USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 677 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 94 CYS SG : rot 36:sc=-0.00817 USER MOD Set 1.2: A 101 CYS SG : rot 180:sc= -0.145 USER MOD Set 1.3: A 104 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 93 ASN : amide:sc= 0.09 K(o=0.19,f=-2.8) USER MOD Set 2.2: A 95 LYS NZ :NH3+ 156:sc= 0.0952 (180deg=0) USER MOD Set 3.1: A 48 THR OG1 : rot 180:sc= 0.0377 USER MOD Set 3.2: A 86 SER OG : rot 45:sc= 0.0601 USER MOD Set 4.1: A 11 THR OG1 : rot -73:sc= 0.147 USER MOD Set 4.2: A 21 SER OG : rot 132:sc= 1.04 USER MOD Single : A 1 ALA N :NH3+ 175:sc= -0.0809 (180deg=-0.245) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0578 USER MOD Single : A 3 SER OG : rot 180:sc= -0.363 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.244 USER MOD Single : A 10 LYS NZ :NH3+ 150:sc= -1.21 (180deg=-1.97!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -31:sc= 0.039! USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -1.13 X(o=-1.1,f=-0.85) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.352 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0284 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.16 USER MOD Single : A 31 SER OG : rot 13:sc= 0.132! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 45 THR OG1 : rot 145:sc= -0.144 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 27:sc= 0.0468 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 58 SER OG : rot -6:sc= 0.858 USER MOD Single : A 61 HIS : no HE2:sc= -1.91 K(o=-1.9,f=-5.2!) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.731 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 70 ASN : amide:sc= -2.24 K(o=-2.2,f=-3.4) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 20:sc= 0.25 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -2.17 K(o=-2.2,f=-3.4) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -0.125 USER MOD Single : A 97 ASN : amide:sc= -0.0735 K(o=-0.073,f=-2!) USER MOD Single : A 100 SER OG : rot 99:sc= -0.383 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -23.327 20.951 22.251 1.00 42.10 N ATOM 2 CA ALA A 1 -23.635 22.171 22.988 1.00 4.14 C ATOM 3 C ALA A 1 -22.687 22.353 24.167 1.00 43.04 C ATOM 4 O ALA A 1 -23.034 22.987 25.165 1.00 50.11 O ATOM 5 CB ALA A 1 -25.079 22.146 23.468 1.00 13.52 C ATOM 0 H1 ALA A 1 -24.038 20.807 21.506 1.00 42.10 H new ATOM 0 H2 ALA A 1 -22.385 21.035 21.819 1.00 42.10 H new ATOM 0 H3 ALA A 1 -23.338 20.140 22.902 1.00 42.10 H new ATOM 0 HA ALA A 1 -23.502 23.018 22.314 1.00 4.14 H new ATOM 0 HB1 ALA A 1 -25.296 23.062 24.017 1.00 13.52 H new ATOM 0 HB2 ALA A 1 -25.746 22.070 22.610 1.00 13.52 H new ATOM 0 HB3 ALA A 1 -25.230 21.287 24.122 1.00 13.52 H new ATOM 11 N THR A 2 -21.487 21.794 24.049 1.00 13.12 N ATOM 12 CA THR A 2 -20.489 21.893 25.105 1.00 72.52 C ATOM 13 C THR A 2 -19.102 21.525 24.590 1.00 51.03 C ATOM 14 O THR A 2 -18.137 22.259 24.800 1.00 54.23 O ATOM 15 CB THR A 2 -20.839 20.982 26.297 1.00 62.23 C ATOM 16 OG1 THR A 2 -21.898 20.089 25.935 1.00 33.34 O ATOM 17 CG2 THR A 2 -21.256 21.807 27.506 1.00 54.41 C ATOM 0 H THR A 2 -21.183 21.267 23.230 1.00 13.12 H new ATOM 0 HA THR A 2 -20.486 22.931 25.438 1.00 72.52 H new ATOM 0 HB THR A 2 -19.951 20.407 26.559 1.00 62.23 H new ATOM 0 HG1 THR A 2 -22.114 19.512 26.697 1.00 33.34 H new ATOM 0 HG21 THR A 2 -21.498 21.142 28.335 1.00 54.41 H new ATOM 0 HG22 THR A 2 -20.438 22.466 27.797 1.00 54.41 H new ATOM 0 HG23 THR A 2 -22.131 22.406 27.254 1.00 54.41 H new ATOM 25 N SER A 3 -19.012 20.385 23.914 1.00 12.33 N ATOM 26 CA SER A 3 -17.742 19.917 23.370 1.00 42.41 C ATOM 27 C SER A 3 -17.969 18.894 22.261 1.00 31.03 C ATOM 28 O SER A 3 -19.104 18.641 21.858 1.00 55.51 O ATOM 29 CB SER A 3 -16.883 19.304 24.477 1.00 51.15 C ATOM 30 OG SER A 3 -17.442 19.557 25.755 1.00 2.21 O ATOM 0 H SER A 3 -19.803 19.768 23.730 1.00 12.33 H new ATOM 0 HA SER A 3 -17.219 20.775 22.947 1.00 42.41 H new ATOM 0 HB2 SER A 3 -16.796 18.229 24.321 1.00 51.15 H new ATOM 0 HB3 SER A 3 -15.875 19.716 24.430 1.00 51.15 H new ATOM 0 HG SER A 3 -16.875 19.154 26.446 1.00 2.21 H new ATOM 36 N ALA A 4 -16.881 18.308 21.773 1.00 54.45 N ATOM 37 CA ALA A 4 -16.960 17.310 20.714 1.00 55.54 C ATOM 38 C ALA A 4 -17.034 15.901 21.291 1.00 55.23 C ATOM 39 O ALA A 4 -16.377 15.591 22.285 1.00 73.31 O ATOM 40 CB ALA A 4 -15.766 17.438 19.778 1.00 53.11 C ATOM 0 H ALA A 4 -15.934 18.507 22.094 1.00 54.45 H new ATOM 0 HA ALA A 4 -17.873 17.490 20.147 1.00 55.54 H new ATOM 0 HB1 ALA A 4 -15.838 16.686 18.992 1.00 53.11 H new ATOM 0 HB2 ALA A 4 -15.759 18.432 19.330 1.00 53.11 H new ATOM 0 HB3 ALA A 4 -14.845 17.287 20.341 1.00 53.11 H new ATOM 46 N THR A 5 -17.838 15.050 20.662 1.00 51.10 N ATOM 47 CA THR A 5 -18.000 13.674 21.114 1.00 53.35 C ATOM 48 C THR A 5 -17.901 12.697 19.948 1.00 11.22 C ATOM 49 O THR A 5 -17.780 13.105 18.793 1.00 14.13 O ATOM 50 CB THR A 5 -19.351 13.471 21.826 1.00 55.30 C ATOM 51 OG1 THR A 5 -20.311 14.410 21.329 1.00 21.33 O ATOM 52 CG2 THR A 5 -19.200 13.640 23.330 1.00 62.41 C ATOM 0 H THR A 5 -18.388 15.290 19.837 1.00 51.10 H new ATOM 0 HA THR A 5 -17.193 13.477 21.820 1.00 53.35 H new ATOM 0 HB THR A 5 -19.696 12.457 21.623 1.00 55.30 H new ATOM 0 HG1 THR A 5 -21.168 14.274 21.785 1.00 21.33 H new ATOM 0 HG21 THR A 5 -20.167 13.492 23.812 1.00 62.41 H new ATOM 0 HG22 THR A 5 -18.490 12.905 23.709 1.00 62.41 H new ATOM 0 HG23 THR A 5 -18.835 14.644 23.549 1.00 62.41 H new ATOM 60 N ALA A 6 -17.955 11.406 20.257 1.00 53.13 N ATOM 61 CA ALA A 6 -17.874 10.370 19.234 1.00 54.24 C ATOM 62 C ALA A 6 -18.403 9.039 19.758 1.00 50.44 C ATOM 63 O ALA A 6 -18.548 8.848 20.965 1.00 43.04 O ATOM 64 CB ALA A 6 -16.440 10.217 18.751 1.00 74.12 C ATOM 0 H ALA A 6 -18.055 11.052 21.208 1.00 53.13 H new ATOM 0 HA ALA A 6 -18.498 10.674 18.394 1.00 54.24 H new ATOM 0 HB1 ALA A 6 -16.394 9.440 17.988 1.00 74.12 H new ATOM 0 HB2 ALA A 6 -16.095 11.161 18.329 1.00 74.12 H new ATOM 0 HB3 ALA A 6 -15.801 9.940 19.590 1.00 74.12 H new ATOM 70 N THR A 7 -18.691 8.121 18.841 1.00 13.31 N ATOM 71 CA THR A 7 -19.205 6.808 19.209 1.00 64.21 C ATOM 72 C THR A 7 -18.844 5.762 18.162 1.00 0.42 C ATOM 73 O THR A 7 -18.755 6.064 16.971 1.00 63.35 O ATOM 74 CB THR A 7 -20.736 6.834 19.384 1.00 72.55 C ATOM 75 OG1 THR A 7 -21.142 8.083 19.955 1.00 32.10 O ATOM 76 CG2 THR A 7 -21.197 5.690 20.275 1.00 31.22 C ATOM 0 H THR A 7 -18.577 8.263 17.837 1.00 13.31 H new ATOM 0 HA THR A 7 -18.741 6.542 20.159 1.00 64.21 H new ATOM 0 HB THR A 7 -21.195 6.717 18.402 1.00 72.55 H new ATOM 0 HG1 THR A 7 -22.116 8.093 20.062 1.00 32.10 H new ATOM 0 HG21 THR A 7 -22.281 5.728 20.385 1.00 31.22 H new ATOM 0 HG22 THR A 7 -20.911 4.740 19.824 1.00 31.22 H new ATOM 0 HG23 THR A 7 -20.730 5.781 21.256 1.00 31.22 H new ATOM 84 N PHE A 8 -18.636 4.528 18.611 1.00 55.42 N ATOM 85 CA PHE A 8 -18.282 3.437 17.712 1.00 20.44 C ATOM 86 C PHE A 8 -19.533 2.795 17.118 1.00 32.43 C ATOM 87 O PHE A 8 -20.573 2.717 17.771 1.00 43.01 O ATOM 88 CB PHE A 8 -17.458 2.382 18.455 1.00 3.54 C ATOM 89 CG PHE A 8 -17.210 1.139 17.648 1.00 44.14 C ATOM 90 CD1 PHE A 8 -16.501 1.199 16.459 1.00 63.21 C ATOM 91 CD2 PHE A 8 -17.684 -0.089 18.081 1.00 54.32 C ATOM 92 CE1 PHE A 8 -16.273 0.056 15.715 1.00 51.25 C ATOM 93 CE2 PHE A 8 -17.458 -1.235 17.342 1.00 55.42 C ATOM 94 CZ PHE A 8 -16.749 -1.162 16.158 1.00 22.04 C ATOM 0 H PHE A 8 -18.707 4.259 19.592 1.00 55.42 H new ATOM 0 HA PHE A 8 -17.684 3.849 16.899 1.00 20.44 H new ATOM 0 HB2 PHE A 8 -16.500 2.816 18.743 1.00 3.54 H new ATOM 0 HB3 PHE A 8 -17.974 2.111 19.376 1.00 3.54 H new ATOM 0 HD1 PHE A 8 -16.123 2.148 16.110 1.00 63.21 H new ATOM 0 HD2 PHE A 8 -18.237 -0.151 19.007 1.00 54.32 H new ATOM 0 HE1 PHE A 8 -15.723 0.116 14.788 1.00 51.25 H new ATOM 0 HE2 PHE A 8 -17.835 -2.186 17.689 1.00 55.42 H new ATOM 0 HZ PHE A 8 -16.568 -2.056 15.580 1.00 22.04 H new ATOM 104 N ALA A 9 -19.423 2.337 15.876 1.00 0.33 N ATOM 105 CA ALA A 9 -20.544 1.701 15.194 1.00 3.32 C ATOM 106 C ALA A 9 -20.072 0.536 14.331 1.00 13.24 C ATOM 107 O ALA A 9 -18.873 0.281 14.214 1.00 53.43 O ATOM 108 CB ALA A 9 -21.291 2.719 14.345 1.00 64.35 C ATOM 0 H ALA A 9 -18.569 2.394 15.321 1.00 0.33 H new ATOM 0 HA ALA A 9 -21.222 1.307 15.951 1.00 3.32 H new ATOM 0 HB1 ALA A 9 -22.125 2.231 13.841 1.00 64.35 H new ATOM 0 HB2 ALA A 9 -21.669 3.517 14.983 1.00 64.35 H new ATOM 0 HB3 ALA A 9 -20.614 3.139 13.601 1.00 64.35 H new ATOM 114 N LYS A 10 -21.022 -0.170 13.728 1.00 33.44 N ATOM 115 CA LYS A 10 -20.704 -1.310 12.875 1.00 11.11 C ATOM 116 C LYS A 10 -21.189 -1.073 11.448 1.00 53.42 C ATOM 117 O LYS A 10 -21.968 -0.155 11.190 1.00 30.02 O ATOM 118 CB LYS A 10 -21.338 -2.585 13.435 1.00 33.11 C ATOM 119 CG LYS A 10 -20.391 -3.772 13.466 1.00 11.31 C ATOM 120 CD LYS A 10 -20.670 -4.738 12.327 1.00 31.23 C ATOM 121 CE LYS A 10 -19.413 -5.487 11.910 1.00 24.32 C ATOM 122 NZ LYS A 10 -18.890 -6.346 13.008 1.00 35.43 N ATOM 0 H LYS A 10 -22.019 0.027 13.814 1.00 33.44 H new ATOM 0 HA LYS A 10 -19.621 -1.428 12.857 1.00 11.11 H new ATOM 0 HB2 LYS A 10 -21.695 -2.389 14.446 1.00 33.11 H new ATOM 0 HB3 LYS A 10 -22.210 -2.842 12.833 1.00 33.11 H new ATOM 0 HG2 LYS A 10 -19.362 -3.419 13.401 1.00 11.31 H new ATOM 0 HG3 LYS A 10 -20.490 -4.293 14.418 1.00 11.31 H new ATOM 0 HD2 LYS A 10 -21.435 -5.451 12.633 1.00 31.23 H new ATOM 0 HD3 LYS A 10 -21.068 -4.190 11.473 1.00 31.23 H new ATOM 0 HE2 LYS A 10 -19.630 -6.104 11.038 1.00 24.32 H new ATOM 0 HE3 LYS A 10 -18.646 -4.772 11.611 1.00 24.32 H new ATOM 0 HZ1 LYS A 10 -18.407 -7.173 12.602 1.00 35.43 H new ATOM 0 HZ2 LYS A 10 -18.218 -5.801 13.585 1.00 35.43 H new ATOM 0 HZ3 LYS A 10 -19.679 -6.665 13.605 1.00 35.43 H new ATOM 136 N THR A 11 -20.723 -1.908 10.523 1.00 61.23 N ATOM 137 CA THR A 11 -21.109 -1.789 9.123 1.00 64.43 C ATOM 138 C THR A 11 -21.547 -3.135 8.557 1.00 75.10 C ATOM 139 O THR A 11 -22.675 -3.286 8.089 1.00 72.52 O ATOM 140 CB THR A 11 -19.955 -1.235 8.267 1.00 3.25 C ATOM 141 OG1 THR A 11 -18.940 -0.682 9.112 1.00 1.42 O ATOM 142 CG2 THR A 11 -20.458 -0.170 7.305 1.00 42.13 C ATOM 0 H THR A 11 -20.078 -2.673 10.719 1.00 61.23 H new ATOM 0 HA THR A 11 -21.946 -1.092 9.084 1.00 64.43 H new ATOM 0 HB THR A 11 -19.535 -2.057 7.687 1.00 3.25 H new ATOM 0 HG1 THR A 11 -19.252 0.169 9.485 1.00 1.42 H new ATOM 0 HG21 THR A 11 -19.625 0.206 6.711 1.00 42.13 H new ATOM 0 HG22 THR A 11 -21.209 -0.602 6.644 1.00 42.13 H new ATOM 0 HG23 THR A 11 -20.901 0.650 7.870 1.00 42.13 H new ATOM 150 N SER A 12 -20.646 -4.112 8.604 1.00 63.00 N ATOM 151 CA SER A 12 -20.938 -5.447 8.093 1.00 45.32 C ATOM 152 C SER A 12 -19.748 -6.379 8.298 1.00 23.04 C ATOM 153 O SER A 12 -18.605 -6.015 8.023 1.00 44.44 O ATOM 154 CB SER A 12 -21.298 -5.379 6.608 1.00 3.22 C ATOM 155 OG SER A 12 -22.572 -5.951 6.365 1.00 64.34 O ATOM 0 H SER A 12 -19.708 -4.004 8.991 1.00 63.00 H new ATOM 0 HA SER A 12 -21.788 -5.845 8.648 1.00 45.32 H new ATOM 0 HB2 SER A 12 -21.293 -4.341 6.277 1.00 3.22 H new ATOM 0 HB3 SER A 12 -20.543 -5.904 6.023 1.00 3.22 H new ATOM 0 HG SER A 12 -22.779 -5.894 5.409 1.00 64.34 H new ATOM 161 N ASP A 13 -20.026 -7.584 8.782 1.00 70.30 N ATOM 162 CA ASP A 13 -18.979 -8.571 9.024 1.00 3.00 C ATOM 163 C ASP A 13 -19.165 -9.790 8.124 1.00 71.31 C ATOM 164 O ASP A 13 -20.242 -10.384 8.082 1.00 43.14 O ATOM 165 CB ASP A 13 -18.982 -9.000 10.491 1.00 74.14 C ATOM 166 CG ASP A 13 -20.380 -9.062 11.075 1.00 4.33 C ATOM 167 OD1 ASP A 13 -21.250 -9.714 10.461 1.00 23.34 O ATOM 168 OD2 ASP A 13 -20.604 -8.459 12.145 1.00 10.51 O ATOM 0 H ASP A 13 -20.967 -7.902 9.015 1.00 70.30 H new ATOM 0 HA ASP A 13 -18.019 -8.111 8.791 1.00 3.00 H new ATOM 0 HB2 ASP A 13 -18.510 -9.979 10.581 1.00 74.14 H new ATOM 0 HB3 ASP A 13 -18.380 -8.301 11.072 1.00 74.14 H new ATOM 173 N TRP A 14 -18.108 -10.155 7.408 1.00 33.32 N ATOM 174 CA TRP A 14 -18.155 -11.303 6.510 1.00 14.04 C ATOM 175 C TRP A 14 -17.298 -12.446 7.041 1.00 33.42 C ATOM 176 O TRP A 14 -16.151 -12.618 6.631 1.00 14.12 O ATOM 177 CB TRP A 14 -17.681 -10.902 5.112 1.00 14.32 C ATOM 178 CG TRP A 14 -16.435 -10.067 5.124 1.00 0.30 C ATOM 179 CD1 TRP A 14 -15.155 -10.503 4.936 1.00 11.41 C ATOM 180 CD2 TRP A 14 -16.353 -8.655 5.337 1.00 44.55 C ATOM 181 NE1 TRP A 14 -14.281 -9.446 5.019 1.00 43.24 N ATOM 182 CE2 TRP A 14 -14.992 -8.300 5.264 1.00 13.31 C ATOM 183 CE3 TRP A 14 -17.297 -7.653 5.580 1.00 54.30 C ATOM 184 CZ2 TRP A 14 -14.554 -6.988 5.427 1.00 13.21 C ATOM 185 CZ3 TRP A 14 -16.861 -6.351 5.742 1.00 72.31 C ATOM 186 CH2 TRP A 14 -15.499 -6.028 5.664 1.00 12.10 C ATOM 0 H TRP A 14 -17.209 -9.674 7.432 1.00 33.32 H new ATOM 0 HA TRP A 14 -19.188 -11.645 6.453 1.00 14.04 H new ATOM 0 HB2 TRP A 14 -17.501 -11.803 4.525 1.00 14.32 H new ATOM 0 HB3 TRP A 14 -18.476 -10.349 4.611 1.00 14.32 H new ATOM 0 HD1 TRP A 14 -14.871 -11.528 4.749 1.00 11.41 H new ATOM 0 HE1 TRP A 14 -13.268 -9.505 4.915 1.00 43.24 H new ATOM 0 HE3 TRP A 14 -18.349 -7.892 5.640 1.00 54.30 H new ATOM 0 HZ2 TRP A 14 -13.505 -6.737 5.368 1.00 13.21 H new ATOM 0 HZ3 TRP A 14 -17.582 -5.570 5.932 1.00 72.31 H new ATOM 0 HH2 TRP A 14 -15.190 -5.001 5.794 1.00 12.10 H new ATOM 197 N GLY A 15 -17.862 -13.227 7.958 1.00 72.34 N ATOM 198 CA GLY A 15 -17.135 -14.344 8.532 1.00 12.31 C ATOM 199 C GLY A 15 -16.063 -13.900 9.508 1.00 0.32 C ATOM 200 O GLY A 15 -16.299 -13.837 10.714 1.00 30.44 O ATOM 0 H GLY A 15 -18.810 -13.106 8.314 1.00 72.34 H new ATOM 0 HA2 GLY A 15 -17.835 -15.005 9.043 1.00 12.31 H new ATOM 0 HA3 GLY A 15 -16.675 -14.924 7.732 1.00 12.31 H new ATOM 204 N THR A 16 -14.880 -13.590 8.985 1.00 43.13 N ATOM 205 CA THR A 16 -13.768 -13.152 9.819 1.00 3.42 C ATOM 206 C THR A 16 -13.577 -11.642 9.731 1.00 43.22 C ATOM 207 O THR A 16 -12.923 -11.038 10.581 1.00 10.34 O ATOM 208 CB THR A 16 -12.455 -13.848 9.415 1.00 23.01 C ATOM 209 OG1 THR A 16 -11.363 -13.307 10.167 1.00 13.23 O ATOM 210 CG2 THR A 16 -12.187 -13.676 7.927 1.00 4.03 C ATOM 0 H THR A 16 -14.668 -13.634 7.988 1.00 43.13 H new ATOM 0 HA THR A 16 -14.015 -13.426 10.845 1.00 3.42 H new ATOM 0 HB THR A 16 -12.552 -14.912 9.630 1.00 23.01 H new ATOM 0 HG1 THR A 16 -11.542 -12.366 10.373 1.00 13.23 H new ATOM 0 HG21 THR A 16 -11.254 -14.176 7.665 1.00 4.03 H new ATOM 0 HG22 THR A 16 -13.006 -14.114 7.357 1.00 4.03 H new ATOM 0 HG23 THR A 16 -12.108 -12.615 7.692 1.00 4.03 H new ATOM 218 N GLY A 17 -14.155 -11.035 8.698 1.00 31.02 N ATOM 219 CA GLY A 17 -14.038 -9.600 8.520 1.00 52.51 C ATOM 220 C GLY A 17 -15.139 -8.835 9.228 1.00 15.11 C ATOM 221 O GLY A 17 -16.225 -9.367 9.456 1.00 71.53 O ATOM 0 H GLY A 17 -14.702 -11.512 7.982 1.00 31.02 H new ATOM 0 HA2 GLY A 17 -13.070 -9.268 8.896 1.00 52.51 H new ATOM 0 HA3 GLY A 17 -14.064 -9.366 7.456 1.00 52.51 H new ATOM 225 N PHE A 18 -14.857 -7.584 9.577 1.00 34.34 N ATOM 226 CA PHE A 18 -15.831 -6.746 10.266 1.00 22.02 C ATOM 227 C PHE A 18 -15.733 -5.298 9.795 1.00 14.35 C ATOM 228 O PHE A 18 -14.644 -4.796 9.521 1.00 72.13 O ATOM 229 CB PHE A 18 -15.618 -6.817 11.778 1.00 73.54 C ATOM 230 CG PHE A 18 -14.450 -6.002 12.259 1.00 33.24 C ATOM 231 CD1 PHE A 18 -14.615 -4.674 12.612 1.00 42.50 C ATOM 232 CD2 PHE A 18 -13.189 -6.567 12.355 1.00 53.43 C ATOM 233 CE1 PHE A 18 -13.542 -3.921 13.054 1.00 70.33 C ATOM 234 CE2 PHE A 18 -12.113 -5.820 12.797 1.00 14.31 C ATOM 235 CZ PHE A 18 -12.290 -4.495 13.146 1.00 10.21 C ATOM 0 H PHE A 18 -13.963 -7.129 9.394 1.00 34.34 H new ATOM 0 HA PHE A 18 -16.827 -7.120 10.029 1.00 22.02 H new ATOM 0 HB2 PHE A 18 -16.522 -6.473 12.281 1.00 73.54 H new ATOM 0 HB3 PHE A 18 -15.468 -7.857 12.067 1.00 73.54 H new ATOM 0 HD1 PHE A 18 -15.593 -4.220 12.542 1.00 42.50 H new ATOM 0 HD2 PHE A 18 -13.045 -7.602 12.082 1.00 53.43 H new ATOM 0 HE1 PHE A 18 -13.684 -2.886 13.327 1.00 70.33 H new ATOM 0 HE2 PHE A 18 -11.135 -6.272 12.869 1.00 14.31 H new ATOM 0 HZ PHE A 18 -11.450 -3.909 13.490 1.00 10.21 H new ATOM 245 N GLY A 19 -16.880 -4.633 9.701 1.00 44.42 N ATOM 246 CA GLY A 19 -16.902 -3.250 9.261 1.00 63.24 C ATOM 247 C GLY A 19 -17.046 -2.277 10.415 1.00 11.21 C ATOM 248 O GLY A 19 -18.002 -2.354 11.185 1.00 40.33 O ATOM 0 H GLY A 19 -17.795 -5.027 9.922 1.00 44.42 H new ATOM 0 HA2 GLY A 19 -15.983 -3.030 8.717 1.00 63.24 H new ATOM 0 HA3 GLY A 19 -17.727 -3.107 8.564 1.00 63.24 H new ATOM 252 N GLY A 20 -16.091 -1.359 10.536 1.00 3.04 N ATOM 253 CA GLY A 20 -16.134 -0.381 11.607 1.00 20.14 C ATOM 254 C GLY A 20 -16.530 0.998 11.119 1.00 2.15 C ATOM 255 O GLY A 20 -16.091 1.438 10.057 1.00 14.24 O ATOM 0 H GLY A 20 -15.289 -1.276 9.911 1.00 3.04 H new ATOM 0 HA2 GLY A 20 -16.842 -0.711 12.367 1.00 20.14 H new ATOM 0 HA3 GLY A 20 -15.156 -0.327 12.084 1.00 20.14 H new ATOM 259 N SER A 21 -17.365 1.682 11.894 1.00 30.41 N ATOM 260 CA SER A 21 -17.826 3.017 11.532 1.00 34.43 C ATOM 261 C SER A 21 -17.747 3.961 12.727 1.00 52.13 C ATOM 262 O SER A 21 -18.504 3.830 13.688 1.00 21.03 O ATOM 263 CB SER A 21 -19.261 2.959 11.008 1.00 1.04 C ATOM 264 OG SER A 21 -19.510 1.737 10.334 1.00 73.15 O ATOM 0 H SER A 21 -17.737 1.333 12.778 1.00 30.41 H new ATOM 0 HA SER A 21 -17.175 3.399 10.746 1.00 34.43 H new ATOM 0 HB2 SER A 21 -19.959 3.069 11.838 1.00 1.04 H new ATOM 0 HB3 SER A 21 -19.438 3.794 10.330 1.00 1.04 H new ATOM 0 HG SER A 21 -20.354 1.354 10.653 1.00 73.15 H new ATOM 270 N TRP A 22 -16.823 4.914 12.660 1.00 24.42 N ATOM 271 CA TRP A 22 -16.644 5.882 13.736 1.00 64.42 C ATOM 272 C TRP A 22 -17.434 7.156 13.459 1.00 41.23 C ATOM 273 O TRP A 22 -17.420 7.678 12.344 1.00 5.03 O ATOM 274 CB TRP A 22 -15.161 6.214 13.909 1.00 61.23 C ATOM 275 CG TRP A 22 -14.341 5.048 14.372 1.00 65.13 C ATOM 276 CD1 TRP A 22 -13.578 4.224 13.596 1.00 11.25 C ATOM 277 CD2 TRP A 22 -14.205 4.576 15.717 1.00 23.55 C ATOM 278 NE1 TRP A 22 -12.975 3.267 14.377 1.00 24.00 N ATOM 279 CE2 TRP A 22 -13.344 3.462 15.682 1.00 31.04 C ATOM 280 CE3 TRP A 22 -14.728 4.986 16.947 1.00 15.42 C ATOM 281 CZ2 TRP A 22 -12.994 2.756 16.830 1.00 4.32 C ATOM 282 CZ3 TRP A 22 -14.379 4.284 18.085 1.00 2.43 C ATOM 283 CH2 TRP A 22 -13.519 3.179 18.021 1.00 3.22 C ATOM 0 H TRP A 22 -16.187 5.037 11.872 1.00 24.42 H new ATOM 0 HA TRP A 22 -17.020 5.437 14.658 1.00 64.42 H new ATOM 0 HB2 TRP A 22 -14.764 6.574 12.960 1.00 61.23 H new ATOM 0 HB3 TRP A 22 -15.060 7.028 14.627 1.00 61.23 H new ATOM 0 HD1 TRP A 22 -13.465 4.311 12.526 1.00 11.25 H new ATOM 0 HE1 TRP A 22 -12.354 2.531 14.040 1.00 24.00 H new ATOM 0 HE3 TRP A 22 -15.392 5.835 17.007 1.00 15.42 H new ATOM 0 HZ2 TRP A 22 -12.331 1.904 16.782 1.00 4.32 H new ATOM 0 HZ3 TRP A 22 -14.776 4.592 19.041 1.00 2.43 H new ATOM 0 HH2 TRP A 22 -13.266 2.651 18.929 1.00 3.22 H new ATOM 294 N THR A 23 -18.122 7.655 14.482 1.00 25.34 N ATOM 295 CA THR A 23 -18.920 8.867 14.347 1.00 54.05 C ATOM 296 C THR A 23 -18.292 10.026 15.116 1.00 32.25 C ATOM 297 O THR A 23 -17.958 9.894 16.293 1.00 22.33 O ATOM 298 CB THR A 23 -20.359 8.652 14.852 1.00 2.40 C ATOM 299 OG1 THR A 23 -20.957 7.544 14.170 1.00 4.50 O ATOM 300 CG2 THR A 23 -21.201 9.902 14.635 1.00 34.43 C ATOM 0 H THR A 23 -18.142 7.238 15.413 1.00 25.34 H new ATOM 0 HA THR A 23 -18.948 9.110 13.285 1.00 54.05 H new ATOM 0 HB THR A 23 -20.318 8.441 15.921 1.00 2.40 H new ATOM 0 HG1 THR A 23 -21.871 7.413 14.498 1.00 4.50 H new ATOM 0 HG21 THR A 23 -22.213 9.727 14.999 1.00 34.43 H new ATOM 0 HG22 THR A 23 -20.759 10.737 15.179 1.00 34.43 H new ATOM 0 HG23 THR A 23 -21.234 10.138 13.571 1.00 34.43 H new ATOM 308 N VAL A 24 -18.134 11.160 14.441 1.00 61.24 N ATOM 309 CA VAL A 24 -17.548 12.342 15.062 1.00 22.10 C ATOM 310 C VAL A 24 -18.458 13.555 14.902 1.00 43.23 C ATOM 311 O VAL A 24 -18.943 13.842 13.808 1.00 4.12 O ATOM 312 CB VAL A 24 -16.168 12.667 14.458 1.00 0.00 C ATOM 313 CG1 VAL A 24 -15.488 13.776 15.246 1.00 24.22 C ATOM 314 CG2 VAL A 24 -15.299 11.420 14.419 1.00 14.43 C ATOM 0 H VAL A 24 -18.403 11.285 13.465 1.00 61.24 H new ATOM 0 HA VAL A 24 -17.429 12.117 16.122 1.00 22.10 H new ATOM 0 HB VAL A 24 -16.310 13.016 13.435 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -14.515 13.992 14.805 1.00 24.22 H new ATOM 0 HG12 VAL A 24 -16.106 14.673 15.218 1.00 24.22 H new ATOM 0 HG13 VAL A 24 -15.355 13.459 16.280 1.00 24.22 H new ATOM 0 HG21 VAL A 24 -14.328 11.667 13.990 1.00 14.43 H new ATOM 0 HG22 VAL A 24 -15.162 11.040 15.431 1.00 14.43 H new ATOM 0 HG23 VAL A 24 -15.783 10.658 13.808 1.00 14.43 H new ATOM 324 N LYS A 25 -18.686 14.265 16.001 1.00 71.42 N ATOM 325 CA LYS A 25 -19.536 15.449 15.985 1.00 63.24 C ATOM 326 C LYS A 25 -18.974 16.537 16.895 1.00 33.51 C ATOM 327 O LYS A 25 -18.849 16.344 18.105 1.00 5.11 O ATOM 328 CB LYS A 25 -20.958 15.087 16.424 1.00 53.53 C ATOM 329 CG LYS A 25 -22.034 15.916 15.743 1.00 30.10 C ATOM 330 CD LYS A 25 -22.662 16.911 16.704 1.00 43.15 C ATOM 331 CE LYS A 25 -23.996 17.423 16.182 1.00 20.54 C ATOM 332 NZ LYS A 25 -23.820 18.454 15.124 1.00 60.15 N ATOM 0 H LYS A 25 -18.293 14.041 16.915 1.00 71.42 H new ATOM 0 HA LYS A 25 -19.562 15.832 14.965 1.00 63.24 H new ATOM 0 HB2 LYS A 25 -21.137 14.032 16.215 1.00 53.53 H new ATOM 0 HB3 LYS A 25 -21.040 15.216 17.503 1.00 53.53 H new ATOM 0 HG2 LYS A 25 -21.602 16.449 14.896 1.00 30.10 H new ATOM 0 HG3 LYS A 25 -22.805 15.257 15.345 1.00 30.10 H new ATOM 0 HD2 LYS A 25 -22.807 16.438 17.675 1.00 43.15 H new ATOM 0 HD3 LYS A 25 -21.983 17.750 16.856 1.00 43.15 H new ATOM 0 HE2 LYS A 25 -24.574 16.589 15.783 1.00 20.54 H new ATOM 0 HE3 LYS A 25 -24.571 17.844 17.007 1.00 20.54 H new ATOM 0 HZ1 LYS A 25 -24.752 18.777 14.795 1.00 60.15 H new ATOM 0 HZ2 LYS A 25 -23.291 19.261 15.511 1.00 60.15 H new ATOM 0 HZ3 LYS A 25 -23.294 18.046 14.325 1.00 60.15 H new ATOM 346 N ASN A 26 -18.636 17.679 16.306 1.00 54.23 N ATOM 347 CA ASN A 26 -18.087 18.797 17.065 1.00 30.02 C ATOM 348 C ASN A 26 -19.133 19.891 17.256 1.00 2.53 C ATOM 349 O ASN A 26 -19.945 20.150 16.367 1.00 23.31 O ATOM 350 CB ASN A 26 -16.858 19.368 16.355 1.00 24.14 C ATOM 351 CG ASN A 26 -16.017 18.291 15.698 1.00 33.53 C ATOM 352 OD1 ASN A 26 -16.201 17.974 14.522 1.00 61.23 O ATOM 353 ND2 ASN A 26 -15.087 17.722 16.456 1.00 61.32 N ATOM 0 H ASN A 26 -18.732 17.855 15.306 1.00 54.23 H new ATOM 0 HA ASN A 26 -17.791 18.427 18.047 1.00 30.02 H new ATOM 0 HB2 ASN A 26 -17.179 20.086 15.600 1.00 24.14 H new ATOM 0 HB3 ASN A 26 -16.247 19.914 17.074 1.00 24.14 H new ATOM 0 HD21 ASN A 26 -14.490 16.991 16.069 1.00 61.32 H new ATOM 0 HD22 ASN A 26 -14.969 18.016 17.426 1.00 61.32 H new ATOM 360 N THR A 27 -19.106 20.531 18.421 1.00 5.32 N ATOM 361 CA THR A 27 -20.052 21.597 18.728 1.00 60.30 C ATOM 362 C THR A 27 -19.695 22.287 20.040 1.00 41.52 C ATOM 363 O THR A 27 -19.040 21.703 20.901 1.00 71.32 O ATOM 364 CB THR A 27 -21.492 21.061 18.819 1.00 24.21 C ATOM 365 OG1 THR A 27 -21.483 19.629 18.815 1.00 21.40 O ATOM 366 CG2 THR A 27 -22.334 21.570 17.659 1.00 40.14 C ATOM 0 H THR A 27 -18.440 20.330 19.167 1.00 5.32 H new ATOM 0 HA THR A 27 -19.992 22.318 17.913 1.00 60.30 H new ATOM 0 HB THR A 27 -21.931 21.419 19.750 1.00 24.21 H new ATOM 0 HG1 THR A 27 -22.403 19.296 18.875 1.00 21.40 H new ATOM 0 HG21 THR A 27 -23.347 21.178 17.745 1.00 40.14 H new ATOM 0 HG22 THR A 27 -22.363 22.659 17.681 1.00 40.14 H new ATOM 0 HG23 THR A 27 -21.895 21.238 16.718 1.00 40.14 H new ATOM 374 N GLY A 28 -20.130 23.535 20.185 1.00 3.32 N ATOM 375 CA GLY A 28 -19.847 24.284 21.395 1.00 22.11 C ATOM 376 C GLY A 28 -18.475 24.929 21.369 1.00 61.42 C ATOM 377 O GLY A 28 -18.352 26.149 21.482 1.00 33.21 O ATOM 0 H GLY A 28 -20.674 24.041 19.486 1.00 3.32 H new ATOM 0 HA2 GLY A 28 -20.606 25.056 21.527 1.00 22.11 H new ATOM 0 HA3 GLY A 28 -19.916 23.618 22.255 1.00 22.11 H new ATOM 381 N THR A 29 -17.440 24.108 21.224 1.00 74.05 N ATOM 382 CA THR A 29 -16.070 24.605 21.187 1.00 53.14 C ATOM 383 C THR A 29 -15.890 25.640 20.084 1.00 45.32 C ATOM 384 O THR A 29 -16.673 25.694 19.134 1.00 52.12 O ATOM 385 CB THR A 29 -15.063 23.460 20.972 1.00 0.20 C ATOM 386 OG1 THR A 29 -15.678 22.398 20.235 1.00 65.42 O ATOM 387 CG2 THR A 29 -14.551 22.931 22.303 1.00 21.12 C ATOM 0 H THR A 29 -17.524 23.096 21.130 1.00 74.05 H new ATOM 0 HA THR A 29 -15.877 25.072 22.153 1.00 53.14 H new ATOM 0 HB THR A 29 -14.218 23.852 20.406 1.00 0.20 H new ATOM 0 HG1 THR A 29 -15.030 21.675 20.101 1.00 65.42 H new ATOM 0 HG21 THR A 29 -13.841 22.123 22.125 1.00 21.12 H new ATOM 0 HG22 THR A 29 -14.056 23.735 22.848 1.00 21.12 H new ATOM 0 HG23 THR A 29 -15.388 22.555 22.891 1.00 21.12 H new ATOM 395 N THR A 30 -14.854 26.462 20.213 1.00 55.30 N ATOM 396 CA THR A 30 -14.570 27.497 19.226 1.00 64.43 C ATOM 397 C THR A 30 -14.324 26.891 17.849 1.00 14.41 C ATOM 398 O THR A 30 -14.475 25.685 17.655 1.00 53.02 O ATOM 399 CB THR A 30 -13.346 28.339 19.630 1.00 74.01 C ATOM 400 OG1 THR A 30 -12.973 28.045 20.981 1.00 42.11 O ATOM 401 CG2 THR A 30 -13.642 29.825 19.493 1.00 15.00 C ATOM 0 H THR A 30 -14.197 26.431 20.992 1.00 55.30 H new ATOM 0 HA THR A 30 -15.447 28.143 19.185 1.00 64.43 H new ATOM 0 HB THR A 30 -12.522 28.085 18.963 1.00 74.01 H new ATOM 0 HG1 THR A 30 -12.193 28.583 21.229 1.00 42.11 H new ATOM 0 HG21 THR A 30 -12.763 30.400 19.784 1.00 15.00 H new ATOM 0 HG22 THR A 30 -13.897 30.051 18.458 1.00 15.00 H new ATOM 0 HG23 THR A 30 -14.479 30.090 20.139 1.00 15.00 H new ATOM 409 N SER A 31 -13.942 27.735 16.896 1.00 64.33 N ATOM 410 CA SER A 31 -13.677 27.283 15.535 1.00 20.54 C ATOM 411 C SER A 31 -12.709 26.103 15.533 1.00 72.52 C ATOM 412 O SER A 31 -11.644 26.159 16.150 1.00 31.42 O ATOM 413 CB SER A 31 -13.106 28.427 14.696 1.00 70.13 C ATOM 414 OG SER A 31 -11.714 28.579 14.921 1.00 64.33 O ATOM 0 H SER A 31 -13.809 28.736 17.041 1.00 64.33 H new ATOM 0 HA SER A 31 -14.621 26.958 15.097 1.00 20.54 H new ATOM 0 HB2 SER A 31 -13.288 28.233 13.639 1.00 70.13 H new ATOM 0 HB3 SER A 31 -13.621 29.355 14.943 1.00 70.13 H new ATOM 0 HG SER A 31 -11.374 27.799 15.406 1.00 64.33 H new ATOM 420 N LEU A 32 -13.086 25.037 14.837 1.00 73.45 N ATOM 421 CA LEU A 32 -12.252 23.843 14.754 1.00 31.12 C ATOM 422 C LEU A 32 -11.388 23.869 13.498 1.00 32.14 C ATOM 423 O LEU A 32 -11.405 24.838 12.740 1.00 43.15 O ATOM 424 CB LEU A 32 -13.123 22.586 14.763 1.00 3.43 C ATOM 425 CG LEU A 32 -12.961 21.664 15.972 1.00 72.20 C ATOM 426 CD1 LEU A 32 -13.840 22.132 17.121 1.00 71.43 C ATOM 427 CD2 LEU A 32 -13.293 20.228 15.595 1.00 34.02 C ATOM 0 H LEU A 32 -13.964 24.975 14.322 1.00 73.45 H new ATOM 0 HA LEU A 32 -11.595 23.827 15.624 1.00 31.12 H new ATOM 0 HB2 LEU A 32 -14.167 22.892 14.702 1.00 3.43 H new ATOM 0 HB3 LEU A 32 -12.906 22.012 13.862 1.00 3.43 H new ATOM 0 HG LEU A 32 -11.922 21.702 16.298 1.00 72.20 H new ATOM 0 HD11 LEU A 32 -13.712 21.464 17.973 1.00 71.43 H new ATOM 0 HD12 LEU A 32 -13.556 23.144 17.408 1.00 71.43 H new ATOM 0 HD13 LEU A 32 -14.884 22.124 16.807 1.00 71.43 H new ATOM 0 HD21 LEU A 32 -13.172 19.586 16.467 1.00 34.02 H new ATOM 0 HD22 LEU A 32 -14.323 20.173 15.244 1.00 34.02 H new ATOM 0 HD23 LEU A 32 -12.621 19.895 14.804 1.00 34.02 H new ATOM 439 N SER A 33 -10.635 22.794 13.281 1.00 21.50 N ATOM 440 CA SER A 33 -9.764 22.693 12.117 1.00 50.23 C ATOM 441 C SER A 33 -9.778 21.278 11.548 1.00 63.12 C ATOM 442 O SER A 33 -10.016 21.078 10.357 1.00 24.53 O ATOM 443 CB SER A 33 -8.334 23.091 12.488 1.00 45.50 C ATOM 444 OG SER A 33 -8.034 22.727 13.824 1.00 15.50 O ATOM 0 H SER A 33 -10.611 21.981 13.897 1.00 21.50 H new ATOM 0 HA SER A 33 -10.138 23.376 11.354 1.00 50.23 H new ATOM 0 HB2 SER A 33 -7.631 22.608 11.809 1.00 45.50 H new ATOM 0 HB3 SER A 33 -8.209 24.167 12.364 1.00 45.50 H new ATOM 0 HG SER A 33 -7.114 22.990 14.036 1.00 15.50 H new ATOM 450 N SER A 34 -9.520 20.298 12.409 1.00 52.01 N ATOM 451 CA SER A 34 -9.499 18.901 11.993 1.00 64.13 C ATOM 452 C SER A 34 -9.815 17.980 13.167 1.00 22.52 C ATOM 453 O SER A 34 -9.887 18.422 14.314 1.00 32.44 O ATOM 454 CB SER A 34 -8.133 18.543 11.403 1.00 63.34 C ATOM 455 OG SER A 34 -7.314 17.903 12.366 1.00 33.13 O ATOM 0 H SER A 34 -9.323 20.446 13.399 1.00 52.01 H new ATOM 0 HA SER A 34 -10.264 18.763 11.229 1.00 64.13 H new ATOM 0 HB2 SER A 34 -8.266 17.889 10.541 1.00 63.34 H new ATOM 0 HB3 SER A 34 -7.640 19.447 11.044 1.00 63.34 H new ATOM 0 HG SER A 34 -6.448 17.683 11.964 1.00 33.13 H new ATOM 461 N TRP A 35 -10.005 16.699 12.872 1.00 30.02 N ATOM 462 CA TRP A 35 -10.314 15.714 13.903 1.00 52.22 C ATOM 463 C TRP A 35 -9.409 14.494 13.779 1.00 75.14 C ATOM 464 O TRP A 35 -9.304 13.891 12.711 1.00 32.12 O ATOM 465 CB TRP A 35 -11.780 15.289 13.807 1.00 23.02 C ATOM 466 CG TRP A 35 -12.213 14.960 12.410 1.00 50.43 C ATOM 467 CD1 TRP A 35 -12.690 15.833 11.473 1.00 40.15 C ATOM 468 CD2 TRP A 35 -12.210 13.669 11.793 1.00 62.01 C ATOM 469 NE1 TRP A 35 -12.984 15.161 10.312 1.00 54.41 N ATOM 470 CE2 TRP A 35 -12.698 13.832 10.481 1.00 72.51 C ATOM 471 CE3 TRP A 35 -11.842 12.390 12.220 1.00 73.21 C ATOM 472 CZ2 TRP A 35 -12.827 12.764 9.597 1.00 51.21 C ATOM 473 CZ3 TRP A 35 -11.971 11.331 11.341 1.00 53.35 C ATOM 474 CH2 TRP A 35 -12.459 11.524 10.042 1.00 10.40 C ATOM 0 H TRP A 35 -9.951 16.318 11.927 1.00 30.02 H new ATOM 0 HA TRP A 35 -10.139 16.175 14.875 1.00 52.22 H new ATOM 0 HB2 TRP A 35 -11.941 14.419 14.444 1.00 23.02 H new ATOM 0 HB3 TRP A 35 -12.409 16.090 14.196 1.00 23.02 H new ATOM 0 HD1 TRP A 35 -12.817 16.895 11.623 1.00 40.15 H new ATOM 0 HE1 TRP A 35 -13.355 15.583 9.461 1.00 54.41 H new ATOM 0 HE3 TRP A 35 -11.464 12.232 13.219 1.00 73.21 H new ATOM 0 HZ2 TRP A 35 -13.204 12.909 8.596 1.00 51.21 H new ATOM 0 HZ3 TRP A 35 -11.691 10.338 11.661 1.00 53.35 H new ATOM 0 HH2 TRP A 35 -12.546 10.676 9.378 1.00 10.40 H new ATOM 485 N THR A 36 -8.753 14.135 14.879 1.00 24.35 N ATOM 486 CA THR A 36 -7.856 12.987 14.893 1.00 12.00 C ATOM 487 C THR A 36 -8.362 11.903 15.838 1.00 42.31 C ATOM 488 O THR A 36 -8.260 12.032 17.058 1.00 64.04 O ATOM 489 CB THR A 36 -6.430 13.394 15.314 1.00 25.32 C ATOM 490 OG1 THR A 36 -6.019 14.559 14.591 1.00 24.15 O ATOM 491 CG2 THR A 36 -5.447 12.260 15.061 1.00 4.32 C ATOM 0 H THR A 36 -8.827 14.623 15.771 1.00 24.35 H new ATOM 0 HA THR A 36 -7.830 12.595 13.876 1.00 12.00 H new ATOM 0 HB THR A 36 -6.439 13.615 16.381 1.00 25.32 H new ATOM 0 HG1 THR A 36 -5.113 14.812 14.866 1.00 24.15 H new ATOM 0 HG21 THR A 36 -4.447 12.570 15.366 1.00 4.32 H new ATOM 0 HG22 THR A 36 -5.746 11.384 15.636 1.00 4.32 H new ATOM 0 HG23 THR A 36 -5.442 12.013 13.999 1.00 4.32 H new ATOM 499 N VAL A 37 -8.909 10.834 15.267 1.00 41.43 N ATOM 500 CA VAL A 37 -9.431 9.727 16.059 1.00 41.43 C ATOM 501 C VAL A 37 -8.452 8.559 16.081 1.00 30.44 C ATOM 502 O VAL A 37 -8.211 7.919 15.058 1.00 3.34 O ATOM 503 CB VAL A 37 -10.786 9.238 15.516 1.00 15.45 C ATOM 504 CG1 VAL A 37 -10.691 8.952 14.024 1.00 72.54 C ATOM 505 CG2 VAL A 37 -11.250 8.004 16.274 1.00 71.44 C ATOM 0 H VAL A 37 -9.002 10.712 14.259 1.00 41.43 H new ATOM 0 HA VAL A 37 -9.569 10.101 17.074 1.00 41.43 H new ATOM 0 HB VAL A 37 -11.523 10.027 15.665 1.00 15.45 H new ATOM 0 HG11 VAL A 37 -11.658 8.607 13.657 1.00 72.54 H new ATOM 0 HG12 VAL A 37 -10.406 9.862 13.496 1.00 72.54 H new ATOM 0 HG13 VAL A 37 -9.941 8.181 13.848 1.00 72.54 H new ATOM 0 HG21 VAL A 37 -12.209 7.672 15.877 1.00 71.44 H new ATOM 0 HG22 VAL A 37 -10.514 7.208 16.158 1.00 71.44 H new ATOM 0 HG23 VAL A 37 -11.359 8.246 17.331 1.00 71.44 H new ATOM 515 N GLU A 38 -7.891 8.286 17.255 1.00 11.52 N ATOM 516 CA GLU A 38 -6.938 7.193 17.410 1.00 12.22 C ATOM 517 C GLU A 38 -7.265 6.356 18.643 1.00 2.02 C ATOM 518 O GLU A 38 -7.655 6.888 19.682 1.00 51.22 O ATOM 519 CB GLU A 38 -5.513 7.741 17.515 1.00 12.21 C ATOM 520 CG GLU A 38 -5.200 8.365 18.864 1.00 51.43 C ATOM 521 CD GLU A 38 -3.798 8.940 18.930 1.00 72.20 C ATOM 522 OE1 GLU A 38 -3.170 9.094 17.861 1.00 22.12 O ATOM 523 OE2 GLU A 38 -3.329 9.234 20.049 1.00 13.21 O ATOM 0 H GLU A 38 -8.080 8.806 18.112 1.00 11.52 H new ATOM 0 HA GLU A 38 -7.010 6.554 16.530 1.00 12.22 H new ATOM 0 HB2 GLU A 38 -4.807 6.933 17.325 1.00 12.21 H new ATOM 0 HB3 GLU A 38 -5.361 8.487 16.735 1.00 12.21 H new ATOM 0 HG2 GLU A 38 -5.922 9.154 19.071 1.00 51.43 H new ATOM 0 HG3 GLU A 38 -5.317 7.613 19.644 1.00 51.43 H new ATOM 530 N TRP A 39 -7.104 5.043 18.518 1.00 41.13 N ATOM 531 CA TRP A 39 -7.383 4.131 19.622 1.00 61.34 C ATOM 532 C TRP A 39 -6.307 3.057 19.725 1.00 70.32 C ATOM 533 O TRP A 39 -5.465 2.921 18.838 1.00 0.24 O ATOM 534 CB TRP A 39 -8.756 3.481 19.439 1.00 13.43 C ATOM 535 CG TRP A 39 -9.466 3.932 18.200 1.00 3.45 C ATOM 536 CD1 TRP A 39 -10.549 4.760 18.131 1.00 44.03 C ATOM 537 CD2 TRP A 39 -9.143 3.578 16.850 1.00 44.31 C ATOM 538 NE1 TRP A 39 -10.921 4.943 16.821 1.00 50.10 N ATOM 539 CE2 TRP A 39 -10.073 4.229 16.015 1.00 0.21 C ATOM 540 CE3 TRP A 39 -8.159 2.777 16.266 1.00 3.44 C ATOM 541 CZ2 TRP A 39 -10.046 4.101 14.629 1.00 60.23 C ATOM 542 CZ3 TRP A 39 -8.133 2.651 14.889 1.00 22.33 C ATOM 543 CH2 TRP A 39 -9.072 3.310 14.083 1.00 71.32 C ATOM 0 H TRP A 39 -6.782 4.587 17.664 1.00 41.13 H new ATOM 0 HA TRP A 39 -7.383 4.708 20.547 1.00 61.34 H new ATOM 0 HB2 TRP A 39 -8.636 2.398 19.406 1.00 13.43 H new ATOM 0 HB3 TRP A 39 -9.376 3.707 20.307 1.00 13.43 H new ATOM 0 HD1 TRP A 39 -11.042 5.206 18.982 1.00 44.03 H new ATOM 0 HE1 TRP A 39 -11.701 5.517 16.501 1.00 50.10 H new ATOM 0 HE3 TRP A 39 -7.432 2.265 16.879 1.00 3.44 H new ATOM 0 HZ2 TRP A 39 -10.768 4.608 14.007 1.00 60.23 H new ATOM 0 HZ3 TRP A 39 -7.376 2.034 14.427 1.00 22.33 H new ATOM 0 HH2 TRP A 39 -9.026 3.191 13.011 1.00 71.32 H new ATOM 554 N ASP A 40 -6.340 2.295 20.814 1.00 53.44 N ATOM 555 CA ASP A 40 -5.366 1.231 21.032 1.00 64.11 C ATOM 556 C ASP A 40 -5.943 -0.123 20.633 1.00 1.14 C ATOM 557 O ASP A 40 -7.031 -0.500 21.070 1.00 32.21 O ATOM 558 CB ASP A 40 -4.932 1.202 22.499 1.00 0.23 C ATOM 559 CG ASP A 40 -3.455 0.901 22.659 1.00 1.25 C ATOM 560 OD1 ASP A 40 -3.068 -0.275 22.495 1.00 53.51 O ATOM 561 OD2 ASP A 40 -2.687 1.842 22.948 1.00 12.22 O ATOM 0 H ASP A 40 -7.030 2.394 21.559 1.00 53.44 H new ATOM 0 HA ASP A 40 -4.496 1.434 20.407 1.00 64.11 H new ATOM 0 HB2 ASP A 40 -5.156 2.164 22.960 1.00 0.23 H new ATOM 0 HB3 ASP A 40 -5.513 0.450 23.032 1.00 0.23 H new ATOM 566 N PHE A 41 -5.209 -0.850 19.797 1.00 51.55 N ATOM 567 CA PHE A 41 -5.648 -2.162 19.336 1.00 43.43 C ATOM 568 C PHE A 41 -4.747 -3.262 19.886 1.00 13.20 C ATOM 569 O PHE A 41 -3.888 -3.802 19.189 1.00 53.22 O ATOM 570 CB PHE A 41 -5.657 -2.211 17.806 1.00 71.34 C ATOM 571 CG PHE A 41 -6.980 -1.838 17.202 1.00 45.33 C ATOM 572 CD1 PHE A 41 -8.159 -2.370 17.700 1.00 51.24 C ATOM 573 CD2 PHE A 41 -7.046 -0.956 16.135 1.00 64.31 C ATOM 574 CE1 PHE A 41 -9.379 -2.029 17.146 1.00 74.04 C ATOM 575 CE2 PHE A 41 -8.263 -0.610 15.578 1.00 74.42 C ATOM 576 CZ PHE A 41 -9.430 -1.148 16.084 1.00 4.12 C ATOM 0 H PHE A 41 -4.307 -0.553 19.425 1.00 51.55 H new ATOM 0 HA PHE A 41 -6.660 -2.329 19.704 1.00 43.43 H new ATOM 0 HB2 PHE A 41 -4.890 -1.537 17.424 1.00 71.34 H new ATOM 0 HB3 PHE A 41 -5.389 -3.216 17.481 1.00 71.34 H new ATOM 0 HD1 PHE A 41 -8.124 -3.059 18.531 1.00 51.24 H new ATOM 0 HD2 PHE A 41 -6.136 -0.534 15.734 1.00 64.31 H new ATOM 0 HE1 PHE A 41 -10.290 -2.451 17.543 1.00 74.04 H new ATOM 0 HE2 PHE A 41 -8.301 0.080 14.748 1.00 74.42 H new ATOM 0 HZ PHE A 41 -10.382 -0.880 15.649 1.00 4.12 H new ATOM 586 N PRO A 42 -4.944 -3.602 21.168 1.00 62.33 N ATOM 587 CA PRO A 42 -4.159 -4.641 21.841 1.00 44.15 C ATOM 588 C PRO A 42 -4.476 -6.038 21.320 1.00 45.52 C ATOM 589 O PRO A 42 -3.575 -6.807 20.983 1.00 54.43 O ATOM 590 CB PRO A 42 -4.581 -4.509 23.307 1.00 34.21 C ATOM 591 CG PRO A 42 -5.943 -3.908 23.258 1.00 14.43 C ATOM 592 CD PRO A 42 -5.950 -3.000 22.059 1.00 2.22 C ATOM 0 HA PRO A 42 -3.089 -4.513 21.677 1.00 44.15 H new ATOM 0 HB2 PRO A 42 -4.594 -5.479 23.804 1.00 34.21 H new ATOM 0 HB3 PRO A 42 -3.889 -3.876 23.862 1.00 34.21 H new ATOM 0 HG2 PRO A 42 -6.707 -4.680 23.168 1.00 14.43 H new ATOM 0 HG3 PRO A 42 -6.158 -3.352 24.170 1.00 14.43 H new ATOM 0 HD2 PRO A 42 -6.933 -2.963 21.589 1.00 2.22 H new ATOM 0 HD3 PRO A 42 -5.687 -1.977 22.328 1.00 2.22 H new ATOM 600 N THR A 43 -5.765 -6.362 21.254 1.00 54.44 N ATOM 601 CA THR A 43 -6.200 -7.666 20.773 1.00 33.43 C ATOM 602 C THR A 43 -6.019 -7.786 19.264 1.00 54.23 C ATOM 603 O THR A 43 -6.181 -6.812 18.531 1.00 2.53 O ATOM 604 CB THR A 43 -7.677 -7.929 21.123 1.00 70.24 C ATOM 605 OG1 THR A 43 -8.278 -6.736 21.639 1.00 21.13 O ATOM 606 CG2 THR A 43 -7.800 -9.049 22.146 1.00 63.13 C ATOM 0 H THR A 43 -6.524 -5.738 21.528 1.00 54.44 H new ATOM 0 HA THR A 43 -5.577 -8.409 21.271 1.00 33.43 H new ATOM 0 HB THR A 43 -8.195 -8.232 20.213 1.00 70.24 H new ATOM 0 HG1 THR A 43 -9.217 -6.911 21.857 1.00 21.13 H new ATOM 0 HG21 THR A 43 -8.852 -9.217 22.377 1.00 63.13 H new ATOM 0 HG22 THR A 43 -7.368 -9.963 21.738 1.00 63.13 H new ATOM 0 HG23 THR A 43 -7.268 -8.771 23.056 1.00 63.13 H new ATOM 614 N GLY A 44 -5.680 -8.988 18.807 1.00 25.13 N ATOM 615 CA GLY A 44 -5.482 -9.212 17.387 1.00 3.25 C ATOM 616 C GLY A 44 -6.451 -8.416 16.534 1.00 52.32 C ATOM 617 O GLY A 44 -7.597 -8.821 16.339 1.00 14.25 O ATOM 0 H GLY A 44 -5.539 -9.810 19.395 1.00 25.13 H new ATOM 0 HA2 GLY A 44 -4.460 -8.943 17.119 1.00 3.25 H new ATOM 0 HA3 GLY A 44 -5.599 -10.274 17.170 1.00 3.25 H new ATOM 621 N THR A 45 -5.990 -7.278 16.024 1.00 50.14 N ATOM 622 CA THR A 45 -6.824 -6.422 15.190 1.00 54.40 C ATOM 623 C THR A 45 -5.973 -5.572 14.252 1.00 64.04 C ATOM 624 O THR A 45 -4.817 -5.271 14.548 1.00 41.52 O ATOM 625 CB THR A 45 -7.709 -5.495 16.044 1.00 51.33 C ATOM 626 OG1 THR A 45 -6.924 -4.874 17.068 1.00 51.02 O ATOM 627 CG2 THR A 45 -8.853 -6.272 16.676 1.00 60.13 C ATOM 0 H THR A 45 -5.044 -6.928 16.174 1.00 50.14 H new ATOM 0 HA THR A 45 -7.463 -7.080 14.601 1.00 54.40 H new ATOM 0 HB THR A 45 -8.128 -4.728 15.393 1.00 51.33 H new ATOM 0 HG1 THR A 45 -7.251 -3.964 17.224 1.00 51.02 H new ATOM 0 HG21 THR A 45 -9.465 -5.597 17.274 1.00 60.13 H new ATOM 0 HG22 THR A 45 -9.466 -6.719 15.893 1.00 60.13 H new ATOM 0 HG23 THR A 45 -8.450 -7.058 17.314 1.00 60.13 H new ATOM 635 N LYS A 46 -6.554 -5.185 13.121 1.00 34.35 N ATOM 636 CA LYS A 46 -5.851 -4.367 12.141 1.00 0.42 C ATOM 637 C LYS A 46 -6.789 -3.937 11.017 1.00 25.32 C ATOM 638 O LYS A 46 -7.508 -4.758 10.447 1.00 70.55 O ATOM 639 CB LYS A 46 -4.663 -5.139 11.560 1.00 2.13 C ATOM 640 CG LYS A 46 -5.019 -6.539 11.090 1.00 61.13 C ATOM 641 CD LYS A 46 -3.787 -7.304 10.636 1.00 2.51 C ATOM 642 CE LYS A 46 -2.829 -7.554 11.790 1.00 32.44 C ATOM 643 NZ LYS A 46 -1.967 -8.744 11.547 1.00 21.22 N ATOM 0 H LYS A 46 -7.511 -5.425 12.861 1.00 34.35 H new ATOM 0 HA LYS A 46 -5.485 -3.474 12.647 1.00 0.42 H new ATOM 0 HB2 LYS A 46 -4.250 -4.577 10.722 1.00 2.13 H new ATOM 0 HB3 LYS A 46 -3.880 -5.206 12.315 1.00 2.13 H new ATOM 0 HG2 LYS A 46 -5.508 -7.082 11.899 1.00 61.13 H new ATOM 0 HG3 LYS A 46 -5.734 -6.478 10.269 1.00 61.13 H new ATOM 0 HD2 LYS A 46 -4.089 -8.256 10.200 1.00 2.51 H new ATOM 0 HD3 LYS A 46 -3.277 -6.742 9.853 1.00 2.51 H new ATOM 0 HE2 LYS A 46 -2.202 -6.675 11.938 1.00 32.44 H new ATOM 0 HE3 LYS A 46 -3.397 -7.699 12.709 1.00 32.44 H new ATOM 0 HZ1 LYS A 46 -1.328 -8.881 12.356 1.00 21.22 H new ATOM 0 HZ2 LYS A 46 -2.564 -9.587 11.431 1.00 21.22 H new ATOM 0 HZ3 LYS A 46 -1.406 -8.596 10.684 1.00 21.22 H new ATOM 657 N VAL A 47 -6.777 -2.645 10.704 1.00 13.34 N ATOM 658 CA VAL A 47 -7.625 -2.108 9.647 1.00 63.22 C ATOM 659 C VAL A 47 -7.049 -2.414 8.269 1.00 75.21 C ATOM 660 O VAL A 47 -6.055 -1.817 7.853 1.00 15.35 O ATOM 661 CB VAL A 47 -7.801 -0.584 9.791 1.00 11.23 C ATOM 662 CG1 VAL A 47 -8.602 -0.026 8.623 1.00 74.10 C ATOM 663 CG2 VAL A 47 -8.470 -0.248 11.114 1.00 74.44 C ATOM 0 H VAL A 47 -6.190 -1.952 11.167 1.00 13.34 H new ATOM 0 HA VAL A 47 -8.597 -2.591 9.745 1.00 63.22 H new ATOM 0 HB VAL A 47 -6.815 -0.119 9.780 1.00 11.23 H new ATOM 0 HG11 VAL A 47 -8.716 1.051 8.742 1.00 74.10 H new ATOM 0 HG12 VAL A 47 -8.078 -0.235 7.690 1.00 74.10 H new ATOM 0 HG13 VAL A 47 -9.586 -0.495 8.600 1.00 74.10 H new ATOM 0 HG21 VAL A 47 -8.586 0.832 11.199 1.00 74.44 H new ATOM 0 HG22 VAL A 47 -9.450 -0.723 11.157 1.00 74.44 H new ATOM 0 HG23 VAL A 47 -7.854 -0.612 11.936 1.00 74.44 H new ATOM 673 N THR A 48 -7.679 -3.348 7.564 1.00 21.42 N ATOM 674 CA THR A 48 -7.229 -3.735 6.233 1.00 12.12 C ATOM 675 C THR A 48 -7.325 -2.567 5.259 1.00 24.13 C ATOM 676 O THR A 48 -6.376 -2.272 4.532 1.00 44.11 O ATOM 677 CB THR A 48 -8.050 -4.917 5.684 1.00 1.23 C ATOM 678 OG1 THR A 48 -8.506 -5.741 6.763 1.00 50.24 O ATOM 679 CG2 THR A 48 -7.221 -5.749 4.718 1.00 34.40 C ATOM 0 H THR A 48 -8.503 -3.851 7.893 1.00 21.42 H new ATOM 0 HA THR A 48 -6.187 -4.040 6.328 1.00 12.12 H new ATOM 0 HB THR A 48 -8.909 -4.515 5.147 1.00 1.23 H new ATOM 0 HG1 THR A 48 -9.028 -6.489 6.405 1.00 50.24 H new ATOM 0 HG21 THR A 48 -7.822 -6.578 4.343 1.00 34.40 H new ATOM 0 HG22 THR A 48 -6.901 -5.126 3.883 1.00 34.40 H new ATOM 0 HG23 THR A 48 -6.345 -6.141 5.235 1.00 34.40 H new ATOM 687 N SER A 49 -8.478 -1.904 5.250 1.00 1.32 N ATOM 688 CA SER A 49 -8.699 -0.769 4.361 1.00 61.32 C ATOM 689 C SER A 49 -9.604 0.268 5.020 1.00 70.33 C ATOM 690 O SER A 49 -10.442 -0.066 5.857 1.00 3.12 O ATOM 691 CB SER A 49 -9.318 -1.239 3.044 1.00 24.03 C ATOM 692 OG SER A 49 -8.316 -1.609 2.112 1.00 20.12 O ATOM 0 H SER A 49 -9.272 -2.133 5.848 1.00 1.32 H new ATOM 0 HA SER A 49 -7.734 -0.306 4.156 1.00 61.32 H new ATOM 0 HB2 SER A 49 -9.976 -2.087 3.231 1.00 24.03 H new ATOM 0 HB3 SER A 49 -9.934 -0.444 2.624 1.00 24.03 H new ATOM 0 HG SER A 49 -7.515 -1.905 2.593 1.00 20.12 H new ATOM 698 N ALA A 50 -9.427 1.528 4.635 1.00 71.54 N ATOM 699 CA ALA A 50 -10.227 2.614 5.187 1.00 33.22 C ATOM 700 C ALA A 50 -10.558 3.650 4.117 1.00 10.13 C ATOM 701 O ALA A 50 -9.883 3.733 3.091 1.00 71.01 O ATOM 702 CB ALA A 50 -9.498 3.269 6.350 1.00 20.52 C ATOM 0 H ALA A 50 -8.737 1.821 3.943 1.00 71.54 H new ATOM 0 HA ALA A 50 -11.164 2.193 5.551 1.00 33.22 H new ATOM 0 HB1 ALA A 50 -10.108 4.078 6.752 1.00 20.52 H new ATOM 0 HB2 ALA A 50 -9.318 2.529 7.130 1.00 20.52 H new ATOM 0 HB3 ALA A 50 -8.546 3.670 6.003 1.00 20.52 H new ATOM 708 N TRP A 51 -11.600 4.434 4.363 1.00 2.31 N ATOM 709 CA TRP A 51 -12.020 5.464 3.420 1.00 45.44 C ATOM 710 C TRP A 51 -12.501 6.712 4.153 1.00 54.25 C ATOM 711 O TRP A 51 -13.095 6.621 5.227 1.00 62.21 O ATOM 712 CB TRP A 51 -13.132 4.932 2.513 1.00 43.14 C ATOM 713 CG TRP A 51 -14.225 4.231 3.262 1.00 13.20 C ATOM 714 CD1 TRP A 51 -15.188 4.809 4.037 1.00 64.42 C ATOM 715 CD2 TRP A 51 -14.463 2.820 3.308 1.00 72.01 C ATOM 716 NE1 TRP A 51 -16.012 3.843 4.563 1.00 45.40 N ATOM 717 CE2 TRP A 51 -15.589 2.614 4.130 1.00 1.00 C ATOM 718 CE3 TRP A 51 -13.837 1.710 2.734 1.00 5.12 C ATOM 719 CZ2 TRP A 51 -16.098 1.345 4.389 1.00 65.34 C ATOM 720 CZ3 TRP A 51 -14.344 0.451 2.993 1.00 20.01 C ATOM 721 CH2 TRP A 51 -15.465 0.277 3.814 1.00 24.32 C ATOM 0 H TRP A 51 -12.170 4.377 5.207 1.00 2.31 H new ATOM 0 HA TRP A 51 -11.158 5.733 2.809 1.00 45.44 H new ATOM 0 HB2 TRP A 51 -13.561 5.762 1.951 1.00 43.14 H new ATOM 0 HB3 TRP A 51 -12.700 4.244 1.786 1.00 43.14 H new ATOM 0 HD1 TRP A 51 -15.288 5.870 4.211 1.00 64.42 H new ATOM 0 HE1 TRP A 51 -16.809 4.013 5.176 1.00 45.40 H new ATOM 0 HE3 TRP A 51 -12.972 1.834 2.099 1.00 5.12 H new ATOM 0 HZ2 TRP A 51 -16.962 1.208 5.022 1.00 65.34 H new ATOM 0 HZ3 TRP A 51 -13.868 -0.414 2.555 1.00 20.01 H new ATOM 0 HH2 TRP A 51 -15.837 -0.720 3.997 1.00 24.32 H new ATOM 732 N ASP A 52 -12.238 7.875 3.568 1.00 1.43 N ATOM 733 CA ASP A 52 -12.645 9.141 4.166 1.00 51.22 C ATOM 734 C ASP A 52 -11.917 9.377 5.486 1.00 45.33 C ATOM 735 O ASP A 52 -12.296 10.248 6.267 1.00 73.35 O ATOM 736 CB ASP A 52 -14.157 9.160 4.393 1.00 5.10 C ATOM 737 CG ASP A 52 -14.721 10.567 4.420 1.00 43.21 C ATOM 738 OD1 ASP A 52 -14.801 11.195 3.344 1.00 43.40 O ATOM 739 OD2 ASP A 52 -15.083 11.040 5.517 1.00 71.15 O ATOM 0 H ASP A 52 -11.745 7.967 2.680 1.00 1.43 H new ATOM 0 HA ASP A 52 -12.379 9.942 3.476 1.00 51.22 H new ATOM 0 HB2 ASP A 52 -14.647 8.590 3.603 1.00 5.10 H new ATOM 0 HB3 ASP A 52 -14.386 8.662 5.335 1.00 5.10 H new ATOM 744 N ALA A 53 -10.870 8.595 5.727 1.00 33.04 N ATOM 745 CA ALA A 53 -10.089 8.718 6.951 1.00 42.43 C ATOM 746 C ALA A 53 -8.850 7.831 6.904 1.00 44.13 C ATOM 747 O ALA A 53 -8.914 6.641 7.216 1.00 55.25 O ATOM 748 CB ALA A 53 -10.944 8.371 8.160 1.00 1.21 C ATOM 0 H ALA A 53 -10.543 7.869 5.090 1.00 33.04 H new ATOM 0 HA ALA A 53 -9.759 9.753 7.039 1.00 42.43 H new ATOM 0 HB1 ALA A 53 -10.347 8.467 9.067 1.00 1.21 H new ATOM 0 HB2 ALA A 53 -11.795 9.051 8.211 1.00 1.21 H new ATOM 0 HB3 ALA A 53 -11.304 7.346 8.069 1.00 1.21 H new ATOM 754 N THR A 54 -7.723 8.416 6.510 1.00 72.32 N ATOM 755 CA THR A 54 -6.469 7.678 6.421 1.00 33.31 C ATOM 756 C THR A 54 -6.083 7.084 7.771 1.00 52.21 C ATOM 757 O THR A 54 -5.501 7.765 8.616 1.00 70.31 O ATOM 758 CB THR A 54 -5.323 8.576 5.920 1.00 50.23 C ATOM 759 OG1 THR A 54 -5.752 9.331 4.782 1.00 23.52 O ATOM 760 CG2 THR A 54 -4.104 7.743 5.553 1.00 2.43 C ATOM 0 H THR A 54 -7.653 9.399 6.247 1.00 72.32 H new ATOM 0 HA THR A 54 -6.627 6.871 5.705 1.00 33.31 H new ATOM 0 HB THR A 54 -5.048 9.259 6.724 1.00 50.23 H new ATOM 0 HG1 THR A 54 -5.017 9.900 4.471 1.00 23.52 H new ATOM 0 HG21 THR A 54 -3.307 8.399 5.202 1.00 2.43 H new ATOM 0 HG22 THR A 54 -3.761 7.193 6.430 1.00 2.43 H new ATOM 0 HG23 THR A 54 -4.369 7.039 4.764 1.00 2.43 H new ATOM 768 N VAL A 55 -6.408 5.811 7.968 1.00 23.53 N ATOM 769 CA VAL A 55 -6.093 5.125 9.215 1.00 23.23 C ATOM 770 C VAL A 55 -4.751 4.408 9.124 1.00 75.04 C ATOM 771 O VAL A 55 -4.601 3.439 8.380 1.00 72.33 O ATOM 772 CB VAL A 55 -7.185 4.103 9.585 1.00 34.05 C ATOM 773 CG1 VAL A 55 -6.930 3.526 10.969 1.00 2.31 C ATOM 774 CG2 VAL A 55 -8.562 4.744 9.510 1.00 72.32 C ATOM 0 H VAL A 55 -6.890 5.233 7.279 1.00 23.53 H new ATOM 0 HA VAL A 55 -6.042 5.888 9.992 1.00 23.23 H new ATOM 0 HB VAL A 55 -7.151 3.285 8.865 1.00 34.05 H new ATOM 0 HG11 VAL A 55 -7.711 2.806 11.213 1.00 2.31 H new ATOM 0 HG12 VAL A 55 -5.961 3.028 10.982 1.00 2.31 H new ATOM 0 HG13 VAL A 55 -6.935 4.330 11.705 1.00 2.31 H new ATOM 0 HG21 VAL A 55 -9.321 4.008 9.774 1.00 72.32 H new ATOM 0 HG22 VAL A 55 -8.612 5.582 10.205 1.00 72.32 H new ATOM 0 HG23 VAL A 55 -8.742 5.102 8.496 1.00 72.32 H new ATOM 784 N THR A 56 -3.775 4.891 9.887 1.00 42.41 N ATOM 785 CA THR A 56 -2.444 4.298 9.893 1.00 50.13 C ATOM 786 C THR A 56 -2.234 3.430 11.128 1.00 22.41 C ATOM 787 O THR A 56 -3.091 3.371 12.009 1.00 73.21 O ATOM 788 CB THR A 56 -1.347 5.379 9.847 1.00 30.35 C ATOM 789 OG1 THR A 56 -0.069 4.770 9.637 1.00 73.13 O ATOM 790 CG2 THR A 56 -1.326 6.183 11.138 1.00 21.32 C ATOM 0 H THR A 56 -3.882 5.692 10.509 1.00 42.41 H new ATOM 0 HA THR A 56 -2.371 3.678 9.000 1.00 50.13 H new ATOM 0 HB THR A 56 -1.567 6.055 9.021 1.00 30.35 H new ATOM 0 HG1 THR A 56 0.623 5.463 9.607 1.00 73.13 H new ATOM 0 HG21 THR A 56 -0.544 6.940 11.082 1.00 21.32 H new ATOM 0 HG22 THR A 56 -2.291 6.669 11.280 1.00 21.32 H new ATOM 0 HG23 THR A 56 -1.128 5.517 11.978 1.00 21.32 H new ATOM 798 N ASN A 57 -1.090 2.757 11.185 1.00 3.40 N ATOM 799 CA ASN A 57 -0.768 1.891 12.313 1.00 64.21 C ATOM 800 C ASN A 57 0.656 2.140 12.801 1.00 71.13 C ATOM 801 O ASN A 57 1.498 2.642 12.058 1.00 53.13 O ATOM 802 CB ASN A 57 -0.935 0.422 11.919 1.00 73.03 C ATOM 803 CG ASN A 57 0.293 -0.133 11.222 1.00 71.24 C ATOM 804 OD1 ASN A 57 1.190 -0.682 11.862 1.00 63.22 O ATOM 805 ND2 ASN A 57 0.338 0.011 9.902 1.00 71.40 N ATOM 0 H ASN A 57 -0.370 2.795 10.463 1.00 3.40 H new ATOM 0 HA ASN A 57 -1.457 2.123 13.125 1.00 64.21 H new ATOM 0 HB2 ASN A 57 -1.142 -0.169 12.811 1.00 73.03 H new ATOM 0 HB3 ASN A 57 -1.799 0.321 11.262 1.00 73.03 H new ATOM 0 HD21 ASN A 57 1.139 -0.340 9.378 1.00 71.40 H new ATOM 0 HD22 ASN A 57 -0.429 0.473 9.413 1.00 71.40 H new ATOM 812 N SER A 58 0.916 1.784 14.056 1.00 12.22 N ATOM 813 CA SER A 58 2.237 1.971 14.644 1.00 61.12 C ATOM 814 C SER A 58 2.434 1.047 15.842 1.00 70.34 C ATOM 815 O SER A 58 2.200 1.436 16.986 1.00 54.24 O ATOM 816 CB SER A 58 2.425 3.428 15.073 1.00 71.43 C ATOM 817 OG SER A 58 2.419 4.294 13.952 1.00 41.24 O ATOM 0 H SER A 58 0.230 1.365 14.684 1.00 12.22 H new ATOM 0 HA SER A 58 2.983 1.722 13.889 1.00 61.12 H new ATOM 0 HB2 SER A 58 1.629 3.713 15.761 1.00 71.43 H new ATOM 0 HB3 SER A 58 3.366 3.533 15.613 1.00 71.43 H new ATOM 0 HG SER A 58 2.396 3.763 13.129 1.00 41.24 H new ATOM 823 N GLY A 59 2.866 -0.180 15.570 1.00 64.40 N ATOM 824 CA GLY A 59 3.086 -1.142 16.634 1.00 53.43 C ATOM 825 C GLY A 59 1.793 -1.716 17.174 1.00 71.34 C ATOM 826 O GLY A 59 1.281 -2.709 16.655 1.00 74.24 O ATOM 0 H GLY A 59 3.068 -0.525 14.632 1.00 64.40 H new ATOM 0 HA2 GLY A 59 3.712 -1.953 16.262 1.00 53.43 H new ATOM 0 HA3 GLY A 59 3.634 -0.662 17.445 1.00 53.43 H new ATOM 830 N ASP A 60 1.262 -1.093 18.221 1.00 34.14 N ATOM 831 CA ASP A 60 0.019 -1.549 18.833 1.00 52.25 C ATOM 832 C ASP A 60 -0.990 -0.409 18.926 1.00 61.14 C ATOM 833 O ASP A 60 -2.015 -0.527 19.599 1.00 52.35 O ATOM 834 CB ASP A 60 0.291 -2.120 20.225 1.00 74.24 C ATOM 835 CG ASP A 60 1.483 -3.057 20.245 1.00 40.52 C ATOM 836 OD1 ASP A 60 1.679 -3.789 19.252 1.00 15.43 O ATOM 837 OD2 ASP A 60 2.222 -3.056 21.251 1.00 63.42 O ATOM 0 H ASP A 60 1.673 -0.271 18.663 1.00 34.14 H new ATOM 0 HA ASP A 60 -0.402 -2.333 18.203 1.00 52.25 H new ATOM 0 HB2 ASP A 60 0.465 -1.301 20.923 1.00 74.24 H new ATOM 0 HB3 ASP A 60 -0.593 -2.654 20.574 1.00 74.24 H new ATOM 842 N HIS A 61 -0.695 0.694 18.246 1.00 13.31 N ATOM 843 CA HIS A 61 -1.576 1.856 18.252 1.00 20.30 C ATOM 844 C HIS A 61 -2.040 2.193 16.838 1.00 42.13 C ATOM 845 O HIS A 61 -1.304 1.998 15.870 1.00 64.33 O ATOM 846 CB HIS A 61 -0.864 3.059 18.870 1.00 44.54 C ATOM 847 CG HIS A 61 -1.676 4.318 18.834 1.00 54.24 C ATOM 848 ND1 HIS A 61 -2.521 4.698 19.855 1.00 63.04 N ATOM 849 CD2 HIS A 61 -1.766 5.287 17.893 1.00 42.43 C ATOM 850 CE1 HIS A 61 -3.097 5.845 19.544 1.00 0.31 C ATOM 851 NE2 HIS A 61 -2.656 6.224 18.358 1.00 44.50 N ATOM 0 H HIS A 61 0.148 0.808 17.683 1.00 13.31 H new ATOM 0 HA HIS A 61 -2.452 1.615 18.854 1.00 20.30 H new ATOM 0 HB2 HIS A 61 -0.611 2.829 19.905 1.00 44.54 H new ATOM 0 HB3 HIS A 61 0.075 3.226 18.342 1.00 44.54 H new ATOM 0 HD1 HIS A 61 -2.677 4.175 20.717 1.00 63.04 H new ATOM 0 HD2 HIS A 61 -1.237 5.318 16.952 1.00 42.43 H new ATOM 0 HE1 HIS A 61 -3.808 6.382 20.155 1.00 0.31 H new ATOM 859 N TRP A 62 -3.262 2.701 16.727 1.00 52.42 N ATOM 860 CA TRP A 62 -3.823 3.065 15.431 1.00 24.11 C ATOM 861 C TRP A 62 -4.461 4.448 15.483 1.00 64.23 C ATOM 862 O TRP A 62 -5.074 4.825 16.484 1.00 35.35 O ATOM 863 CB TRP A 62 -4.859 2.028 14.992 1.00 54.43 C ATOM 864 CG TRP A 62 -4.250 0.739 14.530 1.00 1.22 C ATOM 865 CD1 TRP A 62 -3.625 -0.196 15.304 1.00 23.23 C ATOM 866 CD2 TRP A 62 -4.205 0.245 13.186 1.00 42.31 C ATOM 867 NE1 TRP A 62 -3.196 -1.242 14.523 1.00 15.11 N ATOM 868 CE2 TRP A 62 -3.540 -0.996 13.220 1.00 22.20 C ATOM 869 CE3 TRP A 62 -4.665 0.729 11.959 1.00 40.23 C ATOM 870 CZ2 TRP A 62 -3.323 -1.755 12.074 1.00 72.22 C ATOM 871 CZ3 TRP A 62 -4.449 -0.025 10.821 1.00 33.50 C ATOM 872 CH2 TRP A 62 -3.784 -1.257 10.886 1.00 33.01 C ATOM 0 H TRP A 62 -3.883 2.870 17.518 1.00 52.42 H new ATOM 0 HA TRP A 62 -3.011 3.088 14.705 1.00 24.11 H new ATOM 0 HB2 TRP A 62 -5.534 1.825 15.823 1.00 54.43 H new ATOM 0 HB3 TRP A 62 -5.462 2.446 14.186 1.00 54.43 H new ATOM 0 HD1 TRP A 62 -3.488 -0.124 16.373 1.00 23.23 H new ATOM 0 HE1 TRP A 62 -2.701 -2.068 14.859 1.00 15.11 H new ATOM 0 HE3 TRP A 62 -5.181 1.676 11.901 1.00 40.23 H new ATOM 0 HZ2 TRP A 62 -2.809 -2.704 12.121 1.00 72.22 H new ATOM 0 HZ3 TRP A 62 -4.798 0.341 9.867 1.00 33.50 H new ATOM 0 HH2 TRP A 62 -3.632 -1.825 9.980 1.00 33.01 H new ATOM 883 N THR A 63 -4.315 5.204 14.400 1.00 65.35 N ATOM 884 CA THR A 63 -4.877 6.548 14.323 1.00 72.53 C ATOM 885 C THR A 63 -5.438 6.830 12.935 1.00 42.05 C ATOM 886 O THR A 63 -4.920 6.338 11.933 1.00 54.11 O ATOM 887 CB THR A 63 -3.823 7.618 14.667 1.00 14.44 C ATOM 888 OG1 THR A 63 -4.433 8.912 14.701 1.00 43.23 O ATOM 889 CG2 THR A 63 -2.694 7.611 13.647 1.00 51.32 C ATOM 0 H THR A 63 -3.812 4.909 13.563 1.00 65.35 H new ATOM 0 HA THR A 63 -5.684 6.596 15.054 1.00 72.53 H new ATOM 0 HB THR A 63 -3.408 7.387 15.648 1.00 14.44 H new ATOM 0 HG1 THR A 63 -3.757 9.586 14.922 1.00 43.23 H new ATOM 0 HG21 THR A 63 -1.962 8.374 13.910 1.00 51.32 H new ATOM 0 HG22 THR A 63 -2.213 6.633 13.643 1.00 51.32 H new ATOM 0 HG23 THR A 63 -3.097 7.821 12.656 1.00 51.32 H new ATOM 897 N ALA A 64 -6.501 7.626 12.882 1.00 73.23 N ATOM 898 CA ALA A 64 -7.131 7.977 11.616 1.00 1.50 C ATOM 899 C ALA A 64 -7.316 9.486 11.493 1.00 21.41 C ATOM 900 O ALA A 64 -7.653 10.162 12.466 1.00 11.33 O ATOM 901 CB ALA A 64 -8.469 7.266 11.477 1.00 22.22 C ATOM 0 H ALA A 64 -6.944 8.040 13.702 1.00 73.23 H new ATOM 0 HA ALA A 64 -6.474 7.652 10.810 1.00 1.50 H new ATOM 0 HB1 ALA A 64 -8.928 7.538 10.527 1.00 22.22 H new ATOM 0 HB2 ALA A 64 -8.313 6.188 11.510 1.00 22.22 H new ATOM 0 HB3 ALA A 64 -9.125 7.563 12.295 1.00 22.22 H new ATOM 907 N LYS A 65 -7.093 10.009 10.293 1.00 3.35 N ATOM 908 CA LYS A 65 -7.236 11.438 10.041 1.00 74.43 C ATOM 909 C LYS A 65 -7.876 11.690 8.680 1.00 61.10 C ATOM 910 O LYS A 65 -7.851 10.828 7.803 1.00 25.32 O ATOM 911 CB LYS A 65 -5.871 12.127 10.110 1.00 62.34 C ATOM 912 CG LYS A 65 -4.946 11.539 11.161 1.00 13.41 C ATOM 913 CD LYS A 65 -4.113 10.400 10.596 1.00 2.43 C ATOM 914 CE LYS A 65 -2.634 10.589 10.895 1.00 21.12 C ATOM 915 NZ LYS A 65 -1.882 11.057 9.699 1.00 13.20 N ATOM 0 H LYS A 65 -6.812 9.464 9.478 1.00 3.35 H new ATOM 0 HA LYS A 65 -7.886 11.854 10.810 1.00 74.43 H new ATOM 0 HB2 LYS A 65 -5.389 12.059 9.135 1.00 62.34 H new ATOM 0 HB3 LYS A 65 -6.018 13.187 10.319 1.00 62.34 H new ATOM 0 HG2 LYS A 65 -4.287 12.318 11.544 1.00 13.41 H new ATOM 0 HG3 LYS A 65 -5.535 11.177 12.004 1.00 13.41 H new ATOM 0 HD2 LYS A 65 -4.453 9.455 11.019 1.00 2.43 H new ATOM 0 HD3 LYS A 65 -4.262 10.339 9.518 1.00 2.43 H new ATOM 0 HE2 LYS A 65 -2.516 11.311 11.703 1.00 21.12 H new ATOM 0 HE3 LYS A 65 -2.211 9.647 11.244 1.00 21.12 H new ATOM 0 HZ1 LYS A 65 -0.878 11.174 9.944 1.00 13.20 H new ATOM 0 HZ2 LYS A 65 -1.973 10.357 8.936 1.00 13.20 H new ATOM 0 HZ3 LYS A 65 -2.269 11.968 9.380 1.00 13.20 H new ATOM 929 N ASN A 66 -8.448 12.879 8.511 1.00 34.10 N ATOM 930 CA ASN A 66 -9.093 13.244 7.255 1.00 71.54 C ATOM 931 C ASN A 66 -8.628 14.619 6.784 1.00 73.43 C ATOM 932 O ASN A 66 -8.194 14.783 5.645 1.00 12.20 O ATOM 933 CB ASN A 66 -10.614 13.236 7.419 1.00 43.34 C ATOM 934 CG ASN A 66 -11.335 13.637 6.146 1.00 52.24 C ATOM 935 OD1 ASN A 66 -12.034 14.649 6.108 1.00 51.22 O ATOM 936 ND2 ASN A 66 -11.167 12.842 5.096 1.00 34.50 N ATOM 0 H ASN A 66 -8.478 13.605 9.227 1.00 34.10 H new ATOM 0 HA ASN A 66 -8.811 12.508 6.502 1.00 71.54 H new ATOM 0 HB2 ASN A 66 -10.939 12.240 7.719 1.00 43.34 H new ATOM 0 HB3 ASN A 66 -10.894 13.918 8.222 1.00 43.34 H new ATOM 0 HD21 ASN A 66 -11.627 13.060 4.212 1.00 34.50 H new ATOM 0 HD22 ASN A 66 -10.578 12.013 5.173 1.00 34.50 H new ATOM 943 N VAL A 67 -8.723 15.605 7.671 1.00 74.44 N ATOM 944 CA VAL A 67 -8.310 16.966 7.349 1.00 0.23 C ATOM 945 C VAL A 67 -6.952 17.288 7.961 1.00 65.13 C ATOM 946 O VAL A 67 -6.726 18.396 8.446 1.00 50.33 O ATOM 947 CB VAL A 67 -9.343 17.997 7.842 1.00 13.52 C ATOM 948 CG1 VAL A 67 -9.467 19.144 6.851 1.00 44.23 C ATOM 949 CG2 VAL A 67 -10.690 17.332 8.073 1.00 24.30 C ATOM 0 H VAL A 67 -9.082 15.486 8.618 1.00 74.44 H new ATOM 0 HA VAL A 67 -8.238 17.027 6.263 1.00 0.23 H new ATOM 0 HB VAL A 67 -8.999 18.406 8.792 1.00 13.52 H new ATOM 0 HG11 VAL A 67 -10.201 19.862 7.216 1.00 44.23 H new ATOM 0 HG12 VAL A 67 -8.501 19.636 6.742 1.00 44.23 H new ATOM 0 HG13 VAL A 67 -9.788 18.756 5.884 1.00 44.23 H new ATOM 0 HG21 VAL A 67 -11.408 18.075 8.421 1.00 24.30 H new ATOM 0 HG22 VAL A 67 -11.044 16.894 7.140 1.00 24.30 H new ATOM 0 HG23 VAL A 67 -10.585 16.549 8.824 1.00 24.30 H new ATOM 959 N GLY A 68 -6.050 16.313 7.935 1.00 32.34 N ATOM 960 CA GLY A 68 -4.724 16.512 8.490 1.00 2.01 C ATOM 961 C GLY A 68 -3.819 17.296 7.561 1.00 75.42 C ATOM 962 O GLY A 68 -2.655 17.542 7.880 1.00 44.41 O ATOM 0 H GLY A 68 -6.214 15.387 7.539 1.00 32.34 H new ATOM 0 HA2 GLY A 68 -4.807 17.038 9.441 1.00 2.01 H new ATOM 0 HA3 GLY A 68 -4.272 15.543 8.700 1.00 2.01 H new ATOM 966 N TRP A 69 -4.352 17.688 6.409 1.00 33.24 N ATOM 967 CA TRP A 69 -3.582 18.446 5.430 1.00 70.41 C ATOM 968 C TRP A 69 -4.150 19.852 5.262 1.00 33.40 C ATOM 969 O TRP A 69 -3.449 20.766 4.833 1.00 52.50 O ATOM 970 CB TRP A 69 -3.576 17.721 4.084 1.00 11.41 C ATOM 971 CG TRP A 69 -4.863 17.016 3.782 1.00 64.12 C ATOM 972 CD1 TRP A 69 -5.167 15.713 4.057 1.00 30.11 C ATOM 973 CD2 TRP A 69 -6.018 17.575 3.147 1.00 1.22 C ATOM 974 NE1 TRP A 69 -6.442 15.428 3.630 1.00 64.35 N ATOM 975 CE2 TRP A 69 -6.986 16.553 3.070 1.00 54.45 C ATOM 976 CE3 TRP A 69 -6.330 18.838 2.638 1.00 21.41 C ATOM 977 CZ2 TRP A 69 -8.241 16.759 2.503 1.00 32.21 C ATOM 978 CZ3 TRP A 69 -7.576 19.041 2.076 1.00 30.42 C ATOM 979 CH2 TRP A 69 -8.520 18.005 2.013 1.00 55.44 C ATOM 0 H TRP A 69 -5.314 17.493 6.130 1.00 33.24 H new ATOM 0 HA TRP A 69 -2.558 18.529 5.794 1.00 70.41 H new ATOM 0 HB2 TRP A 69 -3.371 18.442 3.292 1.00 11.41 H new ATOM 0 HB3 TRP A 69 -2.762 16.996 4.074 1.00 11.41 H new ATOM 0 HD1 TRP A 69 -4.503 15.010 4.539 1.00 30.11 H new ATOM 0 HE1 TRP A 69 -6.908 14.525 3.716 1.00 64.35 H new ATOM 0 HE3 TRP A 69 -5.610 19.642 2.683 1.00 21.41 H new ATOM 0 HZ2 TRP A 69 -8.969 15.963 2.452 1.00 32.21 H new ATOM 0 HZ3 TRP A 69 -7.827 20.013 1.679 1.00 30.42 H new ATOM 0 HH2 TRP A 69 -9.486 18.195 1.569 1.00 55.44 H new ATOM 990 N ASN A 70 -5.424 20.015 5.605 1.00 51.41 N ATOM 991 CA ASN A 70 -6.085 21.310 5.492 1.00 23.54 C ATOM 992 C ASN A 70 -6.424 21.870 6.870 1.00 11.34 C ATOM 993 O ASN A 70 -6.162 23.037 7.158 1.00 72.52 O ATOM 994 CB ASN A 70 -7.358 21.183 4.653 1.00 62.34 C ATOM 995 CG ASN A 70 -7.229 21.856 3.300 1.00 41.31 C ATOM 996 OD1 ASN A 70 -6.129 21.994 2.766 1.00 42.32 O ATOM 997 ND2 ASN A 70 -8.356 22.279 2.739 1.00 30.32 N ATOM 0 H ASN A 70 -6.018 19.267 5.963 1.00 51.41 H new ATOM 0 HA ASN A 70 -5.399 21.999 4.999 1.00 23.54 H new ATOM 0 HB2 ASN A 70 -7.592 20.128 4.510 1.00 62.34 H new ATOM 0 HB3 ASN A 70 -8.194 21.624 5.197 1.00 62.34 H new ATOM 0 HD21 ASN A 70 -8.331 22.739 1.829 1.00 30.32 H new ATOM 0 HD22 ASN A 70 -9.246 22.143 3.218 1.00 30.32 H new ATOM 1004 N GLY A 71 -7.008 21.028 7.718 1.00 40.54 N ATOM 1005 CA GLY A 71 -7.372 21.458 9.055 1.00 40.10 C ATOM 1006 C GLY A 71 -8.197 22.730 9.052 1.00 2.14 C ATOM 1007 O GLY A 71 -7.839 23.713 9.700 1.00 71.24 O ATOM 0 H GLY A 71 -7.235 20.057 7.503 1.00 40.54 H new ATOM 0 HA2 GLY A 71 -7.935 20.665 9.547 1.00 40.10 H new ATOM 0 HA3 GLY A 71 -6.467 21.617 9.641 1.00 40.10 H new ATOM 1011 N THR A 72 -9.305 22.713 8.317 1.00 33.12 N ATOM 1012 CA THR A 72 -10.182 23.874 8.230 1.00 34.15 C ATOM 1013 C THR A 72 -11.647 23.464 8.324 1.00 44.13 C ATOM 1014 O THR A 72 -12.266 23.101 7.323 1.00 32.22 O ATOM 1015 CB THR A 72 -9.959 24.647 6.916 1.00 0.15 C ATOM 1016 OG1 THR A 72 -11.002 25.610 6.733 1.00 3.54 O ATOM 1017 CG2 THR A 72 -9.924 23.697 5.728 1.00 65.42 C ATOM 0 H THR A 72 -9.616 21.908 7.774 1.00 33.12 H new ATOM 0 HA THR A 72 -9.935 24.522 9.071 1.00 34.15 H new ATOM 0 HB THR A 72 -8.999 25.159 6.979 1.00 0.15 H new ATOM 0 HG1 THR A 72 -10.853 26.099 5.897 1.00 3.54 H new ATOM 0 HG21 THR A 72 -9.766 24.266 4.812 1.00 65.42 H new ATOM 0 HG22 THR A 72 -9.111 22.983 5.857 1.00 65.42 H new ATOM 0 HG23 THR A 72 -10.871 23.161 5.663 1.00 65.42 H new ATOM 1025 N LEU A 73 -12.197 23.528 9.531 1.00 11.25 N ATOM 1026 CA LEU A 73 -13.592 23.164 9.755 1.00 61.43 C ATOM 1027 C LEU A 73 -14.279 24.178 10.666 1.00 35.05 C ATOM 1028 O LEU A 73 -13.620 24.926 11.387 1.00 55.11 O ATOM 1029 CB LEU A 73 -13.683 21.766 10.370 1.00 21.13 C ATOM 1030 CG LEU A 73 -15.043 21.075 10.269 1.00 44.23 C ATOM 1031 CD1 LEU A 73 -14.909 19.731 9.572 1.00 14.22 C ATOM 1032 CD2 LEU A 73 -15.658 20.903 11.650 1.00 2.42 C ATOM 0 H LEU A 73 -11.699 23.828 10.369 1.00 11.25 H new ATOM 0 HA LEU A 73 -14.101 23.164 8.791 1.00 61.43 H new ATOM 0 HB2 LEU A 73 -12.939 21.131 9.890 1.00 21.13 H new ATOM 0 HB3 LEU A 73 -13.411 21.836 11.423 1.00 21.13 H new ATOM 0 HG LEU A 73 -15.705 21.704 9.674 1.00 44.23 H new ATOM 0 HD11 LEU A 73 -15.887 19.254 9.510 1.00 14.22 H new ATOM 0 HD12 LEU A 73 -14.513 19.880 8.567 1.00 14.22 H new ATOM 0 HD13 LEU A 73 -14.230 19.093 10.138 1.00 14.22 H new ATOM 0 HD21 LEU A 73 -16.626 20.409 11.559 1.00 2.42 H new ATOM 0 HD22 LEU A 73 -14.998 20.296 12.269 1.00 2.42 H new ATOM 0 HD23 LEU A 73 -15.792 21.881 12.113 1.00 2.42 H new ATOM 1044 N ALA A 74 -15.607 24.193 10.630 1.00 4.13 N ATOM 1045 CA ALA A 74 -16.384 25.111 11.454 1.00 14.31 C ATOM 1046 C ALA A 74 -16.497 24.600 12.886 1.00 54.02 C ATOM 1047 O ALA A 74 -16.268 23.425 13.172 1.00 10.11 O ATOM 1048 CB ALA A 74 -17.766 25.317 10.855 1.00 43.14 C ATOM 0 H ALA A 74 -16.168 23.580 10.039 1.00 4.13 H new ATOM 0 HA ALA A 74 -15.864 26.069 11.477 1.00 14.31 H new ATOM 0 HB1 ALA A 74 -18.335 26.005 11.481 1.00 43.14 H new ATOM 0 HB2 ALA A 74 -17.670 25.734 9.852 1.00 43.14 H new ATOM 0 HB3 ALA A 74 -18.286 24.360 10.802 1.00 43.14 H new ATOM 1054 N PRO A 75 -16.855 25.503 13.811 1.00 42.25 N ATOM 1055 CA PRO A 75 -17.006 25.167 15.229 1.00 31.34 C ATOM 1056 C PRO A 75 -18.216 24.275 15.488 1.00 42.13 C ATOM 1057 O PRO A 75 -18.405 23.775 16.596 1.00 32.24 O ATOM 1058 CB PRO A 75 -17.194 26.530 15.900 1.00 50.41 C ATOM 1059 CG PRO A 75 -17.751 27.405 14.830 1.00 14.11 C ATOM 1060 CD PRO A 75 -17.143 26.922 13.542 1.00 11.33 C ATOM 0 HA PRO A 75 -16.152 24.605 15.607 1.00 31.34 H new ATOM 0 HB2 PRO A 75 -17.873 26.463 16.750 1.00 50.41 H new ATOM 0 HB3 PRO A 75 -16.248 26.919 16.278 1.00 50.41 H new ATOM 0 HG2 PRO A 75 -18.838 27.338 14.798 1.00 14.11 H new ATOM 0 HG3 PRO A 75 -17.502 28.450 15.011 1.00 14.11 H new ATOM 0 HD2 PRO A 75 -17.830 27.041 12.704 1.00 11.33 H new ATOM 0 HD3 PRO A 75 -16.238 27.475 13.293 1.00 11.33 H new ATOM 1068 N GLY A 76 -19.035 24.083 14.458 1.00 33.52 N ATOM 1069 CA GLY A 76 -20.217 23.251 14.595 1.00 35.02 C ATOM 1070 C GLY A 76 -20.515 22.456 13.339 1.00 34.01 C ATOM 1071 O GLY A 76 -20.813 23.028 12.291 1.00 62.42 O ATOM 0 H GLY A 76 -18.901 24.488 13.532 1.00 33.52 H new ATOM 0 HA2 GLY A 76 -20.080 22.565 15.431 1.00 35.02 H new ATOM 0 HA3 GLY A 76 -21.074 23.880 14.835 1.00 35.02 H new ATOM 1075 N ALA A 77 -20.432 21.133 13.445 1.00 42.23 N ATOM 1076 CA ALA A 77 -20.697 20.259 12.309 1.00 40.01 C ATOM 1077 C ALA A 77 -20.550 18.793 12.699 1.00 10.33 C ATOM 1078 O ALA A 77 -20.108 18.476 13.804 1.00 5.35 O ATOM 1079 CB ALA A 77 -19.763 20.596 11.155 1.00 43.13 C ATOM 0 H ALA A 77 -20.184 20.644 14.305 1.00 42.23 H new ATOM 0 HA ALA A 77 -21.726 20.422 11.989 1.00 40.01 H new ATOM 0 HB1 ALA A 77 -19.972 19.936 10.313 1.00 43.13 H new ATOM 0 HB2 ALA A 77 -19.919 21.631 10.851 1.00 43.13 H new ATOM 0 HB3 ALA A 77 -18.729 20.463 11.473 1.00 43.13 H new ATOM 1085 N SER A 78 -20.922 17.901 11.786 1.00 64.43 N ATOM 1086 CA SER A 78 -20.837 16.468 12.037 1.00 32.14 C ATOM 1087 C SER A 78 -20.107 15.760 10.899 1.00 13.11 C ATOM 1088 O SER A 78 -20.410 15.972 9.725 1.00 41.21 O ATOM 1089 CB SER A 78 -22.235 15.874 12.208 1.00 64.31 C ATOM 1090 OG SER A 78 -22.956 15.904 10.988 1.00 31.54 O ATOM 0 H SER A 78 -21.285 18.147 10.865 1.00 64.43 H new ATOM 0 HA SER A 78 -20.272 16.319 12.957 1.00 32.14 H new ATOM 0 HB2 SER A 78 -22.156 14.846 12.562 1.00 64.31 H new ATOM 0 HB3 SER A 78 -22.780 16.432 12.970 1.00 64.31 H new ATOM 0 HG SER A 78 -22.330 16.001 10.240 1.00 31.54 H new ATOM 1096 N VAL A 79 -19.143 14.916 11.256 1.00 64.14 N ATOM 1097 CA VAL A 79 -18.370 14.176 10.267 1.00 24.50 C ATOM 1098 C VAL A 79 -18.162 12.729 10.703 1.00 44.25 C ATOM 1099 O VAL A 79 -17.892 12.455 11.872 1.00 52.31 O ATOM 1100 CB VAL A 79 -16.998 14.829 10.023 1.00 3.24 C ATOM 1101 CG1 VAL A 79 -17.150 16.100 9.201 1.00 21.25 C ATOM 1102 CG2 VAL A 79 -16.304 15.119 11.345 1.00 42.33 C ATOM 0 H VAL A 79 -18.880 14.728 12.223 1.00 64.14 H new ATOM 0 HA VAL A 79 -18.942 14.195 9.340 1.00 24.50 H new ATOM 0 HB VAL A 79 -16.378 14.132 9.459 1.00 3.24 H new ATOM 0 HG11 VAL A 79 -16.170 16.548 9.039 1.00 21.25 H new ATOM 0 HG12 VAL A 79 -17.603 15.859 8.239 1.00 21.25 H new ATOM 0 HG13 VAL A 79 -17.787 16.805 9.735 1.00 21.25 H new ATOM 0 HG21 VAL A 79 -15.335 15.581 11.154 1.00 42.33 H new ATOM 0 HG22 VAL A 79 -16.918 15.797 11.937 1.00 42.33 H new ATOM 0 HG23 VAL A 79 -16.160 14.188 11.893 1.00 42.33 H new ATOM 1112 N SER A 80 -18.291 11.807 9.755 1.00 10.13 N ATOM 1113 CA SER A 80 -18.119 10.388 10.041 1.00 20.24 C ATOM 1114 C SER A 80 -17.306 9.706 8.945 1.00 53.31 C ATOM 1115 O SER A 80 -17.213 10.206 7.823 1.00 20.32 O ATOM 1116 CB SER A 80 -19.482 9.705 10.178 1.00 64.15 C ATOM 1117 OG SER A 80 -20.429 10.273 9.289 1.00 54.13 O ATOM 0 H SER A 80 -18.514 12.017 8.782 1.00 10.13 H new ATOM 0 HA SER A 80 -17.577 10.297 10.982 1.00 20.24 H new ATOM 0 HB2 SER A 80 -19.380 8.639 9.974 1.00 64.15 H new ATOM 0 HB3 SER A 80 -19.839 9.800 11.204 1.00 64.15 H new ATOM 0 HG SER A 80 -21.291 9.818 9.395 1.00 54.13 H new ATOM 1123 N PHE A 81 -16.716 8.563 9.278 1.00 33.14 N ATOM 1124 CA PHE A 81 -15.908 7.813 8.323 1.00 31.10 C ATOM 1125 C PHE A 81 -16.001 6.314 8.593 1.00 22.11 C ATOM 1126 O PHE A 81 -16.091 5.882 9.742 1.00 44.51 O ATOM 1127 CB PHE A 81 -14.448 8.265 8.392 1.00 21.24 C ATOM 1128 CG PHE A 81 -13.724 7.772 9.612 1.00 65.42 C ATOM 1129 CD1 PHE A 81 -13.109 6.531 9.614 1.00 20.42 C ATOM 1130 CD2 PHE A 81 -13.659 8.550 10.757 1.00 31.34 C ATOM 1131 CE1 PHE A 81 -12.443 6.074 10.736 1.00 54.24 C ATOM 1132 CE2 PHE A 81 -12.994 8.099 11.881 1.00 74.31 C ATOM 1133 CZ PHE A 81 -12.384 6.859 11.871 1.00 41.34 C ATOM 0 H PHE A 81 -16.782 8.136 10.202 1.00 33.14 H new ATOM 0 HA PHE A 81 -16.295 8.010 7.323 1.00 31.10 H new ATOM 0 HB2 PHE A 81 -13.925 7.914 7.502 1.00 21.24 H new ATOM 0 HB3 PHE A 81 -14.412 9.354 8.374 1.00 21.24 H new ATOM 0 HD1 PHE A 81 -13.150 5.913 8.729 1.00 20.42 H new ATOM 0 HD2 PHE A 81 -14.134 9.520 10.771 1.00 31.34 H new ATOM 0 HE1 PHE A 81 -11.969 5.104 10.725 1.00 54.24 H new ATOM 0 HE2 PHE A 81 -12.951 8.715 12.767 1.00 74.31 H new ATOM 0 HZ PHE A 81 -11.863 6.505 12.748 1.00 41.34 H new ATOM 1143 N GLY A 82 -15.979 5.524 7.524 1.00 4.13 N ATOM 1144 CA GLY A 82 -16.063 4.081 7.664 1.00 52.34 C ATOM 1145 C GLY A 82 -14.797 3.381 7.212 1.00 13.14 C ATOM 1146 O GLY A 82 -13.881 4.015 6.686 1.00 25.23 O ATOM 0 H GLY A 82 -15.904 5.857 6.563 1.00 4.13 H new ATOM 0 HA2 GLY A 82 -16.261 3.831 8.706 1.00 52.34 H new ATOM 0 HA3 GLY A 82 -16.907 3.711 7.082 1.00 52.34 H new ATOM 1150 N PHE A 83 -14.743 2.069 7.416 1.00 50.02 N ATOM 1151 CA PHE A 83 -13.578 1.281 7.027 1.00 63.54 C ATOM 1152 C PHE A 83 -13.831 -0.207 7.248 1.00 70.34 C ATOM 1153 O PHE A 83 -14.867 -0.600 7.781 1.00 63.54 O ATOM 1154 CB PHE A 83 -12.348 1.726 7.821 1.00 30.13 C ATOM 1155 CG PHE A 83 -12.329 1.215 9.234 1.00 4.14 C ATOM 1156 CD1 PHE A 83 -12.984 1.903 10.242 1.00 40.31 C ATOM 1157 CD2 PHE A 83 -11.657 0.046 9.552 1.00 20.40 C ATOM 1158 CE1 PHE A 83 -12.969 1.436 11.543 1.00 25.32 C ATOM 1159 CE2 PHE A 83 -11.639 -0.427 10.851 1.00 64.10 C ATOM 1160 CZ PHE A 83 -12.295 0.270 11.848 1.00 25.25 C ATOM 0 H PHE A 83 -15.492 1.529 7.848 1.00 50.02 H new ATOM 0 HA PHE A 83 -13.395 1.446 5.965 1.00 63.54 H new ATOM 0 HB2 PHE A 83 -11.450 1.383 7.307 1.00 30.13 H new ATOM 0 HB3 PHE A 83 -12.310 2.815 7.836 1.00 30.13 H new ATOM 0 HD1 PHE A 83 -13.513 2.815 10.009 1.00 40.31 H new ATOM 0 HD2 PHE A 83 -11.142 -0.502 8.777 1.00 20.40 H new ATOM 0 HE1 PHE A 83 -13.484 1.982 12.320 1.00 25.32 H new ATOM 0 HE2 PHE A 83 -11.113 -1.340 11.086 1.00 64.10 H new ATOM 0 HZ PHE A 83 -12.281 -0.097 12.864 1.00 25.25 H new ATOM 1170 N ASN A 84 -12.874 -1.031 6.833 1.00 70.21 N ATOM 1171 CA ASN A 84 -12.991 -2.477 6.985 1.00 4.05 C ATOM 1172 C ASN A 84 -11.785 -3.046 7.724 1.00 31.23 C ATOM 1173 O ASN A 84 -10.643 -2.700 7.429 1.00 55.04 O ATOM 1174 CB ASN A 84 -13.125 -3.145 5.614 1.00 44.23 C ATOM 1175 CG ASN A 84 -14.350 -2.667 4.855 1.00 74.15 C ATOM 1176 OD1 ASN A 84 -14.277 -2.372 3.662 1.00 22.51 O ATOM 1177 ND2 ASN A 84 -15.480 -2.590 5.546 1.00 61.14 N ATOM 0 H ASN A 84 -12.009 -0.722 6.389 1.00 70.21 H new ATOM 0 HA ASN A 84 -13.885 -2.684 7.573 1.00 4.05 H new ATOM 0 HB2 ASN A 84 -12.232 -2.939 5.024 1.00 44.23 H new ATOM 0 HB3 ASN A 84 -13.180 -4.226 5.743 1.00 44.23 H new ATOM 0 HD21 ASN A 84 -16.336 -2.276 5.090 1.00 61.14 H new ATOM 0 HD22 ASN A 84 -15.492 -2.845 6.533 1.00 61.14 H new ATOM 1184 N GLY A 85 -12.049 -3.924 8.687 1.00 14.25 N ATOM 1185 CA GLY A 85 -10.975 -4.528 9.454 1.00 35.44 C ATOM 1186 C GLY A 85 -11.143 -6.028 9.605 1.00 74.01 C ATOM 1187 O GLY A 85 -12.249 -6.551 9.474 1.00 73.45 O ATOM 0 H GLY A 85 -12.987 -4.228 8.950 1.00 14.25 H new ATOM 0 HA2 GLY A 85 -10.023 -4.319 8.967 1.00 35.44 H new ATOM 0 HA3 GLY A 85 -10.935 -4.069 10.442 1.00 35.44 H new ATOM 1191 N SER A 86 -10.042 -6.720 9.880 1.00 21.32 N ATOM 1192 CA SER A 86 -10.072 -8.169 10.044 1.00 41.00 C ATOM 1193 C SER A 86 -9.838 -8.556 11.501 1.00 12.21 C ATOM 1194 O SER A 86 -8.767 -8.312 12.056 1.00 65.12 O ATOM 1195 CB SER A 86 -9.015 -8.826 9.154 1.00 71.23 C ATOM 1196 OG SER A 86 -7.782 -8.132 9.230 1.00 73.03 O ATOM 0 H SER A 86 -9.119 -6.301 9.994 1.00 21.32 H new ATOM 0 HA SER A 86 -11.059 -8.523 9.746 1.00 41.00 H new ATOM 0 HB2 SER A 86 -8.872 -9.863 9.459 1.00 71.23 H new ATOM 0 HB3 SER A 86 -9.364 -8.842 8.121 1.00 71.23 H new ATOM 0 HG SER A 86 -7.577 -7.932 10.167 1.00 73.03 H new ATOM 1202 N GLY A 87 -10.849 -9.162 12.116 1.00 4.40 N ATOM 1203 CA GLY A 87 -10.734 -9.573 13.503 1.00 24.13 C ATOM 1204 C GLY A 87 -12.079 -9.635 14.202 1.00 50.53 C ATOM 1205 O GLY A 87 -13.126 -9.760 13.568 1.00 2.22 O ATOM 0 H GLY A 87 -11.745 -9.376 11.679 1.00 4.40 H new ATOM 0 HA2 GLY A 87 -10.258 -10.552 13.550 1.00 24.13 H new ATOM 0 HA3 GLY A 87 -10.084 -8.876 14.033 1.00 24.13 H new ATOM 1209 N PRO A 88 -12.058 -9.548 15.540 1.00 2.04 N ATOM 1210 CA PRO A 88 -13.276 -9.593 16.355 1.00 11.13 C ATOM 1211 C PRO A 88 -14.132 -8.343 16.189 1.00 5.51 C ATOM 1212 O PRO A 88 -15.360 -8.412 16.209 1.00 11.11 O ATOM 1213 CB PRO A 88 -12.742 -9.689 17.786 1.00 35.15 C ATOM 1214 CG PRO A 88 -11.386 -9.074 17.726 1.00 20.54 C ATOM 1215 CD PRO A 88 -10.845 -9.397 16.361 1.00 74.11 C ATOM 0 HA PRO A 88 -13.925 -10.421 16.071 1.00 11.13 H new ATOM 0 HB2 PRO A 88 -13.387 -9.158 18.486 1.00 35.15 H new ATOM 0 HB3 PRO A 88 -12.692 -10.725 18.122 1.00 35.15 H new ATOM 0 HG2 PRO A 88 -11.439 -7.996 17.880 1.00 20.54 H new ATOM 0 HG3 PRO A 88 -10.740 -9.476 18.507 1.00 20.54 H new ATOM 0 HD2 PRO A 88 -10.202 -8.601 15.985 1.00 74.11 H new ATOM 0 HD3 PRO A 88 -10.250 -10.310 16.370 1.00 74.11 H new ATOM 1223 N GLY A 89 -13.475 -7.198 16.023 1.00 31.22 N ATOM 1224 CA GLY A 89 -14.192 -5.949 15.855 1.00 41.51 C ATOM 1225 C GLY A 89 -14.541 -5.297 17.179 1.00 11.35 C ATOM 1226 O GLY A 89 -15.518 -4.555 17.275 1.00 0.01 O ATOM 0 H GLY A 89 -12.459 -7.115 16.002 1.00 31.22 H new ATOM 0 HA2 GLY A 89 -13.586 -5.262 15.264 1.00 41.51 H new ATOM 0 HA3 GLY A 89 -15.107 -6.132 15.291 1.00 41.51 H new ATOM 1230 N SER A 90 -13.740 -5.577 18.202 1.00 64.52 N ATOM 1231 CA SER A 90 -13.973 -5.018 19.529 1.00 40.22 C ATOM 1232 C SER A 90 -12.867 -4.035 19.906 1.00 21.23 C ATOM 1233 O SER A 90 -11.984 -4.334 20.709 1.00 34.04 O ATOM 1234 CB SER A 90 -14.053 -6.135 20.570 1.00 63.31 C ATOM 1235 OG SER A 90 -15.057 -7.076 20.231 1.00 11.34 O ATOM 0 H SER A 90 -12.925 -6.187 18.138 1.00 64.52 H new ATOM 0 HA SER A 90 -14.922 -4.482 19.508 1.00 40.22 H new ATOM 0 HB2 SER A 90 -13.089 -6.638 20.644 1.00 63.31 H new ATOM 0 HB3 SER A 90 -14.266 -5.708 21.550 1.00 63.31 H new ATOM 0 HG SER A 90 -15.087 -7.781 20.911 1.00 11.34 H new ATOM 1241 N PRO A 91 -12.917 -2.834 19.311 1.00 13.45 N ATOM 1242 CA PRO A 91 -11.928 -1.782 19.568 1.00 34.24 C ATOM 1243 C PRO A 91 -12.051 -1.201 20.972 1.00 63.51 C ATOM 1244 O PRO A 91 -13.115 -1.261 21.587 1.00 44.32 O ATOM 1245 CB PRO A 91 -12.259 -0.720 18.518 1.00 44.21 C ATOM 1246 CG PRO A 91 -13.702 -0.931 18.207 1.00 14.11 C ATOM 1247 CD PRO A 91 -13.941 -2.410 18.342 1.00 73.04 C ATOM 0 HA PRO A 91 -10.907 -2.158 19.506 1.00 34.24 H new ATOM 0 HB2 PRO A 91 -12.079 0.285 18.901 1.00 44.21 H new ATOM 0 HB3 PRO A 91 -11.641 -0.837 17.628 1.00 44.21 H new ATOM 0 HG2 PRO A 91 -14.336 -0.369 18.893 1.00 14.11 H new ATOM 0 HG3 PRO A 91 -13.939 -0.587 17.200 1.00 14.11 H new ATOM 0 HD2 PRO A 91 -14.948 -2.623 18.702 1.00 73.04 H new ATOM 0 HD3 PRO A 91 -13.828 -2.924 17.387 1.00 73.04 H new ATOM 1255 N SER A 92 -10.956 -0.639 21.473 1.00 74.41 N ATOM 1256 CA SER A 92 -10.940 -0.050 22.807 1.00 25.33 C ATOM 1257 C SER A 92 -9.975 1.129 22.869 1.00 22.11 C ATOM 1258 O SER A 92 -9.294 1.439 21.893 1.00 51.41 O ATOM 1259 CB SER A 92 -10.548 -1.101 23.848 1.00 50.41 C ATOM 1260 OG SER A 92 -11.007 -2.388 23.471 1.00 51.31 O ATOM 0 H SER A 92 -10.068 -0.579 20.975 1.00 74.41 H new ATOM 0 HA SER A 92 -11.944 0.313 23.029 1.00 25.33 H new ATOM 0 HB2 SER A 92 -9.464 -1.117 23.963 1.00 50.41 H new ATOM 0 HB3 SER A 92 -10.967 -0.831 24.817 1.00 50.41 H new ATOM 0 HG SER A 92 -10.743 -3.042 24.151 1.00 51.31 H new ATOM 1266 N ASN A 93 -9.922 1.783 24.025 1.00 41.41 N ATOM 1267 CA ASN A 93 -9.041 2.929 24.216 1.00 51.31 C ATOM 1268 C ASN A 93 -9.355 4.030 23.208 1.00 0.42 C ATOM 1269 O ASN A 93 -8.450 4.661 22.660 1.00 41.04 O ATOM 1270 CB ASN A 93 -7.577 2.502 24.081 1.00 23.53 C ATOM 1271 CG ASN A 93 -7.045 1.857 25.347 1.00 3.02 C ATOM 1272 OD1 ASN A 93 -6.582 2.542 26.258 1.00 11.44 O ATOM 1273 ND2 ASN A 93 -7.109 0.532 25.408 1.00 24.15 N ATOM 0 H ASN A 93 -10.479 1.539 24.844 1.00 41.41 H new ATOM 0 HA ASN A 93 -9.208 3.320 25.220 1.00 51.31 H new ATOM 0 HB2 ASN A 93 -7.480 1.802 23.251 1.00 23.53 H new ATOM 0 HB3 ASN A 93 -6.968 3.372 23.836 1.00 23.53 H new ATOM 0 HD21 ASN A 93 -6.766 0.042 26.234 1.00 24.15 H new ATOM 0 HD22 ASN A 93 -7.501 0.004 24.628 1.00 24.15 H new ATOM 1280 N CYS A 94 -10.642 4.257 22.969 1.00 60.41 N ATOM 1281 CA CYS A 94 -11.076 5.282 22.027 1.00 61.04 C ATOM 1282 C CYS A 94 -10.675 6.672 22.513 1.00 14.25 C ATOM 1283 O CYS A 94 -11.039 7.086 23.613 1.00 50.24 O ATOM 1284 CB CYS A 94 -12.591 5.216 21.831 1.00 23.32 C ATOM 1285 SG CYS A 94 -13.539 5.306 23.368 1.00 61.32 S ATOM 0 H CYS A 94 -11.403 3.745 23.415 1.00 60.41 H new ATOM 0 HA CYS A 94 -10.585 5.094 21.072 1.00 61.04 H new ATOM 0 HB2 CYS A 94 -12.898 6.034 21.179 1.00 23.32 H new ATOM 0 HB3 CYS A 94 -12.840 4.288 21.317 1.00 23.32 H new ATOM 0 HG CYS A 94 -12.947 6.114 24.196 1.00 61.32 H new ATOM 1291 N LYS A 95 -9.920 7.386 21.685 1.00 55.40 N ATOM 1292 CA LYS A 95 -9.467 8.729 22.028 1.00 51.20 C ATOM 1293 C LYS A 95 -9.379 9.608 20.785 1.00 51.50 C ATOM 1294 O LYS A 95 -8.861 9.187 19.749 1.00 52.05 O ATOM 1295 CB LYS A 95 -8.103 8.668 22.720 1.00 52.22 C ATOM 1296 CG LYS A 95 -8.190 8.402 24.212 1.00 52.15 C ATOM 1297 CD LYS A 95 -8.042 6.923 24.525 1.00 30.44 C ATOM 1298 CE LYS A 95 -7.406 6.701 25.889 1.00 11.45 C ATOM 1299 NZ LYS A 95 -6.306 5.699 25.831 1.00 0.15 N ATOM 0 H LYS A 95 -9.609 7.057 20.771 1.00 55.40 H new ATOM 0 HA LYS A 95 -10.195 9.168 22.710 1.00 51.20 H new ATOM 0 HB2 LYS A 95 -7.503 7.886 22.254 1.00 52.22 H new ATOM 0 HB3 LYS A 95 -7.580 9.610 22.557 1.00 52.22 H new ATOM 0 HG2 LYS A 95 -7.412 8.964 24.728 1.00 52.15 H new ATOM 0 HG3 LYS A 95 -9.147 8.761 24.591 1.00 52.15 H new ATOM 0 HD2 LYS A 95 -9.021 6.445 24.497 1.00 30.44 H new ATOM 0 HD3 LYS A 95 -7.433 6.447 23.757 1.00 30.44 H new ATOM 0 HE2 LYS A 95 -7.017 7.647 26.266 1.00 11.45 H new ATOM 0 HE3 LYS A 95 -8.166 6.365 26.594 1.00 11.45 H new ATOM 0 HZ1 LYS A 95 -5.650 5.858 26.622 1.00 0.15 H new ATOM 0 HZ2 LYS A 95 -6.705 4.741 25.899 1.00 0.15 H new ATOM 0 HZ3 LYS A 95 -5.794 5.797 24.931 1.00 0.15 H new ATOM 1313 N LEU A 96 -9.887 10.831 20.893 1.00 21.22 N ATOM 1314 CA LEU A 96 -9.864 11.770 19.778 1.00 43.21 C ATOM 1315 C LEU A 96 -9.691 13.203 20.275 1.00 21.44 C ATOM 1316 O LEU A 96 -10.136 13.548 21.368 1.00 64.23 O ATOM 1317 CB LEU A 96 -11.152 11.655 18.961 1.00 24.22 C ATOM 1318 CG LEU A 96 -12.368 12.399 19.516 1.00 1.01 C ATOM 1319 CD1 LEU A 96 -12.606 13.685 18.739 1.00 62.32 C ATOM 1320 CD2 LEU A 96 -13.603 11.511 19.472 1.00 44.12 C ATOM 0 H LEU A 96 -10.320 11.195 21.742 1.00 21.22 H new ATOM 0 HA LEU A 96 -9.014 11.520 19.143 1.00 43.21 H new ATOM 0 HB2 LEU A 96 -10.954 12.023 17.954 1.00 24.22 H new ATOM 0 HB3 LEU A 96 -11.408 10.599 18.870 1.00 24.22 H new ATOM 0 HG LEU A 96 -12.169 12.658 20.556 1.00 1.01 H new ATOM 0 HD11 LEU A 96 -13.475 14.201 19.147 1.00 62.32 H new ATOM 0 HD12 LEU A 96 -11.730 14.328 18.822 1.00 62.32 H new ATOM 0 HD13 LEU A 96 -12.784 13.449 17.690 1.00 62.32 H new ATOM 0 HD21 LEU A 96 -14.458 12.057 19.871 1.00 44.12 H new ATOM 0 HD22 LEU A 96 -13.806 11.221 18.441 1.00 44.12 H new ATOM 0 HD23 LEU A 96 -13.431 10.618 20.073 1.00 44.12 H new ATOM 1332 N ASN A 97 -9.043 14.031 19.463 1.00 34.45 N ATOM 1333 CA ASN A 97 -8.812 15.426 19.820 1.00 53.41 C ATOM 1334 C ASN A 97 -7.933 15.532 21.063 1.00 23.14 C ATOM 1335 O ASN A 97 -8.244 16.274 21.994 1.00 4.30 O ATOM 1336 CB ASN A 97 -10.144 16.139 20.060 1.00 54.32 C ATOM 1337 CG ASN A 97 -10.030 17.644 19.905 1.00 23.23 C ATOM 1338 OD1 ASN A 97 -9.081 18.147 19.305 1.00 55.20 O ATOM 1339 ND2 ASN A 97 -11.003 18.369 20.445 1.00 74.35 N ATOM 0 H ASN A 97 -8.669 13.761 18.554 1.00 34.45 H new ATOM 0 HA ASN A 97 -8.294 15.907 18.990 1.00 53.41 H new ATOM 0 HB2 ASN A 97 -10.888 15.760 19.359 1.00 54.32 H new ATOM 0 HB3 ASN A 97 -10.503 15.906 21.063 1.00 54.32 H new ATOM 0 HD21 ASN A 97 -10.982 19.386 20.371 1.00 74.35 H new ATOM 0 HD22 ASN A 97 -11.771 17.909 20.934 1.00 74.35 H new ATOM 1346 N GLY A 98 -6.835 14.783 21.070 1.00 61.32 N ATOM 1347 CA GLY A 98 -5.928 14.807 22.203 1.00 1.34 C ATOM 1348 C GLY A 98 -6.413 13.944 23.352 1.00 51.31 C ATOM 1349 O GLY A 98 -5.959 14.096 24.485 1.00 41.41 O ATOM 0 H GLY A 98 -6.557 14.160 20.312 1.00 61.32 H new ATOM 0 HA2 GLY A 98 -4.944 14.463 21.884 1.00 1.34 H new ATOM 0 HA3 GLY A 98 -5.810 15.834 22.549 1.00 1.34 H new ATOM 1353 N GLY A 99 -7.339 13.037 23.058 1.00 74.40 N ATOM 1354 CA GLY A 99 -7.871 12.162 24.086 1.00 64.40 C ATOM 1355 C GLY A 99 -9.105 12.736 24.755 1.00 52.15 C ATOM 1356 O GLY A 99 -9.058 13.141 25.917 1.00 33.15 O ATOM 0 H GLY A 99 -7.730 12.893 22.127 1.00 74.40 H new ATOM 0 HA2 GLY A 99 -8.117 11.196 23.645 1.00 64.40 H new ATOM 0 HA3 GLY A 99 -7.104 11.983 24.839 1.00 64.40 H new ATOM 1360 N SER A 100 -10.211 12.774 24.020 1.00 61.11 N ATOM 1361 CA SER A 100 -11.461 13.308 24.547 1.00 65.12 C ATOM 1362 C SER A 100 -12.659 12.732 23.798 1.00 14.23 C ATOM 1363 O SER A 100 -12.944 13.125 22.666 1.00 4.22 O ATOM 1364 CB SER A 100 -11.470 14.835 24.448 1.00 0.02 C ATOM 1365 OG SER A 100 -10.153 15.357 24.486 1.00 31.25 O ATOM 0 H SER A 100 -10.267 12.441 23.057 1.00 61.11 H new ATOM 0 HA SER A 100 -11.537 13.018 25.595 1.00 65.12 H new ATOM 0 HB2 SER A 100 -11.959 15.140 23.522 1.00 0.02 H new ATOM 0 HB3 SER A 100 -12.054 15.252 25.269 1.00 0.02 H new ATOM 0 HG SER A 100 -9.851 15.550 23.574 1.00 31.25 H new ATOM 1371 N CYS A 101 -13.354 11.798 24.436 1.00 31.11 N ATOM 1372 CA CYS A 101 -14.520 11.165 23.829 1.00 31.51 C ATOM 1373 C CYS A 101 -15.505 10.703 24.898 1.00 45.14 C ATOM 1374 O CYS A 101 -15.111 10.138 25.918 1.00 75.11 O ATOM 1375 CB CYS A 101 -14.091 9.976 22.967 1.00 75.21 C ATOM 1376 SG CYS A 101 -15.467 9.034 22.272 1.00 5.23 S ATOM 0 H CYS A 101 -13.131 11.462 25.373 1.00 31.11 H new ATOM 0 HA CYS A 101 -15.015 11.903 23.197 1.00 31.51 H new ATOM 0 HB2 CYS A 101 -13.465 10.339 22.152 1.00 75.21 H new ATOM 0 HB3 CYS A 101 -13.475 9.308 23.569 1.00 75.21 H new ATOM 0 HG CYS A 101 -15.003 8.052 21.558 1.00 5.23 H new ATOM 1382 N ASP A 102 -16.788 10.950 24.658 1.00 22.20 N ATOM 1383 CA ASP A 102 -17.831 10.560 25.600 1.00 73.44 C ATOM 1384 C ASP A 102 -18.821 9.600 24.950 1.00 2.13 C ATOM 1385 O ASP A 102 -19.176 9.755 23.782 1.00 34.11 O ATOM 1386 CB ASP A 102 -18.567 11.796 26.119 1.00 44.04 C ATOM 1387 CG ASP A 102 -18.324 12.039 27.596 1.00 75.31 C ATOM 1388 OD1 ASP A 102 -18.247 11.049 28.356 1.00 4.35 O ATOM 1389 OD2 ASP A 102 -18.209 13.217 27.993 1.00 50.00 O ATOM 0 H ASP A 102 -17.131 11.418 23.819 1.00 22.20 H new ATOM 0 HA ASP A 102 -17.356 10.050 26.438 1.00 73.44 H new ATOM 0 HB2 ASP A 102 -18.246 12.670 25.553 1.00 44.04 H new ATOM 0 HB3 ASP A 102 -19.636 11.678 25.945 1.00 44.04 H new ATOM 1394 N GLY A 103 -19.264 8.605 25.714 1.00 1.51 N ATOM 1395 CA GLY A 103 -20.207 7.633 25.194 1.00 5.44 C ATOM 1396 C GLY A 103 -19.596 6.254 25.045 1.00 50.30 C ATOM 1397 O GLY A 103 -20.311 5.255 24.966 1.00 12.34 O ATOM 0 H GLY A 103 -18.986 8.456 26.684 1.00 1.51 H new ATOM 0 HA2 GLY A 103 -21.068 7.575 25.859 1.00 5.44 H new ATOM 0 HA3 GLY A 103 -20.575 7.971 24.225 1.00 5.44 H new ATOM 1401 N THR A 104 -18.268 6.198 25.004 1.00 52.03 N ATOM 1402 CA THR A 104 -17.561 4.932 24.861 1.00 62.13 C ATOM 1403 C THR A 104 -16.217 4.969 25.580 1.00 32.41 C ATOM 1404 O THR A 104 -15.786 6.018 26.059 1.00 24.34 O ATOM 1405 CB THR A 104 -17.327 4.584 23.379 1.00 44.21 C ATOM 1406 OG1 THR A 104 -17.412 5.768 22.579 1.00 1.43 O ATOM 1407 CG2 THR A 104 -18.347 3.565 22.895 1.00 23.55 C ATOM 0 H THR A 104 -17.661 7.015 25.068 1.00 52.03 H new ATOM 0 HA THR A 104 -18.191 4.165 25.312 1.00 62.13 H new ATOM 0 HB THR A 104 -16.331 4.151 23.283 1.00 44.21 H new ATOM 0 HG1 THR A 104 -17.260 5.539 21.638 1.00 1.43 H new ATOM 0 HG21 THR A 104 -18.162 3.335 21.846 1.00 23.55 H new ATOM 0 HG22 THR A 104 -18.260 2.654 23.487 1.00 23.55 H new ATOM 0 HG23 THR A 104 -19.351 3.975 23.005 1.00 23.55 H new ATOM 1415 N SER A 105 -15.559 3.816 25.653 1.00 23.33 N ATOM 1416 CA SER A 105 -14.265 3.716 26.317 1.00 30.53 C ATOM 1417 C SER A 105 -13.384 2.671 25.637 1.00 65.05 C ATOM 1418 O SER A 105 -12.160 2.713 25.743 1.00 71.24 O ATOM 1419 CB SER A 105 -14.452 3.358 27.792 1.00 71.54 C ATOM 1420 OG SER A 105 -14.862 2.011 27.944 1.00 33.22 O ATOM 0 H SER A 105 -15.901 2.939 25.261 1.00 23.33 H new ATOM 0 HA SER A 105 -13.772 4.685 26.244 1.00 30.53 H new ATOM 0 HB2 SER A 105 -13.517 3.519 28.329 1.00 71.54 H new ATOM 0 HB3 SER A 105 -15.195 4.020 28.238 1.00 71.54 H new ATOM 0 HG SER A 105 -14.972 1.808 28.896 1.00 33.22 H new TER 1426 SER A 105