USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 359 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 ALA N :NH3+ -118:sc= 0.0693 (180deg=-0.00615) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.917 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 103:sc= -3.36! USER MOD Single : A 16 ASN : amide:sc= -0.075 K(o=-0.075,f=-1.5!) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0115 USER MOD Single : A 23 ASN :FLIP amide:sc= -5.97! C(o=-7.2!,f=-6!) USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= -2.87 (180deg=-3.14) USER MOD Single : A 28 ASN :FLIP amide:sc= -2.57! C(o=-8.5!,f=-2.6!) USER MOD Single : A 43 LYS NZ :NH3+ 143:sc= -2.8! (180deg=-4.93!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -148:sc= -0.103 (180deg=-0.778) USER MOD Single : A 52 SER OG : rot -101:sc= 1.12 USER MOD Single : A 53 ASN : amide:sc= -0.883 K(o=-0.88,f=-7.7!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.38! C(o=-1.4!,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.339 -13.925 -4.531 1.00 0.00 N ATOM 2 CA ALA A 1 3.525 -13.656 -3.316 1.00 0.00 C ATOM 3 C ALA A 1 2.104 -13.228 -3.692 1.00 0.00 C ATOM 4 O ALA A 1 1.833 -12.895 -4.846 1.00 0.00 O ATOM 5 CB ALA A 1 4.195 -12.586 -2.462 1.00 0.00 C ATOM 0 H1 ALA A 1 4.637 -14.921 -4.536 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.771 -13.730 -5.380 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.179 -13.312 -4.528 1.00 0.00 H new ATOM 0 HA ALA A 1 3.457 -14.578 -2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.590 -12.397 -1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.185 -12.928 -2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.290 -11.666 -3.039 1.00 0.00 H new ATOM 13 N PRO A 2 1.180 -13.230 -2.714 1.00 0.00 N ATOM 14 CA PRO A 2 -0.224 -12.837 -2.927 1.00 0.00 C ATOM 15 C PRO A 2 -0.348 -11.486 -3.622 1.00 0.00 C ATOM 16 O PRO A 2 0.613 -10.730 -3.711 1.00 0.00 O ATOM 17 CB PRO A 2 -0.802 -12.831 -1.492 1.00 0.00 C ATOM 18 CG PRO A 2 0.387 -12.797 -0.597 1.00 0.00 C ATOM 19 CD PRO A 2 1.424 -13.603 -1.312 1.00 0.00 C ATOM 0 HA PRO A 2 -0.762 -13.511 -3.593 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.444 -11.965 -1.329 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.409 -13.717 -1.308 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.727 -11.775 -0.428 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.159 -13.222 0.380 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.434 -13.348 -0.991 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.297 -14.673 -1.145 1.00 0.00 H new ATOM 24 N TRP A 3 -1.534 -11.202 -4.120 1.00 0.00 N ATOM 25 CA TRP A 3 -1.791 -9.966 -4.846 1.00 0.00 C ATOM 26 C TRP A 3 -3.066 -9.312 -4.349 1.00 0.00 C ATOM 27 O TRP A 3 -3.943 -9.963 -3.782 1.00 0.00 O ATOM 28 CB TRP A 3 -1.889 -10.272 -6.339 1.00 0.00 C ATOM 29 CG TRP A 3 -3.094 -11.060 -6.691 1.00 0.00 C ATOM 30 CD1 TRP A 3 -3.225 -12.413 -6.806 1.00 0.00 C ATOM 31 CD2 TRP A 3 -4.351 -10.505 -6.976 1.00 0.00 C ATOM 32 NE1 TRP A 3 -4.520 -12.724 -7.153 1.00 0.00 N ATOM 33 CE2 TRP A 3 -5.234 -11.554 -7.267 1.00 0.00 C ATOM 34 CE3 TRP A 3 -4.801 -9.204 -7.011 1.00 0.00 C ATOM 35 CZ2 TRP A 3 -6.570 -11.317 -7.595 1.00 0.00 C ATOM 36 CZ3 TRP A 3 -6.096 -8.966 -7.328 1.00 0.00 C ATOM 37 CH2 TRP A 3 -6.983 -10.007 -7.621 1.00 0.00 C ATOM 0 H TRP A 3 -2.345 -11.815 -4.036 1.00 0.00 H new ATOM 0 HA TRP A 3 -0.970 -9.270 -4.675 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -1.899 -9.335 -6.896 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -1.000 -10.819 -6.651 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -2.433 -13.131 -6.649 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -4.888 -13.664 -7.301 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -4.132 -8.386 -6.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -7.248 -12.127 -7.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -6.453 -7.947 -7.355 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -8.008 -9.777 -7.871 1.00 0.00 H new ATOM 47 N ALA A 4 -3.148 -8.003 -4.576 1.00 0.00 N ATOM 48 CA ALA A 4 -4.306 -7.253 -4.135 1.00 0.00 C ATOM 49 C ALA A 4 -4.717 -6.162 -5.111 1.00 0.00 C ATOM 50 O ALA A 4 -3.938 -5.743 -5.961 1.00 0.00 O ATOM 51 CB ALA A 4 -4.054 -6.630 -2.773 1.00 0.00 C ATOM 0 H ALA A 4 -2.435 -7.453 -5.055 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.124 -7.971 -4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.936 -6.071 -2.460 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -3.845 -7.415 -2.047 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -3.200 -5.956 -2.834 1.00 0.00 H new ATOM 57 N THR A 5 -5.948 -5.721 -4.977 1.00 0.00 N ATOM 58 CA THR A 5 -6.483 -4.658 -5.808 1.00 0.00 C ATOM 59 C THR A 5 -6.802 -3.460 -4.951 1.00 0.00 C ATOM 60 O THR A 5 -7.156 -3.602 -3.780 1.00 0.00 O ATOM 61 CB THR A 5 -7.776 -5.080 -6.540 1.00 0.00 C ATOM 62 OG1 THR A 5 -7.524 -6.195 -7.391 1.00 0.00 O ATOM 63 CG2 THR A 5 -8.333 -3.941 -7.376 1.00 0.00 C ATOM 0 H THR A 5 -6.608 -6.087 -4.291 1.00 0.00 H new ATOM 0 HA THR A 5 -5.723 -4.423 -6.553 1.00 0.00 H new ATOM 0 HB THR A 5 -8.507 -5.352 -5.779 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.352 -6.452 -7.847 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.243 -4.270 -7.879 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.561 -3.093 -6.730 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.595 -3.641 -8.120 1.00 0.00 H new ATOM 71 N ALA A 6 -6.678 -2.274 -5.524 1.00 0.00 N ATOM 72 CA ALA A 6 -6.979 -1.049 -4.802 1.00 0.00 C ATOM 73 C ALA A 6 -8.470 -0.762 -4.846 1.00 0.00 C ATOM 74 O ALA A 6 -9.120 -0.928 -5.879 1.00 0.00 O ATOM 75 CB ALA A 6 -6.193 0.123 -5.378 1.00 0.00 C ATOM 0 H ALA A 6 -6.371 -2.134 -6.487 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.681 -1.181 -3.762 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.433 1.030 -4.823 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.125 -0.080 -5.297 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.458 0.258 -6.427 1.00 0.00 H new ATOM 81 N GLU A 7 -9.004 -0.327 -3.714 1.00 0.00 N ATOM 82 CA GLU A 7 -10.414 0.010 -3.602 1.00 0.00 C ATOM 83 C GLU A 7 -10.603 1.509 -3.374 1.00 0.00 C ATOM 84 O GLU A 7 -11.713 2.033 -3.477 1.00 0.00 O ATOM 85 CB GLU A 7 -11.066 -0.740 -2.439 1.00 0.00 C ATOM 86 CG GLU A 7 -10.959 -2.252 -2.551 1.00 0.00 C ATOM 87 CD GLU A 7 -11.995 -2.842 -3.488 1.00 0.00 C ATOM 88 OE1 GLU A 7 -12.189 -2.281 -4.587 1.00 0.00 O ATOM 89 OE2 GLU A 7 -12.613 -3.863 -3.122 1.00 0.00 O ATOM 0 H GLU A 7 -8.474 -0.198 -2.852 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.887 -0.282 -4.540 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.602 -0.420 -1.506 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.119 -0.462 -2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.962 -2.517 -2.904 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.075 -2.695 -1.562 1.00 0.00 H new ATOM 94 N TYR A 8 -9.499 2.194 -3.062 1.00 0.00 N ATOM 95 CA TYR A 8 -9.487 3.626 -2.806 1.00 0.00 C ATOM 96 C TYR A 8 -8.173 4.217 -3.274 1.00 0.00 C ATOM 97 O TYR A 8 -7.116 3.613 -3.090 1.00 0.00 O ATOM 98 CB TYR A 8 -9.640 3.849 -1.314 1.00 0.00 C ATOM 99 CG TYR A 8 -10.800 3.090 -0.760 1.00 0.00 C ATOM 100 CD1 TYR A 8 -12.076 3.613 -0.824 1.00 0.00 C ATOM 101 CD2 TYR A 8 -10.624 1.837 -0.205 1.00 0.00 C ATOM 102 CE1 TYR A 8 -13.154 2.912 -0.342 1.00 0.00 C ATOM 103 CE2 TYR A 8 -11.691 1.122 0.277 1.00 0.00 C ATOM 104 CZ TYR A 8 -12.961 1.660 0.209 1.00 0.00 C ATOM 105 OH TYR A 8 -14.036 0.949 0.690 1.00 0.00 O ATOM 0 H TYR A 8 -8.580 1.759 -2.981 1.00 0.00 H new ATOM 0 HA TYR A 8 -10.304 4.108 -3.344 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.727 3.542 -0.804 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.773 4.913 -1.116 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -12.229 4.589 -1.260 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.632 1.414 -0.150 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.146 3.337 -0.393 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.539 0.143 0.707 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.728 0.088 1.043 1.00 0.00 H new ATOM 114 N ASP A 9 -8.228 5.386 -3.874 1.00 0.00 N ATOM 115 CA ASP A 9 -7.042 6.079 -4.371 1.00 0.00 C ATOM 116 C ASP A 9 -6.104 6.374 -3.205 1.00 0.00 C ATOM 117 O ASP A 9 -6.171 7.442 -2.601 1.00 0.00 O ATOM 118 CB ASP A 9 -7.494 7.376 -5.032 1.00 0.00 C ATOM 119 CG ASP A 9 -7.944 7.171 -6.464 1.00 0.00 C ATOM 120 OD1 ASP A 9 -7.456 6.220 -7.111 1.00 0.00 O ATOM 121 OD2 ASP A 9 -8.785 7.962 -6.941 1.00 0.00 O ATOM 0 H ASP A 9 -9.099 5.892 -4.036 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.509 5.464 -5.096 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.312 7.808 -4.456 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.675 8.095 -5.011 1.00 0.00 H new ATOM 125 N TYR A 10 -5.219 5.429 -2.901 1.00 0.00 N ATOM 126 CA TYR A 10 -4.311 5.582 -1.760 1.00 0.00 C ATOM 127 C TYR A 10 -3.122 6.472 -2.080 1.00 0.00 C ATOM 128 O TYR A 10 -2.425 6.264 -3.073 1.00 0.00 O ATOM 129 CB TYR A 10 -3.825 4.225 -1.261 1.00 0.00 C ATOM 130 CG TYR A 10 -2.876 4.332 -0.096 1.00 0.00 C ATOM 131 CD1 TYR A 10 -3.201 5.093 1.019 1.00 0.00 C ATOM 132 CD2 TYR A 10 -1.653 3.681 -0.114 1.00 0.00 C ATOM 133 CE1 TYR A 10 -2.331 5.202 2.084 1.00 0.00 C ATOM 134 CE2 TYR A 10 -0.779 3.783 0.947 1.00 0.00 C ATOM 135 CZ TYR A 10 -1.121 4.542 2.042 1.00 0.00 C ATOM 136 OH TYR A 10 -0.240 4.646 3.093 1.00 0.00 O ATOM 0 H TYR A 10 -5.109 4.558 -3.420 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.885 6.068 -0.972 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.685 3.623 -0.968 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.331 3.699 -2.078 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.150 5.608 1.053 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.380 3.085 -0.972 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.595 5.800 2.944 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.170 3.269 0.919 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.276 3.828 3.632 1.00 0.00 H new ATOM 145 N ASP A 11 -2.896 7.471 -1.229 1.00 0.00 N ATOM 146 CA ASP A 11 -1.776 8.372 -1.437 1.00 0.00 C ATOM 147 C ASP A 11 -0.756 8.345 -0.272 1.00 0.00 C ATOM 148 O ASP A 11 -0.565 9.353 0.408 1.00 0.00 O ATOM 149 CB ASP A 11 -2.360 9.773 -1.601 1.00 0.00 C ATOM 150 CG ASP A 11 -1.311 10.871 -1.620 1.00 0.00 C ATOM 151 OD1 ASP A 11 -0.162 10.586 -2.019 1.00 0.00 O ATOM 152 OD2 ASP A 11 -1.639 12.013 -1.236 1.00 0.00 O ATOM 0 H ASP A 11 -3.464 7.671 -0.406 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.221 8.058 -2.321 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.932 9.813 -2.528 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.059 9.964 -0.787 1.00 0.00 H new ATOM 156 N ALA A 12 -0.125 7.175 -0.053 1.00 0.00 N ATOM 157 CA ALA A 12 0.922 6.960 0.978 1.00 0.00 C ATOM 158 C ALA A 12 1.063 8.104 1.996 1.00 0.00 C ATOM 159 O ALA A 12 1.744 9.096 1.737 1.00 0.00 O ATOM 160 CB ALA A 12 2.251 6.733 0.280 1.00 0.00 C ATOM 0 H ALA A 12 -0.329 6.335 -0.595 1.00 0.00 H new ATOM 0 HA ALA A 12 0.613 6.090 1.557 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.031 6.573 1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.179 5.856 -0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.499 7.606 -0.323 1.00 0.00 H new ATOM 166 N ALA A 13 0.418 7.952 3.141 1.00 0.00 N ATOM 167 CA ALA A 13 0.454 8.937 4.227 1.00 0.00 C ATOM 168 C ALA A 13 1.823 9.084 4.956 1.00 0.00 C ATOM 169 O ALA A 13 2.088 10.151 5.512 1.00 0.00 O ATOM 170 CB ALA A 13 -0.584 8.543 5.247 1.00 0.00 C ATOM 0 H ALA A 13 -0.154 7.134 3.352 1.00 0.00 H new ATOM 0 HA ALA A 13 0.263 9.904 3.761 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.578 9.260 6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.569 8.534 4.779 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.356 7.549 5.633 1.00 0.00 H new ATOM 176 N GLU A 14 2.687 8.065 4.972 1.00 0.00 N ATOM 177 CA GLU A 14 3.955 8.163 5.751 1.00 0.00 C ATOM 178 C GLU A 14 5.293 8.229 4.986 1.00 0.00 C ATOM 179 O GLU A 14 6.336 8.343 5.629 1.00 0.00 O ATOM 180 CB GLU A 14 4.092 6.951 6.671 1.00 0.00 C ATOM 181 CG GLU A 14 3.152 6.988 7.865 1.00 0.00 C ATOM 182 CD GLU A 14 3.205 8.310 8.606 1.00 0.00 C ATOM 183 OE1 GLU A 14 4.133 8.496 9.419 1.00 0.00 O ATOM 184 OE2 GLU A 14 2.318 9.156 8.372 1.00 0.00 O ATOM 0 H GLU A 14 2.552 7.184 4.476 1.00 0.00 H new ATOM 0 HA GLU A 14 3.829 9.128 6.243 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.901 6.045 6.096 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.120 6.891 7.029 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.132 6.806 7.526 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.409 6.180 8.551 1.00 0.00 H new ATOM 189 N ASP A 15 5.277 8.138 3.667 1.00 0.00 N ATOM 190 CA ASP A 15 6.500 8.206 2.829 1.00 0.00 C ATOM 191 C ASP A 15 6.854 6.793 2.415 1.00 0.00 C ATOM 192 O ASP A 15 6.783 6.481 1.223 1.00 0.00 O ATOM 193 CB ASP A 15 7.676 8.933 3.492 1.00 0.00 C ATOM 194 CG ASP A 15 8.752 9.318 2.495 1.00 0.00 C ATOM 195 OD1 ASP A 15 9.168 8.446 1.704 1.00 0.00 O ATOM 196 OD2 ASP A 15 9.177 10.493 2.505 1.00 0.00 O ATOM 0 H ASP A 15 4.420 8.014 3.128 1.00 0.00 H new ATOM 0 HA ASP A 15 6.286 8.817 1.952 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.310 9.830 3.992 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.109 8.293 4.261 1.00 0.00 H new ATOM 200 N ASN A 16 7.239 5.911 3.359 1.00 0.00 N ATOM 201 CA ASN A 16 7.525 4.568 2.878 1.00 0.00 C ATOM 202 C ASN A 16 6.268 3.732 3.012 1.00 0.00 C ATOM 203 O ASN A 16 6.238 2.701 3.689 1.00 0.00 O ATOM 204 CB ASN A 16 8.514 4.023 3.922 1.00 0.00 C ATOM 205 CG ASN A 16 9.600 3.167 3.308 1.00 0.00 C ATOM 206 OD1 ASN A 16 9.525 2.788 2.139 1.00 0.00 O ATOM 207 ND2 ASN A 16 10.618 2.861 4.099 1.00 0.00 N ATOM 0 H ASN A 16 7.348 6.085 4.358 1.00 0.00 H new ATOM 0 HA ASN A 16 7.884 4.552 1.849 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.972 4.858 4.453 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.969 3.436 4.661 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.384 2.288 3.746 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.636 3.199 5.061 1.00 0.00 H new ATOM 213 N GLU A 17 5.235 4.169 2.346 1.00 0.00 N ATOM 214 CA GLU A 17 4.054 3.418 2.114 1.00 0.00 C ATOM 215 C GLU A 17 3.997 3.209 0.612 1.00 0.00 C ATOM 216 O GLU A 17 4.775 3.830 -0.111 1.00 0.00 O ATOM 217 CB GLU A 17 2.844 4.153 2.668 1.00 0.00 C ATOM 218 CG GLU A 17 2.726 3.959 4.174 1.00 0.00 C ATOM 219 CD GLU A 17 1.768 4.925 4.833 1.00 0.00 C ATOM 220 OE1 GLU A 17 1.454 5.958 4.217 1.00 0.00 O ATOM 221 OE2 GLU A 17 1.338 4.651 5.974 1.00 0.00 O ATOM 0 H GLU A 17 5.202 5.102 1.936 1.00 0.00 H new ATOM 0 HA GLU A 17 4.055 2.454 2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.925 5.216 2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.939 3.790 2.180 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.398 2.939 4.376 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.712 4.072 4.625 1.00 0.00 H new ATOM 226 N LEU A 18 3.125 2.375 0.111 1.00 0.00 N ATOM 227 CA LEU A 18 2.990 2.255 -1.327 1.00 0.00 C ATOM 228 C LEU A 18 1.902 3.242 -1.678 1.00 0.00 C ATOM 229 O LEU A 18 1.304 3.859 -0.800 1.00 0.00 O ATOM 230 CB LEU A 18 2.616 0.836 -1.762 1.00 0.00 C ATOM 231 CG LEU A 18 3.553 0.238 -2.817 1.00 0.00 C ATOM 232 CD1 LEU A 18 3.447 -1.273 -2.840 1.00 0.00 C ATOM 233 CD2 LEU A 18 3.248 0.811 -4.193 1.00 0.00 C ATOM 0 H LEU A 18 2.506 1.777 0.659 1.00 0.00 H new ATOM 0 HA LEU A 18 3.930 2.461 -1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.612 0.188 -0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.600 0.844 -2.157 1.00 0.00 H new ATOM 0 HG LEU A 18 4.575 0.505 -2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.121 -1.674 -3.597 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.720 -1.672 -1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.423 -1.562 -3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.924 0.373 -4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.218 0.578 -4.464 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.383 1.892 -4.175 1.00 0.00 H new ATOM 244 N THR A 19 1.651 3.409 -2.957 1.00 0.00 N ATOM 245 CA THR A 19 0.695 4.403 -3.376 1.00 0.00 C ATOM 246 C THR A 19 0.036 3.974 -4.656 1.00 0.00 C ATOM 247 O THR A 19 0.712 3.620 -5.622 1.00 0.00 O ATOM 248 CB THR A 19 1.379 5.761 -3.586 1.00 0.00 C ATOM 249 OG1 THR A 19 2.754 5.688 -3.190 1.00 0.00 O ATOM 250 CG2 THR A 19 0.668 6.819 -2.778 1.00 0.00 C ATOM 0 H THR A 19 2.088 2.879 -3.711 1.00 0.00 H new ATOM 0 HA THR A 19 -0.057 4.504 -2.593 1.00 0.00 H new ATOM 0 HB THR A 19 1.331 6.022 -4.643 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.181 6.559 -3.329 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.156 7.782 -2.929 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.372 6.885 -3.099 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.705 6.556 -1.721 1.00 0.00 H new ATOM 258 N PHE A 20 -1.274 4.000 -4.678 1.00 0.00 N ATOM 259 CA PHE A 20 -1.988 3.557 -5.851 1.00 0.00 C ATOM 260 C PHE A 20 -3.323 4.262 -5.994 1.00 0.00 C ATOM 261 O PHE A 20 -3.763 5.004 -5.115 1.00 0.00 O ATOM 262 CB PHE A 20 -2.175 2.034 -5.808 1.00 0.00 C ATOM 263 CG PHE A 20 -2.234 1.502 -4.405 1.00 0.00 C ATOM 264 CD1 PHE A 20 -3.355 1.716 -3.628 1.00 0.00 C ATOM 265 CD2 PHE A 20 -1.154 0.833 -3.855 1.00 0.00 C ATOM 266 CE1 PHE A 20 -3.406 1.264 -2.324 1.00 0.00 C ATOM 267 CE2 PHE A 20 -1.192 0.386 -2.548 1.00 0.00 C ATOM 268 CZ PHE A 20 -2.321 0.599 -1.782 1.00 0.00 C ATOM 0 H PHE A 20 -1.862 4.319 -3.908 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.393 3.815 -6.727 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.093 1.769 -6.333 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.353 1.555 -6.341 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.201 2.242 -4.044 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.272 0.659 -4.454 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.292 1.429 -1.728 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.341 -0.129 -2.127 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.357 0.247 -0.762 1.00 0.00 H new ATOM 277 N VAL A 21 -3.946 4.009 -7.119 1.00 0.00 N ATOM 278 CA VAL A 21 -5.246 4.565 -7.422 1.00 0.00 C ATOM 279 C VAL A 21 -6.212 3.437 -7.632 1.00 0.00 C ATOM 280 O VAL A 21 -5.859 2.460 -8.287 1.00 0.00 O ATOM 281 CB VAL A 21 -5.222 5.451 -8.664 1.00 0.00 C ATOM 282 CG1 VAL A 21 -4.700 6.829 -8.305 1.00 0.00 C ATOM 283 CG2 VAL A 21 -4.382 4.801 -9.741 1.00 0.00 C ATOM 0 H VAL A 21 -3.567 3.411 -7.853 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.551 5.191 -6.583 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.234 5.568 -9.052 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.686 7.456 -9.196 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.349 7.280 -7.555 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.689 6.743 -7.906 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.368 5.438 -10.626 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.364 4.665 -9.376 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.808 3.831 -9.999 1.00 0.00 H new ATOM 293 N GLU A 22 -7.407 3.532 -7.044 1.00 0.00 N ATOM 294 CA GLU A 22 -8.434 2.501 -7.138 1.00 0.00 C ATOM 295 C GLU A 22 -8.319 1.635 -8.394 1.00 0.00 C ATOM 296 O GLU A 22 -7.886 2.083 -9.456 1.00 0.00 O ATOM 297 CB GLU A 22 -9.827 3.142 -7.078 1.00 0.00 C ATOM 298 CG GLU A 22 -10.281 3.799 -8.378 1.00 0.00 C ATOM 299 CD GLU A 22 -9.851 5.249 -8.477 1.00 0.00 C ATOM 300 OE1 GLU A 22 -10.361 6.075 -7.691 1.00 0.00 O ATOM 301 OE2 GLU A 22 -9.003 5.559 -9.340 1.00 0.00 O ATOM 0 H GLU A 22 -7.688 4.337 -6.484 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.282 1.838 -6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.553 2.377 -6.800 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.834 3.891 -6.286 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.874 3.244 -9.223 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.367 3.740 -8.451 1.00 0.00 H new ATOM 306 N ASN A 23 -8.770 0.400 -8.252 1.00 0.00 N ATOM 307 CA ASN A 23 -8.702 -0.554 -9.363 1.00 0.00 C ATOM 308 C ASN A 23 -7.242 -0.847 -9.761 1.00 0.00 C ATOM 309 O ASN A 23 -7.000 -1.535 -10.752 1.00 0.00 O ATOM 310 CB ASN A 23 -9.495 -0.090 -10.605 1.00 0.00 C ATOM 311 CG ASN A 23 -10.276 1.191 -10.413 1.00 0.00 C ATOM 312 OD1 ASN A 23 -11.149 1.183 -9.434 1.00 0.00 O flip ATOM 313 ND2 ASN A 23 -10.089 2.169 -11.137 1.00 0.00 N flip ATOM 0 H ASN A 23 -9.182 0.032 -7.395 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.168 -1.469 -8.997 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.800 0.045 -11.434 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.186 -0.881 -10.894 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.398 2.125 -11.886 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.625 3.024 -10.988 1.00 0.00 H new ATOM 319 N ASP A 24 -6.269 -0.326 -8.993 1.00 0.00 N ATOM 320 CA ASP A 24 -4.858 -0.571 -9.283 1.00 0.00 C ATOM 321 C ASP A 24 -4.490 -1.931 -8.734 1.00 0.00 C ATOM 322 O ASP A 24 -4.877 -2.303 -7.627 1.00 0.00 O ATOM 323 CB ASP A 24 -3.960 0.511 -8.677 1.00 0.00 C ATOM 324 CG ASP A 24 -3.708 1.658 -9.637 1.00 0.00 C ATOM 325 OD1 ASP A 24 -4.451 1.773 -10.633 1.00 0.00 O ATOM 326 OD2 ASP A 24 -2.768 2.443 -9.390 1.00 0.00 O ATOM 0 H ASP A 24 -6.438 0.261 -8.176 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.705 -0.543 -10.362 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.423 0.896 -7.768 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.007 0.068 -8.387 1.00 0.00 H new ATOM 330 N LYS A 25 -3.730 -2.666 -9.530 1.00 0.00 N ATOM 331 CA LYS A 25 -3.334 -3.996 -9.165 1.00 0.00 C ATOM 332 C LYS A 25 -2.069 -3.985 -8.303 1.00 0.00 C ATOM 333 O LYS A 25 -1.154 -3.191 -8.524 1.00 0.00 O ATOM 334 CB LYS A 25 -3.113 -4.795 -10.443 1.00 0.00 C ATOM 335 CG LYS A 25 -2.576 -6.171 -10.197 1.00 0.00 C ATOM 336 CD LYS A 25 -3.684 -7.193 -10.054 1.00 0.00 C ATOM 337 CE LYS A 25 -3.157 -8.448 -9.415 1.00 0.00 C ATOM 338 NZ LYS A 25 -2.102 -9.096 -10.242 1.00 0.00 N ATOM 0 H LYS A 25 -3.379 -2.353 -10.435 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.119 -4.458 -8.567 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.057 -4.872 -10.983 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.421 -4.252 -11.087 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.922 -6.458 -11.020 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.967 -6.167 -9.293 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.492 -6.781 -9.450 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.104 -7.424 -11.033 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.752 -8.211 -8.431 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.978 -9.148 -9.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.815 -9.992 -9.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.475 -9.285 -11.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.279 -8.465 -10.311 1.00 0.00 H new ATOM 348 N ILE A 26 -2.036 -4.881 -7.317 1.00 0.00 N ATOM 349 CA ILE A 26 -0.892 -5.027 -6.422 1.00 0.00 C ATOM 350 C ILE A 26 -0.495 -6.504 -6.376 1.00 0.00 C ATOM 351 O ILE A 26 -1.355 -7.377 -6.328 1.00 0.00 O ATOM 352 CB ILE A 26 -1.248 -4.551 -4.996 1.00 0.00 C ATOM 353 CG1 ILE A 26 -1.752 -3.108 -5.023 1.00 0.00 C ATOM 354 CG2 ILE A 26 -0.043 -4.676 -4.076 1.00 0.00 C ATOM 355 CD1 ILE A 26 -2.804 -2.815 -3.975 1.00 0.00 C ATOM 0 H ILE A 26 -2.802 -5.525 -7.118 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.068 -4.418 -6.793 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.044 -5.187 -4.610 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.908 -2.434 -4.877 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.164 -2.894 -6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.312 -4.336 -3.076 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.275 -5.718 -4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.773 -4.064 -4.460 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.115 -1.773 -4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.666 -3.464 -4.133 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.390 -2.997 -2.983 1.00 0.00 H new ATOM 366 N ILE A 27 0.802 -6.771 -6.376 1.00 0.00 N ATOM 367 CA ILE A 27 1.290 -8.147 -6.388 1.00 0.00 C ATOM 368 C ILE A 27 2.542 -8.307 -5.543 1.00 0.00 C ATOM 369 O ILE A 27 3.119 -7.337 -5.055 1.00 0.00 O ATOM 370 CB ILE A 27 1.525 -8.624 -7.837 1.00 0.00 C ATOM 371 CG1 ILE A 27 2.441 -7.665 -8.595 1.00 0.00 C ATOM 372 CG2 ILE A 27 0.198 -8.771 -8.563 1.00 0.00 C ATOM 373 CD1 ILE A 27 3.259 -8.346 -9.668 1.00 0.00 C ATOM 0 H ILE A 27 1.534 -6.060 -6.368 1.00 0.00 H new ATOM 0 HA ILE A 27 0.522 -8.778 -5.941 1.00 0.00 H new ATOM 0 HB ILE A 27 2.017 -9.596 -7.796 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.837 -6.880 -9.051 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.113 -7.180 -7.888 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.377 -9.108 -9.584 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.422 -9.501 -8.043 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.314 -7.809 -8.583 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.888 -7.610 -10.168 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.888 -9.112 -9.215 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.592 -8.808 -10.396 1.00 0.00 H new ATOM 384 N ASN A 28 2.944 -9.564 -5.381 1.00 0.00 N ATOM 385 CA ASN A 28 4.087 -9.914 -4.573 1.00 0.00 C ATOM 386 C ASN A 28 3.859 -9.408 -3.175 1.00 0.00 C ATOM 387 O ASN A 28 4.740 -8.824 -2.542 1.00 0.00 O ATOM 388 CB ASN A 28 5.404 -9.382 -5.132 1.00 0.00 C ATOM 389 CG ASN A 28 5.644 -9.797 -6.567 1.00 0.00 C ATOM 390 OD1 ASN A 28 4.923 -9.172 -7.484 1.00 0.00 O flip ATOM 391 ND2 ASN A 28 6.466 -10.669 -6.847 1.00 0.00 N flip ATOM 0 H ASN A 28 2.479 -10.364 -5.811 1.00 0.00 H new ATOM 0 HA ASN A 28 4.182 -11.000 -4.577 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.407 -8.294 -5.068 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.227 -9.740 -4.513 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.999 -11.124 -6.106 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.614 -10.937 -7.820 1.00 0.00 H new ATOM 397 N ILE A 29 2.644 -9.647 -2.708 1.00 0.00 N ATOM 398 CA ILE A 29 2.239 -9.214 -1.400 1.00 0.00 C ATOM 399 C ILE A 29 2.899 -10.082 -0.346 1.00 0.00 C ATOM 400 O ILE A 29 3.000 -11.297 -0.477 1.00 0.00 O ATOM 401 CB ILE A 29 0.694 -9.244 -1.230 1.00 0.00 C ATOM 402 CG1 ILE A 29 0.050 -8.156 -2.107 1.00 0.00 C ATOM 403 CG2 ILE A 29 0.299 -9.056 0.239 1.00 0.00 C ATOM 404 CD1 ILE A 29 -1.413 -7.880 -1.796 1.00 0.00 C ATOM 0 H ILE A 29 1.922 -10.144 -3.229 1.00 0.00 H new ATOM 0 HA ILE A 29 2.559 -8.179 -1.277 1.00 0.00 H new ATOM 0 HB ILE A 29 0.329 -10.220 -1.551 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.614 -7.231 -1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.137 -8.451 -3.153 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.787 -9.081 0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.732 -9.858 0.838 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.671 -8.096 0.596 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.786 -7.101 -2.461 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.994 -8.790 -1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.509 -7.551 -0.761 1.00 0.00 H new ATOM 415 N GLU A 30 3.302 -9.441 0.713 1.00 0.00 N ATOM 416 CA GLU A 30 3.898 -10.157 1.815 1.00 0.00 C ATOM 417 C GLU A 30 3.337 -9.619 3.100 1.00 0.00 C ATOM 418 O GLU A 30 2.759 -8.548 3.103 1.00 0.00 O ATOM 419 CB GLU A 30 5.427 -10.098 1.768 1.00 0.00 C ATOM 420 CG GLU A 30 5.998 -10.315 0.373 1.00 0.00 C ATOM 421 CD GLU A 30 7.176 -11.271 0.367 1.00 0.00 C ATOM 422 OE1 GLU A 30 8.239 -10.906 0.912 1.00 0.00 O ATOM 423 OE2 GLU A 30 7.032 -12.384 -0.180 1.00 0.00 O ATOM 0 H GLU A 30 3.232 -8.432 0.841 1.00 0.00 H new ATOM 0 HA GLU A 30 3.647 -11.215 1.742 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.757 -9.129 2.141 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.833 -10.854 2.440 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.216 -10.704 -0.279 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.311 -9.356 -0.041 1.00 0.00 H new ATOM 428 N PHE A 31 3.562 -10.320 4.197 1.00 0.00 N ATOM 429 CA PHE A 31 3.001 -9.851 5.455 1.00 0.00 C ATOM 430 C PHE A 31 4.068 -9.407 6.433 1.00 0.00 C ATOM 431 O PHE A 31 4.197 -9.938 7.536 1.00 0.00 O ATOM 432 CB PHE A 31 2.083 -10.918 6.049 1.00 0.00 C ATOM 433 CG PHE A 31 0.960 -11.295 5.112 1.00 0.00 C ATOM 434 CD1 PHE A 31 -0.114 -10.434 4.894 1.00 0.00 C ATOM 435 CD2 PHE A 31 0.989 -12.502 4.431 1.00 0.00 C ATOM 436 CE1 PHE A 31 -1.129 -10.777 4.019 1.00 0.00 C ATOM 437 CE2 PHE A 31 -0.027 -12.849 3.558 1.00 0.00 C ATOM 438 CZ PHE A 31 -1.085 -11.986 3.350 1.00 0.00 C ATOM 0 H PHE A 31 4.106 -11.181 4.247 1.00 0.00 H new ATOM 0 HA PHE A 31 2.404 -8.963 5.247 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.668 -11.806 6.287 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.664 -10.552 6.986 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.154 -9.488 5.414 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.815 -13.180 4.584 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.955 -10.101 3.859 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.007 -13.795 3.039 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.876 -12.255 2.666 1.00 0.00 H new ATOM 447 N VAL A 32 4.830 -8.417 5.998 1.00 0.00 N ATOM 448 CA VAL A 32 5.871 -7.815 6.808 1.00 0.00 C ATOM 449 C VAL A 32 5.266 -7.374 8.141 1.00 0.00 C ATOM 450 O VAL A 32 5.925 -7.435 9.179 1.00 0.00 O ATOM 451 CB VAL A 32 6.447 -6.594 6.057 1.00 0.00 C ATOM 452 CG1 VAL A 32 7.203 -7.040 4.819 1.00 0.00 C ATOM 453 CG2 VAL A 32 5.323 -5.639 5.684 1.00 0.00 C ATOM 0 H VAL A 32 4.742 -8.008 5.068 1.00 0.00 H new ATOM 0 HA VAL A 32 6.671 -8.532 6.995 1.00 0.00 H new ATOM 0 HB VAL A 32 7.146 -6.074 6.712 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.602 -6.167 4.302 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.024 -7.696 5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.527 -7.578 4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.736 -4.780 5.155 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.608 -6.152 5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.819 -5.299 6.589 1.00 0.00 H new ATOM 463 N ASP A 33 4.015 -6.930 8.107 1.00 0.00 N ATOM 464 CA ASP A 33 3.291 -6.539 9.315 1.00 0.00 C ATOM 465 C ASP A 33 1.880 -7.127 9.259 1.00 0.00 C ATOM 466 O ASP A 33 1.461 -7.633 8.222 1.00 0.00 O ATOM 467 CB ASP A 33 3.242 -5.014 9.448 1.00 0.00 C ATOM 468 CG ASP A 33 2.278 -4.550 10.522 1.00 0.00 C ATOM 469 OD1 ASP A 33 2.372 -5.054 11.662 1.00 0.00 O ATOM 470 OD2 ASP A 33 1.429 -3.684 10.226 1.00 0.00 O ATOM 0 H ASP A 33 3.475 -6.830 7.248 1.00 0.00 H new ATOM 0 HA ASP A 33 3.809 -6.927 10.192 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.240 -4.641 9.676 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.951 -4.579 8.492 1.00 0.00 H new ATOM 474 N ASP A 34 1.161 -7.085 10.376 1.00 0.00 N ATOM 475 CA ASP A 34 -0.216 -7.571 10.407 1.00 0.00 C ATOM 476 C ASP A 34 -1.115 -6.587 9.665 1.00 0.00 C ATOM 477 O ASP A 34 -1.919 -6.965 8.814 1.00 0.00 O ATOM 478 CB ASP A 34 -0.697 -7.727 11.851 1.00 0.00 C ATOM 479 CG ASP A 34 -2.038 -8.432 11.940 1.00 0.00 C ATOM 480 OD1 ASP A 34 -2.122 -9.601 11.508 1.00 0.00 O ATOM 481 OD2 ASP A 34 -3.000 -7.816 12.443 1.00 0.00 O ATOM 0 H ASP A 34 1.504 -6.723 11.266 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.259 -8.546 9.921 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.044 -8.289 12.420 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.775 -6.743 12.314 1.00 0.00 H new ATOM 485 N ASP A 35 -0.955 -5.314 10.014 1.00 0.00 N ATOM 486 CA ASP A 35 -1.797 -4.247 9.484 1.00 0.00 C ATOM 487 C ASP A 35 -1.302 -3.617 8.185 1.00 0.00 C ATOM 488 O ASP A 35 -2.108 -3.289 7.315 1.00 0.00 O ATOM 489 CB ASP A 35 -1.944 -3.148 10.537 1.00 0.00 C ATOM 490 CG ASP A 35 -2.862 -3.556 11.673 1.00 0.00 C ATOM 491 OD1 ASP A 35 -3.354 -4.702 11.656 1.00 0.00 O ATOM 492 OD2 ASP A 35 -3.088 -2.726 12.581 1.00 0.00 O ATOM 0 H ASP A 35 -0.242 -4.994 10.669 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.750 -4.720 9.246 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.962 -2.899 10.939 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.333 -2.246 10.065 1.00 0.00 H new ATOM 496 N TRP A 36 0.006 -3.443 8.036 1.00 0.00 N ATOM 497 CA TRP A 36 0.530 -2.929 6.772 1.00 0.00 C ATOM 498 C TRP A 36 1.377 -3.998 6.111 1.00 0.00 C ATOM 499 O TRP A 36 2.507 -4.221 6.528 1.00 0.00 O ATOM 500 CB TRP A 36 1.369 -1.668 6.984 1.00 0.00 C ATOM 501 CG TRP A 36 0.557 -0.456 7.306 1.00 0.00 C ATOM 502 CD1 TRP A 36 -0.040 -0.188 8.496 1.00 0.00 C ATOM 503 CD2 TRP A 36 0.247 0.654 6.441 1.00 0.00 C ATOM 504 NE1 TRP A 36 -0.693 1.014 8.440 1.00 0.00 N ATOM 505 CE2 TRP A 36 -0.535 1.549 7.194 1.00 0.00 C ATOM 506 CE3 TRP A 36 0.552 0.983 5.108 1.00 0.00 C ATOM 507 CZ2 TRP A 36 -1.014 2.744 6.676 1.00 0.00 C ATOM 508 CZ3 TRP A 36 0.067 2.180 4.592 1.00 0.00 C ATOM 509 CH2 TRP A 36 -0.706 3.042 5.381 1.00 0.00 C ATOM 0 H TRP A 36 0.707 -3.643 8.750 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.313 -2.667 6.133 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.078 -1.845 7.793 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.953 -1.475 6.084 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.005 -0.831 9.363 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.214 1.441 9.206 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.149 0.321 4.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.610 3.415 7.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.289 2.449 3.570 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.067 3.966 4.953 1.00 0.00 H new ATOM 519 N TRP A 37 0.899 -4.646 5.052 1.00 0.00 N ATOM 520 CA TRP A 37 1.648 -5.689 4.378 1.00 0.00 C ATOM 521 C TRP A 37 2.432 -5.043 3.264 1.00 0.00 C ATOM 522 O TRP A 37 2.228 -3.865 2.971 1.00 0.00 O ATOM 523 CB TRP A 37 0.694 -6.777 3.864 1.00 0.00 C ATOM 524 CG TRP A 37 -0.585 -6.887 4.617 1.00 0.00 C ATOM 525 CD1 TRP A 37 -0.715 -7.069 5.955 1.00 0.00 C ATOM 526 CD2 TRP A 37 -1.907 -6.847 4.079 1.00 0.00 C ATOM 527 NE1 TRP A 37 -2.035 -7.150 6.292 1.00 0.00 N ATOM 528 CE2 TRP A 37 -2.791 -7.016 5.156 1.00 0.00 C ATOM 529 CE3 TRP A 37 -2.428 -6.684 2.791 1.00 0.00 C ATOM 530 CZ2 TRP A 37 -4.169 -7.031 4.988 1.00 0.00 C ATOM 531 CZ3 TRP A 37 -3.800 -6.696 2.625 1.00 0.00 C ATOM 532 CH2 TRP A 37 -4.657 -6.869 3.719 1.00 0.00 C ATOM 0 H TRP A 37 -0.016 -4.460 4.642 1.00 0.00 H new ATOM 0 HA TRP A 37 2.341 -6.181 5.061 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.468 -6.578 2.817 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.206 -7.738 3.902 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.107 -7.140 6.652 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.399 -7.288 7.235 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.772 -6.551 1.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.833 -7.166 5.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.217 -6.570 1.637 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.725 -6.875 3.558 1.00 0.00 H new ATOM 542 N LEU A 38 3.331 -5.782 2.627 1.00 0.00 N ATOM 543 CA LEU A 38 4.142 -5.204 1.588 1.00 0.00 C ATOM 544 C LEU A 38 3.710 -5.679 0.221 1.00 0.00 C ATOM 545 O LEU A 38 3.140 -6.750 0.071 1.00 0.00 O ATOM 546 CB LEU A 38 5.623 -5.520 1.873 1.00 0.00 C ATOM 547 CG LEU A 38 6.296 -6.516 0.913 1.00 0.00 C ATOM 548 CD1 LEU A 38 6.551 -5.850 -0.426 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.593 -7.043 1.508 1.00 0.00 C ATOM 0 H LEU A 38 3.509 -6.769 2.815 1.00 0.00 H new ATOM 0 HA LEU A 38 4.011 -4.122 1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.185 -4.586 1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.702 -5.913 2.887 1.00 0.00 H new ATOM 0 HG LEU A 38 5.628 -7.364 0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.028 -6.561 -1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.604 -5.521 -0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.204 -4.989 -0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.053 -7.746 0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.275 -6.212 1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.382 -7.550 2.450 1.00 0.00 H new ATOM 560 N GLY A 39 3.986 -4.842 -0.758 1.00 0.00 N ATOM 561 CA GLY A 39 3.586 -5.216 -2.091 1.00 0.00 C ATOM 562 C GLY A 39 4.617 -5.048 -3.183 1.00 0.00 C ATOM 563 O GLY A 39 5.820 -4.911 -2.956 1.00 0.00 O ATOM 0 H GLY A 39 4.461 -3.944 -0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.278 -6.261 -2.073 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.708 -4.629 -2.360 1.00 0.00 H new ATOM 567 N GLU A 40 4.062 -5.067 -4.383 1.00 0.00 N ATOM 568 CA GLU A 40 4.756 -4.873 -5.638 1.00 0.00 C ATOM 569 C GLU A 40 3.649 -4.579 -6.641 1.00 0.00 C ATOM 570 O GLU A 40 2.803 -5.429 -6.841 1.00 0.00 O ATOM 571 CB GLU A 40 5.556 -6.105 -6.037 1.00 0.00 C ATOM 572 CG GLU A 40 6.631 -5.800 -7.057 1.00 0.00 C ATOM 573 CD GLU A 40 7.902 -6.594 -6.828 1.00 0.00 C ATOM 574 OE1 GLU A 40 7.906 -7.463 -5.930 1.00 0.00 O ATOM 575 OE2 GLU A 40 8.893 -6.348 -7.546 1.00 0.00 O ATOM 0 H GLU A 40 3.063 -5.227 -4.511 1.00 0.00 H new ATOM 0 HA GLU A 40 5.488 -4.067 -5.580 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.016 -6.537 -5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.879 -6.857 -6.443 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.249 -6.014 -8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.863 -4.735 -7.026 1.00 0.00 H new ATOM 580 N LEU A 41 3.616 -3.423 -7.272 1.00 0.00 N ATOM 581 CA LEU A 41 2.503 -3.172 -8.181 1.00 0.00 C ATOM 582 C LEU A 41 2.684 -3.879 -9.506 1.00 0.00 C ATOM 583 O LEU A 41 3.666 -3.696 -10.193 1.00 0.00 O ATOM 584 CB LEU A 41 2.222 -1.680 -8.369 1.00 0.00 C ATOM 585 CG LEU A 41 1.968 -0.901 -7.078 1.00 0.00 C ATOM 586 CD1 LEU A 41 1.899 0.591 -7.364 1.00 0.00 C ATOM 587 CD2 LEU A 41 0.686 -1.379 -6.413 1.00 0.00 C ATOM 0 H LEU A 41 4.304 -2.675 -7.185 1.00 0.00 H new ATOM 0 HA LEU A 41 1.619 -3.597 -7.706 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.068 -1.229 -8.887 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.354 -1.568 -9.019 1.00 0.00 H new ATOM 0 HG LEU A 41 2.797 -1.082 -6.394 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.718 1.132 -6.435 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.842 0.922 -7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.087 0.790 -8.064 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.520 -0.815 -5.495 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.154 -1.226 -7.090 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.773 -2.439 -6.176 1.00 0.00 H new ATOM 598 N GLU A 42 1.747 -4.749 -9.825 1.00 0.00 N ATOM 599 CA GLU A 42 1.798 -5.484 -11.072 1.00 0.00 C ATOM 600 C GLU A 42 1.836 -4.516 -12.254 1.00 0.00 C ATOM 601 O GLU A 42 2.521 -4.759 -13.248 1.00 0.00 O ATOM 602 CB GLU A 42 0.586 -6.432 -11.147 1.00 0.00 C ATOM 603 CG GLU A 42 -0.044 -6.593 -12.528 1.00 0.00 C ATOM 604 CD GLU A 42 -0.675 -7.957 -12.728 1.00 0.00 C ATOM 605 OE1 GLU A 42 0.075 -8.939 -12.911 1.00 0.00 O ATOM 606 OE2 GLU A 42 -1.922 -8.043 -12.703 1.00 0.00 O ATOM 0 H GLU A 42 0.941 -4.964 -9.238 1.00 0.00 H new ATOM 0 HA GLU A 42 2.707 -6.083 -11.116 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.895 -7.415 -10.792 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.178 -6.070 -10.459 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.802 -5.822 -12.669 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.718 -6.434 -13.291 1.00 0.00 H new ATOM 611 N LYS A 43 1.094 -3.417 -12.135 1.00 0.00 N ATOM 612 CA LYS A 43 1.013 -2.456 -13.223 1.00 0.00 C ATOM 613 C LYS A 43 2.342 -1.724 -13.488 1.00 0.00 C ATOM 614 O LYS A 43 2.721 -1.543 -14.644 1.00 0.00 O ATOM 615 CB LYS A 43 -0.155 -1.471 -13.012 1.00 0.00 C ATOM 616 CG LYS A 43 0.216 -0.154 -12.333 1.00 0.00 C ATOM 617 CD LYS A 43 -0.803 0.243 -11.273 1.00 0.00 C ATOM 618 CE LYS A 43 -0.197 0.197 -9.880 1.00 0.00 C ATOM 619 NZ LYS A 43 -0.469 1.445 -9.113 1.00 0.00 N ATOM 0 H LYS A 43 0.549 -3.175 -11.307 1.00 0.00 H new ATOM 0 HA LYS A 43 0.809 -3.030 -14.127 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.600 -1.248 -13.982 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.922 -1.965 -12.415 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.200 -0.246 -11.874 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.286 0.634 -13.083 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.172 1.248 -11.478 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.661 -0.428 -11.321 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.600 -0.658 -9.337 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.880 0.046 -9.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.636 1.209 -8.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.349 2.082 -9.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.310 1.916 -9.503 1.00 0.00 H new ATOM 629 N ASP A 44 3.051 -1.303 -12.440 1.00 0.00 N ATOM 630 CA ASP A 44 4.311 -0.553 -12.635 1.00 0.00 C ATOM 631 C ASP A 44 5.505 -1.152 -11.881 1.00 0.00 C ATOM 632 O ASP A 44 6.630 -0.667 -11.998 1.00 0.00 O ATOM 633 CB ASP A 44 4.112 0.900 -12.200 1.00 0.00 C ATOM 634 CG ASP A 44 5.336 1.755 -12.463 1.00 0.00 C ATOM 635 OD1 ASP A 44 5.471 2.265 -13.596 1.00 0.00 O ATOM 636 OD2 ASP A 44 6.159 1.915 -11.538 1.00 0.00 O ATOM 0 H ASP A 44 2.790 -1.459 -11.466 1.00 0.00 H new ATOM 0 HA ASP A 44 4.549 -0.614 -13.697 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.257 1.321 -12.730 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.874 0.929 -11.137 1.00 0.00 H new ATOM 640 N GLY A 45 5.252 -2.196 -11.119 1.00 0.00 N ATOM 641 CA GLY A 45 6.320 -2.836 -10.362 1.00 0.00 C ATOM 642 C GLY A 45 6.797 -2.028 -9.170 1.00 0.00 C ATOM 643 O GLY A 45 7.980 -2.062 -8.836 1.00 0.00 O ATOM 0 H GLY A 45 4.331 -2.619 -11.005 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.973 -3.809 -10.014 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.165 -3.018 -11.027 1.00 0.00 H new ATOM 647 N SER A 46 5.897 -1.293 -8.529 1.00 0.00 N ATOM 648 CA SER A 46 6.288 -0.493 -7.373 1.00 0.00 C ATOM 649 C SER A 46 6.151 -1.312 -6.098 1.00 0.00 C ATOM 650 O SER A 46 5.151 -1.990 -5.902 1.00 0.00 O ATOM 651 CB SER A 46 5.426 0.767 -7.285 1.00 0.00 C ATOM 652 OG SER A 46 5.480 1.508 -8.493 1.00 0.00 O ATOM 0 H SER A 46 4.911 -1.233 -8.782 1.00 0.00 H new ATOM 0 HA SER A 46 7.330 -0.196 -7.490 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.394 0.491 -7.070 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.769 1.389 -6.458 1.00 0.00 H new ATOM 0 HG SER A 46 4.919 2.308 -8.412 1.00 0.00 H new ATOM 657 N LYS A 47 7.133 -1.191 -5.201 1.00 0.00 N ATOM 658 CA LYS A 47 7.110 -1.937 -3.946 1.00 0.00 C ATOM 659 C LYS A 47 7.057 -0.999 -2.758 1.00 0.00 C ATOM 660 O LYS A 47 7.623 0.093 -2.789 1.00 0.00 O ATOM 661 CB LYS A 47 8.330 -2.845 -3.781 1.00 0.00 C ATOM 662 CG LYS A 47 8.595 -3.740 -4.980 1.00 0.00 C ATOM 663 CD LYS A 47 9.252 -2.971 -6.112 1.00 0.00 C ATOM 664 CE LYS A 47 10.584 -3.587 -6.508 1.00 0.00 C ATOM 665 NZ LYS A 47 11.499 -3.730 -5.341 1.00 0.00 N ATOM 0 H LYS A 47 7.947 -0.588 -5.321 1.00 0.00 H new ATOM 0 HA LYS A 47 6.213 -2.555 -3.984 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.209 -2.227 -3.599 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.191 -3.468 -2.898 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.236 -4.570 -4.682 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.657 -4.172 -5.328 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.587 -2.955 -6.976 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.405 -1.935 -5.808 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.412 -4.565 -6.957 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.059 -2.967 -7.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.484 -3.620 -5.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.278 -2.999 -4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.375 -4.671 -4.916 1.00 0.00 H new ATOM 675 N GLY A 48 6.374 -1.428 -1.708 1.00 0.00 N ATOM 676 CA GLY A 48 6.277 -0.635 -0.506 1.00 0.00 C ATOM 677 C GLY A 48 5.229 -1.162 0.445 1.00 0.00 C ATOM 678 O GLY A 48 4.338 -1.909 0.044 1.00 0.00 O ATOM 0 H GLY A 48 5.882 -2.320 -1.670 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.245 -0.619 -0.005 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.039 0.395 -0.771 1.00 0.00 H new ATOM 682 N LEU A 49 5.330 -0.785 1.710 1.00 0.00 N ATOM 683 CA LEU A 49 4.361 -1.238 2.683 1.00 0.00 C ATOM 684 C LEU A 49 3.072 -0.514 2.406 1.00 0.00 C ATOM 685 O LEU A 49 3.045 0.710 2.360 1.00 0.00 O ATOM 686 CB LEU A 49 4.843 -0.948 4.098 1.00 0.00 C ATOM 687 CG LEU A 49 6.022 -1.790 4.560 1.00 0.00 C ATOM 688 CD1 LEU A 49 7.163 -0.899 5.030 1.00 0.00 C ATOM 689 CD2 LEU A 49 5.576 -2.735 5.658 1.00 0.00 C ATOM 0 H LEU A 49 6.061 -0.177 2.078 1.00 0.00 H new ATOM 0 HA LEU A 49 4.219 -2.316 2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.120 0.104 4.163 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.013 -1.103 4.787 1.00 0.00 H new ATOM 0 HG LEU A 49 6.390 -2.382 3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.998 -1.519 5.357 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.486 -0.258 4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.823 -0.281 5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.423 -3.337 5.987 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.192 -2.159 6.500 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.792 -3.390 5.278 1.00 0.00 H new ATOM 700 N PHE A 50 1.992 -1.239 2.214 1.00 0.00 N ATOM 701 CA PHE A 50 0.738 -0.617 1.872 1.00 0.00 C ATOM 702 C PHE A 50 -0.346 -0.933 2.881 1.00 0.00 C ATOM 703 O PHE A 50 -0.270 -1.917 3.615 1.00 0.00 O ATOM 704 CB PHE A 50 0.292 -1.053 0.475 1.00 0.00 C ATOM 705 CG PHE A 50 -0.078 -2.507 0.381 1.00 0.00 C ATOM 706 CD1 PHE A 50 0.890 -3.471 0.141 1.00 0.00 C ATOM 707 CD2 PHE A 50 -1.395 -2.908 0.529 1.00 0.00 C ATOM 708 CE1 PHE A 50 0.547 -4.809 0.051 1.00 0.00 C ATOM 709 CE2 PHE A 50 -1.742 -4.242 0.441 1.00 0.00 C ATOM 710 CZ PHE A 50 -0.769 -5.192 0.202 1.00 0.00 C ATOM 0 H PHE A 50 1.959 -2.256 2.289 1.00 0.00 H new ATOM 0 HA PHE A 50 0.898 0.461 1.883 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.564 -0.450 0.173 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.094 -0.846 -0.233 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.922 -3.175 0.023 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.160 -2.169 0.715 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.308 -5.551 -0.137 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.773 -4.542 0.559 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.039 -6.236 0.133 1.00 0.00 H new ATOM 719 N PRO A 51 -1.372 -0.080 2.921 1.00 0.00 N ATOM 720 CA PRO A 51 -2.495 -0.234 3.815 1.00 0.00 C ATOM 721 C PRO A 51 -3.271 -1.507 3.590 1.00 0.00 C ATOM 722 O PRO A 51 -2.965 -2.341 2.739 1.00 0.00 O ATOM 723 CB PRO A 51 -3.420 0.944 3.518 1.00 0.00 C ATOM 724 CG PRO A 51 -2.574 1.927 2.794 1.00 0.00 C ATOM 725 CD PRO A 51 -1.520 1.122 2.078 1.00 0.00 C ATOM 0 HA PRO A 51 -2.130 -0.270 4.841 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.271 0.634 2.912 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.822 1.371 4.437 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.168 2.507 2.088 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.120 2.636 3.487 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.830 0.866 1.065 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.583 1.672 1.995 1.00 0.00 H new ATOM 730 N SER A 52 -4.287 -1.598 4.417 1.00 0.00 N ATOM 731 CA SER A 52 -5.144 -2.759 4.241 1.00 0.00 C ATOM 732 C SER A 52 -6.609 -2.432 4.128 1.00 0.00 C ATOM 733 O SER A 52 -7.395 -3.216 3.596 1.00 0.00 O ATOM 734 CB SER A 52 -4.832 -3.811 5.299 1.00 0.00 C ATOM 735 OG SER A 52 -4.385 -3.210 6.501 1.00 0.00 O ATOM 0 H SER A 52 -4.533 -0.945 5.161 1.00 0.00 H new ATOM 0 HA SER A 52 -4.908 -3.188 3.267 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.723 -4.407 5.497 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.069 -4.493 4.924 1.00 0.00 H new ATOM 0 HG SER A 52 -3.408 -3.268 6.552 1.00 0.00 H new ATOM 740 N ASN A 53 -6.980 -1.267 4.632 1.00 0.00 N ATOM 741 CA ASN A 53 -8.332 -0.779 4.543 1.00 0.00 C ATOM 742 C ASN A 53 -8.527 0.000 3.238 1.00 0.00 C ATOM 743 O ASN A 53 -9.647 0.126 2.744 1.00 0.00 O ATOM 744 CB ASN A 53 -8.655 0.093 5.757 1.00 0.00 C ATOM 745 CG ASN A 53 -7.901 1.408 5.741 1.00 0.00 C ATOM 746 OD1 ASN A 53 -6.857 1.530 5.099 1.00 0.00 O ATOM 747 ND2 ASN A 53 -8.425 2.400 6.451 1.00 0.00 N ATOM 0 H ASN A 53 -6.342 -0.635 5.116 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.019 -1.625 4.538 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.726 0.292 5.783 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.410 -0.452 6.668 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.960 3.308 6.479 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.292 2.255 6.968 1.00 0.00 H new ATOM 753 N TYR A 54 -7.414 0.527 2.675 1.00 0.00 N ATOM 754 CA TYR A 54 -7.452 1.275 1.415 1.00 0.00 C ATOM 755 C TYR A 54 -7.457 0.295 0.220 1.00 0.00 C ATOM 756 O TYR A 54 -7.714 0.693 -0.916 1.00 0.00 O ATOM 757 CB TYR A 54 -6.244 2.231 1.268 1.00 0.00 C ATOM 758 CG TYR A 54 -6.478 3.677 1.629 1.00 0.00 C ATOM 759 CD1 TYR A 54 -6.712 4.039 2.941 1.00 0.00 C ATOM 760 CD2 TYR A 54 -6.404 4.688 0.671 1.00 0.00 C ATOM 761 CE1 TYR A 54 -6.869 5.357 3.295 1.00 0.00 C ATOM 762 CE2 TYR A 54 -6.568 6.009 1.018 1.00 0.00 C ATOM 763 CZ TYR A 54 -6.797 6.343 2.328 1.00 0.00 C ATOM 764 OH TYR A 54 -6.950 7.667 2.670 1.00 0.00 O ATOM 0 H TYR A 54 -6.482 0.443 3.081 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.364 1.873 1.425 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.432 1.852 1.889 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -5.901 2.189 0.234 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.773 3.274 3.701 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.215 4.429 -0.360 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.048 5.623 4.326 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.517 6.779 0.263 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.869 8.224 1.867 1.00 0.00 H new ATOM 773 N VAL A 55 -7.165 -0.999 0.495 1.00 0.00 N ATOM 774 CA VAL A 55 -7.083 -2.028 -0.558 1.00 0.00 C ATOM 775 C VAL A 55 -7.646 -3.382 -0.124 1.00 0.00 C ATOM 776 O VAL A 55 -7.737 -3.685 1.066 1.00 0.00 O ATOM 777 CB VAL A 55 -5.629 -2.320 -0.979 1.00 0.00 C ATOM 778 CG1 VAL A 55 -4.957 -1.075 -1.526 1.00 0.00 C ATOM 779 CG2 VAL A 55 -4.840 -2.916 0.176 1.00 0.00 C ATOM 0 H VAL A 55 -6.984 -1.350 1.435 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.668 -1.604 -1.374 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.651 -3.058 -1.781 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.933 -1.311 -1.815 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.506 -0.718 -2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.948 -0.300 -0.760 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.817 -3.113 -0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.829 -2.214 1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.307 -3.849 0.493 1.00 0.00 H new ATOM 789 N SER A 56 -8.018 -4.183 -1.111 1.00 0.00 N ATOM 790 CA SER A 56 -8.545 -5.523 -0.894 1.00 0.00 C ATOM 791 C SER A 56 -7.587 -6.571 -1.474 1.00 0.00 C ATOM 792 O SER A 56 -7.050 -6.385 -2.565 1.00 0.00 O ATOM 793 CB SER A 56 -9.897 -5.643 -1.572 1.00 0.00 C ATOM 794 OG SER A 56 -10.742 -6.551 -0.887 1.00 0.00 O ATOM 0 H SER A 56 -7.962 -3.919 -2.095 1.00 0.00 H new ATOM 0 HA SER A 56 -8.650 -5.697 0.177 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.372 -4.663 -1.614 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.761 -5.976 -2.601 1.00 0.00 H new ATOM 0 HG SER A 56 -11.606 -6.605 -1.347 1.00 0.00 H new ATOM 799 N LEU A 57 -7.404 -7.684 -0.757 1.00 0.00 N ATOM 800 CA LEU A 57 -6.499 -8.739 -1.229 1.00 0.00 C ATOM 801 C LEU A 57 -7.205 -9.675 -2.197 1.00 0.00 C ATOM 802 O LEU A 57 -8.299 -10.168 -1.921 1.00 0.00 O ATOM 803 CB LEU A 57 -5.947 -9.566 -0.067 1.00 0.00 C ATOM 804 CG LEU A 57 -4.998 -8.834 0.879 1.00 0.00 C ATOM 805 CD1 LEU A 57 -4.637 -9.714 2.067 1.00 0.00 C ATOM 806 CD2 LEU A 57 -3.739 -8.415 0.140 1.00 0.00 C ATOM 0 H LEU A 57 -7.860 -7.877 0.135 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.675 -8.238 -1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.787 -9.947 0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.425 -10.431 -0.477 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.505 -7.943 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.960 -9.173 2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.543 -9.978 2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.149 -10.622 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.071 -7.894 0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.237 -9.299 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.004 -7.751 -0.683 1.00 0.00 H new ATOM 817 N GLY A 58 -6.568 -9.911 -3.330 1.00 0.00 N ATOM 818 CA GLY A 58 -7.140 -10.781 -4.338 1.00 0.00 C ATOM 819 C GLY A 58 -6.897 -12.255 -4.049 1.00 0.00 C ATOM 820 O GLY A 58 -7.173 -13.107 -4.893 1.00 0.00 O ATOM 0 H GLY A 58 -5.660 -9.515 -3.573 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.213 -10.600 -4.402 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.716 -10.531 -5.311 1.00 0.00 H new ATOM 824 N ASN A 59 -6.382 -12.562 -2.858 1.00 0.00 N ATOM 825 CA ASN A 59 -6.101 -13.941 -2.478 1.00 0.00 C ATOM 826 C ASN A 59 -6.579 -14.226 -1.059 1.00 0.00 C ATOM 827 O ASN A 59 -7.275 -15.211 -0.823 1.00 0.00 O ATOM 828 CB ASN A 59 -4.603 -14.224 -2.591 1.00 0.00 C ATOM 829 CG ASN A 59 -4.246 -15.633 -2.165 1.00 0.00 C ATOM 830 OD1 ASN A 59 -4.647 -16.092 -1.096 1.00 0.00 O ATOM 831 ND2 ASN A 59 -3.486 -16.327 -3.005 1.00 0.00 N ATOM 0 H ASN A 59 -6.152 -11.873 -2.142 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.642 -14.597 -3.160 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.283 -14.067 -3.621 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.054 -13.511 -1.975 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.212 -17.282 -2.774 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.177 -15.905 -3.881 1.00 0.00 H new