USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 684 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 55 GLN : amide:sc= -0.746 K(o=-1.3,f=-5.2!) USER MOD Set 1.2: A 56 HIS : no HD1:sc= -0.6 X(o=-1.3,f=-1.1) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0725 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00718) USER MOD Single : A 8 TYR OH : rot -50:sc= -1.45 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot -11:sc= 0.895 USER MOD Single : A 26 ASN : amide:sc= -0.0384 X(o=-0.038,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.156 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -3.65 K(o=-3.7,f=-3) USER MOD Single : A 41 SER OG : rot 89:sc= 0.605 USER MOD Single : A 42 SER OG : rot -126:sc= 0.656 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0993 K(o=-0.099,f=-1.3) USER MOD Single : A 58 ASN : amide:sc= 0.496 X(o=0.5,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 54:sc= 0.973 USER MOD Single : A 68 SER OG : rot 57:sc= 0.00155 USER MOD Single : A 74 SER OG : rot -50:sc= -0.902 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 80 SER OG : rot 90:sc= 0.739 USER MOD Single : A 81 SER OG : rot 50:sc= 0.589 USER MOD Single : A 85 SER OG : rot -19:sc= 0.743 USER MOD Single : A 86 LYS NZ :NH3+ -125:sc= 0.183 (180deg=-0.701) USER MOD Single : A 87 MET CE :methyl 171:sc=-0.00258 (180deg=-0.166) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0286 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.578 K(o=-0.58,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.678 -2.808 4.085 1.00 43.14 N ATOM 2 CA GLY A 1 7.285 -1.413 4.010 1.00 12.03 C ATOM 3 C GLY A 1 6.806 -1.018 2.627 1.00 22.52 C ATOM 4 O GLY A 1 6.805 -1.836 1.708 1.00 63.13 O ATOM 0 H1 GLY A 1 7.126 -3.285 4.826 1.00 43.14 H new ATOM 0 H2 GLY A 1 7.499 -3.269 3.170 1.00 43.14 H new ATOM 0 H3 GLY A 1 8.691 -2.872 4.313 1.00 43.14 H new ATOM 0 HA2 GLY A 1 6.492 -1.223 4.734 1.00 12.03 H new ATOM 0 HA3 GLY A 1 8.130 -0.785 4.291 1.00 12.03 H new ATOM 8 N GLU A 2 6.397 0.238 2.480 1.00 33.32 N ATOM 9 CA GLU A 2 5.911 0.737 1.199 1.00 0.22 C ATOM 10 C GLU A 2 5.762 2.256 1.229 1.00 73.45 C ATOM 11 O GLU A 2 5.799 2.874 2.292 1.00 4.52 O ATOM 12 CB GLU A 2 4.570 0.089 0.849 1.00 62.51 C ATOM 13 CG GLU A 2 3.591 0.051 2.010 1.00 74.22 C ATOM 14 CD GLU A 2 2.182 -0.301 1.573 1.00 32.41 C ATOM 15 OE1 GLU A 2 2.031 -1.227 0.748 1.00 21.13 O ATOM 16 OE2 GLU A 2 1.231 0.348 2.055 1.00 13.13 O ATOM 0 H GLU A 2 6.392 0.928 3.231 1.00 33.32 H new ATOM 0 HA GLU A 2 6.643 0.475 0.435 1.00 0.22 H new ATOM 0 HB2 GLU A 2 4.118 0.635 0.021 1.00 62.51 H new ATOM 0 HB3 GLU A 2 4.748 -0.929 0.501 1.00 62.51 H new ATOM 0 HG2 GLU A 2 3.932 -0.678 2.745 1.00 74.22 H new ATOM 0 HG3 GLU A 2 3.582 1.022 2.505 1.00 74.22 H new ATOM 23 N LYS A 3 5.592 2.850 0.052 1.00 5.34 N ATOM 24 CA LYS A 3 5.437 4.296 -0.059 1.00 74.32 C ATOM 25 C LYS A 3 6.600 5.022 0.609 1.00 33.43 C ATOM 26 O LYS A 3 6.420 6.078 1.216 1.00 40.43 O ATOM 27 CB LYS A 3 4.115 4.737 0.573 1.00 12.13 C ATOM 28 CG LYS A 3 2.922 3.908 0.131 1.00 72.14 C ATOM 29 CD LYS A 3 2.769 3.914 -1.381 1.00 74.21 C ATOM 30 CE LYS A 3 2.912 2.515 -1.961 1.00 40.24 C ATOM 31 NZ LYS A 3 1.623 1.770 -1.937 1.00 21.31 N ATOM 0 H LYS A 3 5.558 2.353 -0.838 1.00 5.34 H new ATOM 0 HA LYS A 3 5.431 4.555 -1.118 1.00 74.32 H new ATOM 0 HB2 LYS A 3 4.204 4.680 1.658 1.00 12.13 H new ATOM 0 HB3 LYS A 3 3.933 5.782 0.322 1.00 12.13 H new ATOM 0 HG2 LYS A 3 3.040 2.883 0.482 1.00 72.14 H new ATOM 0 HG3 LYS A 3 2.015 4.300 0.591 1.00 72.14 H new ATOM 0 HD2 LYS A 3 1.794 4.322 -1.648 1.00 74.21 H new ATOM 0 HD3 LYS A 3 3.520 4.570 -1.821 1.00 74.21 H new ATOM 0 HE2 LYS A 3 3.273 2.583 -2.987 1.00 40.24 H new ATOM 0 HE3 LYS A 3 3.662 1.962 -1.395 1.00 40.24 H new ATOM 0 HZ1 LYS A 3 1.763 0.822 -2.341 1.00 21.31 H new ATOM 0 HZ2 LYS A 3 1.290 1.683 -0.955 1.00 21.31 H new ATOM 0 HZ3 LYS A 3 0.914 2.284 -2.498 1.00 21.31 H new ATOM 45 N THR A 4 7.794 4.449 0.494 1.00 71.12 N ATOM 46 CA THR A 4 8.986 5.041 1.086 1.00 3.44 C ATOM 47 C THR A 4 10.180 4.935 0.144 1.00 32.41 C ATOM 48 O THR A 4 10.186 4.116 -0.776 1.00 1.33 O ATOM 49 CB THR A 4 9.342 4.368 2.425 1.00 10.24 C ATOM 50 OG1 THR A 4 9.399 2.947 2.259 1.00 15.04 O ATOM 51 CG2 THR A 4 8.319 4.719 3.496 1.00 63.43 C ATOM 0 H THR A 4 7.961 3.575 -0.004 1.00 71.12 H new ATOM 0 HA THR A 4 8.760 6.092 1.265 1.00 3.44 H new ATOM 0 HB THR A 4 10.318 4.735 2.743 1.00 10.24 H new ATOM 0 HG1 THR A 4 9.628 2.527 3.114 1.00 15.04 H new ATOM 0 HG21 THR A 4 8.591 4.232 4.433 1.00 63.43 H new ATOM 0 HG22 THR A 4 8.300 5.799 3.641 1.00 63.43 H new ATOM 0 HG23 THR A 4 7.333 4.377 3.183 1.00 63.43 H new ATOM 59 N VAL A 5 11.190 5.766 0.379 1.00 11.12 N ATOM 60 CA VAL A 5 12.390 5.764 -0.448 1.00 65.30 C ATOM 61 C VAL A 5 13.463 4.855 0.142 1.00 12.05 C ATOM 62 O VAL A 5 13.921 5.065 1.266 1.00 73.30 O ATOM 63 CB VAL A 5 12.966 7.184 -0.606 1.00 22.51 C ATOM 64 CG1 VAL A 5 14.219 7.159 -1.468 1.00 51.13 C ATOM 65 CG2 VAL A 5 11.921 8.119 -1.195 1.00 45.11 C ATOM 0 H VAL A 5 11.201 6.450 1.136 1.00 11.12 H new ATOM 0 HA VAL A 5 12.098 5.388 -1.428 1.00 65.30 H new ATOM 0 HB VAL A 5 13.241 7.559 0.380 1.00 22.51 H new ATOM 0 HG11 VAL A 5 14.612 8.171 -1.569 1.00 51.13 H new ATOM 0 HG12 VAL A 5 14.970 6.523 -1.000 1.00 51.13 H new ATOM 0 HG13 VAL A 5 13.974 6.765 -2.454 1.00 51.13 H new ATOM 0 HG21 VAL A 5 12.344 9.118 -1.300 1.00 45.11 H new ATOM 0 HG22 VAL A 5 11.613 7.751 -2.174 1.00 45.11 H new ATOM 0 HG23 VAL A 5 11.055 8.160 -0.534 1.00 45.11 H new ATOM 75 N LYS A 6 13.861 3.844 -0.622 1.00 75.14 N ATOM 76 CA LYS A 6 14.881 2.902 -0.177 1.00 40.52 C ATOM 77 C LYS A 6 16.240 3.250 -0.776 1.00 3.24 C ATOM 78 O LYS A 6 16.489 3.012 -1.958 1.00 72.33 O ATOM 79 CB LYS A 6 14.491 1.475 -0.566 1.00 21.52 C ATOM 80 CG LYS A 6 13.731 0.734 0.521 1.00 10.42 C ATOM 81 CD LYS A 6 12.231 0.781 0.283 1.00 60.51 C ATOM 82 CE LYS A 6 11.455 0.444 1.547 1.00 22.40 C ATOM 83 NZ LYS A 6 11.737 -0.940 2.019 1.00 63.44 N ATOM 0 H LYS A 6 13.492 3.656 -1.554 1.00 75.14 H new ATOM 0 HA LYS A 6 14.954 2.969 0.909 1.00 40.52 H new ATOM 0 HB2 LYS A 6 13.879 1.508 -1.468 1.00 21.52 H new ATOM 0 HB3 LYS A 6 15.393 0.915 -0.813 1.00 21.52 H new ATOM 0 HG2 LYS A 6 14.063 -0.304 0.555 1.00 10.42 H new ATOM 0 HG3 LYS A 6 13.960 1.174 1.491 1.00 10.42 H new ATOM 0 HD2 LYS A 6 11.948 1.774 -0.065 1.00 60.51 H new ATOM 0 HD3 LYS A 6 11.965 0.079 -0.507 1.00 60.51 H new ATOM 0 HE2 LYS A 6 11.713 1.155 2.332 1.00 22.40 H new ATOM 0 HE3 LYS A 6 10.387 0.552 1.357 1.00 22.40 H new ATOM 0 HZ1 LYS A 6 11.164 -1.143 2.863 1.00 63.44 H new ATOM 0 HZ2 LYS A 6 11.499 -1.618 1.267 1.00 63.44 H new ATOM 0 HZ3 LYS A 6 12.746 -1.027 2.257 1.00 63.44 H new ATOM 97 N LEU A 7 17.117 3.813 0.048 1.00 44.42 N ATOM 98 CA LEU A 7 18.453 4.193 -0.400 1.00 20.41 C ATOM 99 C LEU A 7 19.443 3.052 -0.188 1.00 32.44 C ATOM 100 O LEU A 7 19.577 2.530 0.920 1.00 53.32 O ATOM 101 CB LEU A 7 18.928 5.440 0.347 1.00 13.30 C ATOM 102 CG LEU A 7 18.722 6.773 -0.374 1.00 64.01 C ATOM 103 CD1 LEU A 7 18.661 7.917 0.626 1.00 44.11 C ATOM 104 CD2 LEU A 7 19.833 7.007 -1.388 1.00 55.12 C ATOM 0 H LEU A 7 16.928 4.016 1.029 1.00 44.42 H new ATOM 0 HA LEU A 7 18.403 4.413 -1.466 1.00 20.41 H new ATOM 0 HB2 LEU A 7 18.411 5.484 1.305 1.00 13.30 H new ATOM 0 HB3 LEU A 7 19.990 5.327 0.563 1.00 13.30 H new ATOM 0 HG LEU A 7 17.772 6.733 -0.907 1.00 64.01 H new ATOM 0 HD11 LEU A 7 18.514 8.857 0.095 1.00 44.11 H new ATOM 0 HD12 LEU A 7 17.831 7.755 1.314 1.00 44.11 H new ATOM 0 HD13 LEU A 7 19.594 7.960 1.188 1.00 44.11 H new ATOM 0 HD21 LEU A 7 19.671 7.960 -1.892 1.00 55.12 H new ATOM 0 HD22 LEU A 7 20.795 7.026 -0.876 1.00 55.12 H new ATOM 0 HD23 LEU A 7 19.830 6.202 -2.123 1.00 55.12 H new ATOM 116 N TYR A 8 20.135 2.670 -1.255 1.00 5.11 N ATOM 117 CA TYR A 8 21.113 1.591 -1.186 1.00 23.23 C ATOM 118 C TYR A 8 22.535 2.139 -1.257 1.00 64.30 C ATOM 119 O TYR A 8 22.831 3.025 -2.058 1.00 72.42 O ATOM 120 CB TYR A 8 20.882 0.592 -2.321 1.00 24.43 C ATOM 121 CG TYR A 8 21.885 -0.540 -2.345 1.00 1.32 C ATOM 122 CD1 TYR A 8 22.397 -1.065 -1.165 1.00 22.32 C ATOM 123 CD2 TYR A 8 22.321 -1.082 -3.547 1.00 63.41 C ATOM 124 CE1 TYR A 8 23.314 -2.099 -1.182 1.00 2.52 C ATOM 125 CE2 TYR A 8 23.237 -2.117 -3.574 1.00 13.44 C ATOM 126 CZ TYR A 8 23.730 -2.621 -2.389 1.00 24.15 C ATOM 127 OH TYR A 8 24.644 -3.650 -2.411 1.00 35.32 O ATOM 0 H TYR A 8 20.037 3.092 -2.179 1.00 5.11 H new ATOM 0 HA TYR A 8 20.987 1.081 -0.231 1.00 23.23 H new ATOM 0 HB2 TYR A 8 19.879 0.176 -2.229 1.00 24.43 H new ATOM 0 HB3 TYR A 8 20.921 1.121 -3.273 1.00 24.43 H new ATOM 0 HD1 TYR A 8 22.073 -0.658 -0.218 1.00 22.32 H new ATOM 0 HD2 TYR A 8 21.938 -0.688 -4.477 1.00 63.41 H new ATOM 0 HE1 TYR A 8 23.702 -2.496 -0.256 1.00 2.52 H new ATOM 0 HE2 TYR A 8 23.564 -2.528 -4.517 1.00 13.44 H new ATOM 0 HH TYR A 8 25.410 -3.419 -1.845 1.00 35.32 H new ATOM 137 N GLU A 9 23.412 1.603 -0.413 1.00 11.41 N ATOM 138 CA GLU A 9 24.803 2.039 -0.380 1.00 22.54 C ATOM 139 C GLU A 9 25.495 1.751 -1.709 1.00 22.41 C ATOM 140 O GLU A 9 26.236 2.585 -2.229 1.00 4.04 O ATOM 141 CB GLU A 9 25.552 1.342 0.759 1.00 74.12 C ATOM 142 CG GLU A 9 25.836 -0.126 0.491 1.00 24.42 C ATOM 143 CD GLU A 9 26.424 -0.836 1.696 1.00 51.31 C ATOM 144 OE1 GLU A 9 25.785 -0.814 2.768 1.00 14.42 O ATOM 145 OE2 GLU A 9 27.524 -1.413 1.565 1.00 35.24 O ATOM 0 H GLU A 9 23.184 0.867 0.256 1.00 11.41 H new ATOM 0 HA GLU A 9 24.816 3.115 -0.209 1.00 22.54 H new ATOM 0 HB2 GLU A 9 26.495 1.860 0.933 1.00 74.12 H new ATOM 0 HB3 GLU A 9 24.967 1.429 1.674 1.00 74.12 H new ATOM 0 HG2 GLU A 9 24.912 -0.623 0.196 1.00 24.42 H new ATOM 0 HG3 GLU A 9 26.526 -0.211 -0.349 1.00 24.42 H new ATOM 152 N ASP A 10 25.248 0.564 -2.253 1.00 10.22 N ATOM 153 CA ASP A 10 25.846 0.165 -3.522 1.00 1.14 C ATOM 154 C ASP A 10 24.826 0.248 -4.653 1.00 43.21 C ATOM 155 O ASP A 10 23.819 0.948 -4.546 1.00 51.40 O ATOM 156 CB ASP A 10 26.402 -1.256 -3.423 1.00 23.21 C ATOM 157 CG ASP A 10 27.772 -1.387 -4.059 1.00 70.44 C ATOM 158 OD1 ASP A 10 28.772 -1.057 -3.388 1.00 73.22 O ATOM 159 OD2 ASP A 10 27.844 -1.819 -5.229 1.00 62.51 O ATOM 0 H ASP A 10 24.638 -0.138 -1.835 1.00 10.22 H new ATOM 0 HA ASP A 10 26.663 0.852 -3.743 1.00 1.14 H new ATOM 0 HB2 ASP A 10 26.462 -1.547 -2.374 1.00 23.21 H new ATOM 0 HB3 ASP A 10 25.712 -1.947 -3.907 1.00 23.21 H new ATOM 164 N THR A 11 25.095 -0.471 -5.739 1.00 13.51 N ATOM 165 CA THR A 11 24.202 -0.477 -6.891 1.00 44.52 C ATOM 166 C THR A 11 23.709 -1.886 -7.197 1.00 71.01 C ATOM 167 O THR A 11 24.244 -2.868 -6.681 1.00 42.30 O ATOM 168 CB THR A 11 24.896 0.095 -8.142 1.00 64.11 C ATOM 169 OG1 THR A 11 25.796 -0.875 -8.689 1.00 65.12 O ATOM 170 CG2 THR A 11 25.658 1.368 -7.804 1.00 63.53 C ATOM 0 H THR A 11 25.924 -1.056 -5.844 1.00 13.51 H new ATOM 0 HA THR A 11 23.351 0.155 -6.635 1.00 44.52 H new ATOM 0 HB THR A 11 24.129 0.335 -8.879 1.00 64.11 H new ATOM 0 HG1 THR A 11 26.232 -0.505 -9.485 1.00 65.12 H new ATOM 0 HG21 THR A 11 26.140 1.753 -8.703 1.00 63.53 H new ATOM 0 HG22 THR A 11 24.965 2.114 -7.415 1.00 63.53 H new ATOM 0 HG23 THR A 11 26.416 1.150 -7.052 1.00 63.53 H new ATOM 178 N HIS A 12 22.685 -1.980 -8.040 1.00 44.21 N ATOM 179 CA HIS A 12 22.120 -3.271 -8.416 1.00 4.00 C ATOM 180 C HIS A 12 21.340 -3.881 -7.255 1.00 61.05 C ATOM 181 O HIS A 12 20.904 -5.030 -7.324 1.00 35.24 O ATOM 182 CB HIS A 12 23.228 -4.227 -8.859 1.00 45.22 C ATOM 183 CG HIS A 12 22.829 -5.124 -9.990 1.00 33.02 C ATOM 184 ND1 HIS A 12 22.349 -6.403 -9.802 1.00 71.10 N ATOM 185 CD2 HIS A 12 22.838 -4.920 -11.328 1.00 10.12 C ATOM 186 CE1 HIS A 12 22.082 -6.948 -10.976 1.00 0.53 C ATOM 187 NE2 HIS A 12 22.370 -6.068 -11.918 1.00 53.11 N ATOM 0 H HIS A 12 22.230 -1.178 -8.475 1.00 44.21 H new ATOM 0 HA HIS A 12 21.434 -3.111 -9.248 1.00 4.00 H new ATOM 0 HB2 HIS A 12 24.100 -3.646 -9.158 1.00 45.22 H new ATOM 0 HB3 HIS A 12 23.529 -4.840 -8.009 1.00 45.22 H new ATOM 0 HD2 HIS A 12 23.154 -4.021 -11.837 1.00 10.12 H new ATOM 0 HE1 HIS A 12 21.694 -7.943 -11.138 1.00 0.53 H new ATOM 0 HE2 HIS A 12 22.262 -6.217 -12.921 1.00 53.11 H new ATOM 195 N PHE A 13 21.169 -3.105 -6.191 1.00 1.53 N ATOM 196 CA PHE A 13 20.443 -3.569 -5.014 1.00 60.14 C ATOM 197 C PHE A 13 20.926 -4.952 -4.588 1.00 63.21 C ATOM 198 O PHE A 13 20.139 -5.892 -4.481 1.00 34.31 O ATOM 199 CB PHE A 13 18.940 -3.607 -5.299 1.00 0.34 C ATOM 200 CG PHE A 13 18.437 -2.394 -6.029 1.00 24.14 C ATOM 201 CD1 PHE A 13 18.479 -1.144 -5.433 1.00 15.14 C ATOM 202 CD2 PHE A 13 17.924 -2.504 -7.311 1.00 24.31 C ATOM 203 CE1 PHE A 13 18.016 -0.027 -6.102 1.00 11.31 C ATOM 204 CE2 PHE A 13 17.461 -1.390 -7.985 1.00 74.54 C ATOM 205 CZ PHE A 13 17.508 -0.150 -7.380 1.00 55.13 C ATOM 0 H PHE A 13 21.523 -2.151 -6.119 1.00 1.53 H new ATOM 0 HA PHE A 13 20.634 -2.870 -4.200 1.00 60.14 H new ATOM 0 HB2 PHE A 13 18.712 -4.496 -5.888 1.00 0.34 H new ATOM 0 HB3 PHE A 13 18.402 -3.703 -4.356 1.00 0.34 H new ATOM 0 HD1 PHE A 13 18.878 -1.041 -4.435 1.00 15.14 H new ATOM 0 HD2 PHE A 13 17.885 -3.472 -7.789 1.00 24.31 H new ATOM 0 HE1 PHE A 13 18.051 0.942 -5.626 1.00 11.31 H new ATOM 0 HE2 PHE A 13 17.063 -1.489 -8.984 1.00 74.54 H new ATOM 0 HZ PHE A 13 17.148 0.722 -7.905 1.00 55.13 H new ATOM 215 N LYS A 14 22.228 -5.069 -4.346 1.00 74.15 N ATOM 216 CA LYS A 14 22.818 -6.336 -3.931 1.00 44.32 C ATOM 217 C LYS A 14 23.328 -6.254 -2.496 1.00 14.24 C ATOM 218 O LYS A 14 24.252 -6.969 -2.113 1.00 22.51 O ATOM 219 CB LYS A 14 23.965 -6.719 -4.869 1.00 62.02 C ATOM 220 CG LYS A 14 25.093 -5.702 -4.898 1.00 24.43 C ATOM 221 CD LYS A 14 26.269 -6.150 -4.045 1.00 40.04 C ATOM 222 CE LYS A 14 27.597 -5.774 -4.685 1.00 54.14 C ATOM 223 NZ LYS A 14 28.688 -6.705 -4.286 1.00 3.42 N ATOM 0 H LYS A 14 22.894 -4.301 -4.430 1.00 74.15 H new ATOM 0 HA LYS A 14 22.044 -7.102 -3.980 1.00 44.32 H new ATOM 0 HB2 LYS A 14 24.366 -7.685 -4.563 1.00 62.02 H new ATOM 0 HB3 LYS A 14 23.572 -6.842 -5.878 1.00 62.02 H new ATOM 0 HG2 LYS A 14 25.424 -5.553 -5.926 1.00 24.43 H new ATOM 0 HG3 LYS A 14 24.727 -4.740 -4.538 1.00 24.43 H new ATOM 0 HD2 LYS A 14 26.198 -5.694 -3.057 1.00 40.04 H new ATOM 0 HD3 LYS A 14 26.226 -7.230 -3.902 1.00 40.04 H new ATOM 0 HE2 LYS A 14 27.492 -5.781 -5.770 1.00 54.14 H new ATOM 0 HE3 LYS A 14 27.864 -4.757 -4.397 1.00 54.14 H new ATOM 0 HZ1 LYS A 14 29.576 -6.415 -4.743 1.00 3.42 H new ATOM 0 HZ2 LYS A 14 28.806 -6.680 -3.253 1.00 3.42 H new ATOM 0 HZ3 LYS A 14 28.445 -7.672 -4.583 1.00 3.42 H new ATOM 237 N GLY A 15 22.716 -5.377 -1.705 1.00 23.14 N ATOM 238 CA GLY A 15 23.121 -5.219 -0.320 1.00 31.42 C ATOM 239 C GLY A 15 21.958 -4.870 0.588 1.00 61.32 C ATOM 240 O GLY A 15 20.937 -5.558 0.592 1.00 53.21 O ATOM 0 H GLY A 15 21.948 -4.774 -1.998 1.00 23.14 H new ATOM 0 HA2 GLY A 15 23.585 -6.142 0.027 1.00 31.42 H new ATOM 0 HA3 GLY A 15 23.878 -4.437 -0.253 1.00 31.42 H new ATOM 244 N TYR A 16 22.113 -3.801 1.360 1.00 51.52 N ATOM 245 CA TYR A 16 21.069 -3.364 2.279 1.00 12.11 C ATOM 246 C TYR A 16 20.774 -1.877 2.103 1.00 64.42 C ATOM 247 O TYR A 16 21.689 -1.060 2.000 1.00 11.24 O ATOM 248 CB TYR A 16 21.483 -3.645 3.725 1.00 74.34 C ATOM 249 CG TYR A 16 20.313 -3.828 4.665 1.00 75.54 C ATOM 250 CD1 TYR A 16 19.619 -2.733 5.163 1.00 13.42 C ATOM 251 CD2 TYR A 16 19.901 -5.097 5.055 1.00 44.10 C ATOM 252 CE1 TYR A 16 18.550 -2.895 6.023 1.00 55.11 C ATOM 253 CE2 TYR A 16 18.832 -5.269 5.913 1.00 44.31 C ATOM 254 CZ TYR A 16 18.160 -4.165 6.394 1.00 11.13 C ATOM 255 OH TYR A 16 17.096 -4.332 7.250 1.00 15.23 O ATOM 0 H TYR A 16 22.952 -3.221 1.368 1.00 51.52 H new ATOM 0 HA TYR A 16 20.163 -3.925 2.051 1.00 12.11 H new ATOM 0 HB2 TYR A 16 22.101 -4.542 3.749 1.00 74.34 H new ATOM 0 HB3 TYR A 16 22.101 -2.822 4.084 1.00 74.34 H new ATOM 0 HD1 TYR A 16 19.920 -1.737 4.873 1.00 13.42 H new ATOM 0 HD2 TYR A 16 20.426 -5.964 4.681 1.00 44.10 H new ATOM 0 HE1 TYR A 16 18.023 -2.032 6.403 1.00 55.11 H new ATOM 0 HE2 TYR A 16 18.524 -6.262 6.205 1.00 44.31 H new ATOM 0 HH TYR A 16 16.951 -5.288 7.409 1.00 15.23 H new ATOM 265 N SER A 17 19.490 -1.535 2.069 1.00 65.11 N ATOM 266 CA SER A 17 19.073 -0.148 1.902 1.00 43.11 C ATOM 267 C SER A 17 18.310 0.341 3.129 1.00 41.40 C ATOM 268 O SER A 17 17.992 -0.437 4.028 1.00 71.42 O ATOM 269 CB SER A 17 18.201 -0.002 0.653 1.00 23.23 C ATOM 270 OG SER A 17 17.592 -1.235 0.310 1.00 12.43 O ATOM 0 H SER A 17 18.721 -2.199 2.155 1.00 65.11 H new ATOM 0 HA SER A 17 19.968 0.463 1.785 1.00 43.11 H new ATOM 0 HB2 SER A 17 17.432 0.751 0.828 1.00 23.23 H new ATOM 0 HB3 SER A 17 18.809 0.351 -0.180 1.00 23.23 H new ATOM 0 HG SER A 17 17.039 -1.115 -0.490 1.00 12.43 H new ATOM 276 N VAL A 18 18.019 1.638 3.159 1.00 5.22 N ATOM 277 CA VAL A 18 17.293 2.233 4.274 1.00 12.05 C ATOM 278 C VAL A 18 16.029 2.937 3.794 1.00 41.32 C ATOM 279 O VAL A 18 16.044 3.638 2.783 1.00 44.52 O ATOM 280 CB VAL A 18 18.169 3.241 5.041 1.00 1.14 C ATOM 281 CG1 VAL A 18 18.462 4.459 4.179 1.00 52.24 C ATOM 282 CG2 VAL A 18 17.496 3.649 6.343 1.00 22.03 C ATOM 0 H VAL A 18 18.275 2.296 2.423 1.00 5.22 H new ATOM 0 HA VAL A 18 17.019 1.418 4.944 1.00 12.05 H new ATOM 0 HB VAL A 18 19.117 2.761 5.283 1.00 1.14 H new ATOM 0 HG11 VAL A 18 19.082 5.160 4.738 1.00 52.24 H new ATOM 0 HG12 VAL A 18 18.989 4.148 3.277 1.00 52.24 H new ATOM 0 HG13 VAL A 18 17.525 4.943 3.903 1.00 52.24 H new ATOM 0 HG21 VAL A 18 18.129 4.362 6.872 1.00 22.03 H new ATOM 0 HG22 VAL A 18 16.533 4.111 6.126 1.00 22.03 H new ATOM 0 HG23 VAL A 18 17.343 2.767 6.966 1.00 22.03 H new ATOM 292 N GLU A 19 14.936 2.746 4.526 1.00 23.33 N ATOM 293 CA GLU A 19 13.663 3.363 4.174 1.00 42.13 C ATOM 294 C GLU A 19 13.632 4.828 4.601 1.00 60.23 C ATOM 295 O GLU A 19 14.173 5.194 5.645 1.00 21.51 O ATOM 296 CB GLU A 19 12.505 2.605 4.827 1.00 44.33 C ATOM 297 CG GLU A 19 12.580 2.570 6.344 1.00 71.11 C ATOM 298 CD GLU A 19 13.285 1.332 6.865 1.00 53.34 C ATOM 299 OE1 GLU A 19 12.618 0.285 7.004 1.00 0.55 O ATOM 300 OE2 GLU A 19 14.502 1.410 7.132 1.00 13.44 O ATOM 0 H GLU A 19 14.907 2.169 5.366 1.00 23.33 H new ATOM 0 HA GLU A 19 13.553 3.316 3.091 1.00 42.13 H new ATOM 0 HB2 GLU A 19 11.564 3.068 4.529 1.00 44.33 H new ATOM 0 HB3 GLU A 19 12.491 1.583 4.448 1.00 44.33 H new ATOM 0 HG2 GLU A 19 13.103 3.458 6.699 1.00 71.11 H new ATOM 0 HG3 GLU A 19 11.571 2.609 6.755 1.00 71.11 H new ATOM 307 N LEU A 20 12.996 5.662 3.786 1.00 72.13 N ATOM 308 CA LEU A 20 12.894 7.088 4.078 1.00 73.45 C ATOM 309 C LEU A 20 11.515 7.623 3.703 1.00 23.30 C ATOM 310 O LEU A 20 11.274 8.052 2.575 1.00 65.15 O ATOM 311 CB LEU A 20 13.976 7.861 3.323 1.00 41.51 C ATOM 312 CG LEU A 20 15.421 7.543 3.709 1.00 41.52 C ATOM 313 CD1 LEU A 20 16.387 8.425 2.933 1.00 2.30 C ATOM 314 CD2 LEU A 20 15.623 7.717 5.207 1.00 65.30 C ATOM 0 H LEU A 20 12.543 5.376 2.918 1.00 72.13 H new ATOM 0 HA LEU A 20 13.038 7.226 5.150 1.00 73.45 H new ATOM 0 HB2 LEU A 20 13.855 7.668 2.257 1.00 41.51 H new ATOM 0 HB3 LEU A 20 13.806 8.927 3.476 1.00 41.51 H new ATOM 0 HG LEU A 20 15.625 6.503 3.453 1.00 41.52 H new ATOM 0 HD11 LEU A 20 17.410 8.185 3.221 1.00 2.30 H new ATOM 0 HD12 LEU A 20 16.260 8.251 1.864 1.00 2.30 H new ATOM 0 HD13 LEU A 20 16.184 9.472 3.157 1.00 2.30 H new ATOM 0 HD21 LEU A 20 16.657 7.487 5.464 1.00 65.30 H new ATOM 0 HD22 LEU A 20 15.400 8.747 5.487 1.00 65.30 H new ATOM 0 HD23 LEU A 20 14.957 7.043 5.745 1.00 65.30 H new ATOM 326 N PRO A 21 10.588 7.599 4.672 1.00 50.41 N ATOM 327 CA PRO A 21 9.218 8.081 4.469 1.00 45.15 C ATOM 328 C PRO A 21 9.155 9.596 4.309 1.00 54.23 C ATOM 329 O PRO A 21 10.147 10.295 4.514 1.00 65.41 O ATOM 330 CB PRO A 21 8.496 7.647 5.747 1.00 45.43 C ATOM 331 CG PRO A 21 9.571 7.549 6.774 1.00 71.11 C ATOM 332 CD PRO A 21 10.805 7.102 6.041 1.00 61.44 C ATOM 0 HA PRO A 21 8.776 7.680 3.557 1.00 45.15 H new ATOM 0 HB2 PRO A 21 7.735 8.372 6.038 1.00 45.43 H new ATOM 0 HB3 PRO A 21 7.990 6.691 5.611 1.00 45.43 H new ATOM 0 HG2 PRO A 21 9.734 8.510 7.262 1.00 71.11 H new ATOM 0 HG3 PRO A 21 9.301 6.837 7.554 1.00 71.11 H new ATOM 0 HD2 PRO A 21 11.709 7.522 6.482 1.00 61.44 H new ATOM 0 HD3 PRO A 21 10.914 6.018 6.062 1.00 61.44 H new ATOM 340 N VAL A 22 7.980 10.099 3.941 1.00 2.15 N ATOM 341 CA VAL A 22 7.787 11.532 3.756 1.00 55.23 C ATOM 342 C VAL A 22 8.554 12.331 4.803 1.00 31.23 C ATOM 343 O VAL A 22 8.298 12.211 6.001 1.00 41.03 O ATOM 344 CB VAL A 22 6.295 11.911 3.828 1.00 4.11 C ATOM 345 CG1 VAL A 22 6.114 13.407 3.620 1.00 33.14 C ATOM 346 CG2 VAL A 22 5.495 11.121 2.804 1.00 41.14 C ATOM 0 H VAL A 22 7.148 9.535 3.765 1.00 2.15 H new ATOM 0 HA VAL A 22 8.170 11.777 2.765 1.00 55.23 H new ATOM 0 HB VAL A 22 5.921 11.659 4.820 1.00 4.11 H new ATOM 0 HG11 VAL A 22 5.054 13.656 3.674 1.00 33.14 H new ATOM 0 HG12 VAL A 22 6.655 13.950 4.395 1.00 33.14 H new ATOM 0 HG13 VAL A 22 6.503 13.688 2.641 1.00 33.14 H new ATOM 0 HG21 VAL A 22 4.444 11.401 2.869 1.00 41.14 H new ATOM 0 HG22 VAL A 22 5.868 11.340 1.803 1.00 41.14 H new ATOM 0 HG23 VAL A 22 5.599 10.055 3.005 1.00 41.14 H new ATOM 356 N GLY A 23 9.497 13.147 4.343 1.00 2.44 N ATOM 357 CA GLY A 23 10.288 13.955 5.254 1.00 72.21 C ATOM 358 C GLY A 23 11.657 14.286 4.695 1.00 42.43 C ATOM 359 O GLY A 23 12.026 13.816 3.618 1.00 1.53 O ATOM 0 H GLY A 23 9.728 13.263 3.356 1.00 2.44 H new ATOM 0 HA2 GLY A 23 9.754 14.880 5.471 1.00 72.21 H new ATOM 0 HA3 GLY A 23 10.403 13.424 6.199 1.00 72.21 H new ATOM 363 N ASP A 24 12.412 15.099 5.426 1.00 51.11 N ATOM 364 CA ASP A 24 13.748 15.494 4.996 1.00 5.05 C ATOM 365 C ASP A 24 14.806 14.973 5.965 1.00 43.45 C ATOM 366 O ASP A 24 14.577 14.905 7.172 1.00 20.03 O ATOM 367 CB ASP A 24 13.843 17.017 4.888 1.00 24.34 C ATOM 368 CG ASP A 24 12.855 17.724 5.794 1.00 12.22 C ATOM 369 OD1 ASP A 24 12.946 17.545 7.027 1.00 74.00 O ATOM 370 OD2 ASP A 24 11.991 18.458 5.270 1.00 31.14 O ATOM 0 H ASP A 24 12.121 15.497 6.319 1.00 51.11 H new ATOM 0 HA ASP A 24 13.932 15.056 4.015 1.00 5.05 H new ATOM 0 HB2 ASP A 24 14.855 17.334 5.141 1.00 24.34 H new ATOM 0 HB3 ASP A 24 13.664 17.317 3.856 1.00 24.34 H new ATOM 375 N TYR A 25 15.964 14.607 5.426 1.00 30.23 N ATOM 376 CA TYR A 25 17.056 14.089 6.242 1.00 60.21 C ATOM 377 C TYR A 25 18.357 14.827 5.942 1.00 23.31 C ATOM 378 O TYR A 25 18.839 14.824 4.810 1.00 55.00 O ATOM 379 CB TYR A 25 17.238 12.590 5.995 1.00 1.24 C ATOM 380 CG TYR A 25 15.936 11.823 5.940 1.00 43.24 C ATOM 381 CD1 TYR A 25 15.126 11.872 4.812 1.00 11.12 C ATOM 382 CD2 TYR A 25 15.517 11.049 7.014 1.00 22.55 C ATOM 383 CE1 TYR A 25 13.935 11.173 4.757 1.00 4.54 C ATOM 384 CE2 TYR A 25 14.329 10.345 6.968 1.00 50.41 C ATOM 385 CZ TYR A 25 13.541 10.411 5.838 1.00 44.55 C ATOM 386 OH TYR A 25 12.357 9.713 5.786 1.00 31.03 O ATOM 0 H TYR A 25 16.171 14.659 4.428 1.00 30.23 H new ATOM 0 HA TYR A 25 16.801 14.250 7.290 1.00 60.21 H new ATOM 0 HB2 TYR A 25 17.774 12.447 5.057 1.00 1.24 H new ATOM 0 HB3 TYR A 25 17.862 12.173 6.785 1.00 1.24 H new ATOM 0 HD1 TYR A 25 15.432 12.466 3.964 1.00 11.12 H new ATOM 0 HD2 TYR A 25 16.131 10.996 7.901 1.00 22.55 H new ATOM 0 HE1 TYR A 25 13.316 11.223 3.873 1.00 4.54 H new ATOM 0 HE2 TYR A 25 14.019 9.747 7.812 1.00 50.41 H new ATOM 0 HH TYR A 25 11.842 10.000 5.003 1.00 31.03 H new ATOM 396 N ASN A 26 18.922 15.458 6.967 1.00 74.42 N ATOM 397 CA ASN A 26 20.168 16.200 6.815 1.00 55.23 C ATOM 398 C ASN A 26 21.372 15.272 6.935 1.00 3.02 C ATOM 399 O ASN A 26 21.223 14.060 7.094 1.00 34.31 O ATOM 400 CB ASN A 26 20.256 17.309 7.866 1.00 64.34 C ATOM 401 CG ASN A 26 20.726 18.626 7.278 1.00 34.24 C ATOM 402 OD1 ASN A 26 20.005 19.269 6.515 1.00 5.50 O ATOM 403 ND2 ASN A 26 21.939 19.033 7.633 1.00 71.40 N ATOM 0 H ASN A 26 18.537 15.470 7.911 1.00 74.42 H new ATOM 0 HA ASN A 26 20.176 16.649 5.822 1.00 55.23 H new ATOM 0 HB2 ASN A 26 19.278 17.448 8.326 1.00 64.34 H new ATOM 0 HB3 ASN A 26 20.940 17.003 8.657 1.00 64.34 H new ATOM 0 HD21 ASN A 26 22.309 19.912 7.270 1.00 71.40 H new ATOM 0 HD22 ASN A 26 22.501 18.467 8.268 1.00 71.40 H new ATOM 410 N LEU A 27 22.566 15.849 6.859 1.00 25.03 N ATOM 411 CA LEU A 27 23.798 15.074 6.961 1.00 44.14 C ATOM 412 C LEU A 27 23.777 14.177 8.194 1.00 63.54 C ATOM 413 O LEU A 27 23.844 12.952 8.084 1.00 40.32 O ATOM 414 CB LEU A 27 25.008 16.008 7.016 1.00 5.23 C ATOM 415 CG LEU A 27 26.317 15.383 7.502 1.00 51.42 C ATOM 416 CD1 LEU A 27 27.485 15.863 6.654 1.00 54.50 C ATOM 417 CD2 LEU A 27 26.551 15.710 8.970 1.00 64.35 C ATOM 0 H LEU A 27 22.707 16.850 6.727 1.00 25.03 H new ATOM 0 HA LEU A 27 23.875 14.442 6.076 1.00 44.14 H new ATOM 0 HB2 LEU A 27 25.172 16.417 6.019 1.00 5.23 H new ATOM 0 HB3 LEU A 27 24.765 16.847 7.668 1.00 5.23 H new ATOM 0 HG LEU A 27 26.241 14.301 7.399 1.00 51.42 H new ATOM 0 HD11 LEU A 27 28.408 15.408 7.014 1.00 54.50 H new ATOM 0 HD12 LEU A 27 27.322 15.578 5.615 1.00 54.50 H new ATOM 0 HD13 LEU A 27 27.564 16.948 6.724 1.00 54.50 H new ATOM 0 HD21 LEU A 27 27.486 15.257 9.299 1.00 64.35 H new ATOM 0 HD22 LEU A 27 26.606 16.791 9.098 1.00 64.35 H new ATOM 0 HD23 LEU A 27 25.728 15.316 9.566 1.00 64.35 H new ATOM 429 N SER A 28 23.682 14.794 9.367 1.00 71.30 N ATOM 430 CA SER A 28 23.653 14.051 10.621 1.00 23.34 C ATOM 431 C SER A 28 22.477 13.080 10.651 1.00 33.11 C ATOM 432 O SER A 28 22.623 11.922 11.042 1.00 70.25 O ATOM 433 CB SER A 28 23.565 15.014 11.807 1.00 33.40 C ATOM 434 OG SER A 28 22.241 15.490 11.980 1.00 62.34 O ATOM 0 H SER A 28 23.624 15.807 9.475 1.00 71.30 H new ATOM 0 HA SER A 28 24.577 13.477 10.696 1.00 23.34 H new ATOM 0 HB2 SER A 28 23.895 14.509 12.715 1.00 33.40 H new ATOM 0 HB3 SER A 28 24.239 15.855 11.647 1.00 33.40 H new ATOM 0 HG SER A 28 22.211 16.102 12.745 1.00 62.34 H new ATOM 440 N SER A 29 21.310 13.562 10.235 1.00 34.44 N ATOM 441 CA SER A 29 20.106 12.739 10.217 1.00 31.25 C ATOM 442 C SER A 29 20.326 11.472 9.395 1.00 14.45 C ATOM 443 O SER A 29 19.728 10.430 9.667 1.00 3.14 O ATOM 444 CB SER A 29 18.929 13.532 9.648 1.00 54.44 C ATOM 445 OG SER A 29 17.743 13.286 10.384 1.00 61.53 O ATOM 0 H SER A 29 21.173 14.518 9.906 1.00 34.44 H new ATOM 0 HA SER A 29 19.878 12.450 11.243 1.00 31.25 H new ATOM 0 HB2 SER A 29 19.160 14.597 9.670 1.00 54.44 H new ATOM 0 HB3 SER A 29 18.775 13.261 8.604 1.00 54.44 H new ATOM 0 HG SER A 29 17.006 13.806 10.001 1.00 61.53 H new ATOM 451 N LEU A 30 21.187 11.570 8.389 1.00 54.43 N ATOM 452 CA LEU A 30 21.487 10.434 7.525 1.00 31.53 C ATOM 453 C LEU A 30 22.367 9.419 8.248 1.00 72.52 C ATOM 454 O LEU A 30 22.264 8.214 8.012 1.00 42.32 O ATOM 455 CB LEU A 30 22.180 10.908 6.247 1.00 60.12 C ATOM 456 CG LEU A 30 21.279 11.099 5.026 1.00 21.31 C ATOM 457 CD1 LEU A 30 21.545 12.446 4.372 1.00 71.41 C ATOM 458 CD2 LEU A 30 21.487 9.969 4.028 1.00 33.22 C ATOM 0 H LEU A 30 21.690 12.425 8.151 1.00 54.43 H new ATOM 0 HA LEU A 30 20.546 9.951 7.262 1.00 31.53 H new ATOM 0 HB2 LEU A 30 22.678 11.854 6.457 1.00 60.12 H new ATOM 0 HB3 LEU A 30 22.958 10.188 5.991 1.00 60.12 H new ATOM 0 HG LEU A 30 20.241 11.078 5.357 1.00 21.31 H new ATOM 0 HD11 LEU A 30 20.895 12.564 3.505 1.00 71.41 H new ATOM 0 HD12 LEU A 30 21.345 13.244 5.087 1.00 71.41 H new ATOM 0 HD13 LEU A 30 22.586 12.497 4.054 1.00 71.41 H new ATOM 0 HD21 LEU A 30 20.838 10.121 3.166 1.00 33.22 H new ATOM 0 HD22 LEU A 30 22.527 9.958 3.702 1.00 33.22 H new ATOM 0 HD23 LEU A 30 21.245 9.017 4.501 1.00 33.22 H new ATOM 470 N ILE A 31 23.229 9.913 9.130 1.00 62.44 N ATOM 471 CA ILE A 31 24.124 9.048 9.889 1.00 43.22 C ATOM 472 C ILE A 31 23.342 8.131 10.822 1.00 33.14 C ATOM 473 O ILE A 31 23.611 6.932 10.902 1.00 44.55 O ATOM 474 CB ILE A 31 25.130 9.869 10.718 1.00 61.42 C ATOM 475 CG1 ILE A 31 25.726 10.993 9.869 1.00 4.40 C ATOM 476 CG2 ILE A 31 26.229 8.967 11.260 1.00 3.20 C ATOM 477 CD1 ILE A 31 26.293 10.519 8.549 1.00 54.11 C ATOM 0 H ILE A 31 23.327 10.907 9.337 1.00 62.44 H new ATOM 0 HA ILE A 31 24.670 8.444 9.164 1.00 43.22 H new ATOM 0 HB ILE A 31 24.605 10.316 11.562 1.00 61.42 H new ATOM 0 HG12 ILE A 31 24.955 11.740 9.677 1.00 4.40 H new ATOM 0 HG13 ILE A 31 26.514 11.487 10.437 1.00 4.40 H new ATOM 0 HG21 ILE A 31 26.932 9.561 11.844 1.00 3.20 H new ATOM 0 HG22 ILE A 31 25.789 8.198 11.895 1.00 3.20 H new ATOM 0 HG23 ILE A 31 26.754 8.495 10.430 1.00 3.20 H new ATOM 0 HD11 ILE A 31 26.698 11.369 8.001 1.00 54.11 H new ATOM 0 HD12 ILE A 31 27.086 9.795 8.733 1.00 54.11 H new ATOM 0 HD13 ILE A 31 25.504 10.051 7.961 1.00 54.11 H new ATOM 489 N SER A 32 22.370 8.702 11.527 1.00 51.13 N ATOM 490 CA SER A 32 21.549 7.936 12.457 1.00 55.31 C ATOM 491 C SER A 32 20.920 6.732 11.762 1.00 0.12 C ATOM 492 O SER A 32 20.904 5.627 12.305 1.00 51.21 O ATOM 493 CB SER A 32 20.454 8.824 13.054 1.00 63.53 C ATOM 494 OG SER A 32 19.488 8.048 13.741 1.00 12.45 O ATOM 0 H SER A 32 22.132 9.692 11.472 1.00 51.13 H new ATOM 0 HA SER A 32 22.193 7.575 13.259 1.00 55.31 H new ATOM 0 HB2 SER A 32 20.899 9.546 13.739 1.00 63.53 H new ATOM 0 HB3 SER A 32 19.970 9.394 12.261 1.00 63.53 H new ATOM 0 HG SER A 32 18.800 8.638 14.115 1.00 12.45 H new ATOM 500 N ARG A 33 20.403 6.955 10.558 1.00 23.22 N ATOM 501 CA ARG A 33 19.772 5.889 9.789 1.00 42.33 C ATOM 502 C ARG A 33 20.777 4.789 9.458 1.00 53.42 C ATOM 503 O ARG A 33 20.397 3.661 9.147 1.00 3.04 O ATOM 504 CB ARG A 33 19.171 6.450 8.499 1.00 54.31 C ATOM 505 CG ARG A 33 17.676 6.714 8.588 1.00 24.11 C ATOM 506 CD ARG A 33 17.359 8.189 8.400 1.00 12.25 C ATOM 507 NE ARG A 33 16.258 8.625 9.255 1.00 34.01 N ATOM 508 CZ ARG A 33 16.399 8.922 10.542 1.00 44.50 C ATOM 509 NH1 ARG A 33 17.589 8.832 11.119 1.00 25.05 N ATOM 510 NH2 ARG A 33 15.350 9.312 11.254 1.00 75.03 N ATOM 0 H ARG A 33 20.409 7.864 10.094 1.00 23.22 H new ATOM 0 HA ARG A 33 18.976 5.459 10.396 1.00 42.33 H new ATOM 0 HB2 ARG A 33 19.681 7.379 8.245 1.00 54.31 H new ATOM 0 HB3 ARG A 33 19.360 5.750 7.685 1.00 54.31 H new ATOM 0 HG2 ARG A 33 17.156 6.129 7.829 1.00 24.11 H new ATOM 0 HG3 ARG A 33 17.304 6.381 9.557 1.00 24.11 H new ATOM 0 HD2 ARG A 33 18.247 8.782 8.621 1.00 12.25 H new ATOM 0 HD3 ARG A 33 17.104 8.375 7.357 1.00 12.25 H new ATOM 0 HE ARG A 33 15.329 8.706 8.841 1.00 34.01 H new ATOM 0 HH11 ARG A 33 18.399 8.534 10.575 1.00 25.05 H new ATOM 0 HH12 ARG A 33 17.695 9.061 12.107 1.00 25.05 H new ATOM 0 HH21 ARG A 33 14.433 9.384 10.813 1.00 75.03 H new ATOM 0 HH22 ARG A 33 15.460 9.540 12.242 1.00 75.03 H new ATOM 524 N GLY A 34 22.061 5.127 9.526 1.00 11.51 N ATOM 525 CA GLY A 34 23.100 4.158 9.231 1.00 52.35 C ATOM 526 C GLY A 34 23.652 4.310 7.827 1.00 74.22 C ATOM 527 O GLY A 34 24.273 3.390 7.294 1.00 13.54 O ATOM 0 H GLY A 34 22.400 6.055 9.780 1.00 11.51 H new ATOM 0 HA2 GLY A 34 23.911 4.269 9.951 1.00 52.35 H new ATOM 0 HA3 GLY A 34 22.700 3.152 9.354 1.00 52.35 H new ATOM 531 N ALA A 35 23.423 5.473 7.225 1.00 22.42 N ATOM 532 CA ALA A 35 23.902 5.741 5.875 1.00 3.20 C ATOM 533 C ALA A 35 24.590 7.100 5.797 1.00 52.13 C ATOM 534 O ALA A 35 23.977 8.134 6.066 1.00 74.03 O ATOM 535 CB ALA A 35 22.751 5.672 4.883 1.00 52.01 C ATOM 0 H ALA A 35 22.909 6.244 7.651 1.00 22.42 H new ATOM 0 HA ALA A 35 24.635 4.976 5.617 1.00 3.20 H new ATOM 0 HB1 ALA A 35 23.124 5.874 3.879 1.00 52.01 H new ATOM 0 HB2 ALA A 35 22.305 4.678 4.911 1.00 52.01 H new ATOM 0 HB3 ALA A 35 21.998 6.415 5.147 1.00 52.01 H new ATOM 541 N LEU A 36 25.866 7.092 5.427 1.00 32.25 N ATOM 542 CA LEU A 36 26.638 8.325 5.314 1.00 34.43 C ATOM 543 C LEU A 36 26.132 9.179 4.157 1.00 52.34 C ATOM 544 O LEU A 36 25.727 8.658 3.118 1.00 11.33 O ATOM 545 CB LEU A 36 28.120 8.005 5.117 1.00 25.13 C ATOM 546 CG LEU A 36 29.100 8.816 5.966 1.00 24.31 C ATOM 547 CD1 LEU A 36 29.024 10.291 5.607 1.00 55.42 C ATOM 548 CD2 LEU A 36 28.819 8.610 7.447 1.00 4.35 C ATOM 0 H LEU A 36 26.388 6.246 5.200 1.00 32.25 H new ATOM 0 HA LEU A 36 26.514 8.889 6.239 1.00 34.43 H new ATOM 0 HB2 LEU A 36 28.274 6.947 5.330 1.00 25.13 H new ATOM 0 HB3 LEU A 36 28.368 8.158 4.067 1.00 25.13 H new ATOM 0 HG LEU A 36 30.110 8.464 5.756 1.00 24.31 H new ATOM 0 HD11 LEU A 36 29.728 10.852 6.221 1.00 55.42 H new ATOM 0 HD12 LEU A 36 29.276 10.423 4.555 1.00 55.42 H new ATOM 0 HD13 LEU A 36 28.013 10.658 5.787 1.00 55.42 H new ATOM 0 HD21 LEU A 36 29.526 9.194 8.036 1.00 4.35 H new ATOM 0 HD22 LEU A 36 27.803 8.934 7.673 1.00 4.35 H new ATOM 0 HD23 LEU A 36 28.927 7.554 7.694 1.00 4.35 H new ATOM 560 N ASN A 37 26.160 10.495 4.343 1.00 63.04 N ATOM 561 CA ASN A 37 25.706 11.422 3.313 1.00 41.52 C ATOM 562 C ASN A 37 26.371 11.117 1.974 1.00 0.00 C ATOM 563 O ASN A 37 25.701 11.012 0.946 1.00 23.54 O ATOM 564 CB ASN A 37 26.007 12.864 3.727 1.00 11.31 C ATOM 565 CG ASN A 37 27.365 13.005 4.387 1.00 31.12 C ATOM 566 OD1 ASN A 37 28.382 13.166 3.712 1.00 32.03 O ATOM 567 ND2 ASN A 37 27.387 12.944 5.714 1.00 40.04 N ATOM 0 H ASN A 37 26.492 10.943 5.197 1.00 63.04 H new ATOM 0 HA ASN A 37 24.629 11.300 3.200 1.00 41.52 H new ATOM 0 HB2 ASN A 37 25.965 13.508 2.848 1.00 11.31 H new ATOM 0 HB3 ASN A 37 25.235 13.211 4.414 1.00 11.31 H new ATOM 0 HD21 ASN A 37 28.272 13.032 6.214 1.00 40.04 H new ATOM 0 HD22 ASN A 37 26.519 12.809 6.233 1.00 40.04 H new ATOM 574 N ASP A 38 27.692 10.976 1.994 1.00 33.34 N ATOM 575 CA ASP A 38 28.448 10.681 0.783 1.00 71.51 C ATOM 576 C ASP A 38 28.880 9.218 0.755 1.00 24.11 C ATOM 577 O ASP A 38 29.946 8.866 1.261 1.00 32.45 O ATOM 578 CB ASP A 38 29.674 11.590 0.687 1.00 21.32 C ATOM 579 CG ASP A 38 30.347 11.797 2.030 1.00 64.13 C ATOM 580 OD1 ASP A 38 30.294 10.874 2.869 1.00 74.34 O ATOM 581 OD2 ASP A 38 30.927 12.883 2.242 1.00 65.43 O ATOM 0 H ASP A 38 28.261 11.061 2.836 1.00 33.34 H new ATOM 0 HA ASP A 38 27.801 10.866 -0.074 1.00 71.51 H new ATOM 0 HB2 ASP A 38 30.390 11.157 -0.012 1.00 21.32 H new ATOM 0 HB3 ASP A 38 29.375 12.556 0.281 1.00 21.32 H new ATOM 586 N ASP A 39 28.047 8.371 0.162 1.00 54.04 N ATOM 587 CA ASP A 39 28.342 6.946 0.068 1.00 45.13 C ATOM 588 C ASP A 39 27.289 6.226 -0.769 1.00 44.51 C ATOM 589 O ASP A 39 27.602 5.297 -1.514 1.00 61.23 O ATOM 590 CB ASP A 39 28.414 6.325 1.464 1.00 41.33 C ATOM 591 CG ASP A 39 28.422 4.810 1.424 1.00 62.24 C ATOM 592 OD1 ASP A 39 29.520 4.226 1.310 1.00 73.42 O ATOM 593 OD2 ASP A 39 27.331 4.208 1.505 1.00 33.02 O ATOM 0 H ASP A 39 27.161 8.647 -0.261 1.00 54.04 H new ATOM 0 HA ASP A 39 29.309 6.832 -0.422 1.00 45.13 H new ATOM 0 HB2 ASP A 39 29.314 6.677 1.969 1.00 41.33 H new ATOM 0 HB3 ASP A 39 27.563 6.665 2.054 1.00 41.33 H new ATOM 598 N LEU A 40 26.041 6.661 -0.641 1.00 13.14 N ATOM 599 CA LEU A 40 24.940 6.058 -1.384 1.00 62.23 C ATOM 600 C LEU A 40 25.272 5.968 -2.870 1.00 71.14 C ATOM 601 O LEU A 40 25.802 6.912 -3.456 1.00 62.44 O ATOM 602 CB LEU A 40 23.659 6.869 -1.184 1.00 74.43 C ATOM 603 CG LEU A 40 22.900 6.614 0.118 1.00 34.25 C ATOM 604 CD1 LEU A 40 22.548 5.140 0.252 1.00 4.12 C ATOM 605 CD2 LEU A 40 23.719 7.079 1.313 1.00 3.11 C ATOM 0 H LEU A 40 25.766 7.429 -0.029 1.00 13.14 H new ATOM 0 HA LEU A 40 24.786 5.048 -1.003 1.00 62.23 H new ATOM 0 HB2 LEU A 40 23.912 7.928 -1.232 1.00 74.43 H new ATOM 0 HB3 LEU A 40 22.988 6.663 -2.018 1.00 74.43 H new ATOM 0 HG LEU A 40 21.973 7.187 0.093 1.00 34.25 H new ATOM 0 HD11 LEU A 40 22.008 4.978 1.185 1.00 4.12 H new ATOM 0 HD12 LEU A 40 21.921 4.838 -0.587 1.00 4.12 H new ATOM 0 HD13 LEU A 40 23.462 4.546 0.254 1.00 4.12 H new ATOM 0 HD21 LEU A 40 23.163 6.890 2.231 1.00 3.11 H new ATOM 0 HD22 LEU A 40 24.663 6.534 1.341 1.00 3.11 H new ATOM 0 HD23 LEU A 40 23.919 8.147 1.224 1.00 3.11 H new ATOM 617 N SER A 41 24.954 4.827 -3.474 1.00 41.45 N ATOM 618 CA SER A 41 25.220 4.613 -4.892 1.00 53.42 C ATOM 619 C SER A 41 23.922 4.369 -5.657 1.00 45.42 C ATOM 620 O SER A 41 23.831 4.653 -6.852 1.00 35.14 O ATOM 621 CB SER A 41 26.168 3.428 -5.082 1.00 33.31 C ATOM 622 OG SER A 41 27.434 3.690 -4.503 1.00 64.23 O ATOM 0 H SER A 41 24.512 4.037 -3.004 1.00 41.45 H new ATOM 0 HA SER A 41 25.691 5.513 -5.288 1.00 53.42 H new ATOM 0 HB2 SER A 41 25.735 2.536 -4.629 1.00 33.31 H new ATOM 0 HB3 SER A 41 26.287 3.220 -6.145 1.00 33.31 H new ATOM 0 HG SER A 41 27.430 3.406 -3.565 1.00 64.23 H new ATOM 628 N SER A 42 22.922 3.841 -4.960 1.00 12.54 N ATOM 629 CA SER A 42 21.630 3.555 -5.573 1.00 1.03 C ATOM 630 C SER A 42 20.488 3.914 -4.627 1.00 22.44 C ATOM 631 O SER A 42 20.709 4.200 -3.450 1.00 40.34 O ATOM 632 CB SER A 42 21.542 2.078 -5.960 1.00 30.53 C ATOM 633 OG SER A 42 20.287 1.778 -6.546 1.00 63.03 O ATOM 0 H SER A 42 22.981 3.602 -3.970 1.00 12.54 H new ATOM 0 HA SER A 42 21.539 4.165 -6.472 1.00 1.03 H new ATOM 0 HB2 SER A 42 22.341 1.834 -6.660 1.00 30.53 H new ATOM 0 HB3 SER A 42 21.692 1.458 -5.076 1.00 30.53 H new ATOM 0 HG SER A 42 19.876 1.026 -6.071 1.00 63.03 H new ATOM 639 N ALA A 43 19.267 3.895 -5.150 1.00 13.11 N ATOM 640 CA ALA A 43 18.089 4.216 -4.353 1.00 3.12 C ATOM 641 C ALA A 43 16.807 3.905 -5.117 1.00 62.44 C ATOM 642 O ALA A 43 16.484 4.569 -6.102 1.00 15.11 O ATOM 643 CB ALA A 43 18.116 5.680 -3.937 1.00 61.53 C ATOM 0 H ALA A 43 19.067 3.661 -6.122 1.00 13.11 H new ATOM 0 HA ALA A 43 18.107 3.595 -3.458 1.00 3.12 H new ATOM 0 HB1 ALA A 43 17.231 5.906 -3.343 1.00 61.53 H new ATOM 0 HB2 ALA A 43 19.010 5.873 -3.344 1.00 61.53 H new ATOM 0 HB3 ALA A 43 18.127 6.311 -4.826 1.00 61.53 H new ATOM 649 N ARG A 44 16.082 2.890 -4.659 1.00 13.15 N ATOM 650 CA ARG A 44 14.836 2.490 -5.301 1.00 33.30 C ATOM 651 C ARG A 44 13.633 3.071 -4.564 1.00 33.01 C ATOM 652 O ARG A 44 13.639 3.186 -3.338 1.00 54.43 O ATOM 653 CB ARG A 44 14.729 0.964 -5.350 1.00 4.44 C ATOM 654 CG ARG A 44 14.314 0.426 -6.709 1.00 23.21 C ATOM 655 CD ARG A 44 14.192 -1.090 -6.694 1.00 13.12 C ATOM 656 NE ARG A 44 13.399 -1.586 -7.815 1.00 73.03 N ATOM 657 CZ ARG A 44 13.067 -2.863 -7.973 1.00 12.41 C ATOM 658 NH1 ARG A 44 13.457 -3.767 -7.085 1.00 40.13 N ATOM 659 NH2 ARG A 44 12.343 -3.237 -9.020 1.00 14.31 N ATOM 0 H ARG A 44 16.336 2.330 -3.846 1.00 13.15 H new ATOM 0 HA ARG A 44 14.840 2.880 -6.319 1.00 33.30 H new ATOM 0 HB2 ARG A 44 15.691 0.532 -5.076 1.00 4.44 H new ATOM 0 HB3 ARG A 44 14.007 0.635 -4.602 1.00 4.44 H new ATOM 0 HG2 ARG A 44 13.360 0.866 -7.000 1.00 23.21 H new ATOM 0 HG3 ARG A 44 15.046 0.726 -7.459 1.00 23.21 H new ATOM 0 HD2 ARG A 44 15.187 -1.534 -6.729 1.00 13.12 H new ATOM 0 HD3 ARG A 44 13.734 -1.408 -5.757 1.00 13.12 H new ATOM 0 HE ARG A 44 13.082 -0.915 -8.515 1.00 73.03 H new ATOM 0 HH11 ARG A 44 14.013 -3.483 -6.278 1.00 40.13 H new ATOM 0 HH12 ARG A 44 13.201 -4.747 -7.208 1.00 40.13 H new ATOM 0 HH21 ARG A 44 12.041 -2.544 -9.705 1.00 14.31 H new ATOM 0 HH22 ARG A 44 12.089 -4.217 -9.140 1.00 14.31 H new ATOM 673 N VAL A 45 12.602 3.436 -5.320 1.00 10.13 N ATOM 674 CA VAL A 45 11.392 4.005 -4.739 1.00 34.12 C ATOM 675 C VAL A 45 10.150 3.538 -5.490 1.00 52.30 C ATOM 676 O VAL A 45 10.194 3.229 -6.681 1.00 31.22 O ATOM 677 CB VAL A 45 11.435 5.545 -4.747 1.00 60.52 C ATOM 678 CG1 VAL A 45 12.686 6.047 -4.043 1.00 40.52 C ATOM 679 CG2 VAL A 45 11.367 6.071 -6.173 1.00 3.23 C ATOM 0 H VAL A 45 12.581 3.348 -6.336 1.00 10.13 H new ATOM 0 HA VAL A 45 11.342 3.656 -3.707 1.00 34.12 H new ATOM 0 HB VAL A 45 10.567 5.920 -4.204 1.00 60.52 H new ATOM 0 HG11 VAL A 45 12.700 7.137 -4.058 1.00 40.52 H new ATOM 0 HG12 VAL A 45 12.687 5.699 -3.010 1.00 40.52 H new ATOM 0 HG13 VAL A 45 13.569 5.666 -4.555 1.00 40.52 H new ATOM 0 HG21 VAL A 45 11.398 7.160 -6.161 1.00 3.23 H new ATOM 0 HG22 VAL A 45 12.215 5.690 -6.742 1.00 3.23 H new ATOM 0 HG23 VAL A 45 10.439 5.740 -6.639 1.00 3.23 H new ATOM 689 N PRO A 46 9.013 3.486 -4.780 1.00 3.15 N ATOM 690 CA PRO A 46 7.736 3.059 -5.359 1.00 43.21 C ATOM 691 C PRO A 46 7.183 4.074 -6.354 1.00 21.11 C ATOM 692 O PRO A 46 7.736 5.161 -6.519 1.00 4.04 O ATOM 693 CB PRO A 46 6.815 2.946 -4.142 1.00 53.03 C ATOM 694 CG PRO A 46 7.400 3.875 -3.136 1.00 2.41 C ATOM 695 CD PRO A 46 8.887 3.840 -3.356 1.00 3.42 C ATOM 0 HA PRO A 46 7.834 2.132 -5.924 1.00 43.21 H new ATOM 0 HB2 PRO A 46 5.792 3.227 -4.392 1.00 53.03 H new ATOM 0 HB3 PRO A 46 6.782 1.924 -3.765 1.00 53.03 H new ATOM 0 HG2 PRO A 46 7.010 4.885 -3.264 1.00 2.41 H new ATOM 0 HG3 PRO A 46 7.148 3.562 -2.123 1.00 2.41 H new ATOM 0 HD2 PRO A 46 9.348 4.804 -3.139 1.00 3.42 H new ATOM 0 HD3 PRO A 46 9.371 3.104 -2.714 1.00 3.42 H new ATOM 703 N SER A 47 6.088 3.712 -7.014 1.00 70.34 N ATOM 704 CA SER A 47 5.462 4.590 -7.996 1.00 33.12 C ATOM 705 C SER A 47 4.631 5.669 -7.307 1.00 72.45 C ATOM 706 O SER A 47 3.804 5.375 -6.445 1.00 3.33 O ATOM 707 CB SER A 47 4.579 3.779 -8.947 1.00 11.42 C ATOM 708 OG SER A 47 5.216 3.591 -10.198 1.00 42.34 O ATOM 0 H SER A 47 5.616 2.817 -6.887 1.00 70.34 H new ATOM 0 HA SER A 47 6.252 5.075 -8.570 1.00 33.12 H new ATOM 0 HB2 SER A 47 4.353 2.810 -8.501 1.00 11.42 H new ATOM 0 HB3 SER A 47 3.629 4.292 -9.093 1.00 11.42 H new ATOM 0 HG SER A 47 4.632 3.069 -10.787 1.00 42.34 H new ATOM 714 N GLY A 48 4.857 6.920 -7.697 1.00 24.35 N ATOM 715 CA GLY A 48 4.123 8.024 -7.108 1.00 1.24 C ATOM 716 C GLY A 48 4.858 8.652 -5.940 1.00 32.34 C ATOM 717 O GLY A 48 4.241 9.050 -4.950 1.00 64.22 O ATOM 0 H GLY A 48 5.535 7.188 -8.410 1.00 24.35 H new ATOM 0 HA2 GLY A 48 3.941 8.783 -7.869 1.00 1.24 H new ATOM 0 HA3 GLY A 48 3.148 7.670 -6.772 1.00 1.24 H new ATOM 721 N LEU A 49 6.179 8.739 -6.052 1.00 15.41 N ATOM 722 CA LEU A 49 6.999 9.322 -4.996 1.00 22.33 C ATOM 723 C LEU A 49 8.021 10.295 -5.574 1.00 63.13 C ATOM 724 O LEU A 49 8.698 9.989 -6.556 1.00 25.43 O ATOM 725 CB LEU A 49 7.714 8.220 -4.212 1.00 62.52 C ATOM 726 CG LEU A 49 8.033 8.534 -2.750 1.00 41.12 C ATOM 727 CD1 LEU A 49 8.104 7.254 -1.932 1.00 2.21 C ATOM 728 CD2 LEU A 49 9.338 9.310 -2.644 1.00 14.40 C ATOM 0 H LEU A 49 6.705 8.413 -6.863 1.00 15.41 H new ATOM 0 HA LEU A 49 6.342 9.872 -4.322 1.00 22.33 H new ATOM 0 HB2 LEU A 49 7.098 7.321 -4.243 1.00 62.52 H new ATOM 0 HB3 LEU A 49 8.647 7.985 -4.724 1.00 62.52 H new ATOM 0 HG LEU A 49 7.231 9.153 -2.348 1.00 41.12 H new ATOM 0 HD11 LEU A 49 8.332 7.498 -0.894 1.00 2.21 H new ATOM 0 HD12 LEU A 49 7.146 6.737 -1.981 1.00 2.21 H new ATOM 0 HD13 LEU A 49 8.885 6.609 -2.333 1.00 2.21 H new ATOM 0 HD21 LEU A 49 9.549 9.525 -1.597 1.00 14.40 H new ATOM 0 HD22 LEU A 49 10.150 8.716 -3.064 1.00 14.40 H new ATOM 0 HD23 LEU A 49 9.251 10.246 -3.196 1.00 14.40 H new ATOM 740 N ARG A 50 8.129 11.468 -4.958 1.00 74.34 N ATOM 741 CA ARG A 50 9.069 12.485 -5.412 1.00 10.54 C ATOM 742 C ARG A 50 10.120 12.769 -4.343 1.00 24.23 C ATOM 743 O ARG A 50 9.802 12.881 -3.158 1.00 44.20 O ATOM 744 CB ARG A 50 8.326 13.775 -5.766 1.00 21.01 C ATOM 745 CG ARG A 50 9.139 14.730 -6.624 1.00 42.04 C ATOM 746 CD ARG A 50 8.265 15.446 -7.642 1.00 61.33 C ATOM 747 NE ARG A 50 8.854 16.709 -8.078 1.00 3.02 N ATOM 748 CZ ARG A 50 8.172 17.661 -8.705 1.00 31.24 C ATOM 749 NH1 ARG A 50 6.883 17.494 -8.967 1.00 62.45 N ATOM 750 NH2 ARG A 50 8.779 18.783 -9.069 1.00 54.24 N ATOM 0 H ARG A 50 7.577 11.737 -4.143 1.00 74.34 H new ATOM 0 HA ARG A 50 9.572 12.107 -6.302 1.00 10.54 H new ATOM 0 HB2 ARG A 50 7.405 13.521 -6.292 1.00 21.01 H new ATOM 0 HB3 ARG A 50 8.038 14.283 -4.845 1.00 21.01 H new ATOM 0 HG2 ARG A 50 9.632 15.464 -5.986 1.00 42.04 H new ATOM 0 HG3 ARG A 50 9.924 14.178 -7.141 1.00 42.04 H new ATOM 0 HD2 ARG A 50 8.112 14.800 -8.506 1.00 61.33 H new ATOM 0 HD3 ARG A 50 7.283 15.635 -7.208 1.00 61.33 H new ATOM 0 HE ARG A 50 9.844 16.869 -7.891 1.00 3.02 H new ATOM 0 HH11 ARG A 50 6.413 16.633 -8.687 1.00 62.45 H new ATOM 0 HH12 ARG A 50 6.361 18.226 -9.449 1.00 62.45 H new ATOM 0 HH21 ARG A 50 9.770 18.915 -8.867 1.00 54.24 H new ATOM 0 HH22 ARG A 50 8.255 19.513 -9.550 1.00 54.24 H new ATOM 764 N LEU A 51 11.374 12.883 -4.769 1.00 34.54 N ATOM 765 CA LEU A 51 12.473 13.152 -3.848 1.00 51.33 C ATOM 766 C LEU A 51 13.556 13.987 -4.524 1.00 1.12 C ATOM 767 O LEU A 51 13.688 13.977 -5.747 1.00 60.42 O ATOM 768 CB LEU A 51 13.069 11.840 -3.337 1.00 23.14 C ATOM 769 CG LEU A 51 13.420 10.801 -4.403 1.00 4.44 C ATOM 770 CD1 LEU A 51 14.900 10.453 -4.342 1.00 15.21 C ATOM 771 CD2 LEU A 51 12.569 9.552 -4.231 1.00 31.13 C ATOM 0 H LEU A 51 11.654 12.793 -5.746 1.00 34.54 H new ATOM 0 HA LEU A 51 12.078 13.717 -3.004 1.00 51.33 H new ATOM 0 HB2 LEU A 51 13.972 12.070 -2.772 1.00 23.14 H new ATOM 0 HB3 LEU A 51 12.362 11.391 -2.639 1.00 23.14 H new ATOM 0 HG LEU A 51 13.208 11.228 -5.383 1.00 4.44 H new ATOM 0 HD11 LEU A 51 15.131 9.712 -5.108 1.00 15.21 H new ATOM 0 HD12 LEU A 51 15.492 11.351 -4.515 1.00 15.21 H new ATOM 0 HD13 LEU A 51 15.138 10.046 -3.359 1.00 15.21 H new ATOM 0 HD21 LEU A 51 12.832 8.824 -4.998 1.00 31.13 H new ATOM 0 HD22 LEU A 51 12.749 9.122 -3.246 1.00 31.13 H new ATOM 0 HD23 LEU A 51 11.515 9.814 -4.326 1.00 31.13 H new ATOM 783 N GLU A 52 14.330 14.707 -3.718 1.00 11.42 N ATOM 784 CA GLU A 52 15.403 15.547 -4.239 1.00 34.43 C ATOM 785 C GLU A 52 16.688 15.344 -3.441 1.00 52.03 C ATOM 786 O GLU A 52 16.661 15.237 -2.215 1.00 73.02 O ATOM 787 CB GLU A 52 14.992 17.020 -4.200 1.00 2.13 C ATOM 788 CG GLU A 52 13.738 17.324 -5.001 1.00 73.14 C ATOM 789 CD GLU A 52 12.768 18.216 -4.251 1.00 51.44 C ATOM 790 OE1 GLU A 52 13.148 19.358 -3.917 1.00 60.24 O ATOM 791 OE2 GLU A 52 11.628 17.772 -3.999 1.00 1.51 O ATOM 0 H GLU A 52 14.234 14.726 -2.703 1.00 11.42 H new ATOM 0 HA GLU A 52 15.588 15.257 -5.273 1.00 34.43 H new ATOM 0 HB2 GLU A 52 14.831 17.316 -3.163 1.00 2.13 H new ATOM 0 HB3 GLU A 52 15.813 17.628 -4.582 1.00 2.13 H new ATOM 0 HG2 GLU A 52 14.018 17.805 -5.938 1.00 73.14 H new ATOM 0 HG3 GLU A 52 13.241 16.389 -5.259 1.00 73.14 H new ATOM 798 N VAL A 53 17.813 15.292 -4.147 1.00 21.30 N ATOM 799 CA VAL A 53 19.109 15.103 -3.506 1.00 61.54 C ATOM 800 C VAL A 53 19.825 16.434 -3.311 1.00 42.20 C ATOM 801 O VAL A 53 19.752 17.321 -4.162 1.00 5.22 O ATOM 802 CB VAL A 53 20.010 14.164 -4.330 1.00 25.51 C ATOM 803 CG1 VAL A 53 21.360 13.986 -3.650 1.00 54.21 C ATOM 804 CG2 VAL A 53 19.329 12.820 -4.539 1.00 70.33 C ATOM 0 H VAL A 53 17.853 15.378 -5.163 1.00 21.30 H new ATOM 0 HA VAL A 53 18.918 14.651 -2.533 1.00 61.54 H new ATOM 0 HB VAL A 53 20.179 14.616 -5.307 1.00 25.51 H new ATOM 0 HG11 VAL A 53 21.983 13.320 -4.247 1.00 54.21 H new ATOM 0 HG12 VAL A 53 21.851 14.955 -3.557 1.00 54.21 H new ATOM 0 HG13 VAL A 53 21.214 13.556 -2.659 1.00 54.21 H new ATOM 0 HG21 VAL A 53 19.980 12.169 -5.123 1.00 70.33 H new ATOM 0 HG22 VAL A 53 19.129 12.359 -3.572 1.00 70.33 H new ATOM 0 HG23 VAL A 53 18.390 12.967 -5.072 1.00 70.33 H new ATOM 814 N PHE A 54 20.518 16.568 -2.185 1.00 33.43 N ATOM 815 CA PHE A 54 21.248 17.792 -1.876 1.00 75.14 C ATOM 816 C PHE A 54 22.680 17.479 -1.453 1.00 51.35 C ATOM 817 O PHE A 54 22.939 17.158 -0.294 1.00 51.11 O ATOM 818 CB PHE A 54 20.535 18.570 -0.769 1.00 10.45 C ATOM 819 CG PHE A 54 19.041 18.601 -0.923 1.00 43.31 C ATOM 820 CD1 PHE A 54 18.462 19.071 -2.091 1.00 11.24 C ATOM 821 CD2 PHE A 54 18.217 18.161 0.100 1.00 54.04 C ATOM 822 CE1 PHE A 54 17.088 19.101 -2.236 1.00 73.32 C ATOM 823 CE2 PHE A 54 16.842 18.188 -0.040 1.00 71.35 C ATOM 824 CZ PHE A 54 16.277 18.659 -1.209 1.00 53.32 C ATOM 0 H PHE A 54 20.589 15.843 -1.471 1.00 33.43 H new ATOM 0 HA PHE A 54 21.280 18.404 -2.777 1.00 75.14 H new ATOM 0 HB2 PHE A 54 20.784 18.125 0.194 1.00 10.45 H new ATOM 0 HB3 PHE A 54 20.912 19.593 -0.754 1.00 10.45 H new ATOM 0 HD1 PHE A 54 19.092 19.418 -2.897 1.00 11.24 H new ATOM 0 HD2 PHE A 54 18.654 17.793 1.017 1.00 54.04 H new ATOM 0 HE1 PHE A 54 16.649 19.470 -3.151 1.00 73.32 H new ATOM 0 HE2 PHE A 54 16.210 17.841 0.764 1.00 71.35 H new ATOM 0 HZ PHE A 54 15.203 18.682 -1.320 1.00 53.32 H new ATOM 834 N GLN A 55 23.605 17.576 -2.403 1.00 22.53 N ATOM 835 CA GLN A 55 25.011 17.302 -2.129 1.00 70.20 C ATOM 836 C GLN A 55 25.496 18.100 -0.924 1.00 3.14 C ATOM 837 O GLN A 55 26.229 17.585 -0.079 1.00 30.54 O ATOM 838 CB GLN A 55 25.865 17.635 -3.354 1.00 20.24 C ATOM 839 CG GLN A 55 27.360 17.549 -3.094 1.00 64.31 C ATOM 840 CD GLN A 55 27.996 18.909 -2.888 1.00 43.41 C ATOM 841 OE1 GLN A 55 27.325 19.870 -2.510 1.00 43.23 O ATOM 842 NE2 GLN A 55 29.298 18.998 -3.136 1.00 12.53 N ATOM 0 H GLN A 55 23.407 17.842 -3.368 1.00 22.53 H new ATOM 0 HA GLN A 55 25.111 16.240 -1.903 1.00 70.20 H new ATOM 0 HB2 GLN A 55 25.606 16.953 -4.164 1.00 20.24 H new ATOM 0 HB3 GLN A 55 25.621 18.641 -3.694 1.00 20.24 H new ATOM 0 HG2 GLN A 55 27.537 16.932 -2.213 1.00 64.31 H new ATOM 0 HG3 GLN A 55 27.843 17.050 -3.934 1.00 64.31 H new ATOM 0 HE21 GLN A 55 29.815 18.176 -3.448 1.00 12.53 H new ATOM 0 HE22 GLN A 55 29.781 19.888 -3.015 1.00 12.53 H new ATOM 851 N HIS A 56 25.084 19.362 -0.850 1.00 73.42 N ATOM 852 CA HIS A 56 25.477 20.232 0.253 1.00 75.44 C ATOM 853 C HIS A 56 24.334 20.394 1.250 1.00 14.11 C ATOM 854 O HIS A 56 23.216 19.942 1.006 1.00 15.53 O ATOM 855 CB HIS A 56 25.905 21.600 -0.277 1.00 52.34 C ATOM 856 CG HIS A 56 27.386 21.819 -0.244 1.00 21.05 C ATOM 857 ND1 HIS A 56 28.176 21.458 0.828 1.00 52.42 N ATOM 858 CD2 HIS A 56 28.222 22.364 -1.159 1.00 32.45 C ATOM 859 CE1 HIS A 56 29.433 21.773 0.571 1.00 12.31 C ATOM 860 NE2 HIS A 56 29.488 22.324 -0.628 1.00 71.34 N ATOM 0 H HIS A 56 24.478 19.805 -1.541 1.00 73.42 H new ATOM 0 HA HIS A 56 26.320 19.770 0.766 1.00 75.44 H new ATOM 0 HB2 HIS A 56 25.553 21.709 -1.303 1.00 52.34 H new ATOM 0 HB3 HIS A 56 25.418 22.377 0.312 1.00 52.34 H new ATOM 0 HD2 HIS A 56 27.945 22.757 -2.126 1.00 32.45 H new ATOM 0 HE1 HIS A 56 30.273 21.608 1.230 1.00 12.31 H new ATOM 0 HE2 HIS A 56 30.334 22.665 -1.085 1.00 71.34 H new ATOM 868 N ASN A 57 24.623 21.041 2.374 1.00 1.23 N ATOM 869 CA ASN A 57 23.620 21.262 3.409 1.00 33.14 C ATOM 870 C ASN A 57 23.054 22.676 3.326 1.00 54.25 C ATOM 871 O ASN A 57 23.597 23.533 2.629 1.00 35.50 O ATOM 872 CB ASN A 57 24.225 21.024 4.794 1.00 33.14 C ATOM 873 CG ASN A 57 25.383 21.958 5.087 1.00 21.35 C ATOM 874 OD1 ASN A 57 25.184 23.115 5.457 1.00 31.13 O ATOM 875 ND2 ASN A 57 26.602 21.457 4.923 1.00 42.52 N ATOM 0 H ASN A 57 25.544 21.422 2.591 1.00 1.23 H new ATOM 0 HA ASN A 57 22.807 20.554 3.248 1.00 33.14 H new ATOM 0 HB2 ASN A 57 23.453 21.157 5.552 1.00 33.14 H new ATOM 0 HB3 ASN A 57 24.567 19.992 4.865 1.00 33.14 H new ATOM 0 HD21 ASN A 57 27.421 22.037 5.106 1.00 42.52 H new ATOM 0 HD22 ASN A 57 26.719 20.492 4.615 1.00 42.52 H new ATOM 882 N ASN A 58 21.959 22.913 4.041 1.00 31.12 N ATOM 883 CA ASN A 58 21.319 24.223 4.048 1.00 12.31 C ATOM 884 C ASN A 58 20.805 24.585 2.658 1.00 73.21 C ATOM 885 O ASN A 58 20.621 25.759 2.338 1.00 10.51 O ATOM 886 CB ASN A 58 22.301 25.291 4.535 1.00 53.15 C ATOM 887 CG ASN A 58 21.623 26.363 5.366 1.00 45.51 C ATOM 888 OD1 ASN A 58 21.738 26.379 6.592 1.00 71.14 O ATOM 889 ND2 ASN A 58 20.913 27.267 4.701 1.00 70.12 N ATOM 0 H ASN A 58 21.496 22.215 4.623 1.00 31.12 H new ATOM 0 HA ASN A 58 20.470 24.181 4.730 1.00 12.31 H new ATOM 0 HB2 ASN A 58 23.085 24.818 5.127 1.00 53.15 H new ATOM 0 HB3 ASN A 58 22.786 25.754 3.676 1.00 53.15 H new ATOM 0 HD21 ASN A 58 20.436 28.013 5.207 1.00 70.12 H new ATOM 0 HD22 ASN A 58 20.845 27.215 3.685 1.00 70.12 H new ATOM 896 N PHE A 59 20.574 23.567 1.835 1.00 34.13 N ATOM 897 CA PHE A 59 20.081 23.777 0.479 1.00 72.20 C ATOM 898 C PHE A 59 20.947 24.790 -0.264 1.00 13.34 C ATOM 899 O PHE A 59 20.449 25.793 -0.776 1.00 75.11 O ATOM 900 CB PHE A 59 18.628 24.256 0.510 1.00 60.21 C ATOM 901 CG PHE A 59 17.631 23.139 0.626 1.00 72.42 C ATOM 902 CD1 PHE A 59 17.564 22.369 1.776 1.00 60.52 C ATOM 903 CD2 PHE A 59 16.760 22.859 -0.415 1.00 31.22 C ATOM 904 CE1 PHE A 59 16.648 21.339 1.885 1.00 51.54 C ATOM 905 CE2 PHE A 59 15.841 21.831 -0.312 1.00 2.24 C ATOM 906 CZ PHE A 59 15.785 21.071 0.840 1.00 14.32 C ATOM 0 H PHE A 59 20.720 22.589 2.084 1.00 34.13 H new ATOM 0 HA PHE A 59 20.131 22.825 -0.050 1.00 72.20 H new ATOM 0 HB2 PHE A 59 18.497 24.938 1.350 1.00 60.21 H new ATOM 0 HB3 PHE A 59 18.422 24.824 -0.397 1.00 60.21 H new ATOM 0 HD1 PHE A 59 18.235 22.576 2.597 1.00 60.52 H new ATOM 0 HD2 PHE A 59 16.800 23.451 -1.318 1.00 31.22 H new ATOM 0 HE1 PHE A 59 16.607 20.745 2.786 1.00 51.54 H new ATOM 0 HE2 PHE A 59 15.168 21.623 -1.131 1.00 2.24 H new ATOM 0 HZ PHE A 59 15.067 20.268 0.924 1.00 14.32 H new ATOM 916 N LYS A 60 22.247 24.522 -0.317 1.00 11.11 N ATOM 917 CA LYS A 60 23.184 25.408 -0.996 1.00 43.45 C ATOM 918 C LYS A 60 23.548 24.863 -2.374 1.00 14.11 C ATOM 919 O LYS A 60 23.085 25.370 -3.395 1.00 12.12 O ATOM 920 CB LYS A 60 24.451 25.586 -0.156 1.00 71.01 C ATOM 921 CG LYS A 60 25.541 26.376 -0.859 1.00 2.22 C ATOM 922 CD LYS A 60 26.721 25.492 -1.228 1.00 53.31 C ATOM 923 CE LYS A 60 28.033 26.259 -1.166 1.00 32.04 C ATOM 924 NZ LYS A 60 28.677 26.148 0.173 1.00 52.14 N ATOM 0 H LYS A 60 22.676 23.697 0.103 1.00 11.11 H new ATOM 0 HA LYS A 60 22.701 26.377 -1.123 1.00 43.45 H new ATOM 0 HB2 LYS A 60 24.192 26.090 0.775 1.00 71.01 H new ATOM 0 HB3 LYS A 60 24.841 24.604 0.111 1.00 71.01 H new ATOM 0 HG2 LYS A 60 25.135 26.836 -1.760 1.00 2.22 H new ATOM 0 HG3 LYS A 60 25.880 27.185 -0.212 1.00 2.22 H new ATOM 0 HD2 LYS A 60 26.764 24.640 -0.550 1.00 53.31 H new ATOM 0 HD3 LYS A 60 26.578 25.094 -2.232 1.00 53.31 H new ATOM 0 HE2 LYS A 60 28.713 25.879 -1.929 1.00 32.04 H new ATOM 0 HE3 LYS A 60 27.851 27.309 -1.396 1.00 32.04 H new ATOM 0 HZ1 LYS A 60 29.568 26.684 0.175 1.00 52.14 H new ATOM 0 HZ2 LYS A 60 28.039 26.534 0.898 1.00 52.14 H new ATOM 0 HZ3 LYS A 60 28.874 25.148 0.382 1.00 52.14 H new ATOM 938 N GLY A 61 24.379 23.825 -2.394 1.00 54.24 N ATOM 939 CA GLY A 61 24.788 23.228 -3.652 1.00 24.22 C ATOM 940 C GLY A 61 23.609 22.809 -4.506 1.00 73.24 C ATOM 941 O GLY A 61 22.470 22.788 -4.039 1.00 21.04 O ATOM 0 H GLY A 61 24.776 23.387 -1.562 1.00 54.24 H new ATOM 0 HA2 GLY A 61 25.399 23.940 -4.207 1.00 24.22 H new ATOM 0 HA3 GLY A 61 25.414 22.359 -3.451 1.00 24.22 H new ATOM 945 N VAL A 62 23.880 22.475 -5.764 1.00 52.43 N ATOM 946 CA VAL A 62 22.832 22.056 -6.687 1.00 33.52 C ATOM 947 C VAL A 62 21.996 20.927 -6.093 1.00 25.12 C ATOM 948 O VAL A 62 22.496 20.114 -5.315 1.00 45.01 O ATOM 949 CB VAL A 62 23.421 21.590 -8.032 1.00 10.34 C ATOM 950 CG1 VAL A 62 24.255 22.696 -8.660 1.00 63.23 C ATOM 951 CG2 VAL A 62 24.249 20.328 -7.842 1.00 1.41 C ATOM 0 H VAL A 62 24.817 22.487 -6.167 1.00 52.43 H new ATOM 0 HA VAL A 62 22.196 22.924 -6.859 1.00 33.52 H new ATOM 0 HB VAL A 62 22.599 21.358 -8.709 1.00 10.34 H new ATOM 0 HG11 VAL A 62 24.663 22.349 -9.609 1.00 63.23 H new ATOM 0 HG12 VAL A 62 23.628 23.571 -8.832 1.00 63.23 H new ATOM 0 HG13 VAL A 62 25.072 22.961 -7.989 1.00 63.23 H new ATOM 0 HG21 VAL A 62 24.657 20.013 -8.802 1.00 1.41 H new ATOM 0 HG22 VAL A 62 25.066 20.530 -7.149 1.00 1.41 H new ATOM 0 HG23 VAL A 62 23.618 19.536 -7.439 1.00 1.41 H new ATOM 961 N ARG A 63 20.721 20.883 -6.465 1.00 23.12 N ATOM 962 CA ARG A 63 19.816 19.854 -5.968 1.00 73.02 C ATOM 963 C ARG A 63 19.318 18.971 -7.109 1.00 24.22 C ATOM 964 O ARG A 63 19.088 19.447 -8.221 1.00 31.24 O ATOM 965 CB ARG A 63 18.627 20.495 -5.249 1.00 71.44 C ATOM 966 CG ARG A 63 17.800 21.410 -6.137 1.00 11.20 C ATOM 967 CD ARG A 63 16.671 22.068 -5.360 1.00 13.53 C ATOM 968 NE ARG A 63 16.143 23.243 -6.050 1.00 22.43 N ATOM 969 CZ ARG A 63 15.063 23.906 -5.651 1.00 65.21 C ATOM 970 NH1 ARG A 63 14.400 23.513 -4.572 1.00 65.43 N ATOM 971 NH2 ARG A 63 14.645 24.965 -6.332 1.00 2.33 N ATOM 0 H ARG A 63 20.292 21.548 -7.109 1.00 23.12 H new ATOM 0 HA ARG A 63 20.366 19.231 -5.263 1.00 73.02 H new ATOM 0 HB2 ARG A 63 17.985 19.708 -4.854 1.00 71.44 H new ATOM 0 HB3 ARG A 63 18.994 21.065 -4.395 1.00 71.44 H new ATOM 0 HG2 ARG A 63 18.442 22.178 -6.568 1.00 11.20 H new ATOM 0 HG3 ARG A 63 17.386 20.837 -6.967 1.00 11.20 H new ATOM 0 HD2 ARG A 63 15.868 21.347 -5.206 1.00 13.53 H new ATOM 0 HD3 ARG A 63 17.031 22.359 -4.373 1.00 13.53 H new ATOM 0 HE ARG A 63 16.630 23.572 -6.883 1.00 22.43 H new ATOM 0 HH11 ARG A 63 14.719 22.700 -4.046 1.00 65.43 H new ATOM 0 HH12 ARG A 63 13.571 24.024 -4.268 1.00 65.43 H new ATOM 0 HH21 ARG A 63 15.153 25.270 -7.162 1.00 2.33 H new ATOM 0 HH22 ARG A 63 13.816 25.474 -6.025 1.00 2.33 H new ATOM 985 N ASP A 64 19.156 17.683 -6.825 1.00 51.24 N ATOM 986 CA ASP A 64 18.686 16.733 -7.827 1.00 14.31 C ATOM 987 C ASP A 64 17.230 16.353 -7.574 1.00 0.10 C ATOM 988 O ASP A 64 16.617 16.809 -6.608 1.00 63.31 O ATOM 989 CB ASP A 64 19.561 15.479 -7.822 1.00 43.34 C ATOM 990 CG ASP A 64 19.658 14.836 -9.192 1.00 22.13 C ATOM 991 OD1 ASP A 64 18.752 14.053 -9.545 1.00 72.41 O ATOM 992 OD2 ASP A 64 20.640 15.116 -9.910 1.00 40.33 O ATOM 0 H ASP A 64 19.343 17.273 -5.910 1.00 51.24 H new ATOM 0 HA ASP A 64 18.754 17.210 -8.805 1.00 14.31 H new ATOM 0 HB2 ASP A 64 20.561 15.738 -7.474 1.00 43.34 H new ATOM 0 HB3 ASP A 64 19.154 14.758 -7.113 1.00 43.34 H new ATOM 997 N PHE A 65 16.682 15.516 -8.449 1.00 13.51 N ATOM 998 CA PHE A 65 15.297 15.077 -8.322 1.00 22.43 C ATOM 999 C PHE A 65 15.100 13.708 -8.967 1.00 21.22 C ATOM 1000 O PHE A 65 15.303 13.541 -10.170 1.00 0.33 O ATOM 1001 CB PHE A 65 14.355 16.096 -8.964 1.00 52.35 C ATOM 1002 CG PHE A 65 14.650 16.355 -10.414 1.00 42.12 C ATOM 1003 CD1 PHE A 65 15.683 17.201 -10.784 1.00 41.21 C ATOM 1004 CD2 PHE A 65 13.895 15.752 -11.407 1.00 54.51 C ATOM 1005 CE1 PHE A 65 15.958 17.441 -12.117 1.00 51.23 C ATOM 1006 CE2 PHE A 65 14.165 15.988 -12.742 1.00 10.42 C ATOM 1007 CZ PHE A 65 15.197 16.835 -13.097 1.00 61.33 C ATOM 0 H PHE A 65 17.175 15.128 -9.253 1.00 13.51 H new ATOM 0 HA PHE A 65 15.063 14.997 -7.260 1.00 22.43 H new ATOM 0 HB2 PHE A 65 13.329 15.741 -8.868 1.00 52.35 H new ATOM 0 HB3 PHE A 65 14.420 17.035 -8.415 1.00 52.35 H new ATOM 0 HD1 PHE A 65 16.280 17.679 -10.022 1.00 41.21 H new ATOM 0 HD2 PHE A 65 13.086 15.090 -11.135 1.00 54.51 H new ATOM 0 HE1 PHE A 65 16.767 18.102 -12.392 1.00 51.23 H new ATOM 0 HE2 PHE A 65 13.570 15.511 -13.507 1.00 10.42 H new ATOM 0 HZ PHE A 65 15.408 17.023 -14.139 1.00 61.33 H new ATOM 1017 N TYR A 66 14.704 12.731 -8.158 1.00 50.22 N ATOM 1018 CA TYR A 66 14.482 11.376 -8.648 1.00 41.02 C ATOM 1019 C TYR A 66 13.047 10.929 -8.384 1.00 4.21 C ATOM 1020 O TYR A 66 12.280 11.624 -7.716 1.00 64.13 O ATOM 1021 CB TYR A 66 15.461 10.405 -7.985 1.00 73.05 C ATOM 1022 CG TYR A 66 16.512 9.866 -8.929 1.00 51.34 C ATOM 1023 CD1 TYR A 66 16.154 9.132 -10.053 1.00 62.21 C ATOM 1024 CD2 TYR A 66 17.863 10.093 -8.698 1.00 21.12 C ATOM 1025 CE1 TYR A 66 17.111 8.637 -10.918 1.00 4.24 C ATOM 1026 CE2 TYR A 66 18.827 9.603 -9.558 1.00 2.43 C ATOM 1027 CZ TYR A 66 18.446 8.876 -10.666 1.00 24.21 C ATOM 1028 OH TYR A 66 19.403 8.386 -11.525 1.00 72.04 O ATOM 0 H TYR A 66 14.530 12.852 -7.160 1.00 50.22 H new ATOM 0 HA TYR A 66 14.651 11.374 -9.725 1.00 41.02 H new ATOM 0 HB2 TYR A 66 15.955 10.910 -7.155 1.00 73.05 H new ATOM 0 HB3 TYR A 66 14.902 9.570 -7.562 1.00 73.05 H new ATOM 0 HD1 TYR A 66 15.109 8.945 -10.254 1.00 62.21 H new ATOM 0 HD2 TYR A 66 18.165 10.662 -7.831 1.00 21.12 H new ATOM 0 HE1 TYR A 66 16.816 8.066 -11.786 1.00 4.24 H new ATOM 0 HE2 TYR A 66 19.873 9.788 -9.364 1.00 2.43 H new ATOM 0 HH TYR A 66 20.293 8.643 -11.205 1.00 72.04 H new ATOM 1038 N THR A 67 12.691 9.763 -8.913 1.00 31.33 N ATOM 1039 CA THR A 67 11.349 9.221 -8.736 1.00 3.43 C ATOM 1040 C THR A 67 11.239 7.821 -9.327 1.00 22.43 C ATOM 1041 O THR A 67 10.181 7.423 -9.813 1.00 54.44 O ATOM 1042 CB THR A 67 10.288 10.127 -9.389 1.00 33.35 C ATOM 1043 OG1 THR A 67 8.977 9.618 -9.117 1.00 52.44 O ATOM 1044 CG2 THR A 67 10.502 10.215 -10.892 1.00 61.40 C ATOM 0 H THR A 67 13.313 9.175 -9.468 1.00 31.33 H new ATOM 0 HA THR A 67 11.166 9.174 -7.663 1.00 3.43 H new ATOM 0 HB THR A 67 10.385 11.127 -8.966 1.00 33.35 H new ATOM 0 HG1 THR A 67 8.864 9.506 -8.150 1.00 52.44 H new ATOM 0 HG21 THR A 67 9.741 10.860 -11.331 1.00 61.40 H new ATOM 0 HG22 THR A 67 11.490 10.629 -11.095 1.00 61.40 H new ATOM 0 HG23 THR A 67 10.429 9.219 -11.329 1.00 61.40 H new ATOM 1052 N SER A 68 12.339 7.076 -9.281 1.00 21.35 N ATOM 1053 CA SER A 68 12.366 5.719 -9.815 1.00 4.13 C ATOM 1054 C SER A 68 13.676 5.021 -9.458 1.00 55.33 C ATOM 1055 O SER A 68 14.593 5.638 -8.916 1.00 71.21 O ATOM 1056 CB SER A 68 12.185 5.743 -11.334 1.00 20.44 C ATOM 1057 OG SER A 68 10.977 5.106 -11.713 1.00 24.41 O ATOM 0 H SER A 68 13.223 7.389 -8.880 1.00 21.35 H new ATOM 0 HA SER A 68 11.543 5.161 -9.367 1.00 4.13 H new ATOM 0 HB2 SER A 68 12.182 6.774 -11.687 1.00 20.44 H new ATOM 0 HB3 SER A 68 13.028 5.245 -11.812 1.00 20.44 H new ATOM 0 HG SER A 68 10.224 5.535 -11.257 1.00 24.41 H new ATOM 1063 N ASP A 69 13.754 3.732 -9.767 1.00 31.42 N ATOM 1064 CA ASP A 69 14.950 2.948 -9.481 1.00 3.33 C ATOM 1065 C ASP A 69 16.195 3.637 -10.031 1.00 62.14 C ATOM 1066 O ASP A 69 16.391 3.709 -11.244 1.00 42.41 O ATOM 1067 CB ASP A 69 14.822 1.546 -10.077 1.00 22.30 C ATOM 1068 CG ASP A 69 14.568 1.573 -11.571 1.00 61.13 C ATOM 1069 OD1 ASP A 69 13.400 1.760 -11.972 1.00 12.45 O ATOM 1070 OD2 ASP A 69 15.537 1.408 -12.341 1.00 24.53 O ATOM 0 H ASP A 69 13.003 3.207 -10.216 1.00 31.42 H new ATOM 0 HA ASP A 69 15.050 2.865 -8.399 1.00 3.33 H new ATOM 0 HB2 ASP A 69 15.735 0.985 -9.877 1.00 22.30 H new ATOM 0 HB3 ASP A 69 14.007 1.017 -9.582 1.00 22.30 H new ATOM 1075 N ALA A 70 17.033 4.142 -9.132 1.00 12.04 N ATOM 1076 CA ALA A 70 18.259 4.824 -9.527 1.00 72.13 C ATOM 1077 C ALA A 70 19.489 4.004 -9.152 1.00 74.12 C ATOM 1078 O ALA A 70 19.842 3.900 -7.978 1.00 61.51 O ATOM 1079 CB ALA A 70 18.326 6.203 -8.887 1.00 70.43 C ATOM 0 H ALA A 70 16.885 4.092 -8.124 1.00 12.04 H new ATOM 0 HA ALA A 70 18.248 4.939 -10.611 1.00 72.13 H new ATOM 0 HB1 ALA A 70 19.247 6.701 -9.191 1.00 70.43 H new ATOM 0 HB2 ALA A 70 17.470 6.796 -9.209 1.00 70.43 H new ATOM 0 HB3 ALA A 70 18.309 6.102 -7.802 1.00 70.43 H new ATOM 1085 N ALA A 71 20.136 3.423 -10.157 1.00 50.32 N ATOM 1086 CA ALA A 71 21.327 2.614 -9.932 1.00 60.33 C ATOM 1087 C ALA A 71 22.516 3.484 -9.540 1.00 63.22 C ATOM 1088 O ALA A 71 23.426 3.031 -8.846 1.00 73.21 O ATOM 1089 CB ALA A 71 21.654 1.799 -11.175 1.00 74.11 C ATOM 0 H ALA A 71 19.855 3.498 -11.135 1.00 50.32 H new ATOM 0 HA ALA A 71 21.122 1.932 -9.107 1.00 60.33 H new ATOM 0 HB1 ALA A 71 22.546 1.199 -10.993 1.00 74.11 H new ATOM 0 HB2 ALA A 71 20.817 1.142 -11.410 1.00 74.11 H new ATOM 0 HB3 ALA A 71 21.834 2.471 -12.014 1.00 74.11 H new ATOM 1095 N GLU A 72 22.503 4.735 -9.990 1.00 75.32 N ATOM 1096 CA GLU A 72 23.582 5.667 -9.687 1.00 31.13 C ATOM 1097 C GLU A 72 23.041 6.924 -9.011 1.00 23.21 C ATOM 1098 O GLU A 72 22.193 7.625 -9.565 1.00 64.31 O ATOM 1099 CB GLU A 72 24.334 6.045 -10.965 1.00 33.14 C ATOM 1100 CG GLU A 72 25.810 5.686 -10.931 1.00 52.02 C ATOM 1101 CD GLU A 72 26.696 6.818 -11.414 1.00 24.43 C ATOM 1102 OE1 GLU A 72 27.021 7.706 -10.599 1.00 3.31 O ATOM 1103 OE2 GLU A 72 27.066 6.814 -12.607 1.00 35.22 O ATOM 0 H GLU A 72 21.757 5.126 -10.566 1.00 75.32 H new ATOM 0 HA GLU A 72 24.271 5.174 -9.001 1.00 31.13 H new ATOM 0 HB2 GLU A 72 23.866 5.545 -11.813 1.00 33.14 H new ATOM 0 HB3 GLU A 72 24.233 7.117 -11.132 1.00 33.14 H new ATOM 0 HG2 GLU A 72 26.092 5.418 -9.913 1.00 52.02 H new ATOM 0 HG3 GLU A 72 25.981 4.806 -11.551 1.00 52.02 H new ATOM 1110 N LEU A 73 23.537 7.203 -7.810 1.00 62.45 N ATOM 1111 CA LEU A 73 23.105 8.375 -7.057 1.00 75.43 C ATOM 1112 C LEU A 73 23.373 9.655 -7.841 1.00 42.31 C ATOM 1113 O LEU A 73 24.304 9.720 -8.644 1.00 72.32 O ATOM 1114 CB LEU A 73 23.821 8.430 -5.707 1.00 15.14 C ATOM 1115 CG LEU A 73 22.950 8.180 -4.475 1.00 20.43 C ATOM 1116 CD1 LEU A 73 22.072 9.388 -4.187 1.00 22.42 C ATOM 1117 CD2 LEU A 73 22.099 6.933 -4.668 1.00 14.22 C ATOM 0 H LEU A 73 24.239 6.633 -7.337 1.00 62.45 H new ATOM 0 HA LEU A 73 22.031 8.293 -6.888 1.00 75.43 H new ATOM 0 HB2 LEU A 73 24.625 7.694 -5.714 1.00 15.14 H new ATOM 0 HB3 LEU A 73 24.287 9.410 -5.605 1.00 15.14 H new ATOM 0 HG LEU A 73 23.604 8.020 -3.618 1.00 20.43 H new ATOM 0 HD11 LEU A 73 21.460 9.191 -3.307 1.00 22.42 H new ATOM 0 HD12 LEU A 73 22.701 10.259 -4.004 1.00 22.42 H new ATOM 0 HD13 LEU A 73 21.426 9.580 -5.043 1.00 22.42 H new ATOM 0 HD21 LEU A 73 21.486 6.770 -3.782 1.00 14.22 H new ATOM 0 HD22 LEU A 73 21.454 7.064 -5.537 1.00 14.22 H new ATOM 0 HD23 LEU A 73 22.747 6.071 -4.824 1.00 14.22 H new ATOM 1129 N SER A 74 22.553 10.673 -7.601 1.00 0.25 N ATOM 1130 CA SER A 74 22.701 11.952 -8.285 1.00 50.30 C ATOM 1131 C SER A 74 24.133 12.467 -8.172 1.00 32.34 C ATOM 1132 O SER A 74 24.638 13.134 -9.075 1.00 32.42 O ATOM 1133 CB SER A 74 21.730 12.981 -7.703 1.00 53.44 C ATOM 1134 OG SER A 74 20.391 12.524 -7.788 1.00 22.13 O ATOM 0 H SER A 74 21.779 10.637 -6.938 1.00 0.25 H new ATOM 0 HA SER A 74 22.470 11.800 -9.339 1.00 50.30 H new ATOM 0 HB2 SER A 74 21.985 13.178 -6.662 1.00 53.44 H new ATOM 0 HB3 SER A 74 21.830 13.924 -8.240 1.00 53.44 H new ATOM 0 HG SER A 74 20.207 12.219 -8.701 1.00 22.13 H new ATOM 1140 N ARG A 75 24.781 12.152 -7.055 1.00 63.52 N ATOM 1141 CA ARG A 75 26.154 12.582 -6.822 1.00 5.32 C ATOM 1142 C ARG A 75 26.959 11.484 -6.133 1.00 1.03 C ATOM 1143 O ARG A 75 26.754 11.198 -4.953 1.00 71.41 O ATOM 1144 CB ARG A 75 26.175 13.854 -5.972 1.00 1.02 C ATOM 1145 CG ARG A 75 25.746 15.100 -6.729 1.00 65.04 C ATOM 1146 CD ARG A 75 26.736 15.451 -7.830 1.00 33.32 C ATOM 1147 NE ARG A 75 26.800 16.890 -8.069 1.00 64.14 N ATOM 1148 CZ ARG A 75 27.652 17.456 -8.917 1.00 53.24 C ATOM 1149 NH1 ARG A 75 28.505 16.709 -9.603 1.00 62.34 N ATOM 1150 NH2 ARG A 75 27.650 18.773 -9.081 1.00 52.00 N ATOM 0 H ARG A 75 24.377 11.601 -6.298 1.00 63.52 H new ATOM 0 HA ARG A 75 26.611 12.791 -7.789 1.00 5.32 H new ATOM 0 HB2 ARG A 75 25.519 13.717 -5.113 1.00 1.02 H new ATOM 0 HB3 ARG A 75 27.182 14.004 -5.583 1.00 1.02 H new ATOM 0 HG2 ARG A 75 24.759 14.942 -7.163 1.00 65.04 H new ATOM 0 HG3 ARG A 75 25.659 15.937 -6.036 1.00 65.04 H new ATOM 0 HD2 ARG A 75 27.726 15.084 -7.558 1.00 33.32 H new ATOM 0 HD3 ARG A 75 26.450 14.943 -8.751 1.00 33.32 H new ATOM 0 HE ARG A 75 26.156 17.493 -7.557 1.00 64.14 H new ATOM 0 HH11 ARG A 75 28.509 15.696 -9.481 1.00 62.34 H new ATOM 0 HH12 ARG A 75 29.158 17.147 -10.253 1.00 62.34 H new ATOM 0 HH21 ARG A 75 26.994 19.351 -8.556 1.00 52.00 H new ATOM 0 HH22 ARG A 75 28.304 19.207 -9.732 1.00 52.00 H new ATOM 1164 N ASP A 76 27.874 10.873 -6.877 1.00 21.21 N ATOM 1165 CA ASP A 76 28.710 9.806 -6.338 1.00 41.40 C ATOM 1166 C ASP A 76 29.411 10.258 -5.060 1.00 54.13 C ATOM 1167 O ASP A 76 30.260 11.147 -5.088 1.00 4.10 O ATOM 1168 CB ASP A 76 29.746 9.368 -7.375 1.00 12.14 C ATOM 1169 CG ASP A 76 30.377 10.543 -8.095 1.00 52.23 C ATOM 1170 OD1 ASP A 76 29.695 11.153 -8.946 1.00 5.31 O ATOM 1171 OD2 ASP A 76 31.552 10.853 -7.808 1.00 53.30 O ATOM 0 H ASP A 76 28.056 11.098 -7.855 1.00 21.21 H new ATOM 0 HA ASP A 76 28.067 8.959 -6.098 1.00 41.40 H new ATOM 0 HB2 ASP A 76 30.525 8.786 -6.882 1.00 12.14 H new ATOM 0 HB3 ASP A 76 29.271 8.712 -8.104 1.00 12.14 H new ATOM 1176 N ASN A 77 29.046 9.640 -3.942 1.00 25.44 N ATOM 1177 CA ASN A 77 29.639 9.979 -2.653 1.00 11.40 C ATOM 1178 C ASN A 77 29.569 11.483 -2.402 1.00 21.44 C ATOM 1179 O ASN A 77 30.594 12.140 -2.220 1.00 11.12 O ATOM 1180 CB ASN A 77 31.094 9.509 -2.597 1.00 34.41 C ATOM 1181 CG ASN A 77 31.210 8.019 -2.334 1.00 54.54 C ATOM 1182 OD1 ASN A 77 30.741 7.200 -3.125 1.00 3.11 O ATOM 1183 ND2 ASN A 77 31.836 7.663 -1.219 1.00 70.41 N ATOM 0 H ASN A 77 28.343 8.902 -3.902 1.00 25.44 H new ATOM 0 HA ASN A 77 29.070 9.471 -1.874 1.00 11.40 H new ATOM 0 HB2 ASN A 77 31.587 9.748 -3.539 1.00 34.41 H new ATOM 0 HB3 ASN A 77 31.620 10.056 -1.814 1.00 34.41 H new ATOM 0 HD21 ASN A 77 31.944 6.675 -0.988 1.00 70.41 H new ATOM 0 HD22 ASN A 77 32.209 8.377 -0.593 1.00 70.41 H new ATOM 1190 N ASP A 78 28.354 12.019 -2.392 1.00 40.32 N ATOM 1191 CA ASP A 78 28.150 13.445 -2.161 1.00 74.34 C ATOM 1192 C ASP A 78 26.665 13.765 -2.022 1.00 54.10 C ATOM 1193 O ASP A 78 26.041 14.280 -2.950 1.00 30.34 O ATOM 1194 CB ASP A 78 28.755 14.260 -3.305 1.00 11.31 C ATOM 1195 CG ASP A 78 30.132 14.798 -2.967 1.00 73.42 C ATOM 1196 OD1 ASP A 78 30.279 15.423 -1.896 1.00 54.22 O ATOM 1197 OD2 ASP A 78 31.063 14.592 -3.774 1.00 34.25 O ATOM 0 H ASP A 78 27.496 11.489 -2.541 1.00 40.32 H new ATOM 0 HA ASP A 78 28.650 13.713 -1.230 1.00 74.34 H new ATOM 0 HB2 ASP A 78 28.820 13.636 -4.197 1.00 11.31 H new ATOM 0 HB3 ASP A 78 28.092 15.091 -3.545 1.00 11.31 H new ATOM 1202 N ALA A 79 26.105 13.456 -0.857 1.00 74.01 N ATOM 1203 CA ALA A 79 24.694 13.712 -0.596 1.00 75.21 C ATOM 1204 C ALA A 79 24.472 14.140 0.850 1.00 13.44 C ATOM 1205 O ALA A 79 24.015 13.352 1.678 1.00 4.24 O ATOM 1206 CB ALA A 79 23.865 12.476 -0.915 1.00 43.03 C ATOM 0 H ALA A 79 26.607 13.028 -0.079 1.00 74.01 H new ATOM 0 HA ALA A 79 24.373 14.529 -1.243 1.00 75.21 H new ATOM 0 HB1 ALA A 79 22.813 12.682 -0.715 1.00 43.03 H new ATOM 0 HB2 ALA A 79 23.991 12.215 -1.966 1.00 43.03 H new ATOM 0 HB3 ALA A 79 24.197 11.645 -0.293 1.00 43.03 H new ATOM 1212 N SER A 80 24.798 15.394 1.148 1.00 3.10 N ATOM 1213 CA SER A 80 24.639 15.926 2.496 1.00 13.03 C ATOM 1214 C SER A 80 23.226 15.676 3.016 1.00 62.35 C ATOM 1215 O SER A 80 23.025 14.902 3.951 1.00 30.42 O ATOM 1216 CB SER A 80 24.943 17.425 2.515 1.00 10.32 C ATOM 1217 OG SER A 80 26.333 17.662 2.654 1.00 63.20 O ATOM 0 H SER A 80 25.174 16.060 0.473 1.00 3.10 H new ATOM 0 HA SER A 80 25.344 15.411 3.148 1.00 13.03 H new ATOM 0 HB2 SER A 80 24.583 17.884 1.594 1.00 10.32 H new ATOM 0 HB3 SER A 80 24.406 17.898 3.338 1.00 10.32 H new ATOM 0 HG SER A 80 26.747 17.711 1.767 1.00 63.20 H new ATOM 1223 N SER A 81 22.251 16.337 2.401 1.00 73.12 N ATOM 1224 CA SER A 81 20.857 16.190 2.802 1.00 15.13 C ATOM 1225 C SER A 81 19.993 15.761 1.620 1.00 61.30 C ATOM 1226 O SER A 81 20.406 15.863 0.465 1.00 44.01 O ATOM 1227 CB SER A 81 20.330 17.504 3.383 1.00 72.05 C ATOM 1228 OG SER A 81 18.940 17.424 3.647 1.00 71.12 O ATOM 0 H SER A 81 22.401 16.980 1.623 1.00 73.12 H new ATOM 0 HA SER A 81 20.805 15.415 3.567 1.00 15.13 H new ATOM 0 HB2 SER A 81 20.865 17.739 4.303 1.00 72.05 H new ATOM 0 HB3 SER A 81 20.524 18.318 2.685 1.00 72.05 H new ATOM 0 HG SER A 81 18.751 16.610 4.160 1.00 71.12 H new ATOM 1234 N VAL A 82 18.790 15.279 1.918 1.00 43.23 N ATOM 1235 CA VAL A 82 17.867 14.835 0.881 1.00 73.32 C ATOM 1236 C VAL A 82 16.418 15.001 1.327 1.00 24.31 C ATOM 1237 O VAL A 82 16.136 15.128 2.519 1.00 41.25 O ATOM 1238 CB VAL A 82 18.111 13.361 0.506 1.00 41.04 C ATOM 1239 CG1 VAL A 82 19.460 13.201 -0.178 1.00 64.41 C ATOM 1240 CG2 VAL A 82 18.021 12.476 1.739 1.00 34.52 C ATOM 0 H VAL A 82 18.433 15.186 2.869 1.00 43.23 H new ATOM 0 HA VAL A 82 18.049 15.460 0.007 1.00 73.32 H new ATOM 0 HB VAL A 82 17.336 13.049 -0.194 1.00 41.04 H new ATOM 0 HG11 VAL A 82 19.615 12.153 -0.436 1.00 64.41 H new ATOM 0 HG12 VAL A 82 19.482 13.805 -1.085 1.00 64.41 H new ATOM 0 HG13 VAL A 82 20.251 13.530 0.496 1.00 64.41 H new ATOM 0 HG21 VAL A 82 18.196 11.438 1.455 1.00 34.52 H new ATOM 0 HG22 VAL A 82 18.773 12.786 2.465 1.00 34.52 H new ATOM 0 HG23 VAL A 82 17.029 12.569 2.182 1.00 34.52 H new ATOM 1250 N ARG A 83 15.504 14.998 0.363 1.00 72.52 N ATOM 1251 CA ARG A 83 14.084 15.148 0.656 1.00 13.42 C ATOM 1252 C ARG A 83 13.265 14.070 -0.048 1.00 45.11 C ATOM 1253 O ARG A 83 13.502 13.759 -1.216 1.00 3.54 O ATOM 1254 CB ARG A 83 13.597 16.534 0.228 1.00 41.11 C ATOM 1255 CG ARG A 83 12.665 17.190 1.234 1.00 44.22 C ATOM 1256 CD ARG A 83 13.131 18.593 1.592 1.00 23.43 C ATOM 1257 NE ARG A 83 12.063 19.387 2.193 1.00 42.44 N ATOM 1258 CZ ARG A 83 12.279 20.465 2.938 1.00 4.23 C ATOM 1259 NH1 ARG A 83 13.518 20.875 3.174 1.00 62.22 N ATOM 1260 NH2 ARG A 83 11.255 21.136 3.450 1.00 62.02 N ATOM 0 H ARG A 83 15.721 14.893 -0.628 1.00 72.52 H new ATOM 0 HA ARG A 83 13.948 15.038 1.732 1.00 13.42 H new ATOM 0 HB2 ARG A 83 14.460 17.180 0.070 1.00 41.11 H new ATOM 0 HB3 ARG A 83 13.083 16.449 -0.729 1.00 41.11 H new ATOM 0 HG2 ARG A 83 11.657 17.234 0.823 1.00 44.22 H new ATOM 0 HG3 ARG A 83 12.615 16.581 2.136 1.00 44.22 H new ATOM 0 HD2 ARG A 83 13.970 18.531 2.285 1.00 23.43 H new ATOM 0 HD3 ARG A 83 13.495 19.094 0.695 1.00 23.43 H new ATOM 0 HE ARG A 83 11.098 19.098 2.032 1.00 42.44 H new ATOM 0 HH11 ARG A 83 14.308 20.362 2.783 1.00 62.22 H new ATOM 0 HH12 ARG A 83 13.681 21.703 3.747 1.00 62.22 H new ATOM 0 HH21 ARG A 83 10.300 20.824 3.272 1.00 62.02 H new ATOM 0 HH22 ARG A 83 11.422 21.964 4.022 1.00 62.02 H new ATOM 1274 N VAL A 84 12.302 13.502 0.670 1.00 11.01 N ATOM 1275 CA VAL A 84 11.448 12.459 0.115 1.00 60.15 C ATOM 1276 C VAL A 84 9.986 12.697 0.474 1.00 74.53 C ATOM 1277 O VAL A 84 9.664 13.056 1.606 1.00 24.24 O ATOM 1278 CB VAL A 84 11.868 11.064 0.615 1.00 41.12 C ATOM 1279 CG1 VAL A 84 13.361 10.852 0.413 1.00 33.53 C ATOM 1280 CG2 VAL A 84 11.489 10.886 2.077 1.00 14.52 C ATOM 0 H VAL A 84 12.094 13.747 1.638 1.00 11.01 H new ATOM 0 HA VAL A 84 11.564 12.498 -0.968 1.00 60.15 H new ATOM 0 HB VAL A 84 11.336 10.312 0.032 1.00 41.12 H new ATOM 0 HG11 VAL A 84 13.640 9.861 0.772 1.00 33.53 H new ATOM 0 HG12 VAL A 84 13.600 10.934 -0.647 1.00 33.53 H new ATOM 0 HG13 VAL A 84 13.914 11.608 0.969 1.00 33.53 H new ATOM 0 HG21 VAL A 84 11.793 9.895 2.414 1.00 14.52 H new ATOM 0 HG22 VAL A 84 11.992 11.644 2.678 1.00 14.52 H new ATOM 0 HG23 VAL A 84 10.410 10.992 2.189 1.00 14.52 H new ATOM 1290 N SER A 85 9.102 12.493 -0.499 1.00 25.14 N ATOM 1291 CA SER A 85 7.673 12.688 -0.286 1.00 41.11 C ATOM 1292 C SER A 85 6.860 11.933 -1.333 1.00 61.03 C ATOM 1293 O SER A 85 7.404 11.438 -2.321 1.00 50.40 O ATOM 1294 CB SER A 85 7.328 14.178 -0.333 1.00 32.22 C ATOM 1295 OG SER A 85 8.120 14.914 0.583 1.00 62.12 O ATOM 0 H SER A 85 9.351 12.193 -1.442 1.00 25.14 H new ATOM 0 HA SER A 85 7.420 12.294 0.698 1.00 41.11 H new ATOM 0 HB2 SER A 85 7.485 14.559 -1.342 1.00 32.22 H new ATOM 0 HB3 SER A 85 6.272 14.318 -0.100 1.00 32.22 H new ATOM 0 HG SER A 85 8.492 14.306 1.256 1.00 62.12 H new ATOM 1301 N LYS A 86 5.553 11.848 -1.110 1.00 61.10 N ATOM 1302 CA LYS A 86 4.662 11.155 -2.033 1.00 22.10 C ATOM 1303 C LYS A 86 4.123 12.112 -3.091 1.00 14.43 C ATOM 1304 O LYS A 86 3.592 13.174 -2.767 1.00 13.22 O ATOM 1305 CB LYS A 86 3.501 10.515 -1.269 1.00 72.33 C ATOM 1306 CG LYS A 86 3.579 8.999 -1.202 1.00 53.33 C ATOM 1307 CD LYS A 86 4.327 8.534 0.035 1.00 20.45 C ATOM 1308 CE LYS A 86 3.411 8.463 1.247 1.00 14.34 C ATOM 1309 NZ LYS A 86 4.070 7.794 2.403 1.00 54.10 N ATOM 0 H LYS A 86 5.087 12.251 -0.297 1.00 61.10 H new ATOM 0 HA LYS A 86 5.234 10.374 -2.534 1.00 22.10 H new ATOM 0 HB2 LYS A 86 3.480 10.915 -0.255 1.00 72.33 H new ATOM 0 HB3 LYS A 86 2.563 10.802 -1.744 1.00 72.33 H new ATOM 0 HG2 LYS A 86 2.572 8.582 -1.198 1.00 53.33 H new ATOM 0 HG3 LYS A 86 4.078 8.620 -2.094 1.00 53.33 H new ATOM 0 HD2 LYS A 86 4.764 7.553 -0.150 1.00 20.45 H new ATOM 0 HD3 LYS A 86 5.152 9.216 0.241 1.00 20.45 H new ATOM 0 HE2 LYS A 86 3.110 9.471 1.534 1.00 14.34 H new ATOM 0 HE3 LYS A 86 2.502 7.922 0.984 1.00 14.34 H new ATOM 0 HZ1 LYS A 86 3.480 7.001 2.728 1.00 54.10 H new ATOM 0 HZ2 LYS A 86 5.002 7.435 2.112 1.00 54.10 H new ATOM 0 HZ3 LYS A 86 4.189 8.477 3.178 1.00 54.10 H new ATOM 1323 N MET A 87 4.261 11.729 -4.356 1.00 22.35 N ATOM 1324 CA MET A 87 3.785 12.553 -5.460 1.00 73.23 C ATOM 1325 C MET A 87 2.453 12.032 -5.992 1.00 1.31 C ATOM 1326 O MET A 87 1.828 11.165 -5.383 1.00 24.34 O ATOM 1327 CB MET A 87 4.820 12.582 -6.586 1.00 41.51 C ATOM 1328 CG MET A 87 4.990 13.954 -7.219 1.00 62.24 C ATOM 1329 SD MET A 87 5.537 13.864 -8.935 1.00 62.41 S ATOM 1330 CE MET A 87 3.975 14.017 -9.797 1.00 74.11 C ATOM 0 H MET A 87 4.699 10.853 -4.642 1.00 22.35 H new ATOM 0 HA MET A 87 3.636 13.566 -5.087 1.00 73.23 H new ATOM 0 HB2 MET A 87 5.781 12.250 -6.194 1.00 41.51 H new ATOM 0 HB3 MET A 87 4.527 11.869 -7.357 1.00 41.51 H new ATOM 0 HG2 MET A 87 4.043 14.492 -7.171 1.00 62.24 H new ATOM 0 HG3 MET A 87 5.713 14.530 -6.641 1.00 62.24 H new ATOM 0 HE1 MET A 87 4.159 14.140 -10.864 1.00 74.11 H new ATOM 0 HE2 MET A 87 3.379 13.119 -9.632 1.00 74.11 H new ATOM 0 HE3 MET A 87 3.435 14.885 -9.420 1.00 74.11 H new ATOM 1340 N GLU A 88 2.025 12.568 -7.131 1.00 2.33 N ATOM 1341 CA GLU A 88 0.767 12.157 -7.742 1.00 52.43 C ATOM 1342 C GLU A 88 -0.410 12.449 -6.815 1.00 45.52 C ATOM 1343 O GLU A 88 -1.493 11.884 -6.970 1.00 3.22 O ATOM 1344 CB GLU A 88 0.803 10.666 -8.084 1.00 1.31 C ATOM 1345 CG GLU A 88 0.777 10.383 -9.577 1.00 2.15 C ATOM 1346 CD GLU A 88 -0.281 9.366 -9.959 1.00 43.20 C ATOM 1347 OE1 GLU A 88 0.019 8.154 -9.916 1.00 0.54 O ATOM 1348 OE2 GLU A 88 -1.407 9.781 -10.302 1.00 12.42 O ATOM 0 H GLU A 88 2.531 13.287 -7.648 1.00 2.33 H new ATOM 0 HA GLU A 88 0.635 12.730 -8.660 1.00 52.43 H new ATOM 0 HB2 GLU A 88 1.703 10.225 -7.655 1.00 1.31 H new ATOM 0 HB3 GLU A 88 -0.049 10.173 -7.615 1.00 1.31 H new ATOM 0 HG2 GLU A 88 0.594 11.312 -10.116 1.00 2.15 H new ATOM 0 HG3 GLU A 88 1.755 10.020 -9.891 1.00 2.15 H new ATOM 1355 N THR A 89 -0.189 13.337 -5.850 1.00 23.51 N ATOM 1356 CA THR A 89 -1.228 13.703 -4.896 1.00 52.24 C ATOM 1357 C THR A 89 -1.957 14.967 -5.337 1.00 54.21 C ATOM 1358 O THR A 89 -1.333 15.992 -5.617 1.00 35.51 O ATOM 1359 CB THR A 89 -0.646 13.925 -3.488 1.00 24.12 C ATOM 1360 OG1 THR A 89 0.774 13.735 -3.509 1.00 54.42 O ATOM 1361 CG2 THR A 89 -1.275 12.969 -2.485 1.00 41.24 C ATOM 0 H THR A 89 0.701 13.816 -5.709 1.00 23.51 H new ATOM 0 HA THR A 89 -1.933 12.872 -4.862 1.00 52.24 H new ATOM 0 HB THR A 89 -0.871 14.947 -3.183 1.00 24.12 H new ATOM 0 HG1 THR A 89 1.137 13.879 -2.610 1.00 54.42 H new ATOM 0 HG21 THR A 89 -0.848 13.145 -1.498 1.00 41.24 H new ATOM 0 HG22 THR A 89 -2.352 13.135 -2.450 1.00 41.24 H new ATOM 0 HG23 THR A 89 -1.077 11.941 -2.788 1.00 41.24 H new ATOM 1369 N THR A 90 -3.283 14.890 -5.397 1.00 33.15 N ATOM 1370 CA THR A 90 -4.098 16.028 -5.804 1.00 22.24 C ATOM 1371 C THR A 90 -3.691 16.529 -7.185 1.00 33.23 C ATOM 1372 O THR A 90 -3.819 17.714 -7.488 1.00 12.34 O ATOM 1373 CB THR A 90 -3.986 17.188 -4.796 1.00 34.50 C ATOM 1374 OG1 THR A 90 -3.862 16.671 -3.466 1.00 63.13 O ATOM 1375 CG2 THR A 90 -5.203 18.096 -4.880 1.00 54.43 C ATOM 0 H THR A 90 -3.816 14.051 -5.169 1.00 33.15 H new ATOM 0 HA THR A 90 -5.131 15.682 -5.836 1.00 22.24 H new ATOM 0 HB THR A 90 -3.099 17.771 -5.043 1.00 34.50 H new ATOM 0 HG1 THR A 90 -3.790 17.414 -2.832 1.00 63.13 H new ATOM 0 HG21 THR A 90 -5.102 18.908 -4.159 1.00 54.43 H new ATOM 0 HG22 THR A 90 -5.279 18.511 -5.885 1.00 54.43 H new ATOM 0 HG23 THR A 90 -6.102 17.522 -4.656 1.00 54.43 H new ATOM 1383 N ASN A 91 -3.201 15.618 -8.019 1.00 75.42 N ATOM 1384 CA ASN A 91 -2.776 15.968 -9.369 1.00 52.05 C ATOM 1385 C ASN A 91 -3.754 15.423 -10.406 1.00 43.13 C ATOM 1386 O ASN A 91 -3.567 14.326 -10.933 1.00 15.32 O ATOM 1387 CB ASN A 91 -1.372 15.425 -9.641 1.00 62.03 C ATOM 1388 CG ASN A 91 -0.784 15.962 -10.932 1.00 10.11 C ATOM 1389 OD1 ASN A 91 -1.510 16.267 -11.878 1.00 72.53 O ATOM 1390 ND2 ASN A 91 0.538 16.080 -10.976 1.00 11.54 N ATOM 0 H ASN A 91 -3.088 14.632 -7.784 1.00 75.42 H new ATOM 0 HA ASN A 91 -2.759 17.055 -9.447 1.00 52.05 H new ATOM 0 HB2 ASN A 91 -0.717 15.687 -8.810 1.00 62.03 H new ATOM 0 HB3 ASN A 91 -1.409 14.337 -9.687 1.00 62.03 H new ATOM 0 HD21 ASN A 91 0.991 16.436 -11.818 1.00 11.54 H new ATOM 0 HD22 ASN A 91 1.101 15.815 -10.168 1.00 11.54 H new TER 1397 ASN A 91