USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1022 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 61 ASN : amide:sc= -0.518 X(o=-0.52,f=-0.12) USER MOD Set 1.2: A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 28 TYR OH : rot 80:sc= 0.564 USER MOD Set 2.2: A 47 SER OG : rot -111:sc= 1.79 USER MOD Set 3.1: A 19 SER OG : rot 170:sc=0.000192 USER MOD Set 3.2: A 21 MET CE :methyl 179:sc= -0.0863 (180deg=-0.0885) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HE2:sc= -0.779 K(o=-0.78,f=-1.8) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0299 USER MOD Single : A 31 SER OG : rot 180:sc= -0.188 USER MOD Single : A 32 ASN : amide:sc= -0.0426 X(o=-0.043,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A 35 ASN : amide:sc= -5.13! C(o=-5.1!,f=-8.1!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0348 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 9:sc= 0.719 USER MOD Single : A 48 SER OG : rot 110:sc= -0.745 USER MOD Single : A 52 THR OG1 : rot 27:sc= 0.305 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 56 THR OG1 : rot 150:sc= -0.237 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 164:sc= -1.92 (180deg=-2.62) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -1.06! USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -123:sc= -0.0533 (180deg=-0.514) USER MOD Single : A 72 HIS : no HD1:sc=-0.00443 X(o=-0.0044,f=-0.0046) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -1.51 X(o=-1.5,f=-1.1) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= -0.543 X(o=-0.54,f=-0.2) USER MOD Single : A 100 MET CE :methyl 141:sc= -2.58! (180deg=-8.29!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -113:sc= -1.35 (180deg=-5.31!) USER MOD Single : A 112 THR OG1 : rot -56:sc= 0.509 USER MOD Single : A 113 MET CE :methyl -142:sc= -1.09 (180deg=-4.3!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -2.46 K(o=-2.5,f=-1.5) USER MOD Single : A 122 THR OG1 : rot -24:sc= 0.477 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 172:sc= -0.0171 (180deg=-0.143) USER MOD Single : A 132 ASN : amide:sc= 0.745 K(o=0.75,f=-0.16) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot -23:sc= 1.88 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 12 6.854 0.227 2.357 1.00 73.42 N ATOM 2 CA SER A 12 5.436 0.333 2.683 1.00 64.30 C ATOM 3 C SER A 12 4.624 -0.710 1.921 1.00 21.24 C ATOM 4 O SER A 12 3.555 -0.414 1.390 1.00 34.04 O ATOM 5 CB SER A 12 4.920 1.735 2.357 1.00 40.50 C ATOM 6 OG SER A 12 3.916 2.135 3.274 1.00 41.23 O ATOM 0 HA SER A 12 5.319 0.150 3.751 1.00 64.30 H new ATOM 0 HB2 SER A 12 5.746 2.446 2.385 1.00 40.50 H new ATOM 0 HB3 SER A 12 4.519 1.752 1.344 1.00 40.50 H new ATOM 0 HG SER A 12 3.604 3.035 3.045 1.00 41.23 H new ATOM 12 N GLY A 13 5.141 -1.934 1.873 1.00 63.33 N ATOM 13 CA GLY A 13 4.452 -3.004 1.174 1.00 2.52 C ATOM 14 C GLY A 13 5.333 -4.219 0.961 1.00 13.24 C ATOM 15 O GLY A 13 6.541 -4.168 1.195 1.00 41.14 O ATOM 0 H GLY A 13 6.024 -2.204 2.305 1.00 63.33 H new ATOM 0 HA2 GLY A 13 3.568 -3.295 1.742 1.00 2.52 H new ATOM 0 HA3 GLY A 13 4.104 -2.638 0.208 1.00 2.52 H new ATOM 19 N LEU A 14 4.728 -5.315 0.519 1.00 74.52 N ATOM 20 CA LEU A 14 5.465 -6.551 0.276 1.00 55.11 C ATOM 21 C LEU A 14 5.475 -6.896 -1.210 1.00 11.51 C ATOM 22 O LEU A 14 4.822 -6.233 -2.016 1.00 45.54 O ATOM 23 CB LEU A 14 4.848 -7.701 1.074 1.00 73.13 C ATOM 24 CG LEU A 14 5.425 -7.935 2.470 1.00 64.10 C ATOM 25 CD1 LEU A 14 4.469 -8.765 3.311 1.00 34.52 C ATOM 26 CD2 LEU A 14 6.784 -8.614 2.378 1.00 3.21 C ATOM 0 H LEU A 14 3.729 -5.374 0.321 1.00 74.52 H new ATOM 0 HA LEU A 14 6.494 -6.401 0.602 1.00 55.11 H new ATOM 0 HB2 LEU A 14 3.778 -7.516 1.171 1.00 73.13 H new ATOM 0 HB3 LEU A 14 4.962 -8.619 0.497 1.00 73.13 H new ATOM 0 HG LEU A 14 5.556 -6.968 2.955 1.00 64.10 H new ATOM 0 HD11 LEU A 14 4.897 -8.921 4.301 1.00 34.52 H new ATOM 0 HD12 LEU A 14 3.518 -8.241 3.405 1.00 34.52 H new ATOM 0 HD13 LEU A 14 4.305 -9.730 2.830 1.00 34.52 H new ATOM 0 HD21 LEU A 14 7.180 -8.773 3.381 1.00 3.21 H new ATOM 0 HD22 LEU A 14 6.677 -9.574 1.874 1.00 3.21 H new ATOM 0 HD23 LEU A 14 7.469 -7.982 1.813 1.00 3.21 H new ATOM 38 N VAL A 15 6.218 -7.939 -1.565 1.00 43.31 N ATOM 39 CA VAL A 15 6.311 -8.374 -2.953 1.00 61.14 C ATOM 40 C VAL A 15 5.758 -9.785 -3.125 1.00 43.51 C ATOM 41 O VAL A 15 6.069 -10.697 -2.360 1.00 30.35 O ATOM 42 CB VAL A 15 7.767 -8.340 -3.456 1.00 75.23 C ATOM 43 CG1 VAL A 15 8.654 -9.215 -2.584 1.00 13.15 C ATOM 44 CG2 VAL A 15 7.837 -8.779 -4.911 1.00 45.42 C ATOM 0 H VAL A 15 6.764 -8.499 -0.910 1.00 43.31 H new ATOM 0 HA VAL A 15 5.714 -7.678 -3.543 1.00 61.14 H new ATOM 0 HB VAL A 15 8.132 -7.315 -3.391 1.00 75.23 H new ATOM 0 HG11 VAL A 15 9.678 -9.178 -2.955 1.00 13.15 H new ATOM 0 HG12 VAL A 15 8.627 -8.851 -1.557 1.00 13.15 H new ATOM 0 HG13 VAL A 15 8.294 -10.243 -2.615 1.00 13.15 H new ATOM 0 HG21 VAL A 15 8.872 -8.749 -5.251 1.00 45.42 H new ATOM 0 HG22 VAL A 15 7.454 -9.795 -5.003 1.00 45.42 H new ATOM 0 HG23 VAL A 15 7.235 -8.107 -5.523 1.00 45.42 H new ATOM 54 N PRO A 16 4.919 -9.970 -4.155 1.00 13.34 N ATOM 55 CA PRO A 16 4.305 -11.267 -4.452 1.00 62.33 C ATOM 56 C PRO A 16 5.319 -12.283 -4.969 1.00 14.21 C ATOM 57 O PRO A 16 5.408 -12.528 -6.172 1.00 50.52 O ATOM 58 CB PRO A 16 3.280 -10.934 -5.539 1.00 63.23 C ATOM 59 CG PRO A 16 3.806 -9.702 -6.191 1.00 1.13 C ATOM 60 CD PRO A 16 4.504 -8.927 -5.108 1.00 1.42 C ATOM 0 HA PRO A 16 3.870 -11.725 -3.564 1.00 62.33 H new ATOM 0 HB2 PRO A 16 3.183 -11.750 -6.255 1.00 63.23 H new ATOM 0 HB3 PRO A 16 2.291 -10.765 -5.112 1.00 63.23 H new ATOM 0 HG2 PRO A 16 4.495 -9.951 -6.998 1.00 1.13 H new ATOM 0 HG3 PRO A 16 2.998 -9.117 -6.630 1.00 1.13 H new ATOM 0 HD2 PRO A 16 5.359 -8.375 -5.497 1.00 1.42 H new ATOM 0 HD3 PRO A 16 3.839 -8.199 -4.643 1.00 1.42 H new ATOM 68 N ARG A 17 6.080 -12.871 -4.052 1.00 71.31 N ATOM 69 CA ARG A 17 7.088 -13.860 -4.416 1.00 34.00 C ATOM 70 C ARG A 17 7.077 -15.032 -3.439 1.00 31.10 C ATOM 71 O ARG A 17 8.093 -15.695 -3.238 1.00 24.21 O ATOM 72 CB ARG A 17 8.476 -13.218 -4.444 1.00 31.12 C ATOM 73 CG ARG A 17 8.715 -12.337 -5.659 1.00 2.00 C ATOM 74 CD ARG A 17 10.114 -12.533 -6.222 1.00 41.13 C ATOM 75 NE ARG A 17 10.322 -11.768 -7.449 1.00 5.55 N ATOM 76 CZ ARG A 17 9.788 -12.096 -8.619 1.00 54.44 C ATOM 77 NH1 ARG A 17 9.016 -13.169 -8.722 1.00 41.11 N ATOM 78 NH2 ARG A 17 10.024 -11.349 -9.691 1.00 13.15 N ATOM 0 H ARG A 17 6.018 -12.680 -3.052 1.00 71.31 H new ATOM 0 HA ARG A 17 6.849 -14.236 -5.411 1.00 34.00 H new ATOM 0 HB2 ARG A 17 8.609 -12.622 -3.541 1.00 31.12 H new ATOM 0 HB3 ARG A 17 9.231 -14.004 -4.421 1.00 31.12 H new ATOM 0 HG2 ARG A 17 7.977 -12.567 -6.427 1.00 2.00 H new ATOM 0 HG3 ARG A 17 8.575 -11.291 -5.385 1.00 2.00 H new ATOM 0 HD2 ARG A 17 10.850 -12.231 -5.477 1.00 41.13 H new ATOM 0 HD3 ARG A 17 10.279 -13.592 -6.422 1.00 41.13 H new ATOM 0 HE ARG A 17 10.910 -10.936 -7.404 1.00 5.55 H new ATOM 0 HH11 ARG A 17 8.831 -13.745 -7.901 1.00 41.11 H new ATOM 0 HH12 ARG A 17 8.607 -13.418 -9.622 1.00 41.11 H new ATOM 0 HH21 ARG A 17 10.616 -10.522 -9.616 1.00 13.15 H new ATOM 0 HH22 ARG A 17 9.613 -11.602 -10.590 1.00 13.15 H new ATOM 92 N GLY A 18 5.919 -15.281 -2.834 1.00 5.15 N ATOM 93 CA GLY A 18 5.798 -16.372 -1.885 1.00 22.14 C ATOM 94 C GLY A 18 6.570 -16.117 -0.605 1.00 43.44 C ATOM 95 O GLY A 18 7.738 -15.729 -0.644 1.00 60.11 O ATOM 0 H GLY A 18 5.063 -14.747 -2.984 1.00 5.15 H new ATOM 0 HA2 GLY A 18 4.746 -16.526 -1.646 1.00 22.14 H new ATOM 0 HA3 GLY A 18 6.159 -17.292 -2.346 1.00 22.14 H new ATOM 99 N SER A 19 5.917 -16.332 0.532 1.00 74.23 N ATOM 100 CA SER A 19 6.548 -16.117 1.829 1.00 75.43 C ATOM 101 C SER A 19 7.061 -14.686 1.953 1.00 72.03 C ATOM 102 O SER A 19 6.790 -13.841 1.099 1.00 40.11 O ATOM 103 CB SER A 19 7.700 -17.104 2.028 1.00 10.45 C ATOM 104 OG SER A 19 7.825 -17.472 3.391 1.00 23.20 O ATOM 0 H SER A 19 4.951 -16.655 0.582 1.00 74.23 H new ATOM 0 HA SER A 19 5.799 -16.283 2.603 1.00 75.43 H new ATOM 0 HB2 SER A 19 7.530 -17.994 1.422 1.00 10.45 H new ATOM 0 HB3 SER A 19 8.631 -16.656 1.682 1.00 10.45 H new ATOM 0 HG SER A 19 8.455 -18.218 3.472 1.00 23.20 H new ATOM 110 N HIS A 20 7.804 -14.421 3.023 1.00 73.03 N ATOM 111 CA HIS A 20 8.356 -13.092 3.260 1.00 63.13 C ATOM 112 C HIS A 20 9.878 -13.108 3.147 1.00 32.43 C ATOM 113 O HIS A 20 10.581 -13.270 4.144 1.00 64.32 O ATOM 114 CB HIS A 20 7.941 -12.583 4.640 1.00 13.40 C ATOM 115 CG HIS A 20 8.134 -13.588 5.733 1.00 72.41 C ATOM 116 ND1 HIS A 20 9.224 -13.583 6.577 1.00 44.33 N ATOM 117 CD2 HIS A 20 7.367 -14.635 6.119 1.00 52.32 C ATOM 118 CE1 HIS A 20 9.121 -14.583 7.433 1.00 33.13 C ATOM 119 NE2 HIS A 20 8.002 -15.237 7.177 1.00 11.31 N ATOM 0 H HIS A 20 8.038 -15.109 3.739 1.00 73.03 H new ATOM 0 HA HIS A 20 7.960 -12.420 2.499 1.00 63.13 H new ATOM 0 HB2 HIS A 20 8.516 -11.687 4.876 1.00 13.40 H new ATOM 0 HB3 HIS A 20 6.892 -12.289 4.609 1.00 13.40 H new ATOM 0 HD1 HIS A 20 9.991 -12.911 6.545 1.00 44.33 H new ATOM 0 HD2 HIS A 20 6.430 -14.940 5.677 1.00 52.32 H new ATOM 0 HE1 HIS A 20 9.831 -14.825 8.210 1.00 33.13 H new ATOM 127 N MET A 21 10.378 -12.940 1.928 1.00 70.55 N ATOM 128 CA MET A 21 11.816 -12.936 1.686 1.00 41.42 C ATOM 129 C MET A 21 12.278 -11.573 1.179 1.00 14.11 C ATOM 130 O MET A 21 13.439 -11.200 1.342 1.00 4.32 O ATOM 131 CB MET A 21 12.189 -14.022 0.675 1.00 54.44 C ATOM 132 CG MET A 21 11.631 -15.392 1.022 1.00 24.53 C ATOM 133 SD MET A 21 12.342 -16.068 2.536 1.00 53.52 S ATOM 134 CE MET A 21 10.922 -16.912 3.229 1.00 41.41 C ATOM 0 H MET A 21 9.809 -12.805 1.092 1.00 70.55 H new ATOM 0 HA MET A 21 12.318 -13.142 2.631 1.00 41.42 H new ATOM 0 HB2 MET A 21 11.826 -13.730 -0.310 1.00 54.44 H new ATOM 0 HB3 MET A 21 13.275 -14.087 0.608 1.00 54.44 H new ATOM 0 HG2 MET A 21 10.549 -15.322 1.133 1.00 24.53 H new ATOM 0 HG3 MET A 21 11.823 -16.078 0.197 1.00 24.53 H new ATOM 0 HE1 MET A 21 11.207 -17.397 4.162 1.00 41.41 H new ATOM 0 HE2 MET A 21 10.129 -16.190 3.423 1.00 41.41 H new ATOM 0 HE3 MET A 21 10.565 -17.663 2.524 1.00 41.41 H new ATOM 144 N VAL A 22 11.360 -10.834 0.563 1.00 3.43 N ATOM 145 CA VAL A 22 11.673 -9.512 0.033 1.00 3.25 C ATOM 146 C VAL A 22 10.493 -8.561 0.196 1.00 73.14 C ATOM 147 O VAL A 22 9.344 -8.993 0.296 1.00 41.25 O ATOM 148 CB VAL A 22 12.062 -9.581 -1.455 1.00 75.54 C ATOM 149 CG1 VAL A 22 12.701 -8.276 -1.902 1.00 51.34 C ATOM 150 CG2 VAL A 22 12.995 -10.756 -1.708 1.00 1.32 C ATOM 0 H VAL A 22 10.394 -11.128 0.419 1.00 3.43 H new ATOM 0 HA VAL A 22 12.521 -9.135 0.605 1.00 3.25 H new ATOM 0 HB VAL A 22 11.156 -9.733 -2.042 1.00 75.54 H new ATOM 0 HG11 VAL A 22 12.969 -8.344 -2.956 1.00 51.34 H new ATOM 0 HG12 VAL A 22 11.995 -7.458 -1.759 1.00 51.34 H new ATOM 0 HG13 VAL A 22 13.598 -8.089 -1.311 1.00 51.34 H new ATOM 0 HG21 VAL A 22 13.260 -10.789 -2.765 1.00 1.32 H new ATOM 0 HG22 VAL A 22 13.899 -10.638 -1.111 1.00 1.32 H new ATOM 0 HG23 VAL A 22 12.495 -11.684 -1.430 1.00 1.32 H new ATOM 160 N ARG A 23 10.783 -7.264 0.221 1.00 63.54 N ATOM 161 CA ARG A 23 9.746 -6.252 0.371 1.00 15.33 C ATOM 162 C ARG A 23 10.211 -4.909 -0.185 1.00 22.14 C ATOM 163 O ARG A 23 11.382 -4.549 -0.064 1.00 43.14 O ATOM 164 CB ARG A 23 9.361 -6.100 1.844 1.00 21.12 C ATOM 165 CG ARG A 23 10.332 -5.245 2.642 1.00 21.43 C ATOM 166 CD ARG A 23 9.907 -5.131 4.098 1.00 61.11 C ATOM 167 NE ARG A 23 9.338 -3.821 4.401 1.00 54.24 N ATOM 168 CZ ARG A 23 8.687 -3.544 5.525 1.00 33.40 C ATOM 169 NH1 ARG A 23 8.524 -4.482 6.448 1.00 1.14 N ATOM 170 NH2 ARG A 23 8.197 -2.328 5.728 1.00 42.12 N ATOM 0 H ARG A 23 11.728 -6.890 0.139 1.00 63.54 H new ATOM 0 HA ARG A 23 8.873 -6.577 -0.195 1.00 15.33 H new ATOM 0 HB2 ARG A 23 8.366 -5.660 1.907 1.00 21.12 H new ATOM 0 HB3 ARG A 23 9.302 -7.089 2.299 1.00 21.12 H new ATOM 0 HG2 ARG A 23 11.331 -5.678 2.586 1.00 21.43 H new ATOM 0 HG3 ARG A 23 10.391 -4.250 2.200 1.00 21.43 H new ATOM 0 HD2 ARG A 23 9.174 -5.906 4.323 1.00 61.11 H new ATOM 0 HD3 ARG A 23 10.768 -5.310 4.742 1.00 61.11 H new ATOM 0 HE ARG A 23 9.446 -3.077 3.711 1.00 54.24 H new ATOM 0 HH11 ARG A 23 8.899 -5.418 6.295 1.00 1.14 H new ATOM 0 HH12 ARG A 23 8.024 -4.267 7.311 1.00 1.14 H new ATOM 0 HH21 ARG A 23 8.320 -1.604 5.020 1.00 42.12 H new ATOM 0 HH22 ARG A 23 7.697 -2.117 6.592 1.00 42.12 H new ATOM 184 N ARG A 24 9.287 -4.174 -0.794 1.00 14.25 N ATOM 185 CA ARG A 24 9.603 -2.872 -1.369 1.00 73.35 C ATOM 186 C ARG A 24 9.821 -1.832 -0.275 1.00 14.12 C ATOM 187 O ARG A 24 8.939 -1.022 0.010 1.00 40.24 O ATOM 188 CB ARG A 24 8.480 -2.418 -2.304 1.00 13.14 C ATOM 189 CG ARG A 24 7.891 -3.542 -3.140 1.00 61.12 C ATOM 190 CD ARG A 24 7.535 -3.067 -4.540 1.00 51.02 C ATOM 191 NE ARG A 24 6.109 -3.214 -4.822 1.00 5.00 N ATOM 192 CZ ARG A 24 5.555 -4.349 -5.231 1.00 74.34 C ATOM 193 NH1 ARG A 24 6.301 -5.431 -5.406 1.00 2.04 N ATOM 194 NH2 ARG A 24 4.250 -4.404 -5.467 1.00 71.31 N ATOM 0 H ARG A 24 8.313 -4.458 -0.902 1.00 14.25 H new ATOM 0 HA ARG A 24 10.526 -2.970 -1.941 1.00 73.35 H new ATOM 0 HB2 ARG A 24 7.686 -1.964 -1.711 1.00 13.14 H new ATOM 0 HB3 ARG A 24 8.863 -1.644 -2.969 1.00 13.14 H new ATOM 0 HG2 ARG A 24 8.606 -4.363 -3.204 1.00 61.12 H new ATOM 0 HG3 ARG A 24 7.000 -3.933 -2.650 1.00 61.12 H new ATOM 0 HD2 ARG A 24 7.821 -2.021 -4.651 1.00 51.02 H new ATOM 0 HD3 ARG A 24 8.110 -3.634 -5.272 1.00 51.02 H new ATOM 0 HE ARG A 24 5.506 -2.400 -4.698 1.00 5.00 H new ATOM 0 HH11 ARG A 24 7.304 -5.393 -5.226 1.00 2.04 H new ATOM 0 HH12 ARG A 24 5.872 -6.301 -5.720 1.00 2.04 H new ATOM 0 HH21 ARG A 24 3.672 -3.574 -5.334 1.00 71.31 H new ATOM 0 HH22 ARG A 24 3.825 -5.276 -5.781 1.00 71.31 H new ATOM 208 N ALA A 25 11.001 -1.861 0.336 1.00 74.21 N ATOM 209 CA ALA A 25 11.335 -0.920 1.398 1.00 71.33 C ATOM 210 C ALA A 25 12.151 0.249 0.858 1.00 53.50 C ATOM 211 O ALA A 25 12.293 0.412 -0.354 1.00 2.30 O ATOM 212 CB ALA A 25 12.095 -1.628 2.510 1.00 51.21 C ATOM 0 H ALA A 25 11.742 -2.526 0.114 1.00 74.21 H new ATOM 0 HA ALA A 25 10.405 -0.523 1.804 1.00 71.33 H new ATOM 0 HB1 ALA A 25 12.338 -0.914 3.297 1.00 51.21 H new ATOM 0 HB2 ALA A 25 11.477 -2.425 2.923 1.00 51.21 H new ATOM 0 HB3 ALA A 25 13.015 -2.053 2.109 1.00 51.21 H new ATOM 218 N ARG A 26 12.684 1.062 1.765 1.00 73.41 N ATOM 219 CA ARG A 26 13.484 2.218 1.379 1.00 32.31 C ATOM 220 C ARG A 26 14.889 1.792 0.965 1.00 43.33 C ATOM 221 O ARG A 26 15.232 0.611 1.014 1.00 20.45 O ATOM 222 CB ARG A 26 13.562 3.219 2.533 1.00 31.23 C ATOM 223 CG ARG A 26 13.373 4.663 2.100 1.00 13.43 C ATOM 224 CD ARG A 26 12.899 5.533 3.254 1.00 4.43 C ATOM 225 NE ARG A 26 14.014 6.160 3.960 1.00 32.13 N ATOM 226 CZ ARG A 26 14.672 7.219 3.502 1.00 62.43 C ATOM 227 NH1 ARG A 26 14.329 7.766 2.344 1.00 43.31 N ATOM 228 NH2 ARG A 26 15.676 7.732 4.202 1.00 15.00 N ATOM 0 H ARG A 26 12.576 0.941 2.772 1.00 73.41 H new ATOM 0 HA ARG A 26 13.001 2.695 0.526 1.00 32.31 H new ATOM 0 HB2 ARG A 26 12.802 2.968 3.273 1.00 31.23 H new ATOM 0 HB3 ARG A 26 14.530 3.120 3.024 1.00 31.23 H new ATOM 0 HG2 ARG A 26 14.313 5.053 1.711 1.00 13.43 H new ATOM 0 HG3 ARG A 26 12.648 4.708 1.287 1.00 13.43 H new ATOM 0 HD2 ARG A 26 12.230 6.305 2.875 1.00 4.43 H new ATOM 0 HD3 ARG A 26 12.323 4.926 3.953 1.00 4.43 H new ATOM 0 HE ARG A 26 14.303 5.763 4.854 1.00 32.13 H new ATOM 0 HH11 ARG A 26 13.558 7.374 1.803 1.00 43.31 H new ATOM 0 HH12 ARG A 26 14.836 8.579 1.994 1.00 43.31 H new ATOM 0 HH21 ARG A 26 15.943 7.313 5.093 1.00 15.00 H new ATOM 0 HH22 ARG A 26 16.181 8.545 3.849 1.00 15.00 H new ATOM 242 N CYS A 27 15.699 2.763 0.555 1.00 1.01 N ATOM 243 CA CYS A 27 17.067 2.490 0.131 1.00 51.42 C ATOM 244 C CYS A 27 17.886 3.777 0.075 1.00 32.14 C ATOM 245 O CYS A 27 17.581 4.686 -0.697 1.00 2.45 O ATOM 246 CB CYS A 27 17.072 1.810 -1.240 1.00 1.24 C ATOM 247 SG CYS A 27 18.212 0.394 -1.363 1.00 14.34 S ATOM 0 H CYS A 27 15.431 3.746 0.508 1.00 1.01 H new ATOM 0 HA CYS A 27 17.521 1.822 0.863 1.00 51.42 H new ATOM 0 HB2 CYS A 27 16.062 1.471 -1.469 1.00 1.24 H new ATOM 0 HB3 CYS A 27 17.341 2.546 -1.998 1.00 1.24 H new ATOM 252 N TYR A 28 18.926 3.845 0.899 1.00 50.23 N ATOM 253 CA TYR A 28 19.788 5.020 0.946 1.00 52.35 C ATOM 254 C TYR A 28 21.235 4.648 0.636 1.00 35.42 C ATOM 255 O TYR A 28 21.694 3.543 0.927 1.00 10.02 O ATOM 256 CB TYR A 28 19.704 5.686 2.320 1.00 33.12 C ATOM 257 CG TYR A 28 20.220 4.818 3.446 1.00 52.23 C ATOM 258 CD1 TYR A 28 21.582 4.714 3.700 1.00 11.01 C ATOM 259 CD2 TYR A 28 19.346 4.102 4.254 1.00 30.10 C ATOM 260 CE1 TYR A 28 22.058 3.922 4.727 1.00 63.12 C ATOM 261 CE2 TYR A 28 19.813 3.309 5.284 1.00 62.41 C ATOM 262 CZ TYR A 28 21.170 3.222 5.516 1.00 21.32 C ATOM 263 OH TYR A 28 21.640 2.431 6.540 1.00 14.42 O ATOM 0 H TYR A 28 19.192 3.100 1.543 1.00 50.23 H new ATOM 0 HA TYR A 28 19.442 5.722 0.188 1.00 52.35 H new ATOM 0 HB2 TYR A 28 20.273 6.616 2.299 1.00 33.12 H new ATOM 0 HB3 TYR A 28 18.666 5.951 2.523 1.00 33.12 H new ATOM 0 HD1 TYR A 28 22.280 5.261 3.084 1.00 11.01 H new ATOM 0 HD2 TYR A 28 18.283 4.166 4.074 1.00 30.10 H new ATOM 0 HE1 TYR A 28 23.120 3.852 4.911 1.00 63.12 H new ATOM 0 HE2 TYR A 28 19.120 2.760 5.904 1.00 62.41 H new ATOM 0 HH TYR A 28 21.851 2.991 7.316 1.00 14.42 H new ATOM 273 N PRO A 29 21.971 5.592 0.032 1.00 63.41 N ATOM 274 CA PRO A 29 23.377 5.388 -0.330 1.00 22.43 C ATOM 275 C PRO A 29 24.286 5.322 0.893 1.00 65.33 C ATOM 276 O PRO A 29 24.555 6.337 1.536 1.00 52.11 O ATOM 277 CB PRO A 29 23.708 6.619 -1.176 1.00 51.24 C ATOM 278 CG PRO A 29 22.748 7.662 -0.719 1.00 1.54 C ATOM 279 CD PRO A 29 21.489 6.931 -0.344 1.00 73.03 C ATOM 0 HA PRO A 29 23.531 4.443 -0.850 1.00 22.43 H new ATOM 0 HB2 PRO A 29 24.740 6.937 -1.025 1.00 51.24 H new ATOM 0 HB3 PRO A 29 23.591 6.412 -2.240 1.00 51.24 H new ATOM 0 HG2 PRO A 29 23.147 8.213 0.132 1.00 1.54 H new ATOM 0 HG3 PRO A 29 22.557 8.389 -1.508 1.00 1.54 H new ATOM 0 HD2 PRO A 29 20.972 7.419 0.483 1.00 73.03 H new ATOM 0 HD3 PRO A 29 20.787 6.886 -1.177 1.00 73.03 H new ATOM 287 N THR A 30 24.759 4.120 1.209 1.00 43.11 N ATOM 288 CA THR A 30 25.638 3.922 2.355 1.00 60.35 C ATOM 289 C THR A 30 26.839 4.858 2.295 1.00 43.23 C ATOM 290 O THR A 30 26.932 5.814 3.064 1.00 10.43 O ATOM 291 CB THR A 30 26.139 2.467 2.433 1.00 12.22 C ATOM 292 OG1 THR A 30 25.184 1.587 1.829 1.00 3.12 O ATOM 293 CG2 THR A 30 26.374 2.053 3.878 1.00 4.40 C ATOM 0 H THR A 30 24.548 3.269 0.687 1.00 43.11 H new ATOM 0 HA THR A 30 25.051 4.145 3.246 1.00 60.35 H new ATOM 0 HB THR A 30 27.084 2.402 1.894 1.00 12.22 H new ATOM 0 HG1 THR A 30 25.511 0.664 1.881 1.00 3.12 H new ATOM 0 HG21 THR A 30 26.727 1.022 3.908 1.00 4.40 H new ATOM 0 HG22 THR A 30 27.122 2.706 4.327 1.00 4.40 H new ATOM 0 HG23 THR A 30 25.441 2.133 4.436 1.00 4.40 H new ATOM 301 N SER A 31 27.757 4.578 1.375 1.00 24.43 N ATOM 302 CA SER A 31 28.955 5.394 1.217 1.00 23.12 C ATOM 303 C SER A 31 28.924 6.155 -0.105 1.00 34.13 C ATOM 304 O SER A 31 28.039 5.945 -0.933 1.00 73.11 O ATOM 305 CB SER A 31 30.208 4.518 1.284 1.00 33.24 C ATOM 306 OG SER A 31 31.385 5.305 1.226 1.00 35.04 O ATOM 0 H SER A 31 27.694 3.792 0.728 1.00 24.43 H new ATOM 0 HA SER A 31 28.981 6.117 2.032 1.00 23.12 H new ATOM 0 HB2 SER A 31 30.200 3.937 2.206 1.00 33.24 H new ATOM 0 HB3 SER A 31 30.202 3.806 0.459 1.00 33.24 H new ATOM 0 HG SER A 31 32.171 4.722 1.272 1.00 35.04 H new ATOM 312 N ASN A 32 29.897 7.040 -0.294 1.00 54.30 N ATOM 313 CA ASN A 32 29.981 7.834 -1.515 1.00 11.04 C ATOM 314 C ASN A 32 30.280 6.948 -2.720 1.00 72.02 C ATOM 315 O ASN A 32 29.677 7.103 -3.782 1.00 20.12 O ATOM 316 CB ASN A 32 31.062 8.908 -1.376 1.00 62.40 C ATOM 317 CG ASN A 32 30.490 10.312 -1.403 1.00 33.41 C ATOM 318 OD1 ASN A 32 30.916 11.153 -2.194 1.00 24.10 O ATOM 319 ND2 ASN A 32 29.518 10.571 -0.536 1.00 21.14 N ATOM 0 H ASN A 32 30.638 7.226 0.382 1.00 54.30 H new ATOM 0 HA ASN A 32 29.017 8.317 -1.672 1.00 11.04 H new ATOM 0 HB2 ASN A 32 31.602 8.757 -0.441 1.00 62.40 H new ATOM 0 HB3 ASN A 32 31.785 8.798 -2.184 1.00 62.40 H new ATOM 0 HD21 ASN A 32 29.093 11.498 -0.508 1.00 21.14 H new ATOM 0 HD22 ASN A 32 29.196 9.843 0.102 1.00 21.14 H new ATOM 326 N ALA A 33 31.214 6.019 -2.547 1.00 62.25 N ATOM 327 CA ALA A 33 31.591 5.106 -3.620 1.00 3.23 C ATOM 328 C ALA A 33 30.880 3.765 -3.475 1.00 0.22 C ATOM 329 O ALA A 33 30.201 3.308 -4.395 1.00 31.44 O ATOM 330 CB ALA A 33 33.100 4.907 -3.637 1.00 34.32 C ATOM 0 H ALA A 33 31.724 5.878 -1.675 1.00 62.25 H new ATOM 0 HA ALA A 33 31.283 5.550 -4.567 1.00 3.23 H new ATOM 0 HB1 ALA A 33 33.368 4.223 -4.443 1.00 34.32 H new ATOM 0 HB2 ALA A 33 33.592 5.867 -3.797 1.00 34.32 H new ATOM 0 HB3 ALA A 33 33.423 4.488 -2.684 1.00 34.32 H new ATOM 336 N THR A 34 31.040 3.138 -2.314 1.00 24.33 N ATOM 337 CA THR A 34 30.415 1.848 -2.049 1.00 42.11 C ATOM 338 C THR A 34 30.577 1.448 -0.587 1.00 51.30 C ATOM 339 O THR A 34 31.468 1.939 0.105 1.00 31.52 O ATOM 340 CB THR A 34 31.010 0.742 -2.941 1.00 22.12 C ATOM 341 OG1 THR A 34 30.557 -0.542 -2.497 1.00 52.20 O ATOM 342 CG2 THR A 34 32.531 0.785 -2.915 1.00 14.31 C ATOM 0 H THR A 34 31.597 3.503 -1.542 1.00 24.33 H new ATOM 0 HA THR A 34 29.355 1.958 -2.277 1.00 42.11 H new ATOM 0 HB THR A 34 30.675 0.912 -3.964 1.00 22.12 H new ATOM 0 HG1 THR A 34 30.938 -1.240 -3.070 1.00 52.20 H new ATOM 0 HG21 THR A 34 32.928 -0.005 -3.552 1.00 14.31 H new ATOM 0 HG22 THR A 34 32.874 1.753 -3.281 1.00 14.31 H new ATOM 0 HG23 THR A 34 32.882 0.638 -1.893 1.00 14.31 H new ATOM 350 N ASN A 35 29.710 0.554 -0.123 1.00 54.24 N ATOM 351 CA ASN A 35 29.757 0.088 1.258 1.00 50.32 C ATOM 352 C ASN A 35 30.673 -1.124 1.392 1.00 65.02 C ATOM 353 O ASN A 35 30.816 -1.916 0.459 1.00 12.51 O ATOM 354 CB ASN A 35 28.351 -0.265 1.747 1.00 10.33 C ATOM 355 CG ASN A 35 28.309 -0.534 3.239 1.00 31.40 C ATOM 356 OD1 ASN A 35 27.737 -1.529 3.685 1.00 24.23 O ATOM 357 ND2 ASN A 35 28.916 0.354 4.018 1.00 73.40 N ATOM 0 H ASN A 35 28.966 0.138 -0.683 1.00 54.24 H new ATOM 0 HA ASN A 35 30.157 0.894 1.874 1.00 50.32 H new ATOM 0 HB2 ASN A 35 27.670 0.552 1.509 1.00 10.33 H new ATOM 0 HB3 ASN A 35 27.993 -1.144 1.212 1.00 10.33 H new ATOM 0 HD21 ASN A 35 28.921 0.226 5.030 1.00 73.40 H new ATOM 0 HD22 ASN A 35 29.378 1.164 3.604 1.00 73.40 H new ATOM 364 N THR A 36 31.294 -1.264 2.559 1.00 33.14 N ATOM 365 CA THR A 36 32.197 -2.379 2.816 1.00 12.22 C ATOM 366 C THR A 36 31.867 -3.060 4.140 1.00 42.34 C ATOM 367 O THR A 36 31.427 -2.412 5.090 1.00 22.22 O ATOM 368 CB THR A 36 33.666 -1.917 2.841 1.00 21.13 C ATOM 369 OG1 THR A 36 33.874 -0.891 1.864 1.00 20.13 O ATOM 370 CG2 THR A 36 34.604 -3.083 2.568 1.00 44.25 C ATOM 0 H THR A 36 31.188 -0.619 3.342 1.00 33.14 H new ATOM 0 HA THR A 36 32.061 -3.090 2.001 1.00 12.22 H new ATOM 0 HB THR A 36 33.883 -1.521 3.833 1.00 21.13 H new ATOM 0 HG1 THR A 36 34.810 -0.602 1.888 1.00 20.13 H new ATOM 0 HG21 THR A 36 35.636 -2.733 2.591 1.00 44.25 H new ATOM 0 HG22 THR A 36 34.464 -3.849 3.331 1.00 44.25 H new ATOM 0 HG23 THR A 36 34.385 -3.504 1.587 1.00 44.25 H new ATOM 378 N CYS A 37 32.083 -4.370 4.196 1.00 42.44 N ATOM 379 CA CYS A 37 31.810 -5.139 5.403 1.00 35.40 C ATOM 380 C CYS A 37 32.926 -6.145 5.672 1.00 13.50 C ATOM 381 O CYS A 37 33.163 -7.053 4.876 1.00 74.40 O ATOM 382 CB CYS A 37 30.471 -5.869 5.275 1.00 31.23 C ATOM 383 SG CYS A 37 30.088 -6.971 6.675 1.00 42.13 S ATOM 0 H CYS A 37 32.447 -4.921 3.418 1.00 42.44 H new ATOM 0 HA CYS A 37 31.760 -4.445 6.242 1.00 35.40 H new ATOM 0 HB2 CYS A 37 29.675 -5.131 5.179 1.00 31.23 H new ATOM 0 HB3 CYS A 37 30.475 -6.455 4.356 1.00 31.23 H new ATOM 388 N PHE A 38 33.608 -5.975 6.799 1.00 3.44 N ATOM 389 CA PHE A 38 34.700 -6.866 7.174 1.00 41.11 C ATOM 390 C PHE A 38 35.781 -6.885 6.097 1.00 53.44 C ATOM 391 O PHE A 38 36.205 -7.948 5.646 1.00 40.20 O ATOM 392 CB PHE A 38 34.173 -8.283 7.408 1.00 55.03 C ATOM 393 CG PHE A 38 33.660 -8.510 8.801 1.00 3.43 C ATOM 394 CD1 PHE A 38 33.182 -7.452 9.558 1.00 31.33 C ATOM 395 CD2 PHE A 38 33.658 -9.780 9.355 1.00 53.15 C ATOM 396 CE1 PHE A 38 32.709 -7.657 10.841 1.00 65.40 C ATOM 397 CE2 PHE A 38 33.186 -9.991 10.636 1.00 22.24 C ATOM 398 CZ PHE A 38 32.713 -8.929 11.381 1.00 53.50 C ATOM 0 H PHE A 38 33.424 -5.228 7.469 1.00 3.44 H new ATOM 0 HA PHE A 38 35.139 -6.492 8.099 1.00 41.11 H new ATOM 0 HB2 PHE A 38 33.372 -8.486 6.697 1.00 55.03 H new ATOM 0 HB3 PHE A 38 34.970 -8.997 7.202 1.00 55.03 H new ATOM 0 HD1 PHE A 38 33.179 -6.456 9.141 1.00 31.33 H new ATOM 0 HD2 PHE A 38 34.030 -10.614 8.779 1.00 53.15 H new ATOM 0 HE1 PHE A 38 32.337 -6.825 11.420 1.00 65.40 H new ATOM 0 HE2 PHE A 38 33.187 -10.987 11.055 1.00 22.24 H new ATOM 0 HZ PHE A 38 32.347 -9.092 12.384 1.00 53.50 H new ATOM 408 N GLY A 39 36.221 -5.699 5.688 1.00 42.52 N ATOM 409 CA GLY A 39 37.248 -5.600 4.666 1.00 35.15 C ATOM 410 C GLY A 39 36.696 -5.802 3.269 1.00 22.51 C ATOM 411 O GLY A 39 36.857 -4.945 2.401 1.00 63.13 O ATOM 0 H GLY A 39 35.885 -4.805 6.046 1.00 42.52 H new ATOM 0 HA2 GLY A 39 37.724 -4.621 4.727 1.00 35.15 H new ATOM 0 HA3 GLY A 39 38.021 -6.344 4.859 1.00 35.15 H new ATOM 415 N SER A 40 36.045 -6.940 3.051 1.00 71.45 N ATOM 416 CA SER A 40 35.473 -7.255 1.747 1.00 74.42 C ATOM 417 C SER A 40 34.302 -6.330 1.429 1.00 2.44 C ATOM 418 O SER A 40 33.344 -6.235 2.196 1.00 34.52 O ATOM 419 CB SER A 40 35.010 -8.713 1.708 1.00 33.02 C ATOM 420 OG SER A 40 35.816 -9.526 2.543 1.00 34.32 O ATOM 0 H SER A 40 35.900 -7.659 3.760 1.00 71.45 H new ATOM 0 HA SER A 40 36.246 -7.106 0.994 1.00 74.42 H new ATOM 0 HB2 SER A 40 33.970 -8.776 2.028 1.00 33.02 H new ATOM 0 HB3 SER A 40 35.052 -9.084 0.684 1.00 33.02 H new ATOM 0 HG SER A 40 35.499 -10.452 2.502 1.00 34.32 H new ATOM 426 N LYS A 41 34.388 -5.647 0.293 1.00 54.04 N ATOM 427 CA LYS A 41 33.337 -4.729 -0.130 1.00 13.33 C ATOM 428 C LYS A 41 32.076 -5.490 -0.527 1.00 61.11 C ATOM 429 O LYS A 41 32.149 -6.611 -1.032 1.00 30.41 O ATOM 430 CB LYS A 41 33.820 -3.873 -1.303 1.00 72.21 C ATOM 431 CG LYS A 41 35.120 -3.139 -1.026 1.00 11.35 C ATOM 432 CD LYS A 41 35.675 -2.492 -2.284 1.00 31.42 C ATOM 433 CE LYS A 41 35.367 -1.003 -2.328 1.00 22.52 C ATOM 434 NZ LYS A 41 36.596 -0.178 -2.164 1.00 71.14 N ATOM 0 H LYS A 41 35.175 -5.712 -0.352 1.00 54.04 H new ATOM 0 HA LYS A 41 33.097 -4.079 0.711 1.00 13.33 H new ATOM 0 HB2 LYS A 41 33.952 -4.511 -2.177 1.00 72.21 H new ATOM 0 HB3 LYS A 41 33.048 -3.145 -1.553 1.00 72.21 H new ATOM 0 HG2 LYS A 41 34.953 -2.375 -0.267 1.00 11.35 H new ATOM 0 HG3 LYS A 41 35.853 -3.836 -0.621 1.00 11.35 H new ATOM 0 HD2 LYS A 41 36.754 -2.643 -2.326 1.00 31.42 H new ATOM 0 HD3 LYS A 41 35.250 -2.978 -3.162 1.00 31.42 H new ATOM 0 HE2 LYS A 41 34.889 -0.759 -3.277 1.00 22.52 H new ATOM 0 HE3 LYS A 41 34.656 -0.756 -1.540 1.00 22.52 H new ATOM 0 HZ1 LYS A 41 36.344 0.830 -2.200 1.00 71.14 H new ATOM 0 HZ2 LYS A 41 37.038 -0.392 -1.247 1.00 71.14 H new ATOM 0 HZ3 LYS A 41 37.265 -0.395 -2.930 1.00 71.14 H new ATOM 448 N LEU A 42 30.922 -4.874 -0.298 1.00 34.31 N ATOM 449 CA LEU A 42 29.644 -5.494 -0.634 1.00 2.33 C ATOM 450 C LEU A 42 29.196 -5.092 -2.035 1.00 61.13 C ATOM 451 O LEU A 42 29.555 -4.032 -2.549 1.00 20.24 O ATOM 452 CB LEU A 42 28.578 -5.096 0.388 1.00 31.25 C ATOM 453 CG LEU A 42 28.950 -5.296 1.858 1.00 14.12 C ATOM 454 CD1 LEU A 42 29.356 -3.974 2.490 1.00 3.23 C ATOM 455 CD2 LEU A 42 27.790 -5.920 2.621 1.00 3.35 C ATOM 0 H LEU A 42 30.844 -3.946 0.119 1.00 34.31 H new ATOM 0 HA LEU A 42 29.775 -6.576 -0.611 1.00 2.33 H new ATOM 0 HB2 LEU A 42 28.332 -4.045 0.236 1.00 31.25 H new ATOM 0 HB3 LEU A 42 27.674 -5.668 0.182 1.00 31.25 H new ATOM 0 HG LEU A 42 29.800 -5.976 1.909 1.00 14.12 H new ATOM 0 HD11 LEU A 42 29.617 -4.136 3.536 1.00 3.23 H new ATOM 0 HD12 LEU A 42 30.217 -3.566 1.960 1.00 3.23 H new ATOM 0 HD13 LEU A 42 28.525 -3.271 2.428 1.00 3.23 H new ATOM 0 HD21 LEU A 42 28.072 -6.055 3.665 1.00 3.35 H new ATOM 0 HD22 LEU A 42 26.921 -5.265 2.562 1.00 3.35 H new ATOM 0 HD23 LEU A 42 27.545 -6.888 2.183 1.00 3.35 H new ATOM 467 N PRO A 43 28.391 -5.957 -2.670 1.00 31.01 N ATOM 468 CA PRO A 43 27.874 -5.713 -4.020 1.00 12.23 C ATOM 469 C PRO A 43 26.849 -4.584 -4.053 1.00 5.34 C ATOM 470 O PRO A 43 26.577 -4.011 -5.108 1.00 13.44 O ATOM 471 CB PRO A 43 27.215 -7.043 -4.393 1.00 62.23 C ATOM 472 CG PRO A 43 26.857 -7.668 -3.089 1.00 63.11 C ATOM 473 CD PRO A 43 27.923 -7.240 -2.118 1.00 52.44 C ATOM 0 HA PRO A 43 28.661 -5.403 -4.708 1.00 12.23 H new ATOM 0 HB2 PRO A 43 26.332 -6.887 -5.013 1.00 62.23 H new ATOM 0 HB3 PRO A 43 27.896 -7.676 -4.962 1.00 62.23 H new ATOM 0 HG2 PRO A 43 25.872 -7.340 -2.757 1.00 63.11 H new ATOM 0 HG3 PRO A 43 26.820 -8.754 -3.174 1.00 63.11 H new ATOM 0 HD2 PRO A 43 27.525 -7.123 -1.110 1.00 52.44 H new ATOM 0 HD3 PRO A 43 28.730 -7.971 -2.059 1.00 52.44 H new ATOM 481 N TYR A 44 26.286 -4.269 -2.892 1.00 11.42 N ATOM 482 CA TYR A 44 25.290 -3.209 -2.788 1.00 51.25 C ATOM 483 C TYR A 44 25.844 -2.014 -2.019 1.00 11.33 C ATOM 484 O TYR A 44 26.412 -2.168 -0.938 1.00 43.44 O ATOM 485 CB TYR A 44 24.028 -3.732 -2.101 1.00 15.31 C ATOM 486 CG TYR A 44 24.310 -4.588 -0.887 1.00 13.42 C ATOM 487 CD1 TYR A 44 24.476 -4.015 0.368 1.00 32.11 C ATOM 488 CD2 TYR A 44 24.409 -5.969 -0.995 1.00 21.42 C ATOM 489 CE1 TYR A 44 24.734 -4.793 1.480 1.00 65.43 C ATOM 490 CE2 TYR A 44 24.666 -6.756 0.112 1.00 41.33 C ATOM 491 CZ TYR A 44 24.828 -6.163 1.347 1.00 65.05 C ATOM 492 OH TYR A 44 25.085 -6.942 2.452 1.00 54.23 O ATOM 0 H TYR A 44 26.502 -4.733 -2.010 1.00 11.42 H new ATOM 0 HA TYR A 44 25.037 -2.883 -3.797 1.00 51.25 H new ATOM 0 HB2 TYR A 44 23.410 -2.885 -1.803 1.00 15.31 H new ATOM 0 HB3 TYR A 44 23.448 -4.313 -2.818 1.00 15.31 H new ATOM 0 HD1 TYR A 44 24.402 -2.943 0.476 1.00 32.11 H new ATOM 0 HD2 TYR A 44 24.283 -6.436 -1.961 1.00 21.42 H new ATOM 0 HE1 TYR A 44 24.861 -4.331 2.448 1.00 65.43 H new ATOM 0 HE2 TYR A 44 24.740 -7.829 0.011 1.00 41.33 H new ATOM 0 HH TYR A 44 25.031 -6.391 3.261 1.00 54.23 H new ATOM 502 N GLU A 45 25.672 -0.823 -2.584 1.00 44.22 N ATOM 503 CA GLU A 45 26.155 0.399 -1.952 1.00 3.05 C ATOM 504 C GLU A 45 25.016 1.139 -1.256 1.00 72.35 C ATOM 505 O GLU A 45 25.182 2.272 -0.802 1.00 75.43 O ATOM 506 CB GLU A 45 26.812 1.312 -2.989 1.00 64.41 C ATOM 507 CG GLU A 45 25.818 2.018 -3.896 1.00 21.54 C ATOM 508 CD GLU A 45 26.415 2.388 -5.239 1.00 51.43 C ATOM 509 OE1 GLU A 45 27.452 3.084 -5.255 1.00 61.14 O ATOM 510 OE2 GLU A 45 25.845 1.984 -6.274 1.00 62.21 O ATOM 0 H GLU A 45 25.202 -0.679 -3.478 1.00 44.22 H new ATOM 0 HA GLU A 45 26.896 0.121 -1.203 1.00 3.05 H new ATOM 0 HB2 GLU A 45 27.414 2.060 -2.473 1.00 64.41 H new ATOM 0 HB3 GLU A 45 27.493 0.721 -3.601 1.00 64.41 H new ATOM 0 HG2 GLU A 45 24.953 1.373 -4.052 1.00 21.54 H new ATOM 0 HG3 GLU A 45 25.458 2.920 -3.402 1.00 21.54 H new ATOM 517 N LEU A 46 23.859 0.491 -1.178 1.00 31.42 N ATOM 518 CA LEU A 46 22.690 1.086 -0.539 1.00 23.22 C ATOM 519 C LEU A 46 22.286 0.295 0.701 1.00 12.13 C ATOM 520 O LEU A 46 22.822 -0.781 0.966 1.00 73.25 O ATOM 521 CB LEU A 46 21.521 1.146 -1.523 1.00 62.44 C ATOM 522 CG LEU A 46 21.775 1.914 -2.821 1.00 11.13 C ATOM 523 CD1 LEU A 46 20.714 1.577 -3.857 1.00 12.32 C ATOM 524 CD2 LEU A 46 21.807 3.412 -2.556 1.00 4.24 C ATOM 0 H LEU A 46 23.705 -0.446 -1.549 1.00 31.42 H new ATOM 0 HA LEU A 46 22.951 2.099 -0.232 1.00 23.22 H new ATOM 0 HB2 LEU A 46 21.234 0.126 -1.778 1.00 62.44 H new ATOM 0 HB3 LEU A 46 20.669 1.600 -1.017 1.00 62.44 H new ATOM 0 HG LEU A 46 22.746 1.614 -3.215 1.00 11.13 H new ATOM 0 HD11 LEU A 46 20.911 2.133 -4.774 1.00 12.32 H new ATOM 0 HD12 LEU A 46 20.738 0.508 -4.068 1.00 12.32 H new ATOM 0 HD13 LEU A 46 19.731 1.848 -3.472 1.00 12.32 H new ATOM 0 HD21 LEU A 46 21.989 3.943 -3.490 1.00 4.24 H new ATOM 0 HD22 LEU A 46 20.851 3.728 -2.139 1.00 4.24 H new ATOM 0 HD23 LEU A 46 22.604 3.639 -1.848 1.00 4.24 H new ATOM 536 N SER A 47 21.335 0.835 1.457 1.00 5.34 N ATOM 537 CA SER A 47 20.860 0.181 2.671 1.00 52.13 C ATOM 538 C SER A 47 19.434 0.615 2.999 1.00 45.31 C ATOM 539 O SER A 47 18.996 1.696 2.604 1.00 65.31 O ATOM 540 CB SER A 47 21.786 0.502 3.845 1.00 1.02 C ATOM 541 OG SER A 47 21.110 0.358 5.082 1.00 13.21 O ATOM 0 H SER A 47 20.878 1.723 1.250 1.00 5.34 H new ATOM 0 HA SER A 47 20.864 -0.895 2.499 1.00 52.13 H new ATOM 0 HB2 SER A 47 22.652 -0.160 3.821 1.00 1.02 H new ATOM 0 HB3 SER A 47 22.161 1.521 3.748 1.00 1.02 H new ATOM 0 HG SER A 47 20.983 1.240 5.490 1.00 13.21 H new ATOM 547 N SER A 48 18.716 -0.235 3.724 1.00 33.45 N ATOM 548 CA SER A 48 17.338 0.057 4.103 1.00 3.34 C ATOM 549 C SER A 48 17.203 0.167 5.619 1.00 25.42 C ATOM 550 O SER A 48 17.184 -0.841 6.327 1.00 74.41 O ATOM 551 CB SER A 48 16.400 -1.028 3.573 1.00 34.35 C ATOM 552 OG SER A 48 15.067 -0.802 3.998 1.00 53.41 O ATOM 0 H SER A 48 19.065 -1.132 4.061 1.00 33.45 H new ATOM 0 HA SER A 48 17.061 1.014 3.661 1.00 3.34 H new ATOM 0 HB2 SER A 48 16.439 -1.047 2.484 1.00 34.35 H new ATOM 0 HB3 SER A 48 16.735 -2.005 3.921 1.00 34.35 H new ATOM 0 HG SER A 48 14.520 -0.534 3.230 1.00 53.41 H new ATOM 558 N LEU A 49 17.111 1.397 6.111 1.00 3.12 N ATOM 559 CA LEU A 49 16.978 1.640 7.543 1.00 1.44 C ATOM 560 C LEU A 49 15.675 1.054 8.077 1.00 70.24 C ATOM 561 O LEU A 49 15.578 0.697 9.251 1.00 52.11 O ATOM 562 CB LEU A 49 17.031 3.142 7.833 1.00 60.52 C ATOM 563 CG LEU A 49 17.934 3.571 8.990 1.00 63.35 C ATOM 564 CD1 LEU A 49 17.349 3.120 10.319 1.00 4.00 C ATOM 565 CD2 LEU A 49 19.338 3.012 8.806 1.00 51.54 C ATOM 0 H LEU A 49 17.126 2.242 5.540 1.00 3.12 H new ATOM 0 HA LEU A 49 17.810 1.149 8.048 1.00 1.44 H new ATOM 0 HB2 LEU A 49 17.363 3.654 6.930 1.00 60.52 H new ATOM 0 HB3 LEU A 49 16.018 3.487 8.041 1.00 60.52 H new ATOM 0 HG LEU A 49 17.995 4.659 8.994 1.00 63.35 H new ATOM 0 HD11 LEU A 49 18.005 3.434 11.131 1.00 4.00 H new ATOM 0 HD12 LEU A 49 16.365 3.568 10.454 1.00 4.00 H new ATOM 0 HD13 LEU A 49 17.257 2.034 10.326 1.00 4.00 H new ATOM 0 HD21 LEU A 49 19.967 3.327 9.638 1.00 51.54 H new ATOM 0 HD22 LEU A 49 19.295 1.923 8.776 1.00 51.54 H new ATOM 0 HD23 LEU A 49 19.759 3.385 7.872 1.00 51.54 H new ATOM 577 N ASP A 50 14.677 0.955 7.206 1.00 52.14 N ATOM 578 CA ASP A 50 13.380 0.408 7.588 1.00 50.33 C ATOM 579 C ASP A 50 13.498 -1.069 7.950 1.00 44.21 C ATOM 580 O ASP A 50 12.623 -1.629 8.612 1.00 43.14 O ATOM 581 CB ASP A 50 12.372 0.588 6.452 1.00 51.44 C ATOM 582 CG ASP A 50 10.946 0.693 6.954 1.00 15.14 C ATOM 583 OD1 ASP A 50 10.298 -0.361 7.125 1.00 40.25 O ATOM 584 OD2 ASP A 50 10.476 1.829 7.177 1.00 43.11 O ATOM 0 H ASP A 50 14.741 1.246 6.231 1.00 52.14 H new ATOM 0 HA ASP A 50 13.029 0.952 8.465 1.00 50.33 H new ATOM 0 HB2 ASP A 50 12.622 1.486 5.887 1.00 51.44 H new ATOM 0 HB3 ASP A 50 12.451 -0.254 5.764 1.00 51.44 H new ATOM 589 N LEU A 51 14.585 -1.695 7.511 1.00 11.24 N ATOM 590 CA LEU A 51 14.818 -3.108 7.788 1.00 32.14 C ATOM 591 C LEU A 51 15.217 -3.319 9.245 1.00 13.15 C ATOM 592 O LEU A 51 15.322 -4.453 9.714 1.00 3.34 O ATOM 593 CB LEU A 51 15.907 -3.656 6.865 1.00 24.11 C ATOM 594 CG LEU A 51 15.731 -5.103 6.404 1.00 71.31 C ATOM 595 CD1 LEU A 51 14.368 -5.295 5.758 1.00 72.14 C ATOM 596 CD2 LEU A 51 16.841 -5.495 5.439 1.00 54.41 C ATOM 0 H LEU A 51 15.318 -1.246 6.962 1.00 11.24 H new ATOM 0 HA LEU A 51 13.889 -3.647 7.603 1.00 32.14 H new ATOM 0 HB2 LEU A 51 15.962 -3.019 5.982 1.00 24.11 H new ATOM 0 HB3 LEU A 51 16.865 -3.573 7.378 1.00 24.11 H new ATOM 0 HG LEU A 51 15.791 -5.752 7.278 1.00 71.31 H new ATOM 0 HD11 LEU A 51 14.261 -6.331 5.436 1.00 72.14 H new ATOM 0 HD12 LEU A 51 13.587 -5.056 6.479 1.00 72.14 H new ATOM 0 HD13 LEU A 51 14.278 -4.636 4.895 1.00 72.14 H new ATOM 0 HD21 LEU A 51 16.699 -6.528 5.122 1.00 54.41 H new ATOM 0 HD22 LEU A 51 16.814 -4.841 4.568 1.00 54.41 H new ATOM 0 HD23 LEU A 51 17.806 -5.397 5.936 1.00 54.41 H new ATOM 608 N THR A 52 15.436 -2.219 9.959 1.00 14.40 N ATOM 609 CA THR A 52 15.822 -2.282 11.363 1.00 75.31 C ATOM 610 C THR A 52 14.953 -1.363 12.214 1.00 2.01 C ATOM 611 O THR A 52 14.049 -0.701 11.705 1.00 75.10 O ATOM 612 CB THR A 52 17.300 -1.898 11.557 1.00 4.40 C ATOM 613 OG1 THR A 52 17.665 -0.869 10.630 1.00 13.32 O ATOM 614 CG2 THR A 52 18.204 -3.106 11.362 1.00 11.11 C ATOM 0 H THR A 52 15.352 -1.273 9.587 1.00 14.40 H new ATOM 0 HA THR A 52 15.678 -3.313 11.684 1.00 75.31 H new ATOM 0 HB THR A 52 17.426 -1.531 12.576 1.00 4.40 H new ATOM 0 HG1 THR A 52 16.870 -0.350 10.387 1.00 13.32 H new ATOM 0 HG21 THR A 52 19.243 -2.809 11.504 1.00 11.11 H new ATOM 0 HG22 THR A 52 17.944 -3.876 12.088 1.00 11.11 H new ATOM 0 HG23 THR A 52 18.074 -3.499 10.354 1.00 11.11 H new ATOM 622 N ASP A 53 15.234 -1.326 13.512 1.00 62.11 N ATOM 623 CA ASP A 53 14.479 -0.486 14.434 1.00 2.31 C ATOM 624 C ASP A 53 15.350 0.644 14.977 1.00 74.43 C ATOM 625 O ASP A 53 15.652 0.690 16.169 1.00 2.12 O ATOM 626 CB ASP A 53 13.931 -1.324 15.590 1.00 62.32 C ATOM 627 CG ASP A 53 12.665 -0.737 16.182 1.00 43.30 C ATOM 628 OD1 ASP A 53 11.878 -0.136 15.421 1.00 5.44 O ATOM 629 OD2 ASP A 53 12.462 -0.877 17.406 1.00 33.33 O ATOM 0 H ASP A 53 15.979 -1.868 13.949 1.00 62.11 H new ATOM 0 HA ASP A 53 13.645 -0.047 13.886 1.00 2.31 H new ATOM 0 HB2 ASP A 53 13.729 -2.335 15.238 1.00 62.32 H new ATOM 0 HB3 ASP A 53 14.690 -1.404 16.369 1.00 62.32 H new ATOM 634 N PHE A 54 15.750 1.552 14.093 1.00 30.12 N ATOM 635 CA PHE A 54 16.588 2.680 14.483 1.00 54.31 C ATOM 636 C PHE A 54 15.934 4.003 14.093 1.00 21.12 C ATOM 637 O PHE A 54 14.788 4.033 13.644 1.00 51.52 O ATOM 638 CB PHE A 54 17.967 2.568 13.830 1.00 10.14 C ATOM 639 CG PHE A 54 18.710 1.319 14.210 1.00 1.42 C ATOM 640 CD1 PHE A 54 19.136 1.120 15.513 1.00 4.34 C ATOM 641 CD2 PHE A 54 18.983 0.345 13.264 1.00 71.22 C ATOM 642 CE1 PHE A 54 19.820 -0.028 15.866 1.00 2.14 C ATOM 643 CE2 PHE A 54 19.666 -0.805 13.611 1.00 32.50 C ATOM 644 CZ PHE A 54 20.086 -0.992 14.914 1.00 41.54 C ATOM 0 H PHE A 54 15.508 1.529 13.102 1.00 30.12 H new ATOM 0 HA PHE A 54 16.704 2.657 15.567 1.00 54.31 H new ATOM 0 HB2 PHE A 54 17.851 2.597 12.747 1.00 10.14 H new ATOM 0 HB3 PHE A 54 18.564 3.436 14.110 1.00 10.14 H new ATOM 0 HD1 PHE A 54 18.931 1.871 16.262 1.00 4.34 H new ATOM 0 HD2 PHE A 54 18.658 0.486 12.244 1.00 71.22 H new ATOM 0 HE1 PHE A 54 20.146 -0.171 16.886 1.00 2.14 H new ATOM 0 HE2 PHE A 54 19.871 -1.557 12.864 1.00 32.50 H new ATOM 0 HZ PHE A 54 20.621 -1.890 15.187 1.00 41.54 H new ATOM 654 N HIS A 55 16.671 5.095 14.269 1.00 24.12 N ATOM 655 CA HIS A 55 16.165 6.421 13.936 1.00 15.42 C ATOM 656 C HIS A 55 17.112 7.141 12.981 1.00 72.02 C ATOM 657 O HIS A 55 16.848 8.268 12.559 1.00 64.40 O ATOM 658 CB HIS A 55 15.975 7.252 15.206 1.00 34.50 C ATOM 659 CG HIS A 55 14.539 7.436 15.592 1.00 42.53 C ATOM 660 ND1 HIS A 55 13.628 8.107 14.803 1.00 63.43 N ATOM 661 CD2 HIS A 55 13.858 7.033 16.690 1.00 64.33 C ATOM 662 CE1 HIS A 55 12.450 8.109 15.399 1.00 33.35 C ATOM 663 NE2 HIS A 55 12.562 7.463 16.546 1.00 23.12 N ATOM 0 H HIS A 55 17.621 5.087 14.640 1.00 24.12 H new ATOM 0 HA HIS A 55 15.201 6.300 13.442 1.00 15.42 H new ATOM 0 HB2 HIS A 55 16.505 6.771 16.028 1.00 34.50 H new ATOM 0 HB3 HIS A 55 16.432 8.231 15.062 1.00 34.50 H new ATOM 0 HD2 HIS A 55 14.259 6.477 17.524 1.00 64.33 H new ATOM 0 HE1 HIS A 55 11.548 8.562 15.014 1.00 33.35 H new ATOM 0 HE2 HIS A 55 11.808 7.309 17.216 1.00 23.12 H new ATOM 671 N THR A 56 18.217 6.483 12.643 1.00 13.13 N ATOM 672 CA THR A 56 19.204 7.060 11.740 1.00 40.22 C ATOM 673 C THR A 56 20.395 6.127 11.558 1.00 22.52 C ATOM 674 O THR A 56 20.653 5.264 12.398 1.00 53.54 O ATOM 675 CB THR A 56 19.708 8.422 12.254 1.00 55.22 C ATOM 676 OG1 THR A 56 20.960 8.745 11.640 1.00 62.12 O ATOM 677 CG2 THR A 56 19.868 8.404 13.766 1.00 22.15 C ATOM 0 H THR A 56 18.450 5.550 12.982 1.00 13.13 H new ATOM 0 HA THR A 56 18.708 7.203 10.780 1.00 40.22 H new ATOM 0 HB THR A 56 18.970 9.180 11.992 1.00 55.22 H new ATOM 0 HG1 THR A 56 21.045 9.718 11.563 1.00 62.12 H new ATOM 0 HG21 THR A 56 20.225 9.376 14.106 1.00 22.15 H new ATOM 0 HG22 THR A 56 18.906 8.188 14.231 1.00 22.15 H new ATOM 0 HG23 THR A 56 20.588 7.635 14.047 1.00 22.15 H new ATOM 685 N GLU A 57 21.119 6.305 10.457 1.00 34.21 N ATOM 686 CA GLU A 57 22.283 5.477 10.167 1.00 61.34 C ATOM 687 C GLU A 57 23.227 5.425 11.365 1.00 52.52 C ATOM 688 O GLU A 57 23.683 4.354 11.766 1.00 53.34 O ATOM 689 CB GLU A 57 23.026 6.014 8.941 1.00 33.23 C ATOM 690 CG GLU A 57 22.124 6.264 7.744 1.00 32.42 C ATOM 691 CD GLU A 57 22.100 7.721 7.326 1.00 70.12 C ATOM 692 OE1 GLU A 57 22.970 8.123 6.526 1.00 51.35 O ATOM 693 OE2 GLU A 57 21.210 8.459 7.799 1.00 25.12 O ATOM 0 H GLU A 57 20.920 7.015 9.752 1.00 34.21 H new ATOM 0 HA GLU A 57 21.934 4.466 9.958 1.00 61.34 H new ATOM 0 HB2 GLU A 57 23.527 6.945 9.209 1.00 33.23 H new ATOM 0 HB3 GLU A 57 23.803 5.304 8.658 1.00 33.23 H new ATOM 0 HG2 GLU A 57 22.462 5.655 6.906 1.00 32.42 H new ATOM 0 HG3 GLU A 57 21.111 5.942 7.984 1.00 32.42 H new ATOM 700 N LYS A 58 23.516 6.591 11.932 1.00 4.45 N ATOM 701 CA LYS A 58 24.405 6.682 13.085 1.00 32.11 C ATOM 702 C LYS A 58 23.940 5.756 14.205 1.00 52.04 C ATOM 703 O LYS A 58 24.754 5.213 14.951 1.00 53.31 O ATOM 704 CB LYS A 58 24.468 8.124 13.594 1.00 33.34 C ATOM 705 CG LYS A 58 23.237 8.547 14.377 1.00 33.52 C ATOM 706 CD LYS A 58 22.949 10.029 14.206 1.00 72.41 C ATOM 707 CE LYS A 58 22.276 10.612 15.439 1.00 24.02 C ATOM 708 NZ LYS A 58 21.585 11.896 15.139 1.00 44.51 N ATOM 0 H LYS A 58 23.148 7.487 11.612 1.00 4.45 H new ATOM 0 HA LYS A 58 25.401 6.371 12.770 1.00 32.11 H new ATOM 0 HB2 LYS A 58 25.348 8.239 14.227 1.00 33.34 H new ATOM 0 HB3 LYS A 58 24.596 8.795 12.745 1.00 33.34 H new ATOM 0 HG2 LYS A 58 22.376 7.967 14.044 1.00 33.52 H new ATOM 0 HG3 LYS A 58 23.382 8.323 15.434 1.00 33.52 H new ATOM 0 HD2 LYS A 58 23.880 10.562 14.012 1.00 72.41 H new ATOM 0 HD3 LYS A 58 22.309 10.178 13.336 1.00 72.41 H new ATOM 0 HE2 LYS A 58 21.555 9.895 15.832 1.00 24.02 H new ATOM 0 HE3 LYS A 58 23.022 10.774 16.217 1.00 24.02 H new ATOM 0 HZ1 LYS A 58 21.139 12.261 16.005 1.00 44.51 H new ATOM 0 HZ2 LYS A 58 22.277 12.589 14.787 1.00 44.51 H new ATOM 0 HZ3 LYS A 58 20.856 11.737 14.415 1.00 44.51 H new ATOM 722 N GLU A 59 22.627 5.580 14.314 1.00 73.12 N ATOM 723 CA GLU A 59 22.055 4.719 15.342 1.00 21.43 C ATOM 724 C GLU A 59 22.380 3.253 15.067 1.00 53.22 C ATOM 725 O GLU A 59 22.686 2.490 15.984 1.00 4.30 O ATOM 726 CB GLU A 59 20.539 4.911 15.416 1.00 50.43 C ATOM 727 CG GLU A 59 20.061 5.480 16.741 1.00 2.02 C ATOM 728 CD GLU A 59 19.652 4.401 17.725 1.00 55.30 C ATOM 729 OE1 GLU A 59 18.477 3.980 17.689 1.00 72.41 O ATOM 730 OE2 GLU A 59 20.507 3.979 18.531 1.00 32.31 O ATOM 0 H GLU A 59 21.940 6.022 13.703 1.00 73.12 H new ATOM 0 HA GLU A 59 22.496 4.998 16.299 1.00 21.43 H new ATOM 0 HB2 GLU A 59 20.226 5.576 14.611 1.00 50.43 H new ATOM 0 HB3 GLU A 59 20.051 3.951 15.245 1.00 50.43 H new ATOM 0 HG2 GLU A 59 20.854 6.085 17.180 1.00 2.02 H new ATOM 0 HG3 GLU A 59 19.215 6.144 16.563 1.00 2.02 H new ATOM 737 N LEU A 60 22.309 2.866 13.798 1.00 44.31 N ATOM 738 CA LEU A 60 22.595 1.492 13.400 1.00 0.20 C ATOM 739 C LEU A 60 24.061 1.149 13.643 1.00 62.45 C ATOM 740 O LEU A 60 24.379 0.096 14.195 1.00 41.42 O ATOM 741 CB LEU A 60 22.248 1.285 11.925 1.00 41.03 C ATOM 742 CG LEU A 60 22.105 -0.167 11.466 1.00 12.33 C ATOM 743 CD1 LEU A 60 20.924 -0.313 10.519 1.00 31.43 C ATOM 744 CD2 LEU A 60 23.387 -0.645 10.801 1.00 41.12 C ATOM 0 H LEU A 60 22.056 3.484 13.027 1.00 44.31 H new ATOM 0 HA LEU A 60 21.980 0.828 14.008 1.00 0.20 H new ATOM 0 HB2 LEU A 60 21.313 1.805 11.716 1.00 41.03 H new ATOM 0 HB3 LEU A 60 23.020 1.762 11.321 1.00 41.03 H new ATOM 0 HG LEU A 60 21.921 -0.789 12.342 1.00 12.33 H new ATOM 0 HD11 LEU A 60 20.838 -1.353 10.203 1.00 31.43 H new ATOM 0 HD12 LEU A 60 20.009 -0.012 11.029 1.00 31.43 H new ATOM 0 HD13 LEU A 60 21.078 0.320 9.645 1.00 31.43 H new ATOM 0 HD21 LEU A 60 23.267 -1.680 10.481 1.00 41.12 H new ATOM 0 HD22 LEU A 60 23.602 -0.020 9.934 1.00 41.12 H new ATOM 0 HD23 LEU A 60 24.212 -0.578 11.511 1.00 41.12 H new ATOM 756 N ASN A 61 24.950 2.045 13.227 1.00 2.12 N ATOM 757 CA ASN A 61 26.383 1.838 13.401 1.00 63.42 C ATOM 758 C ASN A 61 26.776 1.954 14.871 1.00 73.14 C ATOM 759 O ASN A 61 27.704 1.289 15.330 1.00 5.22 O ATOM 760 CB ASN A 61 27.171 2.852 12.569 1.00 21.03 C ATOM 761 CG ASN A 61 27.530 2.319 11.195 1.00 14.34 C ATOM 762 OD1 ASN A 61 27.310 2.984 10.183 1.00 54.21 O ATOM 763 ND2 ASN A 61 28.085 1.114 11.155 1.00 72.32 N ATOM 0 H ASN A 61 24.703 2.921 12.767 1.00 2.12 H new ATOM 0 HA ASN A 61 26.623 0.832 13.058 1.00 63.42 H new ATOM 0 HB2 ASN A 61 26.583 3.763 12.460 1.00 21.03 H new ATOM 0 HB3 ASN A 61 28.083 3.123 13.100 1.00 21.03 H new ATOM 0 HD21 ASN A 61 28.348 0.703 10.259 1.00 72.32 H new ATOM 0 HD22 ASN A 61 28.249 0.599 12.020 1.00 72.32 H new ATOM 770 N ASP A 62 26.062 2.802 15.602 1.00 35.14 N ATOM 771 CA ASP A 62 26.333 3.004 17.021 1.00 43.52 C ATOM 772 C ASP A 62 25.826 1.825 17.845 1.00 5.21 C ATOM 773 O ASP A 62 26.404 1.480 18.876 1.00 4.10 O ATOM 774 CB ASP A 62 25.682 4.300 17.507 1.00 74.02 C ATOM 775 CG ASP A 62 25.745 4.450 19.014 1.00 33.31 C ATOM 776 OD1 ASP A 62 26.760 4.032 19.610 1.00 33.03 O ATOM 777 OD2 ASP A 62 24.779 4.985 19.598 1.00 45.44 O ATOM 0 H ASP A 62 25.291 3.361 15.236 1.00 35.14 H new ATOM 0 HA ASP A 62 27.413 3.077 17.152 1.00 43.52 H new ATOM 0 HB2 ASP A 62 26.178 5.150 17.039 1.00 74.02 H new ATOM 0 HB3 ASP A 62 24.641 4.323 17.186 1.00 74.02 H new ATOM 782 N LYS A 63 24.742 1.211 17.385 1.00 62.44 N ATOM 783 CA LYS A 63 24.156 0.070 18.078 1.00 22.30 C ATOM 784 C LYS A 63 25.108 -1.122 18.065 1.00 71.31 C ATOM 785 O LYS A 63 25.101 -1.945 18.982 1.00 62.25 O ATOM 786 CB LYS A 63 22.826 -0.319 17.429 1.00 32.23 C ATOM 787 CG LYS A 63 22.314 -1.682 17.862 1.00 72.34 C ATOM 788 CD LYS A 63 22.481 -2.716 16.760 1.00 4.24 C ATOM 789 CE LYS A 63 23.466 -3.803 17.162 1.00 65.14 C ATOM 790 NZ LYS A 63 23.068 -4.472 18.431 1.00 52.20 N ATOM 0 H LYS A 63 24.251 1.485 16.534 1.00 62.44 H new ATOM 0 HA LYS A 63 23.977 0.359 19.114 1.00 22.30 H new ATOM 0 HB2 LYS A 63 22.078 0.435 17.673 1.00 32.23 H new ATOM 0 HB3 LYS A 63 22.944 -0.312 16.345 1.00 32.23 H new ATOM 0 HG2 LYS A 63 22.852 -2.008 18.752 1.00 72.34 H new ATOM 0 HG3 LYS A 63 21.261 -1.607 18.135 1.00 72.34 H new ATOM 0 HD2 LYS A 63 21.515 -3.165 16.531 1.00 4.24 H new ATOM 0 HD3 LYS A 63 22.828 -2.227 15.850 1.00 4.24 H new ATOM 0 HE2 LYS A 63 23.533 -4.545 16.366 1.00 65.14 H new ATOM 0 HE3 LYS A 63 24.459 -3.369 17.277 1.00 65.14 H new ATOM 0 HZ1 LYS A 63 23.592 -5.365 18.532 1.00 52.20 H new ATOM 0 HZ2 LYS A 63 23.287 -3.850 19.235 1.00 52.20 H new ATOM 0 HZ3 LYS A 63 22.047 -4.669 18.414 1.00 52.20 H new ATOM 804 N LEU A 64 25.926 -1.209 17.022 1.00 50.21 N ATOM 805 CA LEU A 64 26.885 -2.300 16.890 1.00 4.15 C ATOM 806 C LEU A 64 27.694 -2.471 18.172 1.00 20.44 C ATOM 807 O LEU A 64 28.079 -3.583 18.531 1.00 32.40 O ATOM 808 CB LEU A 64 27.825 -2.040 15.712 1.00 3.40 C ATOM 809 CG LEU A 64 27.515 -2.804 14.424 1.00 12.54 C ATOM 810 CD1 LEU A 64 26.767 -1.914 13.443 1.00 33.34 C ATOM 811 CD2 LEU A 64 28.796 -3.334 13.797 1.00 53.43 C ATOM 0 H LEU A 64 25.944 -0.537 16.255 1.00 50.21 H new ATOM 0 HA LEU A 64 26.329 -3.219 16.707 1.00 4.15 H new ATOM 0 HB2 LEU A 64 27.810 -0.973 15.490 1.00 3.40 H new ATOM 0 HB3 LEU A 64 28.840 -2.287 16.022 1.00 3.40 H new ATOM 0 HG LEU A 64 26.878 -3.653 14.672 1.00 12.54 H new ATOM 0 HD11 LEU A 64 26.555 -2.474 12.532 1.00 33.34 H new ATOM 0 HD12 LEU A 64 25.830 -1.584 13.892 1.00 33.34 H new ATOM 0 HD13 LEU A 64 27.379 -1.045 13.200 1.00 33.34 H new ATOM 0 HD21 LEU A 64 28.556 -3.875 12.882 1.00 53.43 H new ATOM 0 HD22 LEU A 64 29.459 -2.501 13.563 1.00 53.43 H new ATOM 0 HD23 LEU A 64 29.292 -4.007 14.497 1.00 53.43 H new ATOM 823 N ASN A 65 27.946 -1.362 18.860 1.00 61.12 N ATOM 824 CA ASN A 65 28.708 -1.390 20.103 1.00 14.13 C ATOM 825 C ASN A 65 28.092 -2.371 21.096 1.00 12.14 C ATOM 826 O ASN A 65 28.804 -3.062 21.825 1.00 2.41 O ATOM 827 CB ASN A 65 28.767 0.009 20.721 1.00 73.32 C ATOM 828 CG ASN A 65 30.172 0.580 20.726 1.00 74.44 C ATOM 829 OD1 ASN A 65 30.866 0.541 21.741 1.00 31.15 O ATOM 830 ND2 ASN A 65 30.597 1.114 19.587 1.00 71.14 N ATOM 0 H ASN A 65 27.634 -0.433 18.578 1.00 61.12 H new ATOM 0 HA ASN A 65 29.721 -1.721 19.872 1.00 14.13 H new ATOM 0 HB2 ASN A 65 28.108 0.677 20.166 1.00 73.32 H new ATOM 0 HB3 ASN A 65 28.391 -0.032 21.743 1.00 73.32 H new ATOM 0 HD21 ASN A 65 31.534 1.514 19.529 1.00 71.14 H new ATOM 0 HD22 ASN A 65 29.987 1.124 18.770 1.00 71.14 H new ATOM 837 N ASP A 66 26.765 -2.427 21.119 1.00 52.52 N ATOM 838 CA ASP A 66 26.052 -3.324 22.021 1.00 42.12 C ATOM 839 C ASP A 66 26.379 -4.781 21.708 1.00 52.21 C ATOM 840 O ASP A 66 26.768 -5.544 22.592 1.00 23.01 O ATOM 841 CB ASP A 66 24.544 -3.093 21.918 1.00 52.00 C ATOM 842 CG ASP A 66 23.969 -2.458 23.169 1.00 74.51 C ATOM 843 OD1 ASP A 66 24.422 -1.355 23.536 1.00 3.32 O ATOM 844 OD2 ASP A 66 23.065 -3.066 23.781 1.00 23.13 O ATOM 0 H ASP A 66 26.161 -1.861 20.523 1.00 52.52 H new ATOM 0 HA ASP A 66 26.375 -3.108 23.039 1.00 42.12 H new ATOM 0 HB2 ASP A 66 24.335 -2.453 21.060 1.00 52.00 H new ATOM 0 HB3 ASP A 66 24.045 -4.045 21.735 1.00 52.00 H new ATOM 849 N TYR A 67 26.217 -5.160 20.445 1.00 14.02 N ATOM 850 CA TYR A 67 26.491 -6.526 20.016 1.00 34.32 C ATOM 851 C TYR A 67 27.969 -6.864 20.184 1.00 40.33 C ATOM 852 O TYR A 67 28.331 -8.014 20.433 1.00 53.02 O ATOM 853 CB TYR A 67 26.074 -6.718 18.557 1.00 65.11 C ATOM 854 CG TYR A 67 27.239 -6.946 17.620 1.00 21.31 C ATOM 855 CD1 TYR A 67 27.829 -8.199 17.505 1.00 1.14 C ATOM 856 CD2 TYR A 67 27.749 -5.909 16.849 1.00 50.03 C ATOM 857 CE1 TYR A 67 28.894 -8.411 16.651 1.00 32.53 C ATOM 858 CE2 TYR A 67 28.812 -6.113 15.991 1.00 45.22 C ATOM 859 CZ TYR A 67 29.382 -7.366 15.896 1.00 13.51 C ATOM 860 OH TYR A 67 30.441 -7.574 15.043 1.00 3.40 O ATOM 0 H TYR A 67 25.897 -4.540 19.701 1.00 14.02 H new ATOM 0 HA TYR A 67 25.910 -7.201 20.644 1.00 34.32 H new ATOM 0 HB2 TYR A 67 25.394 -7.567 18.491 1.00 65.11 H new ATOM 0 HB3 TYR A 67 25.520 -5.839 18.227 1.00 65.11 H new ATOM 0 HD1 TYR A 67 27.448 -9.021 18.093 1.00 1.14 H new ATOM 0 HD2 TYR A 67 27.307 -4.926 16.922 1.00 50.03 H new ATOM 0 HE1 TYR A 67 29.342 -9.391 16.575 1.00 32.53 H new ATOM 0 HE2 TYR A 67 29.195 -5.296 15.398 1.00 45.22 H new ATOM 0 HH TYR A 67 30.661 -6.736 14.585 1.00 3.40 H new ATOM 870 N TYR A 68 28.819 -5.852 20.046 1.00 70.32 N ATOM 871 CA TYR A 68 30.259 -6.040 20.180 1.00 73.13 C ATOM 872 C TYR A 68 30.592 -6.808 21.455 1.00 34.22 C ATOM 873 O TYR A 68 31.547 -7.583 21.495 1.00 75.30 O ATOM 874 CB TYR A 68 30.972 -4.687 20.185 1.00 64.21 C ATOM 875 CG TYR A 68 31.761 -4.414 18.924 1.00 53.31 C ATOM 876 CD1 TYR A 68 31.119 -4.246 17.703 1.00 70.21 C ATOM 877 CD2 TYR A 68 33.147 -4.324 18.953 1.00 13.42 C ATOM 878 CE1 TYR A 68 31.835 -3.997 16.548 1.00 51.20 C ATOM 879 CE2 TYR A 68 33.871 -4.073 17.804 1.00 73.03 C ATOM 880 CZ TYR A 68 33.210 -3.911 16.604 1.00 44.44 C ATOM 881 OH TYR A 68 33.928 -3.662 15.456 1.00 21.30 O ATOM 0 H TYR A 68 28.536 -4.894 19.842 1.00 70.32 H new ATOM 0 HA TYR A 68 30.605 -6.623 19.326 1.00 73.13 H new ATOM 0 HB2 TYR A 68 30.233 -3.897 20.320 1.00 64.21 H new ATOM 0 HB3 TYR A 68 31.645 -4.643 21.041 1.00 64.21 H new ATOM 0 HD1 TYR A 68 30.042 -4.311 17.656 1.00 70.21 H new ATOM 0 HD2 TYR A 68 33.667 -4.453 19.891 1.00 13.42 H new ATOM 0 HE1 TYR A 68 31.321 -3.870 15.607 1.00 51.20 H new ATOM 0 HE2 TYR A 68 34.948 -4.004 17.845 1.00 73.03 H new ATOM 0 HH TYR A 68 34.884 -3.631 15.668 1.00 21.30 H new ATOM 891 N ALA A 69 29.796 -6.587 22.496 1.00 15.22 N ATOM 892 CA ALA A 69 30.003 -7.259 23.773 1.00 74.12 C ATOM 893 C ALA A 69 30.055 -8.773 23.594 1.00 12.41 C ATOM 894 O ALA A 69 30.722 -9.475 24.354 1.00 21.25 O ATOM 895 CB ALA A 69 28.903 -6.879 24.754 1.00 63.12 C ATOM 0 H ALA A 69 29.002 -5.948 22.480 1.00 15.22 H new ATOM 0 HA ALA A 69 30.962 -6.934 24.176 1.00 74.12 H new ATOM 0 HB1 ALA A 69 29.070 -7.388 25.703 1.00 63.12 H new ATOM 0 HB2 ALA A 69 28.914 -5.801 24.914 1.00 63.12 H new ATOM 0 HB3 ALA A 69 27.936 -7.176 24.349 1.00 63.12 H new ATOM 901 N LEU A 70 29.347 -9.269 22.586 1.00 73.22 N ATOM 902 CA LEU A 70 29.312 -10.701 22.307 1.00 12.24 C ATOM 903 C LEU A 70 30.706 -11.226 21.980 1.00 72.02 C ATOM 904 O LEU A 70 30.954 -12.431 22.027 1.00 4.00 O ATOM 905 CB LEU A 70 28.359 -10.992 21.147 1.00 51.44 C ATOM 906 CG LEU A 70 27.870 -12.435 21.025 1.00 21.30 C ATOM 907 CD1 LEU A 70 26.389 -12.527 21.357 1.00 73.03 C ATOM 908 CD2 LEU A 70 28.140 -12.974 19.628 1.00 50.24 C ATOM 0 H LEU A 70 28.789 -8.701 21.948 1.00 73.22 H new ATOM 0 HA LEU A 70 28.952 -11.211 23.200 1.00 12.24 H new ATOM 0 HB2 LEU A 70 27.489 -10.342 21.246 1.00 51.44 H new ATOM 0 HB3 LEU A 70 28.857 -10.719 20.217 1.00 51.44 H new ATOM 0 HG LEU A 70 28.420 -13.046 21.741 1.00 21.30 H new ATOM 0 HD11 LEU A 70 26.059 -13.562 21.265 1.00 73.03 H new ATOM 0 HD12 LEU A 70 26.223 -12.183 22.378 1.00 73.03 H new ATOM 0 HD13 LEU A 70 25.822 -11.902 20.667 1.00 73.03 H new ATOM 0 HD21 LEU A 70 27.785 -14.002 19.560 1.00 50.24 H new ATOM 0 HD22 LEU A 70 27.617 -12.361 18.894 1.00 50.24 H new ATOM 0 HD23 LEU A 70 29.211 -12.946 19.428 1.00 50.24 H new ATOM 920 N LYS A 71 31.614 -10.314 21.649 1.00 15.33 N ATOM 921 CA LYS A 71 32.984 -10.683 21.317 1.00 4.11 C ATOM 922 C LYS A 71 33.564 -11.624 22.368 1.00 4.02 C ATOM 923 O LYS A 71 34.392 -12.482 22.059 1.00 51.12 O ATOM 924 CB LYS A 71 33.857 -9.431 21.200 1.00 24.44 C ATOM 925 CG LYS A 71 34.082 -8.721 22.524 1.00 51.21 C ATOM 926 CD LYS A 71 35.062 -7.568 22.379 1.00 75.41 C ATOM 927 CE LYS A 71 34.342 -6.230 22.311 1.00 72.22 C ATOM 928 NZ LYS A 71 33.656 -5.904 23.592 1.00 54.35 N ATOM 0 H LYS A 71 31.425 -9.313 21.604 1.00 15.33 H new ATOM 0 HA LYS A 71 32.972 -11.201 20.358 1.00 4.11 H new ATOM 0 HB2 LYS A 71 34.823 -9.710 20.778 1.00 24.44 H new ATOM 0 HB3 LYS A 71 33.391 -8.737 20.500 1.00 24.44 H new ATOM 0 HG2 LYS A 71 33.131 -8.346 22.903 1.00 51.21 H new ATOM 0 HG3 LYS A 71 34.461 -9.431 23.259 1.00 51.21 H new ATOM 0 HD2 LYS A 71 35.753 -7.568 23.222 1.00 75.41 H new ATOM 0 HD3 LYS A 71 35.659 -7.707 21.478 1.00 75.41 H new ATOM 0 HE2 LYS A 71 35.058 -5.444 22.072 1.00 72.22 H new ATOM 0 HE3 LYS A 71 33.611 -6.252 21.503 1.00 72.22 H new ATOM 0 HZ1 LYS A 71 32.643 -5.748 23.414 1.00 54.35 H new ATOM 0 HZ2 LYS A 71 33.772 -6.694 24.259 1.00 54.35 H new ATOM 0 HZ3 LYS A 71 34.073 -5.043 23.999 1.00 54.35 H new ATOM 942 N HIS A 72 33.124 -11.459 23.611 1.00 10.25 N ATOM 943 CA HIS A 72 33.598 -12.296 24.708 1.00 3.50 C ATOM 944 C HIS A 72 33.507 -13.774 24.342 1.00 15.13 C ATOM 945 O HIS A 72 34.321 -14.585 24.784 1.00 54.11 O ATOM 946 CB HIS A 72 32.788 -12.020 25.975 1.00 73.31 C ATOM 947 CG HIS A 72 33.522 -11.199 26.989 1.00 24.35 C ATOM 948 ND1 HIS A 72 33.590 -11.537 28.325 1.00 64.14 N ATOM 949 CD2 HIS A 72 34.225 -10.050 26.857 1.00 0.15 C ATOM 950 CE1 HIS A 72 34.302 -10.630 28.970 1.00 34.13 C ATOM 951 NE2 HIS A 72 34.699 -9.717 28.103 1.00 52.04 N ATOM 0 H HIS A 72 32.440 -10.753 23.884 1.00 10.25 H new ATOM 0 HA HIS A 72 34.643 -12.050 24.895 1.00 3.50 H new ATOM 0 HB2 HIS A 72 31.866 -11.506 25.702 1.00 73.31 H new ATOM 0 HB3 HIS A 72 32.502 -12.970 26.427 1.00 73.31 H new ATOM 0 HD2 HIS A 72 34.384 -9.498 25.943 1.00 0.15 H new ATOM 0 HE1 HIS A 72 34.522 -10.635 30.027 1.00 34.13 H new ATOM 0 HE2 HIS A 72 35.265 -8.898 28.322 1.00 52.04 H new ATOM 959 N VAL A 73 32.509 -14.118 23.533 1.00 4.32 N ATOM 960 CA VAL A 73 32.311 -15.498 23.108 1.00 63.21 C ATOM 961 C VAL A 73 32.783 -15.704 21.673 1.00 72.12 C ATOM 962 O VAL A 73 32.176 -15.219 20.718 1.00 52.31 O ATOM 963 CB VAL A 73 30.831 -15.911 23.215 1.00 64.53 C ATOM 964 CG1 VAL A 73 30.664 -17.388 22.889 1.00 43.22 C ATOM 965 CG2 VAL A 73 30.290 -15.599 24.601 1.00 0.54 C ATOM 0 H VAL A 73 31.826 -13.459 23.159 1.00 4.32 H new ATOM 0 HA VAL A 73 32.904 -16.123 23.775 1.00 63.21 H new ATOM 0 HB VAL A 73 30.258 -15.336 22.488 1.00 64.53 H new ATOM 0 HG11 VAL A 73 29.612 -17.662 22.970 1.00 43.22 H new ATOM 0 HG12 VAL A 73 31.011 -17.578 21.873 1.00 43.22 H new ATOM 0 HG13 VAL A 73 31.249 -17.984 23.590 1.00 43.22 H new ATOM 0 HG21 VAL A 73 29.243 -15.897 24.659 1.00 0.54 H new ATOM 0 HG22 VAL A 73 30.865 -16.147 25.348 1.00 0.54 H new ATOM 0 HG23 VAL A 73 30.373 -14.529 24.792 1.00 0.54 H new ATOM 975 N PRO A 74 33.892 -16.442 21.514 1.00 12.25 N ATOM 976 CA PRO A 74 34.469 -16.730 20.198 1.00 25.34 C ATOM 977 C PRO A 74 33.602 -17.681 19.380 1.00 2.04 C ATOM 978 O PRO A 74 33.355 -17.449 18.197 1.00 72.53 O ATOM 979 CB PRO A 74 35.811 -17.386 20.536 1.00 74.51 C ATOM 980 CG PRO A 74 35.615 -17.973 21.891 1.00 1.34 C ATOM 981 CD PRO A 74 34.667 -17.052 22.608 1.00 12.30 C ATOM 0 HA PRO A 74 34.559 -15.832 19.587 1.00 25.34 H new ATOM 0 HB2 PRO A 74 36.072 -18.153 19.806 1.00 74.51 H new ATOM 0 HB3 PRO A 74 36.620 -16.656 20.534 1.00 74.51 H new ATOM 0 HG2 PRO A 74 35.205 -18.981 21.824 1.00 1.34 H new ATOM 0 HG3 PRO A 74 36.563 -18.050 22.424 1.00 1.34 H new ATOM 0 HD2 PRO A 74 34.025 -17.596 23.301 1.00 12.30 H new ATOM 0 HD3 PRO A 74 35.200 -16.301 23.191 1.00 12.30 H new ATOM 989 N LYS A 75 33.142 -18.752 20.018 1.00 11.35 N ATOM 990 CA LYS A 75 32.300 -19.738 19.351 1.00 2.41 C ATOM 991 C LYS A 75 31.101 -19.069 18.686 1.00 2.35 C ATOM 992 O LYS A 75 30.703 -19.441 17.582 1.00 34.25 O ATOM 993 CB LYS A 75 31.820 -20.790 20.353 1.00 71.22 C ATOM 994 CG LYS A 75 32.789 -21.946 20.532 1.00 2.24 C ATOM 995 CD LYS A 75 32.854 -22.817 19.289 1.00 25.13 C ATOM 996 CE LYS A 75 34.227 -22.755 18.636 1.00 12.25 C ATOM 997 NZ LYS A 75 34.643 -24.078 18.094 1.00 45.52 N ATOM 0 H LYS A 75 33.338 -18.959 20.997 1.00 11.35 H new ATOM 0 HA LYS A 75 32.896 -20.225 18.579 1.00 2.41 H new ATOM 0 HB2 LYS A 75 31.656 -20.312 21.319 1.00 71.22 H new ATOM 0 HB3 LYS A 75 30.858 -21.181 20.023 1.00 71.22 H new ATOM 0 HG2 LYS A 75 33.782 -21.558 20.758 1.00 2.24 H new ATOM 0 HG3 LYS A 75 32.482 -22.551 21.385 1.00 2.24 H new ATOM 0 HD2 LYS A 75 32.622 -23.849 19.554 1.00 25.13 H new ATOM 0 HD3 LYS A 75 32.096 -22.493 18.576 1.00 25.13 H new ATOM 0 HE2 LYS A 75 34.213 -22.021 17.831 1.00 12.25 H new ATOM 0 HE3 LYS A 75 34.961 -22.414 19.366 1.00 12.25 H new ATOM 0 HZ1 LYS A 75 35.583 -23.994 17.657 1.00 45.52 H new ATOM 0 HZ2 LYS A 75 34.681 -24.773 18.866 1.00 45.52 H new ATOM 0 HZ3 LYS A 75 33.956 -24.392 17.379 1.00 45.52 H new ATOM 1011 N CYS A 76 30.531 -18.079 19.365 1.00 53.44 N ATOM 1012 CA CYS A 76 29.378 -17.357 18.840 1.00 11.40 C ATOM 1013 C CYS A 76 29.821 -16.165 17.995 1.00 34.33 C ATOM 1014 O CYS A 76 29.143 -15.781 17.042 1.00 34.14 O ATOM 1015 CB CYS A 76 28.484 -16.879 19.986 1.00 21.02 C ATOM 1016 SG CYS A 76 27.510 -18.203 20.771 1.00 74.35 S ATOM 0 H CYS A 76 30.849 -17.758 20.280 1.00 53.44 H new ATOM 0 HA CYS A 76 28.812 -18.039 18.206 1.00 11.40 H new ATOM 0 HB2 CYS A 76 29.106 -16.402 20.743 1.00 21.02 H new ATOM 0 HB3 CYS A 76 27.803 -16.117 19.608 1.00 21.02 H new ATOM 1021 N TRP A 77 30.961 -15.586 18.352 1.00 63.23 N ATOM 1022 CA TRP A 77 31.495 -14.439 17.626 1.00 11.35 C ATOM 1023 C TRP A 77 31.642 -14.753 16.142 1.00 71.51 C ATOM 1024 O TRP A 77 31.121 -14.033 15.291 1.00 73.41 O ATOM 1025 CB TRP A 77 32.847 -14.025 18.209 1.00 22.12 C ATOM 1026 CG TRP A 77 33.664 -13.184 17.275 1.00 23.43 C ATOM 1027 CD1 TRP A 77 34.983 -13.353 16.962 1.00 52.11 C ATOM 1028 CD2 TRP A 77 33.217 -12.043 16.536 1.00 73.01 C ATOM 1029 NE1 TRP A 77 35.382 -12.385 16.072 1.00 11.11 N ATOM 1030 CE2 TRP A 77 34.317 -11.570 15.794 1.00 12.42 C ATOM 1031 CE3 TRP A 77 31.994 -11.376 16.426 1.00 34.23 C ATOM 1032 CZ2 TRP A 77 34.228 -10.460 14.957 1.00 21.44 C ATOM 1033 CZ3 TRP A 77 31.907 -10.275 15.596 1.00 63.23 C ATOM 1034 CH2 TRP A 77 33.018 -9.827 14.869 1.00 5.44 C ATOM 0 H TRP A 77 31.533 -15.891 19.139 1.00 63.23 H new ATOM 0 HA TRP A 77 30.792 -13.613 17.735 1.00 11.35 H new ATOM 0 HB2 TRP A 77 32.682 -13.472 19.134 1.00 22.12 H new ATOM 0 HB3 TRP A 77 33.412 -14.920 18.469 1.00 22.12 H new ATOM 0 HD1 TRP A 77 35.618 -14.132 17.356 1.00 52.11 H new ATOM 0 HE1 TRP A 77 36.319 -12.289 15.682 1.00 11.11 H new ATOM 0 HE3 TRP A 77 31.132 -11.715 16.980 1.00 34.23 H new ATOM 0 HZ2 TRP A 77 35.083 -10.111 14.397 1.00 21.44 H new ATOM 0 HZ3 TRP A 77 30.967 -9.751 15.506 1.00 63.23 H new ATOM 0 HH2 TRP A 77 32.917 -8.965 14.226 1.00 5.44 H new ATOM 1045 N ALA A 78 32.355 -15.833 15.838 1.00 34.30 N ATOM 1046 CA ALA A 78 32.568 -16.244 14.456 1.00 54.12 C ATOM 1047 C ALA A 78 31.258 -16.674 13.803 1.00 44.33 C ATOM 1048 O ALA A 78 31.191 -16.859 12.588 1.00 24.30 O ATOM 1049 CB ALA A 78 33.587 -17.372 14.391 1.00 11.34 C ATOM 0 H ALA A 78 32.795 -16.439 16.531 1.00 34.30 H new ATOM 0 HA ALA A 78 32.955 -15.387 13.904 1.00 54.12 H new ATOM 0 HB1 ALA A 78 33.736 -17.669 13.353 1.00 11.34 H new ATOM 0 HB2 ALA A 78 34.534 -17.032 14.810 1.00 11.34 H new ATOM 0 HB3 ALA A 78 33.222 -18.225 14.963 1.00 11.34 H new ATOM 1055 N ALA A 79 30.220 -16.831 14.617 1.00 11.30 N ATOM 1056 CA ALA A 79 28.912 -17.237 14.118 1.00 63.52 C ATOM 1057 C ALA A 79 28.210 -16.082 13.413 1.00 42.04 C ATOM 1058 O ALA A 79 27.496 -16.284 12.430 1.00 21.30 O ATOM 1059 CB ALA A 79 28.052 -17.764 15.257 1.00 5.45 C ATOM 0 H ALA A 79 30.259 -16.683 15.625 1.00 11.30 H new ATOM 0 HA ALA A 79 29.061 -18.035 13.391 1.00 63.52 H new ATOM 0 HB1 ALA A 79 27.078 -18.063 14.869 1.00 5.45 H new ATOM 0 HB2 ALA A 79 28.541 -18.624 15.714 1.00 5.45 H new ATOM 0 HB3 ALA A 79 27.920 -16.982 16.005 1.00 5.45 H new ATOM 1065 N ILE A 80 28.417 -14.872 13.921 1.00 50.34 N ATOM 1066 CA ILE A 80 27.804 -13.685 13.338 1.00 13.54 C ATOM 1067 C ILE A 80 28.765 -12.980 12.387 1.00 55.31 C ATOM 1068 O ILE A 80 28.518 -11.851 11.964 1.00 15.44 O ATOM 1069 CB ILE A 80 27.356 -12.691 14.427 1.00 72.13 C ATOM 1070 CG1 ILE A 80 26.322 -11.714 13.862 1.00 30.53 C ATOM 1071 CG2 ILE A 80 28.555 -11.938 14.983 1.00 63.33 C ATOM 1072 CD1 ILE A 80 25.976 -10.587 14.809 1.00 3.51 C ATOM 0 H ILE A 80 29.004 -14.688 14.735 1.00 50.34 H new ATOM 0 HA ILE A 80 26.929 -14.022 12.782 1.00 13.54 H new ATOM 0 HB ILE A 80 26.894 -13.250 15.241 1.00 72.13 H new ATOM 0 HG12 ILE A 80 26.703 -11.292 12.932 1.00 30.53 H new ATOM 0 HG13 ILE A 80 25.413 -12.262 13.615 1.00 30.53 H new ATOM 0 HG21 ILE A 80 28.222 -11.240 15.751 1.00 63.33 H new ATOM 0 HG22 ILE A 80 29.260 -12.647 15.418 1.00 63.33 H new ATOM 0 HG23 ILE A 80 29.043 -11.387 14.179 1.00 63.33 H new ATOM 0 HD11 ILE A 80 25.238 -9.934 14.343 1.00 3.51 H new ATOM 0 HD12 ILE A 80 25.565 -10.999 15.731 1.00 3.51 H new ATOM 0 HD13 ILE A 80 26.875 -10.014 15.037 1.00 3.51 H new ATOM 1084 N GLN A 81 29.860 -13.655 12.053 1.00 14.11 N ATOM 1085 CA GLN A 81 30.857 -13.093 11.150 1.00 22.30 C ATOM 1086 C GLN A 81 30.240 -12.760 9.796 1.00 74.52 C ATOM 1087 O GLN A 81 30.237 -11.612 9.353 1.00 14.41 O ATOM 1088 CB GLN A 81 32.019 -14.071 10.968 1.00 71.55 C ATOM 1089 CG GLN A 81 33.363 -13.508 11.400 1.00 52.52 C ATOM 1090 CD GLN A 81 34.312 -14.579 11.899 1.00 12.13 C ATOM 1091 OE1 GLN A 81 34.473 -15.624 11.269 1.00 23.41 O ATOM 1092 NE2 GLN A 81 34.946 -14.324 13.038 1.00 64.14 N ATOM 0 H GLN A 81 30.079 -14.591 12.394 1.00 14.11 H new ATOM 0 HA GLN A 81 31.233 -12.171 11.593 1.00 22.30 H new ATOM 0 HB2 GLN A 81 31.813 -14.976 11.539 1.00 71.55 H new ATOM 0 HB3 GLN A 81 32.077 -14.362 9.919 1.00 71.55 H new ATOM 0 HG2 GLN A 81 33.821 -12.986 10.560 1.00 52.52 H new ATOM 0 HG3 GLN A 81 33.207 -12.771 12.187 1.00 52.52 H new ATOM 0 HE21 GLN A 81 34.782 -13.444 13.527 1.00 64.14 H new ATOM 0 HE22 GLN A 81 35.597 -15.008 13.424 1.00 64.14 H new ATOM 1101 N PRO A 82 29.704 -13.788 9.121 1.00 71.14 N ATOM 1102 CA PRO A 82 29.073 -13.629 7.807 1.00 63.42 C ATOM 1103 C PRO A 82 27.755 -12.866 7.885 1.00 64.22 C ATOM 1104 O PRO A 82 27.386 -12.149 6.955 1.00 1.40 O ATOM 1105 CB PRO A 82 28.830 -15.071 7.353 1.00 23.14 C ATOM 1106 CG PRO A 82 28.741 -15.855 8.617 1.00 73.52 C ATOM 1107 CD PRO A 82 29.672 -15.184 9.588 1.00 60.21 C ATOM 0 HA PRO A 82 29.695 -13.052 7.124 1.00 63.42 H new ATOM 0 HB2 PRO A 82 27.913 -15.154 6.770 1.00 23.14 H new ATOM 0 HB3 PRO A 82 29.642 -15.430 6.721 1.00 23.14 H new ATOM 0 HG2 PRO A 82 27.720 -15.865 8.999 1.00 73.52 H new ATOM 0 HG3 PRO A 82 29.030 -16.893 8.453 1.00 73.52 H new ATOM 0 HD2 PRO A 82 29.305 -15.257 10.612 1.00 60.21 H new ATOM 0 HD3 PRO A 82 30.664 -15.636 9.572 1.00 60.21 H new ATOM 1115 N PHE A 83 27.050 -13.025 9.000 1.00 70.23 N ATOM 1116 CA PHE A 83 25.772 -12.351 9.199 1.00 63.13 C ATOM 1117 C PHE A 83 25.983 -10.892 9.592 1.00 14.11 C ATOM 1118 O PHE A 83 25.066 -10.074 9.501 1.00 42.13 O ATOM 1119 CB PHE A 83 24.955 -13.069 10.275 1.00 2.41 C ATOM 1120 CG PHE A 83 23.601 -12.461 10.504 1.00 33.10 C ATOM 1121 CD1 PHE A 83 22.810 -12.076 9.434 1.00 51.35 C ATOM 1122 CD2 PHE A 83 23.118 -12.276 11.790 1.00 42.15 C ATOM 1123 CE1 PHE A 83 21.564 -11.516 9.642 1.00 54.34 C ATOM 1124 CE2 PHE A 83 21.872 -11.717 12.004 1.00 44.33 C ATOM 1125 CZ PHE A 83 21.094 -11.337 10.928 1.00 33.11 C ATOM 0 H PHE A 83 27.342 -13.615 9.780 1.00 70.23 H new ATOM 0 HA PHE A 83 25.223 -12.379 8.258 1.00 63.13 H new ATOM 0 HB2 PHE A 83 24.832 -14.114 9.990 1.00 2.41 H new ATOM 0 HB3 PHE A 83 25.513 -13.058 11.211 1.00 2.41 H new ATOM 0 HD1 PHE A 83 23.171 -12.215 8.426 1.00 51.35 H new ATOM 0 HD2 PHE A 83 23.722 -12.572 12.635 1.00 42.15 H new ATOM 0 HE1 PHE A 83 20.958 -11.218 8.799 1.00 54.34 H new ATOM 0 HE2 PHE A 83 21.507 -11.578 13.011 1.00 44.33 H new ATOM 0 HZ PHE A 83 20.120 -10.901 11.092 1.00 33.11 H new ATOM 1135 N LEU A 84 27.195 -10.573 10.031 1.00 42.23 N ATOM 1136 CA LEU A 84 27.528 -9.212 10.439 1.00 34.32 C ATOM 1137 C LEU A 84 27.164 -8.212 9.347 1.00 44.42 C ATOM 1138 O LEU A 84 26.961 -7.028 9.617 1.00 3.40 O ATOM 1139 CB LEU A 84 29.018 -9.107 10.768 1.00 72.20 C ATOM 1140 CG LEU A 84 29.370 -8.356 12.052 1.00 4.13 C ATOM 1141 CD1 LEU A 84 29.161 -6.861 11.871 1.00 44.45 C ATOM 1142 CD2 LEU A 84 28.541 -8.874 13.218 1.00 22.42 C ATOM 0 H LEU A 84 27.964 -11.238 10.114 1.00 42.23 H new ATOM 0 HA LEU A 84 26.948 -8.974 11.331 1.00 34.32 H new ATOM 0 HB2 LEU A 84 29.426 -10.115 10.837 1.00 72.20 H new ATOM 0 HB3 LEU A 84 29.520 -8.616 9.934 1.00 72.20 H new ATOM 0 HG LEU A 84 30.423 -8.531 12.274 1.00 4.13 H new ATOM 0 HD11 LEU A 84 29.417 -6.343 12.796 1.00 44.45 H new ATOM 0 HD12 LEU A 84 29.799 -6.499 11.064 1.00 44.45 H new ATOM 0 HD13 LEU A 84 28.117 -6.667 11.623 1.00 44.45 H new ATOM 0 HD21 LEU A 84 28.805 -8.328 14.123 1.00 22.42 H new ATOM 0 HD22 LEU A 84 27.482 -8.730 13.004 1.00 22.42 H new ATOM 0 HD23 LEU A 84 28.741 -9.936 13.363 1.00 22.42 H new ATOM 1154 N CYS A 85 27.082 -8.696 8.112 1.00 41.51 N ATOM 1155 CA CYS A 85 26.741 -7.845 6.978 1.00 65.11 C ATOM 1156 C CYS A 85 25.249 -7.920 6.671 1.00 73.44 C ATOM 1157 O CYS A 85 24.613 -6.908 6.378 1.00 71.21 O ATOM 1158 CB CYS A 85 27.549 -8.256 5.745 1.00 74.02 C ATOM 1159 SG CYS A 85 29.295 -8.640 6.093 1.00 31.03 S ATOM 0 H CYS A 85 27.247 -9.673 7.871 1.00 41.51 H new ATOM 0 HA CYS A 85 26.988 -6.816 7.240 1.00 65.11 H new ATOM 0 HB2 CYS A 85 27.080 -9.129 5.291 1.00 74.02 H new ATOM 0 HB3 CYS A 85 27.505 -7.452 5.010 1.00 74.02 H new ATOM 1164 N ALA A 86 24.696 -9.127 6.740 1.00 61.13 N ATOM 1165 CA ALA A 86 23.279 -9.335 6.471 1.00 15.35 C ATOM 1166 C ALA A 86 22.434 -9.006 7.698 1.00 52.23 C ATOM 1167 O ALA A 86 21.222 -9.221 7.705 1.00 53.00 O ATOM 1168 CB ALA A 86 23.030 -10.768 6.026 1.00 21.21 C ATOM 0 H ALA A 86 25.209 -9.976 6.980 1.00 61.13 H new ATOM 0 HA ALA A 86 22.985 -8.661 5.667 1.00 15.35 H new ATOM 0 HB1 ALA A 86 21.967 -10.908 5.829 1.00 21.21 H new ATOM 0 HB2 ALA A 86 23.598 -10.971 5.118 1.00 21.21 H new ATOM 0 HB3 ALA A 86 23.347 -11.453 6.812 1.00 21.21 H new ATOM 1174 N VAL A 87 23.082 -8.484 8.734 1.00 12.43 N ATOM 1175 CA VAL A 87 22.390 -8.125 9.966 1.00 11.44 C ATOM 1176 C VAL A 87 22.295 -6.611 10.123 1.00 63.14 C ATOM 1177 O VAL A 87 21.304 -6.090 10.633 1.00 11.44 O ATOM 1178 CB VAL A 87 23.099 -8.714 11.200 1.00 12.23 C ATOM 1179 CG1 VAL A 87 24.445 -8.039 11.416 1.00 60.43 C ATOM 1180 CG2 VAL A 87 22.221 -8.576 12.435 1.00 73.31 C ATOM 0 H VAL A 87 24.085 -8.300 8.745 1.00 12.43 H new ATOM 0 HA VAL A 87 21.386 -8.544 9.898 1.00 11.44 H new ATOM 0 HB VAL A 87 23.276 -9.775 11.024 1.00 12.23 H new ATOM 0 HG11 VAL A 87 24.931 -8.468 12.292 1.00 60.43 H new ATOM 0 HG12 VAL A 87 25.074 -8.194 10.540 1.00 60.43 H new ATOM 0 HG13 VAL A 87 24.295 -6.971 11.571 1.00 60.43 H new ATOM 0 HG21 VAL A 87 22.737 -8.997 13.297 1.00 73.31 H new ATOM 0 HG22 VAL A 87 22.012 -7.522 12.617 1.00 73.31 H new ATOM 0 HG23 VAL A 87 21.284 -9.110 12.277 1.00 73.31 H new ATOM 1190 N PHE A 88 23.333 -5.910 9.679 1.00 64.01 N ATOM 1191 CA PHE A 88 23.368 -4.455 9.770 1.00 63.03 C ATOM 1192 C PHE A 88 23.277 -3.821 8.385 1.00 65.45 C ATOM 1193 O PHE A 88 22.534 -2.863 8.175 1.00 75.02 O ATOM 1194 CB PHE A 88 24.650 -3.997 10.469 1.00 34.03 C ATOM 1195 CG PHE A 88 24.889 -4.677 11.787 1.00 63.42 C ATOM 1196 CD1 PHE A 88 23.872 -4.783 12.722 1.00 62.31 C ATOM 1197 CD2 PHE A 88 26.131 -5.212 12.090 1.00 42.41 C ATOM 1198 CE1 PHE A 88 24.090 -5.408 13.935 1.00 24.21 C ATOM 1199 CE2 PHE A 88 26.355 -5.838 13.301 1.00 22.05 C ATOM 1200 CZ PHE A 88 25.333 -5.937 14.225 1.00 70.32 C ATOM 0 H PHE A 88 24.161 -6.326 9.253 1.00 64.01 H new ATOM 0 HA PHE A 88 22.507 -4.132 10.356 1.00 63.03 H new ATOM 0 HB2 PHE A 88 25.500 -4.185 9.813 1.00 34.03 H new ATOM 0 HB3 PHE A 88 24.603 -2.920 10.628 1.00 34.03 H new ATOM 0 HD1 PHE A 88 22.898 -4.373 12.500 1.00 62.31 H new ATOM 0 HD2 PHE A 88 26.933 -5.139 11.371 1.00 42.41 H new ATOM 0 HE1 PHE A 88 23.289 -5.483 14.656 1.00 24.21 H new ATOM 0 HE2 PHE A 88 27.328 -6.250 13.525 1.00 22.05 H new ATOM 0 HZ PHE A 88 25.505 -6.427 15.172 1.00 70.32 H new ATOM 1210 N LYS A 89 24.041 -4.363 7.441 1.00 34.45 N ATOM 1211 CA LYS A 89 24.048 -3.854 6.075 1.00 14.54 C ATOM 1212 C LYS A 89 23.437 -4.867 5.113 1.00 33.32 C ATOM 1213 O LYS A 89 24.139 -5.572 4.387 1.00 11.54 O ATOM 1214 CB LYS A 89 25.476 -3.519 5.641 1.00 25.23 C ATOM 1215 CG LYS A 89 26.044 -2.284 6.318 1.00 43.51 C ATOM 1216 CD LYS A 89 27.121 -2.646 7.327 1.00 42.50 C ATOM 1217 CE LYS A 89 26.950 -1.873 8.626 1.00 45.42 C ATOM 1218 NZ LYS A 89 28.210 -1.837 9.420 1.00 51.03 N ATOM 0 H LYS A 89 24.664 -5.156 7.598 1.00 34.45 H new ATOM 0 HA LYS A 89 23.445 -2.946 6.049 1.00 14.54 H new ATOM 0 HB2 LYS A 89 26.121 -4.370 5.857 1.00 25.23 H new ATOM 0 HB3 LYS A 89 25.493 -3.371 4.561 1.00 25.23 H new ATOM 0 HG2 LYS A 89 26.460 -1.614 5.565 1.00 43.51 H new ATOM 0 HG3 LYS A 89 25.242 -1.742 6.819 1.00 43.51 H new ATOM 0 HD2 LYS A 89 27.085 -3.716 7.532 1.00 42.50 H new ATOM 0 HD3 LYS A 89 28.103 -2.436 6.904 1.00 42.50 H new ATOM 0 HE2 LYS A 89 26.632 -0.855 8.403 1.00 45.42 H new ATOM 0 HE3 LYS A 89 26.159 -2.331 9.220 1.00 45.42 H new ATOM 0 HZ1 LYS A 89 28.052 -1.301 10.297 1.00 51.03 H new ATOM 0 HZ2 LYS A 89 28.500 -2.808 9.654 1.00 51.03 H new ATOM 0 HZ3 LYS A 89 28.958 -1.377 8.863 1.00 51.03 H new ATOM 1232 N PRO A 90 22.098 -4.944 5.104 1.00 14.24 N ATOM 1233 CA PRO A 90 21.363 -5.867 4.234 1.00 2.21 C ATOM 1234 C PRO A 90 21.448 -5.469 2.764 1.00 31.24 C ATOM 1235 O PRO A 90 21.654 -4.300 2.437 1.00 24.35 O ATOM 1236 CB PRO A 90 19.921 -5.756 4.736 1.00 43.12 C ATOM 1237 CG PRO A 90 19.839 -4.404 5.357 1.00 62.23 C ATOM 1238 CD PRO A 90 21.197 -4.135 5.943 1.00 44.40 C ATOM 0 HA PRO A 90 21.767 -6.878 4.278 1.00 2.21 H new ATOM 0 HB2 PRO A 90 19.208 -5.860 3.918 1.00 43.12 H new ATOM 0 HB3 PRO A 90 19.692 -6.539 5.460 1.00 43.12 H new ATOM 0 HG2 PRO A 90 19.577 -3.649 4.616 1.00 62.23 H new ATOM 0 HG3 PRO A 90 19.069 -4.374 6.127 1.00 62.23 H new ATOM 0 HD2 PRO A 90 21.451 -3.076 5.899 1.00 44.40 H new ATOM 0 HD3 PRO A 90 21.249 -4.432 6.990 1.00 44.40 H new ATOM 1246 N LYS A 91 21.287 -6.449 1.881 1.00 12.41 N ATOM 1247 CA LYS A 91 21.343 -6.201 0.445 1.00 21.52 C ATOM 1248 C LYS A 91 20.069 -5.517 -0.040 1.00 31.35 C ATOM 1249 O LYS A 91 18.997 -6.123 -0.062 1.00 11.10 O ATOM 1250 CB LYS A 91 21.549 -7.516 -0.312 1.00 14.44 C ATOM 1251 CG LYS A 91 21.576 -7.350 -1.821 1.00 75.32 C ATOM 1252 CD LYS A 91 22.372 -8.459 -2.489 1.00 52.44 C ATOM 1253 CE LYS A 91 21.872 -8.732 -3.900 1.00 34.15 C ATOM 1254 NZ LYS A 91 22.523 -9.931 -4.497 1.00 1.35 N ATOM 0 H LYS A 91 21.117 -7.422 2.135 1.00 12.41 H new ATOM 0 HA LYS A 91 22.186 -5.539 0.248 1.00 21.52 H new ATOM 0 HB2 LYS A 91 22.486 -7.969 0.012 1.00 14.44 H new ATOM 0 HB3 LYS A 91 20.751 -8.208 -0.045 1.00 14.44 H new ATOM 0 HG2 LYS A 91 20.556 -7.350 -2.206 1.00 75.32 H new ATOM 0 HG3 LYS A 91 22.013 -6.384 -2.074 1.00 75.32 H new ATOM 0 HD2 LYS A 91 23.426 -8.183 -2.522 1.00 52.44 H new ATOM 0 HD3 LYS A 91 22.300 -9.369 -1.894 1.00 52.44 H new ATOM 0 HE2 LYS A 91 20.792 -8.877 -3.881 1.00 34.15 H new ATOM 0 HE3 LYS A 91 22.066 -7.863 -4.528 1.00 34.15 H new ATOM 0 HZ1 LYS A 91 22.156 -10.083 -5.458 1.00 1.35 H new ATOM 0 HZ2 LYS A 91 23.552 -9.783 -4.539 1.00 1.35 H new ATOM 0 HZ3 LYS A 91 22.317 -10.766 -3.912 1.00 1.35 H new ATOM 1268 N CYS A 92 20.193 -4.253 -0.428 1.00 51.31 N ATOM 1269 CA CYS A 92 19.052 -3.486 -0.914 1.00 31.02 C ATOM 1270 C CYS A 92 19.235 -3.109 -2.381 1.00 51.20 C ATOM 1271 O CYS A 92 20.105 -2.308 -2.722 1.00 20.31 O ATOM 1272 CB CYS A 92 18.863 -2.223 -0.071 1.00 24.32 C ATOM 1273 SG CYS A 92 17.422 -1.218 -0.550 1.00 51.20 S ATOM 0 H CYS A 92 21.073 -3.737 -0.415 1.00 51.31 H new ATOM 0 HA CYS A 92 18.163 -4.110 -0.826 1.00 31.02 H new ATOM 0 HB2 CYS A 92 18.761 -2.510 0.976 1.00 24.32 H new ATOM 0 HB3 CYS A 92 19.761 -1.610 -0.147 1.00 24.32 H new ATOM 1278 N GLU A 93 18.408 -3.691 -3.244 1.00 22.42 N ATOM 1279 CA GLU A 93 18.480 -3.416 -4.674 1.00 34.40 C ATOM 1280 C GLU A 93 17.094 -3.122 -5.241 1.00 50.03 C ATOM 1281 O GLU A 93 16.086 -3.241 -4.544 1.00 5.33 O ATOM 1282 CB GLU A 93 19.104 -4.602 -5.413 1.00 41.32 C ATOM 1283 CG GLU A 93 20.592 -4.767 -5.151 1.00 34.31 C ATOM 1284 CD GLU A 93 21.364 -3.476 -5.337 1.00 41.11 C ATOM 1285 OE1 GLU A 93 21.235 -2.858 -6.415 1.00 14.13 O ATOM 1286 OE2 GLU A 93 22.098 -3.083 -4.406 1.00 71.32 O ATOM 0 H GLU A 93 17.681 -4.355 -2.978 1.00 22.42 H new ATOM 0 HA GLU A 93 19.107 -2.536 -4.818 1.00 34.40 H new ATOM 0 HB2 GLU A 93 18.588 -5.516 -5.118 1.00 41.32 H new ATOM 0 HB3 GLU A 93 18.944 -4.477 -6.484 1.00 41.32 H new ATOM 0 HG2 GLU A 93 20.740 -5.131 -4.134 1.00 34.31 H new ATOM 0 HG3 GLU A 93 20.993 -5.526 -5.823 1.00 34.31 H new ATOM 1293 N LYS A 94 17.051 -2.737 -6.512 1.00 42.52 N ATOM 1294 CA LYS A 94 15.791 -2.425 -7.176 1.00 32.12 C ATOM 1295 C LYS A 94 15.384 -3.547 -8.126 1.00 22.34 C ATOM 1296 O LYS A 94 15.992 -3.730 -9.181 1.00 33.10 O ATOM 1297 CB LYS A 94 15.908 -1.108 -7.946 1.00 41.01 C ATOM 1298 CG LYS A 94 15.106 0.028 -7.335 1.00 34.41 C ATOM 1299 CD LYS A 94 15.119 1.261 -8.222 1.00 63.25 C ATOM 1300 CE LYS A 94 16.533 1.783 -8.429 1.00 13.31 C ATOM 1301 NZ LYS A 94 16.660 3.213 -8.030 1.00 75.52 N ATOM 0 H LYS A 94 17.876 -2.633 -7.103 1.00 42.52 H new ATOM 0 HA LYS A 94 15.022 -2.324 -6.410 1.00 32.12 H new ATOM 0 HB2 LYS A 94 16.957 -0.816 -7.993 1.00 41.01 H new ATOM 0 HB3 LYS A 94 15.575 -1.266 -8.972 1.00 41.01 H new ATOM 0 HG2 LYS A 94 14.077 -0.296 -7.176 1.00 34.41 H new ATOM 0 HG3 LYS A 94 15.516 0.278 -6.357 1.00 34.41 H new ATOM 0 HD2 LYS A 94 14.674 1.021 -9.187 1.00 63.25 H new ATOM 0 HD3 LYS A 94 14.504 2.041 -7.772 1.00 63.25 H new ATOM 0 HE2 LYS A 94 17.231 1.180 -7.848 1.00 13.31 H new ATOM 0 HE3 LYS A 94 16.811 1.672 -9.477 1.00 13.31 H new ATOM 0 HZ1 LYS A 94 17.638 3.531 -8.186 1.00 75.52 H new ATOM 0 HZ2 LYS A 94 16.012 3.792 -8.602 1.00 75.52 H new ATOM 0 HZ3 LYS A 94 16.419 3.315 -7.023 1.00 75.52 H new ATOM 1315 N ILE A 95 14.353 -4.294 -7.745 1.00 25.23 N ATOM 1316 CA ILE A 95 13.865 -5.396 -8.564 1.00 61.23 C ATOM 1317 C ILE A 95 12.764 -4.931 -9.512 1.00 3.15 C ATOM 1318 O ILE A 95 11.682 -4.540 -9.077 1.00 11.01 O ATOM 1319 CB ILE A 95 13.326 -6.548 -7.696 1.00 23.23 C ATOM 1320 CG1 ILE A 95 14.469 -7.211 -6.923 1.00 12.30 C ATOM 1321 CG2 ILE A 95 12.602 -7.569 -8.560 1.00 61.41 C ATOM 1322 CD1 ILE A 95 14.863 -6.463 -5.668 1.00 73.42 C ATOM 0 H ILE A 95 13.840 -4.156 -6.874 1.00 25.23 H new ATOM 0 HA ILE A 95 14.714 -5.757 -9.145 1.00 61.23 H new ATOM 0 HB ILE A 95 12.615 -6.140 -6.978 1.00 23.23 H new ATOM 0 HG12 ILE A 95 14.175 -8.226 -6.654 1.00 12.30 H new ATOM 0 HG13 ILE A 95 15.338 -7.293 -7.575 1.00 12.30 H new ATOM 0 HG21 ILE A 95 12.227 -8.377 -7.932 1.00 61.41 H new ATOM 0 HG22 ILE A 95 11.767 -7.088 -9.069 1.00 61.41 H new ATOM 0 HG23 ILE A 95 13.292 -7.975 -9.299 1.00 61.41 H new ATOM 0 HD11 ILE A 95 15.678 -6.990 -5.171 1.00 73.42 H new ATOM 0 HD12 ILE A 95 15.188 -5.457 -5.931 1.00 73.42 H new ATOM 0 HD13 ILE A 95 14.007 -6.403 -4.996 1.00 73.42 H new ATOM 1334 N ASN A 96 13.049 -4.978 -10.809 1.00 13.10 N ATOM 1335 CA ASN A 96 12.082 -4.562 -11.819 1.00 21.31 C ATOM 1336 C ASN A 96 11.750 -3.080 -11.677 1.00 4.11 C ATOM 1337 O ASN A 96 10.693 -2.625 -12.111 1.00 71.32 O ATOM 1338 CB ASN A 96 10.804 -5.396 -11.705 1.00 0.41 C ATOM 1339 CG ASN A 96 9.950 -5.318 -12.955 1.00 53.15 C ATOM 1340 OD1 ASN A 96 10.248 -5.957 -13.965 1.00 14.12 O ATOM 1341 ND2 ASN A 96 8.881 -4.532 -12.894 1.00 21.11 N ATOM 0 H ASN A 96 13.941 -5.300 -11.186 1.00 13.10 H new ATOM 0 HA ASN A 96 12.527 -4.723 -12.801 1.00 21.31 H new ATOM 0 HB2 ASN A 96 11.068 -6.436 -11.513 1.00 0.41 H new ATOM 0 HB3 ASN A 96 10.223 -5.051 -10.849 1.00 0.41 H new ATOM 0 HD21 ASN A 96 8.269 -4.440 -13.705 1.00 21.11 H new ATOM 0 HD22 ASN A 96 8.672 -4.021 -12.036 1.00 21.11 H new ATOM 1348 N GLY A 97 12.663 -2.331 -11.066 1.00 0.54 N ATOM 1349 CA GLY A 97 12.449 -0.907 -10.878 1.00 24.54 C ATOM 1350 C GLY A 97 11.774 -0.592 -9.558 1.00 22.04 C ATOM 1351 O GLY A 97 11.253 0.506 -9.367 1.00 43.31 O ATOM 0 H GLY A 97 13.546 -2.684 -10.698 1.00 0.54 H new ATOM 0 HA2 GLY A 97 13.407 -0.389 -10.925 1.00 24.54 H new ATOM 0 HA3 GLY A 97 11.839 -0.523 -11.695 1.00 24.54 H new ATOM 1355 N GLU A 98 11.782 -1.559 -8.645 1.00 12.52 N ATOM 1356 CA GLU A 98 11.163 -1.378 -7.337 1.00 33.00 C ATOM 1357 C GLU A 98 12.187 -1.559 -6.220 1.00 41.25 C ATOM 1358 O GLU A 98 12.773 -2.631 -6.069 1.00 44.31 O ATOM 1359 CB GLU A 98 10.011 -2.368 -7.152 1.00 73.04 C ATOM 1360 CG GLU A 98 8.950 -2.276 -8.236 1.00 73.31 C ATOM 1361 CD GLU A 98 7.904 -3.368 -8.123 1.00 31.54 C ATOM 1362 OE1 GLU A 98 8.194 -4.513 -8.528 1.00 62.20 O ATOM 1363 OE2 GLU A 98 6.795 -3.078 -7.628 1.00 13.43 O ATOM 0 H GLU A 98 12.210 -2.474 -8.787 1.00 12.52 H new ATOM 0 HA GLU A 98 10.772 -0.362 -7.287 1.00 33.00 H new ATOM 0 HB2 GLU A 98 10.413 -3.381 -7.134 1.00 73.04 H new ATOM 0 HB3 GLU A 98 9.544 -2.193 -6.183 1.00 73.04 H new ATOM 0 HG2 GLU A 98 8.462 -1.303 -8.179 1.00 73.31 H new ATOM 0 HG3 GLU A 98 9.428 -2.336 -9.214 1.00 73.31 H new ATOM 1370 N ASP A 99 12.397 -0.503 -5.442 1.00 62.01 N ATOM 1371 CA ASP A 99 13.350 -0.544 -4.339 1.00 21.02 C ATOM 1372 C ASP A 99 12.927 -1.571 -3.293 1.00 70.23 C ATOM 1373 O ASP A 99 12.014 -1.329 -2.505 1.00 54.30 O ATOM 1374 CB ASP A 99 13.475 0.837 -3.694 1.00 24.04 C ATOM 1375 CG ASP A 99 13.822 1.917 -4.700 1.00 20.23 C ATOM 1376 OD1 ASP A 99 12.891 2.465 -5.326 1.00 31.43 O ATOM 1377 OD2 ASP A 99 15.024 2.213 -4.862 1.00 5.53 O ATOM 0 H ASP A 99 11.920 0.392 -5.555 1.00 62.01 H new ATOM 0 HA ASP A 99 14.320 -0.839 -4.740 1.00 21.02 H new ATOM 0 HB2 ASP A 99 12.536 1.091 -3.202 1.00 24.04 H new ATOM 0 HB3 ASP A 99 14.242 0.805 -2.920 1.00 24.04 H new ATOM 1382 N MET A 100 13.597 -2.719 -3.294 1.00 32.00 N ATOM 1383 CA MET A 100 13.290 -3.783 -2.345 1.00 71.11 C ATOM 1384 C MET A 100 14.468 -4.032 -1.408 1.00 75.32 C ATOM 1385 O MET A 100 15.547 -3.468 -1.588 1.00 70.40 O ATOM 1386 CB MET A 100 12.933 -5.072 -3.089 1.00 2.42 C ATOM 1387 CG MET A 100 11.954 -4.862 -4.232 1.00 51.04 C ATOM 1388 SD MET A 100 10.585 -6.035 -4.198 1.00 62.25 S ATOM 1389 CE MET A 100 11.342 -7.461 -4.975 1.00 1.03 C ATOM 0 H MET A 100 14.355 -2.936 -3.941 1.00 32.00 H new ATOM 0 HA MET A 100 12.434 -3.468 -1.748 1.00 71.11 H new ATOM 0 HB2 MET A 100 13.846 -5.520 -3.481 1.00 2.42 H new ATOM 0 HB3 MET A 100 12.506 -5.784 -2.382 1.00 2.42 H new ATOM 0 HG2 MET A 100 11.559 -3.847 -4.185 1.00 51.04 H new ATOM 0 HG3 MET A 100 12.483 -4.955 -5.180 1.00 51.04 H new ATOM 0 HE1 MET A 100 11.009 -8.369 -4.472 1.00 1.03 H new ATOM 0 HE2 MET A 100 11.051 -7.500 -6.025 1.00 1.03 H new ATOM 0 HE3 MET A 100 12.427 -7.382 -4.902 1.00 1.03 H new ATOM 1399 N VAL A 101 14.253 -4.880 -0.407 1.00 74.33 N ATOM 1400 CA VAL A 101 15.297 -5.205 0.557 1.00 14.44 C ATOM 1401 C VAL A 101 15.394 -6.710 0.776 1.00 24.21 C ATOM 1402 O VAL A 101 14.385 -7.415 0.779 1.00 55.41 O ATOM 1403 CB VAL A 101 15.043 -4.516 1.912 1.00 41.35 C ATOM 1404 CG1 VAL A 101 14.843 -3.020 1.721 1.00 72.13 C ATOM 1405 CG2 VAL A 101 13.843 -5.138 2.609 1.00 20.10 C ATOM 0 H VAL A 101 13.365 -5.354 -0.243 1.00 74.33 H new ATOM 0 HA VAL A 101 16.236 -4.840 0.141 1.00 14.44 H new ATOM 0 HB VAL A 101 15.918 -4.663 2.545 1.00 41.35 H new ATOM 0 HG11 VAL A 101 14.665 -2.550 2.688 1.00 72.13 H new ATOM 0 HG12 VAL A 101 15.735 -2.589 1.267 1.00 72.13 H new ATOM 0 HG13 VAL A 101 13.985 -2.848 1.071 1.00 72.13 H new ATOM 0 HG21 VAL A 101 13.678 -4.639 3.564 1.00 20.10 H new ATOM 0 HG22 VAL A 101 12.959 -5.023 1.982 1.00 20.10 H new ATOM 0 HG23 VAL A 101 14.031 -6.198 2.781 1.00 20.10 H new ATOM 1415 N TYR A 102 16.616 -7.198 0.959 1.00 4.54 N ATOM 1416 CA TYR A 102 16.847 -8.621 1.177 1.00 0.32 C ATOM 1417 C TYR A 102 17.100 -8.912 2.653 1.00 1.02 C ATOM 1418 O TYR A 102 17.892 -8.231 3.306 1.00 63.11 O ATOM 1419 CB TYR A 102 18.034 -9.100 0.340 1.00 23.24 C ATOM 1420 CG TYR A 102 17.694 -9.335 -1.114 1.00 45.32 C ATOM 1421 CD1 TYR A 102 16.996 -10.469 -1.511 1.00 2.25 C ATOM 1422 CD2 TYR A 102 18.072 -8.423 -2.092 1.00 64.12 C ATOM 1423 CE1 TYR A 102 16.684 -10.688 -2.838 1.00 40.34 C ATOM 1424 CE2 TYR A 102 17.763 -8.633 -3.422 1.00 63.10 C ATOM 1425 CZ TYR A 102 17.069 -9.767 -3.790 1.00 43.22 C ATOM 1426 OH TYR A 102 16.761 -9.980 -5.114 1.00 73.32 O ATOM 0 H TYR A 102 17.462 -6.629 0.961 1.00 4.54 H new ATOM 0 HA TYR A 102 15.952 -9.160 0.868 1.00 0.32 H new ATOM 0 HB2 TYR A 102 18.833 -8.362 0.403 1.00 23.24 H new ATOM 0 HB3 TYR A 102 18.420 -10.025 0.768 1.00 23.24 H new ATOM 0 HD1 TYR A 102 16.692 -11.192 -0.768 1.00 2.25 H new ATOM 0 HD2 TYR A 102 18.617 -7.535 -1.807 1.00 64.12 H new ATOM 0 HE1 TYR A 102 16.142 -11.575 -3.129 1.00 40.34 H new ATOM 0 HE2 TYR A 102 18.063 -7.913 -4.169 1.00 63.10 H new ATOM 0 HH TYR A 102 17.103 -9.237 -5.653 1.00 73.32 H new ATOM 1436 N LEU A 103 16.422 -9.929 3.173 1.00 12.13 N ATOM 1437 CA LEU A 103 16.572 -10.313 4.573 1.00 62.04 C ATOM 1438 C LEU A 103 17.319 -11.637 4.697 1.00 61.25 C ATOM 1439 O LEU A 103 17.398 -12.424 3.753 1.00 32.41 O ATOM 1440 CB LEU A 103 15.201 -10.423 5.242 1.00 61.22 C ATOM 1441 CG LEU A 103 14.079 -11.007 4.382 1.00 44.51 C ATOM 1442 CD1 LEU A 103 14.340 -12.476 4.090 1.00 71.11 C ATOM 1443 CD2 LEU A 103 12.733 -10.828 5.068 1.00 1.24 C ATOM 0 H LEU A 103 15.763 -10.503 2.647 1.00 12.13 H new ATOM 0 HA LEU A 103 17.154 -9.540 5.076 1.00 62.04 H new ATOM 0 HB2 LEU A 103 15.304 -11.038 6.136 1.00 61.22 H new ATOM 0 HB3 LEU A 103 14.899 -9.429 5.572 1.00 61.22 H new ATOM 0 HG LEU A 103 14.055 -10.468 3.435 1.00 44.51 H new ATOM 0 HD11 LEU A 103 13.531 -12.874 3.477 1.00 71.11 H new ATOM 0 HD12 LEU A 103 15.285 -12.579 3.556 1.00 71.11 H new ATOM 0 HD13 LEU A 103 14.391 -13.030 5.027 1.00 71.11 H new ATOM 0 HD21 LEU A 103 11.947 -11.249 4.442 1.00 1.24 H new ATOM 0 HD22 LEU A 103 12.744 -11.340 6.030 1.00 1.24 H new ATOM 0 HD23 LEU A 103 12.543 -9.766 5.224 1.00 1.24 H new ATOM 1455 N PRO A 104 17.880 -11.891 5.888 1.00 35.53 N ATOM 1456 CA PRO A 104 18.628 -13.121 6.165 1.00 34.40 C ATOM 1457 C PRO A 104 17.725 -14.349 6.218 1.00 62.45 C ATOM 1458 O PRO A 104 16.648 -14.315 6.812 1.00 53.33 O ATOM 1459 CB PRO A 104 19.250 -12.856 7.538 1.00 64.40 C ATOM 1460 CG PRO A 104 18.350 -11.856 8.176 1.00 75.11 C ATOM 1461 CD PRO A 104 17.826 -10.998 7.058 1.00 75.13 C ATOM 0 HA PRO A 104 19.358 -13.338 5.385 1.00 34.40 H new ATOM 0 HB2 PRO A 104 19.308 -13.770 8.129 1.00 64.40 H new ATOM 0 HB3 PRO A 104 20.266 -12.472 7.445 1.00 64.40 H new ATOM 0 HG2 PRO A 104 17.534 -12.347 8.706 1.00 75.11 H new ATOM 0 HG3 PRO A 104 18.890 -11.256 8.908 1.00 75.11 H new ATOM 0 HD2 PRO A 104 16.810 -10.656 7.256 1.00 75.13 H new ATOM 0 HD3 PRO A 104 18.439 -10.108 6.913 1.00 75.13 H new ATOM 1469 N SER A 105 18.172 -15.434 5.592 1.00 3.14 N ATOM 1470 CA SER A 105 17.403 -16.672 5.565 1.00 20.43 C ATOM 1471 C SER A 105 17.720 -17.536 6.782 1.00 4.25 C ATOM 1472 O SER A 105 18.617 -17.220 7.565 1.00 64.14 O ATOM 1473 CB SER A 105 17.697 -17.452 4.282 1.00 33.02 C ATOM 1474 OG SER A 105 17.384 -16.682 3.135 1.00 42.35 O ATOM 0 H SER A 105 19.063 -15.480 5.097 1.00 3.14 H new ATOM 0 HA SER A 105 16.344 -16.413 5.591 1.00 20.43 H new ATOM 0 HB2 SER A 105 18.749 -17.735 4.258 1.00 33.02 H new ATOM 0 HB3 SER A 105 17.118 -18.375 4.273 1.00 33.02 H new ATOM 0 HG SER A 105 17.582 -17.202 2.328 1.00 42.35 H new ATOM 1480 N TYR A 106 16.978 -18.627 6.936 1.00 43.35 N ATOM 1481 CA TYR A 106 17.178 -19.535 8.058 1.00 33.52 C ATOM 1482 C TYR A 106 18.641 -19.952 8.169 1.00 44.51 C ATOM 1483 O TYR A 106 19.146 -20.197 9.264 1.00 63.42 O ATOM 1484 CB TYR A 106 16.294 -20.774 7.902 1.00 63.32 C ATOM 1485 CG TYR A 106 16.817 -21.767 6.888 1.00 51.32 C ATOM 1486 CD1 TYR A 106 16.836 -21.461 5.533 1.00 45.52 C ATOM 1487 CD2 TYR A 106 17.292 -23.010 7.285 1.00 22.53 C ATOM 1488 CE1 TYR A 106 17.312 -22.365 4.603 1.00 4.50 C ATOM 1489 CE2 TYR A 106 17.771 -23.920 6.363 1.00 64.24 C ATOM 1490 CZ TYR A 106 17.779 -23.593 5.023 1.00 51.23 C ATOM 1491 OH TYR A 106 18.255 -24.496 4.100 1.00 41.43 O ATOM 0 H TYR A 106 16.232 -18.904 6.297 1.00 43.35 H new ATOM 0 HA TYR A 106 16.899 -19.009 8.971 1.00 33.52 H new ATOM 0 HB2 TYR A 106 16.202 -21.269 8.869 1.00 63.32 H new ATOM 0 HB3 TYR A 106 15.292 -20.461 7.608 1.00 63.32 H new ATOM 0 HD1 TYR A 106 16.472 -20.500 5.201 1.00 45.52 H new ATOM 0 HD2 TYR A 106 17.287 -23.270 8.333 1.00 22.53 H new ATOM 0 HE1 TYR A 106 17.318 -22.112 3.553 1.00 4.50 H new ATOM 0 HE2 TYR A 106 18.137 -24.882 6.689 1.00 64.24 H new ATOM 0 HH TYR A 106 18.547 -25.311 4.560 1.00 41.43 H new ATOM 1501 N GLU A 107 19.316 -20.027 7.026 1.00 24.12 N ATOM 1502 CA GLU A 107 20.722 -20.413 6.994 1.00 22.43 C ATOM 1503 C GLU A 107 21.583 -19.394 7.734 1.00 5.21 C ATOM 1504 O GLU A 107 22.299 -19.736 8.675 1.00 32.41 O ATOM 1505 CB GLU A 107 21.204 -20.551 5.548 1.00 13.45 C ATOM 1506 CG GLU A 107 22.141 -21.726 5.328 1.00 4.32 C ATOM 1507 CD GLU A 107 23.332 -21.367 4.461 1.00 63.13 C ATOM 1508 OE1 GLU A 107 24.223 -20.639 4.948 1.00 74.21 O ATOM 1509 OE2 GLU A 107 23.374 -21.814 3.295 1.00 1.43 O ATOM 0 H GLU A 107 18.912 -19.826 6.111 1.00 24.12 H new ATOM 0 HA GLU A 107 20.819 -21.376 7.495 1.00 22.43 H new ATOM 0 HB2 GLU A 107 20.339 -20.660 4.894 1.00 13.45 H new ATOM 0 HB3 GLU A 107 21.712 -19.632 5.254 1.00 13.45 H new ATOM 0 HG2 GLU A 107 22.495 -22.089 6.293 1.00 4.32 H new ATOM 0 HG3 GLU A 107 21.590 -22.543 4.862 1.00 4.32 H new ATOM 1516 N MET A 108 21.509 -18.140 7.301 1.00 41.33 N ATOM 1517 CA MET A 108 22.281 -17.070 7.922 1.00 42.21 C ATOM 1518 C MET A 108 22.031 -17.021 9.426 1.00 75.12 C ATOM 1519 O MET A 108 22.961 -16.855 10.215 1.00 32.44 O ATOM 1520 CB MET A 108 21.926 -15.722 7.290 1.00 21.51 C ATOM 1521 CG MET A 108 22.528 -15.521 5.909 1.00 63.51 C ATOM 1522 SD MET A 108 24.292 -15.153 5.967 1.00 24.42 S ATOM 1523 CE MET A 108 24.332 -13.555 5.161 1.00 55.34 C ATOM 0 H MET A 108 20.922 -17.840 6.523 1.00 41.33 H new ATOM 0 HA MET A 108 23.338 -17.275 7.754 1.00 42.21 H new ATOM 0 HB2 MET A 108 20.842 -15.637 7.221 1.00 21.51 H new ATOM 0 HB3 MET A 108 22.267 -14.921 7.946 1.00 21.51 H new ATOM 0 HG2 MET A 108 22.368 -16.419 5.313 1.00 63.51 H new ATOM 0 HG3 MET A 108 22.007 -14.707 5.405 1.00 63.51 H new ATOM 0 HE1 MET A 108 24.855 -13.641 4.208 1.00 55.34 H new ATOM 0 HE2 MET A 108 23.313 -13.210 4.986 1.00 55.34 H new ATOM 0 HE3 MET A 108 24.853 -12.840 5.797 1.00 55.34 H new ATOM 1533 N CYS A 109 20.769 -17.166 9.816 1.00 74.12 N ATOM 1534 CA CYS A 109 20.395 -17.138 11.225 1.00 40.13 C ATOM 1535 C CYS A 109 20.818 -18.426 11.925 1.00 11.14 C ATOM 1536 O CYS A 109 21.030 -18.444 13.138 1.00 71.20 O ATOM 1537 CB CYS A 109 18.885 -16.938 11.370 1.00 42.43 C ATOM 1538 SG CYS A 109 18.406 -15.899 12.788 1.00 73.15 S ATOM 0 H CYS A 109 19.987 -17.304 9.175 1.00 74.12 H new ATOM 0 HA CYS A 109 20.912 -16.302 11.696 1.00 40.13 H new ATOM 0 HB2 CYS A 109 18.500 -16.487 10.456 1.00 42.43 H new ATOM 0 HB3 CYS A 109 18.408 -17.913 11.470 1.00 42.43 H new ATOM 1543 N ARG A 110 20.939 -19.501 11.153 1.00 14.22 N ATOM 1544 CA ARG A 110 21.335 -20.793 11.699 1.00 21.13 C ATOM 1545 C ARG A 110 22.818 -20.799 12.060 1.00 33.13 C ATOM 1546 O ARG A 110 23.242 -21.511 12.971 1.00 12.22 O ATOM 1547 CB ARG A 110 21.039 -21.908 10.694 1.00 5.21 C ATOM 1548 CG ARG A 110 21.590 -23.263 11.108 1.00 51.20 C ATOM 1549 CD ARG A 110 20.535 -24.352 10.992 1.00 51.23 C ATOM 1550 NE ARG A 110 21.130 -25.674 10.818 1.00 71.05 N ATOM 1551 CZ ARG A 110 21.700 -26.080 9.689 1.00 60.53 C ATOM 1552 NH1 ARG A 110 21.752 -25.271 8.640 1.00 64.22 N ATOM 1553 NH2 ARG A 110 22.220 -27.299 9.608 1.00 53.34 N ATOM 0 H ARG A 110 20.768 -19.503 10.147 1.00 14.22 H new ATOM 0 HA ARG A 110 20.757 -20.969 12.606 1.00 21.13 H new ATOM 0 HB2 ARG A 110 19.960 -21.989 10.561 1.00 5.21 H new ATOM 0 HB3 ARG A 110 21.459 -21.634 9.726 1.00 5.21 H new ATOM 0 HG2 ARG A 110 22.446 -23.516 10.482 1.00 51.20 H new ATOM 0 HG3 ARG A 110 21.951 -23.212 12.135 1.00 51.20 H new ATOM 0 HD2 ARG A 110 19.912 -24.350 11.886 1.00 51.23 H new ATOM 0 HD3 ARG A 110 19.881 -24.135 10.147 1.00 51.23 H new ATOM 0 HE ARG A 110 21.107 -26.321 11.606 1.00 71.05 H new ATOM 0 HH11 ARG A 110 21.354 -24.334 8.698 1.00 64.22 H new ATOM 0 HH12 ARG A 110 22.190 -25.586 7.774 1.00 64.22 H new ATOM 0 HH21 ARG A 110 22.182 -27.924 10.413 1.00 53.34 H new ATOM 0 HH22 ARG A 110 22.658 -27.610 8.741 1.00 53.34 H new ATOM 1567 N ILE A 111 23.600 -20.002 11.340 1.00 71.41 N ATOM 1568 CA ILE A 111 25.034 -19.916 11.585 1.00 41.12 C ATOM 1569 C ILE A 111 25.325 -19.649 13.058 1.00 62.32 C ATOM 1570 O ILE A 111 26.360 -20.061 13.583 1.00 63.34 O ATOM 1571 CB ILE A 111 25.684 -18.808 10.736 1.00 44.51 C ATOM 1572 CG1 ILE A 111 25.365 -19.016 9.254 1.00 22.41 C ATOM 1573 CG2 ILE A 111 27.189 -18.782 10.961 1.00 52.12 C ATOM 1574 CD1 ILE A 111 25.693 -20.406 8.756 1.00 60.45 C ATOM 0 H ILE A 111 23.265 -19.407 10.583 1.00 71.41 H new ATOM 0 HA ILE A 111 25.461 -20.878 11.301 1.00 41.12 H new ATOM 0 HB ILE A 111 25.273 -17.847 11.045 1.00 44.51 H new ATOM 0 HG12 ILE A 111 24.306 -18.819 9.087 1.00 22.41 H new ATOM 0 HG13 ILE A 111 25.921 -18.287 8.665 1.00 22.41 H new ATOM 0 HG21 ILE A 111 27.634 -17.994 10.354 1.00 52.12 H new ATOM 0 HG22 ILE A 111 27.396 -18.590 12.014 1.00 52.12 H new ATOM 0 HG23 ILE A 111 27.616 -19.744 10.677 1.00 52.12 H new ATOM 0 HD11 ILE A 111 25.441 -20.482 7.698 1.00 60.45 H new ATOM 0 HD12 ILE A 111 26.757 -20.599 8.891 1.00 60.45 H new ATOM 0 HD13 ILE A 111 25.117 -21.140 9.320 1.00 60.45 H new ATOM 1586 N THR A 112 24.404 -18.958 13.722 1.00 72.31 N ATOM 1587 CA THR A 112 24.560 -18.637 15.135 1.00 43.02 C ATOM 1588 C THR A 112 23.941 -19.716 16.016 1.00 41.11 C ATOM 1589 O THR A 112 24.310 -19.867 17.180 1.00 25.10 O ATOM 1590 CB THR A 112 23.918 -17.280 15.477 1.00 53.52 C ATOM 1591 OG1 THR A 112 22.491 -17.402 15.489 1.00 21.12 O ATOM 1592 CG2 THR A 112 24.332 -16.216 14.471 1.00 73.12 C ATOM 0 H THR A 112 23.542 -18.610 13.303 1.00 72.31 H new ATOM 0 HA THR A 112 25.631 -18.583 15.330 1.00 43.02 H new ATOM 0 HB THR A 112 24.265 -16.978 16.465 1.00 53.52 H new ATOM 0 HG1 THR A 112 22.185 -17.746 14.624 1.00 21.12 H new ATOM 0 HG21 THR A 112 23.866 -15.266 14.733 1.00 73.12 H new ATOM 0 HG22 THR A 112 25.416 -16.104 14.485 1.00 73.12 H new ATOM 0 HG23 THR A 112 24.011 -16.514 13.473 1.00 73.12 H new ATOM 1600 N MET A 113 22.998 -20.464 15.453 1.00 40.02 N ATOM 1601 CA MET A 113 22.329 -21.531 16.188 1.00 0.12 C ATOM 1602 C MET A 113 23.277 -22.701 16.431 1.00 71.23 C ATOM 1603 O MET A 113 23.201 -23.369 17.461 1.00 31.13 O ATOM 1604 CB MET A 113 21.094 -22.010 15.423 1.00 12.11 C ATOM 1605 CG MET A 113 19.823 -21.260 15.789 1.00 4.04 C ATOM 1606 SD MET A 113 18.351 -21.980 15.039 1.00 73.31 S ATOM 1607 CE MET A 113 18.314 -21.118 13.470 1.00 40.34 C ATOM 0 H MET A 113 22.680 -20.351 14.490 1.00 40.02 H new ATOM 0 HA MET A 113 22.017 -21.133 17.154 1.00 0.12 H new ATOM 0 HB2 MET A 113 21.275 -21.902 14.354 1.00 12.11 H new ATOM 0 HB3 MET A 113 20.947 -23.073 15.616 1.00 12.11 H new ATOM 0 HG2 MET A 113 19.708 -21.255 16.873 1.00 4.04 H new ATOM 0 HG3 MET A 113 19.915 -20.221 15.473 1.00 4.04 H new ATOM 0 HE1 MET A 113 17.282 -20.892 13.203 1.00 40.34 H new ATOM 0 HE2 MET A 113 18.880 -20.190 13.551 1.00 40.34 H new ATOM 0 HE3 MET A 113 18.758 -21.747 12.699 1.00 40.34 H new ATOM 1617 N GLU A 114 24.168 -22.943 15.474 1.00 21.34 N ATOM 1618 CA GLU A 114 25.129 -24.034 15.585 1.00 22.23 C ATOM 1619 C GLU A 114 25.907 -23.943 16.895 1.00 33.22 C ATOM 1620 O GLU A 114 25.854 -24.836 17.741 1.00 32.22 O ATOM 1621 CB GLU A 114 26.099 -24.012 14.402 1.00 55.24 C ATOM 1622 CG GLU A 114 25.933 -25.190 13.457 1.00 72.32 C ATOM 1623 CD GLU A 114 27.233 -25.933 13.217 1.00 32.23 C ATOM 1624 OE1 GLU A 114 27.580 -26.803 14.043 1.00 64.34 O ATOM 1625 OE2 GLU A 114 27.902 -25.644 12.203 1.00 24.14 O ATOM 0 H GLU A 114 24.244 -22.399 14.615 1.00 21.34 H new ATOM 0 HA GLU A 114 24.576 -24.973 15.575 1.00 22.23 H new ATOM 0 HB2 GLU A 114 25.957 -23.087 13.844 1.00 55.24 H new ATOM 0 HB3 GLU A 114 27.121 -24.002 14.781 1.00 55.24 H new ATOM 0 HG2 GLU A 114 25.195 -25.879 13.868 1.00 72.32 H new ATOM 0 HG3 GLU A 114 25.541 -24.834 12.504 1.00 72.32 H new ATOM 1632 N PRO A 115 26.647 -22.838 17.068 1.00 63.33 N ATOM 1633 CA PRO A 115 27.450 -22.603 18.271 1.00 22.44 C ATOM 1634 C PRO A 115 26.588 -22.336 19.500 1.00 10.33 C ATOM 1635 O PRO A 115 26.790 -22.937 20.556 1.00 52.31 O ATOM 1636 CB PRO A 115 28.271 -21.362 17.914 1.00 42.05 C ATOM 1637 CG PRO A 115 27.461 -20.657 16.881 1.00 63.02 C ATOM 1638 CD PRO A 115 26.757 -21.733 16.101 1.00 44.10 C ATOM 0 HA PRO A 115 28.056 -23.471 18.532 1.00 22.44 H new ATOM 0 HB2 PRO A 115 28.435 -20.731 18.787 1.00 42.05 H new ATOM 0 HB3 PRO A 115 29.254 -21.635 17.529 1.00 42.05 H new ATOM 0 HG2 PRO A 115 26.745 -19.978 17.343 1.00 63.02 H new ATOM 0 HG3 PRO A 115 28.096 -20.056 16.231 1.00 63.02 H new ATOM 0 HD2 PRO A 115 25.778 -21.403 15.755 1.00 44.10 H new ATOM 0 HD3 PRO A 115 27.325 -22.026 15.218 1.00 44.10 H new ATOM 1646 N CYS A 116 25.626 -21.431 19.356 1.00 12.44 N ATOM 1647 CA CYS A 116 24.732 -21.083 20.454 1.00 0.24 C ATOM 1648 C CYS A 116 23.376 -21.763 20.288 1.00 0.32 C ATOM 1649 O CYS A 116 22.480 -21.231 19.633 1.00 14.31 O ATOM 1650 CB CYS A 116 24.548 -19.566 20.529 1.00 5.33 C ATOM 1651 SG CYS A 116 25.927 -18.614 19.813 1.00 13.23 S ATOM 0 H CYS A 116 25.445 -20.925 18.489 1.00 12.44 H new ATOM 0 HA CYS A 116 25.184 -21.434 21.382 1.00 0.24 H new ATOM 0 HB2 CYS A 116 23.627 -19.296 20.012 1.00 5.33 H new ATOM 0 HB3 CYS A 116 24.424 -19.277 21.573 1.00 5.33 H new ATOM 1656 N ARG A 117 23.234 -22.941 20.886 1.00 31.11 N ATOM 1657 CA ARG A 117 21.988 -23.694 20.804 1.00 64.32 C ATOM 1658 C ARG A 117 20.865 -22.970 21.540 1.00 23.04 C ATOM 1659 O ARG A 117 19.694 -23.090 21.179 1.00 44.22 O ATOM 1660 CB ARG A 117 22.175 -25.096 21.388 1.00 4.42 C ATOM 1661 CG ARG A 117 20.872 -25.852 21.587 1.00 52.40 C ATOM 1662 CD ARG A 117 20.444 -25.851 23.046 1.00 3.23 C ATOM 1663 NE ARG A 117 19.609 -27.004 23.373 1.00 41.54 N ATOM 1664 CZ ARG A 117 20.075 -28.243 23.477 1.00 63.05 C ATOM 1665 NH1 ARG A 117 21.363 -28.489 23.281 1.00 4.13 N ATOM 1666 NH2 ARG A 117 19.252 -29.240 23.777 1.00 44.31 N ATOM 0 H ARG A 117 23.966 -23.395 21.432 1.00 31.11 H new ATOM 0 HA ARG A 117 21.713 -23.779 19.753 1.00 64.32 H new ATOM 0 HB2 ARG A 117 22.822 -25.672 20.727 1.00 4.42 H new ATOM 0 HB3 ARG A 117 22.688 -25.016 22.346 1.00 4.42 H new ATOM 0 HG2 ARG A 117 20.090 -25.399 20.977 1.00 52.40 H new ATOM 0 HG3 ARG A 117 20.990 -26.879 21.242 1.00 52.40 H new ATOM 0 HD2 ARG A 117 21.328 -25.852 23.683 1.00 3.23 H new ATOM 0 HD3 ARG A 117 19.896 -24.934 23.262 1.00 3.23 H new ATOM 0 HE ARG A 117 18.613 -26.849 23.530 1.00 41.54 H new ATOM 0 HH11 ARG A 117 21.999 -27.726 23.050 1.00 4.13 H new ATOM 0 HH12 ARG A 117 21.718 -29.442 23.362 1.00 4.13 H new ATOM 0 HH21 ARG A 117 18.260 -29.055 23.928 1.00 44.31 H new ATOM 0 HH22 ARG A 117 19.611 -30.191 23.857 1.00 44.31 H new ATOM 1680 N ILE A 118 21.231 -22.220 22.574 1.00 14.24 N ATOM 1681 CA ILE A 118 20.254 -21.476 23.361 1.00 62.31 C ATOM 1682 C ILE A 118 19.686 -20.305 22.567 1.00 74.22 C ATOM 1683 O ILE A 118 18.721 -19.666 22.987 1.00 14.35 O ATOM 1684 CB ILE A 118 20.872 -20.944 24.668 1.00 75.33 C ATOM 1685 CG1 ILE A 118 21.633 -22.059 25.389 1.00 55.14 C ATOM 1686 CG2 ILE A 118 19.790 -20.366 25.568 1.00 74.43 C ATOM 1687 CD1 ILE A 118 20.792 -23.287 25.661 1.00 54.53 C ATOM 0 H ILE A 118 22.196 -22.111 22.886 1.00 14.24 H new ATOM 0 HA ILE A 118 19.450 -22.170 23.605 1.00 62.31 H new ATOM 0 HB ILE A 118 21.576 -20.149 24.423 1.00 75.33 H new ATOM 0 HG12 ILE A 118 22.496 -22.346 24.788 1.00 55.14 H new ATOM 0 HG13 ILE A 118 22.016 -21.674 26.334 1.00 55.14 H new ATOM 0 HG21 ILE A 118 20.242 -19.994 26.488 1.00 74.43 H new ATOM 0 HG22 ILE A 118 19.288 -19.547 25.053 1.00 74.43 H new ATOM 0 HG23 ILE A 118 19.064 -21.142 25.809 1.00 74.43 H new ATOM 0 HD11 ILE A 118 21.396 -24.035 26.174 1.00 54.53 H new ATOM 0 HD12 ILE A 118 19.943 -23.015 26.287 1.00 54.53 H new ATOM 0 HD13 ILE A 118 20.431 -23.697 24.718 1.00 54.53 H new ATOM 1699 N LEU A 119 20.288 -20.030 21.415 1.00 25.34 N ATOM 1700 CA LEU A 119 19.841 -18.937 20.560 1.00 43.43 C ATOM 1701 C LEU A 119 18.843 -19.433 19.518 1.00 23.05 C ATOM 1702 O LEU A 119 18.758 -18.890 18.417 1.00 41.31 O ATOM 1703 CB LEU A 119 21.038 -18.284 19.865 1.00 30.14 C ATOM 1704 CG LEU A 119 21.796 -17.234 20.679 1.00 33.42 C ATOM 1705 CD1 LEU A 119 20.913 -16.025 20.943 1.00 0.54 C ATOM 1706 CD2 LEU A 119 22.292 -17.831 21.988 1.00 3.22 C ATOM 0 H LEU A 119 21.087 -20.549 21.052 1.00 25.34 H new ATOM 0 HA LEU A 119 19.345 -18.197 21.188 1.00 43.43 H new ATOM 0 HB2 LEU A 119 21.739 -19.068 19.579 1.00 30.14 H new ATOM 0 HB3 LEU A 119 20.688 -17.818 18.944 1.00 30.14 H new ATOM 0 HG LEU A 119 22.661 -16.907 20.101 1.00 33.42 H new ATOM 0 HD11 LEU A 119 21.469 -15.288 21.523 1.00 0.54 H new ATOM 0 HD12 LEU A 119 20.607 -15.584 19.994 1.00 0.54 H new ATOM 0 HD13 LEU A 119 20.029 -16.335 21.501 1.00 0.54 H new ATOM 0 HD21 LEU A 119 22.829 -17.070 22.554 1.00 3.22 H new ATOM 0 HD22 LEU A 119 21.442 -18.185 22.571 1.00 3.22 H new ATOM 0 HD23 LEU A 119 22.961 -18.666 21.777 1.00 3.22 H new ATOM 1718 N TYR A 120 18.089 -20.467 19.875 1.00 0.53 N ATOM 1719 CA TYR A 120 17.097 -21.036 18.972 1.00 74.42 C ATOM 1720 C TYR A 120 16.277 -19.939 18.301 1.00 55.31 C ATOM 1721 O TYR A 120 15.867 -20.071 17.149 1.00 73.24 O ATOM 1722 CB TYR A 120 16.171 -21.988 19.732 1.00 52.30 C ATOM 1723 CG TYR A 120 16.224 -21.814 21.233 1.00 3.20 C ATOM 1724 CD1 TYR A 120 15.773 -20.645 21.833 1.00 4.14 C ATOM 1725 CD2 TYR A 120 16.725 -22.819 22.051 1.00 71.40 C ATOM 1726 CE1 TYR A 120 15.821 -20.482 23.204 1.00 1.43 C ATOM 1727 CE2 TYR A 120 16.775 -22.665 23.423 1.00 61.40 C ATOM 1728 CZ TYR A 120 16.323 -21.495 23.995 1.00 55.33 C ATOM 1729 OH TYR A 120 16.370 -21.336 25.361 1.00 64.51 O ATOM 0 H TYR A 120 18.146 -20.928 20.783 1.00 0.53 H new ATOM 0 HA TYR A 120 17.625 -21.594 18.199 1.00 74.42 H new ATOM 0 HB2 TYR A 120 15.147 -21.833 19.393 1.00 52.30 H new ATOM 0 HB3 TYR A 120 16.437 -23.016 19.484 1.00 52.30 H new ATOM 0 HD1 TYR A 120 15.378 -19.850 21.217 1.00 4.14 H new ATOM 0 HD2 TYR A 120 17.082 -23.737 21.607 1.00 71.40 H new ATOM 0 HE1 TYR A 120 15.467 -19.566 23.654 1.00 1.43 H new ATOM 0 HE2 TYR A 120 17.166 -23.457 24.044 1.00 61.40 H new ATOM 0 HH TYR A 120 16.749 -22.141 25.771 1.00 64.51 H new ATOM 1739 N ASN A 121 16.042 -18.854 19.032 1.00 10.21 N ATOM 1740 CA ASN A 121 15.271 -17.732 18.509 1.00 1.31 C ATOM 1741 C ASN A 121 15.728 -16.418 19.136 1.00 22.34 C ATOM 1742 O ASN A 121 16.043 -15.457 18.433 1.00 23.45 O ATOM 1743 CB ASN A 121 13.779 -17.944 18.773 1.00 0.12 C ATOM 1744 CG ASN A 121 13.518 -18.626 20.102 1.00 24.41 C ATOM 1745 OD1 ASN A 121 13.386 -19.848 20.169 1.00 32.55 O ATOM 1746 ND2 ASN A 121 13.443 -17.837 21.168 1.00 65.44 N ATOM 0 H ASN A 121 16.374 -18.728 19.988 1.00 10.21 H new ATOM 0 HA ASN A 121 15.439 -17.679 17.433 1.00 1.31 H new ATOM 0 HB2 ASN A 121 13.269 -16.981 18.756 1.00 0.12 H new ATOM 0 HB3 ASN A 121 13.352 -18.545 17.970 1.00 0.12 H new ATOM 0 HD21 ASN A 121 13.270 -18.239 22.089 1.00 65.44 H new ATOM 0 HD22 ASN A 121 13.559 -16.829 21.065 1.00 65.44 H new ATOM 1753 N THR A 122 15.763 -16.384 20.465 1.00 13.30 N ATOM 1754 CA THR A 122 16.181 -15.189 21.188 1.00 75.11 C ATOM 1755 C THR A 122 16.499 -15.511 22.643 1.00 5.44 C ATOM 1756 O THR A 122 15.909 -16.415 23.235 1.00 71.33 O ATOM 1757 CB THR A 122 15.096 -14.096 21.141 1.00 21.21 C ATOM 1758 OG1 THR A 122 14.730 -13.827 19.783 1.00 4.32 O ATOM 1759 CG2 THR A 122 15.588 -12.817 21.803 1.00 73.54 C ATOM 0 H THR A 122 15.507 -17.170 21.062 1.00 13.30 H new ATOM 0 HA THR A 122 17.080 -14.819 20.695 1.00 75.11 H new ATOM 0 HB THR A 122 14.224 -14.456 21.687 1.00 21.21 H new ATOM 0 HG1 THR A 122 15.465 -14.086 19.189 1.00 4.32 H new ATOM 0 HG21 THR A 122 14.805 -12.060 21.758 1.00 73.54 H new ATOM 0 HG22 THR A 122 15.838 -13.019 22.845 1.00 73.54 H new ATOM 0 HG23 THR A 122 16.474 -12.455 21.281 1.00 73.54 H new ATOM 1767 N THR A 123 17.437 -14.764 23.218 1.00 44.20 N ATOM 1768 CA THR A 123 17.835 -14.970 24.605 1.00 42.32 C ATOM 1769 C THR A 123 18.990 -14.051 24.988 1.00 71.22 C ATOM 1770 O THR A 123 19.115 -13.644 26.143 1.00 44.42 O ATOM 1771 CB THR A 123 18.251 -16.431 24.859 1.00 34.10 C ATOM 1772 OG1 THR A 123 18.895 -16.543 26.133 1.00 41.42 O ATOM 1773 CG2 THR A 123 19.186 -16.926 23.766 1.00 4.54 C ATOM 0 H THR A 123 17.935 -14.011 22.744 1.00 44.20 H new ATOM 0 HA THR A 123 16.967 -14.735 25.221 1.00 42.32 H new ATOM 0 HB THR A 123 17.352 -17.048 24.852 1.00 34.10 H new ATOM 0 HG1 THR A 123 19.155 -17.475 26.287 1.00 41.42 H new ATOM 0 HG21 THR A 123 19.466 -17.960 23.967 1.00 4.54 H new ATOM 0 HG22 THR A 123 18.681 -16.868 22.802 1.00 4.54 H new ATOM 0 HG23 THR A 123 20.082 -16.305 23.745 1.00 4.54 H new ATOM 1781 N PHE A 124 19.831 -13.728 24.011 1.00 5.25 N ATOM 1782 CA PHE A 124 20.977 -12.857 24.247 1.00 40.32 C ATOM 1783 C PHE A 124 20.565 -11.389 24.187 1.00 43.32 C ATOM 1784 O PHE A 124 20.858 -10.612 25.097 1.00 62.45 O ATOM 1785 CB PHE A 124 22.075 -13.133 23.217 1.00 14.21 C ATOM 1786 CG PHE A 124 23.209 -13.956 23.756 1.00 21.24 C ATOM 1787 CD1 PHE A 124 23.077 -15.327 23.907 1.00 21.22 C ATOM 1788 CD2 PHE A 124 24.408 -13.359 24.113 1.00 35.11 C ATOM 1789 CE1 PHE A 124 24.119 -16.088 24.403 1.00 42.11 C ATOM 1790 CE2 PHE A 124 25.453 -14.115 24.609 1.00 42.32 C ATOM 1791 CZ PHE A 124 25.309 -15.481 24.755 1.00 15.50 C ATOM 0 H PHE A 124 19.741 -14.056 23.049 1.00 5.25 H new ATOM 0 HA PHE A 124 21.363 -13.068 25.244 1.00 40.32 H new ATOM 0 HB2 PHE A 124 21.638 -13.647 22.361 1.00 14.21 H new ATOM 0 HB3 PHE A 124 22.467 -12.184 22.852 1.00 14.21 H new ATOM 0 HD1 PHE A 124 22.149 -15.807 23.634 1.00 21.22 H new ATOM 0 HD2 PHE A 124 24.527 -12.291 24.002 1.00 35.11 H new ATOM 0 HE1 PHE A 124 24.003 -17.156 24.515 1.00 42.11 H new ATOM 0 HE2 PHE A 124 26.382 -13.638 24.883 1.00 42.32 H new ATOM 0 HZ PHE A 124 26.125 -16.073 25.143 1.00 15.50 H new ATOM 1801 N PHE A 125 19.885 -11.015 23.108 1.00 13.14 N ATOM 1802 CA PHE A 125 19.434 -9.640 22.928 1.00 55.03 C ATOM 1803 C PHE A 125 18.652 -9.491 21.626 1.00 51.23 C ATOM 1804 O PHE A 125 18.974 -10.100 20.605 1.00 1.24 O ATOM 1805 CB PHE A 125 20.628 -8.684 22.931 1.00 64.22 C ATOM 1806 CG PHE A 125 20.499 -7.566 23.925 1.00 21.14 C ATOM 1807 CD1 PHE A 125 19.952 -7.795 25.178 1.00 61.23 C ATOM 1808 CD2 PHE A 125 20.925 -6.286 23.608 1.00 30.43 C ATOM 1809 CE1 PHE A 125 19.831 -6.768 26.094 1.00 2.13 C ATOM 1810 CE2 PHE A 125 20.807 -5.255 24.521 1.00 21.22 C ATOM 1811 CZ PHE A 125 20.260 -5.497 25.766 1.00 4.32 C ATOM 0 H PHE A 125 19.634 -11.645 22.346 1.00 13.14 H new ATOM 0 HA PHE A 125 18.775 -9.389 23.759 1.00 55.03 H new ATOM 0 HB2 PHE A 125 21.535 -9.249 23.147 1.00 64.22 H new ATOM 0 HB3 PHE A 125 20.747 -8.261 21.934 1.00 64.22 H new ATOM 0 HD1 PHE A 125 19.617 -8.787 25.441 1.00 61.23 H new ATOM 0 HD2 PHE A 125 21.354 -6.092 22.636 1.00 30.43 H new ATOM 0 HE1 PHE A 125 19.401 -6.959 27.066 1.00 2.13 H new ATOM 0 HE2 PHE A 125 21.142 -4.262 24.261 1.00 21.22 H new ATOM 0 HZ PHE A 125 20.168 -4.694 26.482 1.00 4.32 H new ATOM 1821 N PRO A 126 17.598 -8.661 21.660 1.00 24.34 N ATOM 1822 CA PRO A 126 16.748 -8.412 20.492 1.00 24.04 C ATOM 1823 C PRO A 126 17.468 -7.611 19.412 1.00 34.33 C ATOM 1824 O PRO A 126 17.516 -8.018 18.251 1.00 31.43 O ATOM 1825 CB PRO A 126 15.582 -7.606 21.068 1.00 12.54 C ATOM 1826 CG PRO A 126 16.140 -6.946 22.282 1.00 32.33 C ATOM 1827 CD PRO A 126 17.156 -7.902 22.842 1.00 24.43 C ATOM 0 HA PRO A 126 16.444 -9.338 20.004 1.00 24.04 H new ATOM 0 HB2 PRO A 126 15.216 -6.871 20.351 1.00 12.54 H new ATOM 0 HB3 PRO A 126 14.741 -8.252 21.320 1.00 12.54 H new ATOM 0 HG2 PRO A 126 16.600 -5.991 22.030 1.00 32.33 H new ATOM 0 HG3 PRO A 126 15.355 -6.740 23.010 1.00 32.33 H new ATOM 0 HD2 PRO A 126 17.985 -7.376 23.315 1.00 24.43 H new ATOM 0 HD3 PRO A 126 16.720 -8.554 23.598 1.00 24.43 H new ATOM 1835 N LYS A 127 18.026 -6.470 19.801 1.00 22.24 N ATOM 1836 CA LYS A 127 18.745 -5.612 18.867 1.00 21.12 C ATOM 1837 C LYS A 127 19.930 -6.350 18.253 1.00 43.35 C ATOM 1838 O LYS A 127 20.041 -6.458 17.031 1.00 20.21 O ATOM 1839 CB LYS A 127 19.231 -4.346 19.576 1.00 12.22 C ATOM 1840 CG LYS A 127 19.715 -4.591 20.995 1.00 52.21 C ATOM 1841 CD LYS A 127 21.084 -3.975 21.231 1.00 32.12 C ATOM 1842 CE LYS A 127 21.077 -2.479 20.956 1.00 21.22 C ATOM 1843 NZ LYS A 127 20.094 -1.762 21.814 1.00 1.25 N ATOM 0 H LYS A 127 17.994 -6.118 20.758 1.00 22.24 H new ATOM 0 HA LYS A 127 18.059 -5.333 18.067 1.00 21.12 H new ATOM 0 HB2 LYS A 127 20.041 -3.903 18.996 1.00 12.22 H new ATOM 0 HB3 LYS A 127 18.420 -3.618 19.598 1.00 12.22 H new ATOM 0 HG2 LYS A 127 18.999 -4.171 21.702 1.00 52.21 H new ATOM 0 HG3 LYS A 127 19.760 -5.663 21.185 1.00 52.21 H new ATOM 0 HD2 LYS A 127 21.393 -4.155 22.261 1.00 32.12 H new ATOM 0 HD3 LYS A 127 21.818 -4.461 20.588 1.00 32.12 H new ATOM 0 HE2 LYS A 127 22.074 -2.073 21.129 1.00 21.22 H new ATOM 0 HE3 LYS A 127 20.839 -2.304 19.907 1.00 21.22 H new ATOM 0 HZ1 LYS A 127 20.213 -0.736 21.696 1.00 1.25 H new ATOM 0 HZ2 LYS A 127 19.129 -2.033 21.537 1.00 1.25 H new ATOM 0 HZ3 LYS A 127 20.252 -2.016 22.810 1.00 1.25 H new ATOM 1857 N PHE A 128 20.814 -6.856 19.106 1.00 34.35 N ATOM 1858 CA PHE A 128 21.990 -7.584 18.647 1.00 65.51 C ATOM 1859 C PHE A 128 21.593 -8.735 17.727 1.00 42.15 C ATOM 1860 O PHE A 128 22.383 -9.178 16.891 1.00 14.21 O ATOM 1861 CB PHE A 128 22.782 -8.122 19.841 1.00 44.32 C ATOM 1862 CG PHE A 128 23.009 -9.606 19.791 1.00 42.41 C ATOM 1863 CD1 PHE A 128 22.097 -10.479 20.361 1.00 40.10 C ATOM 1864 CD2 PHE A 128 24.135 -10.127 19.174 1.00 21.32 C ATOM 1865 CE1 PHE A 128 22.302 -11.845 20.316 1.00 25.04 C ATOM 1866 CE2 PHE A 128 24.346 -11.492 19.126 1.00 34.42 C ATOM 1867 CZ PHE A 128 23.429 -12.352 19.699 1.00 31.20 C ATOM 0 H PHE A 128 20.738 -6.775 20.120 1.00 34.35 H new ATOM 0 HA PHE A 128 22.617 -6.892 18.085 1.00 65.51 H new ATOM 0 HB2 PHE A 128 23.747 -7.616 19.884 1.00 44.32 H new ATOM 0 HB3 PHE A 128 22.251 -7.875 20.760 1.00 44.32 H new ATOM 0 HD1 PHE A 128 21.215 -10.088 20.846 1.00 40.10 H new ATOM 0 HD2 PHE A 128 24.856 -9.459 18.726 1.00 21.32 H new ATOM 0 HE1 PHE A 128 21.582 -12.515 20.763 1.00 25.04 H new ATOM 0 HE2 PHE A 128 25.227 -11.886 18.641 1.00 34.42 H new ATOM 0 HZ PHE A 128 23.593 -13.419 19.665 1.00 31.20 H new ATOM 1877 N LEU A 129 20.365 -9.215 17.886 1.00 51.20 N ATOM 1878 CA LEU A 129 19.861 -10.314 17.070 1.00 23.53 C ATOM 1879 C LEU A 129 19.391 -9.812 15.709 1.00 3.11 C ATOM 1880 O LEU A 129 19.958 -10.167 14.676 1.00 45.14 O ATOM 1881 CB LEU A 129 18.713 -11.024 17.789 1.00 35.22 C ATOM 1882 CG LEU A 129 19.100 -12.228 18.649 1.00 3.52 C ATOM 1883 CD1 LEU A 129 17.926 -12.670 19.509 1.00 43.22 C ATOM 1884 CD2 LEU A 129 19.585 -13.374 17.774 1.00 31.42 C ATOM 0 H LEU A 129 19.699 -8.860 18.573 1.00 51.20 H new ATOM 0 HA LEU A 129 20.676 -11.021 16.913 1.00 23.53 H new ATOM 0 HB2 LEU A 129 18.205 -10.298 18.424 1.00 35.22 H new ATOM 0 HB3 LEU A 129 17.992 -11.354 17.041 1.00 35.22 H new ATOM 0 HG LEU A 129 19.915 -11.932 19.309 1.00 3.52 H new ATOM 0 HD11 LEU A 129 18.221 -13.528 20.114 1.00 43.22 H new ATOM 0 HD12 LEU A 129 17.625 -11.851 20.163 1.00 43.22 H new ATOM 0 HD13 LEU A 129 17.090 -12.948 18.868 1.00 43.22 H new ATOM 0 HD21 LEU A 129 19.856 -14.222 18.403 1.00 31.42 H new ATOM 0 HD22 LEU A 129 18.791 -13.670 17.088 1.00 31.42 H new ATOM 0 HD23 LEU A 129 20.456 -13.052 17.203 1.00 31.42 H new ATOM 1896 N ARG A 130 18.353 -8.982 15.717 1.00 70.45 N ATOM 1897 CA ARG A 130 17.807 -8.430 14.483 1.00 45.05 C ATOM 1898 C ARG A 130 17.501 -9.538 13.480 1.00 75.43 C ATOM 1899 O ARG A 130 17.525 -9.319 12.268 1.00 14.44 O ATOM 1900 CB ARG A 130 18.789 -7.430 13.869 1.00 51.22 C ATOM 1901 CG ARG A 130 18.226 -6.024 13.742 1.00 0.30 C ATOM 1902 CD ARG A 130 17.745 -5.493 15.083 1.00 35.45 C ATOM 1903 NE ARG A 130 16.288 -5.400 15.144 1.00 23.24 N ATOM 1904 CZ ARG A 130 15.636 -4.647 16.023 1.00 43.21 C ATOM 1905 NH1 ARG A 130 16.308 -3.925 16.909 1.00 14.43 N ATOM 1906 NH2 ARG A 130 14.310 -4.614 16.015 1.00 32.45 N ATOM 0 H ARG A 130 17.873 -8.677 16.564 1.00 70.45 H new ATOM 0 HA ARG A 130 16.877 -7.915 14.725 1.00 45.05 H new ATOM 0 HB2 ARG A 130 19.691 -7.397 14.480 1.00 51.22 H new ATOM 0 HB3 ARG A 130 19.086 -7.784 12.882 1.00 51.22 H new ATOM 0 HG2 ARG A 130 18.991 -5.360 13.340 1.00 0.30 H new ATOM 0 HG3 ARG A 130 17.399 -6.025 13.032 1.00 0.30 H new ATOM 0 HD2 ARG A 130 18.100 -6.146 15.880 1.00 35.45 H new ATOM 0 HD3 ARG A 130 18.179 -4.509 15.260 1.00 35.45 H new ATOM 0 HE ARG A 130 15.742 -5.943 14.475 1.00 23.24 H new ATOM 0 HH11 ARG A 130 17.328 -3.947 16.917 1.00 14.43 H new ATOM 0 HH12 ARG A 130 15.805 -3.348 17.583 1.00 14.43 H new ATOM 0 HH21 ARG A 130 13.790 -5.167 15.334 1.00 32.45 H new ATOM 0 HH22 ARG A 130 13.810 -4.036 16.690 1.00 32.45 H new ATOM 1920 N CYS A 131 17.213 -10.730 13.993 1.00 54.05 N ATOM 1921 CA CYS A 131 16.902 -11.874 13.143 1.00 12.45 C ATOM 1922 C CYS A 131 15.490 -12.385 13.415 1.00 51.21 C ATOM 1923 O CYS A 131 14.937 -12.169 14.493 1.00 62.24 O ATOM 1924 CB CYS A 131 17.915 -12.996 13.373 1.00 25.32 C ATOM 1925 SG CYS A 131 18.152 -14.090 11.936 1.00 72.31 S ATOM 0 H CYS A 131 17.189 -10.929 14.993 1.00 54.05 H new ATOM 0 HA CYS A 131 16.959 -11.550 12.104 1.00 12.45 H new ATOM 0 HB2 CYS A 131 18.875 -12.555 13.642 1.00 25.32 H new ATOM 0 HB3 CYS A 131 17.590 -13.596 14.223 1.00 25.32 H new ATOM 1930 N ASN A 132 14.913 -13.064 12.429 1.00 54.32 N ATOM 1931 CA ASN A 132 13.565 -13.606 12.561 1.00 41.23 C ATOM 1932 C ASN A 132 13.593 -15.131 12.588 1.00 55.04 C ATOM 1933 O ASN A 132 14.125 -15.768 11.679 1.00 2.43 O ATOM 1934 CB ASN A 132 12.683 -13.121 11.409 1.00 52.34 C ATOM 1935 CG ASN A 132 13.467 -12.912 10.128 1.00 63.44 C ATOM 1936 OD1 ASN A 132 13.578 -11.792 9.630 1.00 42.03 O ATOM 1937 ND2 ASN A 132 14.016 -13.994 9.588 1.00 61.44 N ATOM 0 H ASN A 132 15.357 -13.252 11.530 1.00 54.32 H new ATOM 0 HA ASN A 132 13.148 -13.251 13.503 1.00 41.23 H new ATOM 0 HB2 ASN A 132 11.890 -13.847 11.232 1.00 52.34 H new ATOM 0 HB3 ASN A 132 12.201 -12.186 11.693 1.00 52.34 H new ATOM 0 HD21 ASN A 132 14.556 -13.916 8.726 1.00 61.44 H new ATOM 0 HD22 ASN A 132 13.898 -14.903 10.035 1.00 61.44 H new ATOM 1944 N GLU A 133 13.014 -15.709 13.635 1.00 20.45 N ATOM 1945 CA GLU A 133 12.973 -17.160 13.780 1.00 13.22 C ATOM 1946 C GLU A 133 11.538 -17.648 13.959 1.00 21.15 C ATOM 1947 O GLU A 133 11.090 -18.564 13.268 1.00 1.42 O ATOM 1948 CB GLU A 133 13.826 -17.600 14.972 1.00 74.21 C ATOM 1949 CG GLU A 133 13.868 -19.107 15.166 1.00 3.52 C ATOM 1950 CD GLU A 133 15.066 -19.748 14.493 1.00 51.13 C ATOM 1951 OE1 GLU A 133 16.175 -19.184 14.594 1.00 5.41 O ATOM 1952 OE2 GLU A 133 14.894 -20.813 13.864 1.00 21.25 O ATOM 0 H GLU A 133 12.567 -15.196 14.395 1.00 20.45 H new ATOM 0 HA GLU A 133 13.378 -17.602 12.870 1.00 13.22 H new ATOM 0 HB2 GLU A 133 14.843 -17.231 14.837 1.00 74.21 H new ATOM 0 HB3 GLU A 133 13.436 -17.136 15.878 1.00 74.21 H new ATOM 0 HG2 GLU A 133 13.891 -19.332 16.232 1.00 3.52 H new ATOM 0 HG3 GLU A 133 12.954 -19.547 14.768 1.00 3.52 H new ATOM 1959 N THR A 134 10.821 -17.031 14.894 1.00 43.45 N ATOM 1960 CA THR A 134 9.439 -17.402 15.166 1.00 33.20 C ATOM 1961 C THR A 134 8.619 -17.450 13.882 1.00 51.13 C ATOM 1962 O THR A 134 7.674 -18.232 13.765 1.00 44.04 O ATOM 1963 CB THR A 134 8.776 -16.418 16.149 1.00 73.45 C ATOM 1964 OG1 THR A 134 8.725 -15.109 15.571 1.00 1.03 O ATOM 1965 CG2 THR A 134 9.540 -16.369 17.463 1.00 34.42 C ATOM 0 H THR A 134 11.176 -16.272 15.475 1.00 43.45 H new ATOM 0 HA THR A 134 9.461 -18.394 15.616 1.00 33.20 H new ATOM 0 HB THR A 134 7.763 -16.766 16.350 1.00 73.45 H new ATOM 0 HG1 THR A 134 8.301 -14.490 16.201 1.00 1.03 H new ATOM 0 HG21 THR A 134 9.053 -15.668 18.141 1.00 34.42 H new ATOM 0 HG22 THR A 134 9.552 -17.361 17.914 1.00 34.42 H new ATOM 0 HG23 THR A 134 10.563 -16.043 17.277 1.00 34.42 H new ATOM 1973 N LEU A 135 8.985 -16.610 12.920 1.00 3.00 N ATOM 1974 CA LEU A 135 8.284 -16.557 11.642 1.00 14.12 C ATOM 1975 C LEU A 135 8.380 -17.893 10.912 1.00 13.23 C ATOM 1976 O LEU A 135 8.763 -18.906 11.498 1.00 44.35 O ATOM 1977 CB LEU A 135 8.860 -15.442 10.767 1.00 31.24 C ATOM 1978 CG LEU A 135 9.137 -14.113 11.470 1.00 14.42 C ATOM 1979 CD1 LEU A 135 9.559 -13.054 10.463 1.00 34.20 C ATOM 1980 CD2 LEU A 135 7.910 -13.654 12.246 1.00 24.31 C ATOM 0 H LEU A 135 9.764 -15.956 13.001 1.00 3.00 H new ATOM 0 HA LEU A 135 7.233 -16.348 11.841 1.00 14.12 H new ATOM 0 HB2 LEU A 135 9.791 -15.798 10.326 1.00 31.24 H new ATOM 0 HB3 LEU A 135 8.168 -15.258 9.945 1.00 31.24 H new ATOM 0 HG LEU A 135 9.955 -14.261 12.175 1.00 14.42 H new ATOM 0 HD11 LEU A 135 9.752 -12.115 10.982 1.00 34.20 H new ATOM 0 HD12 LEU A 135 10.465 -13.379 9.952 1.00 34.20 H new ATOM 0 HD13 LEU A 135 8.763 -12.908 9.733 1.00 34.20 H new ATOM 0 HD21 LEU A 135 8.125 -12.707 12.740 1.00 24.31 H new ATOM 0 HD22 LEU A 135 7.073 -13.523 11.560 1.00 24.31 H new ATOM 0 HD23 LEU A 135 7.652 -14.403 12.995 1.00 24.31 H new ATOM 1992 N PHE A 136 8.031 -17.887 9.630 1.00 34.00 N ATOM 1993 CA PHE A 136 8.079 -19.098 8.819 1.00 34.12 C ATOM 1994 C PHE A 136 9.148 -18.986 7.736 1.00 12.34 C ATOM 1995 O PHE A 136 8.853 -18.822 6.552 1.00 3.12 O ATOM 1996 CB PHE A 136 6.714 -19.363 8.179 1.00 24.10 C ATOM 1997 CG PHE A 136 5.733 -20.018 9.109 1.00 61.14 C ATOM 1998 CD1 PHE A 136 5.335 -19.385 10.275 1.00 53.01 C ATOM 1999 CD2 PHE A 136 5.209 -21.267 8.816 1.00 24.24 C ATOM 2000 CE1 PHE A 136 4.432 -19.985 11.132 1.00 14.33 C ATOM 2001 CE2 PHE A 136 4.306 -21.872 9.670 1.00 53.53 C ATOM 2002 CZ PHE A 136 3.917 -21.230 10.830 1.00 63.23 C ATOM 0 H PHE A 136 7.712 -17.057 9.130 1.00 34.00 H new ATOM 0 HA PHE A 136 8.335 -19.932 9.472 1.00 34.12 H new ATOM 0 HB2 PHE A 136 6.296 -18.419 7.829 1.00 24.10 H new ATOM 0 HB3 PHE A 136 6.850 -19.996 7.302 1.00 24.10 H new ATOM 0 HD1 PHE A 136 5.735 -18.411 10.517 1.00 53.01 H new ATOM 0 HD2 PHE A 136 5.509 -21.773 7.911 1.00 24.24 H new ATOM 0 HE1 PHE A 136 4.129 -19.480 12.038 1.00 14.33 H new ATOM 0 HE2 PHE A 136 3.905 -22.846 9.431 1.00 53.53 H new ATOM 0 HZ PHE A 136 3.212 -21.701 11.499 1.00 63.23 H new ATOM 2012 N PRO A 137 10.420 -19.075 8.151 1.00 44.13 N ATOM 2013 CA PRO A 137 11.560 -18.986 7.233 1.00 51.12 C ATOM 2014 C PRO A 137 11.668 -20.205 6.323 1.00 52.32 C ATOM 2015 O PRO A 137 10.743 -21.014 6.239 1.00 64.22 O ATOM 2016 CB PRO A 137 12.767 -18.911 8.172 1.00 74.04 C ATOM 2017 CG PRO A 137 12.313 -19.574 9.426 1.00 75.31 C ATOM 2018 CD PRO A 137 10.845 -19.270 9.547 1.00 31.22 C ATOM 0 HA PRO A 137 11.474 -18.134 6.558 1.00 51.12 H new ATOM 0 HB2 PRO A 137 13.632 -19.419 7.746 1.00 74.04 H new ATOM 0 HB3 PRO A 137 13.063 -17.878 8.355 1.00 74.04 H new ATOM 0 HG2 PRO A 137 12.487 -20.649 9.384 1.00 75.31 H new ATOM 0 HG3 PRO A 137 12.862 -19.196 10.288 1.00 75.31 H new ATOM 0 HD2 PRO A 137 10.303 -20.088 10.021 1.00 31.22 H new ATOM 0 HD3 PRO A 137 10.668 -18.379 10.149 1.00 31.22 H new ATOM 2026 N THR A 138 12.803 -20.331 5.642 1.00 12.11 N ATOM 2027 CA THR A 138 13.031 -21.451 4.738 1.00 42.43 C ATOM 2028 C THR A 138 12.054 -21.421 3.568 1.00 31.02 C ATOM 2029 O THR A 138 10.843 -21.539 3.754 1.00 15.25 O ATOM 2030 CB THR A 138 12.898 -22.800 5.469 1.00 2.31 C ATOM 2031 OG1 THR A 138 11.536 -23.240 5.441 1.00 12.24 O ATOM 2032 CG2 THR A 138 13.369 -22.682 6.911 1.00 63.42 C ATOM 0 H THR A 138 13.578 -19.671 5.700 1.00 12.11 H new ATOM 0 HA THR A 138 14.049 -21.350 4.361 1.00 42.43 H new ATOM 0 HB THR A 138 13.525 -23.530 4.957 1.00 2.31 H new ATOM 0 HG1 THR A 138 10.946 -22.468 5.313 1.00 12.24 H new ATOM 0 HG21 THR A 138 13.266 -23.647 7.408 1.00 63.42 H new ATOM 0 HG22 THR A 138 14.415 -22.375 6.928 1.00 63.42 H new ATOM 0 HG23 THR A 138 12.764 -21.940 7.432 1.00 63.42 H new ATOM 2040 N LYS A 139 12.587 -21.264 2.361 1.00 1.44 N ATOM 2041 CA LYS A 139 11.763 -21.221 1.160 1.00 55.53 C ATOM 2042 C LYS A 139 11.013 -22.535 0.967 1.00 15.31 C ATOM 2043 O LYS A 139 11.222 -23.495 1.709 1.00 42.22 O ATOM 2044 CB LYS A 139 12.629 -20.931 -0.068 1.00 51.31 C ATOM 2045 CG LYS A 139 13.590 -22.055 -0.414 1.00 34.34 C ATOM 2046 CD LYS A 139 13.467 -22.466 -1.871 1.00 54.45 C ATOM 2047 CE LYS A 139 13.847 -21.327 -2.805 1.00 53.41 C ATOM 2048 NZ LYS A 139 13.789 -21.739 -4.235 1.00 13.40 N ATOM 0 H LYS A 139 13.587 -21.164 2.189 1.00 1.44 H new ATOM 0 HA LYS A 139 11.033 -20.420 1.280 1.00 55.53 H new ATOM 0 HB2 LYS A 139 11.980 -20.743 -0.923 1.00 51.31 H new ATOM 0 HB3 LYS A 139 13.199 -20.018 0.107 1.00 51.31 H new ATOM 0 HG2 LYS A 139 14.612 -21.736 -0.210 1.00 34.34 H new ATOM 0 HG3 LYS A 139 13.391 -22.915 0.225 1.00 34.34 H new ATOM 0 HD2 LYS A 139 14.109 -23.325 -2.063 1.00 54.45 H new ATOM 0 HD3 LYS A 139 12.444 -22.781 -2.076 1.00 54.45 H new ATOM 0 HE2 LYS A 139 13.175 -20.484 -2.642 1.00 53.41 H new ATOM 0 HE3 LYS A 139 14.853 -20.983 -2.567 1.00 53.41 H new ATOM 0 HZ1 LYS A 139 14.055 -20.935 -4.839 1.00 13.40 H new ATOM 0 HZ2 LYS A 139 14.449 -22.526 -4.396 1.00 13.40 H new ATOM 0 HZ3 LYS A 139 12.823 -22.044 -4.470 1.00 13.40 H new TER 2062 LYS A 139