USER MOD reduce.3.24.130724 H: found=0, std=0, add=144, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 118 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 CYS N :NH3+ 159:sc= 0.121 (180deg=0.0477) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.0918 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 9 SER OG : rot -48:sc=0.000289 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0.299 X(o=0.3,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -4.502 7.098 3.500 1.00 0.00 N ATOM 2 CA CYS A 1 -5.749 7.641 2.886 1.00 0.00 C ATOM 3 C CYS A 1 -5.424 8.366 1.563 1.00 0.00 C ATOM 4 O CYS A 1 -4.974 9.513 1.597 1.00 0.00 O ATOM 5 CB CYS A 1 -6.508 8.564 3.876 1.00 0.00 C ATOM 6 SG CYS A 1 -7.007 7.644 5.369 1.00 0.00 S ATOM 0 H1 CYS A 1 -4.657 6.937 4.516 1.00 0.00 H new ATOM 0 H2 CYS A 1 -4.252 6.199 3.041 1.00 0.00 H new ATOM 0 H3 CYS A 1 -3.727 7.779 3.371 1.00 0.00 H new ATOM 0 HA CYS A 1 -6.412 6.807 2.657 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -5.873 9.404 4.157 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -7.390 8.980 3.389 1.00 0.00 H new ATOM 0 HG CYS A 1 -7.637 8.441 6.180 1.00 0.00 H new ATOM 13 N ARG A 2 -5.626 7.687 0.414 1.00 0.00 N ATOM 14 CA ARG A 2 -5.254 8.098 -0.965 1.00 0.00 C ATOM 15 C ARG A 2 -3.727 8.156 -1.195 1.00 0.00 C ATOM 16 O ARG A 2 -2.951 8.446 -0.282 1.00 0.00 O ATOM 17 CB ARG A 2 -5.924 9.426 -1.405 1.00 0.00 C ATOM 18 CG ARG A 2 -7.263 9.262 -2.140 1.00 0.00 C ATOM 19 CD ARG A 2 -8.378 8.616 -1.306 1.00 0.00 C ATOM 20 NE ARG A 2 -9.683 8.781 -1.976 1.00 0.00 N ATOM 21 CZ ARG A 2 -10.773 8.035 -1.822 1.00 0.00 C ATOM 22 NH1 ARG A 2 -11.868 8.347 -2.480 1.00 0.00 N ATOM 23 NH2 ARG A 2 -10.804 6.986 -1.027 1.00 0.00 N ATOM 0 H ARG A 2 -6.084 6.775 0.421 1.00 0.00 H new ATOM 0 HA ARG A 2 -5.647 7.305 -1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.084 10.045 -0.522 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.234 9.967 -2.053 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -7.600 10.243 -2.475 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.100 8.659 -3.033 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -8.167 7.556 -1.163 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.410 9.071 -0.316 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.757 9.557 -2.633 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.876 9.155 -3.102 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -12.709 7.781 -2.368 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -9.971 6.720 -0.501 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -11.661 6.440 -0.937 1.00 0.00 H new ATOM 34 N LYS A 3 -3.313 7.908 -2.447 1.00 0.00 N ATOM 35 CA LYS A 3 -1.940 8.074 -2.976 1.00 0.00 C ATOM 36 C LYS A 3 -0.910 7.083 -2.362 1.00 0.00 C ATOM 37 O LYS A 3 -1.231 6.305 -1.458 1.00 0.00 O ATOM 38 CB LYS A 3 -1.556 9.574 -2.857 1.00 0.00 C ATOM 39 CG LYS A 3 -0.532 10.066 -3.897 1.00 0.00 C ATOM 40 CD LYS A 3 -0.346 11.595 -3.868 1.00 0.00 C ATOM 41 CE LYS A 3 -1.578 12.410 -4.308 1.00 0.00 C ATOM 42 NZ LYS A 3 -1.886 12.257 -5.758 1.00 0.00 N ATOM 0 H LYS A 3 -3.958 7.568 -3.160 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.917 7.798 -4.030 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.461 10.174 -2.948 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.154 9.753 -1.860 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.428 9.583 -3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.856 9.762 -4.892 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.074 11.894 -2.856 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.493 11.856 -4.513 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.443 12.097 -3.723 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.408 13.464 -4.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.723 12.826 -5.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.074 12.581 -6.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.076 11.257 -5.969 1.00 0.00 H new ATOM 52 N ALA A 4 0.335 7.084 -2.859 1.00 0.00 N ATOM 53 CA ALA A 4 1.413 6.192 -2.397 1.00 0.00 C ATOM 54 C ALA A 4 1.973 6.568 -1.010 1.00 0.00 C ATOM 55 O ALA A 4 2.387 5.690 -0.247 1.00 0.00 O ATOM 56 CB ALA A 4 2.520 6.206 -3.461 1.00 0.00 C ATOM 0 H ALA A 4 0.628 7.714 -3.606 1.00 0.00 H new ATOM 0 HA ALA A 4 1.002 5.190 -2.272 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.335 5.553 -3.147 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.117 5.853 -4.410 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.895 7.222 -3.582 1.00 0.00 H new ATOM 62 N GLY A 5 2.016 7.866 -0.677 1.00 0.00 N ATOM 63 CA GLY A 5 2.433 8.412 0.627 1.00 0.00 C ATOM 64 C GLY A 5 3.941 8.332 0.892 1.00 0.00 C ATOM 65 O GLY A 5 4.588 9.360 1.086 1.00 0.00 O ATOM 0 H GLY A 5 1.750 8.597 -1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.120 9.454 0.688 1.00 0.00 H new ATOM 0 HA3 GLY A 5 1.908 7.875 1.417 1.00 0.00 H new ATOM 69 N VAL A 6 4.485 7.111 0.896 1.00 0.00 N ATOM 70 CA VAL A 6 5.892 6.774 1.222 1.00 0.00 C ATOM 71 C VAL A 6 6.405 5.509 0.507 1.00 0.00 C ATOM 72 O VAL A 6 7.551 5.496 0.057 1.00 0.00 O ATOM 73 CB VAL A 6 6.128 6.611 2.747 1.00 0.00 C ATOM 74 CG1 VAL A 6 6.233 7.959 3.476 1.00 0.00 C ATOM 75 CG2 VAL A 6 5.073 5.740 3.451 1.00 0.00 C ATOM 0 H VAL A 6 3.937 6.283 0.662 1.00 0.00 H new ATOM 0 HA VAL A 6 6.460 7.629 0.856 1.00 0.00 H new ATOM 0 HB VAL A 6 7.085 6.093 2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.398 7.786 4.539 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.067 8.529 3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.308 8.520 3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.306 5.674 4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.087 6.188 3.323 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.077 4.741 3.016 1.00 0.00 H new ATOM 85 N GLY A 7 5.572 4.464 0.370 1.00 0.00 N ATOM 86 CA GLY A 7 5.860 3.245 -0.410 1.00 0.00 C ATOM 87 C GLY A 7 5.628 1.936 0.351 1.00 0.00 C ATOM 88 O GLY A 7 5.113 0.981 -0.227 1.00 0.00 O ATOM 0 H GLY A 7 4.653 4.442 0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.238 3.246 -1.305 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.897 3.278 -0.743 1.00 0.00 H new ATOM 92 N GLN A 8 5.941 1.900 1.654 1.00 0.00 N ATOM 93 CA GLN A 8 5.661 0.756 2.547 1.00 0.00 C ATOM 94 C GLN A 8 5.156 1.159 3.940 1.00 0.00 C ATOM 95 O GLN A 8 4.137 0.655 4.393 1.00 0.00 O ATOM 96 CB GLN A 8 6.895 -0.148 2.641 1.00 0.00 C ATOM 97 CG GLN A 8 6.763 -1.308 1.633 1.00 0.00 C ATOM 98 CD GLN A 8 7.898 -2.326 1.764 1.00 0.00 C ATOM 99 OE1 GLN A 8 9.050 -2.068 1.427 1.00 0.00 O ATOM 100 NE2 GLN A 8 7.636 -3.517 2.263 1.00 0.00 N ATOM 0 H GLN A 8 6.403 2.675 2.129 1.00 0.00 H new ATOM 0 HA GLN A 8 4.837 0.203 2.096 1.00 0.00 H new ATOM 0 HB2 GLN A 8 7.797 0.428 2.433 1.00 0.00 H new ATOM 0 HB3 GLN A 8 6.994 -0.541 3.653 1.00 0.00 H new ATOM 0 HG2 GLN A 8 5.808 -1.811 1.785 1.00 0.00 H new ATOM 0 HG3 GLN A 8 6.754 -0.906 0.620 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.686 -3.752 2.549 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.384 -4.204 2.363 1.00 0.00 H new ATOM 107 N SER A 9 5.783 2.126 4.597 1.00 0.00 N ATOM 108 CA SER A 9 5.297 2.680 5.886 1.00 0.00 C ATOM 109 C SER A 9 3.932 3.441 5.820 1.00 0.00 C ATOM 110 O SER A 9 3.553 4.149 6.759 1.00 0.00 O ATOM 111 CB SER A 9 6.422 3.518 6.525 1.00 0.00 C ATOM 112 OG SER A 9 6.326 3.544 7.946 1.00 0.00 O ATOM 0 H SER A 9 6.644 2.559 4.264 1.00 0.00 H new ATOM 0 HA SER A 9 5.059 1.831 6.527 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.389 3.108 6.234 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.379 4.537 6.140 1.00 0.00 H new ATOM 0 HG SER A 9 5.404 3.749 8.208 1.00 0.00 H new ATOM 117 N TRP A 10 3.166 3.302 4.725 1.00 0.00 N ATOM 118 CA TRP A 10 1.799 3.826 4.548 1.00 0.00 C ATOM 119 C TRP A 10 0.768 3.068 5.405 1.00 0.00 C ATOM 120 O TRP A 10 -0.011 3.700 6.121 1.00 0.00 O ATOM 121 CB TRP A 10 1.411 3.787 3.055 1.00 0.00 C ATOM 122 CG TRP A 10 1.392 2.439 2.389 1.00 0.00 C ATOM 123 CD1 TRP A 10 2.487 1.752 2.014 1.00 0.00 C ATOM 124 CD2 TRP A 10 0.266 1.597 1.984 1.00 0.00 C ATOM 125 NE1 TRP A 10 2.142 0.547 1.446 1.00 0.00 N ATOM 126 CE2 TRP A 10 0.782 0.395 1.412 1.00 0.00 C ATOM 127 CE3 TRP A 10 -1.136 1.704 2.064 1.00 0.00 C ATOM 128 CZ2 TRP A 10 -0.029 -0.649 0.960 1.00 0.00 C ATOM 129 CZ3 TRP A 10 -1.972 0.699 1.529 1.00 0.00 C ATOM 130 CH2 TRP A 10 -1.422 -0.480 0.986 1.00 0.00 C ATOM 0 H TRP A 10 3.497 2.799 3.902 1.00 0.00 H new ATOM 0 HA TRP A 10 1.792 4.860 4.893 1.00 0.00 H new ATOM 0 HB2 TRP A 10 0.421 4.230 2.951 1.00 0.00 H new ATOM 0 HB3 TRP A 10 2.105 4.425 2.508 1.00 0.00 H new ATOM 0 HD1 TRP A 10 3.501 2.100 2.142 1.00 0.00 H new ATOM 0 HE1 TRP A 10 2.810 -0.141 1.097 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -1.578 2.566 2.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 0.407 -1.568 0.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -3.043 0.835 1.536 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -2.069 -1.249 0.592 1.00 0.00 H new ATOM 140 N LYS A 11 0.800 1.725 5.366 1.00 0.00 N ATOM 141 CA LYS A 11 0.049 0.826 6.267 1.00 0.00 C ATOM 142 C LYS A 11 0.600 -0.618 6.295 1.00 0.00 C ATOM 143 O LYS A 11 0.795 -1.168 7.377 1.00 0.00 O ATOM 144 CB LYS A 11 -1.488 0.886 6.039 1.00 0.00 C ATOM 145 CG LYS A 11 -2.048 0.163 4.802 1.00 0.00 C ATOM 146 CD LYS A 11 -2.606 -1.238 5.100 1.00 0.00 C ATOM 147 CE LYS A 11 -3.019 -1.983 3.814 1.00 0.00 C ATOM 148 NZ LYS A 11 -4.371 -1.579 3.329 1.00 0.00 N ATOM 0 H LYS A 11 1.366 1.217 4.686 1.00 0.00 H new ATOM 0 HA LYS A 11 0.217 1.217 7.271 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.976 0.472 6.921 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.779 1.935 5.977 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.838 0.773 4.364 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.259 0.078 4.055 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.854 -1.822 5.631 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.468 -1.151 5.761 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.283 -1.789 3.033 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.009 -3.057 4.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.602 -2.108 2.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.079 -1.788 4.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.376 -0.559 3.124 1.00 0.00 H new ATOM 158 N GLU A 12 0.849 -1.201 5.110 1.00 0.00 N ATOM 159 CA GLU A 12 1.252 -2.596 4.843 1.00 0.00 C ATOM 160 C GLU A 12 0.383 -3.673 5.528 1.00 0.00 C ATOM 161 O GLU A 12 0.515 -3.983 6.715 1.00 0.00 O ATOM 162 CB GLU A 12 2.742 -2.824 5.120 1.00 0.00 C ATOM 163 CG GLU A 12 3.636 -2.310 3.982 1.00 0.00 C ATOM 164 CD GLU A 12 3.891 -3.404 2.935 1.00 0.00 C ATOM 165 OE1 GLU A 12 3.049 -3.580 2.025 1.00 0.00 O ATOM 166 OE2 GLU A 12 4.948 -4.076 3.010 1.00 0.00 O ATOM 0 H GLU A 12 0.768 -0.668 4.244 1.00 0.00 H new ATOM 0 HA GLU A 12 1.071 -2.727 3.776 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.017 -2.323 6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.922 -3.889 5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.164 -1.451 3.506 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.586 -1.966 4.390 1.00 0.00 H new ATOM 171 N ASN A 13 -0.479 -4.294 4.716 1.00 0.00 N ATOM 172 CA ASN A 13 -1.401 -5.383 5.100 1.00 0.00 C ATOM 173 C ASN A 13 -2.134 -6.062 3.913 1.00 0.00 C ATOM 174 O ASN A 13 -3.063 -6.843 4.123 1.00 0.00 O ATOM 175 CB ASN A 13 -2.399 -4.895 6.183 1.00 0.00 C ATOM 176 CG ASN A 13 -2.441 -5.845 7.374 1.00 0.00 C ATOM 177 OD1 ASN A 13 -3.410 -6.561 7.605 1.00 0.00 O ATOM 178 ND2 ASN A 13 -1.378 -5.874 8.160 1.00 0.00 N ATOM 0 H ASN A 13 -0.561 -4.045 3.730 1.00 0.00 H new ATOM 0 HA ASN A 13 -0.772 -6.169 5.518 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.112 -3.899 6.521 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.395 -4.810 5.749 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.358 -6.496 8.968 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.578 -5.274 7.958 1.00 0.00 H new ATOM 184 N SER A 14 -1.750 -5.765 2.664 1.00 0.00 N ATOM 185 CA SER A 14 -2.403 -6.265 1.437 1.00 0.00 C ATOM 186 C SER A 14 -1.455 -7.163 0.611 1.00 0.00 C ATOM 187 O SER A 14 -0.232 -6.999 0.706 1.00 0.00 O ATOM 188 CB SER A 14 -2.822 -5.084 0.535 1.00 0.00 C ATOM 189 OG SER A 14 -3.676 -4.165 1.212 1.00 0.00 O ATOM 0 H SER A 14 -0.956 -5.155 2.469 1.00 0.00 H new ATOM 0 HA SER A 14 -3.271 -6.843 1.756 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.931 -4.561 0.187 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.332 -5.467 -0.349 1.00 0.00 H new ATOM 0 HG SER A 14 -3.915 -3.433 0.606 1.00 0.00 H new ATOM 194 N PRO A 15 -1.989 -8.056 -0.252 1.00 0.00 N ATOM 195 CA PRO A 15 -1.194 -8.790 -1.238 1.00 0.00 C ATOM 196 C PRO A 15 -0.806 -7.911 -2.445 1.00 0.00 C ATOM 197 O PRO A 15 0.032 -8.333 -3.241 1.00 0.00 O ATOM 198 CB PRO A 15 -2.084 -9.966 -1.659 1.00 0.00 C ATOM 199 CG PRO A 15 -3.495 -9.395 -1.539 1.00 0.00 C ATOM 200 CD PRO A 15 -3.388 -8.476 -0.323 1.00 0.00 C ATOM 0 HA PRO A 15 -0.244 -9.122 -0.820 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.866 -10.292 -2.676 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.943 -10.830 -1.010 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.787 -8.847 -2.435 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.237 -10.179 -1.389 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.048 -7.615 -0.426 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.685 -8.998 0.587 1.00 0.00 H new ATOM 205 N LEU A 16 -1.441 -6.728 -2.600 1.00 0.00 N ATOM 206 CA LEU A 16 -1.239 -5.664 -3.610 1.00 0.00 C ATOM 207 C LEU A 16 -1.232 -6.148 -5.076 1.00 0.00 C ATOM 208 O LEU A 16 -0.775 -5.457 -5.986 1.00 0.00 O ATOM 209 CB LEU A 16 -0.064 -4.737 -3.225 1.00 0.00 C ATOM 210 CG LEU A 16 1.328 -5.365 -3.435 1.00 0.00 C ATOM 211 CD1 LEU A 16 2.252 -4.432 -4.232 1.00 0.00 C ATOM 212 CD2 LEU A 16 2.001 -5.728 -2.104 1.00 0.00 C ATOM 0 H LEU A 16 -2.185 -6.467 -1.953 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.137 -5.047 -3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.130 -3.821 -3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.168 -4.452 -2.178 1.00 0.00 H new ATOM 0 HG LEU A 16 1.167 -6.280 -4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.225 -4.907 -4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.813 -4.233 -5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.375 -3.493 -3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.979 -6.167 -2.299 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.121 -4.829 -1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.381 -6.446 -1.567 1.00 0.00 H new ATOM 223 N ASN A 17 -1.740 -7.365 -5.272 1.00 0.00 N ATOM 224 CA ASN A 17 -1.912 -8.077 -6.540 1.00 0.00 C ATOM 225 C ASN A 17 -0.586 -8.637 -7.116 1.00 0.00 C ATOM 226 O ASN A 17 -0.415 -8.726 -8.335 1.00 0.00 O ATOM 227 CB ASN A 17 -2.763 -7.237 -7.522 1.00 0.00 C ATOM 228 CG ASN A 17 -3.935 -8.044 -8.064 1.00 0.00 C ATOM 229 OD1 ASN A 17 -3.941 -8.500 -9.203 1.00 0.00 O ATOM 230 ND2 ASN A 17 -4.956 -8.255 -7.246 1.00 0.00 N ATOM 0 H ASN A 17 -2.069 -7.924 -4.485 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.486 -8.984 -6.350 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.135 -6.346 -7.015 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.139 -6.897 -8.349 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.758 -8.801 -7.561 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.940 -7.871 -6.301 1.00 0.00 H new ATOM 236 N VAL A 18 0.354 -9.037 -6.241 1.00 0.00 N ATOM 237 CA VAL A 18 1.612 -9.735 -6.617 1.00 0.00 C ATOM 238 C VAL A 18 1.344 -11.021 -7.430 1.00 0.00 C ATOM 239 O VAL A 18 2.126 -11.350 -8.326 1.00 0.00 O ATOM 240 CB VAL A 18 2.464 -10.062 -5.359 1.00 0.00 C ATOM 241 CG1 VAL A 18 3.606 -11.068 -5.595 1.00 0.00 C ATOM 242 CG2 VAL A 18 3.095 -8.777 -4.796 1.00 0.00 C ATOM 0 H VAL A 18 0.267 -8.886 -5.236 1.00 0.00 H new ATOM 0 HA VAL A 18 2.173 -9.052 -7.255 1.00 0.00 H new ATOM 0 HB VAL A 18 1.761 -10.520 -4.663 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.144 -11.233 -4.662 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.192 -12.013 -5.947 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.292 -10.671 -6.343 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.689 -9.019 -3.915 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.736 -8.325 -5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.308 -8.075 -4.521 1.00 0.00 H new ATOM 252 N SER A 19 0.230 -11.716 -7.161 1.00 0.00 N ATOM 253 CA SER A 19 -0.208 -12.952 -7.840 1.00 0.00 C ATOM 254 C SER A 19 -1.728 -13.176 -7.784 1.00 0.00 C ATOM 255 O SER A 19 -2.233 -13.971 -8.612 1.00 0.00 O ATOM 256 CB SER A 19 0.549 -14.169 -7.292 1.00 0.00 C ATOM 257 OG SER A 19 0.336 -14.312 -5.891 1.00 0.00 O ATOM 258 OXT SER A 19 -2.424 -12.533 -6.961 1.00 0.00 O ATOM 0 H SER A 19 -0.422 -11.423 -6.433 1.00 0.00 H new ATOM 0 HA SER A 19 0.038 -12.826 -8.895 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.218 -15.070 -7.808 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.615 -14.060 -7.492 1.00 0.00 H new ATOM 0 HG SER A 19 0.826 -15.095 -5.564 1.00 0.00 H new TER 263 SER A 19