USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 390 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 35 ASN : amide:sc= -0.0802 K(o=-0.49,f=0.021) USER MOD Set 1.2: A 36 SER OG : rot 180:sc= -0.413 USER MOD Single : A 13 TYR OH : rot -152:sc= -1.13! USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -155:sc= -0.303 (180deg=-1.36!) USER MOD Single : A 19 SER OG : rot 180:sc= -0.76 USER MOD Single : A 24 THR OG1 : rot 170:sc= 0.164 USER MOD Single : A 25 MET CE :methyl -109:sc= -7.74! (180deg=-11.5!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -2.95 K(o=-3,f=-11!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc=-0.00885 X(o=-0.0088,f=-0.34) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.14 USER MOD Single : A 59 LYS NZ :NH3+ 156:sc= -0.11 (180deg=-1.02) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 -1.362 11.997 -5.239 1.00 0.00 N ATOM 2 CA GLU A 7 -2.168 12.049 -4.021 1.00 0.00 C ATOM 3 C GLU A 7 -2.661 10.660 -3.617 1.00 0.00 C ATOM 4 O GLU A 7 -3.810 10.492 -3.210 1.00 0.00 O ATOM 5 CB GLU A 7 -3.360 12.992 -4.211 1.00 0.00 C ATOM 6 CG GLU A 7 -4.373 12.502 -5.233 1.00 0.00 C ATOM 7 CD GLU A 7 -5.739 13.132 -5.050 1.00 0.00 C ATOM 8 OE1 GLU A 7 -5.843 14.371 -5.174 1.00 0.00 O ATOM 9 OE2 GLU A 7 -6.705 12.387 -4.781 1.00 0.00 O ATOM 0 HA GLU A 7 -1.533 12.429 -3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.861 13.127 -3.252 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.992 13.971 -4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.007 12.722 -6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.464 11.418 -5.158 1.00 0.00 H new ATOM 14 N LEU A 8 -1.783 9.669 -3.733 1.00 0.00 N ATOM 15 CA LEU A 8 -2.130 8.297 -3.380 1.00 0.00 C ATOM 16 C LEU A 8 -0.875 7.466 -3.126 1.00 0.00 C ATOM 17 O LEU A 8 0.241 7.986 -3.143 1.00 0.00 O ATOM 18 CB LEU A 8 -2.965 7.659 -4.493 1.00 0.00 C ATOM 19 CG LEU A 8 -4.479 7.759 -4.303 1.00 0.00 C ATOM 20 CD1 LEU A 8 -5.207 7.042 -5.431 1.00 0.00 C ATOM 21 CD2 LEU A 8 -4.885 7.186 -2.952 1.00 0.00 C ATOM 0 H LEU A 8 -0.827 9.790 -4.068 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.718 8.320 -2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.701 8.130 -5.440 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.693 6.607 -4.573 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.762 8.811 -4.328 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.283 7.124 -5.279 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.939 7.498 -6.384 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.920 5.990 -5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.966 7.265 -2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.590 6.138 -2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.391 7.744 -2.157 1.00 0.00 H new ATOM 32 N VAL A 9 -1.066 6.169 -2.890 1.00 0.00 N ATOM 33 CA VAL A 9 0.050 5.263 -2.630 1.00 0.00 C ATOM 34 C VAL A 9 -0.228 3.872 -3.194 1.00 0.00 C ATOM 35 O VAL A 9 -0.626 2.964 -2.462 1.00 0.00 O ATOM 36 CB VAL A 9 0.339 5.142 -1.121 1.00 0.00 C ATOM 37 CG1 VAL A 9 1.671 4.446 -0.887 1.00 0.00 C ATOM 38 CG2 VAL A 9 0.321 6.511 -0.459 1.00 0.00 C ATOM 0 H VAL A 9 -1.983 5.723 -2.874 1.00 0.00 H new ATOM 0 HA VAL A 9 0.922 5.688 -3.126 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.446 4.537 -0.668 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.858 4.370 0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.641 3.447 -1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.470 5.022 -1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.527 6.403 0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.082 7.145 -0.914 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.659 6.968 -0.594 1.00 0.00 H new ATOM 48 N LEU A 10 -0.012 3.708 -4.496 1.00 0.00 N ATOM 49 CA LEU A 10 -0.241 2.424 -5.148 1.00 0.00 C ATOM 50 C LEU A 10 0.673 1.349 -4.569 1.00 0.00 C ATOM 51 O LEU A 10 1.431 1.604 -3.634 1.00 0.00 O ATOM 52 CB LEU A 10 -0.027 2.543 -6.661 1.00 0.00 C ATOM 53 CG LEU A 10 1.253 3.272 -7.084 1.00 0.00 C ATOM 54 CD1 LEU A 10 2.273 2.286 -7.629 1.00 0.00 C ATOM 55 CD2 LEU A 10 0.941 4.342 -8.121 1.00 0.00 C ATOM 0 H LEU A 10 0.320 4.445 -5.118 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.275 2.132 -4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.014 1.541 -7.090 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.882 3.063 -7.093 1.00 0.00 H new ATOM 0 HG LEU A 10 1.678 3.757 -6.205 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.175 2.822 -7.924 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.520 1.555 -6.859 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.856 1.773 -8.495 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.862 4.849 -8.409 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.492 3.878 -8.999 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.245 5.067 -7.698 1.00 0.00 H new ATOM 66 N ALA A 11 0.592 0.144 -5.129 1.00 0.00 N ATOM 67 CA ALA A 11 1.411 -0.974 -4.664 1.00 0.00 C ATOM 68 C ALA A 11 2.763 -0.998 -5.365 1.00 0.00 C ATOM 69 O ALA A 11 3.749 -1.489 -4.816 1.00 0.00 O ATOM 70 CB ALA A 11 0.678 -2.288 -4.881 1.00 0.00 C ATOM 0 H ALA A 11 -0.031 -0.083 -5.904 1.00 0.00 H new ATOM 0 HA ALA A 11 1.590 -0.840 -3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.298 -3.113 -4.531 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.260 -2.278 -4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.469 -2.417 -5.943 1.00 0.00 H new ATOM 76 N LEU A 12 2.805 -0.465 -6.587 1.00 0.00 N ATOM 77 CA LEU A 12 4.040 -0.423 -7.372 1.00 0.00 C ATOM 78 C LEU A 12 4.371 -1.801 -7.935 1.00 0.00 C ATOM 79 O LEU A 12 4.402 -1.994 -9.150 1.00 0.00 O ATOM 80 CB LEU A 12 5.202 0.090 -6.514 1.00 0.00 C ATOM 81 CG LEU A 12 6.116 1.109 -7.195 1.00 0.00 C ATOM 82 CD1 LEU A 12 5.312 2.284 -7.730 1.00 0.00 C ATOM 83 CD2 LEU A 12 7.179 1.596 -6.223 1.00 0.00 C ATOM 0 H LEU A 12 1.997 -0.056 -7.055 1.00 0.00 H new ATOM 0 HA LEU A 12 3.889 0.263 -8.206 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.793 0.541 -5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.805 -0.762 -6.201 1.00 0.00 H new ATOM 0 HG LEU A 12 6.607 0.620 -8.036 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.983 2.996 -8.210 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.583 1.925 -8.457 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.792 2.774 -6.907 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.823 2.321 -6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.699 2.066 -5.365 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.778 0.750 -5.885 1.00 0.00 H new ATOM 94 N TYR A 13 4.617 -2.757 -7.044 1.00 0.00 N ATOM 95 CA TYR A 13 4.944 -4.119 -7.454 1.00 0.00 C ATOM 96 C TYR A 13 4.194 -5.136 -6.602 1.00 0.00 C ATOM 97 O TYR A 13 4.709 -6.215 -6.310 1.00 0.00 O ATOM 98 CB TYR A 13 6.453 -4.364 -7.356 1.00 0.00 C ATOM 99 CG TYR A 13 7.116 -3.651 -6.197 1.00 0.00 C ATOM 100 CD1 TYR A 13 6.518 -3.611 -4.945 1.00 0.00 C ATOM 101 CD2 TYR A 13 8.342 -3.018 -6.359 1.00 0.00 C ATOM 102 CE1 TYR A 13 7.122 -2.960 -3.885 1.00 0.00 C ATOM 103 CE2 TYR A 13 8.952 -2.365 -5.305 1.00 0.00 C ATOM 104 CZ TYR A 13 8.339 -2.338 -4.071 1.00 0.00 C ATOM 105 OH TYR A 13 8.944 -1.690 -3.020 1.00 0.00 O ATOM 0 H TYR A 13 4.596 -2.614 -6.034 1.00 0.00 H new ATOM 0 HA TYR A 13 4.635 -4.241 -8.492 1.00 0.00 H new ATOM 0 HB2 TYR A 13 6.632 -5.435 -7.261 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.924 -4.043 -8.285 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.565 -4.097 -4.796 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.826 -3.037 -7.324 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.644 -2.939 -2.917 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.905 -1.878 -5.448 1.00 0.00 H new ATOM 0 HH TYR A 13 9.508 -0.966 -3.363 1.00 0.00 H new ATOM 114 N ASP A 14 2.973 -4.779 -6.207 1.00 0.00 N ATOM 115 CA ASP A 14 2.133 -5.651 -5.386 1.00 0.00 C ATOM 116 C ASP A 14 2.911 -6.237 -4.209 1.00 0.00 C ATOM 117 O ASP A 14 4.065 -5.880 -3.973 1.00 0.00 O ATOM 118 CB ASP A 14 1.532 -6.776 -6.237 1.00 0.00 C ATOM 119 CG ASP A 14 2.571 -7.778 -6.704 1.00 0.00 C ATOM 120 OD1 ASP A 14 3.124 -8.501 -5.848 1.00 0.00 O ATOM 121 OD2 ASP A 14 2.830 -7.841 -7.923 1.00 0.00 O ATOM 0 H ASP A 14 2.541 -3.886 -6.444 1.00 0.00 H new ATOM 0 HA ASP A 14 1.325 -5.042 -4.982 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.768 -7.295 -5.658 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.035 -6.343 -7.105 1.00 0.00 H new ATOM 125 N TYR A 15 2.264 -7.135 -3.468 1.00 0.00 N ATOM 126 CA TYR A 15 2.889 -7.772 -2.311 1.00 0.00 C ATOM 127 C TYR A 15 2.966 -9.289 -2.488 1.00 0.00 C ATOM 128 O TYR A 15 3.839 -9.944 -1.918 1.00 0.00 O ATOM 129 CB TYR A 15 2.111 -7.432 -1.034 1.00 0.00 C ATOM 130 CG TYR A 15 2.514 -8.264 0.166 1.00 0.00 C ATOM 131 CD1 TYR A 15 3.850 -8.535 0.428 1.00 0.00 C ATOM 132 CD2 TYR A 15 1.557 -8.780 1.030 1.00 0.00 C ATOM 133 CE1 TYR A 15 4.222 -9.298 1.519 1.00 0.00 C ATOM 134 CE2 TYR A 15 1.921 -9.542 2.123 1.00 0.00 C ATOM 135 CZ TYR A 15 3.255 -9.799 2.362 1.00 0.00 C ATOM 136 OH TYR A 15 3.620 -10.560 3.449 1.00 0.00 O ATOM 0 H TYR A 15 1.307 -7.438 -3.649 1.00 0.00 H new ATOM 0 HA TYR A 15 3.905 -7.388 -2.225 1.00 0.00 H new ATOM 0 HB2 TYR A 15 2.258 -6.378 -0.800 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.046 -7.571 -1.220 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.611 -8.144 -0.231 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.512 -8.582 0.844 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.266 -9.500 1.709 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.165 -9.935 2.787 1.00 0.00 H new ATOM 0 HH TYR A 15 2.818 -10.834 3.941 1.00 0.00 H new ATOM 145 N GLN A 16 2.046 -9.842 -3.275 1.00 0.00 N ATOM 146 CA GLN A 16 2.012 -11.282 -3.518 1.00 0.00 C ATOM 147 C GLN A 16 1.704 -12.040 -2.231 1.00 0.00 C ATOM 148 O GLN A 16 2.443 -11.949 -1.250 1.00 0.00 O ATOM 149 CB GLN A 16 3.345 -11.759 -4.103 1.00 0.00 C ATOM 150 CG GLN A 16 3.415 -13.263 -4.313 1.00 0.00 C ATOM 151 CD GLN A 16 4.471 -13.660 -5.326 1.00 0.00 C ATOM 152 OE1 GLN A 16 4.245 -14.531 -6.166 1.00 0.00 O ATOM 153 NE2 GLN A 16 5.634 -13.021 -5.251 1.00 0.00 N ATOM 0 H GLN A 16 1.315 -9.316 -3.754 1.00 0.00 H new ATOM 0 HA GLN A 16 1.219 -11.485 -4.238 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.513 -11.259 -5.057 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.153 -11.456 -3.438 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.628 -13.750 -3.361 1.00 0.00 H new ATOM 0 HG3 GLN A 16 2.442 -13.626 -4.646 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.778 -12.306 -4.538 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.383 -13.246 -5.906 1.00 0.00 H new ATOM 160 N GLU A 17 0.606 -12.790 -2.239 1.00 0.00 N ATOM 161 CA GLU A 17 0.198 -13.565 -1.073 1.00 0.00 C ATOM 162 C GLU A 17 0.166 -15.056 -1.391 1.00 0.00 C ATOM 163 O GLU A 17 -0.346 -15.467 -2.432 1.00 0.00 O ATOM 164 CB GLU A 17 -1.180 -13.108 -0.587 1.00 0.00 C ATOM 165 CG GLU A 17 -2.297 -13.388 -1.580 1.00 0.00 C ATOM 166 CD GLU A 17 -3.643 -12.871 -1.109 1.00 0.00 C ATOM 167 OE1 GLU A 17 -3.671 -12.088 -0.137 1.00 0.00 O ATOM 168 OE2 GLU A 17 -4.669 -13.250 -1.712 1.00 0.00 O ATOM 0 H GLU A 17 -0.018 -12.877 -3.041 1.00 0.00 H new ATOM 0 HA GLU A 17 0.931 -13.396 -0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.408 -13.607 0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.147 -12.038 -0.381 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.050 -12.928 -2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.365 -14.462 -1.751 1.00 0.00 H new ATOM 173 N LYS A 18 0.711 -15.861 -0.485 1.00 0.00 N ATOM 174 CA LYS A 18 0.739 -17.306 -0.668 1.00 0.00 C ATOM 175 C LYS A 18 -0.585 -17.928 -0.236 1.00 0.00 C ATOM 176 O LYS A 18 -1.119 -17.597 0.823 1.00 0.00 O ATOM 177 CB LYS A 18 1.891 -17.922 0.130 1.00 0.00 C ATOM 178 CG LYS A 18 2.040 -19.420 -0.075 1.00 0.00 C ATOM 179 CD LYS A 18 3.114 -19.737 -1.102 1.00 0.00 C ATOM 180 CE LYS A 18 3.666 -21.142 -0.918 1.00 0.00 C ATOM 181 NZ LYS A 18 4.060 -21.402 0.495 1.00 0.00 N ATOM 0 H LYS A 18 1.139 -15.537 0.382 1.00 0.00 H new ATOM 0 HA LYS A 18 0.892 -17.513 -1.727 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.822 -17.431 -0.153 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.735 -17.723 1.190 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.291 -19.895 0.874 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.088 -19.840 -0.400 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.700 -19.636 -2.105 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.924 -19.013 -1.017 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.916 -21.870 -1.226 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.530 -21.281 -1.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.787 -22.145 0.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.441 -20.530 0.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.228 -21.712 1.036 1.00 0.00 H new ATOM 191 N SER A 19 -1.112 -18.826 -1.060 1.00 0.00 N ATOM 192 CA SER A 19 -2.377 -19.488 -0.759 1.00 0.00 C ATOM 193 C SER A 19 -3.513 -18.468 -0.692 1.00 0.00 C ATOM 194 O SER A 19 -3.270 -17.264 -0.617 1.00 0.00 O ATOM 195 CB SER A 19 -2.276 -20.252 0.565 1.00 0.00 C ATOM 196 OG SER A 19 -0.932 -20.343 1.004 1.00 0.00 O ATOM 0 H SER A 19 -0.684 -19.113 -1.941 1.00 0.00 H new ATOM 0 HA SER A 19 -2.593 -20.197 -1.558 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.876 -19.750 1.324 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.690 -21.253 0.443 1.00 0.00 H new ATOM 0 HG SER A 19 -0.897 -20.834 1.852 1.00 0.00 H new ATOM 201 N PRO A 20 -4.775 -18.937 -0.720 1.00 0.00 N ATOM 202 CA PRO A 20 -5.948 -18.057 -0.661 1.00 0.00 C ATOM 203 C PRO A 20 -5.923 -17.136 0.556 1.00 0.00 C ATOM 204 O PRO A 20 -6.568 -16.089 0.565 1.00 0.00 O ATOM 205 CB PRO A 20 -7.137 -19.027 -0.578 1.00 0.00 C ATOM 206 CG PRO A 20 -6.546 -20.353 -0.230 1.00 0.00 C ATOM 207 CD PRO A 20 -5.162 -20.353 -0.807 1.00 0.00 C ATOM 0 HA PRO A 20 -5.993 -17.391 -1.522 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.853 -18.706 0.178 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -7.673 -19.073 -1.526 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.518 -20.496 0.850 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.142 -21.166 -0.644 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.487 -20.993 -0.239 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.152 -20.713 -1.836 1.00 0.00 H new ATOM 212 N ARG A 21 -5.173 -17.532 1.579 1.00 0.00 N ATOM 213 CA ARG A 21 -5.064 -16.739 2.799 1.00 0.00 C ATOM 214 C ARG A 21 -4.108 -15.567 2.600 1.00 0.00 C ATOM 215 O ARG A 21 -3.712 -15.258 1.476 1.00 0.00 O ATOM 216 CB ARG A 21 -4.592 -17.617 3.961 1.00 0.00 C ATOM 217 CG ARG A 21 -5.653 -17.839 5.027 1.00 0.00 C ATOM 218 CD ARG A 21 -5.346 -17.058 6.296 1.00 0.00 C ATOM 219 NE ARG A 21 -6.486 -16.256 6.736 1.00 0.00 N ATOM 220 CZ ARG A 21 -7.640 -16.773 7.148 1.00 0.00 C ATOM 221 NH1 ARG A 21 -7.813 -18.090 7.180 1.00 0.00 N ATOM 222 NH2 ARG A 21 -8.626 -15.973 7.530 1.00 0.00 N ATOM 0 H ARG A 21 -4.632 -18.397 1.588 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.050 -16.339 3.037 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -4.275 -18.583 3.569 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.718 -17.157 4.421 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.626 -17.537 4.640 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.718 -18.902 5.260 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.063 -17.751 7.088 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.490 -16.406 6.122 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.391 -15.240 6.727 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.058 -18.711 6.888 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.700 -18.480 7.497 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.499 -14.961 7.508 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.511 -16.369 7.846 1.00 0.00 H new ATOM 233 N GLU A 22 -3.738 -14.916 3.700 1.00 0.00 N ATOM 234 CA GLU A 22 -2.827 -13.778 3.647 1.00 0.00 C ATOM 235 C GLU A 22 -3.431 -12.632 2.841 1.00 0.00 C ATOM 236 O GLU A 22 -4.562 -12.724 2.363 1.00 0.00 O ATOM 237 CB GLU A 22 -1.486 -14.195 3.040 1.00 0.00 C ATOM 238 CG GLU A 22 -0.740 -15.229 3.865 1.00 0.00 C ATOM 239 CD GLU A 22 -0.528 -14.788 5.300 1.00 0.00 C ATOM 240 OE1 GLU A 22 -1.511 -14.780 6.069 1.00 0.00 O ATOM 241 OE2 GLU A 22 0.622 -14.448 5.653 1.00 0.00 O ATOM 0 H GLU A 22 -4.056 -15.158 4.639 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.662 -13.432 4.667 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.658 -14.595 2.041 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.858 -13.311 2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.296 -16.166 3.855 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.227 -15.428 3.403 1.00 0.00 H new ATOM 246 N VAL A 23 -2.669 -11.552 2.696 1.00 0.00 N ATOM 247 CA VAL A 23 -3.129 -10.386 1.948 1.00 0.00 C ATOM 248 C VAL A 23 -2.150 -10.023 0.836 1.00 0.00 C ATOM 249 O VAL A 23 -0.949 -10.269 0.948 1.00 0.00 O ATOM 250 CB VAL A 23 -3.315 -9.166 2.869 1.00 0.00 C ATOM 251 CG1 VAL A 23 -4.012 -8.037 2.124 1.00 0.00 C ATOM 252 CG2 VAL A 23 -4.094 -9.551 4.117 1.00 0.00 C ATOM 0 H VAL A 23 -1.731 -11.460 3.086 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.091 -10.652 1.509 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.331 -8.814 3.178 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.135 -7.183 2.790 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.410 -7.743 1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.991 -8.375 1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.215 -8.676 4.755 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.075 -9.930 3.831 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.551 -10.324 4.661 1.00 0.00 H new ATOM 262 N THR A 24 -2.673 -9.437 -0.240 1.00 0.00 N ATOM 263 CA THR A 24 -1.848 -9.036 -1.376 1.00 0.00 C ATOM 264 C THR A 24 -2.311 -7.696 -1.938 1.00 0.00 C ATOM 265 O THR A 24 -3.124 -7.002 -1.327 1.00 0.00 O ATOM 266 CB THR A 24 -1.896 -10.105 -2.470 1.00 0.00 C ATOM 267 OG1 THR A 24 -1.025 -9.771 -3.536 1.00 0.00 O ATOM 268 CG2 THR A 24 -3.280 -10.305 -3.052 1.00 0.00 C ATOM 0 H THR A 24 -3.666 -9.230 -0.348 1.00 0.00 H new ATOM 0 HA THR A 24 -0.821 -8.928 -1.027 1.00 0.00 H new ATOM 0 HB THR A 24 -1.588 -11.030 -1.983 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.946 -10.535 -4.145 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.243 -11.076 -3.822 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.966 -10.613 -2.263 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.629 -9.370 -3.491 1.00 0.00 H new ATOM 276 N MET A 25 -1.786 -7.337 -3.106 1.00 0.00 N ATOM 277 CA MET A 25 -2.146 -6.080 -3.751 1.00 0.00 C ATOM 278 C MET A 25 -1.659 -6.050 -5.197 1.00 0.00 C ATOM 279 O MET A 25 -0.837 -5.214 -5.570 1.00 0.00 O ATOM 280 CB MET A 25 -1.559 -4.897 -2.975 1.00 0.00 C ATOM 281 CG MET A 25 -0.135 -5.127 -2.494 1.00 0.00 C ATOM 282 SD MET A 25 0.679 -3.604 -1.980 1.00 0.00 S ATOM 283 CE MET A 25 -0.386 -3.089 -0.634 1.00 0.00 C ATOM 0 H MET A 25 -1.110 -7.899 -3.624 1.00 0.00 H new ATOM 0 HA MET A 25 -3.233 -6.000 -3.753 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.580 -4.011 -3.610 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.194 -4.687 -2.114 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.146 -5.828 -1.659 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.443 -5.592 -3.292 1.00 0.00 H new ATOM 0 HE1 MET A 25 -0.957 -2.212 -0.937 1.00 0.00 H new ATOM 0 HE2 MET A 25 -1.071 -3.899 -0.382 1.00 0.00 H new ATOM 0 HE3 MET A 25 0.221 -2.843 0.237 1.00 0.00 H new ATOM 291 N LYS A 26 -2.173 -6.971 -6.006 1.00 0.00 N ATOM 292 CA LYS A 26 -1.792 -7.052 -7.411 1.00 0.00 C ATOM 293 C LYS A 26 -2.167 -5.771 -8.151 1.00 0.00 C ATOM 294 O LYS A 26 -2.932 -4.952 -7.643 1.00 0.00 O ATOM 295 CB LYS A 26 -2.463 -8.255 -8.075 1.00 0.00 C ATOM 296 CG LYS A 26 -2.100 -9.585 -7.436 1.00 0.00 C ATOM 297 CD LYS A 26 -0.795 -10.133 -7.992 1.00 0.00 C ATOM 298 CE LYS A 26 -0.031 -10.923 -6.944 1.00 0.00 C ATOM 299 NZ LYS A 26 0.653 -12.108 -7.531 1.00 0.00 N ATOM 0 H LYS A 26 -2.854 -7.671 -5.713 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.710 -7.176 -7.462 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.544 -8.125 -8.034 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.184 -8.280 -9.129 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.013 -9.459 -6.357 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.901 -10.304 -7.609 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.004 -10.772 -8.850 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.177 -9.310 -8.351 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.707 -10.277 -6.469 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.718 -11.250 -6.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.163 -12.620 -6.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.053 -12.738 -7.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.328 -11.795 -8.258 1.00 0.00 H new ATOM 309 N LYS A 27 -1.625 -5.607 -9.353 1.00 0.00 N ATOM 310 CA LYS A 27 -1.905 -4.427 -10.162 1.00 0.00 C ATOM 311 C LYS A 27 -1.464 -3.158 -9.441 1.00 0.00 C ATOM 312 O LYS A 27 -0.783 -3.217 -8.418 1.00 0.00 O ATOM 313 CB LYS A 27 -3.397 -4.351 -10.491 1.00 0.00 C ATOM 314 CG LYS A 27 -3.684 -3.904 -11.915 1.00 0.00 C ATOM 315 CD LYS A 27 -4.929 -4.577 -12.470 1.00 0.00 C ATOM 316 CE LYS A 27 -6.193 -4.032 -11.821 1.00 0.00 C ATOM 317 NZ LYS A 27 -7.400 -4.290 -12.652 1.00 0.00 N ATOM 0 H LYS A 27 -0.990 -6.276 -9.788 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.340 -4.510 -11.091 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.847 -5.331 -10.329 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.879 -3.661 -9.798 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.813 -2.822 -11.939 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.829 -4.137 -12.550 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.977 -4.424 -13.548 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.868 -5.652 -12.303 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.323 -4.489 -10.840 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.085 -2.959 -11.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.239 -3.903 -12.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.287 -3.833 -13.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.518 -5.315 -12.784 1.00 0.00 H new ATOM 327 N GLY A 28 -1.858 -2.008 -9.981 1.00 0.00 N ATOM 328 CA GLY A 28 -1.496 -0.741 -9.376 1.00 0.00 C ATOM 329 C GLY A 28 -2.580 -0.201 -8.466 1.00 0.00 C ATOM 330 O GLY A 28 -2.796 1.010 -8.396 1.00 0.00 O ATOM 0 H GLY A 28 -2.422 -1.932 -10.828 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.576 -0.865 -8.805 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.289 -0.013 -10.161 1.00 0.00 H new ATOM 334 N ASP A 29 -3.267 -1.100 -7.768 1.00 0.00 N ATOM 335 CA ASP A 29 -4.337 -0.706 -6.857 1.00 0.00 C ATOM 336 C ASP A 29 -3.819 0.259 -5.794 1.00 0.00 C ATOM 337 O ASP A 29 -2.616 0.497 -5.694 1.00 0.00 O ATOM 338 CB ASP A 29 -4.946 -1.940 -6.188 1.00 0.00 C ATOM 339 CG ASP A 29 -3.893 -2.849 -5.583 1.00 0.00 C ATOM 340 OD1 ASP A 29 -2.865 -2.328 -5.101 1.00 0.00 O ATOM 341 OD2 ASP A 29 -4.097 -4.082 -5.591 1.00 0.00 O ATOM 0 H ASP A 29 -3.102 -2.105 -7.815 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.107 -0.199 -7.439 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.639 -1.623 -5.409 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.526 -2.499 -6.922 1.00 0.00 H new ATOM 345 N ILE A 30 -4.734 0.813 -5.006 1.00 0.00 N ATOM 346 CA ILE A 30 -4.366 1.754 -3.954 1.00 0.00 C ATOM 347 C ILE A 30 -4.863 1.275 -2.593 1.00 0.00 C ATOM 348 O ILE A 30 -5.358 0.155 -2.462 1.00 0.00 O ATOM 349 CB ILE A 30 -4.920 3.172 -4.224 1.00 0.00 C ATOM 350 CG1 ILE A 30 -5.309 3.334 -5.697 1.00 0.00 C ATOM 351 CG2 ILE A 30 -3.894 4.224 -3.827 1.00 0.00 C ATOM 352 CD1 ILE A 30 -4.137 3.226 -6.648 1.00 0.00 C ATOM 0 H ILE A 30 -5.735 0.627 -5.075 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.277 1.803 -3.949 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.816 3.310 -3.619 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.047 2.574 -5.955 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.789 4.303 -5.833 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.297 5.218 -4.023 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.666 4.127 -2.766 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.983 4.081 -4.408 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.487 3.351 -7.673 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.408 4.003 -6.417 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.670 2.247 -6.541 1.00 0.00 H new ATOM 363 N LEU A 31 -4.724 2.128 -1.583 1.00 0.00 N ATOM 364 CA LEU A 31 -5.156 1.789 -0.232 1.00 0.00 C ATOM 365 C LEU A 31 -5.596 3.038 0.526 1.00 0.00 C ATOM 366 O LEU A 31 -5.614 4.138 -0.028 1.00 0.00 O ATOM 367 CB LEU A 31 -4.030 1.081 0.531 1.00 0.00 C ATOM 368 CG LEU A 31 -2.605 1.496 0.147 1.00 0.00 C ATOM 369 CD1 LEU A 31 -2.230 0.933 -1.216 1.00 0.00 C ATOM 370 CD2 LEU A 31 -2.465 3.010 0.156 1.00 0.00 C ATOM 0 H LEU A 31 -4.316 3.058 -1.675 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.007 1.113 -0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.167 1.264 1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.130 0.007 0.376 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.920 1.084 0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.215 1.239 -1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.284 -0.155 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.922 1.311 -1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.446 3.283 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.163 3.444 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.685 3.390 1.154 1.00 0.00 H new ATOM 381 N THR A 32 -5.955 2.861 1.796 1.00 0.00 N ATOM 382 CA THR A 32 -6.398 3.973 2.633 1.00 0.00 C ATOM 383 C THR A 32 -5.307 4.389 3.615 1.00 0.00 C ATOM 384 O THR A 32 -5.012 5.576 3.763 1.00 0.00 O ATOM 385 CB THR A 32 -7.662 3.585 3.401 1.00 0.00 C ATOM 386 OG1 THR A 32 -8.200 4.705 4.081 1.00 0.00 O ATOM 387 CG2 THR A 32 -7.428 2.495 4.423 1.00 0.00 C ATOM 0 H THR A 32 -5.948 1.957 2.268 1.00 0.00 H new ATOM 0 HA THR A 32 -6.616 4.818 1.981 1.00 0.00 H new ATOM 0 HB THR A 32 -8.356 3.212 2.647 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.009 4.436 4.565 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.364 2.267 4.932 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.060 1.600 3.922 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.691 2.832 5.152 1.00 0.00 H new ATOM 395 N LEU A 33 -4.711 3.406 4.281 1.00 0.00 N ATOM 396 CA LEU A 33 -3.650 3.668 5.249 1.00 0.00 C ATOM 397 C LEU A 33 -4.194 4.426 6.457 1.00 0.00 C ATOM 398 O LEU A 33 -5.178 5.157 6.350 1.00 0.00 O ATOM 399 CB LEU A 33 -2.517 4.465 4.600 1.00 0.00 C ATOM 400 CG LEU A 33 -2.303 4.193 3.107 1.00 0.00 C ATOM 401 CD1 LEU A 33 -2.714 5.403 2.278 1.00 0.00 C ATOM 402 CD2 LEU A 33 -0.851 3.824 2.833 1.00 0.00 C ATOM 0 H LEU A 33 -4.944 2.419 4.169 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.258 2.709 5.588 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.718 5.528 4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.590 4.246 5.130 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.931 3.350 2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.555 5.191 1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.768 5.621 2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.114 6.265 2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.719 3.634 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.203 4.645 3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.591 2.928 3.396 1.00 0.00 H new ATOM 413 N LEU A 34 -3.544 4.247 7.602 1.00 0.00 N ATOM 414 CA LEU A 34 -3.961 4.914 8.830 1.00 0.00 C ATOM 415 C LEU A 34 -3.964 6.429 8.652 1.00 0.00 C ATOM 416 O LEU A 34 -5.007 7.076 8.759 1.00 0.00 O ATOM 417 CB LEU A 34 -3.037 4.527 9.986 1.00 0.00 C ATOM 418 CG LEU A 34 -3.573 4.848 11.381 1.00 0.00 C ATOM 419 CD1 LEU A 34 -4.690 3.889 11.758 1.00 0.00 C ATOM 420 CD2 LEU A 34 -2.452 4.795 12.407 1.00 0.00 C ATOM 0 H LEU A 34 -2.727 3.646 7.705 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.976 4.591 9.062 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.837 3.457 9.928 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.083 5.037 9.854 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.980 5.859 11.369 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.059 4.133 12.754 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.504 3.977 11.038 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.310 2.867 11.752 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.851 5.026 13.395 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.015 3.797 12.417 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.685 5.524 12.146 1.00 0.00 H new ATOM 431 N ASN A 35 -2.791 6.990 8.379 1.00 0.00 N ATOM 432 CA ASN A 35 -2.658 8.428 8.183 1.00 0.00 C ATOM 433 C ASN A 35 -1.567 8.738 7.161 1.00 0.00 C ATOM 434 O ASN A 35 -1.857 9.059 6.008 1.00 0.00 O ATOM 435 CB ASN A 35 -2.349 9.119 9.514 1.00 0.00 C ATOM 436 CG ASN A 35 -2.197 10.620 9.369 1.00 0.00 C ATOM 437 OD1 ASN A 35 -3.170 11.333 9.114 1.00 0.00 O ATOM 438 ND2 ASN A 35 -0.974 11.112 9.528 1.00 0.00 N ATOM 0 H ASN A 35 -1.918 6.470 8.288 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.604 8.809 7.800 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.148 8.905 10.224 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.432 8.703 9.931 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.812 12.115 9.440 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.196 10.487 9.738 1.00 0.00 H new ATOM 444 N SER A 36 -0.308 8.638 7.589 1.00 0.00 N ATOM 445 CA SER A 36 0.830 8.906 6.712 1.00 0.00 C ATOM 446 C SER A 36 2.138 8.890 7.496 1.00 0.00 C ATOM 447 O SER A 36 2.276 9.578 8.507 1.00 0.00 O ATOM 448 CB SER A 36 0.662 10.256 6.011 1.00 0.00 C ATOM 449 OG SER A 36 -0.107 11.148 6.799 1.00 0.00 O ATOM 0 H SER A 36 -0.051 8.373 8.540 1.00 0.00 H new ATOM 0 HA SER A 36 0.865 8.117 5.960 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.642 10.692 5.815 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.179 10.110 5.045 1.00 0.00 H new ATOM 0 HG SER A 36 -0.198 12.003 6.330 1.00 0.00 H new ATOM 454 N THR A 37 3.098 8.099 7.022 1.00 0.00 N ATOM 455 CA THR A 37 4.400 7.989 7.675 1.00 0.00 C ATOM 456 C THR A 37 5.297 7.005 6.932 1.00 0.00 C ATOM 457 O THR A 37 4.909 5.865 6.680 1.00 0.00 O ATOM 458 CB THR A 37 4.233 7.545 9.129 1.00 0.00 C ATOM 459 OG1 THR A 37 5.491 7.277 9.719 1.00 0.00 O ATOM 460 CG2 THR A 37 3.381 6.305 9.282 1.00 0.00 C ATOM 0 H THR A 37 2.998 7.523 6.186 1.00 0.00 H new ATOM 0 HA THR A 37 4.871 8.972 7.656 1.00 0.00 H new ATOM 0 HB THR A 37 3.732 8.374 9.628 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.363 6.996 10.649 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.303 6.045 10.338 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.386 6.496 8.881 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.839 5.479 8.738 1.00 0.00 H new ATOM 468 N ASN A 38 6.498 7.453 6.583 1.00 0.00 N ATOM 469 CA ASN A 38 7.449 6.609 5.869 1.00 0.00 C ATOM 470 C ASN A 38 7.781 5.359 6.678 1.00 0.00 C ATOM 471 O ASN A 38 7.204 4.294 6.453 1.00 0.00 O ATOM 472 CB ASN A 38 8.728 7.392 5.558 1.00 0.00 C ATOM 473 CG ASN A 38 8.514 8.455 4.498 1.00 0.00 C ATOM 474 OD1 ASN A 38 8.765 8.227 3.315 1.00 0.00 O ATOM 475 ND2 ASN A 38 8.044 9.624 4.918 1.00 0.00 N ATOM 0 H ASN A 38 6.836 8.395 6.783 1.00 0.00 H new ATOM 0 HA ASN A 38 6.989 6.298 4.931 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.094 7.862 6.471 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.501 6.701 5.224 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.877 10.376 4.250 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.850 9.769 5.909 1.00 0.00 H new ATOM 481 N LYS A 39 8.707 5.492 7.624 1.00 0.00 N ATOM 482 CA LYS A 39 9.111 4.371 8.470 1.00 0.00 C ATOM 483 C LYS A 39 9.372 3.117 7.638 1.00 0.00 C ATOM 484 O LYS A 39 9.472 3.183 6.413 1.00 0.00 O ATOM 485 CB LYS A 39 8.034 4.087 9.520 1.00 0.00 C ATOM 486 CG LYS A 39 8.595 3.760 10.894 1.00 0.00 C ATOM 487 CD LYS A 39 7.713 4.315 12.002 1.00 0.00 C ATOM 488 CE LYS A 39 8.371 4.165 13.365 1.00 0.00 C ATOM 489 NZ LYS A 39 9.154 5.374 13.740 1.00 0.00 N ATOM 0 H LYS A 39 9.193 6.366 7.825 1.00 0.00 H new ATOM 0 HA LYS A 39 10.039 4.646 8.972 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.380 4.955 9.601 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.418 3.254 9.181 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.683 2.679 11.004 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.600 4.173 10.986 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.506 5.368 11.811 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.755 3.796 12.000 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.606 3.980 14.119 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.028 3.295 13.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.586 5.231 14.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.901 5.537 13.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.523 6.200 13.773 1.00 0.00 H new ATOM 499 N ASP A 40 9.477 1.976 8.311 1.00 0.00 N ATOM 500 CA ASP A 40 9.720 0.708 7.632 1.00 0.00 C ATOM 501 C ASP A 40 8.415 -0.040 7.396 1.00 0.00 C ATOM 502 O ASP A 40 8.031 -0.893 8.196 1.00 0.00 O ATOM 503 CB ASP A 40 10.678 -0.157 8.453 1.00 0.00 C ATOM 504 CG ASP A 40 11.629 -0.954 7.581 1.00 0.00 C ATOM 505 OD1 ASP A 40 11.147 -1.687 6.692 1.00 0.00 O ATOM 506 OD2 ASP A 40 12.857 -0.843 7.787 1.00 0.00 O ATOM 0 H ASP A 40 9.398 1.903 9.325 1.00 0.00 H new ATOM 0 HA ASP A 40 10.174 0.922 6.664 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.253 0.480 9.125 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.102 -0.841 9.077 1.00 0.00 H new ATOM 510 N TRP A 41 7.740 0.293 6.291 1.00 0.00 N ATOM 511 CA TRP A 41 6.465 -0.329 5.920 1.00 0.00 C ATOM 512 C TRP A 41 5.297 0.377 6.607 1.00 0.00 C ATOM 513 O TRP A 41 5.497 1.221 7.479 1.00 0.00 O ATOM 514 CB TRP A 41 6.473 -1.846 6.223 1.00 0.00 C ATOM 515 CG TRP A 41 5.363 -2.334 7.121 1.00 0.00 C ATOM 516 CD1 TRP A 41 4.490 -3.347 6.846 1.00 0.00 C ATOM 517 CD2 TRP A 41 5.014 -1.850 8.429 1.00 0.00 C ATOM 518 NE1 TRP A 41 3.621 -3.524 7.894 1.00 0.00 N ATOM 519 CE2 TRP A 41 3.922 -2.618 8.877 1.00 0.00 C ATOM 520 CE3 TRP A 41 5.512 -0.845 9.267 1.00 0.00 C ATOM 521 CZ2 TRP A 41 3.325 -2.415 10.118 1.00 0.00 C ATOM 522 CZ3 TRP A 41 4.917 -0.646 10.498 1.00 0.00 C ATOM 523 CH2 TRP A 41 3.836 -1.427 10.914 1.00 0.00 C ATOM 0 H TRP A 41 8.061 1.000 5.630 1.00 0.00 H new ATOM 0 HA TRP A 41 6.333 -0.216 4.844 1.00 0.00 H new ATOM 0 HB2 TRP A 41 6.418 -2.388 5.279 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.428 -2.102 6.682 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.484 -3.926 5.934 1.00 0.00 H new ATOM 0 HE1 TRP A 41 2.873 -4.217 7.934 1.00 0.00 H new ATOM 0 HE3 TRP A 41 6.348 -0.235 8.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.488 -3.016 10.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 5.294 0.127 11.150 1.00 0.00 H new ATOM 0 HH2 TRP A 41 3.395 -1.247 11.883 1.00 0.00 H new ATOM 533 N TRP A 42 4.080 0.024 6.205 1.00 0.00 N ATOM 534 CA TRP A 42 2.882 0.624 6.780 1.00 0.00 C ATOM 535 C TRP A 42 1.681 -0.304 6.624 1.00 0.00 C ATOM 536 O TRP A 42 1.525 -0.966 5.597 1.00 0.00 O ATOM 537 CB TRP A 42 2.591 1.971 6.116 1.00 0.00 C ATOM 538 CG TRP A 42 1.751 2.883 6.957 1.00 0.00 C ATOM 539 CD1 TRP A 42 0.624 3.546 6.572 1.00 0.00 C ATOM 540 CD2 TRP A 42 1.975 3.232 8.328 1.00 0.00 C ATOM 541 NE1 TRP A 42 0.130 4.288 7.619 1.00 0.00 N ATOM 542 CE2 TRP A 42 0.942 4.112 8.708 1.00 0.00 C ATOM 543 CE3 TRP A 42 2.946 2.887 9.273 1.00 0.00 C ATOM 544 CZ2 TRP A 42 0.854 4.648 9.989 1.00 0.00 C ATOM 545 CZ3 TRP A 42 2.857 3.422 10.545 1.00 0.00 C ATOM 546 CH2 TRP A 42 1.818 4.293 10.893 1.00 0.00 C ATOM 0 H TRP A 42 3.898 -0.674 5.484 1.00 0.00 H new ATOM 0 HA TRP A 42 3.060 0.783 7.844 1.00 0.00 H new ATOM 0 HB2 TRP A 42 3.535 2.466 5.889 1.00 0.00 H new ATOM 0 HB3 TRP A 42 2.085 1.797 5.166 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.183 3.496 5.587 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.705 4.874 7.590 1.00 0.00 H new ATOM 0 HE3 TRP A 42 3.751 2.215 9.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.053 5.320 10.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 3.602 3.163 11.283 1.00 0.00 H new ATOM 0 HH2 TRP A 42 1.776 4.693 11.895 1.00 0.00 H new ATOM 556 N LYS A 43 0.835 -0.349 7.649 1.00 0.00 N ATOM 557 CA LYS A 43 -0.352 -1.198 7.625 1.00 0.00 C ATOM 558 C LYS A 43 -1.251 -0.845 6.445 1.00 0.00 C ATOM 559 O LYS A 43 -1.850 0.230 6.408 1.00 0.00 O ATOM 560 CB LYS A 43 -1.130 -1.058 8.934 1.00 0.00 C ATOM 561 CG LYS A 43 -0.535 -1.854 10.083 1.00 0.00 C ATOM 562 CD LYS A 43 -1.138 -1.444 11.418 1.00 0.00 C ATOM 563 CE LYS A 43 -0.440 -2.129 12.579 1.00 0.00 C ATOM 564 NZ LYS A 43 0.589 -1.252 13.205 1.00 0.00 N ATOM 0 H LYS A 43 0.949 0.192 8.506 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.026 -2.232 7.512 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.168 -0.005 9.214 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.158 -1.382 8.772 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.706 -2.918 9.917 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.544 -1.705 10.109 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.064 -0.363 11.535 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.199 -1.694 11.431 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.178 -2.415 13.329 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.031 -3.048 12.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.042 -1.757 13.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.308 -1.000 12.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.137 -0.387 13.563 1.00 0.00 H new ATOM 574 N VAL A 44 -1.341 -1.757 5.483 1.00 0.00 N ATOM 575 CA VAL A 44 -2.167 -1.544 4.301 1.00 0.00 C ATOM 576 C VAL A 44 -3.511 -2.252 4.435 1.00 0.00 C ATOM 577 O VAL A 44 -3.734 -3.303 3.834 1.00 0.00 O ATOM 578 CB VAL A 44 -1.460 -2.040 3.025 1.00 0.00 C ATOM 579 CG1 VAL A 44 -2.254 -1.650 1.788 1.00 0.00 C ATOM 580 CG2 VAL A 44 -0.043 -1.494 2.954 1.00 0.00 C ATOM 0 H VAL A 44 -0.851 -2.652 5.499 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.333 -0.470 4.220 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.403 -3.128 3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.739 -2.009 0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.247 -2.096 1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.346 -0.565 1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.441 -1.855 2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.073 -0.404 2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.521 -1.831 3.824 1.00 0.00 H new ATOM 590 N GLU A 45 -4.406 -1.668 5.226 1.00 0.00 N ATOM 591 CA GLU A 45 -5.728 -2.245 5.436 1.00 0.00 C ATOM 592 C GLU A 45 -6.543 -2.217 4.148 1.00 0.00 C ATOM 593 O GLU A 45 -6.984 -3.257 3.657 1.00 0.00 O ATOM 594 CB GLU A 45 -6.469 -1.485 6.538 1.00 0.00 C ATOM 595 CG GLU A 45 -7.446 -2.347 7.320 1.00 0.00 C ATOM 596 CD GLU A 45 -8.888 -2.113 6.912 1.00 0.00 C ATOM 597 OE1 GLU A 45 -9.233 -0.956 6.589 1.00 0.00 O ATOM 598 OE2 GLU A 45 -9.672 -3.085 6.918 1.00 0.00 O ATOM 0 H GLU A 45 -4.240 -0.797 5.731 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.600 -3.283 5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.740 -1.060 7.228 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.010 -0.651 6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.197 -3.398 7.172 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.336 -2.140 8.384 1.00 0.00 H new ATOM 603 N VAL A 46 -6.737 -1.022 3.601 1.00 0.00 N ATOM 604 CA VAL A 46 -7.498 -0.858 2.367 1.00 0.00 C ATOM 605 C VAL A 46 -8.974 -1.174 2.588 1.00 0.00 C ATOM 606 O VAL A 46 -9.664 -1.630 1.676 1.00 0.00 O ATOM 607 CB VAL A 46 -6.957 -1.760 1.237 1.00 0.00 C ATOM 608 CG1 VAL A 46 -7.394 -1.233 -0.122 1.00 0.00 C ATOM 609 CG2 VAL A 46 -5.440 -1.867 1.311 1.00 0.00 C ATOM 0 H VAL A 46 -6.378 -0.152 3.993 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.388 0.185 2.069 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.373 -2.759 1.368 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.003 -1.881 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.483 -1.217 -0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.009 -0.223 -0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.081 -2.507 0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.000 -0.875 1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.152 -2.296 2.271 1.00 0.00 H new ATOM 619 N ASN A 47 -9.450 -0.929 3.804 1.00 0.00 N ATOM 620 CA ASN A 47 -10.846 -1.186 4.148 1.00 0.00 C ATOM 621 C ASN A 47 -11.169 -2.673 4.041 1.00 0.00 C ATOM 622 O ASN A 47 -12.276 -3.051 3.657 1.00 0.00 O ATOM 623 CB ASN A 47 -11.774 -0.383 3.236 1.00 0.00 C ATOM 624 CG ASN A 47 -11.367 1.073 3.133 1.00 0.00 C ATOM 625 OD1 ASN A 47 -10.611 1.456 2.240 1.00 0.00 O ATOM 626 ND2 ASN A 47 -11.867 1.894 4.050 1.00 0.00 N ATOM 0 H ASN A 47 -8.890 -0.553 4.569 1.00 0.00 H new ATOM 0 HA ASN A 47 -11.003 -0.873 5.180 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.775 -0.828 2.241 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.794 -0.446 3.614 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.628 2.885 4.032 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -12.490 1.533 4.772 1.00 0.00 H new ATOM 632 N ASP A 48 -10.197 -3.513 4.384 1.00 0.00 N ATOM 633 CA ASP A 48 -10.381 -4.960 4.329 1.00 0.00 C ATOM 634 C ASP A 48 -9.121 -5.687 4.789 1.00 0.00 C ATOM 635 O ASP A 48 -8.057 -5.085 4.919 1.00 0.00 O ATOM 636 CB ASP A 48 -10.742 -5.396 2.906 1.00 0.00 C ATOM 637 CG ASP A 48 -11.696 -6.574 2.888 1.00 0.00 C ATOM 638 OD1 ASP A 48 -12.847 -6.415 3.348 1.00 0.00 O ATOM 639 OD2 ASP A 48 -11.292 -7.657 2.415 1.00 0.00 O ATOM 0 H ASP A 48 -9.274 -3.217 4.703 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.198 -5.222 5.002 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.194 -4.558 2.375 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.832 -5.661 2.368 1.00 0.00 H new ATOM 643 N ARG A 49 -9.251 -6.987 5.033 1.00 0.00 N ATOM 644 CA ARG A 49 -8.122 -7.799 5.479 1.00 0.00 C ATOM 645 C ARG A 49 -7.492 -7.215 6.740 1.00 0.00 C ATOM 646 O ARG A 49 -8.076 -6.354 7.397 1.00 0.00 O ATOM 647 CB ARG A 49 -7.075 -7.903 4.367 1.00 0.00 C ATOM 648 CG ARG A 49 -7.667 -8.179 2.996 1.00 0.00 C ATOM 649 CD ARG A 49 -8.521 -9.437 2.999 1.00 0.00 C ATOM 650 NE ARG A 49 -7.712 -10.648 3.128 1.00 0.00 N ATOM 651 CZ ARG A 49 -8.213 -11.846 3.416 1.00 0.00 C ATOM 652 NH1 ARG A 49 -9.518 -12.000 3.608 1.00 0.00 N ATOM 653 NH2 ARG A 49 -7.408 -12.896 3.513 1.00 0.00 N ATOM 0 H ARG A 49 -10.126 -7.501 4.930 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.493 -8.797 5.714 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.506 -6.974 4.327 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.371 -8.697 4.616 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.272 -7.328 2.682 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.864 -8.285 2.267 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.235 -9.389 3.821 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.100 -9.484 2.077 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.705 -10.570 2.989 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.143 -11.197 3.535 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.896 -12.921 3.829 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.405 -12.785 3.367 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.792 -13.815 3.734 1.00 0.00 H new ATOM 664 N GLN A 50 -6.296 -7.691 7.073 1.00 0.00 N ATOM 665 CA GLN A 50 -5.586 -7.217 8.256 1.00 0.00 C ATOM 666 C GLN A 50 -4.883 -5.893 7.976 1.00 0.00 C ATOM 667 O GLN A 50 -5.330 -4.835 8.421 1.00 0.00 O ATOM 668 CB GLN A 50 -4.567 -8.261 8.718 1.00 0.00 C ATOM 669 CG GLN A 50 -5.173 -9.368 9.565 1.00 0.00 C ATOM 670 CD GLN A 50 -5.070 -9.087 11.051 1.00 0.00 C ATOM 671 OE1 GLN A 50 -4.106 -9.483 11.705 1.00 0.00 O ATOM 672 NE2 GLN A 50 -6.071 -8.400 11.594 1.00 0.00 N ATOM 0 H GLN A 50 -5.798 -8.404 6.540 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.318 -7.058 9.048 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.090 -8.704 7.843 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.784 -7.764 9.290 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.221 -9.495 9.295 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.670 -10.309 9.341 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.851 -8.091 11.014 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.059 -8.182 12.590 1.00 0.00 H new ATOM 679 N GLY A 51 -3.777 -5.959 7.234 1.00 0.00 N ATOM 680 CA GLY A 51 -3.026 -4.757 6.906 1.00 0.00 C ATOM 681 C GLY A 51 -1.559 -5.040 6.643 1.00 0.00 C ATOM 682 O GLY A 51 -0.882 -4.265 5.968 1.00 0.00 O ATOM 0 H GLY A 51 -3.389 -6.823 6.855 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.465 -4.287 6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.113 -4.043 7.725 1.00 0.00 H new ATOM 686 N PHE A 52 -1.063 -6.153 7.179 1.00 0.00 N ATOM 687 CA PHE A 52 0.333 -6.534 6.998 1.00 0.00 C ATOM 688 C PHE A 52 0.692 -6.620 5.518 1.00 0.00 C ATOM 689 O PHE A 52 0.453 -7.639 4.869 1.00 0.00 O ATOM 690 CB PHE A 52 0.608 -7.875 7.681 1.00 0.00 C ATOM 691 CG PHE A 52 0.580 -7.803 9.180 1.00 0.00 C ATOM 692 CD1 PHE A 52 1.439 -6.955 9.862 1.00 0.00 C ATOM 693 CD2 PHE A 52 -0.303 -8.583 9.909 1.00 0.00 C ATOM 694 CE1 PHE A 52 1.415 -6.887 11.242 1.00 0.00 C ATOM 695 CE2 PHE A 52 -0.333 -8.519 11.289 1.00 0.00 C ATOM 696 CZ PHE A 52 0.527 -7.669 11.956 1.00 0.00 C ATOM 0 H PHE A 52 -1.608 -6.806 7.742 1.00 0.00 H new ATOM 0 HA PHE A 52 0.954 -5.764 7.456 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.132 -8.602 7.347 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.583 -8.243 7.361 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.134 -6.341 9.309 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.977 -9.250 9.392 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.090 -6.223 11.762 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.027 -9.132 11.844 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.506 -7.615 13.034 1.00 0.00 H new ATOM 705 N VAL A 53 1.266 -5.545 4.991 1.00 0.00 N ATOM 706 CA VAL A 53 1.661 -5.497 3.588 1.00 0.00 C ATOM 707 C VAL A 53 2.859 -4.572 3.387 1.00 0.00 C ATOM 708 O VAL A 53 2.696 -3.366 3.202 1.00 0.00 O ATOM 709 CB VAL A 53 0.502 -5.013 2.693 1.00 0.00 C ATOM 710 CG1 VAL A 53 0.833 -5.237 1.225 1.00 0.00 C ATOM 711 CG2 VAL A 53 -0.794 -5.715 3.068 1.00 0.00 C ATOM 0 H VAL A 53 1.469 -4.694 5.515 1.00 0.00 H new ATOM 0 HA VAL A 53 1.933 -6.513 3.302 1.00 0.00 H new ATOM 0 HB VAL A 53 0.366 -3.943 2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.004 -4.890 0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.735 -4.682 0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.997 -6.300 1.047 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.599 -5.360 2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.675 -6.791 2.940 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.037 -5.498 4.108 1.00 0.00 H new ATOM 721 N PRO A 54 4.084 -5.126 3.423 1.00 0.00 N ATOM 722 CA PRO A 54 5.313 -4.342 3.244 1.00 0.00 C ATOM 723 C PRO A 54 5.289 -3.508 1.968 1.00 0.00 C ATOM 724 O PRO A 54 5.759 -3.948 0.918 1.00 0.00 O ATOM 725 CB PRO A 54 6.410 -5.407 3.166 1.00 0.00 C ATOM 726 CG PRO A 54 5.852 -6.579 3.893 1.00 0.00 C ATOM 727 CD PRO A 54 4.370 -6.556 3.641 1.00 0.00 C ATOM 0 HA PRO A 54 5.456 -3.623 4.051 1.00 0.00 H new ATOM 0 HB2 PRO A 54 6.645 -5.658 2.132 1.00 0.00 H new ATOM 0 HB3 PRO A 54 7.334 -5.058 3.627 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.295 -7.508 3.533 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.067 -6.515 4.960 1.00 0.00 H new ATOM 0 HD2 PRO A 54 4.100 -7.157 2.772 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.812 -6.953 4.489 1.00 0.00 H new ATOM 732 N ALA A 55 4.742 -2.301 2.066 1.00 0.00 N ATOM 733 CA ALA A 55 4.659 -1.405 0.919 1.00 0.00 C ATOM 734 C ALA A 55 6.048 -1.077 0.378 1.00 0.00 C ATOM 735 O ALA A 55 6.204 -0.750 -0.797 1.00 0.00 O ATOM 736 CB ALA A 55 3.924 -0.129 1.299 1.00 0.00 C ATOM 0 H ALA A 55 4.350 -1.921 2.928 1.00 0.00 H new ATOM 0 HA ALA A 55 4.101 -1.912 0.132 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.869 0.531 0.433 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.916 -0.375 1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.460 0.373 2.105 1.00 0.00 H new ATOM 742 N ALA A 56 7.053 -1.168 1.245 1.00 0.00 N ATOM 743 CA ALA A 56 8.429 -0.880 0.858 1.00 0.00 C ATOM 744 C ALA A 56 8.596 0.584 0.464 1.00 0.00 C ATOM 745 O ALA A 56 9.100 1.392 1.243 1.00 0.00 O ATOM 746 CB ALA A 56 8.862 -1.791 -0.282 1.00 0.00 C ATOM 0 H ALA A 56 6.939 -1.439 2.222 1.00 0.00 H new ATOM 0 HA ALA A 56 9.068 -1.070 1.720 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.891 -1.563 -0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.794 -2.831 0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.211 -1.632 -1.142 1.00 0.00 H new ATOM 752 N TYR A 57 8.167 0.920 -0.749 1.00 0.00 N ATOM 753 CA TYR A 57 8.270 2.288 -1.242 1.00 0.00 C ATOM 754 C TYR A 57 7.330 2.517 -2.422 1.00 0.00 C ATOM 755 O TYR A 57 7.346 1.765 -3.396 1.00 0.00 O ATOM 756 CB TYR A 57 9.709 2.599 -1.654 1.00 0.00 C ATOM 757 CG TYR A 57 10.198 1.779 -2.828 1.00 0.00 C ATOM 758 CD1 TYR A 57 9.957 2.188 -4.133 1.00 0.00 C ATOM 759 CD2 TYR A 57 10.899 0.595 -2.630 1.00 0.00 C ATOM 760 CE1 TYR A 57 10.401 1.443 -5.209 1.00 0.00 C ATOM 761 CE2 TYR A 57 11.346 -0.155 -3.700 1.00 0.00 C ATOM 762 CZ TYR A 57 11.095 0.272 -4.986 1.00 0.00 C ATOM 763 OH TYR A 57 11.540 -0.472 -6.055 1.00 0.00 O ATOM 0 H TYR A 57 7.746 0.264 -1.407 1.00 0.00 H new ATOM 0 HA TYR A 57 7.978 2.959 -0.434 1.00 0.00 H new ATOM 0 HB2 TYR A 57 9.785 3.657 -1.905 1.00 0.00 H new ATOM 0 HB3 TYR A 57 10.367 2.425 -0.802 1.00 0.00 H new ATOM 0 HD1 TYR A 57 9.413 3.104 -4.310 1.00 0.00 H new ATOM 0 HD2 TYR A 57 11.097 0.256 -1.624 1.00 0.00 H new ATOM 0 HE1 TYR A 57 10.206 1.775 -6.218 1.00 0.00 H new ATOM 0 HE2 TYR A 57 11.890 -1.072 -3.530 1.00 0.00 H new ATOM 0 HH TYR A 57 12.011 -1.266 -5.727 1.00 0.00 H new ATOM 772 N VAL A 58 6.515 3.562 -2.326 1.00 0.00 N ATOM 773 CA VAL A 58 5.570 3.894 -3.385 1.00 0.00 C ATOM 774 C VAL A 58 5.390 5.404 -3.504 1.00 0.00 C ATOM 775 O VAL A 58 5.093 6.082 -2.521 1.00 0.00 O ATOM 776 CB VAL A 58 4.195 3.244 -3.140 1.00 0.00 C ATOM 777 CG1 VAL A 58 3.282 3.459 -4.335 1.00 0.00 C ATOM 778 CG2 VAL A 58 4.354 1.761 -2.839 1.00 0.00 C ATOM 0 H VAL A 58 6.490 4.194 -1.525 1.00 0.00 H new ATOM 0 HA VAL A 58 5.986 3.503 -4.313 1.00 0.00 H new ATOM 0 HB VAL A 58 3.736 3.720 -2.274 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.316 2.993 -4.143 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.143 4.528 -4.499 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.731 3.011 -5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.373 1.317 -2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.834 1.268 -3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.969 1.634 -1.948 1.00 0.00 H new ATOM 788 N LYS A 59 5.574 5.924 -4.713 1.00 0.00 N ATOM 789 CA LYS A 59 5.434 7.355 -4.957 1.00 0.00 C ATOM 790 C LYS A 59 6.433 8.147 -4.118 1.00 0.00 C ATOM 791 O LYS A 59 7.359 7.580 -3.540 1.00 0.00 O ATOM 792 CB LYS A 59 4.007 7.810 -4.640 1.00 0.00 C ATOM 793 CG LYS A 59 2.935 6.931 -5.265 1.00 0.00 C ATOM 794 CD LYS A 59 2.085 7.705 -6.262 1.00 0.00 C ATOM 795 CE LYS A 59 0.630 7.270 -6.206 1.00 0.00 C ATOM 796 NZ LYS A 59 -0.294 8.374 -6.586 1.00 0.00 N ATOM 0 H LYS A 59 5.820 5.377 -5.538 1.00 0.00 H new ATOM 0 HA LYS A 59 5.641 7.543 -6.011 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.870 7.822 -3.559 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.875 8.834 -4.990 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.405 6.085 -5.767 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.296 6.523 -4.482 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.156 8.772 -6.051 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.473 7.553 -7.269 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.478 6.423 -6.875 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.392 6.928 -5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.191 7.974 -6.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.477 8.974 -5.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.140 8.946 -7.338 1.00 0.00 H new ATOM 806 N LYS A 60 6.242 9.461 -4.059 1.00 0.00 N ATOM 807 CA LYS A 60 7.128 10.328 -3.291 1.00 0.00 C ATOM 808 C LYS A 60 7.168 9.908 -1.825 1.00 0.00 C ATOM 809 O LYS A 60 8.123 9.276 -1.376 1.00 0.00 O ATOM 810 CB LYS A 60 6.676 11.786 -3.407 1.00 0.00 C ATOM 811 CG LYS A 60 7.273 12.516 -4.598 1.00 0.00 C ATOM 812 CD LYS A 60 7.198 14.023 -4.424 1.00 0.00 C ATOM 813 CE LYS A 60 8.258 14.733 -5.250 1.00 0.00 C ATOM 814 NZ LYS A 60 8.765 15.956 -4.570 1.00 0.00 N ATOM 0 H LYS A 60 5.482 9.948 -4.534 1.00 0.00 H new ATOM 0 HA LYS A 60 8.133 10.233 -3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.589 11.816 -3.481 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.948 12.315 -2.494 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.313 12.215 -4.726 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.743 12.227 -5.506 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.209 14.375 -4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.326 14.276 -3.371 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.088 14.052 -5.438 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.841 15.003 -6.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.486 16.411 -5.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.978 16.617 -4.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.186 15.695 -3.655 1.00 0.00 H new ATOM 824 N LEU A 61 6.121 10.264 -1.084 1.00 0.00 N ATOM 825 CA LEU A 61 6.030 9.927 0.334 1.00 0.00 C ATOM 826 C LEU A 61 7.149 10.596 1.129 1.00 0.00 C ATOM 827 O LEU A 61 6.928 11.607 1.795 1.00 0.00 O ATOM 828 CB LEU A 61 6.082 8.409 0.525 1.00 0.00 C ATOM 829 CG LEU A 61 6.075 7.938 1.980 1.00 0.00 C ATOM 830 CD1 LEU A 61 4.664 7.964 2.544 1.00 0.00 C ATOM 831 CD2 LEU A 61 6.671 6.541 2.090 1.00 0.00 C ATOM 0 H LEU A 61 5.322 10.787 -1.443 1.00 0.00 H new ATOM 0 HA LEU A 61 5.076 10.298 0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.230 7.964 0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.981 8.028 0.040 1.00 0.00 H new ATOM 0 HG LEU A 61 6.689 8.621 2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.680 7.626 3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.273 8.981 2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.025 7.304 1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.658 6.221 3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.083 5.846 1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.699 6.554 1.727 1.00 0.00 H new ATOM 842 N ASP A 62 8.348 10.026 1.057 1.00 0.00 N ATOM 843 CA ASP A 62 9.497 10.571 1.771 1.00 0.00 C ATOM 844 C ASP A 62 9.805 11.990 1.304 1.00 0.00 C ATOM 845 O ASP A 62 10.099 12.166 0.103 1.00 0.00 O ATOM 846 CB ASP A 62 10.721 9.678 1.566 1.00 0.00 C ATOM 847 CG ASP A 62 11.885 10.080 2.450 1.00 0.00 C ATOM 848 OD1 ASP A 62 12.216 11.284 2.484 1.00 0.00 O ATOM 849 OD2 ASP A 62 12.467 9.192 3.109 1.00 0.00 O ATOM 0 H ASP A 62 8.549 9.188 0.512 1.00 0.00 H new ATOM 0 HA ASP A 62 9.252 10.602 2.833 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.451 8.643 1.774 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.029 9.723 0.521 1.00 0.00 H new TER 853 ASP A 62