USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 278 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.574! C(o=-0.57!,f=-7.1!) USER MOD Single : A 12 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.022) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 137:sc= 0.334 (180deg=0) USER MOD Single : A 24 SER OG : rot -160:sc= -0.0363 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.317) USER MOD Single : A 31 ASN : amide:sc= 0.271 K(o=0.27,f=-8.7!) USER MOD Single : A 33 SER OG : rot -114:sc= 0.447! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.809 6.733 -0.249 1.00 0.00 N ATOM 2 CA GLY A 1 -7.986 6.564 -1.480 1.00 0.00 C ATOM 3 C GLY A 1 -7.154 5.288 -1.369 1.00 0.00 C ATOM 4 O GLY A 1 -7.662 4.225 -1.072 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.375 7.602 -0.326 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.443 5.916 -0.140 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.184 6.799 0.580 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.631 6.514 -2.357 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.332 7.426 -1.614 1.00 0.00 H new ATOM 10 N CYS A 2 -5.875 5.383 -1.612 1.00 0.00 N ATOM 11 CA CYS A 2 -5.009 4.173 -1.525 1.00 0.00 C ATOM 12 C CYS A 2 -4.764 3.790 -0.067 1.00 0.00 C ATOM 13 O CYS A 2 -5.332 4.359 0.843 1.00 0.00 O ATOM 14 CB CYS A 2 -3.692 4.563 -2.199 1.00 0.00 C ATOM 15 SG CYS A 2 -3.039 6.085 -1.462 1.00 0.00 S ATOM 0 H CYS A 2 -5.393 6.245 -1.867 1.00 0.00 H new ATOM 0 HA CYS A 2 -5.473 3.312 -2.006 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -2.966 3.757 -2.090 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -3.850 4.707 -3.268 1.00 0.00 H new ATOM 20 N LEU A 3 -3.918 2.824 0.155 1.00 0.00 N ATOM 21 CA LEU A 3 -3.623 2.391 1.548 1.00 0.00 C ATOM 22 C LEU A 3 -2.477 3.228 2.124 1.00 0.00 C ATOM 23 O LEU A 3 -2.253 4.352 1.720 1.00 0.00 O ATOM 24 CB LEU A 3 -3.209 0.924 1.419 1.00 0.00 C ATOM 25 CG LEU A 3 -4.387 0.100 0.898 1.00 0.00 C ATOM 26 CD1 LEU A 3 -3.940 -0.718 -0.314 1.00 0.00 C ATOM 27 CD2 LEU A 3 -4.875 -0.848 1.996 1.00 0.00 C ATOM 0 H LEU A 3 -3.416 2.314 -0.572 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.475 2.517 2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.361 0.834 0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.885 0.541 2.387 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.197 0.770 0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.779 -1.306 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.592 -0.046 -1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.130 -1.386 -0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.715 -1.435 1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.065 -1.517 2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.194 -0.268 2.862 1.00 0.00 H new ATOM 39 N GLU A 4 -1.751 2.690 3.063 1.00 0.00 N ATOM 40 CA GLU A 4 -0.624 3.457 3.659 1.00 0.00 C ATOM 41 C GLU A 4 0.710 2.956 3.108 1.00 0.00 C ATOM 42 O GLU A 4 0.766 2.286 2.097 1.00 0.00 O ATOM 43 CB GLU A 4 -0.724 3.200 5.160 1.00 0.00 C ATOM 44 CG GLU A 4 -0.168 4.403 5.923 1.00 0.00 C ATOM 45 CD GLU A 4 -1.327 5.234 6.476 1.00 0.00 C ATOM 46 OE1 GLU A 4 -2.316 5.375 5.776 1.00 0.00 O ATOM 47 OE2 GLU A 4 -1.207 5.715 7.592 1.00 0.00 O ATOM 0 H GLU A 4 -1.889 1.754 3.443 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.677 4.520 3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.763 3.026 5.441 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.168 2.300 5.423 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.473 4.066 6.737 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.449 5.013 5.263 1.00 0.00 H new ATOM 54 N PHE A 5 1.784 3.295 3.759 1.00 0.00 N ATOM 55 CA PHE A 5 3.124 2.863 3.269 1.00 0.00 C ATOM 56 C PHE A 5 3.440 1.422 3.691 1.00 0.00 C ATOM 57 O PHE A 5 4.521 0.929 3.443 1.00 0.00 O ATOM 58 CB PHE A 5 4.105 3.834 3.922 1.00 0.00 C ATOM 59 CG PHE A 5 5.511 3.491 3.497 1.00 0.00 C ATOM 60 CD1 PHE A 5 6.037 4.031 2.317 1.00 0.00 C ATOM 61 CD2 PHE A 5 6.289 2.633 4.282 1.00 0.00 C ATOM 62 CE1 PHE A 5 7.342 3.712 1.923 1.00 0.00 C ATOM 63 CE2 PHE A 5 7.593 2.316 3.889 1.00 0.00 C ATOM 64 CZ PHE A 5 8.121 2.855 2.710 1.00 0.00 C ATOM 0 H PHE A 5 1.794 3.854 4.612 1.00 0.00 H new ATOM 0 HA PHE A 5 3.177 2.877 2.180 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.866 4.858 3.634 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.018 3.780 5.007 1.00 0.00 H new ATOM 0 HD1 PHE A 5 5.436 4.693 1.711 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.882 2.216 5.191 1.00 0.00 H new ATOM 0 HE1 PHE A 5 7.748 4.127 1.012 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.193 1.655 4.496 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.128 2.610 2.408 1.00 0.00 H new ATOM 74 N TRP A 6 2.525 0.742 4.331 1.00 0.00 N ATOM 75 CA TRP A 6 2.821 -0.663 4.751 1.00 0.00 C ATOM 76 C TRP A 6 1.531 -1.420 5.082 1.00 0.00 C ATOM 77 O TRP A 6 1.458 -2.134 6.063 1.00 0.00 O ATOM 78 CB TRP A 6 3.695 -0.513 5.998 1.00 0.00 C ATOM 79 CG TRP A 6 4.202 -1.849 6.434 1.00 0.00 C ATOM 80 CD1 TRP A 6 3.947 -2.422 7.632 1.00 0.00 C ATOM 81 CD2 TRP A 6 5.050 -2.784 5.705 1.00 0.00 C ATOM 82 NE1 TRP A 6 4.584 -3.648 7.686 1.00 0.00 N ATOM 83 CE2 TRP A 6 5.275 -3.917 6.522 1.00 0.00 C ATOM 84 CE3 TRP A 6 5.638 -2.760 4.428 1.00 0.00 C ATOM 85 CZ2 TRP A 6 6.058 -4.988 6.088 1.00 0.00 C ATOM 86 CZ3 TRP A 6 6.427 -3.837 3.987 1.00 0.00 C ATOM 87 CH2 TRP A 6 6.636 -4.948 4.817 1.00 0.00 C ATOM 0 H TRP A 6 1.599 1.090 4.579 1.00 0.00 H new ATOM 0 HA TRP A 6 3.313 -1.233 3.963 1.00 0.00 H new ATOM 0 HB2 TRP A 6 4.533 0.151 5.786 1.00 0.00 H new ATOM 0 HB3 TRP A 6 3.119 -0.054 6.802 1.00 0.00 H new ATOM 0 HD1 TRP A 6 3.344 -1.992 8.418 1.00 0.00 H new ATOM 0 HE1 TRP A 6 4.548 -4.277 8.488 1.00 0.00 H new ATOM 0 HE3 TRP A 6 5.483 -1.909 3.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 6.216 -5.842 6.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 6.874 -3.809 3.004 1.00 0.00 H new ATOM 0 HH2 TRP A 6 7.244 -5.772 4.474 1.00 0.00 H new ATOM 98 N TRP A 7 0.518 -1.283 4.273 1.00 0.00 N ATOM 99 CA TRP A 7 -0.753 -2.013 4.552 1.00 0.00 C ATOM 100 C TRP A 7 -0.843 -3.244 3.654 1.00 0.00 C ATOM 101 O TRP A 7 -0.169 -3.329 2.647 1.00 0.00 O ATOM 102 CB TRP A 7 -1.867 -1.011 4.239 1.00 0.00 C ATOM 103 CG TRP A 7 -2.055 -0.101 5.413 1.00 0.00 C ATOM 104 CD1 TRP A 7 -1.359 -0.176 6.571 1.00 0.00 C ATOM 105 CD2 TRP A 7 -2.978 1.018 5.564 1.00 0.00 C ATOM 106 NE1 TRP A 7 -1.800 0.818 7.426 1.00 0.00 N ATOM 107 CE2 TRP A 7 -2.795 1.581 6.850 1.00 0.00 C ATOM 108 CE3 TRP A 7 -3.946 1.592 4.721 1.00 0.00 C ATOM 109 CZ2 TRP A 7 -3.547 2.675 7.282 1.00 0.00 C ATOM 110 CZ3 TRP A 7 -4.704 2.694 5.153 1.00 0.00 C ATOM 111 CH2 TRP A 7 -4.504 3.234 6.431 1.00 0.00 C ATOM 0 H TRP A 7 0.513 -0.701 3.435 1.00 0.00 H new ATOM 0 HA TRP A 7 -0.821 -2.367 5.581 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.612 -0.431 3.352 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.796 -1.538 4.020 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -0.584 -0.896 6.792 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -1.435 0.968 8.366 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.108 1.183 3.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -3.390 3.087 8.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.444 3.127 4.497 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.089 4.081 6.758 1.00 0.00 H new ATOM 122 N LYS A 8 -1.651 -4.209 4.020 1.00 0.00 N ATOM 123 CA LYS A 8 -1.764 -5.450 3.190 1.00 0.00 C ATOM 124 C LYS A 8 -1.660 -5.113 1.706 1.00 0.00 C ATOM 125 O LYS A 8 -1.996 -4.028 1.276 1.00 0.00 O ATOM 126 CB LYS A 8 -3.134 -6.079 3.491 1.00 0.00 C ATOM 127 CG LYS A 8 -4.120 -5.042 4.040 1.00 0.00 C ATOM 128 CD LYS A 8 -5.536 -5.618 3.994 1.00 0.00 C ATOM 129 CE LYS A 8 -6.073 -5.766 5.419 1.00 0.00 C ATOM 130 NZ LYS A 8 -6.938 -4.572 5.629 1.00 0.00 N ATOM 0 H LYS A 8 -2.236 -4.192 4.855 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.957 -6.142 3.431 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.540 -6.522 2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.014 -6.886 4.213 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.855 -4.778 5.064 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.068 -4.126 3.451 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.188 -4.964 3.415 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.530 -6.586 3.494 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.640 -6.690 5.533 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.261 -5.798 6.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.344 -4.601 6.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.369 -3.708 5.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.706 -4.572 4.927 1.00 0.00 H new ATOM 144 N CYS A 9 -1.181 -6.035 0.924 1.00 0.00 N ATOM 145 CA CYS A 9 -1.037 -5.767 -0.535 1.00 0.00 C ATOM 146 C CYS A 9 -1.067 -7.070 -1.332 1.00 0.00 C ATOM 147 O CYS A 9 -0.459 -8.054 -0.959 1.00 0.00 O ATOM 148 CB CYS A 9 0.330 -5.106 -0.674 1.00 0.00 C ATOM 149 SG CYS A 9 1.607 -6.297 -0.201 1.00 0.00 S ATOM 0 H CYS A 9 -0.883 -6.962 1.229 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.847 -5.145 -0.915 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.486 -4.774 -1.700 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.387 -4.221 -0.041 1.00 0.00 H new ATOM 154 N ASN A 10 -1.762 -7.078 -2.433 1.00 0.00 N ATOM 155 CA ASN A 10 -1.829 -8.305 -3.264 1.00 0.00 C ATOM 156 C ASN A 10 -1.499 -7.963 -4.720 1.00 0.00 C ATOM 157 O ASN A 10 -2.124 -7.103 -5.311 1.00 0.00 O ATOM 158 CB ASN A 10 -3.275 -8.788 -3.145 1.00 0.00 C ATOM 159 CG ASN A 10 -4.229 -7.592 -3.172 1.00 0.00 C ATOM 160 OD1 ASN A 10 -3.846 -6.502 -3.547 1.00 0.00 O ATOM 161 ND2 ASN A 10 -5.465 -7.750 -2.786 1.00 0.00 N ATOM 0 H ASN A 10 -2.289 -6.282 -2.793 1.00 0.00 H new ATOM 0 HA ASN A 10 -1.119 -9.066 -2.940 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.508 -9.469 -3.964 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.405 -9.347 -2.218 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -6.109 -6.959 -2.799 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.788 -8.665 -2.471 1.00 0.00 H new ATOM 168 N PRO A 11 -0.528 -8.652 -5.254 1.00 0.00 N ATOM 169 CA PRO A 11 -0.112 -8.427 -6.662 1.00 0.00 C ATOM 170 C PRO A 11 -1.272 -8.723 -7.616 1.00 0.00 C ATOM 171 O PRO A 11 -1.238 -8.368 -8.778 1.00 0.00 O ATOM 172 CB PRO A 11 1.051 -9.405 -6.848 1.00 0.00 C ATOM 173 CG PRO A 11 0.826 -10.446 -5.803 1.00 0.00 C ATOM 174 CD PRO A 11 0.265 -9.705 -4.620 1.00 0.00 C ATOM 0 HA PRO A 11 0.179 -7.398 -6.875 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.051 -9.838 -7.848 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.013 -8.910 -6.716 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.133 -11.211 -6.153 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.756 -10.952 -5.545 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.347 -10.350 -3.990 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.052 -9.295 -3.987 1.00 0.00 H new ATOM 182 N ASN A 12 -2.313 -9.343 -7.129 1.00 0.00 N ATOM 183 CA ASN A 12 -3.486 -9.628 -8.004 1.00 0.00 C ATOM 184 C ASN A 12 -4.340 -8.364 -8.111 1.00 0.00 C ATOM 185 O ASN A 12 -4.973 -8.103 -9.114 1.00 0.00 O ATOM 186 CB ASN A 12 -4.259 -10.740 -7.293 1.00 0.00 C ATOM 187 CG ASN A 12 -5.120 -11.495 -8.308 1.00 0.00 C ATOM 188 OD1 ASN A 12 -6.312 -11.642 -8.121 1.00 0.00 O ATOM 189 ND2 ASN A 12 -4.564 -11.986 -9.382 1.00 0.00 N ATOM 0 H ASN A 12 -2.402 -9.664 -6.165 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.201 -9.927 -9.013 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.565 -11.426 -6.807 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.888 -10.316 -6.510 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.130 -12.492 -10.063 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.564 -11.863 -9.540 1.00 0.00 H new ATOM 196 N ASP A 13 -4.345 -7.574 -7.072 1.00 0.00 N ATOM 197 CA ASP A 13 -5.136 -6.313 -7.082 1.00 0.00 C ATOM 198 C ASP A 13 -4.467 -5.290 -6.163 1.00 0.00 C ATOM 199 O ASP A 13 -5.103 -4.654 -5.347 1.00 0.00 O ATOM 200 CB ASP A 13 -6.517 -6.700 -6.550 1.00 0.00 C ATOM 201 CG ASP A 13 -7.588 -6.308 -7.570 1.00 0.00 C ATOM 202 OD1 ASP A 13 -7.231 -6.065 -8.711 1.00 0.00 O ATOM 203 OD2 ASP A 13 -8.747 -6.260 -7.191 1.00 0.00 O ATOM 0 H ASP A 13 -3.830 -7.751 -6.210 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.205 -5.866 -8.074 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.557 -7.772 -6.359 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.705 -6.200 -5.600 1.00 0.00 H new ATOM 208 N ASP A 14 -3.177 -5.139 -6.294 1.00 0.00 N ATOM 209 CA ASP A 14 -2.441 -4.167 -5.434 1.00 0.00 C ATOM 210 C ASP A 14 -3.217 -2.854 -5.335 1.00 0.00 C ATOM 211 O ASP A 14 -3.798 -2.393 -6.298 1.00 0.00 O ATOM 212 CB ASP A 14 -1.105 -3.947 -6.144 1.00 0.00 C ATOM 213 CG ASP A 14 -0.113 -3.294 -5.179 1.00 0.00 C ATOM 214 OD1 ASP A 14 -0.508 -2.364 -4.495 1.00 0.00 O ATOM 215 OD2 ASP A 14 1.024 -3.734 -5.141 1.00 0.00 O ATOM 0 H ASP A 14 -2.599 -5.649 -6.962 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.308 -4.534 -4.416 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.709 -4.898 -6.500 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.247 -3.314 -7.020 1.00 0.00 H new ATOM 220 N LYS A 15 -3.235 -2.245 -4.181 1.00 0.00 N ATOM 221 CA LYS A 15 -3.979 -0.963 -4.038 1.00 0.00 C ATOM 222 C LYS A 15 -3.126 0.093 -3.327 1.00 0.00 C ATOM 223 O LYS A 15 -3.463 1.261 -3.328 1.00 0.00 O ATOM 224 CB LYS A 15 -5.215 -1.303 -3.205 1.00 0.00 C ATOM 225 CG LYS A 15 -6.081 -0.049 -3.051 1.00 0.00 C ATOM 226 CD LYS A 15 -7.369 -0.211 -3.863 1.00 0.00 C ATOM 227 CE LYS A 15 -7.715 1.116 -4.545 1.00 0.00 C ATOM 228 NZ LYS A 15 -8.223 0.733 -5.893 1.00 0.00 N ATOM 0 H LYS A 15 -2.770 -2.577 -3.336 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.243 -0.544 -5.009 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.786 -2.096 -3.687 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.916 -1.676 -2.225 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.320 0.113 -2.000 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.532 0.829 -3.392 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.244 -0.994 -4.611 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.186 -0.520 -3.211 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.468 1.666 -3.980 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.840 1.761 -4.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.482 1.590 -6.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.482 0.217 -6.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.060 0.125 -5.789 1.00 0.00 H new ATOM 242 N CYS A 16 -2.027 -0.290 -2.722 1.00 0.00 N ATOM 243 CA CYS A 16 -1.185 0.731 -2.028 1.00 0.00 C ATOM 244 C CYS A 16 -1.055 1.963 -2.919 1.00 0.00 C ATOM 245 O CYS A 16 -1.094 1.864 -4.130 1.00 0.00 O ATOM 246 CB CYS A 16 0.187 0.081 -1.814 1.00 0.00 C ATOM 247 SG CYS A 16 1.209 1.177 -0.789 1.00 0.00 S ATOM 0 H CYS A 16 -1.682 -1.249 -2.679 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.620 1.044 -1.079 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.072 -0.889 -1.329 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.672 -0.098 -2.773 1.00 0.00 H new ATOM 252 N CYS A 17 -0.911 3.122 -2.338 1.00 0.00 N ATOM 253 CA CYS A 17 -0.787 4.353 -3.166 1.00 0.00 C ATOM 254 C CYS A 17 0.133 4.074 -4.353 1.00 0.00 C ATOM 255 O CYS A 17 1.005 3.231 -4.282 1.00 0.00 O ATOM 256 CB CYS A 17 -0.178 5.401 -2.234 1.00 0.00 C ATOM 257 SG CYS A 17 -1.215 5.573 -0.756 1.00 0.00 S ATOM 0 H CYS A 17 -0.874 3.269 -1.329 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.741 4.690 -3.570 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.832 5.107 -1.950 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.099 6.358 -2.749 1.00 0.00 H new ATOM 262 N ARG A 18 -0.054 4.755 -5.451 1.00 0.00 N ATOM 263 CA ARG A 18 0.821 4.488 -6.627 1.00 0.00 C ATOM 264 C ARG A 18 1.818 5.630 -6.906 1.00 0.00 C ATOM 265 O ARG A 18 2.247 5.783 -8.033 1.00 0.00 O ATOM 266 CB ARG A 18 -0.145 4.328 -7.802 1.00 0.00 C ATOM 267 CG ARG A 18 -1.145 5.486 -7.809 1.00 0.00 C ATOM 268 CD ARG A 18 -2.473 5.019 -7.211 1.00 0.00 C ATOM 269 NE ARG A 18 -3.027 4.058 -8.205 1.00 0.00 N ATOM 270 CZ ARG A 18 -3.653 4.500 -9.261 1.00 0.00 C ATOM 271 NH1 ARG A 18 -4.868 4.963 -9.153 1.00 0.00 N ATOM 272 NH2 ARG A 18 -3.063 4.482 -10.425 1.00 0.00 N ATOM 0 H ARG A 18 -0.764 5.475 -5.584 1.00 0.00 H new ATOM 0 HA ARG A 18 1.439 3.607 -6.454 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.409 4.308 -8.741 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.674 3.378 -7.723 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.750 6.324 -7.235 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.298 5.842 -8.828 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.324 4.542 -6.242 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.151 5.858 -7.053 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.917 3.054 -8.060 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.328 4.979 -8.243 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.357 5.309 -9.979 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.112 4.122 -10.509 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.553 4.828 -11.250 1.00 0.00 H new ATOM 286 N PRO A 19 2.194 6.386 -5.894 1.00 0.00 N ATOM 287 CA PRO A 19 3.175 7.468 -6.118 1.00 0.00 C ATOM 288 C PRO A 19 4.577 6.863 -6.193 1.00 0.00 C ATOM 289 O PRO A 19 5.467 7.400 -6.821 1.00 0.00 O ATOM 290 CB PRO A 19 3.038 8.352 -4.886 1.00 0.00 C ATOM 291 CG PRO A 19 2.508 7.453 -3.816 1.00 0.00 C ATOM 292 CD PRO A 19 1.764 6.326 -4.490 1.00 0.00 C ATOM 0 HA PRO A 19 3.010 8.023 -7.042 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.999 8.781 -4.600 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.360 9.185 -5.072 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.323 7.063 -3.206 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.845 8.003 -3.148 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.010 5.364 -4.041 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.685 6.453 -4.400 1.00 0.00 H new ATOM 300 N LYS A 20 4.771 5.737 -5.552 1.00 0.00 N ATOM 301 CA LYS A 20 6.109 5.074 -5.577 1.00 0.00 C ATOM 302 C LYS A 20 6.142 3.879 -4.612 1.00 0.00 C ATOM 303 O LYS A 20 7.146 3.616 -3.979 1.00 0.00 O ATOM 304 CB LYS A 20 7.099 6.151 -5.126 1.00 0.00 C ATOM 305 CG LYS A 20 6.532 6.909 -3.924 1.00 0.00 C ATOM 306 CD LYS A 20 7.618 7.810 -3.331 1.00 0.00 C ATOM 307 CE LYS A 20 7.347 9.264 -3.727 1.00 0.00 C ATOM 308 NZ LYS A 20 8.553 9.684 -4.493 1.00 0.00 N ATOM 0 H LYS A 20 4.058 5.248 -5.011 1.00 0.00 H new ATOM 0 HA LYS A 20 6.349 4.685 -6.566 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.052 5.693 -4.862 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.294 6.844 -5.945 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.674 7.508 -4.230 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.177 6.205 -3.171 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.632 7.714 -2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.599 7.501 -3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.445 9.347 -4.334 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.199 9.892 -2.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.443 10.672 -4.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.395 9.601 -3.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.665 9.073 -5.327 1.00 0.00 H new ATOM 322 N LEU A 21 5.063 3.150 -4.494 1.00 0.00 N ATOM 323 CA LEU A 21 5.062 1.975 -3.568 1.00 0.00 C ATOM 324 C LEU A 21 4.729 0.687 -4.324 1.00 0.00 C ATOM 325 O LEU A 21 4.310 0.707 -5.465 1.00 0.00 O ATOM 326 CB LEU A 21 3.976 2.265 -2.533 1.00 0.00 C ATOM 327 CG LEU A 21 4.351 3.515 -1.732 1.00 0.00 C ATOM 328 CD1 LEU A 21 3.607 4.727 -2.296 1.00 0.00 C ATOM 329 CD2 LEU A 21 3.960 3.317 -0.267 1.00 0.00 C ATOM 0 H LEU A 21 4.189 3.314 -4.993 1.00 0.00 H new ATOM 0 HA LEU A 21 6.040 1.834 -3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.017 2.413 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.861 1.413 -1.863 1.00 0.00 H new ATOM 0 HG LEU A 21 5.426 3.682 -1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.875 5.616 -1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.883 4.870 -3.341 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.532 4.560 -2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.227 4.206 0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.885 3.149 -0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.489 2.454 0.137 1.00 0.00 H new ATOM 341 N LYS A 22 4.902 -0.433 -3.681 1.00 0.00 N ATOM 342 CA LYS A 22 4.590 -1.733 -4.326 1.00 0.00 C ATOM 343 C LYS A 22 4.442 -2.825 -3.262 1.00 0.00 C ATOM 344 O LYS A 22 5.206 -2.891 -2.320 1.00 0.00 O ATOM 345 CB LYS A 22 5.778 -2.030 -5.242 1.00 0.00 C ATOM 346 CG LYS A 22 5.695 -3.479 -5.731 1.00 0.00 C ATOM 347 CD LYS A 22 6.594 -3.658 -6.956 1.00 0.00 C ATOM 348 CE LYS A 22 8.059 -3.668 -6.514 1.00 0.00 C ATOM 349 NZ LYS A 22 8.807 -3.042 -7.642 1.00 0.00 N ATOM 0 H LYS A 22 5.251 -0.501 -2.725 1.00 0.00 H new ATOM 0 HA LYS A 22 3.654 -1.700 -4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.775 -1.347 -6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.713 -1.869 -4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.004 -4.160 -4.938 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.665 -3.730 -5.983 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.350 -4.590 -7.467 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.423 -2.850 -7.668 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.196 -3.107 -5.590 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.407 -4.683 -6.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.515 -2.380 -7.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.285 -3.782 -8.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.143 -2.526 -8.255 1.00 0.00 H new ATOM 363 N CYS A 23 3.465 -3.680 -3.400 1.00 0.00 N ATOM 364 CA CYS A 23 3.274 -4.762 -2.389 1.00 0.00 C ATOM 365 C CYS A 23 4.619 -5.367 -1.978 1.00 0.00 C ATOM 366 O CYS A 23 5.525 -5.506 -2.775 1.00 0.00 O ATOM 367 CB CYS A 23 2.414 -5.825 -3.081 1.00 0.00 C ATOM 368 SG CYS A 23 2.120 -7.197 -1.936 1.00 0.00 S ATOM 0 H CYS A 23 2.792 -3.677 -4.166 1.00 0.00 H new ATOM 0 HA CYS A 23 2.805 -4.378 -1.483 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.466 -5.392 -3.398 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.915 -6.187 -3.979 1.00 0.00 H new ATOM 373 N SER A 24 4.739 -5.735 -0.735 1.00 0.00 N ATOM 374 CA SER A 24 6.000 -6.347 -0.238 1.00 0.00 C ATOM 375 C SER A 24 5.700 -7.735 0.329 1.00 0.00 C ATOM 376 O SER A 24 5.165 -7.870 1.418 1.00 0.00 O ATOM 377 CB SER A 24 6.481 -5.416 0.872 1.00 0.00 C ATOM 378 OG SER A 24 7.748 -4.877 0.518 1.00 0.00 O ATOM 0 H SER A 24 4.006 -5.636 -0.032 1.00 0.00 H new ATOM 0 HA SER A 24 6.748 -6.464 -1.022 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.761 -4.612 1.025 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.555 -5.961 1.813 1.00 0.00 H new ATOM 0 HG SER A 24 8.200 -4.549 1.323 1.00 0.00 H new ATOM 384 N LYS A 25 6.031 -8.764 -0.404 1.00 0.00 N ATOM 385 CA LYS A 25 5.765 -10.147 0.081 1.00 0.00 C ATOM 386 C LYS A 25 6.517 -10.397 1.389 1.00 0.00 C ATOM 387 O LYS A 25 6.134 -11.231 2.186 1.00 0.00 O ATOM 388 CB LYS A 25 6.295 -11.060 -1.024 1.00 0.00 C ATOM 389 CG LYS A 25 7.770 -10.746 -1.285 1.00 0.00 C ATOM 390 CD LYS A 25 8.389 -11.861 -2.130 1.00 0.00 C ATOM 391 CE LYS A 25 8.587 -11.363 -3.564 1.00 0.00 C ATOM 392 NZ LYS A 25 10.049 -11.492 -3.819 1.00 0.00 N ATOM 0 H LYS A 25 6.475 -8.705 -1.320 1.00 0.00 H new ATOM 0 HA LYS A 25 4.708 -10.321 0.282 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.181 -12.104 -0.733 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.715 -10.918 -1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.863 -9.790 -1.801 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.305 -10.652 -0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.345 -12.167 -1.704 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.742 -12.738 -2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.009 -11.958 -4.272 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.257 -10.330 -3.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.263 -11.169 -4.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.573 -10.910 -3.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.333 -12.487 -3.716 1.00 0.00 H new ATOM 406 N LEU A 26 7.586 -9.681 1.616 1.00 0.00 N ATOM 407 CA LEU A 26 8.359 -9.879 2.873 1.00 0.00 C ATOM 408 C LEU A 26 7.404 -10.032 4.058 1.00 0.00 C ATOM 409 O LEU A 26 7.591 -10.876 4.912 1.00 0.00 O ATOM 410 CB LEU A 26 9.211 -8.618 3.023 1.00 0.00 C ATOM 411 CG LEU A 26 10.671 -8.954 2.704 1.00 0.00 C ATOM 412 CD1 LEU A 26 11.240 -7.909 1.743 1.00 0.00 C ATOM 413 CD2 LEU A 26 11.491 -8.955 3.997 1.00 0.00 C ATOM 0 H LEU A 26 7.956 -8.969 0.986 1.00 0.00 H new ATOM 0 HA LEU A 26 8.974 -10.778 2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.850 -7.839 2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.129 -8.228 4.037 1.00 0.00 H new ATOM 0 HG LEU A 26 10.721 -9.939 2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.279 -8.150 1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.659 -7.908 0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.188 -6.923 2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.530 -9.194 3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.439 -7.970 4.462 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.089 -9.701 4.682 1.00 0.00 H new ATOM 425 N PHE A 27 6.377 -9.228 4.115 1.00 0.00 N ATOM 426 CA PHE A 27 5.412 -9.342 5.246 1.00 0.00 C ATOM 427 C PHE A 27 3.974 -9.176 4.747 1.00 0.00 C ATOM 428 O PHE A 27 3.046 -9.133 5.527 1.00 0.00 O ATOM 429 CB PHE A 27 5.771 -8.211 6.196 1.00 0.00 C ATOM 430 CG PHE A 27 6.971 -8.614 7.017 1.00 0.00 C ATOM 431 CD1 PHE A 27 6.829 -9.553 8.044 1.00 0.00 C ATOM 432 CD2 PHE A 27 8.226 -8.056 6.747 1.00 0.00 C ATOM 433 CE1 PHE A 27 7.941 -9.934 8.803 1.00 0.00 C ATOM 434 CE2 PHE A 27 9.339 -8.438 7.505 1.00 0.00 C ATOM 435 CZ PHE A 27 9.196 -9.376 8.534 1.00 0.00 C ATOM 0 H PHE A 27 6.165 -8.501 3.432 1.00 0.00 H new ATOM 0 HA PHE A 27 5.471 -10.318 5.729 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.989 -7.303 5.634 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.927 -7.987 6.849 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.861 -9.984 8.251 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.336 -7.331 5.954 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.831 -10.659 9.596 1.00 0.00 H new ATOM 0 HE2 PHE A 27 10.308 -8.009 7.296 1.00 0.00 H new ATOM 0 HZ PHE A 27 10.054 -9.669 9.120 1.00 0.00 H new ATOM 445 N LYS A 28 3.789 -9.091 3.453 1.00 0.00 N ATOM 446 CA LYS A 28 2.413 -8.938 2.871 1.00 0.00 C ATOM 447 C LYS A 28 1.924 -7.489 2.986 1.00 0.00 C ATOM 448 O LYS A 28 0.739 -7.221 2.929 1.00 0.00 O ATOM 449 CB LYS A 28 1.495 -9.877 3.667 1.00 0.00 C ATOM 450 CG LYS A 28 2.229 -11.184 3.986 1.00 0.00 C ATOM 451 CD LYS A 28 1.396 -12.371 3.492 1.00 0.00 C ATOM 452 CE LYS A 28 2.318 -13.545 3.148 1.00 0.00 C ATOM 453 NZ LYS A 28 2.950 -13.938 4.440 1.00 0.00 N ATOM 0 H LYS A 28 4.540 -9.121 2.764 1.00 0.00 H new ATOM 0 HA LYS A 28 2.413 -9.188 1.810 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.180 -9.393 4.591 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.592 -10.088 3.094 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.209 -11.189 3.508 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.398 -11.266 5.060 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.682 -12.670 4.259 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.818 -12.081 2.614 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.756 -14.373 2.716 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.070 -13.253 2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.359 -14.890 4.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.701 -13.260 4.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.231 -13.939 5.192 1.00 0.00 H new ATOM 467 N LEU A 29 2.822 -6.548 3.112 1.00 0.00 N ATOM 468 CA LEU A 29 2.390 -5.117 3.192 1.00 0.00 C ATOM 469 C LEU A 29 2.935 -4.378 1.978 1.00 0.00 C ATOM 470 O LEU A 29 3.703 -4.921 1.220 1.00 0.00 O ATOM 471 CB LEU A 29 2.998 -4.536 4.475 1.00 0.00 C ATOM 472 CG LEU A 29 2.396 -5.210 5.718 1.00 0.00 C ATOM 473 CD1 LEU A 29 0.901 -5.467 5.506 1.00 0.00 C ATOM 474 CD2 LEU A 29 3.110 -6.536 5.986 1.00 0.00 C ATOM 0 H LEU A 29 3.829 -6.704 3.163 1.00 0.00 H new ATOM 0 HA LEU A 29 1.304 -5.022 3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.079 -4.677 4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.817 -3.462 4.515 1.00 0.00 H new ATOM 0 HG LEU A 29 2.526 -4.549 6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.485 -5.945 6.393 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.390 -4.520 5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.763 -6.119 4.644 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.679 -7.009 6.868 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.990 -7.194 5.126 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.171 -6.350 6.155 1.00 0.00 H new ATOM 486 N CYS A 30 2.556 -3.151 1.777 1.00 0.00 N ATOM 487 CA CYS A 30 3.080 -2.422 0.594 1.00 0.00 C ATOM 488 C CYS A 30 4.240 -1.513 0.999 1.00 0.00 C ATOM 489 O CYS A 30 4.150 -0.766 1.948 1.00 0.00 O ATOM 490 CB CYS A 30 1.885 -1.630 0.051 1.00 0.00 C ATOM 491 SG CYS A 30 1.784 0.028 0.772 1.00 0.00 S ATOM 0 H CYS A 30 1.915 -2.626 2.372 1.00 0.00 H new ATOM 0 HA CYS A 30 3.482 -3.090 -0.168 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.966 -1.549 -1.033 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.964 -2.174 0.262 1.00 0.00 H new ATOM 496 N ASN A 31 5.328 -1.577 0.287 1.00 0.00 N ATOM 497 CA ASN A 31 6.495 -0.716 0.637 1.00 0.00 C ATOM 498 C ASN A 31 6.890 0.158 -0.557 1.00 0.00 C ATOM 499 O ASN A 31 6.060 0.562 -1.346 1.00 0.00 O ATOM 500 CB ASN A 31 7.620 -1.693 0.985 1.00 0.00 C ATOM 501 CG ASN A 31 8.588 -1.028 1.967 1.00 0.00 C ATOM 502 OD1 ASN A 31 9.039 0.078 1.739 1.00 0.00 O ATOM 503 ND2 ASN A 31 8.931 -1.659 3.056 1.00 0.00 N ATOM 0 H ASN A 31 5.462 -2.186 -0.520 1.00 0.00 H new ATOM 0 HA ASN A 31 6.274 -0.039 1.462 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.205 -2.600 1.425 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.150 -1.991 0.080 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.577 -1.225 3.715 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.553 -2.587 3.248 1.00 0.00 H new ATOM 510 N PHE A 32 8.154 0.454 -0.695 1.00 0.00 N ATOM 511 CA PHE A 32 8.603 1.302 -1.835 1.00 0.00 C ATOM 512 C PHE A 32 8.346 0.583 -3.161 1.00 0.00 C ATOM 513 O PHE A 32 7.719 -0.456 -3.204 1.00 0.00 O ATOM 514 CB PHE A 32 10.104 1.497 -1.615 1.00 0.00 C ATOM 515 CG PHE A 32 10.328 2.622 -0.632 1.00 0.00 C ATOM 516 CD1 PHE A 32 9.930 3.924 -0.954 1.00 0.00 C ATOM 517 CD2 PHE A 32 10.933 2.360 0.603 1.00 0.00 C ATOM 518 CE1 PHE A 32 10.138 4.966 -0.042 1.00 0.00 C ATOM 519 CE2 PHE A 32 11.141 3.402 1.515 1.00 0.00 C ATOM 520 CZ PHE A 32 10.744 4.705 1.192 1.00 0.00 C ATOM 0 H PHE A 32 8.895 0.145 -0.067 1.00 0.00 H new ATOM 0 HA PHE A 32 8.070 2.252 -1.879 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.550 0.576 -1.238 1.00 0.00 H new ATOM 0 HB3 PHE A 32 10.594 1.724 -2.562 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.462 4.125 -1.906 1.00 0.00 H new ATOM 0 HD2 PHE A 32 11.239 1.355 0.852 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.831 5.971 -0.291 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.608 3.200 2.468 1.00 0.00 H new ATOM 0 HZ PHE A 32 10.905 5.509 1.895 1.00 0.00 H new ATOM 530 N SER A 33 8.828 1.129 -4.244 1.00 0.00 N ATOM 531 CA SER A 33 8.615 0.478 -5.567 1.00 0.00 C ATOM 532 C SER A 33 9.946 -0.033 -6.123 1.00 0.00 C ATOM 533 O SER A 33 10.334 -1.162 -5.892 1.00 0.00 O ATOM 534 CB SER A 33 8.047 1.578 -6.462 1.00 0.00 C ATOM 535 OG SER A 33 8.062 1.136 -7.813 1.00 0.00 O ATOM 0 H SER A 33 9.361 1.999 -4.269 1.00 0.00 H new ATOM 0 HA SER A 33 7.946 -0.381 -5.503 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.029 1.821 -6.158 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.637 2.489 -6.358 1.00 0.00 H new ATOM 0 HG SER A 33 8.688 1.685 -8.330 1.00 0.00 H new ATOM 541 N PHE A 34 10.649 0.789 -6.852 1.00 0.00 N ATOM 542 CA PHE A 34 11.957 0.351 -7.422 1.00 0.00 C ATOM 543 C PHE A 34 13.054 1.359 -7.065 1.00 0.00 C ATOM 544 O PHE A 34 12.936 1.991 -6.016 1.00 0.00 O ATOM 545 CB PHE A 34 11.742 0.305 -8.936 1.00 0.00 C ATOM 546 CG PHE A 34 10.990 1.536 -9.384 1.00 0.00 C ATOM 547 CD1 PHE A 34 11.604 2.793 -9.324 1.00 0.00 C ATOM 548 CD2 PHE A 34 9.679 1.421 -9.861 1.00 0.00 C ATOM 549 CE1 PHE A 34 10.907 3.933 -9.741 1.00 0.00 C ATOM 550 CE2 PHE A 34 8.982 2.561 -10.278 1.00 0.00 C ATOM 551 CZ PHE A 34 9.596 3.817 -10.219 1.00 0.00 C ATOM 0 H PHE A 34 10.376 1.745 -7.078 1.00 0.00 H new ATOM 0 HA PHE A 34 12.273 -0.615 -7.029 1.00 0.00 H new ATOM 0 HB2 PHE A 34 12.703 0.249 -9.447 1.00 0.00 H new ATOM 0 HB3 PHE A 34 11.184 -0.592 -9.206 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.615 2.883 -8.956 1.00 0.00 H new ATOM 0 HD2 PHE A 34 9.205 0.452 -9.907 1.00 0.00 H new ATOM 0 HE1 PHE A 34 11.381 4.902 -9.694 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.970 2.471 -10.645 1.00 0.00 H new ATOM 0 HZ PHE A 34 9.059 4.697 -10.542 1.00 0.00 H new HETATM 561 N NH2 A 35 14.112 1.503 -7.939 1.00 0.00 N TER 564 NH2 A 35