446 ND2 ASN A 31 -4.521 -16.699 -4.674 1.00 0.00 N ATOM 0 H ASN A 31 -8.481 -16.510 -6.550 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.362 -18.980 -5.497 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.325 -16.127 -4.493 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.640 -17.475 -3.608 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.619 -16.573 -5.133 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.592 -16.621 -3.659 1.00 0.00 H new ATOM 453 N VAL A 32 -10.155 -17.822 -4.608 1.00 0.00 N ATOM 454 CA VAL A 32 -11.323 -18.034 -3.781 1.00 0.00 C ATOM 455 C VAL A 32 -12.036 -19.303 -4.266 1.00 0.00 C ATOM 456 O VAL A 32 -12.857 -19.901 -3.563 1.00 0.00 O ATOM 457 CB VAL A 32 -12.285 -16.805 -3.847 1.00 0.00 C ATOM 458 CG1 VAL A 32 -13.436 -16.950 -2.869 1.00 0.00 C ATOM 459 CG2 VAL A 32 -11.529 -15.514 -3.574 1.00 0.00 C ATOM 0 H VAL A 32 -10.320 -17.246 -5.433 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.018 -18.153 -2.741 1.00 0.00 H new ATOM 0 HB VAL A 32 -12.697 -16.766 -4.855 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -14.086 -16.078 -2.941 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -14.006 -17.848 -3.108 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.044 -17.028 -1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -12.218 -14.671 -3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.082 -15.557 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.745 -15.387 -4.320 1.00 0.00 H new ATOM 469 N GLY A 33 -11.676 -19.726 -5.463 1.00 0.00 N ATOM 470 CA GLY A 33 -12.268 -20.899 -6.045 1.00 0.00 C ATOM 471 C GLY A 33 -13.502 -20.560 -6.826 1.00 0.00 C ATOM 472 O GLY A 33 -14.370 -21.408 -7.040 1.00 0.00 O ATOM 0 H GLY A 33 -10.975 -19.269 -6.046 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.545 -21.387 -6.698 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.518 -21.611 -5.258 1.00 0.00 H new ATOM 476 N SER A 34 -13.597 -19.325 -7.230 1.00 0.00 N ATOM 477 CA SER A 34 -14.732 -18.875 -7.993 1.00 0.00 C ATOM 478 C SER A 34 -14.337 -18.669 -9.460 1.00 0.00 C ATOM 479 O SER A 34 -15.068 -19.043 -10.384 1.00 0.00 O ATOM 480 CB SER A 34 -15.253 -17.589 -7.379 1.00 0.00 C ATOM 481 OG SER A 34 -15.473 -17.761 -5.983 1.00 0.00 O ATOM 0 H SER A 34 -12.898 -18.606 -7.043 1.00 0.00 H new ATOM 0 HA SER A 34 -15.521 -19.627 -7.968 1.00 0.00 H new ATOM 0 HB2 SER A 34 -14.538 -16.783 -7.545 1.00 0.00 H new ATOM 0 HB3 SER A 34 -16.182 -17.296 -7.867 1.00 0.00 H new ATOM 0 HG SER A 34 -15.807 -16.924 -5.599 1.00 0.00 H new ATOM 487 N ASN A 35 -13.160 -18.116 -9.664 1.00 0.00 N ATOM 488 CA ASN A 35 -12.644 -17.859 -11.009 1.00 0.00 C ATOM 489 C ASN A 35 -11.624 -18.894 -11.417 1.00 0.00 C ATOM 490 O ASN A 35 -10.752 -18.631 -12.251 1.00 0.00 O ATOM 491 CB ASN A 35 -12.058 -16.443 -11.133 1.00 0.00 C ATOM 492 CG ASN A 35 -13.114 -15.357 -11.266 1.00 0.00 C ATOM 493 OD1 ASN A 35 -14.240 -15.494 -10.796 1.00 0.00 O ATOM 494 ND2 ASN A 35 -12.756 -14.269 -11.895 1.00 0.00 N ATOM 0 H ASN A 35 -12.531 -17.830 -8.913 1.00 0.00 H new ATOM 0 HA ASN A 35 -13.491 -17.931 -11.692 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.443 -16.235 -10.257 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.399 -16.406 -12.001 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.420 -13.503 -12.007 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.813 -14.186 -12.274 1.00 0.00 H new ATOM 501 N THR A 36 -11.735 -20.062 -10.836 1.00 0.00 N ATOM 502 CA THR A 36 -10.921 -21.183 -11.191 1.00 0.00 C ATOM 503 C THR A 36 -11.490 -21.843 -12.439 1.00 0.00 C ATOM 504 O THR A 36 -12.464 -22.605 -12.371 1.00 0.00 O ATOM 505 CB THR A 36 -10.888 -22.173 -10.031 1.00 0.00 C ATOM 506 OG1 THR A 36 -12.061 -21.957 -9.212 1.00 0.00 O ATOM 507 CG2 THR A 36 -9.633 -22.000 -9.200 1.00 0.00 C ATOM 0 H THR A 36 -12.405 -20.257 -10.093 1.00 0.00 H new ATOM 0 HA THR A 36 -9.903 -20.853 -11.400 1.00 0.00 H new ATOM 0 HB THR A 36 -10.884 -23.189 -10.425 1.00 0.00 H new ATOM 0 HG1 THR A 36 -12.056 -22.587 -8.461 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.637 -22.719 -8.381 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.756 -22.168 -9.826 1.00 0.00 H new ATOM 0 HG23 THR A 36 -9.601 -20.989 -8.795 1.00 0.00 H new HETATM 515 N TYC A 37 -10.946 -21.484 -13.569 1.00 0.00 N HETATM 516 CA TYC A 37 -11.423 -21.989 -14.823 1.00 0.00 C HETATM 517 C TYC A 37 -10.354 -22.844 -15.468 1.00 0.00 C HETATM 518 O TYC A 37 -10.461 -24.067 -15.496 1.00 0.00 O HETATM 519 CB TYC A 37 -11.859 -20.838 -15.750 1.00 0.00 C HETATM 520 CG TYC A 37 -12.875 -19.892 -15.126 1.00 0.00 C HETATM 521 CD1 TYC A 37 -12.622 -18.532 -15.048 1.00 0.00 C HETATM 522 CD2 TYC A 37 -14.071 -20.365 -14.596 1.00 0.00 C HETATM 523 CE1 TYC A 37 -13.528 -17.668 -14.468 1.00 0.00 C HETATM 524 CE2 TYC A 37 -14.986 -19.507 -14.014 1.00 0.00 C HETATM 525 OH TYC A 37 -15.614 -17.288 -13.370 1.00 0.00 O HETATM 526 CZ TYC A 37 -14.707 -18.159 -13.952 1.00 0.00 C HETATM 527 NXT TYC A 37 -9.322 -22.215 -15.971 1.00 0.00 N HETATM 0 HT22 TYC A 37 -8.572 -22.742 -16.418 1.00 0.00 H new HETATM 0 HT21 TYC A 37 -9.268 -21.198 -15.916 1.00 0.00 H new HETATM 0 HH TYC A 37 -16.395 -17.790 -13.056 1.00 0.00 H new HETATM 0 HE2 TYC A 37 -15.920 -19.894 -13.608 1.00 0.00 H new HETATM 0 HE1 TYC A 37 -13.312 -16.601 -14.418 1.00 0.00 H new HETATM 0 HD2 TYC A 37 -14.291 -21.432 -14.640 1.00 0.00 H new HETATM 0 HD1 TYC A 37 -11.690 -18.137 -15.452 1.00 0.00 H new HETATM 0 HB2 TYC A 37 -10.978 -20.267 -16.042 1.00 0.00 H new HETATM 0 HB1 TYC A 37 -12.282 -21.260 -16.662 1.00 0.00 H new HETATM 0 HA TYC A 37 -12.301 -22.609 -14.645 1.00 0.00 H new TER 539 TYC A 37