USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 0 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 Set 1.1: A 38 CYS SG : rot 108:sc= -0.35 USER MOD Set 1.2: A 42 CYS SG : rot -47:sc= -0.6 USER MOD Set 1.3: A 69 CYS SG : rot 180:sc= -0.267 USER MOD Set 1.4: A 72 CYS SG : rot -65:sc= -1.95! USER MOD Set 2.1: A 33 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 51 ASN : amide:sc= -10.1! C(o=-10!,f=-14!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc=-0.00629 X(o=-0.0063,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.0773 X(o=-0.077,f=-0.0092) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= -0.0728 USER MOD Single : A 57 ASN : amide:sc= -2.18! C(o=-2.2!,f=-5.5!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N THR A 8 8.323 11.676 -12.926 1.00 0.00 N ATOM 54 CA THR A 8 7.805 12.054 -11.614 1.00 0.00 C ATOM 55 C THR A 8 6.763 11.070 -11.136 1.00 0.00 C ATOM 56 O THR A 8 7.004 10.251 -10.237 1.00 0.00 O ATOM 57 CB THR A 8 7.221 13.506 -11.650 1.00 0.00 C ATOM 58 OG1 THR A 8 8.162 14.436 -11.128 1.00 0.00 O ATOM 59 CG2 THR A 8 5.939 13.751 -10.824 1.00 0.00 C ATOM 0 HA THR A 8 8.634 12.034 -10.906 1.00 0.00 H new ATOM 0 HB THR A 8 6.987 13.637 -12.706 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.782 15.339 -11.159 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.632 14.792 -10.928 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.143 13.100 -11.186 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.136 13.534 -9.774 1.00 0.00 H new ATOM 60 N ASP A 9 5.432 11.152 -11.779 1.00 0.00 N ATOM 61 CA ASP A 9 4.297 10.371 -11.297 1.00 0.00 C ATOM 62 C ASP A 9 4.396 8.936 -11.764 1.00 0.00 C ATOM 63 O ASP A 9 3.867 8.009 -11.136 1.00 0.00 O ATOM 64 CB ASP A 9 2.958 11.026 -11.724 1.00 0.00 C ATOM 65 CG ASP A 9 3.040 12.288 -12.594 1.00 0.00 C ATOM 66 OD1 ASP A 9 3.160 12.252 -13.810 1.00 0.00 O ATOM 67 OD2 ASP A 9 2.967 13.441 -11.864 1.00 0.00 O ATOM 0 H ASP A 9 5.224 11.745 -12.582 1.00 0.00 H new ATOM 0 HA ASP A 9 4.321 10.361 -10.207 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.375 10.281 -12.264 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.400 11.274 -10.821 1.00 0.00 H new ATOM 68 N ASP A 10 5.190 8.701 -12.989 1.00 0.00 N ATOM 69 CA ASP A 10 5.439 7.357 -13.503 1.00 0.00 C ATOM 70 C ASP A 10 6.386 6.601 -12.601 1.00 0.00 C ATOM 71 O ASP A 10 6.039 5.585 -11.980 1.00 0.00 O ATOM 72 CB ASP A 10 5.964 7.430 -14.960 1.00 0.00 C ATOM 73 CG ASP A 10 4.908 7.556 -16.068 1.00 0.00 C ATOM 74 OD1 ASP A 10 3.858 6.696 -15.899 1.00 0.00 O ATOM 75 OD2 ASP A 10 5.006 8.344 -16.997 1.00 0.00 O ATOM 0 H ASP A 10 5.608 9.447 -13.545 1.00 0.00 H new ATOM 0 HA ASP A 10 4.499 6.805 -13.514 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.640 8.282 -15.036 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.556 6.535 -15.154 1.00 0.00 H new ATOM 76 N GLN A 11 7.749 7.163 -12.463 1.00 0.00 N ATOM 77 CA GLN A 11 8.760 6.527 -11.621 1.00 0.00 C ATOM 78 C GLN A 11 8.189 6.213 -10.255 1.00 0.00 C ATOM 79 O GLN A 11 8.416 5.148 -9.666 1.00 0.00 O ATOM 80 CB GLN A 11 9.973 7.474 -11.504 1.00 0.00 C ATOM 81 CG GLN A 11 9.706 8.853 -10.813 1.00 0.00 C ATOM 82 CD GLN A 11 10.652 9.331 -9.704 1.00 0.00 C ATOM 83 OE1 GLN A 11 10.232 9.957 -8.743 1.00 0.00 O ATOM 84 NE2 GLN A 11 11.935 9.091 -9.790 1.00 0.00 N ATOM 0 H GLN A 11 8.066 8.010 -12.934 1.00 0.00 H new ATOM 0 HA GLN A 11 9.077 5.586 -12.071 1.00 0.00 H new ATOM 0 HB2 GLN A 11 10.758 6.959 -10.950 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.360 7.661 -12.506 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.703 9.615 -11.592 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.700 8.821 -10.395 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.304 8.570 -10.585 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.566 9.425 -9.062 1.00 0.00 H new ATOM 85 N ARG A 12 7.303 7.250 -9.681 1.00 0.00 N ATOM 86 CA ARG A 12 6.635 7.114 -8.395 1.00 0.00 C ATOM 87 C ARG A 12 5.928 5.791 -8.233 1.00 0.00 C ATOM 88 O ARG A 12 6.400 4.832 -7.585 1.00 0.00 O ATOM 89 CB ARG A 12 5.607 8.287 -8.260 1.00 0.00 C ATOM 90 CG ARG A 12 6.170 9.585 -7.633 1.00 0.00 C ATOM 91 CD ARG A 12 5.550 9.907 -6.266 1.00 0.00 C ATOM 92 NE ARG A 12 6.429 10.885 -5.576 1.00 0.00 N ATOM 93 CZ ARG A 12 6.724 12.100 -6.017 1.00 0.00 C ATOM 94 NH1 ARG A 12 6.273 12.608 -7.126 1.00 0.00 N ATOM 95 NH2 ARG A 12 7.510 12.819 -5.296 1.00 0.00 N ATOM 0 H ARG A 12 7.102 8.132 -10.153 1.00 0.00 H new ATOM 0 HA ARG A 12 7.392 7.153 -7.611 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.214 8.521 -9.250 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.767 7.945 -7.656 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.250 9.490 -7.523 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.991 10.418 -8.313 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.548 10.318 -6.390 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.450 8.999 -5.671 1.00 0.00 H new ATOM 0 HE ARG A 12 6.840 10.598 -4.688 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.649 12.062 -7.720 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.544 13.552 -7.402 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.881 12.448 -4.421 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.762 13.760 -5.599 1.00 0.00 H new ATOM 96 N TRP A 13 4.624 5.666 -8.935 1.00 0.00 N ATOM 97 CA TRP A 13 3.753 4.525 -8.695 1.00 0.00 C ATOM 98 C TRP A 13 4.307 3.277 -9.340 1.00 0.00 C ATOM 99 O TRP A 13 4.077 2.149 -8.884 1.00 0.00 O ATOM 100 CB TRP A 13 2.322 4.799 -9.268 1.00 0.00 C ATOM 101 CG TRP A 13 1.558 3.466 -9.402 1.00 0.00 C ATOM 102 CD1 TRP A 13 1.390 2.728 -10.590 1.00 0.00 C ATOM 103 CD2 TRP A 13 1.015 2.708 -8.390 1.00 0.00 C ATOM 104 NE1 TRP A 13 0.736 1.504 -10.340 1.00 0.00 N ATOM 105 CE2 TRP A 13 0.519 1.513 -8.969 1.00 0.00 C ATOM 106 CE3 TRP A 13 0.930 2.928 -6.990 1.00 0.00 C ATOM 107 CZ2 TRP A 13 -0.073 0.531 -8.144 1.00 0.00 C ATOM 108 CZ3 TRP A 13 0.328 1.948 -6.201 1.00 0.00 C ATOM 109 CH2 TRP A 13 -0.168 0.766 -6.769 1.00 0.00 C ATOM 0 H TRP A 13 4.265 6.344 -9.606 1.00 0.00 H new ATOM 0 HA TRP A 13 3.695 4.376 -7.617 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.779 5.477 -8.610 1.00 0.00 H new ATOM 0 HB3 TRP A 13 2.395 5.288 -10.239 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.719 3.057 -11.565 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.481 0.780 -11.011 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.322 3.832 -6.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -0.447 -0.389 -8.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.243 2.102 -5.135 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.631 0.025 -6.134 1.00 0.00 H new ATOM 110 N GLN A 14 5.100 3.468 -10.578 1.00 0.00 N ATOM 111 CA GLN A 14 5.837 2.364 -11.187 1.00 0.00 C ATOM 112 C GLN A 14 6.748 1.722 -10.160 1.00 0.00 C ATOM 113 O GLN A 14 6.954 0.501 -10.138 1.00 0.00 O ATOM 114 CB GLN A 14 6.650 2.891 -12.386 1.00 0.00 C ATOM 115 CG GLN A 14 7.489 1.828 -13.173 1.00 0.00 C ATOM 116 CD GLN A 14 7.975 2.154 -14.590 1.00 0.00 C ATOM 117 OE1 GLN A 14 7.519 1.575 -15.563 1.00 0.00 O ATOM 118 NE2 GLN A 14 8.900 3.062 -14.771 1.00 0.00 N ATOM 0 H GLN A 14 5.182 4.356 -11.073 1.00 0.00 H new ATOM 0 HA GLN A 14 5.137 1.608 -11.542 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.962 3.369 -13.083 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.328 3.665 -12.027 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.367 1.593 -12.572 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.891 0.918 -13.233 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.293 3.556 -13.970 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.228 3.275 -15.713 1.00 0.00 H new ATOM 119 N SER A 15 7.354 2.648 -9.176 1.00 0.00 N ATOM 120 CA SER A 15 8.108 2.164 -8.025 1.00 0.00 C ATOM 121 C SER A 15 7.260 1.238 -7.182 1.00 0.00 C ATOM 122 O SER A 15 7.728 0.185 -6.719 1.00 0.00 O ATOM 123 CB SER A 15 8.684 3.333 -7.187 1.00 0.00 C ATOM 124 OG SER A 15 10.088 3.526 -7.391 1.00 0.00 O ATOM 0 H SER A 15 7.286 3.664 -9.236 1.00 0.00 H new ATOM 0 HA SER A 15 8.958 1.593 -8.397 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.155 4.251 -7.442 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.498 3.142 -6.130 1.00 0.00 H new ATOM 0 HG SER A 15 10.399 4.275 -6.841 1.00 0.00 H new ATOM 125 N VAL A 16 5.849 1.650 -6.944 1.00 0.00 N ATOM 126 CA VAL A 16 4.921 0.743 -6.273 1.00 0.00 C ATOM 127 C VAL A 16 4.836 -0.605 -6.945 1.00 0.00 C ATOM 128 O VAL A 16 4.955 -1.671 -6.292 1.00 0.00 O ATOM 129 CB VAL A 16 3.493 1.369 -6.047 1.00 0.00 C ATOM 130 CG1 VAL A 16 2.663 0.752 -4.873 1.00 0.00 C ATOM 131 CG2 VAL A 16 3.514 2.887 -5.749 1.00 0.00 C ATOM 0 H VAL A 16 5.453 2.549 -7.219 1.00 0.00 H new ATOM 0 HA VAL A 16 5.347 0.581 -5.283 1.00 0.00 H new ATOM 0 HB VAL A 16 3.026 1.142 -7.005 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.698 1.255 -4.806 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.506 -0.311 -5.058 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.206 0.881 -3.937 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.494 3.244 -5.605 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.094 3.072 -4.845 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.969 3.416 -6.587 1.00 0.00 H new ATOM 132 N LEU A 17 4.553 -0.645 -8.393 1.00 0.00 N ATOM 133 CA LEU A 17 4.446 -1.917 -9.135 1.00 0.00 C ATOM 134 C LEU A 17 5.649 -2.787 -8.884 1.00 0.00 C ATOM 135 O LEU A 17 5.575 -3.983 -8.573 1.00 0.00 O ATOM 136 CB LEU A 17 4.263 -1.660 -10.660 1.00 0.00 C ATOM 137 CG LEU A 17 3.039 -0.816 -11.109 1.00 0.00 C ATOM 138 CD1 LEU A 17 2.845 -0.934 -12.627 1.00 0.00 C ATOM 139 CD2 LEU A 17 1.742 -1.220 -10.389 1.00 0.00 C ATOM 0 H LEU A 17 4.415 0.187 -8.967 1.00 0.00 H new ATOM 0 HA LEU A 17 3.563 -2.443 -8.772 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.163 -1.167 -11.027 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.204 -2.628 -11.158 1.00 0.00 H new ATOM 0 HG LEU A 17 3.252 0.218 -10.838 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.984 -0.338 -12.931 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.737 -0.570 -13.137 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.676 -1.978 -12.892 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.920 -0.597 -10.742 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.520 -2.266 -10.599 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.865 -1.084 -9.315 1.00 0.00 H new ATOM 205 N PHE A 27 9.514 7.490 -0.381 1.00 0.00 N ATOM 206 CA PHE A 27 8.186 8.093 -0.597 1.00 0.00 C ATOM 207 C PHE A 27 7.075 7.193 -0.120 1.00 0.00 C ATOM 208 O PHE A 27 7.226 5.952 -0.086 1.00 0.00 O ATOM 209 CB PHE A 27 8.011 8.402 -2.113 1.00 0.00 C ATOM 210 CG PHE A 27 7.665 7.223 -3.037 1.00 0.00 C ATOM 211 CD1 PHE A 27 8.440 6.059 -2.982 1.00 0.00 C ATOM 212 CD2 PHE A 27 6.605 7.301 -3.942 1.00 0.00 C ATOM 213 CE1 PHE A 27 8.155 4.985 -3.817 1.00 0.00 C ATOM 214 CE2 PHE A 27 6.320 6.224 -4.779 1.00 0.00 C ATOM 215 CZ PHE A 27 7.096 5.068 -4.717 1.00 0.00 C ATOM 0 HA PHE A 27 8.128 9.013 -0.015 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.227 9.153 -2.216 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.935 8.854 -2.474 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.264 5.995 -2.287 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.005 8.197 -3.994 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.754 4.088 -3.768 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.497 6.285 -5.476 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.875 4.235 -5.368 1.00 0.00 H new ATOM 216 N VAL A 28 5.796 7.806 0.312 1.00 0.00 N ATOM 217 CA VAL A 28 4.665 7.032 0.831 1.00 0.00 C ATOM 218 C VAL A 28 3.573 6.906 -0.205 1.00 0.00 C ATOM 219 O VAL A 28 3.568 7.598 -1.233 1.00 0.00 O ATOM 220 CB VAL A 28 4.118 7.709 2.149 1.00 0.00 C ATOM 221 CG1 VAL A 28 4.097 6.815 3.422 1.00 0.00 C ATOM 222 CG2 VAL A 28 4.898 8.974 2.578 1.00 0.00 C ATOM 0 H VAL A 28 5.620 8.810 0.276 1.00 0.00 H new ATOM 0 HA VAL A 28 5.008 6.025 1.068 1.00 0.00 H new ATOM 0 HB VAL A 28 3.100 7.935 1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.702 7.387 4.262 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.464 5.946 3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.110 6.485 3.652 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.461 9.379 3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.941 8.714 2.760 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.843 9.721 1.787 1.00 0.00 H new ATOM 223 N PHE A 29 2.489 5.941 0.090 1.00 0.00 N ATOM 224 CA PHE A 29 1.291 5.816 -0.737 1.00 0.00 C ATOM 225 C PHE A 29 0.072 5.618 0.135 1.00 0.00 C ATOM 226 O PHE A 29 0.128 4.922 1.167 1.00 0.00 O ATOM 227 CB PHE A 29 1.425 4.594 -1.695 1.00 0.00 C ATOM 228 CG PHE A 29 0.826 3.256 -1.232 1.00 0.00 C ATOM 229 CD1 PHE A 29 -0.558 3.061 -1.282 1.00 0.00 C ATOM 230 CD2 PHE A 29 1.654 2.217 -0.800 1.00 0.00 C ATOM 231 CE1 PHE A 29 -1.109 1.845 -0.893 1.00 0.00 C ATOM 232 CE2 PHE A 29 1.101 1.000 -0.413 1.00 0.00 C ATOM 233 CZ PHE A 29 -0.279 0.813 -0.461 1.00 0.00 C ATOM 0 H PHE A 29 2.508 5.304 0.886 1.00 0.00 H new ATOM 0 HA PHE A 29 1.181 6.731 -1.319 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.960 4.859 -2.645 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.485 4.437 -1.892 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.201 3.858 -1.624 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.724 2.358 -0.766 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.179 1.701 -0.926 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.742 0.199 -0.075 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.706 -0.133 -0.163 1.00 0.00 H new ATOM 234 N ALA A 30 -1.174 6.307 -0.262 1.00 0.00 N ATOM 235 CA ALA A 30 -2.351 6.322 0.602 1.00 0.00 C ATOM 236 C ALA A 30 -3.592 5.898 -0.147 1.00 0.00 C ATOM 237 O ALA A 30 -4.244 6.688 -0.842 1.00 0.00 O ATOM 238 CB ALA A 30 -2.469 7.730 1.209 1.00 0.00 C ATOM 0 H ALA A 30 -1.293 6.806 -1.144 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.244 5.596 1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.341 7.773 1.861 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.572 7.953 1.787 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.577 8.463 0.410 1.00 0.00 H new ATOM 239 N VAL A 31 -4.003 4.486 0.031 1.00 0.00 N ATOM 240 CA VAL A 31 -5.205 3.931 -0.582 1.00 0.00 C ATOM 241 C VAL A 31 -6.403 4.120 0.319 1.00 0.00 C ATOM 242 O VAL A 31 -6.614 3.346 1.271 1.00 0.00 O ATOM 243 CB VAL A 31 -4.978 2.396 -0.888 1.00 0.00 C ATOM 244 CG1 VAL A 31 -4.727 1.486 0.349 1.00 0.00 C ATOM 245 CG2 VAL A 31 -6.134 1.716 -1.658 1.00 0.00 C ATOM 0 H VAL A 31 -3.476 3.814 0.590 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.403 4.458 -1.515 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.075 2.463 -1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.585 0.456 0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.835 1.825 0.875 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.585 1.538 1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.893 0.666 -1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.052 1.790 -1.075 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.273 2.212 -2.618 1.00 0.00 H new ATOM 246 N ARG A 32 -7.286 5.276 0.052 1.00 0.00 N ATOM 247 CA ARG A 32 -8.373 5.634 0.964 1.00 0.00 C ATOM 248 C ARG A 32 -9.635 4.868 0.645 1.00 0.00 C ATOM 249 O ARG A 32 -10.562 5.379 -0.004 1.00 0.00 O ATOM 250 CB ARG A 32 -8.606 7.167 0.897 1.00 0.00 C ATOM 251 CG ARG A 32 -9.103 7.705 -0.471 1.00 0.00 C ATOM 252 CD ARG A 32 -10.568 8.159 -0.424 1.00 0.00 C ATOM 253 NE ARG A 32 -10.660 9.507 -1.037 1.00 0.00 N ATOM 254 CZ ARG A 32 -11.192 9.805 -2.214 1.00 0.00 C ATOM 255 NH1 ARG A 32 -11.717 8.934 -3.024 1.00 0.00 N ATOM 256 NH2 ARG A 32 -11.186 11.041 -2.574 1.00 0.00 N ATOM 0 H ARG A 32 -7.200 5.884 -0.762 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.092 5.361 1.981 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.333 7.441 1.662 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.673 7.671 1.149 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.476 8.542 -0.779 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.990 6.928 -1.227 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.201 7.454 -0.962 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.924 8.186 0.606 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.275 10.283 -0.498 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.737 7.947 -2.768 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.108 9.238 -3.916 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.782 11.749 -1.961 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.586 11.312 -3.472 1.00 0.00 H new ATOM 257 N THR A 33 -9.714 3.478 1.142 1.00 0.00 N ATOM 258 CA THR A 33 -10.926 2.665 1.040 1.00 0.00 C ATOM 259 C THR A 33 -11.190 1.962 2.354 1.00 0.00 C ATOM 260 O THR A 33 -12.286 2.015 2.927 1.00 0.00 O ATOM 261 CB THR A 33 -10.801 1.634 -0.129 1.00 0.00 C ATOM 262 OG1 THR A 33 -11.040 2.264 -1.381 1.00 0.00 O ATOM 263 CG2 THR A 33 -11.784 0.441 -0.106 1.00 0.00 C ATOM 0 H THR A 33 -8.932 2.997 1.587 1.00 0.00 H new ATOM 0 HA THR A 33 -11.770 3.319 0.821 1.00 0.00 H new ATOM 0 HB THR A 33 -9.788 1.255 0.006 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.956 1.604 -2.101 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.597 -0.201 -0.967 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.641 -0.131 0.811 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.808 0.812 -0.146 1.00 0.00 H new ATOM 264 N THR A 34 -10.062 1.170 2.895 1.00 0.00 N ATOM 265 CA THR A 34 -10.074 0.591 4.233 1.00 0.00 C ATOM 266 C THR A 34 -9.323 1.481 5.201 1.00 0.00 C ATOM 267 O THR A 34 -9.419 1.340 6.428 1.00 0.00 O ATOM 268 CB THR A 34 -9.459 -0.848 4.220 1.00 0.00 C ATOM 269 OG1 THR A 34 -10.074 -1.646 3.218 1.00 0.00 O ATOM 270 CG2 THR A 34 -9.612 -1.671 5.518 1.00 0.00 C ATOM 0 H THR A 34 -9.208 0.979 2.370 1.00 0.00 H new ATOM 0 HA THR A 34 -11.110 0.516 4.564 1.00 0.00 H new ATOM 0 HB THR A 34 -8.400 -0.648 4.056 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.676 -2.542 3.223 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.147 -2.648 5.386 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.127 -1.146 6.341 1.00 0.00 H new ATOM 0 HG23 THR A 34 -10.670 -1.800 5.744 1.00 0.00 H new ATOM 271 N GLY A 35 -8.456 2.516 4.595 1.00 0.00 N ATOM 272 CA GLY A 35 -7.802 3.553 5.387 1.00 0.00 C ATOM 273 C GLY A 35 -6.412 3.131 5.802 1.00 0.00 C ATOM 274 O GLY A 35 -6.119 2.950 6.995 1.00 0.00 O ATOM 0 H GLY A 35 -8.261 2.572 3.595 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.747 4.475 4.808 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.399 3.768 6.273 1.00 0.00 H new ATOM 275 N ILE A 36 -5.411 2.966 4.725 1.00 0.00 N ATOM 276 CA ILE A 36 -4.011 2.673 5.017 1.00 0.00 C ATOM 277 C ILE A 36 -3.082 3.516 4.179 1.00 0.00 C ATOM 278 O ILE A 36 -3.261 3.683 2.962 1.00 0.00 O ATOM 279 CB ILE A 36 -3.705 1.124 4.900 1.00 0.00 C ATOM 280 CG1 ILE A 36 -3.394 0.578 3.472 1.00 0.00 C ATOM 281 CG2 ILE A 36 -4.848 0.244 5.509 1.00 0.00 C ATOM 282 CD1 ILE A 36 -2.210 -0.408 3.370 1.00 0.00 C ATOM 0 H ILE A 36 -5.626 3.044 3.731 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.823 2.947 6.055 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.783 1.040 5.476 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.287 0.083 3.091 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.194 1.425 2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.591 -0.810 5.404 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.969 0.485 6.565 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.781 0.444 4.982 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.086 -0.722 2.333 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.298 0.081 3.713 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.409 -1.281 3.992 1.00 0.00 H new ATOM 283 N PHE A 37 -1.969 4.175 4.895 1.00 0.00 N ATOM 284 CA PHE A 37 -0.879 4.870 4.190 1.00 0.00 C ATOM 285 C PHE A 37 0.417 4.133 4.427 1.00 0.00 C ATOM 286 O PHE A 37 0.923 4.111 5.581 1.00 0.00 O ATOM 287 CB PHE A 37 -0.788 6.343 4.685 1.00 0.00 C ATOM 288 CG PHE A 37 0.016 6.656 5.955 1.00 0.00 C ATOM 289 CD1 PHE A 37 1.383 6.940 5.855 1.00 0.00 C ATOM 290 CD2 PHE A 37 -0.611 6.724 7.202 1.00 0.00 C ATOM 291 CE1 PHE A 37 2.114 7.284 6.987 1.00 0.00 C ATOM 292 CE2 PHE A 37 0.120 7.077 8.333 1.00 0.00 C ATOM 293 CZ PHE A 37 1.482 7.355 8.226 1.00 0.00 C ATOM 0 H PHE A 37 -1.884 4.192 5.911 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.078 4.886 3.118 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.366 6.936 3.874 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.806 6.699 4.844 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.873 6.892 4.894 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.664 6.502 7.289 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.170 7.496 6.905 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.369 7.136 9.294 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.048 7.626 9.105 1.00 0.00 H new ATOM 294 N CYS A 38 1.066 3.399 3.322 1.00 0.00 N ATOM 295 CA CYS A 38 2.198 2.503 3.537 1.00 0.00 C ATOM 296 C CYS A 38 3.381 2.860 2.675 1.00 0.00 C ATOM 297 O CYS A 38 3.259 3.611 1.689 1.00 0.00 O ATOM 298 CB CYS A 38 1.721 1.058 3.219 1.00 0.00 C ATOM 299 SG CYS A 38 2.914 -0.169 3.822 1.00 0.00 S ATOM 0 H CYS A 38 0.770 3.469 2.348 1.00 0.00 H new ATOM 0 HA CYS A 38 2.531 2.591 4.571 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.749 0.882 3.680 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.589 0.944 2.143 1.00 0.00 H new ATOM 0 HG CYS A 38 2.426 -0.773 4.864 1.00 0.00 H new ATOM 300 N ARG A 39 4.687 2.305 3.077 1.00 0.00 N ATOM 301 CA ARG A 39 5.838 2.364 2.148 1.00 0.00 C ATOM 302 C ARG A 39 5.553 1.337 1.062 1.00 0.00 C ATOM 303 O ARG A 39 5.541 0.127 1.318 1.00 0.00 O ATOM 304 CB ARG A 39 7.167 2.189 2.911 1.00 0.00 C ATOM 305 CG ARG A 39 7.789 0.768 2.945 1.00 0.00 C ATOM 306 CD ARG A 39 7.146 -0.129 4.009 1.00 0.00 C ATOM 307 NE ARG A 39 6.727 -1.405 3.379 1.00 0.00 N ATOM 308 CZ ARG A 39 7.543 -2.339 2.909 1.00 0.00 C ATOM 309 NH1 ARG A 39 8.841 -2.257 2.931 1.00 0.00 N ATOM 310 NH2 ARG A 39 7.010 -3.393 2.401 1.00 0.00 N ATOM 0 H ARG A 39 4.879 1.864 3.977 1.00 0.00 H new ATOM 0 HA ARG A 39 5.959 3.336 1.669 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.899 2.867 2.472 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.010 2.513 3.940 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.677 0.302 1.966 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.859 0.848 3.140 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.853 -0.322 4.815 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.286 0.372 4.453 1.00 0.00 H new ATOM 0 HE ARG A 39 5.725 -1.579 3.301 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.293 -1.434 3.329 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.406 -3.016 2.551 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.995 -3.487 2.371 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.602 -4.135 2.028 1.00 0.00 H new ATOM 311 N PRO A 40 5.329 1.861 -0.294 1.00 0.00 N ATOM 312 CA PRO A 40 4.939 1.072 -1.558 1.00 0.00 C ATOM 313 C PRO A 40 5.043 -0.428 -1.572 1.00 0.00 C ATOM 314 O PRO A 40 5.753 -1.033 -2.387 1.00 0.00 O ATOM 315 CB PRO A 40 5.774 1.729 -2.656 1.00 0.00 C ATOM 316 CG PRO A 40 5.595 3.211 -2.271 1.00 0.00 C ATOM 317 CD PRO A 40 5.419 3.276 -0.749 1.00 0.00 C ATOM 0 HA PRO A 40 3.857 1.141 -1.673 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.817 1.414 -2.632 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.398 1.509 -3.655 1.00 0.00 H new ATOM 0 HG2 PRO A 40 6.461 3.795 -2.582 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.727 3.636 -2.775 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.260 3.786 -0.279 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.520 3.831 -0.482 1.00 0.00 H new ATOM 318 N SER A 41 4.205 -1.150 -0.582 1.00 0.00 N ATOM 319 CA SER A 41 4.050 -2.598 -0.573 1.00 0.00 C ATOM 320 C SER A 41 3.161 -3.073 0.552 1.00 0.00 C ATOM 321 O SER A 41 3.470 -2.836 1.743 1.00 0.00 O ATOM 322 CB SER A 41 5.435 -3.305 -0.508 1.00 0.00 C ATOM 323 OG SER A 41 5.495 -4.473 -1.333 1.00 0.00 O ATOM 0 H SER A 41 3.683 -0.678 0.156 1.00 0.00 H new ATOM 0 HA SER A 41 3.561 -2.869 -1.509 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.211 -2.605 -0.818 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.649 -3.582 0.524 1.00 0.00 H new ATOM 0 HG SER A 41 6.383 -4.880 -1.260 1.00 0.00 H new ATOM 324 N CYS A 42 1.926 -3.818 0.229 1.00 0.00 N ATOM 325 CA CYS A 42 1.148 -4.507 1.252 1.00 0.00 C ATOM 326 C CYS A 42 0.695 -5.862 0.729 1.00 0.00 C ATOM 327 O CYS A 42 0.137 -5.986 -0.369 1.00 0.00 O ATOM 328 CB CYS A 42 -0.021 -3.682 1.810 1.00 0.00 C ATOM 329 SG CYS A 42 0.461 -2.024 2.326 1.00 0.00 S ATOM 0 H CYS A 42 1.543 -3.898 -0.713 1.00 0.00 H new ATOM 0 HA CYS A 42 1.807 -4.656 2.107 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.799 -3.607 1.050 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.455 -4.208 2.660 1.00 0.00 H new ATOM 0 HG CYS A 42 1.539 -2.091 3.049 1.00 0.00 H new ATOM 330 N ARG A 43 0.992 -7.024 1.592 1.00 0.00 N ATOM 331 CA ARG A 43 0.807 -8.406 1.164 1.00 0.00 C ATOM 332 C ARG A 43 -0.645 -8.800 1.075 1.00 0.00 C ATOM 333 O ARG A 43 -0.998 -9.817 0.445 1.00 0.00 O ATOM 334 CB ARG A 43 1.620 -9.325 2.122 1.00 0.00 C ATOM 335 CG ARG A 43 2.907 -8.669 2.691 1.00 0.00 C ATOM 336 CD ARG A 43 3.460 -9.407 3.916 1.00 0.00 C ATOM 337 NE ARG A 43 4.896 -9.059 4.061 1.00 0.00 N ATOM 338 CZ ARG A 43 5.868 -9.445 3.245 1.00 0.00 C ATOM 339 NH1 ARG A 43 5.691 -10.195 2.197 1.00 0.00 N ATOM 340 NH2 ARG A 43 7.061 -9.049 3.513 1.00 0.00 N ATOM 0 H ARG A 43 1.346 -6.935 2.544 1.00 0.00 H new ATOM 0 HA ARG A 43 1.183 -8.521 0.147 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.980 -9.623 2.952 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.895 -10.235 1.589 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.670 -8.643 1.913 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.693 -7.635 2.962 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.908 -9.122 4.812 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.340 -10.484 3.797 1.00 0.00 H new ATOM 0 HE ARG A 43 5.157 -8.474 4.855 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.756 -10.525 1.958 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.487 -10.453 1.614 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.232 -8.460 4.328 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.837 -9.324 2.911 1.00 0.00 H new ATOM 341 N ALA A 44 -1.637 -7.921 1.727 1.00 0.00 N ATOM 342 CA ALA A 44 -3.070 -8.100 1.536 1.00 0.00 C ATOM 343 C ALA A 44 -3.442 -7.749 0.101 1.00 0.00 C ATOM 344 O ALA A 44 -2.593 -7.514 -0.767 1.00 0.00 O ATOM 345 CB ALA A 44 -3.803 -7.211 2.554 1.00 0.00 C ATOM 0 H ALA A 44 -1.390 -7.146 2.342 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.363 -9.137 1.702 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.880 -7.328 2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.520 -7.505 3.565 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.530 -6.169 2.390 1.00 0.00 H new ATOM 346 N ARG A 45 -4.903 -7.760 -0.177 1.00 0.00 N ATOM 347 CA ARG A 45 -5.436 -7.279 -1.448 1.00 0.00 C ATOM 348 C ARG A 45 -4.784 -5.961 -1.818 1.00 0.00 C ATOM 349 O ARG A 45 -5.203 -4.888 -1.361 1.00 0.00 O ATOM 350 CB ARG A 45 -6.977 -7.142 -1.347 1.00 0.00 C ATOM 351 CG ARG A 45 -7.685 -8.242 -0.513 1.00 0.00 C ATOM 352 CD ARG A 45 -7.350 -9.658 -0.997 1.00 0.00 C ATOM 353 NE ARG A 45 -8.570 -10.495 -0.873 1.00 0.00 N ATOM 354 CZ ARG A 45 -8.622 -11.810 -1.043 1.00 0.00 C ATOM 355 NH1 ARG A 45 -7.599 -12.551 -1.351 1.00 0.00 N ATOM 356 NH2 ARG A 45 -9.764 -12.382 -0.892 1.00 0.00 N ATOM 0 H ARG A 45 -5.608 -8.093 0.480 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.209 -7.996 -2.237 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.212 -6.171 -0.911 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.393 -7.148 -2.354 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.396 -8.142 0.533 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.763 -8.091 -0.561 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.009 -9.635 -2.032 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.539 -10.080 -0.404 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.441 -10.019 -0.637 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.681 -12.125 -1.478 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.715 -13.558 -1.466 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.585 -11.826 -0.651 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.849 -13.391 -1.013 1.00 0.00 H new ATOM 357 N HIS A 46 -3.609 -6.032 -2.713 1.00 0.00 N ATOM 358 CA HIS A 46 -2.772 -4.871 -2.993 1.00 0.00 C ATOM 359 C HIS A 46 -3.599 -3.636 -3.253 1.00 0.00 C ATOM 360 O HIS A 46 -4.331 -3.535 -4.247 1.00 0.00 O ATOM 361 CB HIS A 46 -1.905 -5.219 -4.214 1.00 0.00 C ATOM 362 CG HIS A 46 -0.525 -4.632 -4.106 1.00 0.00 C ATOM 363 ND1 HIS A 46 0.654 -5.222 -4.554 1.00 0.00 N ATOM 364 CD2 HIS A 46 -0.285 -3.395 -3.522 1.00 0.00 C ATOM 365 CE1 HIS A 46 1.537 -4.271 -4.194 1.00 0.00 C ATOM 366 NE2 HIS A 46 1.063 -3.154 -3.579 1.00 0.00 N ATOM 0 H HIS A 46 -3.311 -6.885 -3.187 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.149 -4.643 -2.128 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.832 -6.302 -4.311 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.387 -4.849 -5.119 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -1.030 -2.738 -3.097 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.592 -4.392 -4.388 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.581 -2.341 -3.244 1.00 0.00 H new ATOM 367 N ALA A 47 -3.517 -2.568 -2.230 1.00 0.00 N ATOM 368 CA ALA A 47 -4.131 -1.256 -2.395 1.00 0.00 C ATOM 369 C ALA A 47 -4.142 -0.812 -3.838 1.00 0.00 C ATOM 370 O ALA A 47 -3.105 -0.476 -4.427 1.00 0.00 O ATOM 371 CB ALA A 47 -3.368 -0.274 -1.483 1.00 0.00 C ATOM 0 H ALA A 47 -3.025 -2.681 -1.344 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.181 -1.292 -2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.800 0.722 -1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.445 -0.605 -0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.319 -0.245 -1.777 1.00 0.00 H new ATOM 372 N LEU A 48 -5.463 -0.793 -4.504 1.00 0.00 N ATOM 373 CA LEU A 48 -5.653 -0.232 -5.838 1.00 0.00 C ATOM 374 C LEU A 48 -5.079 1.163 -5.924 1.00 0.00 C ATOM 375 O LEU A 48 -5.206 1.979 -5.001 1.00 0.00 O ATOM 376 CB LEU A 48 -7.160 -0.241 -6.223 1.00 0.00 C ATOM 377 CG LEU A 48 -8.202 0.028 -5.103 1.00 0.00 C ATOM 378 CD1 LEU A 48 -9.147 1.161 -5.523 1.00 0.00 C ATOM 379 CD2 LEU A 48 -9.021 -1.222 -4.738 1.00 0.00 C ATOM 0 H LEU A 48 -6.314 -1.164 -4.082 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.116 -0.856 -6.552 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.309 0.505 -7.004 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.386 -1.212 -6.663 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.642 0.318 -4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.873 1.341 -4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.570 2.069 -5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.670 0.879 -6.437 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.732 -0.974 -3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.561 -1.573 -5.617 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.351 -2.007 -4.387 1.00 0.00 H new ATOM 380 N ARG A 49 -4.325 1.485 -7.155 1.00 0.00 N ATOM 381 CA ARG A 49 -3.776 2.811 -7.419 1.00 0.00 C ATOM 382 C ARG A 49 -4.855 3.795 -7.804 1.00 0.00 C ATOM 383 O ARG A 49 -4.602 5.003 -7.953 1.00 0.00 O ATOM 384 CB ARG A 49 -2.708 2.689 -8.546 1.00 0.00 C ATOM 385 CG ARG A 49 -2.842 3.734 -9.684 1.00 0.00 C ATOM 386 CD ARG A 49 -1.837 3.513 -10.821 1.00 0.00 C ATOM 387 NE ARG A 49 -2.125 4.498 -11.896 1.00 0.00 N ATOM 388 CZ ARG A 49 -2.913 4.288 -12.942 1.00 0.00 C ATOM 389 NH1 ARG A 49 -3.553 3.179 -13.168 1.00 0.00 N ATOM 390 NH2 ARG A 49 -3.049 5.250 -13.784 1.00 0.00 N ATOM 0 H ARG A 49 -4.141 0.807 -7.894 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.314 3.194 -6.509 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.718 2.783 -8.100 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.770 1.691 -8.979 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.854 3.696 -10.088 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.701 4.733 -9.271 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.817 3.637 -10.456 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.917 2.496 -11.206 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.679 5.412 -11.823 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.466 2.398 -12.518 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.142 3.090 -13.996 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.560 6.132 -13.633 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.646 5.131 -14.603 1.00 0.00 H new ATOM 391 N GLU A 50 -6.230 3.273 -7.951 1.00 0.00 N ATOM 392 CA GLU A 50 -7.311 4.071 -8.517 1.00 0.00 C ATOM 393 C GLU A 50 -7.951 5.002 -7.517 1.00 0.00 C ATOM 394 O GLU A 50 -8.736 5.897 -7.900 1.00 0.00 O ATOM 395 CB GLU A 50 -8.364 3.103 -9.134 1.00 0.00 C ATOM 396 CG GLU A 50 -9.348 2.389 -8.150 1.00 0.00 C ATOM 397 CD GLU A 50 -9.959 1.052 -8.576 1.00 0.00 C ATOM 398 OE1 GLU A 50 -10.914 1.168 -9.540 1.00 0.00 O ATOM 399 OE2 GLU A 50 -9.617 -0.020 -8.094 1.00 0.00 O ATOM 0 H GLU A 50 -6.510 2.333 -7.670 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.890 4.719 -9.286 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.957 3.666 -9.855 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.829 2.335 -9.692 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.820 2.228 -7.210 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.167 3.077 -7.942 1.00 0.00 H new ATOM 400 N ASN A 51 -7.597 4.851 -6.100 1.00 0.00 N ATOM 401 CA ASN A 51 -8.146 5.732 -5.034 1.00 0.00 C ATOM 402 C ASN A 51 -6.976 6.159 -4.166 1.00 0.00 C ATOM 403 O ASN A 51 -7.123 6.559 -3.003 1.00 0.00 O ATOM 404 CB ASN A 51 -9.050 4.806 -4.179 1.00 0.00 C ATOM 405 CG ASN A 51 -8.300 3.827 -3.245 1.00 0.00 C ATOM 406 OD1 ASN A 51 -7.609 2.917 -3.671 1.00 0.00 O ATOM 407 ND2 ASN A 51 -8.446 3.984 -1.959 1.00 0.00 N ATOM 0 H ASN A 51 -6.956 4.137 -5.755 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.678 6.600 -5.423 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.708 5.428 -3.573 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.686 4.227 -4.849 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.983 3.346 -1.312 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.023 4.744 -1.600 1.00 0.00 H new ATOM 408 N VAL A 52 -5.640 6.005 -4.782 1.00 0.00 N ATOM 409 CA VAL A 52 -4.410 6.022 -3.995 1.00 0.00 C ATOM 410 C VAL A 52 -3.786 7.392 -4.025 1.00 0.00 C ATOM 411 O VAL A 52 -3.934 8.117 -5.049 1.00 0.00 O ATOM 412 CB VAL A 52 -3.419 4.913 -4.537 1.00 0.00 C ATOM 413 CG1 VAL A 52 -2.344 5.375 -5.556 1.00 0.00 C ATOM 414 CG2 VAL A 52 -2.641 4.178 -3.417 1.00 0.00 C ATOM 0 H VAL A 52 -5.492 5.879 -5.783 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.639 5.794 -2.954 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.128 4.260 -5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.730 4.523 -5.849 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.833 5.790 -6.437 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.713 6.137 -5.099 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.981 3.433 -3.861 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.048 4.898 -2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.346 3.686 -2.747 1.00 0.00 H new ATOM 415 N SER A 53 -2.980 7.872 -2.884 1.00 0.00 N ATOM 416 CA SER A 53 -2.310 9.175 -2.902 1.00 0.00 C ATOM 417 C SER A 53 -0.874 9.077 -2.450 1.00 0.00 C ATOM 418 O SER A 53 -0.545 8.409 -1.459 1.00 0.00 O ATOM 419 CB SER A 53 -3.107 10.211 -2.072 1.00 0.00 C ATOM 420 OG SER A 53 -2.540 11.526 -2.128 1.00 0.00 O ATOM 0 H SER A 53 -2.839 7.340 -2.025 1.00 0.00 H new ATOM 0 HA SER A 53 -2.285 9.522 -3.935 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.134 10.248 -2.436 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.148 9.883 -1.033 1.00 0.00 H new ATOM 0 HG SER A 53 -3.082 12.139 -1.589 1.00 0.00 H new ATOM 421 N PHE A 54 0.124 9.851 -3.228 1.00 0.00 N ATOM 422 CA PHE A 54 1.556 9.713 -2.990 1.00 0.00 C ATOM 423 C PHE A 54 2.125 10.916 -2.265 1.00 0.00 C ATOM 424 O PHE A 54 1.862 12.085 -2.579 1.00 0.00 O ATOM 425 CB PHE A 54 2.336 9.521 -4.323 1.00 0.00 C ATOM 426 CG PHE A 54 1.723 8.617 -5.404 1.00 0.00 C ATOM 427 CD1 PHE A 54 1.044 7.450 -5.037 1.00 0.00 C ATOM 428 CD2 PHE A 54 1.853 8.940 -6.758 1.00 0.00 C ATOM 429 CE1 PHE A 54 0.497 6.620 -6.010 1.00 0.00 C ATOM 430 CE2 PHE A 54 1.305 8.108 -7.731 1.00 0.00 C ATOM 431 CZ PHE A 54 0.628 6.949 -7.357 1.00 0.00 C ATOM 0 H PHE A 54 -0.118 10.515 -3.963 1.00 0.00 H new ATOM 0 HA PHE A 54 1.678 8.829 -2.364 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.490 10.506 -4.762 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.321 9.124 -4.077 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.944 7.192 -3.993 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.380 9.837 -7.050 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.029 5.722 -5.721 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.405 8.361 -8.776 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.204 6.305 -8.113 1.00 0.00 H new ATOM 432 N TYR A 55 3.059 10.611 -1.162 1.00 0.00 N ATOM 433 CA TYR A 55 3.845 11.602 -0.415 1.00 0.00 C ATOM 434 C TYR A 55 5.315 11.260 -0.485 1.00 0.00 C ATOM 435 O TYR A 55 5.692 10.152 -0.967 1.00 0.00 O ATOM 436 CB TYR A 55 3.399 11.570 1.077 1.00 0.00 C ATOM 437 CG TYR A 55 1.900 11.277 1.315 1.00 0.00 C ATOM 438 CD1 TYR A 55 1.409 9.979 1.461 1.00 0.00 C ATOM 439 CD2 TYR A 55 1.012 12.368 1.392 1.00 0.00 C ATOM 440 CE1 TYR A 55 0.051 9.767 1.680 1.00 0.00 C ATOM 441 CE2 TYR A 55 -0.345 12.145 1.610 1.00 0.00 C ATOM 442 CZ TYR A 55 -0.823 10.847 1.756 1.00 0.00 C ATOM 443 OH TYR A 55 -2.155 10.635 1.972 1.00 0.00 O ATOM 0 H TYR A 55 3.222 9.657 -0.839 1.00 0.00 H new ATOM 0 HA TYR A 55 3.683 12.590 -0.847 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.987 10.814 1.598 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.641 12.531 1.531 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.084 9.138 1.404 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.383 13.376 1.282 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.326 8.761 1.791 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.027 12.981 1.666 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.623 11.496 1.999 1.00 0.00 H new ATOM 444 N ALA A 56 6.349 12.225 -0.050 1.00 0.00 N ATOM 445 CA ALA A 56 7.764 11.872 0.096 1.00 0.00 C ATOM 446 C ALA A 56 8.070 11.208 1.417 1.00 0.00 C ATOM 447 O ALA A 56 9.064 10.455 1.531 1.00 0.00 O ATOM 448 CB ALA A 56 8.582 13.158 -0.123 1.00 0.00 C ATOM 0 H ALA A 56 6.144 13.198 0.176 1.00 0.00 H new ATOM 0 HA ALA A 56 8.036 11.124 -0.648 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.644 12.935 -0.022 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.386 13.548 -1.122 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.295 13.903 0.620 1.00 0.00 H new ATOM 449 N ASN A 57 7.200 11.498 2.578 1.00 0.00 N ATOM 450 CA ASN A 57 7.435 10.895 3.887 1.00 0.00 C ATOM 451 C ASN A 57 6.152 10.611 4.631 1.00 0.00 C ATOM 452 O ASN A 57 5.097 11.212 4.387 1.00 0.00 O ATOM 453 CB ASN A 57 8.369 11.807 4.735 1.00 0.00 C ATOM 454 CG ASN A 57 8.865 11.235 6.069 1.00 0.00 C ATOM 455 OD1 ASN A 57 8.821 11.870 7.112 1.00 0.00 O ATOM 456 ND2 ASN A 57 9.335 10.017 6.092 1.00 0.00 N ATOM 0 H ASN A 57 6.396 12.124 2.543 1.00 0.00 H new ATOM 0 HA ASN A 57 7.922 9.934 3.720 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.239 12.060 4.129 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.841 12.738 4.940 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.657 9.611 6.971 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.380 9.471 5.231 1.00 0.00 H new ATOM 457 N ALA A 58 6.237 9.576 5.690 1.00 0.00 N ATOM 458 CA ALA A 58 5.128 9.273 6.587 1.00 0.00 C ATOM 459 C ALA A 58 4.813 10.414 7.524 1.00 0.00 C ATOM 460 O ALA A 58 3.741 10.440 8.161 1.00 0.00 O ATOM 461 CB ALA A 58 5.474 7.973 7.337 1.00 0.00 C ATOM 0 H ALA A 58 7.070 9.013 5.859 1.00 0.00 H new ATOM 0 HA ALA A 58 4.215 9.132 6.008 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.662 7.719 8.018 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.612 7.165 6.619 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.393 8.115 7.905 1.00 0.00 H new ATOM 462 N SER A 59 5.828 11.476 7.690 1.00 0.00 N ATOM 463 CA SER A 59 5.551 12.690 8.457 1.00 0.00 C ATOM 464 C SER A 59 4.401 13.456 7.847 1.00 0.00 C ATOM 465 O SER A 59 3.593 14.085 8.544 1.00 0.00 O ATOM 466 CB SER A 59 6.817 13.571 8.592 1.00 0.00 C ATOM 467 OG SER A 59 6.840 14.332 9.805 1.00 0.00 O ATOM 0 H SER A 59 6.766 11.435 7.291 1.00 0.00 H new ATOM 0 HA SER A 59 5.257 12.395 9.464 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.702 12.936 8.551 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.873 14.251 7.742 1.00 0.00 H new ATOM 0 HG SER A 59 7.660 14.868 9.840 1.00 0.00 H new ATOM 468 N GLU A 60 4.319 13.442 6.369 1.00 0.00 N ATOM 469 CA GLU A 60 3.243 14.109 5.642 1.00 0.00 C ATOM 470 C GLU A 60 1.934 13.368 5.777 1.00 0.00 C ATOM 471 O GLU A 60 0.914 13.926 6.209 1.00 0.00 O ATOM 472 CB GLU A 60 3.664 14.246 4.151 1.00 0.00 C ATOM 473 CG GLU A 60 2.523 14.218 3.081 1.00 0.00 C ATOM 474 CD GLU A 60 2.282 15.479 2.246 1.00 0.00 C ATOM 475 OE1 GLU A 60 3.397 15.935 1.610 1.00 0.00 O ATOM 476 OE2 GLU A 60 1.190 16.024 2.161 1.00 0.00 O ATOM 0 H GLU A 60 4.998 12.973 5.770 1.00 0.00 H new ATOM 0 HA GLU A 60 3.081 15.098 6.069 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.210 15.183 4.039 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.362 13.441 3.922 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.732 13.398 2.393 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.592 13.975 3.593 1.00 0.00 H new ATOM 477 N ALA A 61 1.913 11.957 5.328 1.00 0.00 N ATOM 478 CA ALA A 61 0.720 11.128 5.453 1.00 0.00 C ATOM 479 C ALA A 61 0.200 11.040 6.868 1.00 0.00 C ATOM 480 O ALA A 61 -1.009 10.793 7.082 1.00 0.00 O ATOM 481 CB ALA A 61 1.039 9.750 4.849 1.00 0.00 C ATOM 0 H ALA A 61 2.713 11.481 4.911 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.098 11.591 4.902 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.163 9.106 4.928 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.310 9.867 3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.871 9.299 5.390 1.00 0.00 H new ATOM 482 N LEU A 62 1.150 11.206 7.987 1.00 0.00 N ATOM 483 CA LEU A 62 0.692 11.303 9.376 1.00 0.00 C ATOM 484 C LEU A 62 0.098 12.666 9.641 1.00 0.00 C ATOM 485 O LEU A 62 -0.985 12.802 10.228 1.00 0.00 O ATOM 486 CB LEU A 62 1.849 10.986 10.363 1.00 0.00 C ATOM 487 CG LEU A 62 1.480 10.469 11.781 1.00 0.00 C ATOM 488 CD1 LEU A 62 1.662 11.590 12.814 1.00 0.00 C ATOM 489 CD2 LEU A 62 0.045 9.922 11.859 1.00 0.00 C ATOM 0 H LEU A 62 2.162 11.263 7.872 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.089 10.560 9.537 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.493 10.242 9.894 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.443 11.892 10.483 1.00 0.00 H new ATOM 0 HG LEU A 62 2.155 9.642 12.002 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.401 11.218 13.805 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.701 11.921 12.813 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.014 12.428 12.559 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.158 9.575 12.872 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.660 10.711 11.598 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.066 9.091 11.162 1.00 0.00 H new ATOM 490 N ALA A 63 0.901 13.826 9.199 1.00 0.00 N ATOM 491 CA ALA A 63 0.379 15.190 9.231 1.00 0.00 C ATOM 492 C ALA A 63 -0.956 15.277 8.531 1.00 0.00 C ATOM 493 O ALA A 63 -1.787 16.151 8.820 1.00 0.00 O ATOM 494 CB ALA A 63 1.438 16.119 8.611 1.00 0.00 C ATOM 0 H ALA A 63 1.856 13.752 8.848 1.00 0.00 H new ATOM 0 HA ALA A 63 0.193 15.505 10.258 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.073 17.146 8.622 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.360 16.056 9.188 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.632 15.814 7.583 1.00 0.00 H new ATOM 495 N ALA A 64 -1.240 14.242 7.511 1.00 0.00 N ATOM 496 CA ALA A 64 -2.555 14.118 6.889 1.00 0.00 C ATOM 497 C ALA A 64 -3.556 13.615 7.914 1.00 0.00 C ATOM 498 O ALA A 64 -4.703 14.068 8.005 1.00 0.00 O ATOM 499 CB ALA A 64 -2.420 13.179 5.680 1.00 0.00 C ATOM 0 H ALA A 64 -0.553 13.563 7.183 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.925 15.081 6.536 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.390 13.068 5.195 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.706 13.599 4.971 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.068 12.203 6.015 1.00 0.00 H new ATOM 500 N GLY A 65 -3.036 12.560 8.820 1.00 0.00 N ATOM 501 CA GLY A 65 -3.816 12.059 9.949 1.00 0.00 C ATOM 502 C GLY A 65 -4.361 10.679 9.621 1.00 0.00 C ATOM 503 O GLY A 65 -5.446 10.269 10.051 1.00 0.00 O ATOM 0 H GLY A 65 -2.120 12.124 8.717 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.193 12.012 10.842 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.636 12.742 10.169 1.00 0.00 H new ATOM 504 N PHE A 66 -3.515 9.875 8.713 1.00 0.00 N ATOM 505 CA PHE A 66 -3.946 8.600 8.147 1.00 0.00 C ATOM 506 C PHE A 66 -3.406 7.433 8.938 1.00 0.00 C ATOM 507 O PHE A 66 -2.891 7.616 10.070 1.00 0.00 O ATOM 508 CB PHE A 66 -3.455 8.513 6.666 1.00 0.00 C ATOM 509 CG PHE A 66 -4.254 7.576 5.750 1.00 0.00 C ATOM 510 CD1 PHE A 66 -5.580 7.265 6.086 1.00 0.00 C ATOM 511 CD2 PHE A 66 -3.680 7.011 4.609 1.00 0.00 C ATOM 512 CE1 PHE A 66 -6.321 6.404 5.286 1.00 0.00 C ATOM 513 CE2 PHE A 66 -4.425 6.148 3.809 1.00 0.00 C ATOM 514 CZ PHE A 66 -5.742 5.844 4.149 1.00 0.00 C ATOM 0 H PHE A 66 -2.579 10.158 8.424 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.034 8.550 8.188 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.476 9.515 6.237 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.414 8.189 6.667 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.026 7.696 6.970 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.658 7.243 4.347 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.343 6.169 5.545 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.982 5.714 2.925 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.316 5.172 3.529 1.00 0.00 H new ATOM 515 N ARG A 67 -3.527 6.070 8.378 1.00 0.00 N ATOM 516 CA ARG A 67 -3.089 4.891 9.128 1.00 0.00 C ATOM 517 C ARG A 67 -1.690 4.475 8.747 1.00 0.00 C ATOM 518 O ARG A 67 -1.440 3.928 7.665 1.00 0.00 O ATOM 519 CB ARG A 67 -4.112 3.737 8.957 1.00 0.00 C ATOM 520 CG ARG A 67 -4.175 2.749 10.155 1.00 0.00 C ATOM 521 CD ARG A 67 -2.901 2.786 11.009 1.00 0.00 C ATOM 522 NE ARG A 67 -3.284 2.966 12.433 1.00 0.00 N ATOM 523 CZ ARG A 67 -3.841 2.042 13.203 1.00 0.00 C ATOM 524 NH1 ARG A 67 -4.138 0.839 12.809 1.00 0.00 N ATOM 525 NH2 ARG A 67 -4.102 2.363 14.421 1.00 0.00 N ATOM 0 H ARG A 67 -3.913 5.864 7.457 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.052 5.150 10.186 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.102 4.166 8.804 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.863 3.179 8.055 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.035 2.993 10.779 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.329 1.737 9.781 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.336 1.862 10.884 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.254 3.602 10.686 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.103 3.877 12.854 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.943 0.554 11.849 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.566 0.180 13.460 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.880 3.299 14.760 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.531 1.682 15.047 1.00 0.00 H new ATOM 526 N PRO A 68 -0.636 4.733 9.753 1.00 0.00 N ATOM 527 CA PRO A 68 0.857 4.433 9.632 1.00 0.00 C ATOM 528 C PRO A 68 1.190 2.983 9.342 1.00 0.00 C ATOM 529 O PRO A 68 1.117 2.124 10.243 1.00 0.00 O ATOM 530 CB PRO A 68 1.506 4.807 10.963 1.00 0.00 C ATOM 531 CG PRO A 68 0.320 4.800 11.938 1.00 0.00 C ATOM 532 CD PRO A 68 -0.838 5.346 11.094 1.00 0.00 C ATOM 0 HA PRO A 68 1.228 5.008 8.784 1.00 0.00 H new ATOM 0 HB2 PRO A 68 2.273 4.089 11.254 1.00 0.00 H new ATOM 0 HB3 PRO A 68 1.986 5.785 10.918 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.110 3.796 12.307 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.512 5.426 12.809 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.804 5.069 11.517 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -0.814 6.434 11.042 1.00 0.00 H new ATOM 533 N CYS A 69 1.613 2.619 7.974 1.00 0.00 N ATOM 534 CA CYS A 69 1.909 1.245 7.558 1.00 0.00 C ATOM 535 C CYS A 69 3.384 1.117 7.229 1.00 0.00 C ATOM 536 O CYS A 69 3.898 1.521 6.177 1.00 0.00 O ATOM 537 CB CYS A 69 0.941 0.885 6.418 1.00 0.00 C ATOM 538 SG CYS A 69 0.576 -0.870 6.250 1.00 0.00 S ATOM 0 H CYS A 69 1.727 3.304 7.227 1.00 0.00 H new ATOM 0 HA CYS A 69 1.743 0.517 8.352 1.00 0.00 H new ATOM 0 HB2 CYS A 69 0.005 1.421 6.574 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.361 1.244 5.479 1.00 0.00 H new ATOM 0 HG CYS A 69 -0.249 -1.049 5.261 1.00 0.00 H new ATOM 539 N LYS A 70 4.213 0.499 8.309 1.00 0.00 N ATOM 540 CA LYS A 70 5.655 0.313 8.203 1.00 0.00 C ATOM 541 C LYS A 70 5.965 -1.041 7.603 1.00 0.00 C ATOM 542 O LYS A 70 6.118 -1.168 6.372 1.00 0.00 O ATOM 543 CB LYS A 70 6.325 0.479 9.593 1.00 0.00 C ATOM 544 CG LYS A 70 5.464 -0.037 10.772 1.00 0.00 C ATOM 545 CD LYS A 70 4.689 1.046 11.528 1.00 0.00 C ATOM 546 CE LYS A 70 4.724 0.736 13.031 1.00 0.00 C ATOM 547 NZ LYS A 70 3.754 -0.331 13.334 1.00 0.00 N ATOM 0 H LYS A 70 3.822 0.167 9.191 1.00 0.00 H new ATOM 0 HA LYS A 70 6.063 1.077 7.541 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.277 -0.052 9.592 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.548 1.534 9.754 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.755 -0.771 10.390 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.113 -0.557 11.476 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.128 2.025 11.336 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.658 1.085 11.176 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.726 0.426 13.326 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.486 1.632 13.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.777 -0.542 14.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.799 -0.018 13.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.001 -1.187 12.797 1.00 0.00 H new ATOM 548 N ARG A 71 6.049 -2.197 8.519 1.00 0.00 N ATOM 549 CA ARG A 71 6.132 -3.571 7.988 1.00 0.00 C ATOM 550 C ARG A 71 4.893 -3.805 7.143 1.00 0.00 C ATOM 551 O ARG A 71 4.934 -3.854 5.909 1.00 0.00 O ATOM 552 CB ARG A 71 6.238 -4.560 9.171 1.00 0.00 C ATOM 553 CG ARG A 71 7.022 -5.870 8.884 1.00 0.00 C ATOM 554 CD ARG A 71 7.587 -6.507 10.160 1.00 0.00 C ATOM 555 NE ARG A 71 6.488 -7.224 10.855 1.00 0.00 N ATOM 556 CZ ARG A 71 6.629 -8.313 11.601 1.00 0.00 C ATOM 557 NH1 ARG A 71 7.763 -8.908 11.822 1.00 0.00 N ATOM 558 NH2 ARG A 71 5.570 -8.805 12.137 1.00 0.00 N ATOM 0 H ARG A 71 6.055 -2.128 9.537 1.00 0.00 H new ATOM 0 HA ARG A 71 7.013 -3.721 7.365 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.715 -4.048 10.007 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.230 -4.824 9.492 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.364 -6.582 8.387 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.839 -5.657 8.195 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.393 -7.198 9.914 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.010 -5.741 10.810 1.00 0.00 H new ATOM 0 HE ARG A 71 5.546 -6.848 10.750 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.621 -8.540 11.410 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.795 -9.743 12.407 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.666 -8.359 11.982 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.634 -9.641 12.718 1.00 0.00 H new ATOM 559 N CYS A 72 3.629 -3.932 7.902 1.00 0.00 N ATOM 560 CA CYS A 72 2.316 -3.926 7.278 1.00 0.00 C ATOM 561 C CYS A 72 1.223 -4.103 8.314 1.00 0.00 C ATOM 562 O CYS A 72 0.480 -5.094 8.320 1.00 0.00 O ATOM 563 CB CYS A 72 2.256 -4.959 6.136 1.00 0.00 C ATOM 564 SG CYS A 72 2.190 -4.129 4.530 1.00 0.00 S ATOM 0 H CYS A 72 3.598 -4.032 8.917 1.00 0.00 H new ATOM 0 HA CYS A 72 2.139 -2.952 6.821 1.00 0.00 H new ATOM 0 HB2 CYS A 72 3.130 -5.609 6.180 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.379 -5.595 6.259 1.00 0.00 H new ATOM 0 HG CYS A 72 1.081 -3.457 4.434 1.00 0.00 H new