USER MOD reduce.3.24.130724 H: found=0, std=0, add=247, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 249 hydrogens (2 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 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0.1) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 11.336 -7.719 -1.601 1.00 0.00 N ATOM 2 CA GLU A 1 11.087 -7.334 -0.191 1.00 0.00 C ATOM 3 C GLU A 1 9.793 -6.472 -0.127 1.00 0.00 C ATOM 4 O GLU A 1 9.654 -5.471 -0.841 1.00 0.00 O ATOM 5 CB GLU A 1 12.318 -6.560 0.370 1.00 0.00 C ATOM 6 CG GLU A 1 12.760 -5.238 -0.312 1.00 0.00 C ATOM 7 CD GLU A 1 13.998 -4.615 0.335 1.00 0.00 C ATOM 8 OE1 GLU A 1 13.943 -3.738 1.197 1.00 0.00 O ATOM 9 OE2 GLU A 1 15.164 -5.143 -0.158 1.00 0.00 O ATOM 0 H1 GLU A 1 12.199 -8.296 -1.656 1.00 0.00 H new ATOM 0 H2 GLU A 1 10.529 -8.269 -1.958 1.00 0.00 H new ATOM 0 H3 GLU A 1 11.455 -6.863 -2.179 1.00 0.00 H new ATOM 0 HA GLU A 1 10.945 -8.221 0.426 1.00 0.00 H new ATOM 0 HB2 GLU A 1 12.115 -6.336 1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 1 13.170 -7.240 0.349 1.00 0.00 H new ATOM 0 HG2 GLU A 1 12.965 -5.430 -1.365 1.00 0.00 H new ATOM 0 HG3 GLU A 1 11.938 -4.523 -0.273 1.00 0.00 H new ATOM 18 N CYS A 2 8.854 -6.866 0.758 1.00 0.00 N ATOM 19 CA CYS A 2 7.616 -6.089 1.013 1.00 0.00 C ATOM 20 C CYS A 2 7.731 -5.112 2.215 1.00 0.00 C ATOM 21 O CYS A 2 8.526 -5.177 3.157 1.00 0.00 O ATOM 22 CB CYS A 2 6.432 -7.074 1.266 1.00 0.00 C ATOM 23 SG CYS A 2 5.164 -6.409 2.369 1.00 0.00 S ATOM 0 H CYS A 2 8.927 -7.720 1.311 1.00 0.00 H new ATOM 0 HA CYS A 2 7.442 -5.479 0.127 1.00 0.00 H new ATOM 0 HB2 CYS A 2 5.973 -7.331 0.311 1.00 0.00 H new ATOM 0 HB3 CYS A 2 6.823 -7.998 1.691 1.00 0.00 H new ATOM 28 N VAL A 3 6.762 -4.208 2.043 1.00 0.00 N ATOM 29 CA VAL A 3 6.287 -3.203 3.022 1.00 0.00 C ATOM 30 C VAL A 3 4.955 -3.758 3.648 1.00 0.00 C ATOM 31 O VAL A 3 4.002 -3.896 2.866 1.00 0.00 O ATOM 32 CB VAL A 3 5.992 -1.853 2.287 1.00 0.00 C ATOM 33 CG1 VAL A 3 5.520 -0.732 3.243 1.00 0.00 C ATOM 34 CG2 VAL A 3 7.174 -1.272 1.467 1.00 0.00 C ATOM 0 H VAL A 3 6.250 -4.148 1.163 1.00 0.00 H new ATOM 0 HA VAL A 3 7.038 -3.026 3.792 1.00 0.00 H new ATOM 0 HB VAL A 3 5.198 -2.144 1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.332 0.178 2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.603 -1.043 3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 3 6.292 -0.540 3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.867 -0.337 0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.019 -1.085 2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.468 -1.985 0.697 1.00 0.00 H new ATOM 44 N PRO A 4 4.740 -4.064 4.960 1.00 0.00 N ATOM 45 CA PRO A 4 3.382 -4.375 5.474 1.00 0.00 C ATOM 46 C PRO A 4 2.493 -3.112 5.614 1.00 0.00 C ATOM 47 O PRO A 4 2.759 -2.050 5.048 1.00 0.00 O ATOM 48 CB PRO A 4 3.711 -5.094 6.782 1.00 0.00 C ATOM 49 CG PRO A 4 4.817 -4.199 7.293 1.00 0.00 C ATOM 50 CD PRO A 4 5.732 -4.000 6.056 1.00 0.00 C ATOM 0 HA PRO A 4 2.768 -4.986 4.812 1.00 0.00 H new ATOM 0 HB2 PRO A 4 2.860 -5.136 7.461 1.00 0.00 H new ATOM 0 HB3 PRO A 4 4.043 -6.120 6.623 1.00 0.00 H new ATOM 0 HG2 PRO A 4 4.427 -3.249 7.659 1.00 0.00 H new ATOM 0 HG3 PRO A 4 5.356 -4.662 8.120 1.00 0.00 H new ATOM 0 HD2 PRO A 4 6.258 -3.046 6.081 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.489 -4.780 5.973 1.00 0.00 H new ATOM 58 N GLU A 5 1.430 -3.281 6.385 1.00 0.00 N ATOM 59 CA GLU A 5 0.333 -2.320 6.486 1.00 0.00 C ATOM 60 C GLU A 5 0.731 -1.132 7.385 1.00 0.00 C ATOM 61 O GLU A 5 1.475 -1.201 8.370 1.00 0.00 O ATOM 62 CB GLU A 5 -0.832 -3.160 6.958 1.00 0.00 C ATOM 63 CG GLU A 5 -2.077 -2.450 7.429 1.00 0.00 C ATOM 64 CD GLU A 5 -3.365 -3.243 7.235 1.00 0.00 C ATOM 65 OE1 GLU A 5 -3.945 -3.307 6.153 1.00 0.00 O ATOM 66 OE2 GLU A 5 -3.783 -3.867 8.382 1.00 0.00 O ATOM 0 H GLU A 5 1.299 -4.105 6.971 1.00 0.00 H new ATOM 0 HA GLU A 5 0.065 -1.821 5.555 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -1.116 -3.824 6.142 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.479 -3.790 7.774 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.967 -2.212 8.487 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.164 -1.503 6.897 1.00 0.00 H new ATOM 74 N ASN A 6 0.188 -0.017 6.898 1.00 0.00 N ATOM 75 CA ASN A 6 0.490 1.374 7.265 1.00 0.00 C ATOM 76 C ASN A 6 1.994 1.779 6.965 1.00 0.00 C ATOM 77 O ASN A 6 2.353 2.937 7.202 1.00 0.00 O ATOM 78 CB ASN A 6 0.108 1.589 8.744 1.00 0.00 C ATOM 79 CG ASN A 6 -1.316 1.212 9.218 1.00 0.00 C ATOM 80 OD1 ASN A 6 -2.318 1.701 8.696 1.00 0.00 O ATOM 81 ND2 ASN A 6 -1.429 0.337 10.206 1.00 0.00 N ATOM 0 H ASN A 6 -0.533 -0.062 6.178 1.00 0.00 H new ATOM 0 HA ASN A 6 -0.106 2.038 6.639 1.00 0.00 H new ATOM 0 HB2 ASN A 6 0.816 1.025 9.351 1.00 0.00 H new ATOM 0 HB3 ASN A 6 0.261 2.644 8.973 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -2.352 0.063 10.541 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -0.593 -0.062 10.632 1.00 0.00 H new ATOM 88 N GLY A 7 2.841 0.882 6.394 1.00 0.00 N ATOM 89 CA GLY A 7 4.153 1.222 5.826 1.00 0.00 C ATOM 90 C GLY A 7 3.908 1.858 4.459 1.00 0.00 C ATOM 91 O GLY A 7 3.027 1.447 3.687 1.00 0.00 O ATOM 0 H GLY A 7 2.618 -0.111 6.319 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.687 1.911 6.480 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.772 0.330 5.729 1.00 0.00 H new ATOM 95 N HIS A 8 4.740 2.871 4.229 1.00 0.00 N ATOM 96 CA HIS A 8 4.585 3.803 3.081 1.00 0.00 C ATOM 97 C HIS A 8 5.137 3.093 1.824 1.00 0.00 C ATOM 98 O HIS A 8 6.299 2.665 1.849 1.00 0.00 O ATOM 99 CB HIS A 8 5.334 5.139 3.344 1.00 0.00 C ATOM 100 CG HIS A 8 4.777 5.991 4.497 1.00 0.00 C ATOM 101 ND1 HIS A 8 5.515 6.322 5.629 1.00 0.00 N ATOM 102 CD2 HIS A 8 3.470 6.518 4.586 1.00 0.00 C ATOM 103 CE1 HIS A 8 4.555 7.032 6.308 1.00 0.00 C ATOM 104 NE2 HIS A 8 3.310 7.205 5.771 1.00 0.00 N ATOM 0 H HIS A 8 5.543 3.081 4.823 1.00 0.00 H new ATOM 0 HA HIS A 8 3.534 4.055 2.938 1.00 0.00 H new ATOM 0 HB2 HIS A 8 6.380 4.915 3.553 1.00 0.00 H new ATOM 0 HB3 HIS A 8 5.312 5.734 2.431 1.00 0.00 H new ATOM 0 HD2 HIS A 8 2.705 6.400 3.833 1.00 0.00 H new ATOM 0 HE1 HIS A 8 4.786 7.457 7.274 1.00 0.00 H new ATOM 0 HE2 HIS A 8 2.498 7.699 6.140 1.00 0.00 H new ATOM 112 N CYS A 9 4.319 2.925 0.751 1.00 0.00 N ATOM 113 CA CYS A 9 4.733 2.012 -0.342 1.00 0.00 C ATOM 114 C CYS A 9 5.117 2.773 -1.639 1.00 0.00 C ATOM 115 O CYS A 9 4.758 3.923 -1.911 1.00 0.00 O ATOM 116 CB CYS A 9 3.572 1.029 -0.525 1.00 0.00 C ATOM 117 SG CYS A 9 2.006 1.673 -1.110 1.00 0.00 S ATOM 0 H CYS A 9 3.417 3.383 0.623 1.00 0.00 H new ATOM 0 HA CYS A 9 5.647 1.474 -0.089 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.896 0.256 -1.222 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.395 0.540 0.433 1.00 0.00 H new ATOM 122 N ARG A 10 5.956 2.031 -2.391 1.00 0.00 N ATOM 123 CA ARG A 10 6.751 2.464 -3.581 1.00 0.00 C ATOM 124 C ARG A 10 7.792 3.520 -3.101 1.00 0.00 C ATOM 125 O ARG A 10 7.684 4.729 -3.332 1.00 0.00 O ATOM 126 CB ARG A 10 5.857 3.014 -4.734 1.00 0.00 C ATOM 127 CG ARG A 10 4.890 1.994 -5.378 1.00 0.00 C ATOM 128 CD ARG A 10 5.601 0.752 -5.953 1.00 0.00 C ATOM 129 NE ARG A 10 4.661 -0.095 -6.726 1.00 0.00 N ATOM 130 CZ ARG A 10 5.025 -1.015 -7.640 1.00 0.00 C ATOM 131 NH1 ARG A 10 6.286 -1.276 -7.976 1.00 0.00 N ATOM 132 NH2 ARG A 10 4.071 -1.705 -8.238 1.00 0.00 N ATOM 0 H ARG A 10 6.114 1.046 -2.177 1.00 0.00 H new ATOM 0 HA ARG A 10 7.261 1.600 -4.006 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.271 3.848 -4.348 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.506 3.413 -5.513 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.162 1.674 -4.632 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.333 2.486 -6.176 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.424 1.066 -6.595 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.035 0.170 -5.140 1.00 0.00 H new ATOM 0 HE ARG A 10 3.663 0.028 -6.553 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.048 -0.764 -7.532 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.490 -1.988 -8.678 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.093 -1.533 -8.003 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.312 -2.410 -8.935 1.00 0.00 H new ATOM 145 N ASP A 11 8.837 2.982 -2.443 1.00 0.00 N ATOM 146 CA ASP A 11 10.066 3.712 -2.063 1.00 0.00 C ATOM 147 C ASP A 11 11.044 3.546 -3.257 1.00 0.00 C ATOM 148 O ASP A 11 11.942 2.699 -3.243 1.00 0.00 O ATOM 149 CB ASP A 11 10.644 3.112 -0.757 1.00 0.00 C ATOM 150 CG ASP A 11 9.832 3.386 0.518 1.00 0.00 C ATOM 151 OD1 ASP A 11 9.129 2.537 1.064 1.00 0.00 O ATOM 152 OD2 ASP A 11 9.984 4.673 0.968 1.00 0.00 O ATOM 0 H ASP A 11 8.852 2.004 -2.153 1.00 0.00 H new ATOM 0 HA ASP A 11 9.882 4.768 -1.867 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.734 2.033 -0.883 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.652 3.502 -0.615 1.00 0.00 H new ATOM 158 N TRP A 12 10.770 4.351 -4.306 1.00 0.00 N ATOM 159 CA TRP A 12 11.353 4.257 -5.685 1.00 0.00 C ATOM 160 C TRP A 12 10.501 3.152 -6.399 1.00 0.00 C ATOM 161 O TRP A 12 9.706 3.515 -7.272 1.00 0.00 O ATOM 162 CB TRP A 12 12.886 3.934 -5.746 1.00 0.00 C ATOM 163 CG TRP A 12 13.791 5.018 -5.143 1.00 0.00 C ATOM 164 CD1 TRP A 12 14.285 5.048 -3.820 1.00 0.00 C ATOM 165 CD2 TRP A 12 14.270 6.169 -5.744 1.00 0.00 C ATOM 166 NE1 TRP A 12 15.063 6.195 -3.579 1.00 0.00 N ATOM 167 CE2 TRP A 12 15.040 6.877 -4.786 1.00 0.00 C ATOM 168 CE3 TRP A 12 14.097 6.691 -7.052 1.00 0.00 C ATOM 169 CZ2 TRP A 12 15.644 8.110 -5.131 1.00 0.00 C ATOM 170 CZ3 TRP A 12 14.703 7.907 -7.369 1.00 0.00 C ATOM 171 CH2 TRP A 12 15.465 8.606 -6.424 1.00 0.00 C ATOM 0 H TRP A 12 10.108 5.123 -4.223 1.00 0.00 H new ATOM 0 HA TRP A 12 11.301 5.231 -6.172 1.00 0.00 H new ATOM 0 HB2 TRP A 12 13.067 2.995 -5.223 1.00 0.00 H new ATOM 0 HB3 TRP A 12 13.170 3.779 -6.787 1.00 0.00 H new ATOM 0 HD1 TRP A 12 14.089 4.283 -3.083 1.00 0.00 H new ATOM 0 HE1 TRP A 12 15.535 6.463 -2.716 1.00 0.00 H new ATOM 0 HE3 TRP A 12 13.509 6.159 -7.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 16.232 8.656 -4.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 14.582 8.317 -8.361 1.00 0.00 H new ATOM 0 HH2 TRP A 12 15.922 9.545 -6.700 1.00 0.00 H new ATOM 182 N TYR A 13 10.605 1.850 -6.024 1.00 0.00 N ATOM 183 CA TYR A 13 9.675 0.777 -6.502 1.00 0.00 C ATOM 184 C TYR A 13 9.340 -0.315 -5.423 1.00 0.00 C ATOM 185 O TYR A 13 8.574 -1.222 -5.762 1.00 0.00 O ATOM 186 CB TYR A 13 10.339 0.086 -7.731 1.00 0.00 C ATOM 187 CG TYR A 13 10.305 0.908 -9.034 1.00 0.00 C ATOM 188 CD1 TYR A 13 9.106 1.064 -9.741 1.00 0.00 C ATOM 189 CD2 TYR A 13 11.457 1.559 -9.485 1.00 0.00 C ATOM 190 CE1 TYR A 13 9.068 1.845 -10.893 1.00 0.00 C ATOM 191 CE2 TYR A 13 11.417 2.341 -10.637 1.00 0.00 C ATOM 192 CZ TYR A 13 10.224 2.480 -11.343 1.00 0.00 C ATOM 193 OH TYR A 13 10.183 3.257 -12.472 1.00 0.00 O ATOM 0 H TYR A 13 11.327 1.511 -5.388 1.00 0.00 H new ATOM 0 HA TYR A 13 8.728 1.257 -6.749 1.00 0.00 H new ATOM 0 HB2 TYR A 13 11.377 -0.138 -7.487 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.841 -0.867 -7.907 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.208 0.577 -9.391 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.382 1.455 -8.938 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.143 1.959 -11.438 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.311 2.839 -10.983 1.00 0.00 H new ATOM 0 HH TYR A 13 11.073 3.627 -12.647 1.00 0.00 H new ATOM 203 N ASP A 14 9.834 -0.265 -4.161 1.00 0.00 N ATOM 204 CA ASP A 14 9.602 -1.338 -3.139 1.00 0.00 C ATOM 205 C ASP A 14 8.115 -1.307 -2.654 1.00 0.00 C ATOM 206 O ASP A 14 7.699 -0.440 -1.879 1.00 0.00 O ATOM 207 CB ASP A 14 10.548 -1.124 -1.924 1.00 0.00 C ATOM 208 CG ASP A 14 12.042 -1.348 -2.208 1.00 0.00 C ATOM 209 OD1 ASP A 14 12.567 -2.460 -2.235 1.00 0.00 O ATOM 210 OD2 ASP A 14 12.711 -0.170 -2.427 1.00 0.00 O ATOM 0 H ASP A 14 10.401 0.510 -3.817 1.00 0.00 H new ATOM 0 HA ASP A 14 9.810 -2.306 -3.594 1.00 0.00 H new ATOM 0 HB2 ASP A 14 10.414 -0.107 -1.554 1.00 0.00 H new ATOM 0 HB3 ASP A 14 10.242 -1.797 -1.123 1.00 0.00 H new ATOM 216 N GLU A 15 7.329 -2.267 -3.171 1.00 0.00 N ATOM 217 CA GLU A 15 5.848 -2.291 -3.034 1.00 0.00 C ATOM 218 C GLU A 15 5.344 -3.023 -1.744 1.00 0.00 C ATOM 219 O GLU A 15 6.104 -3.570 -0.935 1.00 0.00 O ATOM 220 CB GLU A 15 5.328 -2.980 -4.339 1.00 0.00 C ATOM 221 CG GLU A 15 5.656 -4.476 -4.579 1.00 0.00 C ATOM 222 CD GLU A 15 5.059 -4.999 -5.887 1.00 0.00 C ATOM 223 OE1 GLU A 15 3.991 -5.607 -5.948 1.00 0.00 O ATOM 224 OE2 GLU A 15 5.846 -4.705 -6.972 1.00 0.00 O ATOM 0 H GLU A 15 7.698 -3.057 -3.701 1.00 0.00 H new ATOM 0 HA GLU A 15 5.460 -1.279 -2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.243 -2.873 -4.358 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.718 -2.417 -5.187 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.738 -4.610 -4.597 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.275 -5.067 -3.746 1.00 0.00 H new ATOM 232 N CYS A 16 4.005 -3.031 -1.594 1.00 0.00 N ATOM 233 CA CYS A 16 3.291 -3.728 -0.502 1.00 0.00 C ATOM 234 C CYS A 16 3.275 -5.272 -0.691 1.00 0.00 C ATOM 235 O CYS A 16 3.480 -5.823 -1.779 1.00 0.00 O ATOM 236 CB CYS A 16 1.856 -3.156 -0.527 1.00 0.00 C ATOM 237 SG CYS A 16 1.948 -1.456 -0.043 1.00 0.00 S ATOM 0 H CYS A 16 3.378 -2.547 -2.237 1.00 0.00 H new ATOM 0 HA CYS A 16 3.789 -3.563 0.454 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.425 -3.247 -1.524 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.210 -3.713 0.152 1.00 0.00 H new ATOM 242 N CYS A 17 3.008 -5.938 0.438 1.00 0.00 N ATOM 243 CA CYS A 17 2.971 -7.440 0.558 1.00 0.00 C ATOM 244 C CYS A 17 2.004 -8.168 -0.434 1.00 0.00 C ATOM 245 O CYS A 17 1.120 -7.577 -1.056 1.00 0.00 O ATOM 246 CB CYS A 17 2.490 -7.754 1.998 1.00 0.00 C ATOM 247 SG CYS A 17 3.884 -7.706 3.114 1.00 0.00 S ATOM 0 H CYS A 17 2.806 -5.463 1.318 1.00 0.00 H new ATOM 0 HA CYS A 17 3.971 -7.804 0.320 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.737 -7.029 2.308 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.019 -8.736 2.030 1.00 0.00 H new ATOM 252 N GLU A 18 2.191 -9.503 -0.540 1.00 0.00 N ATOM 253 CA GLU A 18 1.237 -10.407 -1.231 1.00 0.00 C ATOM 254 C GLU A 18 0.222 -10.861 -0.135 1.00 0.00 C ATOM 255 O GLU A 18 0.369 -11.860 0.576 1.00 0.00 O ATOM 256 CB GLU A 18 2.007 -11.586 -1.883 1.00 0.00 C ATOM 257 CG GLU A 18 1.134 -12.497 -2.774 1.00 0.00 C ATOM 258 CD GLU A 18 1.931 -13.636 -3.414 1.00 0.00 C ATOM 259 OE1 GLU A 18 2.047 -14.751 -2.907 1.00 0.00 O ATOM 260 OE2 GLU A 18 2.495 -13.267 -4.609 1.00 0.00 O ATOM 0 H GLU A 18 3.002 -9.984 -0.152 1.00 0.00 H new ATOM 0 HA GLU A 18 0.702 -9.924 -2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.823 -11.184 -2.483 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.458 -12.191 -1.096 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.325 -12.916 -2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.672 -11.897 -3.558 1.00 0.00 H new ATOM 268 N GLY A 19 -0.786 -10.001 -0.034 1.00 0.00 N ATOM 269 CA GLY A 19 -1.788 -9.971 1.033 1.00 0.00 C ATOM 270 C GLY A 19 -2.274 -8.533 1.380 1.00 0.00 C ATOM 271 O GLY A 19 -3.386 -8.409 1.901 1.00 0.00 O ATOM 0 H GLY A 19 -0.936 -9.268 -0.727 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.645 -10.575 0.734 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.370 -10.432 1.928 1.00 0.00 H new ATOM 275 N PHE A 20 -1.483 -7.467 1.095 1.00 0.00 N ATOM 276 CA PHE A 20 -1.957 -6.058 1.177 1.00 0.00 C ATOM 277 C PHE A 20 -1.591 -5.389 -0.180 1.00 0.00 C ATOM 278 O PHE A 20 -0.481 -5.522 -0.703 1.00 0.00 O ATOM 279 CB PHE A 20 -1.288 -5.228 2.309 1.00 0.00 C ATOM 280 CG PHE A 20 -1.292 -5.769 3.752 1.00 0.00 C ATOM 281 CD1 PHE A 20 -2.493 -5.955 4.447 1.00 0.00 C ATOM 282 CD2 PHE A 20 -0.083 -6.034 4.405 1.00 0.00 C ATOM 283 CE1 PHE A 20 -2.486 -6.462 5.744 1.00 0.00 C ATOM 284 CE2 PHE A 20 -0.076 -6.542 5.701 1.00 0.00 C ATOM 285 CZ PHE A 20 -1.278 -6.758 6.369 1.00 0.00 C ATOM 0 H PHE A 20 -0.509 -7.556 0.805 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.025 -6.077 1.393 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.248 -5.066 2.024 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.770 -4.251 2.326 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.431 -5.704 3.974 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.852 -5.843 3.899 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.418 -6.626 6.265 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.861 -6.768 6.188 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.273 -7.156 7.373 1.00 0.00 H new ATOM 295 N TYR A 21 -2.546 -4.643 -0.734 1.00 0.00 N ATOM 296 CA TYR A 21 -2.344 -3.880 -1.998 1.00 0.00 C ATOM 297 C TYR A 21 -1.846 -2.448 -1.653 1.00 0.00 C ATOM 298 O TYR A 21 -2.258 -1.857 -0.650 1.00 0.00 O ATOM 299 CB TYR A 21 -3.676 -3.843 -2.812 1.00 0.00 C ATOM 300 CG TYR A 21 -4.852 -2.945 -2.361 1.00 0.00 C ATOM 301 CD1 TYR A 21 -4.916 -1.612 -2.787 1.00 0.00 C ATOM 302 CD2 TYR A 21 -5.888 -3.462 -1.578 1.00 0.00 C ATOM 303 CE1 TYR A 21 -5.996 -0.810 -2.430 1.00 0.00 C ATOM 304 CE2 TYR A 21 -6.978 -2.664 -1.241 1.00 0.00 C ATOM 305 CZ TYR A 21 -7.029 -1.337 -1.661 1.00 0.00 C ATOM 306 OH TYR A 21 -8.091 -0.547 -1.305 1.00 0.00 O ATOM 0 H TYR A 21 -3.479 -4.541 -0.335 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.591 -4.368 -2.617 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.421 -3.551 -3.831 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.052 -4.865 -2.858 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.123 -1.204 -3.396 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.843 -4.484 -1.233 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.032 0.221 -2.750 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.785 -3.075 -0.653 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.723 -1.071 -0.770 1.00 0.00 H new ATOM 316 N CYS A 22 -0.997 -1.875 -2.525 1.00 0.00 N ATOM 317 CA CYS A 22 -0.421 -0.526 -2.305 1.00 0.00 C ATOM 318 C CYS A 22 -1.455 0.573 -2.691 1.00 0.00 C ATOM 319 O CYS A 22 -1.567 1.004 -3.844 1.00 0.00 O ATOM 320 CB CYS A 22 0.864 -0.445 -3.164 1.00 0.00 C ATOM 321 SG CYS A 22 1.716 1.144 -3.021 1.00 0.00 S ATOM 0 H CYS A 22 -0.692 -2.321 -3.390 1.00 0.00 H new ATOM 0 HA CYS A 22 -0.176 -0.359 -1.256 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.544 -1.243 -2.866 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.607 -0.620 -4.209 1.00 0.00 H new ATOM 326 N SER A 23 -2.207 1.005 -1.665 1.00 0.00 N ATOM 327 CA SER A 23 -3.208 2.101 -1.770 1.00 0.00 C ATOM 328 C SER A 23 -2.532 3.496 -1.756 1.00 0.00 C ATOM 329 O SER A 23 -2.026 3.928 -0.714 1.00 0.00 O ATOM 330 CB SER A 23 -4.145 1.992 -0.561 1.00 0.00 C ATOM 331 OG SER A 23 -5.224 2.912 -0.672 1.00 0.00 O ATOM 0 H SER A 23 -2.143 0.606 -0.728 1.00 0.00 H new ATOM 0 HA SER A 23 -3.748 2.001 -2.712 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.534 0.976 -0.487 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.588 2.187 0.355 1.00 0.00 H new ATOM 0 HG SER A 23 -5.810 2.825 0.109 1.00 0.00 H new ATOM 337 N CYS A 24 -2.524 4.197 -2.903 1.00 0.00 N ATOM 338 CA CYS A 24 -1.835 5.511 -3.030 1.00 0.00 C ATOM 339 C CYS A 24 -2.939 6.600 -2.928 1.00 0.00 C ATOM 340 O CYS A 24 -3.438 7.135 -3.923 1.00 0.00 O ATOM 341 CB CYS A 24 -1.025 5.534 -4.334 1.00 0.00 C ATOM 342 SG CYS A 24 0.260 4.271 -4.195 1.00 0.00 S ATOM 0 H CYS A 24 -2.983 3.884 -3.758 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.106 5.699 -2.242 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.670 5.333 -5.190 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -0.581 6.517 -4.493 1.00 0.00 H new ATOM 347 N ARG A 25 -3.314 6.879 -1.668 1.00 0.00 N ATOM 348 CA ARG A 25 -4.505 7.704 -1.318 1.00 0.00 C ATOM 349 C ARG A 25 -4.269 9.220 -1.594 1.00 0.00 C ATOM 350 O ARG A 25 -4.943 9.780 -2.463 1.00 0.00 O ATOM 351 CB ARG A 25 -4.831 7.442 0.187 1.00 0.00 C ATOM 352 CG ARG A 25 -5.320 6.015 0.537 1.00 0.00 C ATOM 353 CD ARG A 25 -5.490 5.731 2.044 1.00 0.00 C ATOM 354 NE ARG A 25 -6.636 6.447 2.664 1.00 0.00 N ATOM 355 CZ ARG A 25 -6.543 7.555 3.429 1.00 0.00 C ATOM 356 NH1 ARG A 25 -5.397 8.164 3.727 1.00 0.00 N ATOM 357 NH2 ARG A 25 -7.660 8.071 3.908 1.00 0.00 N ATOM 0 H ARG A 25 -2.803 6.541 -0.852 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.349 7.418 -1.946 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.937 7.652 0.774 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.594 8.154 0.502 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.275 5.844 0.041 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.613 5.295 0.125 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.622 4.659 2.190 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.574 6.013 2.563 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.569 6.070 2.498 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.516 7.795 3.370 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.401 9.000 4.312 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.556 7.633 3.696 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.627 8.908 4.490 1.00 0.00 H new ATOM 370 N GLN A 26 -3.335 9.861 -0.870 1.00 0.00 N ATOM 371 CA GLN A 26 -3.018 11.302 -1.028 1.00 0.00 C ATOM 372 C GLN A 26 -1.559 11.378 -1.582 1.00 0.00 C ATOM 373 O GLN A 26 -0.632 11.286 -0.771 1.00 0.00 O ATOM 374 CB GLN A 26 -3.162 12.032 0.339 1.00 0.00 C ATOM 375 CG GLN A 26 -4.613 12.154 0.862 1.00 0.00 C ATOM 376 CD GLN A 26 -4.705 12.849 2.230 1.00 0.00 C ATOM 377 OE1 GLN A 26 -4.717 14.076 2.323 1.00 0.00 O ATOM 378 NE2 GLN A 26 -4.775 12.088 3.313 1.00 0.00 N ATOM 0 H GLN A 26 -2.774 9.398 -0.155 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.703 11.797 -1.716 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.567 11.502 1.082 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.739 13.032 0.247 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.208 12.710 0.138 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.051 11.159 0.937 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.764 11.072 3.224 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.840 12.518 4.235 1.00 0.00 H new ATOM 387 N PRO A 27 -1.284 11.506 -2.917 1.00 0.00 N ATOM 388 CA PRO A 27 0.088 11.360 -3.477 1.00 0.00 C ATOM 389 C PRO A 27 1.037 12.565 -3.132 1.00 0.00 C ATOM 390 O PRO A 27 0.548 13.702 -3.116 1.00 0.00 O ATOM 391 CB PRO A 27 -0.163 11.213 -4.989 1.00 0.00 C ATOM 392 CG PRO A 27 -1.514 11.882 -5.245 1.00 0.00 C ATOM 393 CD PRO A 27 -2.314 11.620 -3.969 1.00 0.00 C ATOM 0 HA PRO A 27 0.620 10.510 -3.050 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.628 11.692 -5.567 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.182 10.164 -5.284 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.400 12.950 -5.431 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -2.009 11.458 -6.119 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.009 12.433 -3.760 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.905 10.708 -4.049 1.00 0.00 H new ATOM 401 N PRO A 28 2.363 12.387 -2.839 1.00 0.00 N ATOM 402 CA PRO A 28 3.109 11.101 -3.017 1.00 0.00 C ATOM 403 C PRO A 28 3.017 10.041 -1.859 1.00 0.00 C ATOM 404 O PRO A 28 3.687 9.009 -1.969 1.00 0.00 O ATOM 405 CB PRO A 28 4.549 11.623 -3.211 1.00 0.00 C ATOM 406 CG PRO A 28 4.634 12.900 -2.375 1.00 0.00 C ATOM 407 CD PRO A 28 3.253 13.530 -2.543 1.00 0.00 C ATOM 0 HA PRO A 28 2.688 10.515 -3.834 1.00 0.00 H new ATOM 0 HB2 PRO A 28 5.282 10.887 -2.880 1.00 0.00 H new ATOM 0 HB3 PRO A 28 4.755 11.827 -4.262 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.851 12.681 -1.329 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.423 13.562 -2.732 1.00 0.00 H new ATOM 0 HD2 PRO A 28 2.942 14.053 -1.639 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.245 14.260 -3.352 1.00 0.00 H new ATOM 415 N LYS A 29 2.209 10.242 -0.794 1.00 0.00 N ATOM 416 CA LYS A 29 2.112 9.294 0.349 1.00 0.00 C ATOM 417 C LYS A 29 1.115 8.144 -0.003 1.00 0.00 C ATOM 418 O LYS A 29 -0.100 8.339 -0.121 1.00 0.00 O ATOM 419 CB LYS A 29 1.619 10.044 1.619 1.00 0.00 C ATOM 420 CG LYS A 29 2.636 11.041 2.219 1.00 0.00 C ATOM 421 CD LYS A 29 2.120 11.731 3.500 1.00 0.00 C ATOM 422 CE LYS A 29 3.117 12.709 4.154 1.00 0.00 C ATOM 423 NZ LYS A 29 3.328 13.941 3.370 1.00 0.00 N ATOM 0 H LYS A 29 1.607 11.060 -0.698 1.00 0.00 H new ATOM 0 HA LYS A 29 3.097 8.870 0.545 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.704 10.584 1.373 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.360 9.308 2.381 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.563 10.514 2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.874 11.801 1.475 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.205 12.273 3.261 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.855 10.964 4.228 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.754 12.976 5.147 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.074 12.205 4.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.008 14.554 3.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.702 13.695 2.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.424 14.443 3.262 1.00 0.00 H new ATOM 436 N CYS A 30 1.688 6.940 -0.144 1.00 0.00 N ATOM 437 CA CYS A 30 0.937 5.660 -0.277 1.00 0.00 C ATOM 438 C CYS A 30 1.129 4.853 1.029 1.00 0.00 C ATOM 439 O CYS A 30 2.006 5.135 1.842 1.00 0.00 O ATOM 440 CB CYS A 30 1.515 4.820 -1.438 1.00 0.00 C ATOM 441 SG CYS A 30 0.407 3.699 -2.271 1.00 0.00 S ATOM 0 H CYS A 30 2.700 6.814 -0.171 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.114 5.876 -0.468 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.921 5.507 -2.181 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.352 4.240 -1.050 1.00 0.00 H new ATOM 446 N ILE A 31 0.314 3.826 1.189 1.00 0.00 N ATOM 447 CA ILE A 31 0.523 2.792 2.253 1.00 0.00 C ATOM 448 C ILE A 31 0.014 1.452 1.677 1.00 0.00 C ATOM 449 O ILE A 31 -0.664 1.350 0.653 1.00 0.00 O ATOM 450 CB ILE A 31 -0.246 2.986 3.640 1.00 0.00 C ATOM 451 CG1 ILE A 31 -1.736 3.365 3.444 1.00 0.00 C ATOM 452 CG2 ILE A 31 0.474 4.035 4.494 1.00 0.00 C ATOM 453 CD1 ILE A 31 -2.574 3.092 4.698 1.00 0.00 C ATOM 0 H ILE A 31 -0.508 3.663 0.607 1.00 0.00 H new ATOM 0 HA ILE A 31 1.584 2.854 2.493 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.234 2.028 4.159 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.809 4.421 3.183 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.145 2.801 2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.056 4.162 5.438 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.494 3.705 4.692 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.497 4.985 3.960 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.610 3.374 4.511 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.525 2.031 4.945 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.184 3.677 5.531 1.00 0.00 H new ATOM 465 N CYS A 32 0.325 0.401 2.432 1.00 0.00 N ATOM 466 CA CYS A 32 -0.231 -0.916 2.243 1.00 0.00 C ATOM 467 C CYS A 32 -1.559 -1.024 3.037 1.00 0.00 C ATOM 468 O CYS A 32 -1.734 -0.545 4.167 1.00 0.00 O ATOM 469 CB CYS A 32 0.838 -1.837 2.721 1.00 0.00 C ATOM 470 SG CYS A 32 2.397 -1.533 1.885 1.00 0.00 S ATOM 0 H CYS A 32 0.986 0.453 3.207 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.495 -1.157 1.213 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.971 -1.714 3.796 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.531 -2.869 2.554 1.00 0.00 H new ATOM 475 N ARG A 33 -2.478 -1.640 2.321 1.00 0.00 N ATOM 476 CA ARG A 33 -3.924 -1.665 2.662 1.00 0.00 C ATOM 477 C ARG A 33 -4.587 -3.063 2.477 1.00 0.00 C ATOM 478 O ARG A 33 -4.257 -3.803 1.550 1.00 0.00 O ATOM 479 CB ARG A 33 -4.473 -0.557 1.709 1.00 0.00 C ATOM 480 CG ARG A 33 -5.991 -0.343 1.675 1.00 0.00 C ATOM 481 CD ARG A 33 -6.692 0.059 2.986 1.00 0.00 C ATOM 482 NE ARG A 33 -6.365 1.442 3.417 1.00 0.00 N ATOM 483 CZ ARG A 33 -6.829 2.018 4.543 1.00 0.00 C ATOM 484 NH1 ARG A 33 -7.627 1.406 5.417 1.00 0.00 N ATOM 485 NH2 ARG A 33 -6.477 3.264 4.797 1.00 0.00 N ATOM 0 H ARG A 33 -2.258 -2.152 1.467 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.139 -1.478 3.714 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.006 0.388 1.987 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.143 -0.790 0.697 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.204 0.426 0.933 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.451 -1.265 1.319 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.771 -0.030 2.857 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.406 -0.638 3.773 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.748 1.993 2.820 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.922 0.444 5.252 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.943 1.900 6.252 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.869 3.765 4.149 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.813 3.727 5.642 1.00 0.00 H new ATOM 498 N ASN A 34 -5.582 -3.385 3.333 1.00 0.00 N ATOM 499 CA ASN A 34 -6.293 -4.700 3.330 1.00 0.00 C ATOM 500 C ASN A 34 -7.094 -4.922 2.013 1.00 0.00 C ATOM 501 O ASN A 34 -7.913 -4.086 1.617 1.00 0.00 O ATOM 502 CB ASN A 34 -7.311 -4.759 4.510 1.00 0.00 C ATOM 503 CG ASN A 34 -6.732 -4.829 5.935 1.00 0.00 C ATOM 504 OD1 ASN A 34 -6.749 -3.848 6.678 1.00 0.00 O ATOM 505 ND2 ASN A 34 -6.238 -5.984 6.354 1.00 0.00 N ATOM 0 H ASN A 34 -5.922 -2.744 4.050 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.530 -5.472 3.426 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.951 -3.879 4.448 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.950 -5.629 4.362 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.867 -6.067 7.300 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.229 -6.791 5.730 1.00 0.00 H new ATOM 512 N ASN A 35 -6.882 -6.097 1.390 1.00 0.00 N ATOM 513 CA ASN A 35 -7.687 -6.561 0.220 1.00 0.00 C ATOM 514 C ASN A 35 -9.123 -6.989 0.671 1.00 0.00 C ATOM 515 O ASN A 35 -10.090 -6.397 0.184 1.00 0.00 O ATOM 516 CB ASN A 35 -6.947 -7.753 -0.464 1.00 0.00 C ATOM 517 CG ASN A 35 -5.661 -7.386 -1.235 1.00 0.00 C ATOM 518 OD1 ASN A 35 -4.594 -7.209 -0.650 1.00 0.00 O ATOM 519 ND2 ASN A 35 -5.729 -7.271 -2.552 1.00 0.00 N ATOM 0 H ASN A 35 -6.156 -6.755 1.673 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.794 -5.743 -0.493 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.694 -8.487 0.301 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.637 -8.238 -1.154 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.893 -7.034 -3.087 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.617 -7.419 -3.032 1.00 0.00 H new ATOM 526 N ASN A 36 -9.263 -7.970 1.591 1.00 0.00 N ATOM 527 CA ASN A 36 -10.576 -8.382 2.153 1.00 0.00 C ATOM 528 C ASN A 36 -10.722 -7.726 3.543 1.00 0.00 C ATOM 529 O ASN A 36 -10.052 -8.039 4.530 1.00 0.00 O ATOM 530 CB ASN A 36 -10.654 -9.931 2.264 1.00 0.00 C ATOM 531 CG ASN A 36 -10.769 -10.676 0.917 1.00 0.00 C ATOM 532 OD1 ASN A 36 -11.824 -10.690 0.283 1.00 0.00 O ATOM 533 ND2 ASN A 36 -9.698 -11.305 0.456 1.00 0.00 N ATOM 0 H ASN A 36 -8.475 -8.498 1.965 1.00 0.00 H new ATOM 0 HA ASN A 36 -11.387 -8.059 1.501 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -9.766 -10.288 2.785 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -11.513 -10.193 2.882 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.743 -11.806 -0.431 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.828 -11.288 0.988 1.00 0.00 H new HETATM 540 N NH2 A 37 -11.729 -6.655 3.701 1.00 0.00 N TER 543 NH2 A 37