USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 SER OG : rot -114:sc= 1.48 USER MOD Set 1.2: A 80 ASN : amide:sc= 1.21 K(o=2.7,f=0.7!) USER MOD Set 2.1: A 44 CYS SG : rot 62:sc= -5.07! USER MOD Set 2.2: A 50 CYS SG : rot 156:sc= -1.43 USER MOD Set 2.3: A 60 CYS SG : rot 102:sc= 1.22 USER MOD Set 2.4: A 61 GLN : amide:sc= 0.589 K(o=-6.8,f=-14!) USER MOD Set 2.5: A 63 CYS SG : rot -176:sc= -2.07! USER MOD Set 3.1: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 40 MET CE :methyl -124:sc= -0.664 (180deg=-0.736) USER MOD Set 4.2: A 42 TYR OH : rot -129:sc= 0.322 USER MOD Set 4.3: A 66 GLN : amide:sc= -1.4! K(o=-1.7!,f=-2.7) USER MOD Set 5.1: A 38 LYS NZ :NH3+ 147:sc= -0.23 (180deg=-2.65!) USER MOD Set 5.2: A 39 ASN :FLIP amide:sc= -3.23! C(o=-16!,f=-3.5!) USER MOD Set 6.1: A 37 GLN : amide:sc= 0.13 K(o=-2,f=-5.7) USER MOD Set 6.2: A 75 LYS NZ :NH3+ -119:sc= -2.1! (180deg=-5.19!) USER MOD Set 7.1: A 8 CYS SG : rot 53:sc= -0.684! USER MOD Set 7.2: A 11 CYS SG : rot -36:sc= -0.851 USER MOD Set 7.3: A 25 CYS SG : rot -38:sc= -0.529 USER MOD Set 7.4: A 28 CYS SG : rot -179:sc= 2.32 USER MOD Set 7.5: A 68 CYS SG : rot -135:sc= -0.475 USER MOD Set 8.1: A 18 TYR OH : rot -144:sc= 0.0739 USER MOD Set 8.2: A 23 SER OG : rot 47:sc= 0.96 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.41) USER MOD Single : A 16 SER OG : rot 180:sc= -0.388 USER MOD Single : A 19 HIS : no HD1:sc= -2.21 X(o=-2.2,f=-1.8) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.397 USER MOD Single : A 29 LYS NZ :NH3+ -150:sc= -1.75 (180deg=-4.03!) USER MOD Single : A 35 SER OG : rot -150:sc= -0.0224 USER MOD Single : A 43 THR OG1 : rot 3:sc= 0.637 USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.678 K(o=-0.68,f=-2.8!) USER MOD Single : A 53 ASN : amide:sc= -2.4! C(o=-2.4!,f=-6.7!) USER MOD Single : A 54 LYS NZ :NH3+ 146:sc= -2.72! (180deg=-4.09!) USER MOD Single : A 56 THR OG1 : rot 46:sc= -3.38! USER MOD Single : A 58 ASN :FLIP amide:sc= -0.662 F(o=-1.5,f=-0.66) USER MOD Single : A 67 LYS NZ :NH3+ -123:sc= 0.00554 (180deg=0) USER MOD Single : A 73 MET CE :methyl -170:sc= -1.86 (180deg=-1.96) USER MOD Single : A 74 SER OG : rot 16:sc= 1.44 USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 6 7.339 9.042 0.125 1.00 0.00 N ATOM 47 CA LYS A 6 6.160 8.144 0.160 1.00 0.00 C ATOM 48 C LYS A 6 5.801 7.265 -1.036 1.00 0.00 C ATOM 49 O LYS A 6 5.663 6.088 -0.734 1.00 0.00 O ATOM 50 CB LYS A 6 4.975 8.755 0.900 1.00 0.00 C ATOM 51 CG LYS A 6 4.881 10.288 0.849 1.00 0.00 C ATOM 52 CD LYS A 6 5.555 10.967 2.048 1.00 0.00 C ATOM 53 CE LYS A 6 5.594 12.482 1.882 1.00 0.00 C ATOM 54 NZ LYS A 6 6.358 13.079 2.984 1.00 0.00 N ATOM 0 HA LYS A 6 6.568 7.334 0.765 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.057 8.338 0.486 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.023 8.446 1.944 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.343 10.645 -0.071 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.832 10.582 0.814 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.016 10.714 2.961 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.570 10.586 2.160 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.051 12.742 0.927 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.580 12.883 1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.383 14.112 2.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.904 12.842 3.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.329 12.706 2.976 1.00 0.00 H new ATOM 55 N PRO A 7 5.278 7.723 -2.181 1.00 0.00 N ATOM 56 CA PRO A 7 4.139 8.632 -2.376 1.00 0.00 C ATOM 57 C PRO A 7 2.780 7.978 -2.110 1.00 0.00 C ATOM 58 O PRO A 7 1.754 8.401 -2.623 1.00 0.00 O ATOM 59 CB PRO A 7 4.243 9.023 -3.833 1.00 0.00 C ATOM 60 CG PRO A 7 4.964 7.866 -4.517 1.00 0.00 C ATOM 61 CD PRO A 7 6.005 7.558 -3.444 1.00 0.00 C ATOM 0 HA PRO A 7 4.186 9.468 -1.678 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.256 9.182 -4.268 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.797 9.954 -3.950 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.306 7.021 -4.718 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.413 8.154 -5.468 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.398 6.547 -3.548 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.855 8.238 -3.506 1.00 0.00 H new ATOM 62 N CYS A 8 2.783 7.153 -1.085 1.00 0.00 N ATOM 63 CA CYS A 8 2.027 5.893 -1.148 1.00 0.00 C ATOM 64 C CYS A 8 1.070 5.392 -0.060 1.00 0.00 C ATOM 65 O CYS A 8 0.104 4.724 -0.426 1.00 0.00 O ATOM 66 CB CYS A 8 3.049 4.831 -1.412 1.00 0.00 C ATOM 67 SG CYS A 8 2.389 3.181 -1.849 1.00 0.00 S ATOM 0 H CYS A 8 3.284 7.314 -0.211 1.00 0.00 H new ATOM 0 HA CYS A 8 1.277 6.128 -1.903 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.696 5.169 -2.222 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.675 4.728 -0.526 1.00 0.00 H new ATOM 0 HG CYS A 8 1.553 3.296 -2.838 1.00 0.00 H new ATOM 68 N PHE A 9 1.221 5.657 1.232 1.00 0.00 N ATOM 69 CA PHE A 9 2.195 6.532 1.891 1.00 0.00 C ATOM 70 C PHE A 9 3.528 5.880 2.347 1.00 0.00 C ATOM 71 O PHE A 9 4.334 6.459 3.062 1.00 0.00 O ATOM 72 CB PHE A 9 1.442 7.268 3.004 1.00 0.00 C ATOM 73 CG PHE A 9 2.235 8.198 3.913 1.00 0.00 C ATOM 74 CD1 PHE A 9 2.446 9.490 3.422 1.00 0.00 C ATOM 75 CD2 PHE A 9 2.339 7.935 5.295 1.00 0.00 C ATOM 76 CE1 PHE A 9 2.718 10.556 4.288 1.00 0.00 C ATOM 77 CE2 PHE A 9 2.587 8.996 6.199 1.00 0.00 C ATOM 78 CZ PHE A 9 2.754 10.302 5.673 1.00 0.00 C ATOM 0 H PHE A 9 0.603 5.222 1.918 1.00 0.00 H new ATOM 0 HA PHE A 9 2.582 7.230 1.149 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.648 7.853 2.539 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.960 6.519 3.632 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.398 9.669 2.358 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.230 6.926 5.663 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.896 11.549 3.903 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.647 8.815 7.262 1.00 0.00 H new ATOM 0 HZ PHE A 9 2.913 11.125 6.354 1.00 0.00 H new ATOM 79 N VAL A 10 3.817 4.769 1.685 1.00 0.00 N ATOM 80 CA VAL A 10 4.805 3.774 2.120 1.00 0.00 C ATOM 81 C VAL A 10 5.840 3.238 1.108 1.00 0.00 C ATOM 82 O VAL A 10 6.888 2.726 1.477 1.00 0.00 O ATOM 83 CB VAL A 10 3.879 2.711 2.693 1.00 0.00 C ATOM 84 CG1 VAL A 10 4.258 1.238 2.661 1.00 0.00 C ATOM 85 CG2 VAL A 10 3.242 3.052 4.058 1.00 0.00 C ATOM 0 H VAL A 10 3.362 4.522 0.806 1.00 0.00 H new ATOM 0 HA VAL A 10 5.532 4.212 2.804 1.00 0.00 H new ATOM 0 HB VAL A 10 3.145 2.792 1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.464 0.648 3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.397 0.920 1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.185 1.089 3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.601 2.230 4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.028 3.207 4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.647 3.961 3.965 1.00 0.00 H new ATOM 86 N CYS A 11 5.457 3.298 -0.164 1.00 0.00 N ATOM 87 CA CYS A 11 6.193 2.743 -1.318 1.00 0.00 C ATOM 88 C CYS A 11 6.517 3.850 -2.341 1.00 0.00 C ATOM 89 O CYS A 11 5.613 4.333 -3.015 1.00 0.00 O ATOM 90 CB CYS A 11 5.336 1.615 -1.942 1.00 0.00 C ATOM 91 SG CYS A 11 5.325 1.458 -3.778 1.00 0.00 S ATOM 0 H CYS A 11 4.587 3.753 -0.441 1.00 0.00 H new ATOM 0 HA CYS A 11 7.148 2.329 -0.994 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.678 0.667 -1.527 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.307 1.755 -1.612 1.00 0.00 H new ATOM 0 HG CYS A 11 5.380 2.641 -4.315 1.00 0.00 H new ATOM 92 N GLN A 12 7.646 4.535 -2.301 1.00 0.00 N ATOM 93 CA GLN A 12 8.563 4.908 -1.202 1.00 0.00 C ATOM 94 C GLN A 12 9.450 6.122 -1.586 1.00 0.00 C ATOM 95 O GLN A 12 10.677 6.036 -1.540 1.00 0.00 O ATOM 96 CB GLN A 12 9.357 3.747 -0.579 1.00 0.00 C ATOM 97 CG GLN A 12 10.116 4.133 0.693 1.00 0.00 C ATOM 98 CD GLN A 12 9.508 5.249 1.562 1.00 0.00 C ATOM 99 OE1 GLN A 12 10.111 6.307 1.739 1.00 0.00 O ATOM 100 NE2 GLN A 12 8.294 5.066 2.054 1.00 0.00 N ATOM 0 H GLN A 12 8.010 4.909 -3.177 1.00 0.00 H new ATOM 0 HA GLN A 12 7.911 5.221 -0.386 1.00 0.00 H new ATOM 0 HB2 GLN A 12 8.671 2.932 -0.349 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.067 3.368 -1.314 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.217 3.241 1.311 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.123 4.438 0.407 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.808 4.183 1.898 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.844 5.808 2.589 1.00 0.00 H new ATOM 124 N SER A 16 1.970 11.781 -4.035 1.00 0.00 N ATOM 125 CA SER A 16 1.038 11.707 -5.179 1.00 0.00 C ATOM 126 C SER A 16 -0.421 11.800 -4.697 1.00 0.00 C ATOM 127 O SER A 16 -0.824 11.149 -3.743 1.00 0.00 O ATOM 128 CB SER A 16 1.158 10.355 -5.869 1.00 0.00 C ATOM 129 OG SER A 16 2.490 10.095 -6.307 1.00 0.00 O ATOM 0 HA SER A 16 1.290 12.529 -5.849 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.842 9.569 -5.183 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.483 10.323 -6.724 1.00 0.00 H new ATOM 0 HG SER A 16 2.526 9.218 -6.743 1.00 0.00 H new ATOM 130 N GLY A 17 -1.102 12.756 -5.318 1.00 0.00 N ATOM 131 CA GLY A 17 -2.574 12.859 -5.311 1.00 0.00 C ATOM 132 C GLY A 17 -3.123 14.192 -4.737 1.00 0.00 C ATOM 133 O GLY A 17 -2.604 15.255 -5.052 1.00 0.00 O ATOM 0 H GLY A 17 -0.649 13.498 -5.852 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.939 12.740 -6.331 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.981 12.032 -4.728 1.00 0.00 H new ATOM 134 N TYR A 18 -4.112 14.141 -3.844 1.00 0.00 N ATOM 135 CA TYR A 18 -4.641 12.908 -3.240 1.00 0.00 C ATOM 136 C TYR A 18 -6.061 12.468 -3.595 1.00 0.00 C ATOM 137 O TYR A 18 -6.998 13.263 -3.703 1.00 0.00 O ATOM 138 CB TYR A 18 -4.593 12.883 -1.704 1.00 0.00 C ATOM 139 CG TYR A 18 -3.243 12.561 -1.050 1.00 0.00 C ATOM 140 CD1 TYR A 18 -2.026 12.892 -1.678 1.00 0.00 C ATOM 141 CD2 TYR A 18 -3.319 12.408 0.359 1.00 0.00 C ATOM 142 CE1 TYR A 18 -0.914 13.251 -0.910 1.00 0.00 C ATOM 143 CE2 TYR A 18 -2.221 12.773 1.135 1.00 0.00 C ATOM 144 CZ TYR A 18 -1.040 13.209 0.508 1.00 0.00 C ATOM 145 OH TYR A 18 0.091 13.307 1.249 1.00 0.00 O ATOM 0 H TYR A 18 -4.585 14.980 -3.508 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.941 12.213 -3.704 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.921 13.857 -1.340 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.321 12.150 -1.355 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.952 12.868 -2.755 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.212 12.015 0.822 1.00 0.00 H new ATOM 0 HE1 TYR A 18 0.012 13.551 -1.378 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.276 12.721 2.212 1.00 0.00 H new ATOM 0 HH TYR A 18 0.013 12.736 2.042 1.00 0.00 H new ATOM 146 N HIS A 19 -6.124 11.164 -3.853 1.00 0.00 N ATOM 147 CA HIS A 19 -7.336 10.331 -3.925 1.00 0.00 C ATOM 148 C HIS A 19 -8.020 10.223 -2.544 1.00 0.00 C ATOM 149 O HIS A 19 -9.214 10.472 -2.423 1.00 0.00 O ATOM 150 CB HIS A 19 -6.890 8.929 -4.386 1.00 0.00 C ATOM 151 CG HIS A 19 -5.786 8.973 -5.457 1.00 0.00 C ATOM 152 ND1 HIS A 19 -5.903 9.533 -6.654 1.00 0.00 N ATOM 153 CD2 HIS A 19 -4.491 8.821 -5.210 1.00 0.00 C ATOM 154 CE1 HIS A 19 -4.682 9.783 -7.128 1.00 0.00 C ATOM 155 NE2 HIS A 19 -3.817 9.349 -6.219 1.00 0.00 N ATOM 0 H HIS A 19 -5.279 10.620 -4.030 1.00 0.00 H new ATOM 0 HA HIS A 19 -8.054 10.774 -4.615 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -6.531 8.366 -3.524 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.752 8.391 -4.782 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.062 8.349 -4.338 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -4.442 10.250 -8.072 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -2.801 9.412 -6.287 1.00 0.00 H new ATOM 156 N TYR A 20 -7.236 9.843 -1.536 1.00 0.00 N ATOM 157 CA TYR A 20 -7.669 9.706 -0.126 1.00 0.00 C ATOM 158 C TYR A 20 -6.580 10.303 0.799 1.00 0.00 C ATOM 159 O TYR A 20 -5.404 10.260 0.425 1.00 0.00 O ATOM 160 CB TYR A 20 -7.896 8.242 0.269 1.00 0.00 C ATOM 161 CG TYR A 20 -8.494 7.273 -0.767 1.00 0.00 C ATOM 162 CD1 TYR A 20 -9.765 7.533 -1.340 1.00 0.00 C ATOM 163 CD2 TYR A 20 -7.625 6.295 -1.303 1.00 0.00 C ATOM 164 CE1 TYR A 20 -10.157 6.827 -2.497 1.00 0.00 C ATOM 165 CE2 TYR A 20 -8.015 5.580 -2.440 1.00 0.00 C ATOM 166 CZ TYR A 20 -9.272 5.865 -3.031 1.00 0.00 C ATOM 167 OH TYR A 20 -9.531 5.377 -4.265 1.00 0.00 O ATOM 0 H TYR A 20 -6.251 9.613 -1.671 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.614 10.238 -0.018 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.936 7.834 0.585 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -8.549 8.234 1.142 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -10.425 8.263 -0.896 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -6.669 6.102 -0.839 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -11.112 7.018 -2.964 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -7.369 4.823 -2.861 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.842 4.724 -4.510 1.00 0.00 H new ATOM 168 N GLY A 21 -6.935 10.563 2.058 1.00 0.00 N ATOM 169 CA GLY A 21 -6.144 11.359 3.033 1.00 0.00 C ATOM 170 C GLY A 21 -4.974 10.629 3.726 1.00 0.00 C ATOM 171 O GLY A 21 -4.947 10.474 4.945 1.00 0.00 O ATOM 0 H GLY A 21 -7.810 10.219 2.453 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -5.744 12.232 2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.822 11.727 3.804 1.00 0.00 H new ATOM 172 N VAL A 22 -4.055 10.195 2.889 1.00 0.00 N ATOM 173 CA VAL A 22 -2.782 9.502 3.230 1.00 0.00 C ATOM 174 C VAL A 22 -1.554 10.269 2.693 1.00 0.00 C ATOM 175 O VAL A 22 -1.098 11.238 3.301 1.00 0.00 O ATOM 176 CB VAL A 22 -3.001 8.015 2.822 1.00 0.00 C ATOM 177 CG1 VAL A 22 -3.445 7.776 1.386 1.00 0.00 C ATOM 178 CG2 VAL A 22 -1.841 7.089 2.849 1.00 0.00 C ATOM 0 H VAL A 22 -4.163 10.313 1.882 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.529 9.493 4.290 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.739 7.811 3.598 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.566 6.706 1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.395 8.281 1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.693 8.170 0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.162 6.095 2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.071 7.451 2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.438 7.041 3.860 1.00 0.00 H new ATOM 179 N SER A 23 -0.790 9.572 1.881 1.00 0.00 N ATOM 180 CA SER A 23 -0.354 9.958 0.531 1.00 0.00 C ATOM 181 C SER A 23 -0.577 8.719 -0.322 1.00 0.00 C ATOM 182 O SER A 23 -0.431 7.615 0.198 1.00 0.00 O ATOM 183 CB SER A 23 1.129 10.275 0.425 1.00 0.00 C ATOM 184 OG SER A 23 1.350 10.969 -0.802 1.00 0.00 O ATOM 0 H SER A 23 -0.426 8.658 2.152 1.00 0.00 H new ATOM 0 HA SER A 23 -0.902 10.852 0.235 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.449 10.885 1.270 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.717 9.358 0.454 1.00 0.00 H new ATOM 0 HG SER A 23 0.686 11.683 -0.898 1.00 0.00 H new ATOM 185 N ALA A 24 -1.213 8.894 -1.466 1.00 0.00 N ATOM 186 CA ALA A 24 -1.177 7.790 -2.408 1.00 0.00 C ATOM 187 C ALA A 24 -0.666 7.919 -3.839 1.00 0.00 C ATOM 188 O ALA A 24 -1.269 8.611 -4.651 1.00 0.00 O ATOM 189 CB ALA A 24 -2.289 6.710 -2.286 1.00 0.00 C ATOM 0 H ALA A 24 -1.727 9.727 -1.754 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.259 7.449 -1.929 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.140 5.947 -3.050 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.242 6.250 -1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.265 7.176 -2.423 1.00 0.00 H new ATOM 190 N CYS A 25 -0.014 6.802 -4.149 1.00 0.00 N ATOM 191 CA CYS A 25 1.092 6.663 -5.131 1.00 0.00 C ATOM 192 C CYS A 25 0.604 6.587 -6.590 1.00 0.00 C ATOM 193 O CYS A 25 1.328 6.217 -7.511 1.00 0.00 O ATOM 194 CB CYS A 25 1.736 5.334 -4.768 1.00 0.00 C ATOM 195 SG CYS A 25 3.197 4.668 -5.647 1.00 0.00 S ATOM 0 H CYS A 25 -0.245 5.913 -3.706 1.00 0.00 H new ATOM 0 HA CYS A 25 1.756 7.526 -5.082 1.00 0.00 H new ATOM 0 HB2 CYS A 25 2.010 5.399 -3.715 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.955 4.578 -4.848 1.00 0.00 H new ATOM 0 HG CYS A 25 3.103 4.941 -6.914 1.00 0.00 H new ATOM 196 N GLU A 26 -0.643 7.038 -6.756 1.00 0.00 N ATOM 197 CA GLU A 26 -1.463 7.122 -7.986 1.00 0.00 C ATOM 198 C GLU A 26 -1.821 5.718 -8.483 1.00 0.00 C ATOM 199 O GLU A 26 -2.927 5.248 -8.198 1.00 0.00 O ATOM 200 CB GLU A 26 -0.786 8.041 -9.012 1.00 0.00 C ATOM 201 CG GLU A 26 -1.142 9.510 -8.756 1.00 0.00 C ATOM 202 CD GLU A 26 -0.323 10.470 -9.629 1.00 0.00 C ATOM 203 OE1 GLU A 26 -0.543 10.451 -10.860 1.00 0.00 O ATOM 204 OE2 GLU A 26 0.443 11.257 -9.039 1.00 0.00 O ATOM 0 H GLU A 26 -1.164 7.392 -5.954 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.424 7.595 -7.781 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.295 7.912 -8.963 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.096 7.758 -10.018 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.204 9.663 -8.950 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.973 9.744 -7.705 1.00 0.00 H new ATOM 205 N GLY A 27 -0.758 4.967 -8.756 1.00 0.00 N ATOM 206 CA GLY A 27 -0.784 3.511 -8.953 1.00 0.00 C ATOM 207 C GLY A 27 -1.350 2.795 -7.713 1.00 0.00 C ATOM 208 O GLY A 27 -2.213 1.926 -7.866 1.00 0.00 O ATOM 0 H GLY A 27 0.178 5.362 -8.850 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.391 3.270 -9.825 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.224 3.150 -9.157 1.00 0.00 H new ATOM 209 N CYS A 28 -1.027 3.291 -6.513 1.00 0.00 N ATOM 210 CA CYS A 28 -1.536 2.659 -5.280 1.00 0.00 C ATOM 211 C CYS A 28 -3.020 2.781 -4.982 1.00 0.00 C ATOM 212 O CYS A 28 -3.577 1.791 -4.534 1.00 0.00 O ATOM 213 CB CYS A 28 -0.707 2.727 -4.035 1.00 0.00 C ATOM 214 SG CYS A 28 0.799 1.713 -4.309 1.00 0.00 S ATOM 0 H CYS A 28 -0.432 4.106 -6.365 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.391 1.639 -5.634 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.437 3.759 -3.811 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.270 2.352 -3.180 1.00 0.00 H new ATOM 0 HG CYS A 28 1.533 1.727 -3.236 1.00 0.00 H new ATOM 215 N LYS A 29 -3.654 3.894 -5.314 1.00 0.00 N ATOM 216 CA LYS A 29 -5.145 3.973 -5.247 1.00 0.00 C ATOM 217 C LYS A 29 -5.780 2.936 -6.194 1.00 0.00 C ATOM 218 O LYS A 29 -6.704 2.219 -5.797 1.00 0.00 O ATOM 219 CB LYS A 29 -5.611 5.405 -5.495 1.00 0.00 C ATOM 220 CG LYS A 29 -5.856 5.879 -6.943 1.00 0.00 C ATOM 221 CD LYS A 29 -7.256 5.509 -7.429 1.00 0.00 C ATOM 222 CE LYS A 29 -7.491 5.955 -8.875 1.00 0.00 C ATOM 223 NZ LYS A 29 -8.748 5.358 -9.365 1.00 0.00 N ATOM 0 H LYS A 29 -3.193 4.748 -5.628 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.487 3.714 -4.245 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.539 5.548 -4.942 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.871 6.072 -5.053 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.725 6.960 -6.999 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.112 5.433 -7.603 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.394 4.430 -7.354 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.000 5.971 -6.780 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.545 7.042 -8.929 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.657 5.645 -9.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.683 5.207 -10.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.908 4.447 -8.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.540 5.999 -9.159 1.00 0.00 H new ATOM 224 N GLY A 30 -5.185 2.795 -7.392 1.00 0.00 N ATOM 225 CA GLY A 30 -5.537 1.785 -8.410 1.00 0.00 C ATOM 226 C GLY A 30 -5.462 0.377 -7.813 1.00 0.00 C ATOM 227 O GLY A 30 -6.505 -0.234 -7.555 1.00 0.00 O ATOM 0 H GLY A 30 -4.420 3.401 -7.689 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.542 1.974 -8.787 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.858 1.863 -9.259 1.00 0.00 H new ATOM 228 N PHE A 31 -4.273 0.039 -7.317 1.00 0.00 N ATOM 229 CA PHE A 31 -3.985 -1.175 -6.534 1.00 0.00 C ATOM 230 C PHE A 31 -4.938 -1.434 -5.357 1.00 0.00 C ATOM 231 O PHE A 31 -5.446 -2.549 -5.199 1.00 0.00 O ATOM 232 CB PHE A 31 -2.516 -1.019 -6.101 1.00 0.00 C ATOM 233 CG PHE A 31 -2.010 -1.839 -4.911 1.00 0.00 C ATOM 234 CD1 PHE A 31 -2.255 -1.327 -3.612 1.00 0.00 C ATOM 235 CD2 PHE A 31 -1.358 -3.083 -5.085 1.00 0.00 C ATOM 236 CE1 PHE A 31 -1.942 -2.091 -2.486 1.00 0.00 C ATOM 237 CE2 PHE A 31 -1.006 -3.843 -3.945 1.00 0.00 C ATOM 238 CZ PHE A 31 -1.338 -3.351 -2.654 1.00 0.00 C ATOM 0 H PHE A 31 -3.447 0.622 -7.451 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.148 -2.066 -7.141 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.890 -1.262 -6.960 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.349 0.034 -5.872 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.685 -0.343 -3.493 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.132 -3.448 -6.076 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.161 -1.719 -1.496 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.491 -4.786 -4.055 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.123 -3.955 -1.785 1.00 0.00 H new ATOM 239 N PHE A 32 -5.346 -0.344 -4.716 1.00 0.00 N ATOM 240 CA PHE A 32 -6.033 -0.364 -3.410 1.00 0.00 C ATOM 241 C PHE A 32 -7.461 -0.862 -3.672 1.00 0.00 C ATOM 242 O PHE A 32 -7.787 -1.980 -3.283 1.00 0.00 O ATOM 243 CB PHE A 32 -5.923 1.074 -2.891 1.00 0.00 C ATOM 244 CG PHE A 32 -5.589 1.162 -1.419 1.00 0.00 C ATOM 245 CD1 PHE A 32 -4.464 0.462 -0.943 1.00 0.00 C ATOM 246 CD2 PHE A 32 -6.489 1.807 -0.549 1.00 0.00 C ATOM 247 CE1 PHE A 32 -4.293 0.308 0.452 1.00 0.00 C ATOM 248 CE2 PHE A 32 -6.340 1.631 0.804 1.00 0.00 C ATOM 249 CZ PHE A 32 -5.264 0.853 1.309 1.00 0.00 C ATOM 0 H PHE A 32 -5.211 0.597 -5.087 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.617 -1.027 -2.652 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.157 1.600 -3.461 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.866 1.590 -3.073 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.743 0.049 -1.633 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.282 2.428 -0.939 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.436 -0.216 0.849 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.043 2.085 1.487 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.191 0.677 2.372 1.00 0.00 H new ATOM 250 N ARG A 33 -8.153 -0.190 -4.594 1.00 0.00 N ATOM 251 CA ARG A 33 -9.444 -0.683 -5.103 1.00 0.00 C ATOM 252 C ARG A 33 -9.380 -2.007 -5.860 1.00 0.00 C ATOM 253 O ARG A 33 -10.183 -2.908 -5.623 1.00 0.00 O ATOM 254 CB ARG A 33 -10.195 0.371 -5.907 1.00 0.00 C ATOM 255 CG ARG A 33 -9.531 0.929 -7.160 1.00 0.00 C ATOM 256 CD ARG A 33 -10.489 1.926 -7.803 1.00 0.00 C ATOM 257 NE ARG A 33 -10.397 3.261 -7.171 1.00 0.00 N ATOM 258 CZ ARG A 33 -10.942 4.394 -7.624 1.00 0.00 C ATOM 259 NH1 ARG A 33 -11.673 4.434 -8.732 1.00 0.00 N ATOM 260 NH2 ARG A 33 -10.607 5.549 -7.088 1.00 0.00 N ATOM 0 H ARG A 33 -7.847 0.692 -5.004 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.012 -0.896 -4.198 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.154 -0.055 -6.200 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.408 1.208 -5.242 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.589 1.416 -6.906 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.296 0.124 -7.856 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.266 2.011 -8.866 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.510 1.554 -7.720 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.865 3.322 -6.303 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.834 3.581 -9.268 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.073 5.318 -9.047 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.930 5.580 -6.325 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.024 6.413 -7.435 1.00 0.00 H new ATOM 261 N ARG A 34 -8.299 -2.167 -6.612 1.00 0.00 N ATOM 262 CA ARG A 34 -8.123 -3.372 -7.423 1.00 0.00 C ATOM 263 C ARG A 34 -8.156 -4.674 -6.631 1.00 0.00 C ATOM 264 O ARG A 34 -8.990 -5.524 -6.934 1.00 0.00 O ATOM 265 CB ARG A 34 -6.813 -3.280 -8.253 1.00 0.00 C ATOM 266 CG ARG A 34 -6.705 -4.332 -9.370 1.00 0.00 C ATOM 267 CD ARG A 34 -5.641 -5.402 -9.135 1.00 0.00 C ATOM 268 NE ARG A 34 -6.041 -6.409 -8.135 1.00 0.00 N ATOM 269 CZ ARG A 34 -5.271 -6.891 -7.154 1.00 0.00 C ATOM 270 NH1 ARG A 34 -4.034 -6.472 -6.939 1.00 0.00 N ATOM 271 NH2 ARG A 34 -5.727 -7.909 -6.431 1.00 0.00 N ATOM 0 H ARG A 34 -7.539 -1.490 -6.680 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.986 -3.407 -8.087 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.745 -2.286 -8.696 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.961 -3.389 -7.582 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.673 -4.820 -9.486 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.489 -3.824 -10.310 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.424 -5.903 -10.079 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.718 -4.922 -8.809 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.993 -6.771 -8.197 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.629 -5.750 -7.535 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.486 -6.871 -6.177 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.646 -8.305 -6.630 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.158 -8.294 -5.677 1.00 0.00 H new ATOM 272 N SER A 35 -7.439 -4.644 -5.518 1.00 0.00 N ATOM 273 CA SER A 35 -7.640 -5.677 -4.495 1.00 0.00 C ATOM 274 C SER A 35 -8.962 -5.495 -3.760 1.00 0.00 C ATOM 275 O SER A 35 -9.977 -6.036 -4.197 1.00 0.00 O ATOM 276 CB SER A 35 -6.471 -5.748 -3.530 1.00 0.00 C ATOM 277 OG SER A 35 -5.248 -6.024 -4.221 1.00 0.00 O ATOM 0 H SER A 35 -6.732 -3.942 -5.297 1.00 0.00 H new ATOM 0 HA SER A 35 -7.689 -6.634 -5.014 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.383 -4.805 -2.991 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.655 -6.524 -2.787 1.00 0.00 H new ATOM 0 HG SER A 35 -4.643 -6.519 -3.630 1.00 0.00 H new ATOM 278 N ILE A 36 -9.035 -4.465 -2.940 1.00 0.00 N ATOM 279 CA ILE A 36 -10.065 -4.380 -1.887 1.00 0.00 C ATOM 280 C ILE A 36 -11.499 -4.371 -2.395 1.00 0.00 C ATOM 281 O ILE A 36 -12.257 -5.294 -2.102 1.00 0.00 O ATOM 282 CB ILE A 36 -9.851 -3.200 -0.942 1.00 0.00 C ATOM 283 CG1 ILE A 36 -8.454 -3.309 -0.343 1.00 0.00 C ATOM 284 CG2 ILE A 36 -10.820 -3.074 0.216 1.00 0.00 C ATOM 285 CD1 ILE A 36 -7.982 -1.897 -0.086 1.00 0.00 C ATOM 0 H ILE A 36 -8.399 -3.668 -2.971 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.930 -5.310 -1.334 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.010 -2.320 -1.565 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.473 -3.885 0.582 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.779 -3.825 -1.026 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.563 -2.199 0.812 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.834 -2.966 -0.168 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.761 -3.967 0.838 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.981 -1.921 0.345 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.959 -1.344 -1.025 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.664 -1.406 0.608 1.00 0.00 H new ATOM 286 N GLN A 37 -11.732 -3.481 -3.357 1.00 0.00 N ATOM 287 CA GLN A 37 -13.077 -3.115 -3.761 1.00 0.00 C ATOM 288 C GLN A 37 -13.860 -4.320 -4.324 1.00 0.00 C ATOM 289 O GLN A 37 -15.084 -4.409 -4.200 1.00 0.00 O ATOM 290 CB GLN A 37 -12.933 -2.031 -4.823 1.00 0.00 C ATOM 291 CG GLN A 37 -14.266 -1.365 -5.109 1.00 0.00 C ATOM 292 CD GLN A 37 -14.149 -0.361 -6.260 1.00 0.00 C ATOM 293 OE1 GLN A 37 -14.464 0.814 -6.137 1.00 0.00 O ATOM 294 NE2 GLN A 37 -13.635 -0.809 -7.382 1.00 0.00 N ATOM 0 H GLN A 37 -10.995 -2.999 -3.872 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.643 -2.761 -2.899 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.214 -1.283 -4.488 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -12.537 -2.467 -5.740 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -15.008 -2.123 -5.359 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -14.620 -0.855 -4.213 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.378 -1.792 -7.468 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -13.493 -0.174 -8.167 1.00 0.00 H new ATOM 295 N LYS A 38 -13.110 -5.112 -5.082 1.00 0.00 N ATOM 296 CA LYS A 38 -13.576 -6.249 -5.875 1.00 0.00 C ATOM 297 C LYS A 38 -12.892 -7.605 -5.618 1.00 0.00 C ATOM 298 O LYS A 38 -13.569 -8.599 -5.353 1.00 0.00 O ATOM 299 CB LYS A 38 -13.496 -5.791 -7.327 1.00 0.00 C ATOM 300 CG LYS A 38 -12.137 -5.239 -7.790 1.00 0.00 C ATOM 301 CD LYS A 38 -12.222 -4.850 -9.267 1.00 0.00 C ATOM 302 CE LYS A 38 -10.895 -4.383 -9.861 1.00 0.00 C ATOM 303 NZ LYS A 38 -9.882 -5.442 -9.803 1.00 0.00 N ATOM 0 H LYS A 38 -12.103 -4.972 -5.166 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.593 -6.496 -5.571 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.760 -6.633 -7.967 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.251 -5.021 -7.486 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.861 -4.372 -7.190 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.359 -5.988 -7.644 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.583 -5.705 -9.838 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.960 -4.056 -9.382 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.045 -4.077 -10.896 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.540 -3.507 -9.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.251 -5.364 -10.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.326 -5.343 -8.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.350 -6.371 -9.812 1.00 0.00 H new ATOM 304 N ASN A 39 -11.570 -7.642 -5.755 1.00 0.00 N ATOM 305 CA ASN A 39 -10.775 -8.878 -5.773 1.00 0.00 C ATOM 306 C ASN A 39 -9.543 -8.995 -4.849 1.00 0.00 C ATOM 307 O ASN A 39 -8.403 -9.099 -5.295 1.00 0.00 O ATOM 308 CB ASN A 39 -10.514 -9.302 -7.235 1.00 0.00 C ATOM 309 CG ASN A 39 -9.872 -8.257 -8.131 1.00 0.00 C ATOM 310 OD1 ASN A 39 -10.659 -7.821 -9.092 1.00 0.00 O flip ATOM 311 ND2 ASN A 39 -8.694 -7.925 -8.089 1.00 0.00 N flip ATOM 0 H ASN A 39 -11.004 -6.800 -5.859 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.409 -9.609 -5.272 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.876 -10.185 -7.227 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.463 -9.599 -7.681 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.094 -8.269 -7.340 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.313 -7.304 -8.803 1.00 0.00 H new ATOM 312 N MET A 40 -9.793 -8.897 -3.542 1.00 0.00 N ATOM 313 CA MET A 40 -8.824 -9.352 -2.530 1.00 0.00 C ATOM 314 C MET A 40 -9.290 -10.545 -1.719 1.00 0.00 C ATOM 315 O MET A 40 -10.414 -10.623 -1.223 1.00 0.00 O ATOM 316 CB MET A 40 -8.427 -8.245 -1.562 1.00 0.00 C ATOM 317 CG MET A 40 -9.595 -7.627 -0.800 1.00 0.00 C ATOM 318 SD MET A 40 -10.057 -8.427 0.778 1.00 0.00 S ATOM 319 CE MET A 40 -9.486 -7.154 1.888 1.00 0.00 C ATOM 0 H MET A 40 -10.653 -8.509 -3.155 1.00 0.00 H new ATOM 0 HA MET A 40 -7.961 -9.657 -3.122 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.712 -8.646 -0.844 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.915 -7.459 -2.117 1.00 0.00 H new ATOM 0 HG2 MET A 40 -9.355 -6.584 -0.596 1.00 0.00 H new ATOM 0 HG3 MET A 40 -10.468 -7.631 -1.453 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.778 -7.581 2.598 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.996 -6.366 1.316 1.00 0.00 H new ATOM 0 HE3 MET A 40 -10.335 -6.735 2.429 1.00 0.00 H new ATOM 320 N ILE A 41 -8.556 -11.600 -1.994 1.00 0.00 N ATOM 321 CA ILE A 41 -8.335 -12.650 -0.995 1.00 0.00 C ATOM 322 C ILE A 41 -6.833 -13.003 -0.957 1.00 0.00 C ATOM 323 O ILE A 41 -6.233 -13.328 -1.975 1.00 0.00 O ATOM 324 CB ILE A 41 -9.305 -13.812 -1.177 1.00 0.00 C ATOM 325 CG1 ILE A 41 -9.444 -14.477 0.198 1.00 0.00 C ATOM 326 CG2 ILE A 41 -8.969 -14.818 -2.292 1.00 0.00 C ATOM 327 CD1 ILE A 41 -10.611 -15.467 0.350 1.00 0.00 C ATOM 0 H ILE A 41 -8.100 -11.764 -2.892 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.575 -12.295 0.007 1.00 0.00 H new ATOM 0 HB ILE A 41 -10.251 -13.409 -1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -8.516 -15.003 0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.556 -13.695 0.949 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.732 -15.596 -2.322 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.940 -14.301 -3.251 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.997 -15.270 -2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.612 -15.876 1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.553 -14.950 0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.496 -16.278 -0.369 1.00 0.00 H new ATOM 328 N TYR A 42 -6.246 -12.801 0.214 1.00 0.00 N ATOM 329 CA TYR A 42 -4.778 -12.690 0.367 1.00 0.00 C ATOM 330 C TYR A 42 -4.285 -12.868 1.808 1.00 0.00 C ATOM 331 O TYR A 42 -5.002 -12.682 2.780 1.00 0.00 O ATOM 332 CB TYR A 42 -4.288 -11.329 -0.186 1.00 0.00 C ATOM 333 CG TYR A 42 -4.953 -10.041 0.306 1.00 0.00 C ATOM 334 CD1 TYR A 42 -5.846 -9.991 1.396 1.00 0.00 C ATOM 335 CD2 TYR A 42 -4.598 -8.888 -0.413 1.00 0.00 C ATOM 336 CE1 TYR A 42 -6.389 -8.754 1.793 1.00 0.00 C ATOM 337 CE2 TYR A 42 -5.138 -7.653 -0.036 1.00 0.00 C ATOM 338 CZ TYR A 42 -6.033 -7.602 1.064 1.00 0.00 C ATOM 339 OH TYR A 42 -6.502 -6.393 1.460 1.00 0.00 O ATOM 0 H TYR A 42 -6.760 -12.708 1.090 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.354 -13.514 -0.207 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -3.222 -11.251 0.030 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -4.392 -11.359 -1.271 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.112 -10.896 1.923 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.916 -8.954 -1.248 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.062 -8.690 2.635 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.878 -6.753 -0.574 1.00 0.00 H new ATOM 0 HH TYR A 42 -6.909 -5.934 0.696 1.00 0.00 H new ATOM 340 N THR A 43 -3.138 -13.521 1.872 1.00 0.00 N ATOM 341 CA THR A 43 -2.180 -13.388 2.976 1.00 0.00 C ATOM 342 C THR A 43 -0.803 -13.440 2.302 1.00 0.00 C ATOM 343 O THR A 43 -0.594 -14.260 1.405 1.00 0.00 O ATOM 344 CB THR A 43 -2.334 -14.476 4.037 1.00 0.00 C ATOM 345 OG1 THR A 43 -3.680 -14.461 4.515 1.00 0.00 O ATOM 346 CG2 THR A 43 -1.381 -14.223 5.205 1.00 0.00 C ATOM 0 H THR A 43 -2.833 -14.173 1.149 1.00 0.00 H new ATOM 0 HA THR A 43 -2.340 -12.461 3.527 1.00 0.00 H new ATOM 0 HB THR A 43 -2.096 -15.444 3.596 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.194 -13.787 4.024 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.504 -15.008 5.952 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.353 -14.225 4.843 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.605 -13.256 5.655 1.00 0.00 H new ATOM 347 N CYS A 44 0.052 -12.530 2.734 1.00 0.00 N ATOM 348 CA CYS A 44 1.268 -12.134 1.991 1.00 0.00 C ATOM 349 C CYS A 44 2.268 -13.216 1.576 1.00 0.00 C ATOM 350 O CYS A 44 3.204 -13.557 2.297 1.00 0.00 O ATOM 351 CB CYS A 44 2.012 -11.022 2.745 1.00 0.00 C ATOM 352 SG CYS A 44 3.312 -10.272 1.713 1.00 0.00 S ATOM 0 H CYS A 44 -0.066 -12.032 3.616 1.00 0.00 H new ATOM 0 HA CYS A 44 0.852 -11.804 1.039 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.303 -10.254 3.055 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.457 -11.431 3.653 1.00 0.00 H new ATOM 0 HG CYS A 44 2.773 -9.730 0.662 1.00 0.00 H new ATOM 353 N HIS A 45 1.938 -13.795 0.429 1.00 0.00 N ATOM 354 CA HIS A 45 2.916 -14.067 -0.621 1.00 0.00 C ATOM 355 C HIS A 45 3.121 -12.794 -1.443 1.00 0.00 C ATOM 356 O HIS A 45 2.284 -12.405 -2.256 1.00 0.00 O ATOM 357 CB HIS A 45 2.426 -15.270 -1.474 1.00 0.00 C ATOM 358 CG HIS A 45 2.783 -16.597 -0.790 1.00 0.00 C ATOM 359 ND1 HIS A 45 3.775 -17.391 -1.159 1.00 0.00 N ATOM 360 CD2 HIS A 45 2.245 -17.112 0.314 1.00 0.00 C ATOM 361 CE1 HIS A 45 3.850 -18.408 -0.319 1.00 0.00 C ATOM 362 NE2 HIS A 45 2.897 -18.233 0.597 1.00 0.00 N ATOM 0 H HIS A 45 0.989 -14.089 0.199 1.00 0.00 H new ATOM 0 HA HIS A 45 3.884 -14.345 -0.203 1.00 0.00 H new ATOM 0 HB2 HIS A 45 1.347 -15.207 -1.616 1.00 0.00 H new ATOM 0 HB3 HIS A 45 2.881 -15.231 -2.464 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.425 -16.693 0.878 1.00 0.00 H new ATOM 0 HE1 HIS A 45 4.552 -19.228 -0.366 1.00 0.00 H new ATOM 0 HE2 HIS A 45 2.702 -18.855 1.382 1.00 0.00 H new ATOM 363 N ARG A 46 4.194 -12.091 -1.088 1.00 0.00 N ATOM 364 CA ARG A 46 5.528 -12.717 -0.965 1.00 0.00 C ATOM 365 C ARG A 46 5.870 -13.105 0.489 1.00 0.00 C ATOM 366 O ARG A 46 5.914 -14.292 0.811 1.00 0.00 O ATOM 367 CB ARG A 46 6.634 -11.805 -1.543 1.00 0.00 C ATOM 368 CG ARG A 46 6.292 -11.198 -2.906 1.00 0.00 C ATOM 369 CD ARG A 46 7.503 -10.486 -3.523 1.00 0.00 C ATOM 370 NE ARG A 46 7.088 -9.741 -4.720 1.00 0.00 N ATOM 371 CZ ARG A 46 7.857 -9.362 -5.742 1.00 0.00 C ATOM 372 NH1 ARG A 46 9.158 -9.633 -5.801 1.00 0.00 N ATOM 373 NH2 ARG A 46 7.337 -8.624 -6.709 1.00 0.00 N ATOM 0 H ARG A 46 4.177 -11.093 -0.879 1.00 0.00 H new ATOM 0 HA ARG A 46 5.486 -13.636 -1.550 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.831 -10.998 -0.837 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.555 -12.381 -1.634 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.948 -11.983 -3.579 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.470 -10.491 -2.795 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.945 -9.805 -2.796 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.270 -11.215 -3.785 1.00 0.00 H new ATOM 0 HE ARG A 46 6.102 -9.485 -4.775 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.606 -10.151 -5.045 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.708 -9.323 -6.603 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.355 -8.349 -6.669 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.918 -8.330 -7.494 1.00 0.00 H new ATOM 374 N ASP A 47 6.334 -12.140 1.260 1.00 0.00 N ATOM 375 CA ASP A 47 6.425 -12.178 2.731 1.00 0.00 C ATOM 376 C ASP A 47 5.915 -10.824 3.258 1.00 0.00 C ATOM 377 O ASP A 47 6.083 -9.817 2.575 1.00 0.00 O ATOM 378 CB ASP A 47 7.850 -12.489 3.212 1.00 0.00 C ATOM 379 CG ASP A 47 8.977 -11.587 2.678 1.00 0.00 C ATOM 380 OD1 ASP A 47 8.699 -10.404 2.361 1.00 0.00 O ATOM 381 OD2 ASP A 47 10.110 -12.098 2.582 1.00 0.00 O ATOM 0 H ASP A 47 6.677 -11.261 0.872 1.00 0.00 H new ATOM 0 HA ASP A 47 5.809 -12.987 3.125 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.860 -12.436 4.301 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.082 -13.519 2.941 1.00 0.00 H new ATOM 382 N LYS A 48 5.558 -10.713 4.523 1.00 0.00 N ATOM 383 CA LYS A 48 5.013 -9.437 5.030 1.00 0.00 C ATOM 384 C LYS A 48 6.088 -8.445 5.533 1.00 0.00 C ATOM 385 O LYS A 48 5.799 -7.460 6.201 1.00 0.00 O ATOM 386 CB LYS A 48 3.874 -9.605 6.032 1.00 0.00 C ATOM 387 CG LYS A 48 4.116 -10.673 7.104 1.00 0.00 C ATOM 388 CD LYS A 48 3.005 -10.635 8.171 1.00 0.00 C ATOM 389 CE LYS A 48 1.615 -10.985 7.624 1.00 0.00 C ATOM 390 NZ LYS A 48 0.599 -10.686 8.638 1.00 0.00 N ATOM 0 H LYS A 48 5.627 -11.460 5.214 1.00 0.00 H new ATOM 0 HA LYS A 48 4.573 -8.976 4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.698 -8.649 6.525 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.964 -9.856 5.488 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.149 -11.659 6.641 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.085 -10.510 7.575 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.257 -11.331 8.971 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.972 -9.639 8.614 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.416 -10.415 6.716 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.574 -12.040 7.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.343 -10.924 8.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.786 -11.248 9.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.632 -9.674 8.875 1.00 0.00 H new ATOM 391 N ASN A 49 7.282 -8.614 4.975 1.00 0.00 N ATOM 392 CA ASN A 49 8.422 -7.683 4.994 1.00 0.00 C ATOM 393 C ASN A 49 8.855 -7.294 3.553 1.00 0.00 C ATOM 394 O ASN A 49 10.032 -7.141 3.240 1.00 0.00 O ATOM 395 CB ASN A 49 9.583 -8.323 5.784 1.00 0.00 C ATOM 396 CG ASN A 49 10.062 -9.661 5.192 1.00 0.00 C ATOM 397 OD1 ASN A 49 9.443 -10.706 5.365 1.00 0.00 O ATOM 398 ND2 ASN A 49 11.039 -9.612 4.319 1.00 0.00 N ATOM 0 H ASN A 49 7.502 -9.465 4.458 1.00 0.00 H new ATOM 0 HA ASN A 49 8.125 -6.759 5.490 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.421 -7.626 5.812 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.266 -8.483 6.815 1.00 0.00 H new ATOM 0 HD21 ASN A 49 11.286 -10.444 3.782 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.552 -8.742 4.177 1.00 0.00 H new ATOM 399 N CYS A 50 7.831 -7.098 2.728 1.00 0.00 N ATOM 400 CA CYS A 50 7.891 -6.914 1.256 1.00 0.00 C ATOM 401 C CYS A 50 7.755 -5.445 0.862 1.00 0.00 C ATOM 402 O CYS A 50 6.659 -4.905 0.899 1.00 0.00 O ATOM 403 CB CYS A 50 6.698 -7.745 0.743 1.00 0.00 C ATOM 404 SG CYS A 50 6.351 -8.156 -0.987 1.00 0.00 S ATOM 0 H CYS A 50 6.873 -7.059 3.076 1.00 0.00 H new ATOM 0 HA CYS A 50 8.845 -7.230 0.833 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.758 -8.700 1.266 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.806 -7.236 1.109 1.00 0.00 H new ATOM 0 HG CYS A 50 5.625 -9.233 -1.040 1.00 0.00 H new ATOM 405 N VAL A 51 8.873 -4.769 0.588 1.00 0.00 N ATOM 406 CA VAL A 51 9.906 -4.334 1.576 1.00 0.00 C ATOM 407 C VAL A 51 9.950 -2.807 1.782 1.00 0.00 C ATOM 408 O VAL A 51 10.671 -2.290 2.621 1.00 0.00 O ATOM 409 CB VAL A 51 11.315 -4.701 1.060 1.00 0.00 C ATOM 410 CG1 VAL A 51 12.384 -4.575 2.137 1.00 0.00 C ATOM 411 CG2 VAL A 51 11.430 -6.147 0.667 1.00 0.00 C ATOM 0 H VAL A 51 9.109 -4.490 -0.364 1.00 0.00 H new ATOM 0 HA VAL A 51 9.637 -4.833 2.507 1.00 0.00 H new ATOM 0 HB VAL A 51 11.458 -4.014 0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.354 -4.845 1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 51 12.417 -3.547 2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.147 -5.243 2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.441 -6.348 0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.216 -6.777 1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.716 -6.366 -0.127 1.00 0.00 H new ATOM 412 N ILE A 52 8.948 -2.167 1.231 1.00 0.00 N ATOM 413 CA ILE A 52 9.101 -0.869 0.533 1.00 0.00 C ATOM 414 C ILE A 52 9.711 0.268 1.382 1.00 0.00 C ATOM 415 O ILE A 52 9.065 0.971 2.156 1.00 0.00 O ATOM 416 CB ILE A 52 8.025 -0.481 -0.457 1.00 0.00 C ATOM 417 CG1 ILE A 52 6.943 -1.541 -0.736 1.00 0.00 C ATOM 418 CG2 ILE A 52 8.777 -0.131 -1.751 1.00 0.00 C ATOM 419 CD1 ILE A 52 7.394 -2.842 -1.392 1.00 0.00 C ATOM 0 H ILE A 52 7.989 -2.516 1.242 1.00 0.00 H new ATOM 0 HA ILE A 52 9.905 -1.092 -0.169 1.00 0.00 H new ATOM 0 HB ILE A 52 7.452 0.344 -0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.461 -1.789 0.210 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.182 -1.088 -1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.062 0.161 -2.520 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.463 0.694 -1.561 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.340 -1.000 -2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.534 -3.497 -1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.844 -2.624 -2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.127 -3.336 -0.754 1.00 0.00 H new ATOM 420 N ASN A 53 11.044 0.210 1.327 1.00 0.00 N ATOM 421 CA ASN A 53 11.987 1.266 1.743 1.00 0.00 C ATOM 422 C ASN A 53 12.799 1.595 0.456 1.00 0.00 C ATOM 423 O ASN A 53 12.192 1.842 -0.588 1.00 0.00 O ATOM 424 CB ASN A 53 12.846 0.778 2.925 1.00 0.00 C ATOM 425 CG ASN A 53 13.802 -0.369 2.548 1.00 0.00 C ATOM 426 OD1 ASN A 53 15.022 -0.255 2.604 1.00 0.00 O ATOM 427 ND2 ASN A 53 13.268 -1.395 1.964 1.00 0.00 N ATOM 0 H ASN A 53 11.526 -0.616 0.973 1.00 0.00 H new ATOM 0 HA ASN A 53 11.503 2.168 2.118 1.00 0.00 H new ATOM 0 HB2 ASN A 53 13.428 1.614 3.313 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.190 0.446 3.730 1.00 0.00 H new ATOM 0 HD21 ASN A 53 13.863 -2.112 1.548 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.253 -1.486 1.920 1.00 0.00 H new ATOM 428 N LYS A 54 14.133 1.567 0.500 1.00 0.00 N ATOM 429 CA LYS A 54 14.962 1.611 -0.711 1.00 0.00 C ATOM 430 C LYS A 54 15.870 0.409 -1.051 1.00 0.00 C ATOM 431 O LYS A 54 16.223 0.221 -2.212 1.00 0.00 O ATOM 432 CB LYS A 54 15.762 2.929 -0.766 1.00 0.00 C ATOM 433 CG LYS A 54 14.823 4.132 -0.672 1.00 0.00 C ATOM 434 CD LYS A 54 14.622 4.930 -1.979 1.00 0.00 C ATOM 435 CE LYS A 54 13.795 4.238 -3.073 1.00 0.00 C ATOM 436 NZ LYS A 54 12.429 3.948 -2.613 1.00 0.00 N ATOM 0 H LYS A 54 14.667 1.514 1.367 1.00 0.00 H new ATOM 0 HA LYS A 54 14.212 1.547 -1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 54 16.482 2.958 0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 54 16.331 2.977 -1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.849 3.783 -0.328 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.207 4.810 0.090 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.141 5.877 -1.732 1.00 0.00 H new ATOM 0 HD3 LYS A 54 15.603 5.168 -2.390 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.755 4.874 -3.957 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.285 3.310 -3.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.768 4.038 -3.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.388 2.979 -2.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.164 4.621 -1.866 1.00 0.00 H new ATOM 437 N VAL A 55 15.972 -0.550 -0.129 1.00 0.00 N ATOM 438 CA VAL A 55 16.609 -1.857 -0.362 1.00 0.00 C ATOM 439 C VAL A 55 15.441 -2.862 -0.382 1.00 0.00 C ATOM 440 O VAL A 55 14.948 -3.336 0.654 1.00 0.00 O ATOM 441 CB VAL A 55 17.541 -2.184 0.800 1.00 0.00 C ATOM 442 CG1 VAL A 55 18.234 -3.526 0.555 1.00 0.00 C ATOM 443 CG2 VAL A 55 18.633 -1.144 1.051 1.00 0.00 C ATOM 0 H VAL A 55 15.609 -0.443 0.818 1.00 0.00 H new ATOM 0 HA VAL A 55 17.196 -1.878 -1.280 1.00 0.00 H new ATOM 0 HB VAL A 55 16.896 -2.204 1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 55 18.897 -3.751 1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 55 17.484 -4.312 0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 55 18.815 -3.473 -0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 55 19.248 -1.458 1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 55 19.257 -1.050 0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 55 18.174 -0.181 1.276 1.00 0.00 H new ATOM 444 N THR A 56 14.782 -2.660 -1.499 1.00 0.00 N ATOM 445 CA THR A 56 13.330 -2.889 -1.605 1.00 0.00 C ATOM 446 C THR A 56 12.690 -3.782 -2.700 1.00 0.00 C ATOM 447 O THR A 56 13.200 -4.846 -3.059 1.00 0.00 O ATOM 448 CB THR A 56 12.812 -1.450 -1.546 1.00 0.00 C ATOM 449 OG1 THR A 56 11.493 -1.456 -1.054 1.00 0.00 O ATOM 450 CG2 THR A 56 12.828 -0.640 -2.831 1.00 0.00 C ATOM 0 H THR A 56 15.218 -2.335 -2.362 1.00 0.00 H new ATOM 0 HA THR A 56 13.020 -3.576 -0.818 1.00 0.00 H new ATOM 0 HB THR A 56 13.528 -0.949 -0.894 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.439 -2.040 -0.269 1.00 0.00 H new ATOM 0 HG21 THR A 56 12.433 0.357 -2.637 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.851 -0.560 -3.198 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.211 -1.135 -3.581 1.00 0.00 H new ATOM 451 N ARG A 57 11.388 -3.494 -2.814 1.00 0.00 N ATOM 452 CA ARG A 57 10.320 -3.905 -3.756 1.00 0.00 C ATOM 453 C ARG A 57 10.732 -4.916 -4.863 1.00 0.00 C ATOM 454 O ARG A 57 11.379 -4.564 -5.836 1.00 0.00 O ATOM 455 CB ARG A 57 9.593 -2.652 -4.184 1.00 0.00 C ATOM 456 CG ARG A 57 10.401 -1.710 -5.097 1.00 0.00 C ATOM 457 CD ARG A 57 9.755 -0.349 -5.321 1.00 0.00 C ATOM 458 NE ARG A 57 10.756 0.513 -5.957 1.00 0.00 N ATOM 459 CZ ARG A 57 11.394 1.560 -5.413 1.00 0.00 C ATOM 460 NH1 ARG A 57 11.108 2.029 -4.207 1.00 0.00 N ATOM 461 NH2 ARG A 57 12.477 2.051 -5.994 1.00 0.00 N ATOM 0 H ARG A 57 10.985 -2.855 -2.128 1.00 0.00 H new ATOM 0 HA ARG A 57 9.606 -4.552 -3.246 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.678 -2.940 -4.703 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.294 -2.101 -3.292 1.00 0.00 H new ATOM 0 HG2 ARG A 57 11.390 -1.563 -4.663 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.545 -2.194 -6.063 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.872 -0.443 -5.953 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.425 0.080 -4.375 1.00 0.00 H new ATOM 0 HE ARG A 57 10.995 0.291 -6.924 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.375 1.591 -3.650 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.621 2.828 -3.836 1.00 0.00 H new ATOM 0 HH21 ARG A 57 12.827 1.633 -6.856 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.962 2.847 -5.580 1.00 0.00 H new ATOM 462 N ASN A 58 10.395 -6.207 -4.729 1.00 0.00 N ATOM 463 CA ASN A 58 9.666 -6.905 -3.637 1.00 0.00 C ATOM 464 C ASN A 58 8.328 -6.336 -3.153 1.00 0.00 C ATOM 465 O ASN A 58 8.199 -5.832 -2.043 1.00 0.00 O ATOM 466 CB ASN A 58 10.583 -7.107 -2.431 1.00 0.00 C ATOM 467 CG ASN A 58 11.660 -8.196 -2.617 1.00 0.00 C ATOM 468 OD1 ASN A 58 12.531 -8.327 -1.641 1.00 0.00 O flip ATOM 469 ND2 ASN A 58 11.683 -8.956 -3.566 1.00 0.00 N flip ATOM 0 H ASN A 58 10.651 -6.870 -5.461 1.00 0.00 H new ATOM 0 HA ASN A 58 9.380 -7.837 -4.124 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.076 -6.162 -2.204 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.972 -7.363 -1.566 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.005 -8.850 -4.321 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.380 -9.699 -3.607 1.00 0.00 H new ATOM 470 N ARG A 59 7.363 -6.286 -4.065 1.00 0.00 N ATOM 471 CA ARG A 59 6.044 -5.756 -3.749 1.00 0.00 C ATOM 472 C ARG A 59 4.965 -6.810 -4.089 1.00 0.00 C ATOM 473 O ARG A 59 5.038 -7.555 -5.063 1.00 0.00 O ATOM 474 CB ARG A 59 5.807 -4.433 -4.460 1.00 0.00 C ATOM 475 CG ARG A 59 4.397 -3.819 -4.409 1.00 0.00 C ATOM 476 CD ARG A 59 3.996 -3.444 -2.970 1.00 0.00 C ATOM 477 NE ARG A 59 2.630 -2.898 -2.911 1.00 0.00 N ATOM 478 CZ ARG A 59 2.292 -1.616 -3.057 1.00 0.00 C ATOM 479 NH1 ARG A 59 3.176 -0.683 -3.378 1.00 0.00 N ATOM 480 NH2 ARG A 59 1.111 -1.178 -2.631 1.00 0.00 N ATOM 0 H ARG A 59 7.470 -6.606 -5.028 1.00 0.00 H new ATOM 0 HA ARG A 59 5.982 -5.549 -2.681 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.502 -3.703 -4.045 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.074 -4.567 -5.508 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.363 -2.931 -5.040 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.676 -4.528 -4.816 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.064 -4.325 -2.332 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.699 -2.710 -2.576 1.00 0.00 H new ATOM 0 HE ARG A 59 1.873 -3.561 -2.743 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.154 -0.935 -3.523 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.879 0.287 -3.481 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.457 -1.824 -2.189 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.859 -0.196 -2.746 1.00 0.00 H new ATOM 481 N CYS A 60 3.930 -6.775 -3.256 1.00 0.00 N ATOM 482 CA CYS A 60 2.806 -7.731 -3.242 1.00 0.00 C ATOM 483 C CYS A 60 1.534 -6.973 -2.810 1.00 0.00 C ATOM 484 O CYS A 60 1.593 -5.817 -2.404 1.00 0.00 O ATOM 485 CB CYS A 60 3.162 -8.806 -2.217 1.00 0.00 C ATOM 486 SG CYS A 60 1.884 -9.638 -1.239 1.00 0.00 S ATOM 0 H CYS A 60 3.839 -6.054 -2.540 1.00 0.00 H new ATOM 0 HA CYS A 60 2.630 -8.182 -4.218 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.710 -9.583 -2.750 1.00 0.00 H new ATOM 0 HB3 CYS A 60 3.857 -8.353 -1.510 1.00 0.00 H new ATOM 0 HG CYS A 60 1.651 -10.815 -1.740 1.00 0.00 H new ATOM 487 N GLN A 61 0.404 -7.681 -2.859 1.00 0.00 N ATOM 488 CA GLN A 61 -0.850 -7.161 -2.294 1.00 0.00 C ATOM 489 C GLN A 61 -0.890 -6.860 -0.802 1.00 0.00 C ATOM 490 O GLN A 61 -0.437 -5.801 -0.379 1.00 0.00 O ATOM 491 CB GLN A 61 -2.121 -7.917 -2.718 1.00 0.00 C ATOM 492 CG GLN A 61 -1.989 -9.330 -3.303 1.00 0.00 C ATOM 493 CD GLN A 61 -1.266 -10.355 -2.412 1.00 0.00 C ATOM 494 OE1 GLN A 61 -1.305 -10.351 -1.188 1.00 0.00 O ATOM 495 NE2 GLN A 61 -0.570 -11.272 -3.040 1.00 0.00 N ATOM 0 H GLN A 61 0.327 -8.607 -3.279 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.851 -6.184 -2.777 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.771 -7.982 -1.845 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.638 -7.303 -3.456 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.988 -9.707 -3.523 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.458 -9.262 -4.252 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.536 -11.277 -4.059 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.063 -11.980 -2.509 1.00 0.00 H new ATOM 496 N TYR A 62 -1.181 -7.879 -0.011 1.00 0.00 N ATOM 497 CA TYR A 62 -1.517 -7.748 1.417 1.00 0.00 C ATOM 498 C TYR A 62 -0.517 -6.966 2.254 1.00 0.00 C ATOM 499 O TYR A 62 -0.890 -5.963 2.852 1.00 0.00 O ATOM 500 CB TYR A 62 -1.734 -9.187 1.954 1.00 0.00 C ATOM 501 CG TYR A 62 -2.020 -9.340 3.450 1.00 0.00 C ATOM 502 CD1 TYR A 62 -0.960 -9.272 4.377 1.00 0.00 C ATOM 503 CD2 TYR A 62 -3.344 -9.619 3.874 1.00 0.00 C ATOM 504 CE1 TYR A 62 -1.221 -9.460 5.737 1.00 0.00 C ATOM 505 CE2 TYR A 62 -3.606 -9.807 5.244 1.00 0.00 C ATOM 506 CZ TYR A 62 -2.538 -9.726 6.161 1.00 0.00 C ATOM 507 OH TYR A 62 -2.742 -10.005 7.471 1.00 0.00 O ATOM 0 H TYR A 62 -1.194 -8.844 -0.340 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.418 -7.141 1.505 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.564 -9.631 1.404 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.846 -9.773 1.718 1.00 0.00 H new ATOM 0 HD1 TYR A 62 0.047 -9.076 4.039 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.144 -9.687 3.152 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.419 -9.402 6.458 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.610 -10.010 5.588 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.696 -10.168 7.626 1.00 0.00 H new ATOM 508 N CYS A 63 0.757 -7.191 1.969 1.00 0.00 N ATOM 509 CA CYS A 63 1.874 -6.528 2.683 1.00 0.00 C ATOM 510 C CYS A 63 1.754 -5.007 2.721 1.00 0.00 C ATOM 511 O CYS A 63 1.549 -4.426 3.789 1.00 0.00 O ATOM 512 CB CYS A 63 3.181 -6.915 1.966 1.00 0.00 C ATOM 513 SG CYS A 63 3.242 -6.447 0.209 1.00 0.00 S ATOM 0 H CYS A 63 1.061 -7.835 1.239 1.00 0.00 H new ATOM 0 HA CYS A 63 1.856 -6.863 3.720 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.018 -6.446 2.484 1.00 0.00 H new ATOM 0 HB3 CYS A 63 3.320 -7.993 2.047 1.00 0.00 H new ATOM 0 HG CYS A 63 4.344 -6.889 -0.320 1.00 0.00 H new ATOM 514 N ARG A 64 1.584 -4.422 1.537 1.00 0.00 N ATOM 515 CA ARG A 64 1.492 -2.960 1.389 1.00 0.00 C ATOM 516 C ARG A 64 0.108 -2.473 0.945 1.00 0.00 C ATOM 517 O ARG A 64 -0.093 -1.266 0.868 1.00 0.00 O ATOM 518 CB ARG A 64 2.603 -2.434 0.488 1.00 0.00 C ATOM 519 CG ARG A 64 4.015 -2.871 0.902 1.00 0.00 C ATOM 520 CD ARG A 64 4.440 -2.316 2.262 1.00 0.00 C ATOM 521 NE ARG A 64 5.692 -2.943 2.708 1.00 0.00 N ATOM 522 CZ ARG A 64 6.737 -2.347 3.296 1.00 0.00 C ATOM 523 NH1 ARG A 64 6.804 -1.028 3.464 1.00 0.00 N ATOM 524 NH2 ARG A 64 7.598 -3.077 3.987 1.00 0.00 N ATOM 0 H ARG A 64 1.506 -4.936 0.659 1.00 0.00 H new ATOM 0 HA ARG A 64 1.634 -2.539 2.384 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.416 -2.770 -0.532 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.561 -1.345 0.478 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.058 -3.960 0.931 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.727 -2.544 0.144 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.571 -1.236 2.195 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.655 -2.497 2.996 1.00 0.00 H new ATOM 0 HE ARG A 64 5.774 -3.948 2.552 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.041 -0.433 3.140 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.618 -0.612 3.917 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.462 -4.085 4.068 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.397 -2.632 4.438 1.00 0.00 H new ATOM 525 N LEU A 65 -0.880 -3.368 0.870 1.00 0.00 N ATOM 526 CA LEU A 65 -2.265 -2.948 1.154 1.00 0.00 C ATOM 527 C LEU A 65 -2.294 -2.487 2.610 1.00 0.00 C ATOM 528 O LEU A 65 -2.307 -1.295 2.855 1.00 0.00 O ATOM 529 CB LEU A 65 -3.286 -4.087 1.087 1.00 0.00 C ATOM 530 CG LEU A 65 -4.290 -4.204 -0.033 1.00 0.00 C ATOM 531 CD1 LEU A 65 -4.844 -2.863 -0.488 1.00 0.00 C ATOM 532 CD2 LEU A 65 -3.765 -4.892 -1.284 1.00 0.00 C ATOM 0 H LEU A 65 -0.762 -4.351 0.626 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.527 -2.195 0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.718 -5.017 1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.856 -4.052 2.016 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.069 -4.815 0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.560 -3.020 -1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.342 -2.372 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.028 -2.234 -0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.554 -4.932 -2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.916 -4.333 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.449 -5.905 -1.036 1.00 0.00 H new ATOM 533 N GLN A 66 -1.780 -3.387 3.452 1.00 0.00 N ATOM 534 CA GLN A 66 -1.890 -3.335 4.908 1.00 0.00 C ATOM 535 C GLN A 66 -0.890 -2.394 5.616 1.00 0.00 C ATOM 536 O GLN A 66 -1.266 -1.722 6.572 1.00 0.00 O ATOM 537 CB GLN A 66 -2.009 -4.750 5.454 1.00 0.00 C ATOM 538 CG GLN A 66 -3.506 -5.123 5.460 1.00 0.00 C ATOM 539 CD GLN A 66 -4.043 -5.640 4.118 1.00 0.00 C ATOM 540 OE1 GLN A 66 -3.599 -6.647 3.578 1.00 0.00 O ATOM 541 NE2 GLN A 66 -5.067 -5.028 3.576 1.00 0.00 N ATOM 0 H GLN A 66 -1.258 -4.200 3.125 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.817 -2.822 5.166 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.443 -5.448 4.837 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.596 -4.808 6.461 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.674 -5.885 6.221 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.084 -4.247 5.754 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.449 -4.189 4.012 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.482 -5.391 2.718 1.00 0.00 H new ATOM 542 N LYS A 67 0.300 -2.246 5.054 1.00 0.00 N ATOM 543 CA LYS A 67 1.212 -1.167 5.495 1.00 0.00 C ATOM 544 C LYS A 67 0.914 0.232 4.934 1.00 0.00 C ATOM 545 O LYS A 67 1.008 1.196 5.685 1.00 0.00 O ATOM 546 CB LYS A 67 2.684 -1.568 5.340 1.00 0.00 C ATOM 547 CG LYS A 67 3.025 -2.730 6.276 1.00 0.00 C ATOM 548 CD LYS A 67 4.528 -3.021 6.301 1.00 0.00 C ATOM 549 CE LYS A 67 4.815 -4.227 7.183 1.00 0.00 C ATOM 550 NZ LYS A 67 6.269 -4.409 7.319 1.00 0.00 N ATOM 0 H LYS A 67 0.664 -2.838 4.307 1.00 0.00 H new ATOM 0 HA LYS A 67 1.003 -1.056 6.559 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.882 -1.855 4.307 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.325 -0.715 5.562 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.684 -2.496 7.284 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.488 -3.623 5.957 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.886 -3.208 5.289 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.068 -2.151 6.675 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.363 -4.087 8.165 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.366 -5.121 6.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.531 -5.363 6.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.763 -3.701 6.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.542 -4.292 8.316 1.00 0.00 H new ATOM 551 N CYS A 68 0.405 0.338 3.707 1.00 0.00 N ATOM 552 CA CYS A 68 -0.190 1.613 3.251 1.00 0.00 C ATOM 553 C CYS A 68 -1.476 1.958 4.023 1.00 0.00 C ATOM 554 O CYS A 68 -1.668 3.095 4.453 1.00 0.00 O ATOM 555 CB CYS A 68 -0.406 1.656 1.736 1.00 0.00 C ATOM 556 SG CYS A 68 1.130 1.537 0.749 1.00 0.00 S ATOM 0 H CYS A 68 0.387 -0.416 3.020 1.00 0.00 H new ATOM 0 HA CYS A 68 0.541 2.389 3.480 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -1.070 0.839 1.453 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -0.917 2.585 1.480 1.00 0.00 H new ATOM 0 HG CYS A 68 1.101 2.418 -0.206 1.00 0.00 H new ATOM 557 N PHE A 69 -2.258 0.921 4.318 1.00 0.00 N ATOM 558 CA PHE A 69 -3.365 0.911 5.297 1.00 0.00 C ATOM 559 C PHE A 69 -3.110 1.423 6.710 1.00 0.00 C ATOM 560 O PHE A 69 -4.038 1.831 7.397 1.00 0.00 O ATOM 561 CB PHE A 69 -3.994 -0.466 5.464 1.00 0.00 C ATOM 562 CG PHE A 69 -5.198 -0.709 4.560 1.00 0.00 C ATOM 563 CD1 PHE A 69 -6.290 0.175 4.753 1.00 0.00 C ATOM 564 CD2 PHE A 69 -5.280 -1.827 3.686 1.00 0.00 C ATOM 565 CE1 PHE A 69 -7.470 -0.025 4.011 1.00 0.00 C ATOM 566 CE2 PHE A 69 -6.461 -2.035 2.975 1.00 0.00 C ATOM 567 CZ PHE A 69 -7.498 -1.106 3.101 1.00 0.00 C ATOM 0 H PHE A 69 -2.138 0.016 3.863 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.017 1.638 4.813 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.240 -1.226 5.260 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.301 -0.591 6.502 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.218 0.989 5.459 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.444 -2.502 3.575 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.324 0.625 4.133 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.573 -2.900 2.337 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.367 -1.220 2.469 1.00 0.00 H new ATOM 568 N GLU A 70 -1.869 1.281 7.173 1.00 0.00 N ATOM 569 CA GLU A 70 -1.431 1.917 8.439 1.00 0.00 C ATOM 570 C GLU A 70 -1.732 3.431 8.508 1.00 0.00 C ATOM 571 O GLU A 70 -1.909 3.990 9.581 1.00 0.00 O ATOM 572 CB GLU A 70 0.060 1.678 8.622 1.00 0.00 C ATOM 573 CG GLU A 70 0.262 0.209 8.993 1.00 0.00 C ATOM 574 CD GLU A 70 1.699 -0.068 9.443 1.00 0.00 C ATOM 575 OE1 GLU A 70 2.560 -0.261 8.558 1.00 0.00 O ATOM 576 OE2 GLU A 70 1.907 -0.106 10.686 1.00 0.00 O ATOM 0 H GLU A 70 -1.145 0.738 6.703 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.004 1.457 9.244 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.599 1.917 7.705 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.457 2.326 9.403 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.428 -0.063 9.791 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.021 -0.419 8.136 1.00 0.00 H new ATOM 577 N VAL A 71 -1.879 4.013 7.317 1.00 0.00 N ATOM 578 CA VAL A 71 -2.250 5.429 7.131 1.00 0.00 C ATOM 579 C VAL A 71 -3.622 5.472 6.397 1.00 0.00 C ATOM 580 O VAL A 71 -3.755 6.148 5.385 1.00 0.00 O ATOM 581 CB VAL A 71 -1.099 6.132 6.397 1.00 0.00 C ATOM 582 CG1 VAL A 71 -1.318 7.654 6.353 1.00 0.00 C ATOM 583 CG2 VAL A 71 0.269 5.911 7.048 1.00 0.00 C ATOM 0 H VAL A 71 -1.743 3.513 6.438 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.386 5.969 8.068 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.101 5.691 5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.488 8.126 5.828 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.249 7.873 5.831 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.372 8.043 7.370 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.033 6.437 6.476 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.252 6.294 8.069 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.496 4.845 7.064 1.00 0.00 H new ATOM 584 N GLY A 72 -4.523 4.564 6.815 1.00 0.00 N ATOM 585 CA GLY A 72 -5.914 4.315 6.344 1.00 0.00 C ATOM 586 C GLY A 72 -6.418 5.204 5.211 1.00 0.00 C ATOM 587 O GLY A 72 -7.187 6.151 5.356 1.00 0.00 O ATOM 0 H GLY A 72 -4.279 3.918 7.566 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.984 3.277 6.020 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.588 4.430 7.193 1.00 0.00 H new ATOM 588 N MET A 73 -5.859 4.813 4.082 1.00 0.00 N ATOM 589 CA MET A 73 -6.185 5.310 2.735 1.00 0.00 C ATOM 590 C MET A 73 -7.590 4.729 2.529 1.00 0.00 C ATOM 591 O MET A 73 -7.849 3.564 2.837 1.00 0.00 O ATOM 592 CB MET A 73 -5.327 4.554 1.714 1.00 0.00 C ATOM 593 CG MET A 73 -4.070 3.837 2.206 1.00 0.00 C ATOM 594 SD MET A 73 -2.507 4.300 1.366 1.00 0.00 S ATOM 595 CE MET A 73 -2.873 3.907 -0.327 1.00 0.00 C ATOM 0 H MET A 73 -5.126 4.104 4.066 1.00 0.00 H new ATOM 0 HA MET A 73 -6.065 6.389 2.633 1.00 0.00 H new ATOM 0 HB2 MET A 73 -5.963 3.813 1.230 1.00 0.00 H new ATOM 0 HB3 MET A 73 -5.024 5.265 0.945 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.958 4.030 3.273 1.00 0.00 H new ATOM 0 HG3 MET A 73 -4.218 2.763 2.091 1.00 0.00 H new ATOM 0 HE1 MET A 73 -1.961 3.969 -0.920 1.00 0.00 H new ATOM 0 HE2 MET A 73 -3.277 2.896 -0.387 1.00 0.00 H new ATOM 0 HE3 MET A 73 -3.606 4.614 -0.714 1.00 0.00 H new ATOM 596 N SER A 74 -8.434 5.474 1.830 1.00 0.00 N ATOM 597 CA SER A 74 -9.794 4.973 1.645 1.00 0.00 C ATOM 598 C SER A 74 -10.242 4.453 0.282 1.00 0.00 C ATOM 599 O SER A 74 -11.241 4.856 -0.328 1.00 0.00 O ATOM 600 CB SER A 74 -10.827 5.944 2.254 1.00 0.00 C ATOM 601 OG SER A 74 -10.781 7.184 1.557 1.00 0.00 O ATOM 0 H SER A 74 -8.224 6.376 1.403 1.00 0.00 H new ATOM 0 HA SER A 74 -9.746 4.035 2.198 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.827 5.515 2.190 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.615 6.101 3.312 1.00 0.00 H new ATOM 0 HG SER A 74 -10.305 7.065 0.709 1.00 0.00 H new ATOM 602 N LYS A 75 -9.482 3.432 -0.072 1.00 0.00 N ATOM 603 CA LYS A 75 -10.083 2.122 -0.358 1.00 0.00 C ATOM 604 C LYS A 75 -9.865 1.316 0.911 1.00 0.00 C ATOM 605 O LYS A 75 -8.945 0.530 1.057 1.00 0.00 O ATOM 606 CB LYS A 75 -9.616 1.494 -1.668 1.00 0.00 C ATOM 607 CG LYS A 75 -9.811 2.430 -2.870 1.00 0.00 C ATOM 608 CD LYS A 75 -11.218 2.990 -3.098 1.00 0.00 C ATOM 609 CE LYS A 75 -12.233 1.986 -3.625 1.00 0.00 C ATOM 610 NZ LYS A 75 -13.406 2.685 -4.166 1.00 0.00 N ATOM 0 H LYS A 75 -8.467 3.472 -0.170 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.150 2.185 -0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.562 1.229 -1.585 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.165 0.568 -1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.126 3.271 -2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.511 1.892 -3.769 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.587 3.397 -2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.153 3.821 -3.801 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.777 1.371 -4.401 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.539 1.313 -2.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.254 2.404 -3.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.268 3.712 -4.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.528 2.434 -5.168 1.00 0.00 H new ATOM 611 N GLU A 76 -10.907 1.346 1.724 1.00 0.00 N ATOM 612 CA GLU A 76 -10.759 1.242 3.174 1.00 0.00 C ATOM 613 C GLU A 76 -11.276 -0.161 3.596 1.00 0.00 C ATOM 614 O GLU A 76 -10.616 -1.164 3.351 1.00 0.00 O ATOM 615 CB GLU A 76 -11.585 2.395 3.736 1.00 0.00 C ATOM 616 CG GLU A 76 -11.230 2.733 5.189 1.00 0.00 C ATOM 617 CD GLU A 76 -9.788 3.249 5.351 1.00 0.00 C ATOM 618 OE1 GLU A 76 -9.599 4.456 5.074 1.00 0.00 O ATOM 619 OE2 GLU A 76 -8.944 2.450 5.791 1.00 0.00 O ATOM 0 H GLU A 76 -11.872 1.442 1.407 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.737 1.322 3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.435 3.279 3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.643 2.140 3.676 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.924 3.487 5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.364 1.845 5.806 1.00 0.00 H new ATOM 620 N SER A 77 -12.549 -0.235 3.976 1.00 0.00 N ATOM 621 CA SER A 77 -13.306 -1.496 4.033 1.00 0.00 C ATOM 622 C SER A 77 -14.299 -1.391 2.874 1.00 0.00 C ATOM 623 O SER A 77 -15.462 -0.983 2.991 1.00 0.00 O ATOM 624 CB SER A 77 -14.003 -1.621 5.393 1.00 0.00 C ATOM 625 OG SER A 77 -14.742 -2.842 5.461 1.00 0.00 O ATOM 0 H SER A 77 -13.094 0.581 4.256 1.00 0.00 H new ATOM 0 HA SER A 77 -12.684 -2.386 3.937 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.263 -1.591 6.193 1.00 0.00 H new ATOM 0 HB3 SER A 77 -14.672 -0.774 5.546 1.00 0.00 H new ATOM 0 HG SER A 77 -15.700 -2.642 5.517 1.00 0.00 H new ATOM 626 N VAL A 78 -13.689 -1.586 1.720 1.00 0.00 N ATOM 627 CA VAL A 78 -14.202 -1.148 0.426 1.00 0.00 C ATOM 628 C VAL A 78 -14.678 -2.247 -0.511 1.00 0.00 C ATOM 629 O VAL A 78 -14.049 -3.283 -0.646 1.00 0.00 O ATOM 630 CB VAL A 78 -13.220 -0.127 -0.129 1.00 0.00 C ATOM 631 CG1 VAL A 78 -12.353 -0.534 -1.316 1.00 0.00 C ATOM 632 CG2 VAL A 78 -13.552 1.363 -0.093 1.00 0.00 C ATOM 0 H VAL A 78 -12.793 -2.069 1.650 1.00 0.00 H new ATOM 0 HA VAL A 78 -15.164 -0.653 0.559 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.565 -0.211 0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.707 0.298 -1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.741 -1.393 -1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -12.991 -0.798 -2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.731 1.929 -0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.465 1.546 -0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.698 1.678 0.940 1.00 0.00 H new ATOM 633 N ARG A 79 -15.940 -2.095 -0.896 1.00 0.00 N ATOM 634 CA ARG A 79 -16.855 -1.079 -0.347 1.00 0.00 C ATOM 635 C ARG A 79 -18.102 -1.727 0.294 1.00 0.00 C ATOM 636 O ARG A 79 -18.981 -2.222 -0.403 1.00 0.00 O ATOM 637 CB ARG A 79 -17.253 0.017 -1.337 1.00 0.00 C ATOM 638 CG ARG A 79 -17.200 1.292 -0.504 1.00 0.00 C ATOM 639 CD ARG A 79 -17.472 2.561 -1.327 1.00 0.00 C ATOM 640 NE ARG A 79 -16.291 3.441 -1.200 1.00 0.00 N ATOM 641 CZ ARG A 79 -15.565 3.935 -2.192 1.00 0.00 C ATOM 642 NH1 ARG A 79 -15.880 3.743 -3.465 1.00 0.00 N ATOM 643 NH2 ARG A 79 -14.405 4.533 -1.933 1.00 0.00 N ATOM 0 H ARG A 79 -16.372 -2.681 -1.611 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.281 -0.574 0.430 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -16.566 0.062 -2.182 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -18.249 -0.154 -1.745 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -17.932 1.224 0.301 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -16.219 1.373 -0.036 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -17.650 2.308 -2.372 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.367 3.067 -0.965 1.00 0.00 H new ATOM 0 HE ARG A 79 -16.006 3.693 -0.254 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -16.707 3.198 -3.709 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -15.295 4.140 -4.201 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -14.075 4.611 -0.971 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.846 4.913 -2.696 1.00 0.00 H new ATOM 644 N ASN A 80 -18.065 -1.816 1.621 1.00 0.00 N ATOM 645 CA ASN A 80 -19.132 -2.465 2.402 1.00 0.00 C ATOM 646 C ASN A 80 -19.792 -1.593 3.488 1.00 0.00 C ATOM 647 O ASN A 80 -20.911 -1.971 3.918 1.00 0.00 O ATOM 648 CB ASN A 80 -18.573 -3.786 2.956 1.00 0.00 C ATOM 649 CG ASN A 80 -17.352 -3.623 3.856 1.00 0.00 C ATOM 650 OD1 ASN A 80 -17.253 -2.725 4.691 1.00 0.00 O ATOM 651 ND2 ASN A 80 -16.361 -4.466 3.670 1.00 0.00 N ATOM 652 OXT ASN A 80 -19.186 -0.561 3.848 1.00 0.00 O ATOM 0 H ASN A 80 -17.303 -1.445 2.189 1.00 0.00 H new ATOM 0 HA ASN A 80 -19.966 -2.651 1.726 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -19.358 -4.292 3.517 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -18.310 -4.434 2.120 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -15.506 -4.377 4.219 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -16.447 -5.209 2.977 1.00 0.00 H new