USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=38 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 33:sc= -0.242 USER MOD Set 1.2: A 101 CYS SG : rot 180:sc= 0.0555 USER MOD Set 2.1: A 63 THR OG1 : rot -179:sc= -1.29 USER MOD Set 2.2: A 65 LYS NZ :NH3+ 152:sc= -0.457 (180deg=-0.677) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 28:sc= 0.03 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 153:sc= -0.426 (180deg=-1.2!) USER MOD Single : A 11 THR OG1 : rot 64:sc= 0.488 USER MOD Single : A 12 SER OG : rot 180:sc= -0.267 USER MOD Single : A 16 THR OG1 : rot -25:sc= 0.0907 USER MOD Single : A 21 SER OG : rot 180:sc= -0.0757 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= -4.91! C(o=-4.9!,f=-4.3!) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 29 THR OG1 : rot 110:sc= -0.398 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -38:sc= 0.343 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.385 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0105 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 124:sc= 0.718 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00593 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -100:sc= -0.0215 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 36:sc= 0.656 USER MOD Single : A 61 HIS : no HE2:sc= -1.45 K(o=-1.5,f=-4.6!) USER MOD Single : A 66 ASN : amide:sc= -2.27 K(o=-2.3,f=-3.8!) USER MOD Single : A 70 ASN : amide:sc= -1.48 K(o=-1.5,f=-0.19!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -2.47 K(o=-2.5,f=-9.6!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -0.0941 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.46 X(o=-0.46,f=-0.013) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.552 K(o=0.55,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 105 SER OG : rot 59:sc= 0.371 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.254 24.383 24.096 1.00 42.44 N ATOM 2 CA ALA A 1 -9.937 23.183 24.562 1.00 33.15 C ATOM 3 C ALA A 1 -11.242 22.965 23.804 1.00 2.55 C ATOM 4 O ALA A 1 -12.278 23.534 24.151 1.00 60.23 O ATOM 5 CB ALA A 1 -10.202 23.272 26.057 1.00 23.32 C ATOM 0 H1 ALA A 1 -8.369 24.508 24.628 1.00 42.44 H new ATOM 0 H2 ALA A 1 -9.038 24.288 23.083 1.00 42.44 H new ATOM 0 H3 ALA A 1 -9.866 25.210 24.244 1.00 42.44 H new ATOM 0 HA ALA A 1 -9.288 22.329 24.370 1.00 33.15 H new ATOM 0 HB1 ALA A 1 -10.713 22.369 26.390 1.00 23.32 H new ATOM 0 HB2 ALA A 1 -9.256 23.371 26.589 1.00 23.32 H new ATOM 0 HB3 ALA A 1 -10.828 24.140 26.265 1.00 23.32 H new ATOM 11 N THR A 2 -11.187 22.138 22.764 1.00 10.53 N ATOM 12 CA THR A 2 -12.364 21.847 21.955 1.00 20.01 C ATOM 13 C THR A 2 -13.133 20.657 22.514 1.00 24.34 C ATOM 14 O THR A 2 -12.546 19.631 22.859 1.00 22.51 O ATOM 15 CB THR A 2 -11.982 21.556 20.491 1.00 74.52 C ATOM 16 OG1 THR A 2 -10.951 20.562 20.443 1.00 23.22 O ATOM 17 CG2 THR A 2 -11.506 22.821 19.794 1.00 41.32 C ATOM 0 H THR A 2 -10.339 21.658 22.462 1.00 10.53 H new ATOM 0 HA THR A 2 -12.997 22.733 21.987 1.00 20.01 H new ATOM 0 HB THR A 2 -12.868 21.187 19.974 1.00 74.52 H new ATOM 0 HG1 THR A 2 -11.021 19.980 21.228 1.00 23.22 H new ATOM 0 HG21 THR A 2 -11.242 22.590 18.762 1.00 41.32 H new ATOM 0 HG22 THR A 2 -12.302 23.565 19.807 1.00 41.32 H new ATOM 0 HG23 THR A 2 -10.632 23.215 20.313 1.00 41.32 H new ATOM 25 N SER A 3 -14.453 20.798 22.600 1.00 54.34 N ATOM 26 CA SER A 3 -15.303 19.734 23.121 1.00 61.11 C ATOM 27 C SER A 3 -15.904 18.914 21.984 1.00 12.34 C ATOM 28 O SER A 3 -16.934 19.277 21.418 1.00 62.10 O ATOM 29 CB SER A 3 -16.420 20.323 23.986 1.00 4.45 C ATOM 30 OG SER A 3 -15.899 21.218 24.952 1.00 5.21 O ATOM 0 H SER A 3 -14.956 21.639 22.316 1.00 54.34 H new ATOM 0 HA SER A 3 -14.687 19.076 23.734 1.00 61.11 H new ATOM 0 HB2 SER A 3 -17.138 20.844 23.353 1.00 4.45 H new ATOM 0 HB3 SER A 3 -16.960 19.519 24.485 1.00 4.45 H new ATOM 0 HG SER A 3 -16.633 21.582 25.490 1.00 5.21 H new ATOM 36 N ALA A 4 -15.251 17.804 21.654 1.00 73.25 N ATOM 37 CA ALA A 4 -15.719 16.930 20.587 1.00 10.02 C ATOM 38 C ALA A 4 -16.080 15.549 21.126 1.00 50.13 C ATOM 39 O ALA A 4 -15.378 15.000 21.976 1.00 71.34 O ATOM 40 CB ALA A 4 -14.663 16.814 19.498 1.00 24.13 C ATOM 0 H ALA A 4 -14.395 17.489 22.112 1.00 73.25 H new ATOM 0 HA ALA A 4 -16.619 17.371 20.159 1.00 10.02 H new ATOM 0 HB1 ALA A 4 -15.026 16.158 18.707 1.00 24.13 H new ATOM 0 HB2 ALA A 4 -14.457 17.801 19.084 1.00 24.13 H new ATOM 0 HB3 ALA A 4 -13.748 16.400 19.921 1.00 24.13 H new ATOM 46 N THR A 5 -17.179 14.992 20.626 1.00 74.22 N ATOM 47 CA THR A 5 -17.632 13.677 21.059 1.00 24.43 C ATOM 48 C THR A 5 -17.676 12.699 19.891 1.00 24.25 C ATOM 49 O THR A 5 -17.802 13.102 18.736 1.00 12.23 O ATOM 50 CB THR A 5 -19.029 13.750 21.706 1.00 20.35 C ATOM 51 OG1 THR A 5 -19.734 14.898 21.222 1.00 61.40 O ATOM 52 CG2 THR A 5 -18.921 13.816 23.222 1.00 51.51 C ATOM 0 H THR A 5 -17.771 15.432 19.921 1.00 74.22 H new ATOM 0 HA THR A 5 -16.914 13.323 21.799 1.00 24.43 H new ATOM 0 HB THR A 5 -19.577 12.847 21.436 1.00 20.35 H new ATOM 0 HG1 THR A 5 -20.621 14.936 21.637 1.00 61.40 H new ATOM 0 HG21 THR A 5 -19.920 13.867 23.656 1.00 51.51 H new ATOM 0 HG22 THR A 5 -18.411 12.926 23.589 1.00 51.51 H new ATOM 0 HG23 THR A 5 -18.355 14.703 23.508 1.00 51.51 H new ATOM 60 N ALA A 6 -17.574 11.410 20.201 1.00 11.33 N ATOM 61 CA ALA A 6 -17.605 10.374 19.176 1.00 14.32 C ATOM 62 C ALA A 6 -18.221 9.088 19.714 1.00 33.33 C ATOM 63 O ALA A 6 -18.348 8.906 20.926 1.00 12.24 O ATOM 64 CB ALA A 6 -16.201 10.109 18.651 1.00 11.42 C ATOM 0 H ALA A 6 -17.469 11.059 21.153 1.00 11.33 H new ATOM 0 HA ALA A 6 -18.228 10.729 18.355 1.00 14.32 H new ATOM 0 HB1 ALA A 6 -16.239 9.333 17.886 1.00 11.42 H new ATOM 0 HB2 ALA A 6 -15.795 11.024 18.220 1.00 11.42 H new ATOM 0 HB3 ALA A 6 -15.562 9.780 19.471 1.00 11.42 H new ATOM 70 N THR A 7 -18.605 8.195 18.807 1.00 2.50 N ATOM 71 CA THR A 7 -19.211 6.927 19.190 1.00 21.23 C ATOM 72 C THR A 7 -18.865 5.828 18.192 1.00 11.40 C ATOM 73 O THR A 7 -18.756 6.078 16.991 1.00 55.50 O ATOM 74 CB THR A 7 -20.743 7.044 19.296 1.00 43.11 C ATOM 75 OG1 THR A 7 -21.152 8.385 19.005 1.00 23.50 O ATOM 76 CG2 THR A 7 -21.221 6.652 20.686 1.00 4.21 C ATOM 0 H THR A 7 -18.506 8.328 17.800 1.00 2.50 H new ATOM 0 HA THR A 7 -18.806 6.667 20.168 1.00 21.23 H new ATOM 0 HB THR A 7 -21.189 6.363 18.571 1.00 43.11 H new ATOM 0 HG1 THR A 7 -22.127 8.451 19.073 1.00 23.50 H new ATOM 0 HG21 THR A 7 -22.306 6.743 20.737 1.00 4.21 H new ATOM 0 HG22 THR A 7 -20.933 5.621 20.893 1.00 4.21 H new ATOM 0 HG23 THR A 7 -20.767 7.311 21.426 1.00 4.21 H new ATOM 84 N PHE A 8 -18.694 4.610 18.695 1.00 23.20 N ATOM 85 CA PHE A 8 -18.360 3.472 17.847 1.00 1.45 C ATOM 86 C PHE A 8 -19.622 2.785 17.335 1.00 63.42 C ATOM 87 O PHE A 8 -20.619 2.683 18.050 1.00 34.10 O ATOM 88 CB PHE A 8 -17.497 2.470 18.616 1.00 72.24 C ATOM 89 CG PHE A 8 -17.101 1.270 17.803 1.00 63.13 C ATOM 90 CD1 PHE A 8 -16.309 1.412 16.675 1.00 3.42 C ATOM 91 CD2 PHE A 8 -17.521 0.001 18.168 1.00 1.32 C ATOM 92 CE1 PHE A 8 -15.943 0.311 15.925 1.00 21.53 C ATOM 93 CE2 PHE A 8 -17.157 -1.104 17.422 1.00 44.31 C ATOM 94 CZ PHE A 8 -16.369 -0.949 16.298 1.00 75.05 C ATOM 0 H PHE A 8 -18.781 4.386 19.686 1.00 23.20 H new ATOM 0 HA PHE A 8 -17.797 3.844 16.991 1.00 1.45 H new ATOM 0 HB2 PHE A 8 -16.597 2.973 18.968 1.00 72.24 H new ATOM 0 HB3 PHE A 8 -18.042 2.137 19.499 1.00 72.24 H new ATOM 0 HD1 PHE A 8 -15.974 2.395 16.379 1.00 3.42 H new ATOM 0 HD2 PHE A 8 -18.139 -0.126 19.044 1.00 1.32 H new ATOM 0 HE1 PHE A 8 -15.325 0.435 15.048 1.00 21.53 H new ATOM 0 HE2 PHE A 8 -17.489 -2.088 17.718 1.00 44.31 H new ATOM 0 HZ PHE A 8 -16.087 -1.811 15.712 1.00 75.05 H new ATOM 104 N ALA A 9 -19.574 2.317 16.092 1.00 53.44 N ATOM 105 CA ALA A 9 -20.712 1.639 15.485 1.00 53.13 C ATOM 106 C ALA A 9 -20.252 0.561 14.509 1.00 42.50 C ATOM 107 O ALA A 9 -19.170 0.655 13.930 1.00 15.32 O ATOM 108 CB ALA A 9 -21.610 2.644 14.780 1.00 64.42 C ATOM 0 H ALA A 9 -18.758 2.395 15.485 1.00 53.44 H new ATOM 0 HA ALA A 9 -21.281 1.155 16.279 1.00 53.13 H new ATOM 0 HB1 ALA A 9 -22.456 2.124 14.331 1.00 64.42 H new ATOM 0 HB2 ALA A 9 -21.975 3.375 15.502 1.00 64.42 H new ATOM 0 HB3 ALA A 9 -21.043 3.155 14.001 1.00 64.42 H new ATOM 114 N LYS A 10 -21.081 -0.462 14.329 1.00 44.35 N ATOM 115 CA LYS A 10 -20.761 -1.556 13.422 1.00 23.55 C ATOM 116 C LYS A 10 -21.420 -1.348 12.062 1.00 40.25 C ATOM 117 O LYS A 10 -22.517 -0.794 11.970 1.00 72.41 O ATOM 118 CB LYS A 10 -21.216 -2.891 14.021 1.00 54.52 C ATOM 119 CG LYS A 10 -20.177 -3.993 13.906 1.00 11.32 C ATOM 120 CD LYS A 10 -20.344 -4.784 12.620 1.00 33.00 C ATOM 121 CE LYS A 10 -19.047 -5.466 12.213 1.00 12.42 C ATOM 122 NZ LYS A 10 -18.580 -6.433 13.244 1.00 71.24 N ATOM 0 H LYS A 10 -21.981 -0.555 14.801 1.00 44.35 H new ATOM 0 HA LYS A 10 -19.680 -1.574 13.283 1.00 23.55 H new ATOM 0 HB2 LYS A 10 -21.462 -2.743 15.072 1.00 54.52 H new ATOM 0 HB3 LYS A 10 -22.130 -3.211 13.522 1.00 54.52 H new ATOM 0 HG2 LYS A 10 -19.178 -3.558 13.939 1.00 11.32 H new ATOM 0 HG3 LYS A 10 -20.261 -4.664 14.761 1.00 11.32 H new ATOM 0 HD2 LYS A 10 -21.125 -5.533 12.751 1.00 33.00 H new ATOM 0 HD3 LYS A 10 -20.672 -4.118 11.822 1.00 33.00 H new ATOM 0 HE2 LYS A 10 -19.192 -5.987 11.267 1.00 12.42 H new ATOM 0 HE3 LYS A 10 -18.277 -4.712 12.047 1.00 12.42 H new ATOM 0 HZ1 LYS A 10 -18.011 -7.176 12.791 1.00 71.24 H new ATOM 0 HZ2 LYS A 10 -18.001 -5.935 13.950 1.00 71.24 H new ATOM 0 HZ3 LYS A 10 -19.402 -6.864 13.713 1.00 71.24 H new ATOM 136 N THR A 11 -20.745 -1.795 11.008 1.00 42.12 N ATOM 137 CA THR A 11 -21.265 -1.656 9.653 1.00 34.35 C ATOM 138 C THR A 11 -21.712 -3.003 9.096 1.00 63.31 C ATOM 139 O THR A 11 -22.876 -3.180 8.737 1.00 21.24 O ATOM 140 CB THR A 11 -20.213 -1.046 8.707 1.00 35.53 C ATOM 141 OG1 THR A 11 -19.359 -0.156 9.434 1.00 70.13 O ATOM 142 CG2 THR A 11 -20.883 -0.296 7.565 1.00 33.22 C ATOM 0 H THR A 11 -19.837 -2.256 11.066 1.00 42.12 H new ATOM 0 HA THR A 11 -22.123 -0.986 9.710 1.00 34.35 H new ATOM 0 HB THR A 11 -19.618 -1.857 8.288 1.00 35.53 H new ATOM 0 HG1 THR A 11 -18.861 -0.660 10.111 1.00 70.13 H new ATOM 0 HG21 THR A 11 -20.121 0.126 6.910 1.00 33.22 H new ATOM 0 HG22 THR A 11 -21.510 -0.983 6.997 1.00 33.22 H new ATOM 0 HG23 THR A 11 -21.499 0.507 7.969 1.00 33.22 H new ATOM 150 N SER A 12 -20.782 -3.949 9.029 1.00 50.50 N ATOM 151 CA SER A 12 -21.080 -5.280 8.512 1.00 40.14 C ATOM 152 C SER A 12 -19.842 -6.172 8.560 1.00 45.23 C ATOM 153 O SER A 12 -18.736 -5.733 8.245 1.00 32.24 O ATOM 154 CB SER A 12 -21.601 -5.187 7.077 1.00 32.11 C ATOM 155 OG SER A 12 -21.165 -3.992 6.452 1.00 22.04 O ATOM 0 H SER A 12 -19.815 -3.819 9.326 1.00 50.50 H new ATOM 0 HA SER A 12 -21.850 -5.724 9.143 1.00 40.14 H new ATOM 0 HB2 SER A 12 -21.255 -6.048 6.505 1.00 32.11 H new ATOM 0 HB3 SER A 12 -22.690 -5.223 7.079 1.00 32.11 H new ATOM 0 HG SER A 12 -21.510 -3.957 5.535 1.00 22.04 H new ATOM 161 N ASP A 13 -20.039 -7.424 8.957 1.00 63.12 N ATOM 162 CA ASP A 13 -18.940 -8.379 9.046 1.00 62.35 C ATOM 163 C ASP A 13 -19.139 -9.528 8.063 1.00 40.13 C ATOM 164 O ASP A 13 -20.191 -10.166 8.043 1.00 45.13 O ATOM 165 CB ASP A 13 -18.825 -8.924 10.471 1.00 1.23 C ATOM 166 CG ASP A 13 -20.178 -9.121 11.127 1.00 53.33 C ATOM 167 OD1 ASP A 13 -20.930 -10.009 10.677 1.00 64.43 O ATOM 168 OD2 ASP A 13 -20.483 -8.386 12.090 1.00 40.11 O ATOM 0 H ASP A 13 -20.949 -7.802 9.222 1.00 63.12 H new ATOM 0 HA ASP A 13 -18.017 -7.860 8.788 1.00 62.35 H new ATOM 0 HB2 ASP A 13 -18.292 -9.875 10.451 1.00 1.23 H new ATOM 0 HB3 ASP A 13 -18.229 -8.237 11.073 1.00 1.23 H new ATOM 173 N TRP A 14 -18.121 -9.785 7.249 1.00 42.05 N ATOM 174 CA TRP A 14 -18.184 -10.856 6.262 1.00 74.33 C ATOM 175 C TRP A 14 -17.242 -11.997 6.635 1.00 44.55 C ATOM 176 O TRP A 14 -16.062 -11.978 6.285 1.00 62.32 O ATOM 177 CB TRP A 14 -17.831 -10.320 4.874 1.00 21.40 C ATOM 178 CG TRP A 14 -16.617 -9.442 4.867 1.00 32.03 C ATOM 179 CD1 TRP A 14 -15.343 -9.807 4.537 1.00 51.12 C ATOM 180 CD2 TRP A 14 -16.562 -8.052 5.207 1.00 23.51 C ATOM 181 NE1 TRP A 14 -14.501 -8.728 4.652 1.00 54.24 N ATOM 182 CE2 TRP A 14 -15.224 -7.639 5.061 1.00 15.25 C ATOM 183 CE3 TRP A 14 -17.514 -7.116 5.619 1.00 64.32 C ATOM 184 CZ2 TRP A 14 -14.817 -6.332 5.314 1.00 13.12 C ATOM 185 CZ3 TRP A 14 -17.109 -5.819 5.870 1.00 54.01 C ATOM 186 CH2 TRP A 14 -15.769 -5.436 5.716 1.00 24.52 C ATOM 0 H TRP A 14 -17.243 -9.266 7.253 1.00 42.05 H new ATOM 0 HA TRP A 14 -19.203 -11.242 6.246 1.00 74.33 H new ATOM 0 HB2 TRP A 14 -17.667 -11.160 4.199 1.00 21.40 H new ATOM 0 HB3 TRP A 14 -18.679 -9.758 4.483 1.00 21.40 H new ATOM 0 HD1 TRP A 14 -15.042 -10.798 4.231 1.00 51.12 H new ATOM 0 HE1 TRP A 14 -13.499 -8.736 4.463 1.00 54.24 H new ATOM 0 HE3 TRP A 14 -18.549 -7.401 5.739 1.00 64.32 H new ATOM 0 HZ2 TRP A 14 -13.785 -6.036 5.197 1.00 13.12 H new ATOM 0 HZ3 TRP A 14 -17.837 -5.088 6.190 1.00 54.01 H new ATOM 0 HH2 TRP A 14 -15.483 -4.414 5.919 1.00 24.52 H new ATOM 197 N GLY A 15 -17.771 -12.986 7.347 1.00 73.21 N ATOM 198 CA GLY A 15 -16.962 -14.120 7.755 1.00 33.34 C ATOM 199 C GLY A 15 -16.009 -13.777 8.882 1.00 75.01 C ATOM 200 O GLY A 15 -16.353 -13.902 10.058 1.00 41.42 O ATOM 0 H GLY A 15 -18.745 -13.023 7.649 1.00 73.21 H new ATOM 0 HA2 GLY A 15 -17.615 -14.933 8.071 1.00 33.34 H new ATOM 0 HA3 GLY A 15 -16.392 -14.482 6.899 1.00 33.34 H new ATOM 204 N THR A 16 -14.803 -13.343 8.524 1.00 73.41 N ATOM 205 CA THR A 16 -13.796 -12.983 9.513 1.00 72.24 C ATOM 206 C THR A 16 -13.546 -11.480 9.522 1.00 44.42 C ATOM 207 O THR A 16 -12.989 -10.938 10.476 1.00 32.15 O ATOM 208 CB THR A 16 -12.464 -13.712 9.251 1.00 1.53 C ATOM 209 OG1 THR A 16 -11.553 -13.471 10.329 1.00 13.24 O ATOM 210 CG2 THR A 16 -11.843 -13.248 7.942 1.00 10.42 C ATOM 0 H THR A 16 -14.501 -13.233 7.556 1.00 73.41 H new ATOM 0 HA THR A 16 -14.184 -13.290 10.484 1.00 72.24 H new ATOM 0 HB THR A 16 -12.667 -14.781 9.180 1.00 1.53 H new ATOM 0 HG1 THR A 16 -11.787 -12.629 10.773 1.00 13.24 H new ATOM 0 HG21 THR A 16 -10.904 -13.776 7.778 1.00 10.42 H new ATOM 0 HG22 THR A 16 -12.527 -13.459 7.120 1.00 10.42 H new ATOM 0 HG23 THR A 16 -11.653 -12.176 7.989 1.00 10.42 H new ATOM 218 N GLY A 17 -13.963 -10.809 8.452 1.00 53.52 N ATOM 219 CA GLY A 17 -13.776 -9.372 8.357 1.00 34.23 C ATOM 220 C GLY A 17 -14.906 -8.597 9.004 1.00 22.14 C ATOM 221 O GLY A 17 -16.058 -9.033 8.988 1.00 75.15 O ATOM 0 H GLY A 17 -14.427 -11.235 7.649 1.00 53.52 H new ATOM 0 HA2 GLY A 17 -12.834 -9.099 8.832 1.00 34.23 H new ATOM 0 HA3 GLY A 17 -13.698 -9.087 7.308 1.00 34.23 H new ATOM 225 N PHE A 18 -14.577 -7.444 9.577 1.00 63.05 N ATOM 226 CA PHE A 18 -15.574 -6.607 10.235 1.00 52.23 C ATOM 227 C PHE A 18 -15.555 -5.190 9.667 1.00 72.40 C ATOM 228 O PHE A 18 -14.516 -4.700 9.227 1.00 41.22 O ATOM 229 CB PHE A 18 -15.320 -6.566 11.744 1.00 23.01 C ATOM 230 CG PHE A 18 -14.199 -5.648 12.138 1.00 74.34 C ATOM 231 CD1 PHE A 18 -14.442 -4.312 12.412 1.00 41.32 C ATOM 232 CD2 PHE A 18 -12.900 -6.122 12.236 1.00 21.21 C ATOM 233 CE1 PHE A 18 -13.413 -3.464 12.776 1.00 35.35 C ATOM 234 CE2 PHE A 18 -11.866 -5.280 12.600 1.00 22.00 C ATOM 235 CZ PHE A 18 -12.123 -3.949 12.869 1.00 12.03 C ATOM 0 H PHE A 18 -13.629 -7.068 9.599 1.00 63.05 H new ATOM 0 HA PHE A 18 -16.556 -7.041 10.050 1.00 52.23 H new ATOM 0 HB2 PHE A 18 -16.233 -6.250 12.250 1.00 23.01 H new ATOM 0 HB3 PHE A 18 -15.094 -7.573 12.094 1.00 23.01 H new ATOM 0 HD1 PHE A 18 -15.449 -3.928 12.340 1.00 41.32 H new ATOM 0 HD2 PHE A 18 -12.694 -7.161 12.026 1.00 21.21 H new ATOM 0 HE1 PHE A 18 -13.617 -2.425 12.987 1.00 35.35 H new ATOM 0 HE2 PHE A 18 -10.858 -5.662 12.674 1.00 22.00 H new ATOM 0 HZ PHE A 18 -11.316 -3.289 13.152 1.00 12.03 H new ATOM 245 N GLY A 19 -16.714 -4.539 9.680 1.00 42.33 N ATOM 246 CA GLY A 19 -16.810 -3.186 9.163 1.00 12.55 C ATOM 247 C GLY A 19 -16.937 -2.152 10.264 1.00 10.34 C ATOM 248 O GLY A 19 -17.963 -2.076 10.937 1.00 21.12 O ATOM 0 H GLY A 19 -17.588 -4.924 10.039 1.00 42.33 H new ATOM 0 HA2 GLY A 19 -15.927 -2.966 8.563 1.00 12.55 H new ATOM 0 HA3 GLY A 19 -17.672 -3.114 8.500 1.00 12.55 H new ATOM 252 N GLY A 20 -15.890 -1.354 10.447 1.00 50.24 N ATOM 253 CA GLY A 20 -15.909 -0.331 11.477 1.00 13.11 C ATOM 254 C GLY A 20 -16.590 0.942 11.016 1.00 71.44 C ATOM 255 O GLY A 20 -16.454 1.344 9.861 1.00 24.22 O ATOM 0 H GLY A 20 -15.029 -1.397 9.901 1.00 50.24 H new ATOM 0 HA2 GLY A 20 -16.423 -0.716 12.358 1.00 13.11 H new ATOM 0 HA3 GLY A 20 -14.886 -0.104 11.778 1.00 13.11 H new ATOM 259 N SER A 21 -17.327 1.578 11.922 1.00 54.54 N ATOM 260 CA SER A 21 -18.037 2.811 11.601 1.00 35.23 C ATOM 261 C SER A 21 -17.942 3.808 12.753 1.00 11.23 C ATOM 262 O SER A 21 -18.738 3.766 13.691 1.00 32.12 O ATOM 263 CB SER A 21 -19.505 2.512 11.290 1.00 55.40 C ATOM 264 OG SER A 21 -20.332 3.611 11.630 1.00 21.54 O ATOM 0 H SER A 21 -17.448 1.260 12.884 1.00 54.54 H new ATOM 0 HA SER A 21 -17.569 3.253 10.721 1.00 35.23 H new ATOM 0 HB2 SER A 21 -19.616 2.283 10.230 1.00 55.40 H new ATOM 0 HB3 SER A 21 -19.824 1.628 11.842 1.00 55.40 H new ATOM 0 HG SER A 21 -21.265 3.396 11.421 1.00 21.54 H new ATOM 270 N TRP A 22 -16.964 4.703 12.672 1.00 32.33 N ATOM 271 CA TRP A 22 -16.765 5.710 13.707 1.00 53.22 C ATOM 272 C TRP A 22 -17.553 6.977 13.393 1.00 23.35 C ATOM 273 O TRP A 22 -17.770 7.314 12.229 1.00 2.15 O ATOM 274 CB TRP A 22 -15.278 6.042 13.845 1.00 13.30 C ATOM 275 CG TRP A 22 -14.465 4.910 14.395 1.00 73.33 C ATOM 276 CD1 TRP A 22 -13.712 4.020 13.683 1.00 53.24 C ATOM 277 CD2 TRP A 22 -14.327 4.543 15.772 1.00 64.41 C ATOM 278 NE1 TRP A 22 -13.113 3.124 14.535 1.00 75.44 N ATOM 279 CE2 TRP A 22 -13.474 3.424 15.822 1.00 1.12 C ATOM 280 CE3 TRP A 22 -14.839 5.053 16.968 1.00 62.43 C ATOM 281 CZ2 TRP A 22 -13.125 2.807 17.020 1.00 73.24 C ATOM 282 CZ3 TRP A 22 -14.492 4.441 18.157 1.00 33.21 C ATOM 283 CH2 TRP A 22 -13.640 3.328 18.177 1.00 5.34 C ATOM 0 H TRP A 22 -16.298 4.752 11.901 1.00 32.33 H new ATOM 0 HA TRP A 22 -17.129 5.302 14.650 1.00 53.22 H new ATOM 0 HB2 TRP A 22 -14.884 6.322 12.868 1.00 13.30 H new ATOM 0 HB3 TRP A 22 -15.166 6.910 14.495 1.00 13.30 H new ATOM 0 HD1 TRP A 22 -13.604 4.021 12.608 1.00 53.24 H new ATOM 0 HE1 TRP A 22 -12.499 2.359 14.255 1.00 75.44 H new ATOM 0 HE3 TRP A 22 -15.495 5.911 16.963 1.00 62.43 H new ATOM 0 HZ2 TRP A 22 -12.471 1.948 17.036 1.00 73.24 H new ATOM 0 HZ3 TRP A 22 -14.884 4.827 19.087 1.00 33.21 H new ATOM 0 HH2 TRP A 22 -13.385 2.873 19.123 1.00 5.34 H new ATOM 294 N THR A 23 -17.982 7.677 14.438 1.00 60.53 N ATOM 295 CA THR A 23 -18.748 8.906 14.274 1.00 4.33 C ATOM 296 C THR A 23 -18.137 10.047 15.079 1.00 64.43 C ATOM 297 O THR A 23 -17.824 9.889 16.259 1.00 13.00 O ATOM 298 CB THR A 23 -20.215 8.716 14.704 1.00 35.32 C ATOM 299 OG1 THR A 23 -20.705 7.456 14.231 1.00 73.34 O ATOM 300 CG2 THR A 23 -21.088 9.840 14.166 1.00 14.22 C ATOM 0 H THR A 23 -17.812 7.413 15.408 1.00 60.53 H new ATOM 0 HA THR A 23 -18.718 9.157 13.214 1.00 4.33 H new ATOM 0 HB THR A 23 -20.256 8.736 15.793 1.00 35.32 H new ATOM 0 HG1 THR A 23 -21.638 7.342 14.510 1.00 73.34 H new ATOM 0 HG21 THR A 23 -22.119 9.683 14.483 1.00 14.22 H new ATOM 0 HG22 THR A 23 -20.731 10.795 14.552 1.00 14.22 H new ATOM 0 HG23 THR A 23 -21.040 9.848 13.077 1.00 14.22 H new ATOM 308 N VAL A 24 -17.972 11.198 14.435 1.00 62.01 N ATOM 309 CA VAL A 24 -17.400 12.367 15.093 1.00 5.15 C ATOM 310 C VAL A 24 -18.265 13.603 14.866 1.00 32.03 C ATOM 311 O VAL A 24 -18.673 13.891 13.740 1.00 73.32 O ATOM 312 CB VAL A 24 -15.973 12.652 14.589 1.00 4.05 C ATOM 313 CG1 VAL A 24 -15.299 13.701 15.460 1.00 12.42 C ATOM 314 CG2 VAL A 24 -15.155 11.370 14.553 1.00 43.32 C ATOM 0 H VAL A 24 -18.226 11.346 13.458 1.00 62.01 H new ATOM 0 HA VAL A 24 -17.363 12.144 16.159 1.00 5.15 H new ATOM 0 HB VAL A 24 -16.036 13.044 13.574 1.00 4.05 H new ATOM 0 HG11 VAL A 24 -14.292 13.889 15.089 1.00 12.42 H new ATOM 0 HG12 VAL A 24 -15.876 14.625 15.429 1.00 12.42 H new ATOM 0 HG13 VAL A 24 -15.246 13.341 16.487 1.00 12.42 H new ATOM 0 HG21 VAL A 24 -14.149 11.590 14.194 1.00 43.32 H new ATOM 0 HG22 VAL A 24 -15.098 10.946 15.556 1.00 43.32 H new ATOM 0 HG23 VAL A 24 -15.630 10.654 13.883 1.00 43.32 H new ATOM 324 N LYS A 25 -18.540 14.330 15.942 1.00 61.32 N ATOM 325 CA LYS A 25 -19.354 15.537 15.863 1.00 63.11 C ATOM 326 C LYS A 25 -18.828 16.612 16.809 1.00 22.44 C ATOM 327 O LYS A 25 -18.609 16.357 17.993 1.00 22.11 O ATOM 328 CB LYS A 25 -20.813 15.216 16.199 1.00 50.11 C ATOM 329 CG LYS A 25 -21.711 16.440 16.236 1.00 21.25 C ATOM 330 CD LYS A 25 -23.019 16.194 15.501 1.00 71.51 C ATOM 331 CE LYS A 25 -24.206 16.741 16.278 1.00 43.44 C ATOM 332 NZ LYS A 25 -25.485 16.560 15.536 1.00 65.13 N ATOM 0 H LYS A 25 -18.211 14.105 16.881 1.00 61.32 H new ATOM 0 HA LYS A 25 -19.297 15.917 14.843 1.00 63.11 H new ATOM 0 HB2 LYS A 25 -21.201 14.513 15.462 1.00 50.11 H new ATOM 0 HB3 LYS A 25 -20.853 14.717 17.167 1.00 50.11 H new ATOM 0 HG2 LYS A 25 -21.919 16.708 17.272 1.00 21.25 H new ATOM 0 HG3 LYS A 25 -21.193 17.286 15.785 1.00 21.25 H new ATOM 0 HD2 LYS A 25 -22.979 16.663 14.518 1.00 71.51 H new ATOM 0 HD3 LYS A 25 -23.151 15.124 15.339 1.00 71.51 H new ATOM 0 HE2 LYS A 25 -24.271 16.238 17.243 1.00 43.44 H new ATOM 0 HE3 LYS A 25 -24.050 17.801 16.481 1.00 43.44 H new ATOM 0 HZ1 LYS A 25 -26.270 16.946 16.098 1.00 65.13 H new ATOM 0 HZ2 LYS A 25 -25.432 17.061 14.626 1.00 65.13 H new ATOM 0 HZ3 LYS A 25 -25.647 15.547 15.365 1.00 65.13 H new ATOM 346 N ASN A 26 -18.629 17.815 16.279 1.00 33.35 N ATOM 347 CA ASN A 26 -18.129 18.928 17.077 1.00 64.25 C ATOM 348 C ASN A 26 -19.251 19.909 17.404 1.00 61.54 C ATOM 349 O ASN A 26 -20.193 20.074 16.629 1.00 3.12 O ATOM 350 CB ASN A 26 -17.005 19.651 16.334 1.00 53.33 C ATOM 351 CG ASN A 26 -16.144 18.703 15.523 1.00 11.30 C ATOM 352 OD1 ASN A 26 -15.660 17.694 16.036 1.00 52.11 O ATOM 353 ND2 ASN A 26 -15.949 19.024 14.248 1.00 60.54 N ATOM 0 H ASN A 26 -18.806 18.043 15.301 1.00 33.35 H new ATOM 0 HA ASN A 26 -17.737 18.526 18.011 1.00 64.25 H new ATOM 0 HB2 ASN A 26 -17.436 20.402 15.672 1.00 53.33 H new ATOM 0 HB3 ASN A 26 -16.380 20.180 17.053 1.00 53.33 H new ATOM 0 HD21 ASN A 26 -15.378 18.424 13.652 1.00 60.54 H new ATOM 0 HD22 ASN A 26 -16.370 19.870 13.865 1.00 60.54 H new ATOM 360 N THR A 27 -19.144 20.558 18.560 1.00 41.53 N ATOM 361 CA THR A 27 -20.148 21.523 18.990 1.00 64.21 C ATOM 362 C THR A 27 -19.703 22.255 20.251 1.00 34.42 C ATOM 363 O THR A 27 -18.799 21.805 20.955 1.00 22.01 O ATOM 364 CB THR A 27 -21.503 20.840 19.259 1.00 0.51 C ATOM 365 OG1 THR A 27 -22.491 21.824 19.584 1.00 65.04 O ATOM 366 CG2 THR A 27 -21.387 19.834 20.394 1.00 2.34 C ATOM 0 H THR A 27 -18.372 20.432 19.215 1.00 41.53 H new ATOM 0 HA THR A 27 -20.265 22.241 18.178 1.00 64.21 H new ATOM 0 HB THR A 27 -21.803 20.309 18.356 1.00 0.51 H new ATOM 0 HG1 THR A 27 -23.350 21.382 19.752 1.00 65.04 H new ATOM 0 HG21 THR A 27 -22.356 19.365 20.565 1.00 2.34 H new ATOM 0 HG22 THR A 27 -20.656 19.070 20.130 1.00 2.34 H new ATOM 0 HG23 THR A 27 -21.066 20.345 21.302 1.00 2.34 H new ATOM 374 N GLY A 28 -20.345 23.385 20.533 1.00 14.31 N ATOM 375 CA GLY A 28 -20.000 24.161 21.710 1.00 21.24 C ATOM 376 C GLY A 28 -18.766 25.015 21.500 1.00 51.54 C ATOM 377 O GLY A 28 -18.867 26.226 21.300 1.00 74.53 O ATOM 0 H GLY A 28 -21.098 23.777 19.967 1.00 14.31 H new ATOM 0 HA2 GLY A 28 -20.840 24.802 21.978 1.00 21.24 H new ATOM 0 HA3 GLY A 28 -19.833 23.487 22.550 1.00 21.24 H new ATOM 381 N THR A 29 -17.597 24.385 21.547 1.00 15.01 N ATOM 382 CA THR A 29 -16.337 25.096 21.364 1.00 24.51 C ATOM 383 C THR A 29 -16.300 25.812 20.019 1.00 63.11 C ATOM 384 O THR A 29 -17.188 25.633 19.184 1.00 61.32 O ATOM 385 CB THR A 29 -15.133 24.140 21.457 1.00 33.35 C ATOM 386 OG1 THR A 29 -13.914 24.890 21.494 1.00 14.10 O ATOM 387 CG2 THR A 29 -15.110 23.183 20.275 1.00 32.21 C ATOM 0 H THR A 29 -17.496 23.383 21.710 1.00 15.01 H new ATOM 0 HA THR A 29 -16.270 25.831 22.166 1.00 24.51 H new ATOM 0 HB THR A 29 -15.229 23.558 22.374 1.00 33.35 H new ATOM 0 HG1 THR A 29 -13.515 24.823 22.387 1.00 14.10 H new ATOM 0 HG21 THR A 29 -14.251 22.518 20.362 1.00 32.21 H new ATOM 0 HG22 THR A 29 -16.027 22.593 20.267 1.00 32.21 H new ATOM 0 HG23 THR A 29 -15.036 23.752 19.348 1.00 32.21 H new ATOM 395 N THR A 30 -15.268 26.623 19.813 1.00 44.15 N ATOM 396 CA THR A 30 -15.116 27.368 18.570 1.00 12.34 C ATOM 397 C THR A 30 -14.816 26.432 17.403 1.00 61.03 C ATOM 398 O THR A 30 -14.872 25.211 17.545 1.00 44.21 O ATOM 399 CB THR A 30 -13.992 28.415 18.674 1.00 63.51 C ATOM 400 OG1 THR A 30 -12.718 27.763 18.725 1.00 43.43 O ATOM 401 CG2 THR A 30 -14.175 29.281 19.912 1.00 53.34 C ATOM 0 H THR A 30 -14.524 26.781 20.492 1.00 44.15 H new ATOM 0 HA THR A 30 -16.062 27.879 18.391 1.00 12.34 H new ATOM 0 HB THR A 30 -14.036 29.054 17.792 1.00 63.51 H new ATOM 0 HG1 THR A 30 -12.008 28.436 18.789 1.00 43.43 H new ATOM 0 HG21 THR A 30 -13.370 30.014 19.966 1.00 53.34 H new ATOM 0 HG22 THR A 30 -15.133 29.798 19.856 1.00 53.34 H new ATOM 0 HG23 THR A 30 -14.153 28.652 20.802 1.00 53.34 H new ATOM 409 N SER A 31 -14.497 27.014 16.252 1.00 32.23 N ATOM 410 CA SER A 31 -14.190 26.232 15.059 1.00 64.22 C ATOM 411 C SER A 31 -12.975 25.339 15.293 1.00 55.14 C ATOM 412 O SER A 31 -11.893 25.820 15.635 1.00 5.43 O ATOM 413 CB SER A 31 -13.937 27.157 13.868 1.00 53.41 C ATOM 414 OG SER A 31 -14.419 26.585 12.665 1.00 32.11 O ATOM 0 H SER A 31 -14.444 28.024 16.119 1.00 32.23 H new ATOM 0 HA SER A 31 -15.048 25.597 14.840 1.00 64.22 H new ATOM 0 HB2 SER A 31 -14.425 28.116 14.039 1.00 53.41 H new ATOM 0 HB3 SER A 31 -12.869 27.354 13.778 1.00 53.41 H new ATOM 0 HG SER A 31 -14.253 25.619 12.673 1.00 32.11 H new ATOM 420 N LEU A 32 -13.160 24.037 15.106 1.00 63.23 N ATOM 421 CA LEU A 32 -12.080 23.076 15.296 1.00 72.01 C ATOM 422 C LEU A 32 -10.945 23.331 14.310 1.00 14.32 C ATOM 423 O LEU A 32 -11.090 24.111 13.368 1.00 60.23 O ATOM 424 CB LEU A 32 -12.605 21.649 15.128 1.00 71.40 C ATOM 425 CG LEU A 32 -12.954 20.906 16.419 1.00 51.41 C ATOM 426 CD1 LEU A 32 -14.171 21.531 17.082 1.00 61.02 C ATOM 427 CD2 LEU A 32 -13.198 19.431 16.136 1.00 54.52 C ATOM 0 H LEU A 32 -14.048 23.623 14.823 1.00 63.23 H new ATOM 0 HA LEU A 32 -11.693 23.198 16.308 1.00 72.01 H new ATOM 0 HB2 LEU A 32 -13.495 21.682 14.500 1.00 71.40 H new ATOM 0 HB3 LEU A 32 -11.856 21.069 14.589 1.00 71.40 H new ATOM 0 HG LEU A 32 -12.110 20.990 17.103 1.00 51.41 H new ATOM 0 HD11 LEU A 32 -14.404 20.989 17.999 1.00 61.02 H new ATOM 0 HD12 LEU A 32 -13.960 22.574 17.320 1.00 61.02 H new ATOM 0 HD13 LEU A 32 -15.022 21.479 16.403 1.00 61.02 H new ATOM 0 HD21 LEU A 32 -13.445 18.918 17.066 1.00 54.52 H new ATOM 0 HD22 LEU A 32 -14.025 19.327 15.434 1.00 54.52 H new ATOM 0 HD23 LEU A 32 -12.299 18.989 15.706 1.00 54.52 H new ATOM 439 N SER A 33 -9.815 22.666 14.530 1.00 60.53 N ATOM 440 CA SER A 33 -8.653 22.822 13.662 1.00 22.44 C ATOM 441 C SER A 33 -8.305 21.502 12.980 1.00 61.43 C ATOM 442 O SER A 33 -7.571 21.476 11.993 1.00 11.22 O ATOM 443 CB SER A 33 -7.453 23.326 14.465 1.00 64.43 C ATOM 444 OG SER A 33 -6.603 24.127 13.664 1.00 1.13 O ATOM 0 H SER A 33 -9.679 22.014 15.302 1.00 60.53 H new ATOM 0 HA SER A 33 -8.900 23.555 12.894 1.00 22.44 H new ATOM 0 HB2 SER A 33 -7.801 23.904 15.321 1.00 64.43 H new ATOM 0 HB3 SER A 33 -6.893 22.478 14.859 1.00 64.43 H new ATOM 0 HG SER A 33 -5.845 24.438 14.201 1.00 1.13 H new ATOM 450 N SER A 34 -8.837 20.408 13.516 1.00 4.32 N ATOM 451 CA SER A 34 -8.579 19.084 12.961 1.00 24.43 C ATOM 452 C SER A 34 -9.285 18.006 13.779 1.00 74.45 C ATOM 453 O SER A 34 -9.438 18.135 14.994 1.00 63.24 O ATOM 454 CB SER A 34 -7.076 18.808 12.922 1.00 21.32 C ATOM 455 OG SER A 34 -6.380 19.643 13.831 1.00 11.13 O ATOM 0 H SER A 34 -9.448 20.412 14.333 1.00 4.32 H new ATOM 0 HA SER A 34 -8.971 19.060 11.944 1.00 24.43 H new ATOM 0 HB2 SER A 34 -6.889 17.763 13.167 1.00 21.32 H new ATOM 0 HB3 SER A 34 -6.699 18.971 11.912 1.00 21.32 H new ATOM 0 HG SER A 34 -5.421 19.446 13.788 1.00 11.13 H new ATOM 461 N TRP A 35 -9.711 16.944 13.106 1.00 52.54 N ATOM 462 CA TRP A 35 -10.400 15.844 13.770 1.00 22.13 C ATOM 463 C TRP A 35 -9.698 14.518 13.496 1.00 15.14 C ATOM 464 O TRP A 35 -9.409 14.181 12.347 1.00 43.15 O ATOM 465 CB TRP A 35 -11.855 15.770 13.304 1.00 1.35 C ATOM 466 CG TRP A 35 -11.998 15.388 11.861 1.00 64.22 C ATOM 467 CD1 TRP A 35 -12.092 16.237 10.795 1.00 24.43 C ATOM 468 CD2 TRP A 35 -12.065 14.061 11.329 1.00 23.01 C ATOM 469 NE1 TRP A 35 -12.214 15.516 9.631 1.00 63.40 N ATOM 470 CE2 TRP A 35 -12.199 14.180 9.931 1.00 20.54 C ATOM 471 CE3 TRP A 35 -12.023 12.785 11.896 1.00 5.15 C ATOM 472 CZ2 TRP A 35 -12.292 13.070 9.096 1.00 1.21 C ATOM 473 CZ3 TRP A 35 -12.117 11.684 11.065 1.00 53.21 C ATOM 474 CH2 TRP A 35 -12.249 11.832 9.678 1.00 15.40 C ATOM 0 H TRP A 35 -9.591 16.821 12.101 1.00 52.54 H new ATOM 0 HA TRP A 35 -10.379 16.031 14.844 1.00 22.13 H new ATOM 0 HB2 TRP A 35 -12.390 15.046 13.919 1.00 1.35 H new ATOM 0 HB3 TRP A 35 -12.330 16.738 13.465 1.00 1.35 H new ATOM 0 HD1 TRP A 35 -12.073 17.315 10.857 1.00 24.43 H new ATOM 0 HE1 TRP A 35 -12.302 15.912 8.695 1.00 63.40 H new ATOM 0 HE3 TRP A 35 -11.919 12.661 12.964 1.00 5.15 H new ATOM 0 HZ2 TRP A 35 -12.394 13.182 8.027 1.00 1.21 H new ATOM 0 HZ3 TRP A 35 -12.088 10.693 11.492 1.00 53.21 H new ATOM 0 HH2 TRP A 35 -12.318 10.952 9.056 1.00 15.40 H new ATOM 485 N THR A 36 -9.426 13.767 14.559 1.00 34.34 N ATOM 486 CA THR A 36 -8.756 12.477 14.432 1.00 64.13 C ATOM 487 C THR A 36 -9.164 11.534 15.558 1.00 60.44 C ATOM 488 O THR A 36 -9.008 11.854 16.737 1.00 71.42 O ATOM 489 CB THR A 36 -7.225 12.637 14.441 1.00 2.22 C ATOM 490 OG1 THR A 36 -6.813 13.471 13.352 1.00 53.02 O ATOM 491 CG2 THR A 36 -6.540 11.283 14.337 1.00 14.52 C ATOM 0 H THR A 36 -9.659 14.029 15.517 1.00 34.34 H new ATOM 0 HA THR A 36 -9.064 12.053 13.476 1.00 64.13 H new ATOM 0 HB THR A 36 -6.935 13.102 15.383 1.00 2.22 H new ATOM 0 HG1 THR A 36 -5.838 13.569 13.366 1.00 53.02 H new ATOM 0 HG21 THR A 36 -5.459 11.421 14.345 1.00 14.52 H new ATOM 0 HG22 THR A 36 -6.833 10.661 15.183 1.00 14.52 H new ATOM 0 HG23 THR A 36 -6.837 10.796 13.408 1.00 14.52 H new ATOM 499 N VAL A 37 -9.687 10.370 15.188 1.00 52.01 N ATOM 500 CA VAL A 37 -10.116 9.378 16.168 1.00 1.31 C ATOM 501 C VAL A 37 -9.109 8.237 16.271 1.00 51.33 C ATOM 502 O VAL A 37 -9.026 7.388 15.385 1.00 32.41 O ATOM 503 CB VAL A 37 -11.497 8.798 15.811 1.00 65.23 C ATOM 504 CG1 VAL A 37 -12.057 7.997 16.977 1.00 64.21 C ATOM 505 CG2 VAL A 37 -12.454 9.910 15.410 1.00 2.13 C ATOM 0 H VAL A 37 -9.824 10.090 14.217 1.00 52.01 H new ATOM 0 HA VAL A 37 -10.182 9.889 17.129 1.00 1.31 H new ATOM 0 HB VAL A 37 -11.381 8.125 14.961 1.00 65.23 H new ATOM 0 HG11 VAL A 37 -13.033 7.595 16.707 1.00 64.21 H new ATOM 0 HG12 VAL A 37 -11.379 7.177 17.214 1.00 64.21 H new ATOM 0 HG13 VAL A 37 -12.160 8.645 17.847 1.00 64.21 H new ATOM 0 HG21 VAL A 37 -13.425 9.482 15.161 1.00 2.13 H new ATOM 0 HG22 VAL A 37 -12.567 10.609 16.239 1.00 2.13 H new ATOM 0 HG23 VAL A 37 -12.057 10.437 14.543 1.00 2.13 H new ATOM 515 N GLU A 38 -8.346 8.226 17.360 1.00 23.22 N ATOM 516 CA GLU A 38 -7.345 7.189 17.579 1.00 53.44 C ATOM 517 C GLU A 38 -7.735 6.294 18.752 1.00 21.04 C ATOM 518 O GLU A 38 -8.418 6.730 19.679 1.00 52.40 O ATOM 519 CB GLU A 38 -5.974 7.819 17.838 1.00 64.21 C ATOM 520 CG GLU A 38 -5.798 9.180 17.187 1.00 50.23 C ATOM 521 CD GLU A 38 -4.353 9.644 17.187 1.00 25.13 C ATOM 522 OE1 GLU A 38 -3.499 8.918 17.735 1.00 34.45 O ATOM 523 OE2 GLU A 38 -4.079 10.731 16.638 1.00 21.13 O ATOM 0 H GLU A 38 -8.402 8.923 18.103 1.00 23.22 H new ATOM 0 HA GLU A 38 -7.292 6.576 16.679 1.00 53.44 H new ATOM 0 HB2 GLU A 38 -5.826 7.918 18.913 1.00 64.21 H new ATOM 0 HB3 GLU A 38 -5.199 7.147 17.470 1.00 64.21 H new ATOM 0 HG2 GLU A 38 -6.162 9.138 16.161 1.00 50.23 H new ATOM 0 HG3 GLU A 38 -6.411 9.912 17.713 1.00 50.23 H new ATOM 530 N TRP A 39 -7.299 5.041 18.703 1.00 13.35 N ATOM 531 CA TRP A 39 -7.602 4.084 19.761 1.00 3.45 C ATOM 532 C TRP A 39 -6.501 3.036 19.879 1.00 23.44 C ATOM 533 O TRP A 39 -5.603 2.967 19.040 1.00 43.51 O ATOM 534 CB TRP A 39 -8.945 3.403 19.489 1.00 35.31 C ATOM 535 CG TRP A 39 -9.618 3.891 18.241 1.00 71.22 C ATOM 536 CD1 TRP A 39 -10.686 4.738 18.166 1.00 1.54 C ATOM 537 CD2 TRP A 39 -9.267 3.560 16.894 1.00 25.12 C ATOM 538 NE1 TRP A 39 -11.022 4.953 16.850 1.00 34.51 N ATOM 539 CE2 TRP A 39 -10.167 4.242 16.050 1.00 52.03 C ATOM 540 CE3 TRP A 39 -8.282 2.755 16.316 1.00 11.20 C ATOM 541 CZ2 TRP A 39 -10.106 4.142 14.663 1.00 24.14 C ATOM 542 CZ3 TRP A 39 -8.224 2.657 14.940 1.00 11.44 C ATOM 543 CH2 TRP A 39 -9.131 3.347 14.125 1.00 24.21 C ATOM 0 H TRP A 39 -6.734 4.664 17.942 1.00 13.35 H new ATOM 0 HA TRP A 39 -7.662 4.628 20.704 1.00 3.45 H new ATOM 0 HB2 TRP A 39 -8.789 2.327 19.412 1.00 35.31 H new ATOM 0 HB3 TRP A 39 -9.607 3.569 20.339 1.00 35.31 H new ATOM 0 HD1 TRP A 39 -11.192 5.174 19.014 1.00 1.54 H new ATOM 0 HE1 TRP A 39 -11.785 5.546 16.522 1.00 34.51 H new ATOM 0 HE3 TRP A 39 -7.578 2.219 16.935 1.00 11.20 H new ATOM 0 HZ2 TRP A 39 -10.804 4.674 14.033 1.00 24.14 H new ATOM 0 HZ3 TRP A 39 -7.466 2.037 14.484 1.00 11.44 H new ATOM 0 HH2 TRP A 39 -9.059 3.250 13.052 1.00 24.21 H new ATOM 554 N ASP A 40 -6.577 2.221 20.925 1.00 1.22 N ATOM 555 CA ASP A 40 -5.587 1.175 21.153 1.00 11.22 C ATOM 556 C ASP A 40 -6.092 -0.172 20.642 1.00 72.35 C ATOM 557 O ASP A 40 -7.209 -0.585 20.952 1.00 24.22 O ATOM 558 CB ASP A 40 -5.250 1.076 22.641 1.00 70.15 C ATOM 559 CG ASP A 40 -3.762 1.196 22.907 1.00 30.44 C ATOM 560 OD1 ASP A 40 -3.173 2.229 22.527 1.00 35.31 O ATOM 561 OD2 ASP A 40 -3.187 0.255 23.496 1.00 3.32 O ATOM 0 H ASP A 40 -7.314 2.264 21.629 1.00 1.22 H new ATOM 0 HA ASP A 40 -4.684 1.438 20.602 1.00 11.22 H new ATOM 0 HB2 ASP A 40 -5.777 1.861 23.183 1.00 70.15 H new ATOM 0 HB3 ASP A 40 -5.610 0.123 23.029 1.00 70.15 H new ATOM 566 N PHE A 41 -5.261 -0.850 19.859 1.00 34.24 N ATOM 567 CA PHE A 41 -5.623 -2.150 19.304 1.00 1.22 C ATOM 568 C PHE A 41 -4.745 -3.254 19.884 1.00 61.42 C ATOM 569 O PHE A 41 -3.853 -3.786 19.223 1.00 20.25 O ATOM 570 CB PHE A 41 -5.495 -2.130 17.779 1.00 62.45 C ATOM 571 CG PHE A 41 -6.776 -1.785 17.075 1.00 1.23 C ATOM 572 CD1 PHE A 41 -7.684 -0.909 17.648 1.00 55.40 C ATOM 573 CD2 PHE A 41 -7.074 -2.337 15.839 1.00 54.32 C ATOM 574 CE1 PHE A 41 -8.863 -0.589 17.003 1.00 44.32 C ATOM 575 CE2 PHE A 41 -8.250 -2.020 15.188 1.00 64.31 C ATOM 576 CZ PHE A 41 -9.147 -1.145 15.771 1.00 34.34 C ATOM 0 H PHE A 41 -4.332 -0.522 19.594 1.00 34.24 H new ATOM 0 HA PHE A 41 -6.659 -2.356 19.573 1.00 1.22 H new ATOM 0 HB2 PHE A 41 -4.728 -1.409 17.496 1.00 62.45 H new ATOM 0 HB3 PHE A 41 -5.154 -3.108 17.438 1.00 62.45 H new ATOM 0 HD1 PHE A 41 -7.467 -0.471 18.611 1.00 55.40 H new ATOM 0 HD2 PHE A 41 -6.378 -3.023 15.379 1.00 54.32 H new ATOM 0 HE1 PHE A 41 -9.562 0.095 17.462 1.00 44.32 H new ATOM 0 HE2 PHE A 41 -8.469 -2.455 14.224 1.00 64.31 H new ATOM 0 HZ PHE A 41 -10.068 -0.897 15.264 1.00 34.34 H new ATOM 586 N PRO A 42 -5.000 -3.607 21.153 1.00 23.32 N ATOM 587 CA PRO A 42 -4.245 -4.650 21.852 1.00 40.12 C ATOM 588 C PRO A 42 -4.535 -6.043 21.304 1.00 53.51 C ATOM 589 O PRO A 42 -3.617 -6.803 20.993 1.00 63.42 O ATOM 590 CB PRO A 42 -4.733 -4.533 23.298 1.00 65.30 C ATOM 591 CG PRO A 42 -6.093 -3.934 23.192 1.00 62.30 C ATOM 592 CD PRO A 42 -6.048 -3.015 22.003 1.00 41.31 C ATOM 0 HA PRO A 42 -3.169 -4.518 21.738 1.00 40.12 H new ATOM 0 HB2 PRO A 42 -4.767 -5.508 23.784 1.00 65.30 H new ATOM 0 HB3 PRO A 42 -4.069 -3.904 23.890 1.00 65.30 H new ATOM 0 HG2 PRO A 42 -6.851 -4.706 23.060 1.00 62.30 H new ATOM 0 HG3 PRO A 42 -6.350 -3.387 24.099 1.00 62.30 H new ATOM 0 HD2 PRO A 42 -7.008 -2.976 21.489 1.00 41.31 H new ATOM 0 HD3 PRO A 42 -5.801 -1.994 22.293 1.00 41.31 H new ATOM 600 N THR A 43 -5.817 -6.372 21.184 1.00 62.13 N ATOM 601 CA THR A 43 -6.228 -7.673 20.673 1.00 23.02 C ATOM 602 C THR A 43 -5.989 -7.774 19.171 1.00 30.45 C ATOM 603 O THR A 43 -6.123 -6.792 18.444 1.00 44.34 O ATOM 604 CB THR A 43 -7.716 -7.948 20.964 1.00 50.13 C ATOM 605 OG1 THR A 43 -8.044 -9.295 20.609 1.00 24.31 O ATOM 606 CG2 THR A 43 -8.605 -6.983 20.194 1.00 40.23 C ATOM 0 H THR A 43 -6.589 -5.754 21.434 1.00 62.13 H new ATOM 0 HA THR A 43 -5.622 -8.419 21.186 1.00 23.02 H new ATOM 0 HB THR A 43 -7.888 -7.803 22.030 1.00 50.13 H new ATOM 0 HG1 THR A 43 -8.991 -9.462 20.799 1.00 24.31 H new ATOM 0 HG21 THR A 43 -9.651 -7.196 20.415 1.00 40.23 H new ATOM 0 HG22 THR A 43 -8.373 -5.960 20.490 1.00 40.23 H new ATOM 0 HG23 THR A 43 -8.429 -7.101 19.125 1.00 40.23 H new ATOM 614 N GLY A 44 -5.635 -8.970 18.711 1.00 22.13 N ATOM 615 CA GLY A 44 -5.385 -9.178 17.297 1.00 10.31 C ATOM 616 C GLY A 44 -6.347 -8.403 16.418 1.00 11.15 C ATOM 617 O GLY A 44 -7.476 -8.838 16.187 1.00 45.11 O ATOM 0 H GLY A 44 -5.517 -9.799 19.293 1.00 22.13 H new ATOM 0 HA2 GLY A 44 -4.363 -8.879 17.064 1.00 10.31 H new ATOM 0 HA3 GLY A 44 -5.466 -10.241 17.069 1.00 10.31 H new ATOM 621 N THR A 45 -5.901 -7.252 15.926 1.00 32.03 N ATOM 622 CA THR A 45 -6.732 -6.414 15.070 1.00 51.50 C ATOM 623 C THR A 45 -5.877 -5.531 14.169 1.00 15.13 C ATOM 624 O THR A 45 -4.729 -5.220 14.493 1.00 3.03 O ATOM 625 CB THR A 45 -7.673 -5.522 15.900 1.00 51.10 C ATOM 626 OG1 THR A 45 -6.957 -4.938 16.995 1.00 1.14 O ATOM 627 CG2 THR A 45 -8.852 -6.323 16.429 1.00 34.35 C ATOM 0 H THR A 45 -4.969 -6.878 16.105 1.00 32.03 H new ATOM 0 HA THR A 45 -7.330 -7.086 14.454 1.00 51.50 H new ATOM 0 HB THR A 45 -8.052 -4.732 15.252 1.00 51.10 H new ATOM 0 HG1 THR A 45 -7.041 -3.962 16.958 1.00 1.14 H new ATOM 0 HG21 THR A 45 -9.502 -5.671 17.012 1.00 34.35 H new ATOM 0 HG22 THR A 45 -9.412 -6.741 15.593 1.00 34.35 H new ATOM 0 HG23 THR A 45 -8.488 -7.132 17.062 1.00 34.35 H new ATOM 635 N LYS A 46 -6.440 -5.128 13.035 1.00 45.12 N ATOM 636 CA LYS A 46 -5.731 -4.278 12.086 1.00 53.10 C ATOM 637 C LYS A 46 -6.654 -3.837 10.955 1.00 34.04 C ATOM 638 O LYS A 46 -7.347 -4.656 10.351 1.00 34.43 O ATOM 639 CB LYS A 46 -4.521 -5.019 11.513 1.00 72.41 C ATOM 640 CG LYS A 46 -4.862 -6.375 10.921 1.00 10.35 C ATOM 641 CD LYS A 46 -3.613 -7.128 10.494 1.00 53.21 C ATOM 642 CE LYS A 46 -2.735 -7.472 11.687 1.00 52.12 C ATOM 643 NZ LYS A 46 -1.837 -8.625 11.401 1.00 0.43 N ATOM 0 H LYS A 46 -7.387 -5.377 12.750 1.00 45.12 H new ATOM 0 HA LYS A 46 -5.388 -3.390 12.617 1.00 53.10 H new ATOM 0 HB2 LYS A 46 -4.059 -4.402 10.743 1.00 72.41 H new ATOM 0 HB3 LYS A 46 -3.780 -5.152 12.302 1.00 72.41 H new ATOM 0 HG2 LYS A 46 -5.411 -6.966 11.655 1.00 10.35 H new ATOM 0 HG3 LYS A 46 -5.520 -6.243 10.062 1.00 10.35 H new ATOM 0 HD2 LYS A 46 -3.898 -8.043 9.975 1.00 53.21 H new ATOM 0 HD3 LYS A 46 -3.046 -6.523 9.786 1.00 53.21 H new ATOM 0 HE2 LYS A 46 -2.135 -6.603 11.959 1.00 52.12 H new ATOM 0 HE3 LYS A 46 -3.364 -7.706 12.546 1.00 52.12 H new ATOM 0 HZ1 LYS A 46 -1.255 -8.828 12.239 1.00 0.43 H new ATOM 0 HZ2 LYS A 46 -2.409 -9.461 11.166 1.00 0.43 H new ATOM 0 HZ3 LYS A 46 -1.218 -8.392 10.598 1.00 0.43 H new ATOM 657 N VAL A 47 -6.656 -2.539 10.670 1.00 64.54 N ATOM 658 CA VAL A 47 -7.492 -1.990 9.610 1.00 41.31 C ATOM 659 C VAL A 47 -6.872 -2.236 8.239 1.00 13.55 C ATOM 660 O VAL A 47 -5.881 -1.605 7.870 1.00 74.02 O ATOM 661 CB VAL A 47 -7.714 -0.478 9.795 1.00 61.13 C ATOM 662 CG1 VAL A 47 -8.518 0.091 8.636 1.00 53.31 C ATOM 663 CG2 VAL A 47 -8.407 -0.200 11.122 1.00 0.54 C ATOM 0 H VAL A 47 -6.087 -1.848 11.159 1.00 64.54 H new ATOM 0 HA VAL A 47 -8.453 -2.501 9.669 1.00 41.31 H new ATOM 0 HB VAL A 47 -6.742 0.015 9.807 1.00 61.13 H new ATOM 0 HG11 VAL A 47 -8.664 1.161 8.785 1.00 53.31 H new ATOM 0 HG12 VAL A 47 -7.979 -0.075 7.703 1.00 53.31 H new ATOM 0 HG13 VAL A 47 -9.488 -0.405 8.588 1.00 53.31 H new ATOM 0 HG21 VAL A 47 -8.556 0.874 11.237 1.00 0.54 H new ATOM 0 HG22 VAL A 47 -9.373 -0.705 11.141 1.00 0.54 H new ATOM 0 HG23 VAL A 47 -7.789 -0.570 11.940 1.00 0.54 H new ATOM 673 N THR A 48 -7.462 -3.159 7.485 1.00 33.53 N ATOM 674 CA THR A 48 -6.968 -3.491 6.155 1.00 13.21 C ATOM 675 C THR A 48 -7.058 -2.290 5.220 1.00 73.44 C ATOM 676 O THR A 48 -6.089 -1.943 4.546 1.00 13.41 O ATOM 677 CB THR A 48 -7.753 -4.665 5.540 1.00 42.22 C ATOM 678 OG1 THR A 48 -8.020 -5.653 6.542 1.00 24.13 O ATOM 679 CG2 THR A 48 -6.975 -5.295 4.394 1.00 75.20 C ATOM 0 H THR A 48 -8.284 -3.690 7.774 1.00 33.53 H new ATOM 0 HA THR A 48 -5.924 -3.782 6.270 1.00 13.21 H new ATOM 0 HB THR A 48 -8.695 -4.279 5.150 1.00 42.22 H new ATOM 0 HG1 THR A 48 -8.521 -6.395 6.144 1.00 24.13 H new ATOM 0 HG21 THR A 48 -7.549 -6.122 3.976 1.00 75.20 H new ATOM 0 HG22 THR A 48 -6.798 -4.548 3.620 1.00 75.20 H new ATOM 0 HG23 THR A 48 -6.020 -5.667 4.764 1.00 75.20 H new ATOM 687 N SER A 49 -8.226 -1.658 5.187 1.00 3.11 N ATOM 688 CA SER A 49 -8.443 -0.497 4.332 1.00 22.11 C ATOM 689 C SER A 49 -9.379 0.504 5.002 1.00 63.04 C ATOM 690 O SER A 49 -10.356 0.122 5.646 1.00 51.33 O ATOM 691 CB SER A 49 -9.023 -0.930 2.984 1.00 61.23 C ATOM 692 OG SER A 49 -8.005 -1.045 2.004 1.00 34.20 O ATOM 0 H SER A 49 -9.037 -1.930 5.742 1.00 3.11 H new ATOM 0 HA SER A 49 -7.480 -0.014 4.167 1.00 22.11 H new ATOM 0 HB2 SER A 49 -9.535 -1.886 3.095 1.00 61.23 H new ATOM 0 HB3 SER A 49 -9.768 -0.206 2.656 1.00 61.23 H new ATOM 0 HG SER A 49 -8.401 -1.325 1.152 1.00 34.20 H new ATOM 698 N ALA A 50 -9.072 1.788 4.846 1.00 11.14 N ATOM 699 CA ALA A 50 -9.886 2.845 5.434 1.00 71.03 C ATOM 700 C ALA A 50 -10.317 3.857 4.378 1.00 63.13 C ATOM 701 O ALA A 50 -9.523 4.257 3.527 1.00 53.11 O ATOM 702 CB ALA A 50 -9.122 3.538 6.552 1.00 62.43 C ATOM 0 H ALA A 50 -8.266 2.121 4.317 1.00 11.14 H new ATOM 0 HA ALA A 50 -10.784 2.390 5.851 1.00 71.03 H new ATOM 0 HB1 ALA A 50 -9.741 4.325 6.982 1.00 62.43 H new ATOM 0 HB2 ALA A 50 -8.869 2.812 7.325 1.00 62.43 H new ATOM 0 HB3 ALA A 50 -8.207 3.974 6.151 1.00 62.43 H new ATOM 708 N TRP A 51 -11.579 4.267 4.439 1.00 30.05 N ATOM 709 CA TRP A 51 -12.115 5.232 3.486 1.00 62.41 C ATOM 710 C TRP A 51 -12.646 6.467 4.204 1.00 64.20 C ATOM 711 O TRP A 51 -13.218 6.367 5.290 1.00 41.23 O ATOM 712 CB TRP A 51 -13.228 4.594 2.653 1.00 25.41 C ATOM 713 CG TRP A 51 -14.251 3.875 3.480 1.00 42.23 C ATOM 714 CD1 TRP A 51 -15.291 4.435 4.166 1.00 70.12 C ATOM 715 CD2 TRP A 51 -14.331 2.464 3.707 1.00 62.32 C ATOM 716 NE1 TRP A 51 -16.012 3.457 4.807 1.00 32.22 N ATOM 717 CE2 TRP A 51 -15.445 2.240 4.541 1.00 35.51 C ATOM 718 CE3 TRP A 51 -13.572 1.368 3.287 1.00 61.33 C ATOM 719 CZ2 TRP A 51 -15.814 0.964 4.962 1.00 21.15 C ATOM 720 CZ3 TRP A 51 -13.940 0.104 3.706 1.00 22.23 C ATOM 721 CH2 TRP A 51 -15.053 -0.090 4.535 1.00 31.54 C ATOM 0 H TRP A 51 -12.250 3.947 5.138 1.00 30.05 H new ATOM 0 HA TRP A 51 -11.306 5.539 2.823 1.00 62.41 H new ATOM 0 HB2 TRP A 51 -13.724 5.369 2.068 1.00 25.41 H new ATOM 0 HB3 TRP A 51 -12.786 3.893 1.945 1.00 25.41 H new ATOM 0 HD1 TRP A 51 -15.514 5.491 4.200 1.00 70.12 H new ATOM 0 HE1 TRP A 51 -16.836 3.613 5.387 1.00 32.22 H new ATOM 0 HE3 TRP A 51 -12.713 1.507 2.647 1.00 61.33 H new ATOM 0 HZ2 TRP A 51 -16.670 0.812 5.603 1.00 21.15 H new ATOM 0 HZ3 TRP A 51 -13.360 -0.750 3.389 1.00 22.23 H new ATOM 0 HH2 TRP A 51 -15.315 -1.091 4.843 1.00 31.54 H new ATOM 732 N ASP A 52 -12.455 7.630 3.592 1.00 50.44 N ATOM 733 CA ASP A 52 -12.916 8.886 4.174 1.00 20.24 C ATOM 734 C ASP A 52 -12.166 9.195 5.466 1.00 13.22 C ATOM 735 O ASP A 52 -12.560 10.077 6.227 1.00 54.23 O ATOM 736 CB ASP A 52 -14.420 8.825 4.445 1.00 31.33 C ATOM 737 CG ASP A 52 -15.175 9.959 3.779 1.00 32.42 C ATOM 738 OD1 ASP A 52 -15.226 9.986 2.532 1.00 41.24 O ATOM 739 OD2 ASP A 52 -15.716 10.817 4.506 1.00 65.11 O ATOM 0 H ASP A 52 -11.984 7.730 2.693 1.00 50.44 H new ATOM 0 HA ASP A 52 -12.715 9.684 3.459 1.00 20.24 H new ATOM 0 HB2 ASP A 52 -14.812 7.873 4.088 1.00 31.33 H new ATOM 0 HB3 ASP A 52 -14.594 8.859 5.520 1.00 31.33 H new ATOM 744 N ALA A 53 -11.085 8.460 5.705 1.00 52.54 N ATOM 745 CA ALA A 53 -10.279 8.656 6.904 1.00 41.14 C ATOM 746 C ALA A 53 -9.011 7.810 6.859 1.00 50.40 C ATOM 747 O ALA A 53 -9.050 6.602 7.097 1.00 73.22 O ATOM 748 CB ALA A 53 -11.092 8.326 8.147 1.00 4.31 C ATOM 0 H ALA A 53 -10.747 7.724 5.085 1.00 52.54 H new ATOM 0 HA ALA A 53 -9.983 9.704 6.944 1.00 41.14 H new ATOM 0 HB1 ALA A 53 -10.477 8.477 9.034 1.00 4.31 H new ATOM 0 HB2 ALA A 53 -11.964 8.978 8.195 1.00 4.31 H new ATOM 0 HB3 ALA A 53 -11.417 7.287 8.104 1.00 4.31 H new ATOM 754 N THR A 54 -7.888 8.450 6.549 1.00 43.34 N ATOM 755 CA THR A 54 -6.609 7.756 6.470 1.00 31.15 C ATOM 756 C THR A 54 -6.248 7.114 7.805 1.00 52.13 C ATOM 757 O THR A 54 -5.688 7.766 8.687 1.00 61.14 O ATOM 758 CB THR A 54 -5.476 8.710 6.049 1.00 65.41 C ATOM 759 OG1 THR A 54 -5.754 9.261 4.757 1.00 21.32 O ATOM 760 CG2 THR A 54 -4.140 7.984 6.018 1.00 72.51 C ATOM 0 H THR A 54 -7.839 9.449 6.348 1.00 43.34 H new ATOM 0 HA THR A 54 -6.718 6.979 5.714 1.00 31.15 H new ATOM 0 HB THR A 54 -5.418 9.514 6.782 1.00 65.41 H new ATOM 0 HG1 THR A 54 -5.030 9.868 4.497 1.00 21.32 H new ATOM 0 HG21 THR A 54 -3.355 8.679 5.718 1.00 72.51 H new ATOM 0 HG22 THR A 54 -3.917 7.591 7.010 1.00 72.51 H new ATOM 0 HG23 THR A 54 -4.189 7.162 5.304 1.00 72.51 H new ATOM 768 N VAL A 55 -6.572 5.834 7.948 1.00 35.01 N ATOM 769 CA VAL A 55 -6.280 5.103 9.176 1.00 53.25 C ATOM 770 C VAL A 55 -4.909 4.441 9.109 1.00 74.12 C ATOM 771 O VAL A 55 -4.692 3.513 8.330 1.00 15.13 O ATOM 772 CB VAL A 55 -7.345 4.026 9.456 1.00 11.32 C ATOM 773 CG1 VAL A 55 -6.988 3.234 10.704 1.00 42.03 C ATOM 774 CG2 VAL A 55 -8.721 4.660 9.591 1.00 51.34 C ATOM 0 H VAL A 55 -7.037 5.280 7.229 1.00 35.01 H new ATOM 0 HA VAL A 55 -6.289 5.831 9.987 1.00 53.25 H new ATOM 0 HB VAL A 55 -7.370 3.336 8.612 1.00 11.32 H new ATOM 0 HG11 VAL A 55 -7.752 2.478 10.886 1.00 42.03 H new ATOM 0 HG12 VAL A 55 -6.023 2.748 10.563 1.00 42.03 H new ATOM 0 HG13 VAL A 55 -6.933 3.908 11.559 1.00 42.03 H new ATOM 0 HG21 VAL A 55 -9.461 3.885 9.789 1.00 51.34 H new ATOM 0 HG22 VAL A 55 -8.714 5.373 10.415 1.00 51.34 H new ATOM 0 HG23 VAL A 55 -8.976 5.177 8.666 1.00 51.34 H new ATOM 784 N THR A 56 -3.983 4.925 9.932 1.00 12.32 N ATOM 785 CA THR A 56 -2.631 4.381 9.966 1.00 0.32 C ATOM 786 C THR A 56 -2.405 3.549 11.223 1.00 14.32 C ATOM 787 O THR A 56 -3.284 3.444 12.075 1.00 64.40 O ATOM 788 CB THR A 56 -1.573 5.500 9.907 1.00 64.41 C ATOM 789 OG1 THR A 56 -0.277 4.936 9.678 1.00 61.33 O ATOM 790 CG2 THR A 56 -1.563 6.303 11.199 1.00 1.32 C ATOM 0 H THR A 56 -4.145 5.693 10.584 1.00 12.32 H new ATOM 0 HA THR A 56 -2.524 3.744 9.088 1.00 0.32 H new ATOM 0 HB THR A 56 -1.827 6.169 9.085 1.00 64.41 H new ATOM 0 HG1 THR A 56 0.211 4.883 10.526 1.00 61.33 H new ATOM 0 HG21 THR A 56 -0.809 7.087 11.134 1.00 1.32 H new ATOM 0 HG22 THR A 56 -2.543 6.754 11.354 1.00 1.32 H new ATOM 0 HG23 THR A 56 -1.330 5.644 12.035 1.00 1.32 H new ATOM 798 N ASN A 57 -1.218 2.961 11.331 1.00 34.23 N ATOM 799 CA ASN A 57 -0.876 2.137 12.486 1.00 44.03 C ATOM 800 C ASN A 57 0.508 2.497 13.019 1.00 31.14 C ATOM 801 O ASN A 57 1.319 3.096 12.315 1.00 43.13 O ATOM 802 CB ASN A 57 -0.921 0.654 12.112 1.00 64.54 C ATOM 803 CG ASN A 57 0.373 0.176 11.484 1.00 11.31 C ATOM 804 OD1 ASN A 57 0.659 0.471 10.323 1.00 42.33 O ATOM 805 ND2 ASN A 57 1.164 -0.568 12.250 1.00 42.32 N ATOM 0 H ASN A 57 -0.477 3.039 10.634 1.00 34.23 H new ATOM 0 HA ASN A 57 -1.609 2.329 13.269 1.00 44.03 H new ATOM 0 HB2 ASN A 57 -1.128 0.063 13.004 1.00 64.54 H new ATOM 0 HB3 ASN A 57 -1.744 0.482 11.418 1.00 64.54 H new ATOM 0 HD21 ASN A 57 2.048 -0.919 11.881 1.00 42.32 H new ATOM 0 HD22 ASN A 57 0.887 -0.788 13.207 1.00 42.32 H new ATOM 812 N SER A 58 0.769 2.124 14.269 1.00 1.42 N ATOM 813 CA SER A 58 2.053 2.409 14.898 1.00 50.03 C ATOM 814 C SER A 58 2.286 1.495 16.097 1.00 22.12 C ATOM 815 O SER A 58 1.988 1.856 17.234 1.00 51.43 O ATOM 816 CB SER A 58 2.114 3.873 15.338 1.00 74.50 C ATOM 817 OG SER A 58 2.615 4.698 14.301 1.00 74.41 O ATOM 0 H SER A 58 0.109 1.624 14.865 1.00 1.42 H new ATOM 0 HA SER A 58 2.838 2.224 14.165 1.00 50.03 H new ATOM 0 HB2 SER A 58 1.119 4.211 15.626 1.00 74.50 H new ATOM 0 HB3 SER A 58 2.750 3.965 16.219 1.00 74.50 H new ATOM 0 HG SER A 58 2.293 4.368 13.436 1.00 74.41 H new ATOM 823 N GLY A 59 2.820 0.307 15.832 1.00 11.14 N ATOM 824 CA GLY A 59 3.084 -0.643 16.898 1.00 23.20 C ATOM 825 C GLY A 59 1.819 -1.303 17.412 1.00 14.04 C ATOM 826 O GLY A 59 1.376 -2.316 16.870 1.00 3.21 O ATOM 0 H GLY A 59 3.075 -0.015 14.898 1.00 11.14 H new ATOM 0 HA2 GLY A 59 3.769 -1.410 16.536 1.00 23.20 H new ATOM 0 HA3 GLY A 59 3.584 -0.132 17.721 1.00 23.20 H new ATOM 830 N ASP A 60 1.238 -0.730 18.460 1.00 11.32 N ATOM 831 CA ASP A 60 0.018 -1.270 19.048 1.00 13.30 C ATOM 832 C ASP A 60 -1.062 -0.197 19.139 1.00 75.23 C ATOM 833 O ASP A 60 -2.061 -0.365 19.840 1.00 44.32 O ATOM 834 CB ASP A 60 0.305 -1.842 20.437 1.00 13.44 C ATOM 835 CG ASP A 60 1.514 -2.758 20.447 1.00 25.53 C ATOM 836 OD1 ASP A 60 1.366 -3.940 20.071 1.00 11.52 O ATOM 837 OD2 ASP A 60 2.607 -2.293 20.830 1.00 40.42 O ATOM 0 H ASP A 60 1.592 0.109 18.920 1.00 11.32 H new ATOM 0 HA ASP A 60 -0.344 -2.070 18.402 1.00 13.30 H new ATOM 0 HB2 ASP A 60 0.467 -1.023 21.138 1.00 13.44 H new ATOM 0 HB3 ASP A 60 -0.568 -2.393 20.787 1.00 13.44 H new ATOM 842 N HIS A 61 -0.853 0.907 18.429 1.00 3.00 N ATOM 843 CA HIS A 61 -1.809 2.009 18.431 1.00 70.12 C ATOM 844 C HIS A 61 -2.203 2.389 17.007 1.00 25.41 C ATOM 845 O HIS A 61 -1.397 2.292 16.083 1.00 11.34 O ATOM 846 CB HIS A 61 -1.219 3.223 19.150 1.00 64.10 C ATOM 847 CG HIS A 61 -2.131 4.411 19.168 1.00 25.23 C ATOM 848 ND1 HIS A 61 -2.891 4.761 20.264 1.00 24.01 N ATOM 849 CD2 HIS A 61 -2.402 5.333 18.214 1.00 22.34 C ATOM 850 CE1 HIS A 61 -3.591 5.846 19.983 1.00 54.03 C ATOM 851 NE2 HIS A 61 -3.312 6.214 18.746 1.00 34.12 N ATOM 0 H HIS A 61 -0.031 1.062 17.845 1.00 3.00 H new ATOM 0 HA HIS A 61 -2.703 1.681 18.962 1.00 70.12 H new ATOM 0 HB2 HIS A 61 -0.978 2.945 20.176 1.00 64.10 H new ATOM 0 HB3 HIS A 61 -0.283 3.502 18.666 1.00 64.10 H new ATOM 0 HD1 HIS A 61 -2.910 4.261 21.153 1.00 24.01 H new ATOM 0 HD2 HIS A 61 -1.981 5.369 17.220 1.00 22.34 H new ATOM 0 HE1 HIS A 61 -4.275 6.347 20.652 1.00 54.03 H new ATOM 859 N TRP A 62 -3.448 2.821 16.838 1.00 14.10 N ATOM 860 CA TRP A 62 -3.949 3.215 15.526 1.00 71.24 C ATOM 861 C TRP A 62 -4.607 4.589 15.585 1.00 33.14 C ATOM 862 O TRP A 62 -5.063 5.026 16.642 1.00 5.54 O ATOM 863 CB TRP A 62 -4.947 2.179 15.007 1.00 41.11 C ATOM 864 CG TRP A 62 -4.301 0.899 14.568 1.00 61.54 C ATOM 865 CD1 TRP A 62 -3.680 -0.020 15.365 1.00 25.14 C ATOM 866 CD2 TRP A 62 -4.211 0.400 13.230 1.00 1.05 C ATOM 867 NE1 TRP A 62 -3.210 -1.061 14.602 1.00 1.05 N ATOM 868 CE2 TRP A 62 -3.524 -0.828 13.289 1.00 4.32 C ATOM 869 CE3 TRP A 62 -4.646 0.869 11.987 1.00 63.12 C ATOM 870 CZ2 TRP A 62 -3.262 -1.589 12.152 1.00 20.10 C ATOM 871 CZ3 TRP A 62 -4.386 0.113 10.861 1.00 15.52 C ATOM 872 CH2 TRP A 62 -3.699 -1.105 10.949 1.00 34.04 C ATOM 0 H TRP A 62 -4.129 2.907 17.593 1.00 14.10 H new ATOM 0 HA TRP A 62 -3.102 3.268 14.842 1.00 71.24 H new ATOM 0 HB2 TRP A 62 -5.674 1.961 15.790 1.00 41.11 H new ATOM 0 HB3 TRP A 62 -5.499 2.605 14.169 1.00 41.11 H new ATOM 0 HD1 TRP A 62 -3.574 0.060 16.437 1.00 25.14 H new ATOM 0 HE1 TRP A 62 -2.708 -1.876 14.956 1.00 1.05 H new ATOM 0 HE3 TRP A 62 -5.176 1.807 11.909 1.00 63.12 H new ATOM 0 HZ2 TRP A 62 -2.733 -2.528 12.218 1.00 20.10 H new ATOM 0 HZ3 TRP A 62 -4.718 0.467 9.896 1.00 15.52 H new ATOM 0 HH2 TRP A 62 -3.511 -1.673 10.050 1.00 34.04 H new ATOM 883 N THR A 63 -4.654 5.267 14.442 1.00 22.43 N ATOM 884 CA THR A 63 -5.255 6.592 14.364 1.00 25.33 C ATOM 885 C THR A 63 -5.871 6.836 12.991 1.00 45.33 C ATOM 886 O THR A 63 -5.335 6.399 11.974 1.00 13.22 O ATOM 887 CB THR A 63 -4.223 7.696 14.655 1.00 53.31 C ATOM 888 OG1 THR A 63 -4.773 8.979 14.333 1.00 54.25 O ATOM 889 CG2 THR A 63 -2.949 7.470 13.854 1.00 34.12 C ATOM 0 H THR A 63 -4.283 4.920 13.558 1.00 22.43 H new ATOM 0 HA THR A 63 -6.037 6.629 15.122 1.00 25.33 H new ATOM 0 HB THR A 63 -3.978 7.662 15.717 1.00 53.31 H new ATOM 0 HG1 THR A 63 -4.105 9.674 14.508 1.00 54.25 H new ATOM 0 HG21 THR A 63 -2.234 8.263 14.076 1.00 34.12 H new ATOM 0 HG22 THR A 63 -2.517 6.506 14.122 1.00 34.12 H new ATOM 0 HG23 THR A 63 -3.182 7.479 12.789 1.00 34.12 H new ATOM 897 N ALA A 64 -6.999 7.538 12.970 1.00 2.03 N ATOM 898 CA ALA A 64 -7.686 7.843 11.720 1.00 72.11 C ATOM 899 C ALA A 64 -7.806 9.349 11.513 1.00 63.32 C ATOM 900 O ALA A 64 -8.364 10.059 12.350 1.00 42.24 O ATOM 901 CB ALA A 64 -9.062 7.195 11.703 1.00 3.14 C ATOM 0 H ALA A 64 -7.457 7.906 13.804 1.00 2.03 H new ATOM 0 HA ALA A 64 -7.094 7.436 10.900 1.00 72.11 H new ATOM 0 HB1 ALA A 64 -9.564 7.431 10.764 1.00 3.14 H new ATOM 0 HB2 ALA A 64 -8.956 6.114 11.796 1.00 3.14 H new ATOM 0 HB3 ALA A 64 -9.653 7.575 12.536 1.00 3.14 H new ATOM 907 N LYS A 65 -7.279 9.832 10.393 1.00 73.34 N ATOM 908 CA LYS A 65 -7.327 11.254 10.075 1.00 2.33 C ATOM 909 C LYS A 65 -7.604 11.470 8.591 1.00 4.22 C ATOM 910 O LYS A 65 -7.048 10.779 7.739 1.00 2.21 O ATOM 911 CB LYS A 65 -6.009 11.928 10.461 1.00 52.34 C ATOM 912 CG LYS A 65 -4.786 11.279 9.836 1.00 4.12 C ATOM 913 CD LYS A 65 -4.265 10.135 10.689 1.00 51.42 C ATOM 914 CE LYS A 65 -3.034 10.547 11.482 1.00 4.34 C ATOM 915 NZ LYS A 65 -3.328 11.667 12.419 1.00 34.22 N ATOM 0 H LYS A 65 -6.813 9.259 9.690 1.00 73.34 H new ATOM 0 HA LYS A 65 -8.139 11.702 10.648 1.00 2.33 H new ATOM 0 HB2 LYS A 65 -6.046 12.976 10.163 1.00 52.34 H new ATOM 0 HB3 LYS A 65 -5.905 11.909 11.546 1.00 52.34 H new ATOM 0 HG2 LYS A 65 -5.038 10.908 8.842 1.00 4.12 H new ATOM 0 HG3 LYS A 65 -4.002 12.025 9.708 1.00 4.12 H new ATOM 0 HD2 LYS A 65 -5.046 9.805 11.373 1.00 51.42 H new ATOM 0 HD3 LYS A 65 -4.021 9.286 10.051 1.00 51.42 H new ATOM 0 HE2 LYS A 65 -2.661 9.691 12.045 1.00 4.34 H new ATOM 0 HE3 LYS A 65 -2.243 10.846 10.795 1.00 4.34 H new ATOM 0 HZ1 LYS A 65 -2.683 11.616 13.234 1.00 34.22 H new ATOM 0 HZ2 LYS A 65 -3.195 12.574 11.928 1.00 34.22 H new ATOM 0 HZ3 LYS A 65 -4.311 11.593 12.750 1.00 34.22 H new ATOM 929 N ASN A 66 -8.468 12.434 8.290 1.00 22.52 N ATOM 930 CA ASN A 66 -8.819 12.742 6.908 1.00 4.14 C ATOM 931 C ASN A 66 -8.449 14.180 6.559 1.00 71.42 C ATOM 932 O ASN A 66 -8.126 14.489 5.413 1.00 44.41 O ATOM 933 CB ASN A 66 -10.316 12.520 6.678 1.00 35.13 C ATOM 934 CG ASN A 66 -10.606 11.882 5.333 1.00 52.11 C ATOM 935 OD1 ASN A 66 -9.829 11.064 4.841 1.00 20.12 O ATOM 936 ND2 ASN A 66 -11.730 12.256 4.732 1.00 33.53 N ATOM 0 H ASN A 66 -8.938 13.015 8.984 1.00 22.52 H new ATOM 0 HA ASN A 66 -8.254 12.072 6.259 1.00 4.14 H new ATOM 0 HB2 ASN A 66 -10.713 11.886 7.471 1.00 35.13 H new ATOM 0 HB3 ASN A 66 -10.837 13.475 6.744 1.00 35.13 H new ATOM 0 HD21 ASN A 66 -11.979 11.862 3.825 1.00 33.53 H new ATOM 0 HD22 ASN A 66 -12.344 12.938 5.178 1.00 33.53 H new ATOM 943 N VAL A 67 -8.495 15.056 7.559 1.00 4.43 N ATOM 944 CA VAL A 67 -8.162 16.461 7.359 1.00 45.35 C ATOM 945 C VAL A 67 -6.681 16.717 7.614 1.00 31.41 C ATOM 946 O VAL A 67 -6.311 17.705 8.245 1.00 74.03 O ATOM 947 CB VAL A 67 -8.995 17.372 8.281 1.00 23.10 C ATOM 948 CG1 VAL A 67 -10.447 17.406 7.828 1.00 50.41 C ATOM 949 CG2 VAL A 67 -8.890 16.906 9.726 1.00 1.05 C ATOM 0 H VAL A 67 -8.759 14.817 8.515 1.00 4.43 H new ATOM 0 HA VAL A 67 -8.395 16.696 6.320 1.00 45.35 H new ATOM 0 HB VAL A 67 -8.596 18.385 8.219 1.00 23.10 H new ATOM 0 HG11 VAL A 67 -11.020 18.054 8.491 1.00 50.41 H new ATOM 0 HG12 VAL A 67 -10.501 17.790 6.809 1.00 50.41 H new ATOM 0 HG13 VAL A 67 -10.861 16.398 7.859 1.00 50.41 H new ATOM 0 HG21 VAL A 67 -9.484 17.561 10.363 1.00 1.05 H new ATOM 0 HG22 VAL A 67 -9.262 15.885 9.807 1.00 1.05 H new ATOM 0 HG23 VAL A 67 -7.848 16.938 10.044 1.00 1.05 H new ATOM 959 N GLY A 68 -5.837 15.818 7.117 1.00 1.24 N ATOM 960 CA GLY A 68 -4.405 15.964 7.300 1.00 73.30 C ATOM 961 C GLY A 68 -3.796 16.965 6.338 1.00 62.21 C ATOM 962 O GLY A 68 -2.581 17.163 6.324 1.00 20.53 O ATOM 0 H GLY A 68 -6.120 14.991 6.591 1.00 1.24 H new ATOM 0 HA2 GLY A 68 -4.203 16.279 8.324 1.00 73.30 H new ATOM 0 HA3 GLY A 68 -3.924 14.995 7.164 1.00 73.30 H new ATOM 966 N TRP A 69 -4.641 17.595 5.530 1.00 30.11 N ATOM 967 CA TRP A 69 -4.178 18.580 4.558 1.00 23.40 C ATOM 968 C TRP A 69 -4.761 19.956 4.859 1.00 74.22 C ATOM 969 O TRP A 69 -4.110 20.977 4.639 1.00 14.53 O ATOM 970 CB TRP A 69 -4.562 18.148 3.142 1.00 74.30 C ATOM 971 CG TRP A 69 -5.798 17.302 3.093 1.00 31.31 C ATOM 972 CD1 TRP A 69 -5.874 15.950 3.279 1.00 10.51 C ATOM 973 CD2 TRP A 69 -7.134 17.749 2.841 1.00 50.43 C ATOM 974 NE1 TRP A 69 -7.177 15.531 3.157 1.00 41.45 N ATOM 975 CE2 TRP A 69 -7.970 16.616 2.889 1.00 53.45 C ATOM 976 CE3 TRP A 69 -7.706 18.998 2.581 1.00 62.33 C ATOM 977 CZ2 TRP A 69 -9.345 16.697 2.686 1.00 72.15 C ATOM 978 CZ3 TRP A 69 -9.071 19.076 2.379 1.00 71.31 C ATOM 979 CH2 TRP A 69 -9.878 17.932 2.433 1.00 24.21 C ATOM 0 H TRP A 69 -5.649 17.442 5.528 1.00 30.11 H new ATOM 0 HA TRP A 69 -3.092 18.643 4.629 1.00 23.40 H new ATOM 0 HB2 TRP A 69 -4.714 19.036 2.528 1.00 74.30 H new ATOM 0 HB3 TRP A 69 -3.733 17.593 2.702 1.00 74.30 H new ATOM 0 HD1 TRP A 69 -5.033 15.306 3.491 1.00 10.51 H new ATOM 0 HE1 TRP A 69 -7.501 14.568 3.251 1.00 41.45 H new ATOM 0 HE3 TRP A 69 -7.092 19.886 2.539 1.00 62.33 H new ATOM 0 HZ2 TRP A 69 -9.969 15.816 2.727 1.00 72.15 H new ATOM 0 HZ3 TRP A 69 -9.523 20.035 2.176 1.00 71.31 H new ATOM 0 HH2 TRP A 69 -10.942 18.027 2.272 1.00 24.21 H new ATOM 990 N ASN A 70 -5.990 19.977 5.364 1.00 2.54 N ATOM 991 CA ASN A 70 -6.660 21.229 5.693 1.00 51.13 C ATOM 992 C ASN A 70 -6.789 21.396 7.204 1.00 72.34 C ATOM 993 O ASN A 70 -6.127 22.241 7.805 1.00 50.34 O ATOM 994 CB ASN A 70 -8.045 21.278 5.044 1.00 21.12 C ATOM 995 CG ASN A 70 -8.105 22.250 3.881 1.00 10.11 C ATOM 996 OD1 ASN A 70 -8.279 21.849 2.731 1.00 2.03 O ATOM 997 ND2 ASN A 70 -7.959 23.536 4.177 1.00 42.14 N ATOM 0 H ASN A 70 -6.542 19.141 5.554 1.00 2.54 H new ATOM 0 HA ASN A 70 -6.055 22.048 5.304 1.00 51.13 H new ATOM 0 HB2 ASN A 70 -8.315 20.281 4.695 1.00 21.12 H new ATOM 0 HB3 ASN A 70 -8.784 21.565 5.792 1.00 21.12 H new ATOM 0 HD21 ASN A 70 -7.989 24.236 3.436 1.00 42.14 H new ATOM 0 HD22 ASN A 70 -7.817 23.824 5.145 1.00 42.14 H new ATOM 1004 N GLY A 71 -7.646 20.582 7.814 1.00 5.24 N ATOM 1005 CA GLY A 71 -7.846 20.655 9.249 1.00 50.32 C ATOM 1006 C GLY A 71 -8.982 21.583 9.630 1.00 32.41 C ATOM 1007 O GLY A 71 -9.734 21.306 10.565 1.00 41.42 O ATOM 0 H GLY A 71 -8.205 19.873 7.339 1.00 5.24 H new ATOM 0 HA2 GLY A 71 -8.052 19.657 9.635 1.00 50.32 H new ATOM 0 HA3 GLY A 71 -6.927 20.997 9.724 1.00 50.32 H new ATOM 1011 N THR A 72 -9.109 22.691 8.905 1.00 14.25 N ATOM 1012 CA THR A 72 -10.159 23.664 9.174 1.00 71.12 C ATOM 1013 C THR A 72 -11.519 22.987 9.292 1.00 2.11 C ATOM 1014 O THR A 72 -12.009 22.383 8.337 1.00 54.20 O ATOM 1015 CB THR A 72 -10.226 24.736 8.071 1.00 3.52 C ATOM 1016 OG1 THR A 72 -11.453 25.468 8.173 1.00 44.11 O ATOM 1017 CG2 THR A 72 -10.122 24.102 6.692 1.00 4.42 C ATOM 0 H THR A 72 -8.497 22.936 8.127 1.00 14.25 H new ATOM 0 HA THR A 72 -9.911 24.143 10.122 1.00 71.12 H new ATOM 0 HB THR A 72 -9.385 25.416 8.205 1.00 3.52 H new ATOM 0 HG1 THR A 72 -11.487 26.149 7.469 1.00 44.11 H new ATOM 0 HG21 THR A 72 -10.172 24.879 5.929 1.00 4.42 H new ATOM 0 HG22 THR A 72 -9.174 23.570 6.607 1.00 4.42 H new ATOM 0 HG23 THR A 72 -10.945 23.402 6.550 1.00 4.42 H new ATOM 1025 N LEU A 73 -12.125 23.090 10.469 1.00 25.20 N ATOM 1026 CA LEU A 73 -13.431 22.488 10.713 1.00 23.44 C ATOM 1027 C LEU A 73 -14.340 23.447 11.476 1.00 21.41 C ATOM 1028 O LEU A 73 -13.939 24.028 12.484 1.00 14.04 O ATOM 1029 CB LEU A 73 -13.276 21.183 11.496 1.00 72.10 C ATOM 1030 CG LEU A 73 -14.267 20.070 11.151 1.00 54.05 C ATOM 1031 CD1 LEU A 73 -15.696 20.550 11.348 1.00 62.32 C ATOM 1032 CD2 LEU A 73 -14.055 19.591 9.723 1.00 34.25 C ATOM 0 H LEU A 73 -11.733 23.585 11.270 1.00 25.20 H new ATOM 0 HA LEU A 73 -13.889 22.273 9.748 1.00 23.44 H new ATOM 0 HB2 LEU A 73 -12.266 20.805 11.336 1.00 72.10 H new ATOM 0 HB3 LEU A 73 -13.368 21.407 12.559 1.00 72.10 H new ATOM 0 HG LEU A 73 -14.091 19.231 11.824 1.00 54.05 H new ATOM 0 HD11 LEU A 73 -16.388 19.746 11.098 1.00 62.32 H new ATOM 0 HD12 LEU A 73 -15.841 20.843 12.388 1.00 62.32 H new ATOM 0 HD13 LEU A 73 -15.885 21.406 10.700 1.00 62.32 H new ATOM 0 HD21 LEU A 73 -14.769 18.799 9.495 1.00 34.25 H new ATOM 0 HD22 LEU A 73 -14.204 20.423 9.034 1.00 34.25 H new ATOM 0 HD23 LEU A 73 -13.041 19.207 9.615 1.00 34.25 H new ATOM 1044 N ALA A 74 -15.567 23.605 10.990 1.00 10.53 N ATOM 1045 CA ALA A 74 -16.533 24.489 11.628 1.00 62.40 C ATOM 1046 C ALA A 74 -16.755 24.099 13.086 1.00 53.52 C ATOM 1047 O ALA A 74 -16.458 22.982 13.506 1.00 32.51 O ATOM 1048 CB ALA A 74 -17.852 24.467 10.868 1.00 70.15 C ATOM 0 H ALA A 74 -15.915 23.132 10.156 1.00 10.53 H new ATOM 0 HA ALA A 74 -16.130 25.502 11.607 1.00 62.40 H new ATOM 0 HB1 ALA A 74 -18.564 25.132 11.356 1.00 70.15 H new ATOM 0 HB2 ALA A 74 -17.687 24.801 9.843 1.00 70.15 H new ATOM 0 HB3 ALA A 74 -18.250 23.452 10.859 1.00 70.15 H new ATOM 1054 N PRO A 75 -17.289 25.042 13.877 1.00 15.40 N ATOM 1055 CA PRO A 75 -17.560 24.821 15.300 1.00 20.44 C ATOM 1056 C PRO A 75 -18.709 23.843 15.525 1.00 1.02 C ATOM 1057 O PRO A 75 -18.883 23.317 16.623 1.00 41.11 O ATOM 1058 CB PRO A 75 -17.936 26.213 15.811 1.00 40.54 C ATOM 1059 CG PRO A 75 -18.449 26.932 14.611 1.00 4.44 C ATOM 1060 CD PRO A 75 -17.666 26.398 13.443 1.00 24.12 C ATOM 0 HA PRO A 75 -16.706 24.380 15.814 1.00 20.44 H new ATOM 0 HB2 PRO A 75 -18.694 26.156 16.592 1.00 40.54 H new ATOM 0 HB3 PRO A 75 -17.074 26.724 16.240 1.00 40.54 H new ATOM 0 HG2 PRO A 75 -19.517 26.757 14.478 1.00 4.44 H new ATOM 0 HG3 PRO A 75 -18.313 28.009 14.713 1.00 4.44 H new ATOM 0 HD2 PRO A 75 -18.266 26.377 12.533 1.00 24.12 H new ATOM 0 HD3 PRO A 75 -16.790 27.011 13.233 1.00 24.12 H new ATOM 1068 N GLY A 76 -19.492 23.604 14.476 1.00 51.34 N ATOM 1069 CA GLY A 76 -20.613 22.690 14.580 1.00 65.22 C ATOM 1070 C GLY A 76 -20.881 21.950 13.285 1.00 53.25 C ATOM 1071 O GLY A 76 -21.235 22.559 12.276 1.00 64.24 O ATOM 0 H GLY A 76 -19.369 24.028 13.556 1.00 51.34 H new ATOM 0 HA2 GLY A 76 -20.417 21.968 15.373 1.00 65.22 H new ATOM 0 HA3 GLY A 76 -21.505 23.246 14.868 1.00 65.22 H new ATOM 1075 N ALA A 77 -20.708 20.633 13.312 1.00 61.41 N ATOM 1076 CA ALA A 77 -20.933 19.808 12.130 1.00 63.53 C ATOM 1077 C ALA A 77 -20.735 18.330 12.447 1.00 64.32 C ATOM 1078 O ALA A 77 -20.295 17.973 13.540 1.00 60.31 O ATOM 1079 CB ALA A 77 -20.007 20.238 11.003 1.00 44.24 C ATOM 0 H ALA A 77 -20.413 20.114 14.139 1.00 61.41 H new ATOM 0 HA ALA A 77 -21.965 19.948 11.810 1.00 63.53 H new ATOM 0 HB1 ALA A 77 -20.186 19.614 10.127 1.00 44.24 H new ATOM 0 HB2 ALA A 77 -20.200 21.281 10.751 1.00 44.24 H new ATOM 0 HB3 ALA A 77 -18.970 20.128 11.322 1.00 44.24 H new ATOM 1085 N SER A 78 -21.063 17.474 11.485 1.00 43.33 N ATOM 1086 CA SER A 78 -20.925 16.033 11.663 1.00 51.42 C ATOM 1087 C SER A 78 -19.948 15.453 10.645 1.00 33.14 C ATOM 1088 O SER A 78 -20.045 15.724 9.448 1.00 15.00 O ATOM 1089 CB SER A 78 -22.287 15.349 11.528 1.00 33.12 C ATOM 1090 OG SER A 78 -23.127 16.057 10.633 1.00 32.13 O ATOM 0 H SER A 78 -21.426 17.753 10.574 1.00 43.33 H new ATOM 0 HA SER A 78 -20.533 15.850 12.663 1.00 51.42 H new ATOM 0 HB2 SER A 78 -22.151 14.328 11.173 1.00 33.12 H new ATOM 0 HB3 SER A 78 -22.764 15.285 12.506 1.00 33.12 H new ATOM 0 HG SER A 78 -23.990 15.599 10.563 1.00 32.13 H new ATOM 1096 N VAL A 79 -19.006 14.649 11.131 1.00 50.12 N ATOM 1097 CA VAL A 79 -18.012 14.027 10.265 1.00 53.41 C ATOM 1098 C VAL A 79 -17.755 12.581 10.674 1.00 52.42 C ATOM 1099 O VAL A 79 -17.164 12.317 11.722 1.00 23.42 O ATOM 1100 CB VAL A 79 -16.680 14.801 10.294 1.00 51.40 C ATOM 1101 CG1 VAL A 79 -16.795 16.092 9.496 1.00 25.45 C ATOM 1102 CG2 VAL A 79 -16.261 15.087 11.727 1.00 62.34 C ATOM 0 H VAL A 79 -18.911 14.414 12.119 1.00 50.12 H new ATOM 0 HA VAL A 79 -18.415 14.049 9.253 1.00 53.41 H new ATOM 0 HB VAL A 79 -15.911 14.183 9.831 1.00 51.40 H new ATOM 0 HG11 VAL A 79 -15.845 16.625 9.528 1.00 25.45 H new ATOM 0 HG12 VAL A 79 -17.046 15.859 8.461 1.00 25.45 H new ATOM 0 HG13 VAL A 79 -17.577 16.718 9.927 1.00 25.45 H new ATOM 0 HG21 VAL A 79 -15.318 15.634 11.728 1.00 62.34 H new ATOM 0 HG22 VAL A 79 -17.028 15.685 12.218 1.00 62.34 H new ATOM 0 HG23 VAL A 79 -16.135 14.147 12.264 1.00 62.34 H new ATOM 1112 N SER A 80 -18.200 11.647 9.840 1.00 43.14 N ATOM 1113 CA SER A 80 -18.022 10.227 10.116 1.00 72.43 C ATOM 1114 C SER A 80 -17.079 9.590 9.100 1.00 1.52 C ATOM 1115 O SER A 80 -16.803 10.165 8.046 1.00 74.21 O ATOM 1116 CB SER A 80 -19.372 9.508 10.096 1.00 1.44 C ATOM 1117 OG SER A 80 -20.403 10.343 10.593 1.00 40.04 O ATOM 0 H SER A 80 -18.687 11.849 8.967 1.00 43.14 H new ATOM 0 HA SER A 80 -17.581 10.128 11.108 1.00 72.43 H new ATOM 0 HB2 SER A 80 -19.608 9.200 9.077 1.00 1.44 H new ATOM 0 HB3 SER A 80 -19.313 8.601 10.697 1.00 1.44 H new ATOM 0 HG SER A 80 -21.256 9.860 10.568 1.00 40.04 H new ATOM 1123 N PHE A 81 -16.587 8.399 9.423 1.00 73.44 N ATOM 1124 CA PHE A 81 -15.673 7.683 8.541 1.00 62.14 C ATOM 1125 C PHE A 81 -15.722 6.182 8.809 1.00 41.13 C ATOM 1126 O PHE A 81 -15.694 5.745 9.958 1.00 73.44 O ATOM 1127 CB PHE A 81 -14.244 8.200 8.723 1.00 33.51 C ATOM 1128 CG PHE A 81 -13.604 7.750 10.005 1.00 73.42 C ATOM 1129 CD1 PHE A 81 -12.916 6.548 10.068 1.00 12.01 C ATOM 1130 CD2 PHE A 81 -13.690 8.528 11.148 1.00 73.43 C ATOM 1131 CE1 PHE A 81 -12.325 6.131 11.246 1.00 1.53 C ATOM 1132 CE2 PHE A 81 -13.101 8.116 12.330 1.00 11.44 C ATOM 1133 CZ PHE A 81 -12.419 6.916 12.379 1.00 41.30 C ATOM 0 H PHE A 81 -16.806 7.909 10.290 1.00 73.44 H new ATOM 0 HA PHE A 81 -15.987 7.860 7.512 1.00 62.14 H new ATOM 0 HB2 PHE A 81 -13.635 7.864 7.884 1.00 33.51 H new ATOM 0 HB3 PHE A 81 -14.254 9.290 8.694 1.00 33.51 H new ATOM 0 HD1 PHE A 81 -12.841 5.930 9.186 1.00 12.01 H new ATOM 0 HD2 PHE A 81 -14.223 9.467 11.116 1.00 73.43 H new ATOM 0 HE1 PHE A 81 -11.791 5.193 11.281 1.00 1.53 H new ATOM 0 HE2 PHE A 81 -13.174 8.732 13.214 1.00 11.44 H new ATOM 0 HZ PHE A 81 -11.960 6.592 13.301 1.00 41.30 H new ATOM 1143 N GLY A 82 -15.795 5.398 7.738 1.00 44.01 N ATOM 1144 CA GLY A 82 -15.848 3.954 7.878 1.00 11.21 C ATOM 1145 C GLY A 82 -14.580 3.279 7.394 1.00 2.05 C ATOM 1146 O GLY A 82 -13.668 3.938 6.896 1.00 55.42 O ATOM 0 H GLY A 82 -15.818 5.737 6.776 1.00 44.01 H new ATOM 0 HA2 GLY A 82 -16.015 3.699 8.925 1.00 11.21 H new ATOM 0 HA3 GLY A 82 -16.699 3.568 7.316 1.00 11.21 H new ATOM 1150 N PHE A 83 -14.522 1.959 7.539 1.00 61.33 N ATOM 1151 CA PHE A 83 -13.356 1.193 7.116 1.00 43.34 C ATOM 1152 C PHE A 83 -13.603 -0.304 7.268 1.00 4.23 C ATOM 1153 O PHE A 83 -14.665 -0.725 7.726 1.00 13.14 O ATOM 1154 CB PHE A 83 -12.127 1.603 7.931 1.00 54.20 C ATOM 1155 CG PHE A 83 -12.119 1.045 9.325 1.00 61.24 C ATOM 1156 CD1 PHE A 83 -11.554 -0.193 9.586 1.00 71.22 C ATOM 1157 CD2 PHE A 83 -12.675 1.759 10.375 1.00 13.13 C ATOM 1158 CE1 PHE A 83 -11.546 -0.709 10.869 1.00 2.23 C ATOM 1159 CE2 PHE A 83 -12.670 1.248 11.658 1.00 72.42 C ATOM 1160 CZ PHE A 83 -12.104 0.013 11.907 1.00 11.42 C ATOM 0 H PHE A 83 -15.270 1.398 7.947 1.00 61.33 H new ATOM 0 HA PHE A 83 -13.175 1.408 6.063 1.00 43.34 H new ATOM 0 HB2 PHE A 83 -11.229 1.272 7.410 1.00 54.20 H new ATOM 0 HB3 PHE A 83 -12.082 2.691 7.983 1.00 54.20 H new ATOM 0 HD1 PHE A 83 -11.115 -0.761 8.779 1.00 71.22 H new ATOM 0 HD2 PHE A 83 -13.117 2.726 10.188 1.00 13.13 H new ATOM 0 HE1 PHE A 83 -11.104 -1.676 11.060 1.00 2.23 H new ATOM 0 HE2 PHE A 83 -13.109 1.814 12.466 1.00 72.42 H new ATOM 0 HZ PHE A 83 -12.097 -0.387 12.910 1.00 11.42 H new ATOM 1170 N ASN A 84 -12.616 -1.104 6.878 1.00 32.44 N ATOM 1171 CA ASN A 84 -12.727 -2.556 6.969 1.00 44.14 C ATOM 1172 C ASN A 84 -11.493 -3.154 7.637 1.00 12.42 C ATOM 1173 O ASN A 84 -10.364 -2.913 7.211 1.00 3.55 O ATOM 1174 CB ASN A 84 -12.911 -3.162 5.577 1.00 44.42 C ATOM 1175 CG ASN A 84 -11.728 -2.894 4.668 1.00 3.11 C ATOM 1176 OD1 ASN A 84 -11.490 -1.758 4.258 1.00 12.42 O ATOM 1177 ND2 ASN A 84 -10.978 -3.943 4.347 1.00 45.02 N ATOM 0 H ASN A 84 -11.730 -0.772 6.496 1.00 32.44 H new ATOM 0 HA ASN A 84 -13.599 -2.792 7.579 1.00 44.14 H new ATOM 0 HB2 ASN A 84 -13.058 -4.238 5.669 1.00 44.42 H new ATOM 0 HB3 ASN A 84 -13.814 -2.754 5.123 1.00 44.42 H new ATOM 0 HD21 ASN A 84 -10.168 -3.824 3.738 1.00 45.02 H new ATOM 0 HD22 ASN A 84 -11.212 -4.867 4.710 1.00 45.02 H new ATOM 1184 N GLY A 85 -11.717 -3.937 8.688 1.00 33.21 N ATOM 1185 CA GLY A 85 -10.615 -4.560 9.398 1.00 43.44 C ATOM 1186 C GLY A 85 -10.799 -6.056 9.558 1.00 53.15 C ATOM 1187 O GLY A 85 -11.923 -6.555 9.540 1.00 21.32 O ATOM 0 H GLY A 85 -12.642 -4.151 9.060 1.00 33.21 H new ATOM 0 HA2 GLY A 85 -9.686 -4.367 8.862 1.00 43.44 H new ATOM 0 HA3 GLY A 85 -10.516 -4.102 10.382 1.00 43.44 H new ATOM 1191 N SER A 86 -9.691 -6.773 9.715 1.00 32.10 N ATOM 1192 CA SER A 86 -9.735 -8.222 9.874 1.00 32.11 C ATOM 1193 C SER A 86 -9.644 -8.610 11.347 1.00 25.14 C ATOM 1194 O SER A 86 -8.597 -8.465 11.976 1.00 11.01 O ATOM 1195 CB SER A 86 -8.594 -8.876 9.092 1.00 13.15 C ATOM 1196 OG SER A 86 -9.026 -10.072 8.466 1.00 53.50 O ATOM 0 H SER A 86 -8.752 -6.375 9.736 1.00 32.10 H new ATOM 0 HA SER A 86 -10.687 -8.577 9.481 1.00 32.11 H new ATOM 0 HB2 SER A 86 -8.220 -8.182 8.339 1.00 13.15 H new ATOM 0 HB3 SER A 86 -7.765 -9.093 9.765 1.00 13.15 H new ATOM 0 HG SER A 86 -8.280 -10.470 7.971 1.00 53.50 H new ATOM 1202 N GLY A 87 -10.753 -9.104 11.891 1.00 42.13 N ATOM 1203 CA GLY A 87 -10.780 -9.505 13.286 1.00 12.41 C ATOM 1204 C GLY A 87 -12.171 -9.439 13.881 1.00 62.44 C ATOM 1205 O GLY A 87 -13.176 -9.486 13.172 1.00 44.40 O ATOM 0 H GLY A 87 -11.632 -9.233 11.391 1.00 42.13 H new ATOM 0 HA2 GLY A 87 -10.398 -10.522 13.376 1.00 12.41 H new ATOM 0 HA3 GLY A 87 -10.112 -8.861 13.859 1.00 12.41 H new ATOM 1209 N PRO A 88 -12.243 -9.331 15.217 1.00 2.34 N ATOM 1210 CA PRO A 88 -13.518 -9.258 15.937 1.00 2.33 C ATOM 1211 C PRO A 88 -14.248 -7.941 15.693 1.00 33.32 C ATOM 1212 O PRO A 88 -15.470 -7.913 15.559 1.00 23.44 O ATOM 1213 CB PRO A 88 -13.102 -9.374 17.405 1.00 24.32 C ATOM 1214 CG PRO A 88 -11.698 -8.880 17.442 1.00 40.20 C ATOM 1215 CD PRO A 88 -11.086 -9.271 16.126 1.00 1.53 C ATOM 0 HA PRO A 88 -14.214 -10.032 15.613 1.00 2.33 H new ATOM 0 HB2 PRO A 88 -13.749 -8.777 18.048 1.00 24.32 H new ATOM 0 HB3 PRO A 88 -13.168 -10.404 17.755 1.00 24.32 H new ATOM 0 HG2 PRO A 88 -11.668 -7.799 17.580 1.00 40.20 H new ATOM 0 HG3 PRO A 88 -11.150 -9.323 18.274 1.00 40.20 H new ATOM 0 HD2 PRO A 88 -10.350 -8.540 15.792 1.00 1.53 H new ATOM 0 HD3 PRO A 88 -10.575 -10.232 16.190 1.00 1.53 H new ATOM 1223 N GLY A 89 -13.489 -6.851 15.636 1.00 12.32 N ATOM 1224 CA GLY A 89 -14.082 -5.546 15.407 1.00 55.23 C ATOM 1225 C GLY A 89 -14.544 -4.886 16.691 1.00 20.14 C ATOM 1226 O GLY A 89 -15.462 -4.067 16.679 1.00 64.44 O ATOM 0 H GLY A 89 -12.475 -6.848 15.744 1.00 12.32 H new ATOM 0 HA2 GLY A 89 -13.355 -4.902 14.912 1.00 55.23 H new ATOM 0 HA3 GLY A 89 -14.930 -5.649 14.730 1.00 55.23 H new ATOM 1230 N SER A 90 -13.908 -5.246 17.802 1.00 45.44 N ATOM 1231 CA SER A 90 -14.263 -4.686 19.101 1.00 22.05 C ATOM 1232 C SER A 90 -13.137 -3.813 19.643 1.00 54.13 C ATOM 1233 O SER A 90 -12.393 -4.203 20.543 1.00 1.42 O ATOM 1234 CB SER A 90 -14.578 -5.808 20.093 1.00 34.32 C ATOM 1235 OG SER A 90 -13.897 -7.001 19.746 1.00 23.33 O ATOM 0 H SER A 90 -13.145 -5.922 17.828 1.00 45.44 H new ATOM 0 HA SER A 90 -15.149 -4.065 18.972 1.00 22.05 H new ATOM 0 HB2 SER A 90 -14.290 -5.500 21.098 1.00 34.32 H new ATOM 0 HB3 SER A 90 -15.652 -5.991 20.111 1.00 34.32 H new ATOM 0 HG SER A 90 -14.113 -7.702 20.396 1.00 23.33 H new ATOM 1241 N PRO A 91 -13.007 -2.602 19.083 1.00 51.53 N ATOM 1242 CA PRO A 91 -11.974 -1.646 19.493 1.00 72.55 C ATOM 1243 C PRO A 91 -12.228 -1.082 20.888 1.00 43.31 C ATOM 1244 O PRO A 91 -13.348 -1.139 21.397 1.00 53.21 O ATOM 1245 CB PRO A 91 -12.077 -0.537 18.442 1.00 33.51 C ATOM 1246 CG PRO A 91 -13.479 -0.617 17.946 1.00 4.22 C ATOM 1247 CD PRO A 91 -13.858 -2.071 18.005 1.00 63.25 C ATOM 0 HA PRO A 91 -10.989 -2.110 19.547 1.00 72.55 H new ATOM 0 HB2 PRO A 91 -11.865 0.440 18.875 1.00 33.51 H new ATOM 0 HB3 PRO A 91 -11.362 -0.689 17.634 1.00 33.51 H new ATOM 0 HG2 PRO A 91 -14.146 -0.015 18.563 1.00 4.22 H new ATOM 0 HG3 PRO A 91 -13.555 -0.235 16.928 1.00 4.22 H new ATOM 0 HD2 PRO A 91 -14.917 -2.201 18.228 1.00 63.25 H new ATOM 0 HD3 PRO A 91 -13.667 -2.575 17.057 1.00 63.25 H new ATOM 1255 N SER A 92 -11.181 -0.538 21.501 1.00 41.42 N ATOM 1256 CA SER A 92 -11.290 0.034 22.838 1.00 22.30 C ATOM 1257 C SER A 92 -10.324 1.202 23.010 1.00 60.23 C ATOM 1258 O SER A 92 -9.478 1.452 22.154 1.00 40.14 O ATOM 1259 CB SER A 92 -11.010 -1.035 23.897 1.00 63.01 C ATOM 1260 OG SER A 92 -12.034 -2.014 23.917 1.00 3.43 O ATOM 0 H SER A 92 -10.248 -0.481 21.093 1.00 41.42 H new ATOM 0 HA SER A 92 -12.307 0.405 22.966 1.00 22.30 H new ATOM 0 HB2 SER A 92 -10.051 -1.511 23.693 1.00 63.01 H new ATOM 0 HB3 SER A 92 -10.931 -0.567 24.878 1.00 63.01 H new ATOM 0 HG SER A 92 -11.831 -2.686 24.601 1.00 3.43 H new ATOM 1266 N ASN A 93 -10.459 1.914 24.125 1.00 5.14 N ATOM 1267 CA ASN A 93 -9.599 3.056 24.411 1.00 3.33 C ATOM 1268 C ASN A 93 -9.796 4.158 23.373 1.00 21.43 C ATOM 1269 O ASN A 93 -8.836 4.627 22.761 1.00 31.03 O ATOM 1270 CB ASN A 93 -8.132 2.623 24.438 1.00 62.24 C ATOM 1271 CG ASN A 93 -7.907 1.401 25.308 1.00 2.45 C ATOM 1272 OD1 ASN A 93 -8.023 1.467 26.532 1.00 13.05 O ATOM 1273 ND2 ASN A 93 -7.583 0.279 24.678 1.00 31.23 N ATOM 0 H ASN A 93 -11.156 1.720 24.844 1.00 5.14 H new ATOM 0 HA ASN A 93 -9.873 3.449 25.390 1.00 3.33 H new ATOM 0 HB2 ASN A 93 -7.800 2.409 23.422 1.00 62.24 H new ATOM 0 HB3 ASN A 93 -7.520 3.446 24.806 1.00 62.24 H new ATOM 0 HD21 ASN A 93 -7.419 -0.576 25.210 1.00 31.23 H new ATOM 0 HD22 ASN A 93 -7.498 0.271 23.662 1.00 31.23 H new ATOM 1280 N CYS A 94 -11.046 4.566 23.181 1.00 71.34 N ATOM 1281 CA CYS A 94 -11.369 5.613 22.218 1.00 33.34 C ATOM 1282 C CYS A 94 -10.801 6.956 22.664 1.00 43.11 C ATOM 1283 O CYS A 94 -11.042 7.403 23.785 1.00 62.32 O ATOM 1284 CB CYS A 94 -12.884 5.720 22.040 1.00 13.13 C ATOM 1285 SG CYS A 94 -13.791 6.003 23.578 1.00 54.25 S ATOM 0 H CYS A 94 -11.852 4.188 23.679 1.00 71.34 H new ATOM 0 HA CYS A 94 -10.916 5.347 21.263 1.00 33.34 H new ATOM 0 HB2 CYS A 94 -13.101 6.534 21.348 1.00 13.13 H new ATOM 0 HB3 CYS A 94 -13.250 4.803 21.578 1.00 13.13 H new ATOM 0 HG CYS A 94 -13.065 6.719 24.385 1.00 54.25 H new ATOM 1291 N LYS A 95 -10.043 7.595 21.778 1.00 2.12 N ATOM 1292 CA LYS A 95 -9.440 8.887 22.079 1.00 43.20 C ATOM 1293 C LYS A 95 -9.269 9.717 20.810 1.00 23.14 C ATOM 1294 O LYS A 95 -8.559 9.319 19.886 1.00 34.14 O ATOM 1295 CB LYS A 95 -8.083 8.694 22.760 1.00 0.15 C ATOM 1296 CG LYS A 95 -8.185 8.404 24.247 1.00 71.10 C ATOM 1297 CD LYS A 95 -8.122 6.912 24.530 1.00 4.11 C ATOM 1298 CE LYS A 95 -7.260 6.612 25.747 1.00 63.42 C ATOM 1299 NZ LYS A 95 -5.813 6.552 25.401 1.00 64.22 N ATOM 0 H LYS A 95 -9.832 7.238 20.846 1.00 2.12 H new ATOM 0 HA LYS A 95 -10.107 9.422 22.755 1.00 43.20 H new ATOM 0 HB2 LYS A 95 -7.555 7.874 22.274 1.00 0.15 H new ATOM 0 HB3 LYS A 95 -7.482 9.591 22.614 1.00 0.15 H new ATOM 0 HG2 LYS A 95 -7.376 8.910 24.774 1.00 71.10 H new ATOM 0 HG3 LYS A 95 -9.120 8.810 24.634 1.00 71.10 H new ATOM 0 HD2 LYS A 95 -9.129 6.528 24.693 1.00 4.11 H new ATOM 0 HD3 LYS A 95 -7.720 6.392 23.661 1.00 4.11 H new ATOM 0 HE2 LYS A 95 -7.421 7.380 26.504 1.00 63.42 H new ATOM 0 HE3 LYS A 95 -7.568 5.663 26.185 1.00 63.42 H new ATOM 0 HZ1 LYS A 95 -5.260 6.346 26.257 1.00 64.22 H new ATOM 0 HZ2 LYS A 95 -5.655 5.803 24.697 1.00 64.22 H new ATOM 0 HZ3 LYS A 95 -5.512 7.466 25.006 1.00 64.22 H new ATOM 1313 N LEU A 96 -9.924 10.872 20.772 1.00 23.12 N ATOM 1314 CA LEU A 96 -9.845 11.758 19.616 1.00 50.53 C ATOM 1315 C LEU A 96 -9.521 13.186 20.046 1.00 54.23 C ATOM 1316 O LEU A 96 -9.792 13.580 21.180 1.00 20.43 O ATOM 1317 CB LEU A 96 -11.162 11.735 18.838 1.00 55.13 C ATOM 1318 CG LEU A 96 -12.332 12.486 19.475 1.00 14.11 C ATOM 1319 CD1 LEU A 96 -12.692 13.712 18.651 1.00 71.32 C ATOM 1320 CD2 LEU A 96 -13.536 11.568 19.624 1.00 75.51 C ATOM 0 H LEU A 96 -10.516 11.217 21.528 1.00 23.12 H new ATOM 0 HA LEU A 96 -9.043 11.400 18.970 1.00 50.53 H new ATOM 0 HB2 LEU A 96 -10.983 12.154 17.848 1.00 55.13 H new ATOM 0 HB3 LEU A 96 -11.458 10.696 18.695 1.00 55.13 H new ATOM 0 HG LEU A 96 -12.028 12.818 20.468 1.00 14.11 H new ATOM 0 HD11 LEU A 96 -13.526 14.233 19.120 1.00 71.32 H new ATOM 0 HD12 LEU A 96 -11.832 14.379 18.597 1.00 71.32 H new ATOM 0 HD13 LEU A 96 -12.976 13.404 17.645 1.00 71.32 H new ATOM 0 HD21 LEU A 96 -14.359 12.119 20.079 1.00 75.51 H new ATOM 0 HD22 LEU A 96 -13.841 11.205 18.642 1.00 75.51 H new ATOM 0 HD23 LEU A 96 -13.272 10.721 20.258 1.00 75.51 H new ATOM 1332 N ASN A 97 -8.941 13.957 19.132 1.00 73.22 N ATOM 1333 CA ASN A 97 -8.581 15.342 19.417 1.00 3.33 C ATOM 1334 C ASN A 97 -7.583 15.420 20.568 1.00 34.52 C ATOM 1335 O ASN A 97 -7.634 16.336 21.387 1.00 11.31 O ATOM 1336 CB ASN A 97 -9.832 16.155 19.756 1.00 64.20 C ATOM 1337 CG ASN A 97 -9.765 17.571 19.215 1.00 32.11 C ATOM 1338 OD1 ASN A 97 -10.556 17.956 18.353 1.00 34.43 O ATOM 1339 ND2 ASN A 97 -8.819 18.353 19.720 1.00 13.34 N ATOM 0 H ASN A 97 -8.710 13.647 18.188 1.00 73.22 H new ATOM 0 HA ASN A 97 -8.113 15.760 18.526 1.00 3.33 H new ATOM 0 HB2 ASN A 97 -10.710 15.654 19.347 1.00 64.20 H new ATOM 0 HB3 ASN A 97 -9.959 16.188 20.838 1.00 64.20 H new ATOM 0 HD21 ASN A 97 -8.726 19.315 19.395 1.00 13.34 H new ATOM 0 HD22 ASN A 97 -8.185 17.992 20.433 1.00 13.34 H new ATOM 1346 N GLY A 98 -6.675 14.450 20.623 1.00 1.15 N ATOM 1347 CA GLY A 98 -5.677 14.426 21.677 1.00 24.10 C ATOM 1348 C GLY A 98 -6.172 13.731 22.929 1.00 65.43 C ATOM 1349 O GLY A 98 -5.632 13.935 24.015 1.00 23.41 O ATOM 0 H GLY A 98 -6.613 13.680 19.956 1.00 1.15 H new ATOM 0 HA2 GLY A 98 -4.782 13.920 21.314 1.00 24.10 H new ATOM 0 HA3 GLY A 98 -5.388 15.448 21.923 1.00 24.10 H new ATOM 1353 N GLY A 99 -7.206 12.907 22.778 1.00 41.51 N ATOM 1354 CA GLY A 99 -7.757 12.193 23.915 1.00 43.30 C ATOM 1355 C GLY A 99 -8.915 12.932 24.557 1.00 54.22 C ATOM 1356 O GLY A 99 -8.795 13.438 25.673 1.00 55.22 O ATOM 0 H GLY A 99 -7.671 12.722 21.889 1.00 41.51 H new ATOM 0 HA2 GLY A 99 -8.093 11.207 23.593 1.00 43.30 H new ATOM 0 HA3 GLY A 99 -6.974 12.037 24.657 1.00 43.30 H new ATOM 1360 N SER A 100 -10.038 12.998 23.850 1.00 63.52 N ATOM 1361 CA SER A 100 -11.221 13.685 24.356 1.00 11.00 C ATOM 1362 C SER A 100 -12.486 13.149 23.693 1.00 51.12 C ATOM 1363 O SER A 100 -12.776 13.463 22.538 1.00 24.22 O ATOM 1364 CB SER A 100 -11.104 15.191 24.114 1.00 2.13 C ATOM 1365 OG SER A 100 -11.956 15.916 24.984 1.00 34.21 O ATOM 0 H SER A 100 -10.154 12.584 22.925 1.00 63.52 H new ATOM 0 HA SER A 100 -11.288 13.500 25.428 1.00 11.00 H new ATOM 0 HB2 SER A 100 -10.072 15.507 24.264 1.00 2.13 H new ATOM 0 HB3 SER A 100 -11.359 15.417 23.079 1.00 2.13 H new ATOM 0 HG SER A 100 -11.861 16.876 24.810 1.00 34.21 H new ATOM 1371 N CYS A 101 -13.235 12.339 24.433 1.00 64.40 N ATOM 1372 CA CYS A 101 -14.470 11.757 23.918 1.00 64.44 C ATOM 1373 C CYS A 101 -15.406 11.371 25.059 1.00 51.21 C ATOM 1374 O CYS A 101 -15.116 10.457 25.831 1.00 44.10 O ATOM 1375 CB CYS A 101 -14.161 10.530 23.059 1.00 54.32 C ATOM 1376 SG CYS A 101 -15.627 9.641 22.488 1.00 31.43 S ATOM 0 H CYS A 101 -13.009 12.070 25.391 1.00 64.40 H new ATOM 0 HA CYS A 101 -14.967 12.507 23.302 1.00 64.44 H new ATOM 0 HB2 CYS A 101 -13.579 10.844 22.192 1.00 54.32 H new ATOM 0 HB3 CYS A 101 -13.535 9.846 23.633 1.00 54.32 H new ATOM 0 HG CYS A 101 -15.263 8.621 21.768 1.00 31.43 H new ATOM 1382 N ASP A 102 -16.529 12.074 25.159 1.00 42.22 N ATOM 1383 CA ASP A 102 -17.508 11.805 26.206 1.00 52.15 C ATOM 1384 C ASP A 102 -18.183 10.456 25.986 1.00 35.23 C ATOM 1385 O ASP A 102 -18.933 10.273 25.029 1.00 11.54 O ATOM 1386 CB ASP A 102 -18.560 12.914 26.247 1.00 40.34 C ATOM 1387 CG ASP A 102 -18.891 13.347 27.662 1.00 43.52 C ATOM 1388 OD1 ASP A 102 -18.054 14.036 28.282 1.00 63.31 O ATOM 1389 OD2 ASP A 102 -19.986 12.997 28.148 1.00 64.01 O ATOM 0 H ASP A 102 -16.784 12.834 24.528 1.00 42.22 H new ATOM 0 HA ASP A 102 -16.983 11.777 27.161 1.00 52.15 H new ATOM 0 HB2 ASP A 102 -18.199 13.774 25.682 1.00 40.34 H new ATOM 0 HB3 ASP A 102 -19.468 12.567 25.754 1.00 40.34 H new ATOM 1394 N GLY A 103 -17.908 9.510 26.880 1.00 61.54 N ATOM 1395 CA GLY A 103 -18.495 8.187 26.765 1.00 4.11 C ATOM 1396 C GLY A 103 -17.462 7.117 26.473 1.00 45.30 C ATOM 1397 O GLY A 103 -17.623 6.326 25.543 1.00 74.21 O ATOM 0 H GLY A 103 -17.290 9.636 27.681 1.00 61.54 H new ATOM 0 HA2 GLY A 103 -19.015 7.942 27.691 1.00 4.11 H new ATOM 0 HA3 GLY A 103 -19.242 8.192 25.971 1.00 4.11 H new ATOM 1401 N THR A 104 -16.396 7.093 27.267 1.00 44.13 N ATOM 1402 CA THR A 104 -15.331 6.115 27.087 1.00 32.22 C ATOM 1403 C THR A 104 -15.891 4.698 27.030 1.00 54.12 C ATOM 1404 O THR A 104 -17.031 4.454 27.423 1.00 11.43 O ATOM 1405 CB THR A 104 -14.293 6.200 28.222 1.00 25.41 C ATOM 1406 OG1 THR A 104 -13.213 5.296 27.966 1.00 72.33 O ATOM 1407 CG2 THR A 104 -14.930 5.869 29.564 1.00 43.34 C ATOM 0 H THR A 104 -16.248 7.740 28.041 1.00 44.13 H new ATOM 0 HA THR A 104 -14.843 6.348 26.141 1.00 32.22 H new ATOM 0 HB THR A 104 -13.912 7.220 28.260 1.00 25.41 H new ATOM 0 HG1 THR A 104 -12.556 5.357 28.691 1.00 72.33 H new ATOM 0 HG21 THR A 104 -14.178 5.936 30.350 1.00 43.34 H new ATOM 0 HG22 THR A 104 -15.733 6.576 29.770 1.00 43.34 H new ATOM 0 HG23 THR A 104 -15.336 4.858 29.535 1.00 43.34 H new ATOM 1415 N SER A 105 -15.080 3.767 26.538 1.00 31.52 N ATOM 1416 CA SER A 105 -15.495 2.373 26.427 1.00 41.51 C ATOM 1417 C SER A 105 -14.354 1.506 25.904 1.00 14.01 C ATOM 1418 O SER A 105 -13.278 2.007 25.582 1.00 53.41 O ATOM 1419 CB SER A 105 -16.707 2.253 25.501 1.00 64.14 C ATOM 1420 OG SER A 105 -17.890 2.000 26.239 1.00 71.01 O ATOM 0 H SER A 105 -14.132 3.952 26.210 1.00 31.52 H new ATOM 0 HA SER A 105 -15.769 2.021 27.421 1.00 41.51 H new ATOM 0 HB2 SER A 105 -16.822 3.172 24.927 1.00 64.14 H new ATOM 0 HB3 SER A 105 -16.543 1.448 24.784 1.00 64.14 H new ATOM 0 HG SER A 105 -18.036 2.725 26.882 1.00 71.01 H new TER 1426 SER A 105