USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 376 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 34 CYS SG : rot 9:sc= -25.1! USER MOD Set 1.2: A 40 CYS SG : rot 122:sc= -26.3! USER MOD Set 2.1: A 23 HIS :FLIP no HD1:sc= -0.311 F(o=-1.2,f=-0.31) USER MOD Set 2.2: A 32 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00393) USER MOD Set 3.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 26 SER OG : rot 90:sc= 1.26 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.145 F(o=-1.1,f=-0.15) USER MOD Single : A 4 ASN :FLIP amide:sc= -0.0242 F(o=-0.91,f=-0.024) USER MOD Single : A 5 THR OG1 : rot -48:sc= 1.01 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.224 F(o=-4.5!,f=-0.22) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot -95:sc= 0.467 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN :FLIP amide:sc= -1.03 F(o=-2.3!,f=-1) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.476 K(o=-0.48,f=-8.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.328 0.000 0.000 1.00 4.00 N ATOM 2 CA LEU A 1 2.094 0.000 -1.242 1.00 75.31 C ATOM 3 C LEU A 1 2.728 -1.365 -1.491 1.00 33.13 C ATOM 4 O LEU A 1 3.044 -2.093 -0.550 1.00 71.02 O ATOM 5 CB LEU A 1 3.178 1.078 -1.197 1.00 34.14 C ATOM 6 CG LEU A 1 3.248 2.010 -2.407 1.00 4.14 C ATOM 7 CD1 LEU A 1 3.673 1.242 -3.648 1.00 62.33 C ATOM 8 CD2 LEU A 1 1.908 2.693 -2.633 1.00 15.23 C ATOM 0 H1 LEU A 1 0.906 0.939 0.148 1.00 4.00 H new ATOM 0 H2 LEU A 1 0.573 -0.713 -0.058 1.00 4.00 H new ATOM 0 H3 LEU A 1 1.958 -0.226 0.796 1.00 4.00 H new ATOM 0 HA LEU A 1 1.409 0.217 -2.062 1.00 75.31 H new ATOM 0 HB2 LEU A 1 3.022 1.685 -0.305 1.00 34.14 H new ATOM 0 HB3 LEU A 1 4.145 0.588 -1.084 1.00 34.14 H new ATOM 0 HG LEU A 1 3.995 2.778 -2.207 1.00 4.14 H new ATOM 0 HD11 LEU A 1 3.717 1.922 -4.499 1.00 62.33 H new ATOM 0 HD12 LEU A 1 4.656 0.801 -3.484 1.00 62.33 H new ATOM 0 HD13 LEU A 1 2.951 0.452 -3.852 1.00 62.33 H new ATOM 0 HD21 LEU A 1 1.977 3.352 -3.498 1.00 15.23 H new ATOM 0 HD22 LEU A 1 1.141 1.939 -2.811 1.00 15.23 H new ATOM 0 HD23 LEU A 1 1.644 3.278 -1.752 1.00 15.23 H new ATOM 20 N GLN A 2 2.912 -1.703 -2.763 1.00 21.33 N ATOM 21 CA GLN A 2 3.510 -2.980 -3.134 1.00 62.21 C ATOM 22 C GLN A 2 4.603 -2.786 -4.180 1.00 2.42 C ATOM 23 O GLN A 2 4.548 -1.856 -4.985 1.00 42.22 O ATOM 24 CB GLN A 2 2.440 -3.932 -3.669 1.00 75.54 C ATOM 25 CG GLN A 2 1.926 -4.917 -2.631 1.00 3.44 C ATOM 26 CD GLN A 2 1.080 -6.018 -3.238 1.00 64.21 C ATOM 27 OE1 GLN A 2 1.700 -6.853 -4.064 1.00 40.44 O flip ATOM 28 NE2 GLN A 2 -0.117 -6.118 -2.968 1.00 32.51 N flip ATOM 0 H GLN A 2 2.656 -1.111 -3.553 1.00 21.33 H new ATOM 0 HA GLN A 2 3.960 -3.415 -2.241 1.00 62.21 H new ATOM 0 HB2 GLN A 2 1.602 -3.347 -4.048 1.00 75.54 H new ATOM 0 HB3 GLN A 2 2.849 -4.487 -4.513 1.00 75.54 H new ATOM 0 HG2 GLN A 2 2.772 -5.362 -2.108 1.00 3.44 H new ATOM 0 HG3 GLN A 2 1.337 -4.380 -1.887 1.00 3.44 H new ATOM 0 HE21 GLN A 2 -0.553 -5.454 -2.328 1.00 32.51 H new ATOM 0 HE22 GLN A 2 -0.673 -6.865 -3.384 1.00 32.51 H new ATOM 37 N CYS A 3 5.596 -3.668 -4.162 1.00 23.42 N ATOM 38 CA CYS A 3 6.703 -3.594 -5.107 1.00 64.14 C ATOM 39 C CYS A 3 7.004 -4.967 -5.702 1.00 22.13 C ATOM 40 O CYS A 3 6.731 -5.995 -5.084 1.00 60.30 O ATOM 41 CB CYS A 3 7.952 -3.039 -4.420 1.00 24.11 C ATOM 42 SG CYS A 3 7.637 -1.589 -3.364 1.00 3.51 S ATOM 0 H CYS A 3 5.657 -4.443 -3.502 1.00 23.42 H new ATOM 0 HA CYS A 3 6.413 -2.923 -5.915 1.00 64.14 H new ATOM 0 HB2 CYS A 3 8.400 -3.826 -3.814 1.00 24.11 H new ATOM 0 HB3 CYS A 3 8.683 -2.768 -5.182 1.00 24.11 H new ATOM 47 N ASN A 4 7.569 -4.974 -6.905 1.00 32.12 N ATOM 48 CA ASN A 4 7.907 -6.220 -7.583 1.00 72.12 C ATOM 49 C ASN A 4 9.228 -6.780 -7.065 1.00 60.45 C ATOM 50 O ASN A 4 10.050 -6.051 -6.509 1.00 52.04 O ATOM 51 CB ASN A 4 7.992 -5.995 -9.094 1.00 64.42 C ATOM 52 CG ASN A 4 6.650 -5.640 -9.703 1.00 34.01 C ATOM 53 OD1 ASN A 4 6.216 -4.402 -9.497 1.00 22.15 O flip ATOM 54 ND2 ASN A 4 6.010 -6.469 -10.351 1.00 41.21 N flip ATOM 0 H ASN A 4 7.802 -4.131 -7.430 1.00 32.12 H new ATOM 0 HA ASN A 4 7.120 -6.944 -7.374 1.00 72.12 H new ATOM 0 HB2 ASN A 4 8.704 -5.196 -9.300 1.00 64.42 H new ATOM 0 HB3 ASN A 4 8.377 -6.896 -9.571 1.00 64.42 H new ATOM 0 HD21 ASN A 4 6.382 -7.409 -10.484 1.00 41.21 H new ATOM 0 HD22 ASN A 4 5.108 -6.215 -10.754 1.00 41.21 H new ATOM 61 N THR A 5 9.427 -8.082 -7.252 1.00 52.45 N ATOM 62 CA THR A 5 10.647 -8.741 -6.805 1.00 1.55 C ATOM 63 C THR A 5 11.385 -9.385 -7.973 1.00 13.33 C ATOM 64 O THR A 5 10.785 -9.697 -9.002 1.00 63.43 O ATOM 65 CB THR A 5 10.347 -9.817 -5.745 1.00 24.43 C ATOM 66 OG1 THR A 5 9.675 -10.927 -6.350 1.00 53.03 O ATOM 67 CG2 THR A 5 9.491 -9.249 -4.623 1.00 70.41 C ATOM 0 H THR A 5 8.758 -8.700 -7.710 1.00 52.45 H new ATOM 0 HA THR A 5 11.278 -7.971 -6.362 1.00 1.55 H new ATOM 0 HB THR A 5 11.294 -10.153 -5.323 1.00 24.43 H new ATOM 0 HG1 THR A 5 8.942 -10.599 -6.912 1.00 53.03 H new ATOM 0 HG21 THR A 5 9.293 -10.028 -3.887 1.00 70.41 H new ATOM 0 HG22 THR A 5 10.019 -8.424 -4.145 1.00 70.41 H new ATOM 0 HG23 THR A 5 8.548 -8.888 -5.032 1.00 70.41 H new ATOM 75 N LEU A 6 12.688 -9.582 -7.807 1.00 11.40 N ATOM 76 CA LEU A 6 13.508 -10.190 -8.848 1.00 63.25 C ATOM 77 C LEU A 6 13.115 -11.647 -9.070 1.00 75.10 C ATOM 78 O LEU A 6 13.356 -12.210 -10.138 1.00 34.20 O ATOM 79 CB LEU A 6 14.989 -10.101 -8.476 1.00 22.32 C ATOM 80 CG LEU A 6 15.500 -11.161 -7.499 1.00 3.22 C ATOM 81 CD1 LEU A 6 17.015 -11.092 -7.382 1.00 30.45 C ATOM 82 CD2 LEU A 6 14.849 -10.986 -6.134 1.00 64.34 C ATOM 0 H LEU A 6 13.199 -9.329 -6.961 1.00 11.40 H new ATOM 0 HA LEU A 6 13.339 -9.642 -9.775 1.00 63.25 H new ATOM 0 HB2 LEU A 6 15.578 -10.165 -9.391 1.00 22.32 H new ATOM 0 HB3 LEU A 6 15.176 -9.118 -8.045 1.00 22.32 H new ATOM 0 HG LEU A 6 15.230 -12.144 -7.885 1.00 3.22 H new ATOM 0 HD11 LEU A 6 17.361 -11.853 -6.683 1.00 30.45 H new ATOM 0 HD12 LEU A 6 17.464 -11.267 -8.360 1.00 30.45 H new ATOM 0 HD13 LEU A 6 17.307 -10.107 -7.019 1.00 30.45 H new ATOM 0 HD21 LEU A 6 15.224 -11.749 -5.452 1.00 64.34 H new ATOM 0 HD22 LEU A 6 15.088 -9.998 -5.741 1.00 64.34 H new ATOM 0 HD23 LEU A 6 13.768 -11.086 -6.231 1.00 64.34 H new ATOM 94 N ASP A 7 12.506 -12.251 -8.055 1.00 50.22 N ATOM 95 CA ASP A 7 12.075 -13.641 -8.140 1.00 22.51 C ATOM 96 C ASP A 7 10.797 -13.765 -8.963 1.00 33.22 C ATOM 97 O ASP A 7 10.320 -14.868 -9.226 1.00 62.42 O ATOM 98 CB ASP A 7 11.853 -14.215 -6.740 1.00 13.14 C ATOM 99 CG ASP A 7 11.668 -15.720 -6.753 1.00 13.42 C ATOM 100 OD1 ASP A 7 12.686 -16.443 -6.735 1.00 73.13 O ATOM 101 OD2 ASP A 7 10.505 -16.174 -6.780 1.00 11.32 O ATOM 0 H ASP A 7 12.300 -11.799 -7.164 1.00 50.22 H new ATOM 0 HA ASP A 7 12.861 -14.209 -8.637 1.00 22.51 H new ATOM 0 HB2 ASP A 7 12.704 -13.962 -6.108 1.00 13.14 H new ATOM 0 HB3 ASP A 7 10.975 -13.748 -6.294 1.00 13.14 H new ATOM 106 N GLY A 8 10.245 -12.624 -9.365 1.00 61.24 N ATOM 107 CA GLY A 8 9.026 -12.627 -10.153 1.00 2.10 C ATOM 108 C GLY A 8 7.783 -12.488 -9.297 1.00 73.42 C ATOM 109 O GLY A 8 6.679 -12.323 -9.815 1.00 43.54 O ATOM 0 H GLY A 8 10.620 -11.698 -9.159 1.00 61.24 H new ATOM 0 HA2 GLY A 8 9.061 -11.810 -10.874 1.00 2.10 H new ATOM 0 HA3 GLY A 8 8.968 -13.553 -10.724 1.00 2.10 H new ATOM 113 N GLY A 9 7.961 -12.558 -7.981 1.00 73.23 N ATOM 114 CA GLY A 9 6.835 -12.439 -7.073 1.00 70.32 C ATOM 115 C GLY A 9 6.586 -11.007 -6.643 1.00 20.43 C ATOM 116 O GLY A 9 7.311 -10.095 -7.042 1.00 21.41 O ATOM 0 H GLY A 9 8.864 -12.695 -7.528 1.00 73.23 H new ATOM 0 HA2 GLY A 9 5.940 -12.831 -7.556 1.00 70.32 H new ATOM 0 HA3 GLY A 9 7.017 -13.054 -6.191 1.00 70.32 H new ATOM 120 N THR A 10 5.556 -10.807 -5.826 1.00 41.12 N ATOM 121 CA THR A 10 5.211 -9.476 -5.344 1.00 3.34 C ATOM 122 C THR A 10 5.506 -9.337 -3.854 1.00 64.35 C ATOM 123 O THR A 10 5.352 -10.290 -3.091 1.00 40.12 O ATOM 124 CB THR A 10 3.725 -9.155 -5.593 1.00 23.33 C ATOM 125 OG1 THR A 10 2.925 -10.316 -5.342 1.00 1.15 O ATOM 126 CG2 THR A 10 3.506 -8.682 -7.022 1.00 2.54 C ATOM 0 H THR A 10 4.947 -11.550 -5.485 1.00 41.12 H new ATOM 0 HA THR A 10 5.826 -8.769 -5.901 1.00 3.34 H new ATOM 0 HB THR A 10 3.429 -8.356 -4.913 1.00 23.33 H new ATOM 0 HG1 THR A 10 1.982 -10.104 -5.501 1.00 1.15 H new ATOM 0 HG21 THR A 10 2.449 -8.461 -7.174 1.00 2.54 H new ATOM 0 HG22 THR A 10 4.094 -7.782 -7.202 1.00 2.54 H new ATOM 0 HG23 THR A 10 3.817 -9.463 -7.716 1.00 2.54 H new ATOM 134 N GLU A 11 5.931 -8.145 -3.448 1.00 41.24 N ATOM 135 CA GLU A 11 6.248 -7.883 -2.049 1.00 72.22 C ATOM 136 C GLU A 11 5.522 -6.636 -1.551 1.00 65.41 C ATOM 137 O GLU A 11 5.304 -5.690 -2.307 1.00 22.14 O ATOM 138 CB GLU A 11 7.758 -7.715 -1.868 1.00 12.21 C ATOM 139 CG GLU A 11 8.369 -6.672 -2.788 1.00 52.24 C ATOM 140 CD GLU A 11 9.807 -6.350 -2.432 1.00 11.43 C ATOM 141 OE1 GLU A 11 10.486 -7.225 -1.856 1.00 2.45 O ATOM 142 OE2 GLU A 11 10.253 -5.222 -2.729 1.00 51.44 O ATOM 0 H GLU A 11 6.064 -7.346 -4.068 1.00 41.24 H new ATOM 0 HA GLU A 11 5.912 -8.737 -1.461 1.00 72.22 H new ATOM 0 HB2 GLU A 11 7.963 -7.439 -0.834 1.00 12.21 H new ATOM 0 HB3 GLU A 11 8.246 -8.674 -2.045 1.00 12.21 H new ATOM 0 HG2 GLU A 11 8.325 -7.030 -3.817 1.00 52.24 H new ATOM 0 HG3 GLU A 11 7.774 -5.760 -2.742 1.00 52.24 H new ATOM 149 N GLU A 12 5.152 -6.645 -0.275 1.00 34.05 N ATOM 150 CA GLU A 12 4.450 -5.516 0.324 1.00 54.41 C ATOM 151 C GLU A 12 5.437 -4.494 0.880 1.00 43.12 C ATOM 152 O GLU A 12 6.259 -4.812 1.740 1.00 65.15 O ATOM 153 CB GLU A 12 3.517 -5.998 1.437 1.00 2.01 C ATOM 154 CG GLU A 12 4.240 -6.699 2.575 1.00 74.41 C ATOM 155 CD GLU A 12 3.287 -7.363 3.550 1.00 14.00 C ATOM 156 OE1 GLU A 12 2.288 -6.718 3.934 1.00 22.53 O ATOM 157 OE2 GLU A 12 3.539 -8.526 3.929 1.00 51.41 O ATOM 0 H GLU A 12 5.326 -7.421 0.364 1.00 34.05 H new ATOM 0 HA GLU A 12 3.857 -5.036 -0.455 1.00 54.41 H new ATOM 0 HB2 GLU A 12 2.970 -5.144 1.836 1.00 2.01 H new ATOM 0 HB3 GLU A 12 2.779 -6.679 1.012 1.00 2.01 H new ATOM 0 HG2 GLU A 12 4.915 -7.450 2.164 1.00 74.41 H new ATOM 0 HG3 GLU A 12 4.856 -5.976 3.110 1.00 74.41 H new ATOM 164 N CYS A 13 5.351 -3.265 0.382 1.00 13.34 N ATOM 165 CA CYS A 13 6.236 -2.195 0.827 1.00 60.21 C ATOM 166 C CYS A 13 5.506 -1.241 1.768 1.00 25.24 C ATOM 167 O CYS A 13 4.595 -0.523 1.357 1.00 71.03 O ATOM 168 CB CYS A 13 6.782 -1.424 -0.376 1.00 41.41 C ATOM 169 SG CYS A 13 7.902 -2.394 -1.436 1.00 32.12 S ATOM 0 H CYS A 13 4.677 -2.985 -0.330 1.00 13.34 H new ATOM 0 HA CYS A 13 7.067 -2.646 1.369 1.00 60.21 H new ATOM 0 HB2 CYS A 13 5.945 -1.071 -0.978 1.00 41.41 H new ATOM 0 HB3 CYS A 13 7.312 -0.541 -0.018 1.00 41.41 H new ATOM 174 N ILE A 14 5.914 -1.240 3.033 1.00 44.11 N ATOM 175 CA ILE A 14 5.301 -0.374 4.032 1.00 10.30 C ATOM 176 C ILE A 14 5.823 1.054 3.917 1.00 45.21 C ATOM 177 O ILE A 14 6.994 1.291 3.616 1.00 55.20 O ATOM 178 CB ILE A 14 5.560 -0.890 5.460 1.00 42.32 C ATOM 179 CG1 ILE A 14 7.064 -0.963 5.734 1.00 13.30 C ATOM 180 CG2 ILE A 14 4.914 -2.253 5.656 1.00 53.11 C ATOM 181 CD1 ILE A 14 7.401 -1.449 7.126 1.00 62.41 C ATOM 0 H ILE A 14 6.666 -1.829 3.390 1.00 44.11 H new ATOM 0 HA ILE A 14 4.228 -0.382 3.841 1.00 10.30 H new ATOM 0 HB ILE A 14 5.114 -0.193 6.169 1.00 42.32 H new ATOM 0 HG12 ILE A 14 7.526 -1.627 5.004 1.00 13.30 H new ATOM 0 HG13 ILE A 14 7.500 0.025 5.587 1.00 13.30 H new ATOM 0 HG21 ILE A 14 5.106 -2.604 6.670 1.00 53.11 H new ATOM 0 HG22 ILE A 14 3.839 -2.172 5.497 1.00 53.11 H new ATOM 0 HG23 ILE A 14 5.334 -2.961 4.941 1.00 53.11 H new ATOM 0 HD11 ILE A 14 8.484 -1.476 7.250 1.00 62.41 H new ATOM 0 HD12 ILE A 14 6.968 -0.772 7.862 1.00 62.41 H new ATOM 0 HD13 ILE A 14 6.995 -2.450 7.270 1.00 62.41 H new ATOM 193 N PRO A 15 4.937 2.030 4.164 1.00 41.24 N ATOM 194 CA PRO A 15 5.286 3.452 4.096 1.00 4.32 C ATOM 195 C PRO A 15 6.215 3.875 5.229 1.00 2.41 C ATOM 196 O PRO A 15 6.870 4.914 5.153 1.00 15.52 O ATOM 197 CB PRO A 15 3.933 4.156 4.223 1.00 1.41 C ATOM 198 CG PRO A 15 3.070 3.188 4.955 1.00 14.25 C ATOM 199 CD PRO A 15 3.526 1.821 4.528 1.00 72.42 C ATOM 0 HA PRO A 15 5.824 3.696 3.180 1.00 4.32 H new ATOM 0 HB2 PRO A 15 4.025 5.095 4.768 1.00 1.41 H new ATOM 0 HB3 PRO A 15 3.518 4.395 3.244 1.00 1.41 H new ATOM 0 HG2 PRO A 15 3.170 3.314 6.033 1.00 14.25 H new ATOM 0 HG3 PRO A 15 2.019 3.342 4.713 1.00 14.25 H new ATOM 0 HD2 PRO A 15 3.422 1.093 5.333 1.00 72.42 H new ATOM 0 HD3 PRO A 15 2.944 1.449 3.685 1.00 72.42 H new ATOM 207 N GLY A 16 6.268 3.062 6.280 1.00 42.40 N ATOM 208 CA GLY A 16 7.120 3.370 7.414 1.00 45.04 C ATOM 209 C GLY A 16 8.594 3.334 7.058 1.00 15.21 C ATOM 210 O GLY A 16 9.423 3.911 7.762 1.00 31.03 O ATOM 0 H GLY A 16 5.736 2.196 6.366 1.00 42.40 H new ATOM 0 HA2 GLY A 16 6.866 4.358 7.798 1.00 45.04 H new ATOM 0 HA3 GLY A 16 6.925 2.657 8.215 1.00 45.04 H new ATOM 214 N ILE A 17 8.920 2.654 5.964 1.00 1.42 N ATOM 215 CA ILE A 17 10.303 2.545 5.518 1.00 44.44 C ATOM 216 C ILE A 17 10.394 2.574 3.996 1.00 54.24 C ATOM 217 O ILE A 17 10.906 3.529 3.412 1.00 51.34 O ATOM 218 CB ILE A 17 10.962 1.253 6.035 1.00 10.14 C ATOM 219 CG1 ILE A 17 10.722 1.099 7.539 1.00 53.24 C ATOM 220 CG2 ILE A 17 12.452 1.259 5.730 1.00 63.15 C ATOM 221 CD1 ILE A 17 11.326 -0.159 8.121 1.00 32.14 C ATOM 0 H ILE A 17 8.246 2.171 5.371 1.00 1.42 H new ATOM 0 HA ILE A 17 10.835 3.404 5.928 1.00 44.44 H new ATOM 0 HB ILE A 17 10.510 0.403 5.524 1.00 10.14 H new ATOM 0 HG12 ILE A 17 11.137 1.964 8.056 1.00 53.24 H new ATOM 0 HG13 ILE A 17 9.649 1.099 7.729 1.00 53.24 H new ATOM 0 HG21 ILE A 17 12.903 0.339 6.102 1.00 63.15 H new ATOM 0 HG22 ILE A 17 12.603 1.327 4.653 1.00 63.15 H new ATOM 0 HG23 ILE A 17 12.920 2.115 6.217 1.00 63.15 H new ATOM 0 HD11 ILE A 17 11.117 -0.202 9.190 1.00 32.14 H new ATOM 0 HD12 ILE A 17 10.893 -1.031 7.631 1.00 32.14 H new ATOM 0 HD13 ILE A 17 12.404 -0.152 7.962 1.00 32.14 H new ATOM 233 N TYR A 18 9.891 1.522 3.359 1.00 40.31 N ATOM 234 CA TYR A 18 9.915 1.426 1.904 1.00 1.22 C ATOM 235 C TYR A 18 8.934 2.412 1.277 1.00 61.22 C ATOM 236 O TYR A 18 7.724 2.193 1.291 1.00 55.54 O ATOM 237 CB TYR A 18 9.578 0.002 1.461 1.00 71.43 C ATOM 238 CG TYR A 18 10.379 -1.061 2.178 1.00 34.52 C ATOM 239 CD1 TYR A 18 11.736 -0.892 2.420 1.00 63.34 C ATOM 240 CD2 TYR A 18 9.777 -2.235 2.616 1.00 73.02 C ATOM 241 CE1 TYR A 18 12.472 -1.861 3.074 1.00 34.40 C ATOM 242 CE2 TYR A 18 10.504 -3.209 3.272 1.00 10.14 C ATOM 243 CZ TYR A 18 11.851 -3.018 3.499 1.00 41.33 C ATOM 244 OH TYR A 18 12.580 -3.985 4.152 1.00 12.13 O ATOM 0 H TYR A 18 9.462 0.724 3.827 1.00 40.31 H new ATOM 0 HA TYR A 18 10.920 1.676 1.565 1.00 1.22 H new ATOM 0 HB2 TYR A 18 8.516 -0.180 1.629 1.00 71.43 H new ATOM 0 HB3 TYR A 18 9.751 -0.086 0.388 1.00 71.43 H new ATOM 0 HD1 TYR A 18 12.225 0.013 2.091 1.00 63.34 H new ATOM 0 HD2 TYR A 18 8.722 -2.388 2.440 1.00 73.02 H new ATOM 0 HE1 TYR A 18 13.527 -1.714 3.252 1.00 34.40 H new ATOM 0 HE2 TYR A 18 10.020 -4.115 3.605 1.00 10.14 H new ATOM 0 HH TYR A 18 11.994 -4.735 4.385 1.00 12.13 H new ATOM 254 N ASN A 19 9.467 3.498 0.726 1.00 22.33 N ATOM 255 CA ASN A 19 8.640 4.518 0.093 1.00 11.30 C ATOM 256 C ASN A 19 9.006 4.678 -1.380 1.00 14.25 C ATOM 257 O ASN A 19 8.285 5.322 -2.143 1.00 22.40 O ATOM 258 CB ASN A 19 8.800 5.856 0.818 1.00 53.10 C ATOM 259 CG ASN A 19 10.184 6.030 1.411 1.00 3.44 C ATOM 260 OD1 ASN A 19 11.209 5.847 0.587 1.00 12.02 O flip ATOM 261 ND2 ASN A 19 10.331 6.327 2.597 1.00 73.44 N flip ATOM 0 H ASN A 19 10.468 3.694 0.705 1.00 22.33 H new ATOM 0 HA ASN A 19 7.600 4.199 0.158 1.00 11.30 H new ATOM 0 HB2 ASN A 19 8.602 6.670 0.121 1.00 53.10 H new ATOM 0 HB3 ASN A 19 8.056 5.927 1.611 1.00 53.10 H new ATOM 0 HD21 ASN A 19 9.515 6.458 3.195 1.00 73.44 H new ATOM 0 HD22 ASN A 19 11.269 6.442 2.982 1.00 73.44 H new ATOM 268 N VAL A 20 10.130 4.088 -1.772 1.00 71.40 N ATOM 269 CA VAL A 20 10.591 4.163 -3.153 1.00 61.42 C ATOM 270 C VAL A 20 10.601 2.784 -3.805 1.00 11.51 C ATOM 271 O VAL A 20 10.357 1.773 -3.147 1.00 22.42 O ATOM 272 CB VAL A 20 12.004 4.770 -3.241 1.00 53.10 C ATOM 273 CG1 VAL A 20 11.986 6.228 -2.807 1.00 24.34 C ATOM 274 CG2 VAL A 20 12.982 3.966 -2.399 1.00 24.32 C ATOM 0 H VAL A 20 10.738 3.553 -1.153 1.00 71.40 H new ATOM 0 HA VAL A 20 9.892 4.809 -3.685 1.00 61.42 H new ATOM 0 HB VAL A 20 12.335 4.729 -4.279 1.00 53.10 H new ATOM 0 HG11 VAL A 20 12.993 6.640 -2.876 1.00 24.34 H new ATOM 0 HG12 VAL A 20 11.317 6.793 -3.457 1.00 24.34 H new ATOM 0 HG13 VAL A 20 11.635 6.297 -1.777 1.00 24.34 H new ATOM 0 HG21 VAL A 20 13.975 4.409 -2.473 1.00 24.32 H new ATOM 0 HG22 VAL A 20 12.658 3.973 -1.358 1.00 24.32 H new ATOM 0 HG23 VAL A 20 13.015 2.939 -2.761 1.00 24.32 H new ATOM 284 N CYS A 21 10.885 2.752 -5.103 1.00 33.24 N ATOM 285 CA CYS A 21 10.927 1.498 -5.845 1.00 71.03 C ATOM 286 C CYS A 21 11.773 1.641 -7.107 1.00 2.30 C ATOM 287 O CYS A 21 11.739 2.674 -7.777 1.00 31.33 O ATOM 288 CB CYS A 21 9.511 1.052 -6.216 1.00 12.53 C ATOM 289 SG CYS A 21 8.482 2.371 -6.938 1.00 73.30 S ATOM 0 H CYS A 21 11.089 3.580 -5.662 1.00 33.24 H new ATOM 0 HA CYS A 21 11.383 0.742 -5.206 1.00 71.03 H new ATOM 0 HB2 CYS A 21 9.575 0.227 -6.925 1.00 12.53 H new ATOM 0 HB3 CYS A 21 9.017 0.668 -5.324 1.00 12.53 H new ATOM 294 N VAL A 22 12.532 0.598 -7.425 1.00 64.34 N ATOM 295 CA VAL A 22 13.387 0.606 -8.607 1.00 33.11 C ATOM 296 C VAL A 22 13.269 -0.703 -9.379 1.00 61.31 C ATOM 297 O VAL A 22 13.219 -1.783 -8.789 1.00 2.25 O ATOM 298 CB VAL A 22 14.862 0.837 -8.231 1.00 24.41 C ATOM 299 CG1 VAL A 22 15.781 0.270 -9.302 1.00 45.14 C ATOM 300 CG2 VAL A 22 15.131 2.318 -8.015 1.00 43.20 C ATOM 0 H VAL A 22 12.573 -0.264 -6.881 1.00 64.34 H new ATOM 0 HA VAL A 22 13.048 1.428 -9.238 1.00 33.11 H new ATOM 0 HB VAL A 22 15.067 0.314 -7.297 1.00 24.41 H new ATOM 0 HG11 VAL A 22 16.819 0.443 -9.019 1.00 45.14 H new ATOM 0 HG12 VAL A 22 15.605 -0.801 -9.402 1.00 45.14 H new ATOM 0 HG13 VAL A 22 15.578 0.762 -10.253 1.00 45.14 H new ATOM 0 HG21 VAL A 22 16.178 2.463 -7.750 1.00 43.20 H new ATOM 0 HG22 VAL A 22 14.910 2.865 -8.931 1.00 43.20 H new ATOM 0 HG23 VAL A 22 14.498 2.689 -7.209 1.00 43.20 H new ATOM 310 N HIS A 23 13.226 -0.601 -10.704 1.00 14.12 N ATOM 311 CA HIS A 23 13.115 -1.778 -11.558 1.00 40.34 C ATOM 312 C HIS A 23 14.243 -1.812 -12.585 1.00 3.31 C ATOM 313 O HIS A 23 14.330 -0.945 -13.455 1.00 5.11 O ATOM 314 CB HIS A 23 11.762 -1.792 -12.270 1.00 12.01 C ATOM 315 CG HIS A 23 11.649 -2.853 -13.321 1.00 42.55 C ATOM 316 ND1 HIS A 23 12.306 -4.027 -13.468 1.00 12.43 N flip ATOM 317 CD2 HIS A 23 10.778 -2.767 -14.387 1.00 72.02 C flip ATOM 318 CE1 HIS A 23 11.823 -4.624 -14.607 1.00 61.13 C flip ATOM 319 NE2 HIS A 23 10.902 -3.843 -15.142 1.00 44.20 N flip ATOM 0 H HIS A 23 13.266 0.284 -11.209 1.00 14.12 H new ATOM 0 HA HIS A 23 13.194 -2.663 -10.927 1.00 40.34 H new ATOM 0 HB2 HIS A 23 10.974 -1.938 -11.532 1.00 12.01 H new ATOM 0 HB3 HIS A 23 11.592 -0.818 -12.729 1.00 12.01 H new ATOM 0 HD2 HIS A 23 10.100 -1.947 -14.575 1.00 72.02 H new ATOM 0 HE1 HIS A 23 12.144 -5.577 -15.001 1.00 61.13 H new ATOM 0 HE2 HIS A 23 10.376 -4.038 -15.994 1.00 44.20 H new ATOM 327 N TYR A 24 15.105 -2.817 -12.477 1.00 13.03 N ATOM 328 CA TYR A 24 16.229 -2.962 -13.393 1.00 43.24 C ATOM 329 C TYR A 24 15.948 -4.041 -14.435 1.00 12.42 C ATOM 330 O TYR A 24 15.808 -5.218 -14.105 1.00 22.55 O ATOM 331 CB TYR A 24 17.504 -3.304 -12.620 1.00 71.01 C ATOM 332 CG TYR A 24 18.758 -3.246 -13.463 1.00 74.22 C ATOM 333 CD1 TYR A 24 19.027 -4.226 -14.411 1.00 3.13 C ATOM 334 CD2 TYR A 24 19.672 -2.211 -13.313 1.00 2.11 C ATOM 335 CE1 TYR A 24 20.172 -4.177 -15.182 1.00 71.45 C ATOM 336 CE2 TYR A 24 20.819 -2.153 -14.081 1.00 73.55 C ATOM 337 CZ TYR A 24 21.064 -3.139 -15.014 1.00 64.24 C ATOM 338 OH TYR A 24 22.205 -3.086 -15.782 1.00 60.54 O ATOM 0 H TYR A 24 15.046 -3.544 -11.763 1.00 13.03 H new ATOM 0 HA TYR A 24 16.368 -2.012 -13.909 1.00 43.24 H new ATOM 0 HB2 TYR A 24 17.607 -2.614 -11.783 1.00 71.01 H new ATOM 0 HB3 TYR A 24 17.406 -4.304 -12.198 1.00 71.01 H new ATOM 0 HD1 TYR A 24 18.329 -5.039 -14.547 1.00 3.13 H new ATOM 0 HD2 TYR A 24 19.483 -1.438 -12.583 1.00 2.11 H new ATOM 0 HE1 TYR A 24 20.368 -4.948 -15.913 1.00 71.45 H new ATOM 0 HE2 TYR A 24 21.519 -1.341 -13.952 1.00 73.55 H new ATOM 0 HH TYR A 24 22.726 -2.292 -15.540 1.00 60.54 H new ATOM 348 N LYS A 25 15.866 -3.629 -15.696 1.00 22.54 N ATOM 349 CA LYS A 25 15.604 -4.558 -16.788 1.00 75.44 C ATOM 350 C LYS A 25 16.661 -4.428 -17.879 1.00 64.15 C ATOM 351 O LYS A 25 16.777 -3.386 -18.524 1.00 2.54 O ATOM 352 CB LYS A 25 14.214 -4.305 -17.378 1.00 20.14 C ATOM 353 CG LYS A 25 13.577 -5.542 -17.987 1.00 43.24 C ATOM 354 CD LYS A 25 13.998 -5.729 -19.436 1.00 32.15 C ATOM 355 CE LYS A 25 13.953 -7.194 -19.844 1.00 4.41 C ATOM 356 NZ LYS A 25 14.591 -7.419 -21.171 1.00 13.02 N ATOM 0 H LYS A 25 15.977 -2.658 -15.986 1.00 22.54 H new ATOM 0 HA LYS A 25 15.644 -5.571 -16.387 1.00 75.44 H new ATOM 0 HB2 LYS A 25 13.561 -3.918 -16.595 1.00 20.14 H new ATOM 0 HB3 LYS A 25 14.288 -3.531 -18.142 1.00 20.14 H new ATOM 0 HG2 LYS A 25 13.861 -6.421 -17.408 1.00 43.24 H new ATOM 0 HG3 LYS A 25 12.492 -5.459 -17.930 1.00 43.24 H new ATOM 0 HD2 LYS A 25 13.341 -5.149 -20.085 1.00 32.15 H new ATOM 0 HD3 LYS A 25 15.007 -5.342 -19.576 1.00 32.15 H new ATOM 0 HE2 LYS A 25 14.460 -7.797 -19.090 1.00 4.41 H new ATOM 0 HE3 LYS A 25 12.917 -7.530 -19.877 1.00 4.41 H new ATOM 0 HZ1 LYS A 25 14.540 -8.429 -21.414 1.00 13.02 H new ATOM 0 HZ2 LYS A 25 14.092 -6.863 -21.895 1.00 13.02 H new ATOM 0 HZ3 LYS A 25 15.587 -7.122 -21.132 1.00 13.02 H new ATOM 370 N SER A 26 17.430 -5.493 -18.082 1.00 61.34 N ATOM 371 CA SER A 26 18.480 -5.497 -19.094 1.00 41.43 C ATOM 372 C SER A 26 18.441 -6.784 -19.913 1.00 5.41 C ATOM 373 O SER A 26 17.867 -7.785 -19.487 1.00 40.11 O ATOM 374 CB SER A 26 19.852 -5.338 -18.437 1.00 22.25 C ATOM 375 OG SER A 26 20.088 -3.991 -18.066 1.00 52.34 O ATOM 0 H SER A 26 17.346 -6.365 -17.559 1.00 61.34 H new ATOM 0 HA SER A 26 18.307 -4.655 -19.765 1.00 41.43 H new ATOM 0 HB2 SER A 26 19.913 -5.977 -17.556 1.00 22.25 H new ATOM 0 HB3 SER A 26 20.629 -5.670 -19.126 1.00 22.25 H new ATOM 0 HG SER A 26 19.766 -3.842 -17.152 1.00 52.34 H new ATOM 381 N GLU A 27 19.057 -6.747 -21.090 1.00 65.34 N ATOM 382 CA GLU A 27 19.093 -7.910 -21.969 1.00 71.24 C ATOM 383 C GLU A 27 20.082 -8.952 -21.454 1.00 14.02 C ATOM 384 O GLU A 27 20.071 -10.103 -21.890 1.00 74.12 O ATOM 385 CB GLU A 27 19.472 -7.491 -23.391 1.00 71.14 C ATOM 386 CG GLU A 27 20.936 -7.116 -23.545 1.00 63.24 C ATOM 387 CD GLU A 27 21.217 -6.380 -24.841 1.00 71.22 C ATOM 388 OE1 GLU A 27 20.406 -6.505 -25.783 1.00 24.42 O ATOM 389 OE2 GLU A 27 22.248 -5.679 -24.913 1.00 54.40 O ATOM 0 H GLU A 27 19.537 -5.925 -21.457 1.00 65.34 H new ATOM 0 HA GLU A 27 18.098 -8.354 -21.981 1.00 71.24 H new ATOM 0 HB2 GLU A 27 19.241 -8.308 -24.075 1.00 71.14 H new ATOM 0 HB3 GLU A 27 18.855 -6.643 -23.687 1.00 71.14 H new ATOM 0 HG2 GLU A 27 21.237 -6.491 -22.704 1.00 63.24 H new ATOM 0 HG3 GLU A 27 21.545 -8.019 -23.505 1.00 63.24 H new ATOM 396 N ASP A 28 20.935 -8.539 -20.523 1.00 62.25 N ATOM 397 CA ASP A 28 21.931 -9.436 -19.947 1.00 53.33 C ATOM 398 C ASP A 28 21.506 -9.898 -18.557 1.00 75.32 C ATOM 399 O ASP A 28 21.922 -10.958 -18.092 1.00 23.34 O ATOM 400 CB ASP A 28 23.291 -8.741 -19.873 1.00 64.34 C ATOM 401 CG ASP A 28 24.438 -9.679 -20.197 1.00 41.30 C ATOM 402 OD1 ASP A 28 24.286 -10.899 -19.978 1.00 43.45 O ATOM 403 OD2 ASP A 28 25.488 -9.192 -20.668 1.00 73.31 O ATOM 0 H ASP A 28 20.957 -7.589 -20.151 1.00 62.25 H new ATOM 0 HA ASP A 28 22.013 -10.311 -20.592 1.00 53.33 H new ATOM 0 HB2 ASP A 28 23.305 -7.901 -20.567 1.00 64.34 H new ATOM 0 HB3 ASP A 28 23.432 -8.330 -18.873 1.00 64.34 H new ATOM 408 N GLU A 29 20.675 -9.095 -17.900 1.00 73.10 N ATOM 409 CA GLU A 29 20.195 -9.422 -16.562 1.00 64.23 C ATOM 410 C GLU A 29 18.923 -8.646 -16.235 1.00 72.14 C ATOM 411 O GLU A 29 18.574 -7.689 -16.925 1.00 53.21 O ATOM 412 CB GLU A 29 21.274 -9.116 -15.521 1.00 60.50 C ATOM 413 CG GLU A 29 21.491 -7.631 -15.287 1.00 53.23 C ATOM 414 CD GLU A 29 22.914 -7.306 -14.878 1.00 63.13 C ATOM 415 OE1 GLU A 29 23.578 -8.187 -14.292 1.00 13.35 O ATOM 416 OE2 GLU A 29 23.365 -6.172 -15.144 1.00 73.43 O ATOM 0 H GLU A 29 20.320 -8.214 -18.272 1.00 73.10 H new ATOM 0 HA GLU A 29 19.966 -10.487 -16.536 1.00 64.23 H new ATOM 0 HB2 GLU A 29 21.000 -9.588 -14.577 1.00 60.50 H new ATOM 0 HB3 GLU A 29 22.214 -9.566 -15.841 1.00 60.50 H new ATOM 0 HG2 GLU A 29 21.245 -7.084 -16.197 1.00 53.23 H new ATOM 0 HG3 GLU A 29 20.807 -7.285 -14.512 1.00 53.23 H new ATOM 423 N GLU A 30 18.235 -9.068 -15.179 1.00 55.50 N ATOM 424 CA GLU A 30 17.000 -8.413 -14.762 1.00 1.13 C ATOM 425 C GLU A 30 16.723 -8.667 -13.283 1.00 13.12 C ATOM 426 O GLU A 30 16.659 -9.814 -12.840 1.00 75.02 O ATOM 427 CB GLU A 30 15.824 -8.909 -15.605 1.00 54.41 C ATOM 428 CG GLU A 30 14.506 -8.230 -15.270 1.00 31.42 C ATOM 429 CD GLU A 30 13.392 -8.617 -16.223 1.00 13.21 C ATOM 430 OE1 GLU A 30 13.576 -9.587 -16.988 1.00 10.12 O ATOM 431 OE2 GLU A 30 12.336 -7.950 -16.205 1.00 3.25 O ATOM 0 H GLU A 30 18.511 -9.859 -14.597 1.00 55.50 H new ATOM 0 HA GLU A 30 17.118 -7.340 -14.913 1.00 1.13 H new ATOM 0 HB2 GLU A 30 16.049 -8.746 -16.659 1.00 54.41 H new ATOM 0 HB3 GLU A 30 15.715 -9.984 -15.465 1.00 54.41 H new ATOM 0 HG2 GLU A 30 14.216 -8.491 -14.252 1.00 31.42 H new ATOM 0 HG3 GLU A 30 14.642 -7.149 -15.296 1.00 31.42 H new ATOM 438 N TYR A 31 16.560 -7.589 -12.524 1.00 53.21 N ATOM 439 CA TYR A 31 16.292 -7.694 -11.095 1.00 2.44 C ATOM 440 C TYR A 31 15.590 -6.441 -10.579 1.00 30.44 C ATOM 441 O TYR A 31 15.599 -5.397 -11.230 1.00 55.30 O ATOM 442 CB TYR A 31 17.596 -7.914 -10.325 1.00 72.44 C ATOM 443 CG TYR A 31 18.564 -6.758 -10.431 1.00 23.22 C ATOM 444 CD1 TYR A 31 18.397 -5.613 -9.662 1.00 33.32 C ATOM 445 CD2 TYR A 31 19.648 -6.811 -11.299 1.00 70.30 C ATOM 446 CE1 TYR A 31 19.279 -4.554 -9.756 1.00 32.44 C ATOM 447 CE2 TYR A 31 20.536 -5.758 -11.398 1.00 40.33 C ATOM 448 CZ TYR A 31 20.347 -4.631 -10.625 1.00 31.31 C ATOM 449 OH TYR A 31 21.229 -3.579 -10.720 1.00 73.22 O ATOM 0 H TYR A 31 16.609 -6.632 -12.875 1.00 53.21 H new ATOM 0 HA TYR A 31 15.635 -8.549 -10.936 1.00 2.44 H new ATOM 0 HB2 TYR A 31 17.363 -8.087 -9.274 1.00 72.44 H new ATOM 0 HB3 TYR A 31 18.080 -8.817 -10.697 1.00 72.44 H new ATOM 0 HD1 TYR A 31 17.563 -5.550 -8.979 1.00 33.32 H new ATOM 0 HD2 TYR A 31 19.799 -7.691 -11.907 1.00 70.30 H new ATOM 0 HE1 TYR A 31 19.133 -3.671 -9.152 1.00 32.44 H new ATOM 0 HE2 TYR A 31 21.374 -5.816 -12.077 1.00 40.33 H new ATOM 0 HH TYR A 31 20.964 -2.996 -11.462 1.00 73.22 H new ATOM 459 N LYS A 32 14.982 -6.554 -9.402 1.00 62.24 N ATOM 460 CA LYS A 32 14.276 -5.433 -8.795 1.00 11.41 C ATOM 461 C LYS A 32 14.553 -5.362 -7.297 1.00 23.13 C ATOM 462 O LYS A 32 14.497 -6.373 -6.597 1.00 64.42 O ATOM 463 CB LYS A 32 12.771 -5.558 -9.040 1.00 74.02 C ATOM 464 CG LYS A 32 12.367 -5.315 -10.484 1.00 43.13 C ATOM 465 CD LYS A 32 11.201 -6.198 -10.894 1.00 33.22 C ATOM 466 CE LYS A 32 11.673 -7.572 -11.345 1.00 1.22 C ATOM 467 NZ LYS A 32 12.131 -7.563 -12.762 1.00 24.13 N ATOM 0 H LYS A 32 14.965 -7.412 -8.850 1.00 62.24 H new ATOM 0 HA LYS A 32 14.638 -4.515 -9.258 1.00 11.41 H new ATOM 0 HB2 LYS A 32 12.445 -6.555 -8.743 1.00 74.02 H new ATOM 0 HB3 LYS A 32 12.247 -4.848 -8.401 1.00 74.02 H new ATOM 0 HG2 LYS A 32 12.095 -4.268 -10.615 1.00 43.13 H new ATOM 0 HG3 LYS A 32 13.218 -5.508 -11.138 1.00 43.13 H new ATOM 0 HD2 LYS A 32 10.513 -6.306 -10.056 1.00 33.22 H new ATOM 0 HD3 LYS A 32 10.647 -5.719 -11.702 1.00 33.22 H new ATOM 0 HE2 LYS A 32 12.488 -7.905 -10.702 1.00 1.22 H new ATOM 0 HE3 LYS A 32 10.862 -8.291 -11.230 1.00 1.22 H new ATOM 0 HZ1 LYS A 32 12.413 -8.524 -13.042 1.00 24.13 H new ATOM 0 HZ2 LYS A 32 11.357 -7.237 -13.375 1.00 24.13 H new ATOM 0 HZ3 LYS A 32 12.944 -6.922 -12.860 1.00 24.13 H new ATOM 481 N SER A 33 14.851 -4.161 -6.810 1.00 61.44 N ATOM 482 CA SER A 33 15.139 -3.960 -5.395 1.00 43.22 C ATOM 483 C SER A 33 15.139 -2.474 -5.047 1.00 20.40 C ATOM 484 O SER A 33 15.558 -1.637 -5.847 1.00 32.02 O ATOM 485 CB SER A 33 16.491 -4.579 -5.035 1.00 71.40 C ATOM 486 OG SER A 33 17.554 -3.687 -5.322 1.00 33.01 O ATOM 0 H SER A 33 14.899 -3.313 -7.375 1.00 61.44 H new ATOM 0 HA SER A 33 14.357 -4.452 -4.817 1.00 43.22 H new ATOM 0 HB2 SER A 33 16.505 -4.838 -3.976 1.00 71.40 H new ATOM 0 HB3 SER A 33 16.630 -5.506 -5.592 1.00 71.40 H new ATOM 0 HG SER A 33 18.407 -4.106 -5.081 1.00 33.01 H new ATOM 492 N CYS A 34 14.666 -2.155 -3.847 1.00 52.42 N ATOM 493 CA CYS A 34 14.609 -0.771 -3.391 1.00 23.23 C ATOM 494 C CYS A 34 14.010 -0.685 -1.990 1.00 54.52 C ATOM 495 O CYS A 34 13.830 -1.698 -1.316 1.00 62.14 O ATOM 496 CB CYS A 34 13.786 0.076 -4.363 1.00 60.43 C ATOM 497 SG CYS A 34 14.531 1.691 -4.757 1.00 70.45 S ATOM 0 H CYS A 34 14.317 -2.836 -3.173 1.00 52.42 H new ATOM 0 HA CYS A 34 15.627 -0.384 -3.357 1.00 23.23 H new ATOM 0 HB2 CYS A 34 13.647 -0.484 -5.288 1.00 60.43 H new ATOM 0 HB3 CYS A 34 12.796 0.239 -3.938 1.00 60.43 H new ATOM 0 HG CYS A 34 15.733 1.747 -4.264 1.00 70.45 H new ATOM 502 N GLY A 35 13.701 0.535 -1.559 1.00 21.23 N ATOM 503 CA GLY A 35 13.125 0.732 -0.242 1.00 32.25 C ATOM 504 C GLY A 35 13.105 2.190 0.170 1.00 11.53 C ATOM 505 O GLY A 35 12.071 2.854 0.079 1.00 25.24 O ATOM 0 H GLY A 35 13.839 1.389 -2.099 1.00 21.23 H new ATOM 0 HA2 GLY A 35 12.108 0.341 -0.232 1.00 32.25 H new ATOM 0 HA3 GLY A 35 13.694 0.159 0.490 1.00 32.25 H new ATOM 509 N ILE A 36 14.249 2.691 0.626 1.00 74.42 N ATOM 510 CA ILE A 36 14.358 4.080 1.054 1.00 73.34 C ATOM 511 C ILE A 36 15.134 4.909 0.036 1.00 30.02 C ATOM 512 O ILE A 36 16.164 4.473 -0.477 1.00 73.15 O ATOM 513 CB ILE A 36 15.048 4.194 2.426 1.00 72.33 C ATOM 514 CG1 ILE A 36 16.272 3.278 2.483 1.00 63.03 C ATOM 515 CG2 ILE A 36 14.071 3.850 3.540 1.00 13.52 C ATOM 516 CD1 ILE A 36 17.057 3.397 3.770 1.00 12.45 C ATOM 0 H ILE A 36 15.113 2.155 0.708 1.00 74.42 H new ATOM 0 HA ILE A 36 13.342 4.466 1.135 1.00 73.34 H new ATOM 0 HB ILE A 36 15.380 5.223 2.565 1.00 72.33 H new ATOM 0 HG12 ILE A 36 15.948 2.245 2.359 1.00 63.03 H new ATOM 0 HG13 ILE A 36 16.928 3.510 1.644 1.00 63.03 H new ATOM 0 HG21 ILE A 36 14.573 3.935 4.504 1.00 13.52 H new ATOM 0 HG22 ILE A 36 13.227 4.539 3.509 1.00 13.52 H new ATOM 0 HG23 ILE A 36 13.712 2.829 3.407 1.00 13.52 H new ATOM 0 HD11 ILE A 36 17.910 2.719 3.740 1.00 12.45 H new ATOM 0 HD12 ILE A 36 17.411 4.421 3.887 1.00 12.45 H new ATOM 0 HD13 ILE A 36 16.416 3.137 4.612 1.00 12.45 H new ATOM 528 N GLN A 37 14.633 6.107 -0.248 1.00 63.12 N ATOM 529 CA GLN A 37 15.281 6.998 -1.204 1.00 21.24 C ATOM 530 C GLN A 37 16.765 7.151 -0.885 1.00 53.42 C ATOM 531 O GLN A 37 17.585 7.341 -1.783 1.00 32.32 O ATOM 532 CB GLN A 37 14.601 8.368 -1.197 1.00 44.11 C ATOM 533 CG GLN A 37 15.043 9.272 -2.337 1.00 71.30 C ATOM 534 CD GLN A 37 13.996 9.389 -3.428 1.00 25.04 C ATOM 535 OE1 GLN A 37 13.768 8.298 -4.149 1.00 62.04 O flip ATOM 536 NE2 GLN A 37 13.400 10.449 -3.620 1.00 35.44 N flip ATOM 0 H GLN A 37 13.782 6.483 0.170 1.00 63.12 H new ATOM 0 HA GLN A 37 15.185 6.558 -2.197 1.00 21.24 H new ATOM 0 HB2 GLN A 37 13.521 8.229 -1.252 1.00 44.11 H new ATOM 0 HB3 GLN A 37 14.810 8.864 -0.249 1.00 44.11 H new ATOM 0 HG2 GLN A 37 15.265 10.264 -1.944 1.00 71.30 H new ATOM 0 HG3 GLN A 37 15.967 8.885 -2.766 1.00 71.30 H new ATOM 0 HE21 GLN A 37 13.608 11.263 -3.041 1.00 35.44 H new ATOM 0 HE22 GLN A 37 12.699 10.513 -4.358 1.00 35.44 H new ATOM 545 N GLU A 38 17.101 7.069 0.398 1.00 22.12 N ATOM 546 CA GLU A 38 18.487 7.200 0.834 1.00 54.20 C ATOM 547 C GLU A 38 19.349 6.087 0.247 1.00 64.11 C ATOM 548 O GLU A 38 20.496 6.314 -0.138 1.00 11.23 O ATOM 549 CB GLU A 38 18.569 7.172 2.362 1.00 52.44 C ATOM 550 CG GLU A 38 18.102 8.460 3.020 1.00 63.02 C ATOM 551 CD GLU A 38 18.803 9.685 2.466 1.00 4.44 C ATOM 552 OE1 GLU A 38 20.052 9.705 2.465 1.00 51.14 O ATOM 553 OE2 GLU A 38 18.103 10.625 2.035 1.00 74.22 O ATOM 0 H GLU A 38 16.434 6.913 1.153 1.00 22.12 H new ATOM 0 HA GLU A 38 18.865 8.157 0.475 1.00 54.20 H new ATOM 0 HB2 GLU A 38 17.966 6.344 2.735 1.00 52.44 H new ATOM 0 HB3 GLU A 38 19.599 6.975 2.659 1.00 52.44 H new ATOM 0 HG2 GLU A 38 17.026 8.567 2.879 1.00 63.02 H new ATOM 0 HG3 GLU A 38 18.278 8.400 4.094 1.00 63.02 H new ATOM 560 N GLU A 39 18.789 4.883 0.182 1.00 12.24 N ATOM 561 CA GLU A 39 19.507 3.734 -0.356 1.00 45.42 C ATOM 562 C GLU A 39 19.372 3.671 -1.875 1.00 1.12 C ATOM 563 O GLU A 39 20.343 3.409 -2.586 1.00 33.33 O ATOM 564 CB GLU A 39 18.984 2.439 0.268 1.00 43.01 C ATOM 565 CG GLU A 39 19.466 2.211 1.691 1.00 53.20 C ATOM 566 CD GLU A 39 18.901 0.943 2.302 1.00 50.50 C ATOM 567 OE1 GLU A 39 18.029 0.315 1.666 1.00 2.13 O ATOM 568 OE2 GLU A 39 19.332 0.580 3.417 1.00 73.15 O ATOM 0 H GLU A 39 17.840 4.678 0.495 1.00 12.24 H new ATOM 0 HA GLU A 39 20.562 3.848 -0.107 1.00 45.42 H new ATOM 0 HB2 GLU A 39 17.894 2.456 0.261 1.00 43.01 H new ATOM 0 HB3 GLU A 39 19.293 1.597 -0.351 1.00 43.01 H new ATOM 0 HG2 GLU A 39 20.555 2.159 1.698 1.00 53.20 H new ATOM 0 HG3 GLU A 39 19.183 3.064 2.308 1.00 53.20 H new ATOM 575 N CYS A 40 18.161 3.913 -2.365 1.00 61.25 N ATOM 576 CA CYS A 40 17.896 3.883 -3.799 1.00 22.33 C ATOM 577 C CYS A 40 18.718 4.943 -4.526 1.00 60.12 C ATOM 578 O CYS A 40 19.194 4.718 -5.638 1.00 73.15 O ATOM 579 CB CYS A 40 16.406 4.103 -4.068 1.00 3.11 C ATOM 580 SG CYS A 40 15.530 2.620 -4.661 1.00 24.13 S ATOM 0 H CYS A 40 17.347 4.132 -1.790 1.00 61.25 H new ATOM 0 HA CYS A 40 18.185 2.902 -4.177 1.00 22.33 H new ATOM 0 HB2 CYS A 40 15.930 4.451 -3.151 1.00 3.11 H new ATOM 0 HB3 CYS A 40 16.294 4.897 -4.806 1.00 3.11 H new ATOM 0 HG CYS A 40 14.549 2.344 -3.854 1.00 24.13 H new ATOM 585 N GLU A 41 18.880 6.098 -3.889 1.00 1.30 N ATOM 586 CA GLU A 41 19.644 7.193 -4.476 1.00 51.00 C ATOM 587 C GLU A 41 21.105 6.796 -4.667 1.00 72.12 C ATOM 588 O GLU A 41 21.814 7.374 -5.491 1.00 74.14 O ATOM 589 CB GLU A 41 19.554 8.439 -3.592 1.00 21.41 C ATOM 590 CG GLU A 41 20.236 9.659 -4.188 1.00 21.40 C ATOM 591 CD GLU A 41 19.731 10.958 -3.592 1.00 45.41 C ATOM 592 OE1 GLU A 41 18.534 11.265 -3.768 1.00 14.32 O ATOM 593 OE2 GLU A 41 20.534 11.669 -2.951 1.00 34.43 O ATOM 0 H GLU A 41 18.493 6.300 -2.967 1.00 1.30 H new ATOM 0 HA GLU A 41 19.216 7.418 -5.453 1.00 51.00 H new ATOM 0 HB2 GLU A 41 18.504 8.672 -3.412 1.00 21.41 H new ATOM 0 HB3 GLU A 41 20.002 8.220 -2.623 1.00 21.41 H new ATOM 0 HG2 GLU A 41 21.312 9.584 -4.028 1.00 21.40 H new ATOM 0 HG3 GLU A 41 20.074 9.671 -5.266 1.00 21.40 H new ATOM 600 N ASP A 42 21.548 5.806 -3.900 1.00 10.44 N ATOM 601 CA ASP A 42 22.924 5.331 -3.984 1.00 30.22 C ATOM 602 C ASP A 42 23.299 5.005 -5.426 1.00 72.41 C ATOM 603 O ASP A 42 24.460 5.121 -5.818 1.00 33.15 O ATOM 604 CB ASP A 42 23.114 4.095 -3.103 1.00 11.24 C ATOM 605 CG ASP A 42 24.556 3.905 -2.675 1.00 51.20 C ATOM 606 OD1 ASP A 42 25.108 4.818 -2.026 1.00 11.34 O ATOM 607 OD2 ASP A 42 25.132 2.843 -2.989 1.00 43.00 O ATOM 0 H ASP A 42 20.974 5.317 -3.213 1.00 10.44 H new ATOM 0 HA ASP A 42 23.579 6.126 -3.628 1.00 30.22 H new ATOM 0 HB2 ASP A 42 22.484 4.183 -2.218 1.00 11.24 H new ATOM 0 HB3 ASP A 42 22.780 3.211 -3.646 1.00 11.24 H new ATOM 612 N ALA A 43 22.308 4.595 -6.211 1.00 61.25 N ATOM 613 CA ALA A 43 22.534 4.253 -7.610 1.00 73.33 C ATOM 614 C ALA A 43 22.890 5.490 -8.427 1.00 65.24 C ATOM 615 O ALA A 43 22.018 6.131 -9.011 1.00 51.34 O ATOM 616 CB ALA A 43 21.304 3.570 -8.192 1.00 2.44 C ATOM 0 H ALA A 43 21.341 4.492 -5.902 1.00 61.25 H new ATOM 0 HA ALA A 43 23.376 3.563 -7.658 1.00 73.33 H new ATOM 0 HB1 ALA A 43 21.487 3.320 -9.237 1.00 2.44 H new ATOM 0 HB2 ALA A 43 21.095 2.658 -7.632 1.00 2.44 H new ATOM 0 HB3 ALA A 43 20.448 4.242 -8.124 1.00 2.44 H new ATOM 622 N GLU A 44 24.178 5.819 -8.463 1.00 60.20 N ATOM 623 CA GLU A 44 24.648 6.981 -9.208 1.00 25.21 C ATOM 624 C GLU A 44 24.617 6.713 -10.710 1.00 12.51 C ATOM 625 O GLU A 44 24.842 5.590 -11.156 1.00 65.54 O ATOM 626 CB GLU A 44 26.068 7.351 -8.775 1.00 4.45 C ATOM 627 CG GLU A 44 27.116 6.332 -9.187 1.00 64.33 C ATOM 628 CD GLU A 44 28.321 6.328 -8.267 1.00 4.33 C ATOM 629 OE1 GLU A 44 28.155 6.641 -7.069 1.00 72.43 O ATOM 630 OE2 GLU A 44 29.431 6.013 -8.745 1.00 23.34 O ATOM 0 H GLU A 44 24.913 5.298 -7.986 1.00 60.20 H new ATOM 0 HA GLU A 44 23.980 7.815 -8.991 1.00 25.21 H new ATOM 0 HB2 GLU A 44 26.328 8.320 -9.202 1.00 4.45 H new ATOM 0 HB3 GLU A 44 26.090 7.464 -7.691 1.00 4.45 H new ATOM 0 HG2 GLU A 44 26.667 5.339 -9.196 1.00 64.33 H new ATOM 0 HG3 GLU A 44 27.442 6.544 -10.205 1.00 64.33 H new ATOM 637 N GLY A 45 24.334 7.756 -11.485 1.00 41.30 N ATOM 638 CA GLY A 45 24.277 7.614 -12.928 1.00 40.11 C ATOM 639 C GLY A 45 22.855 7.529 -13.447 1.00 2.35 C ATOM 640 O GLY A 45 22.549 8.038 -14.524 1.00 41.04 O ATOM 0 H GLY A 45 24.143 8.696 -11.139 1.00 41.30 H new ATOM 0 HA2 GLY A 45 24.780 8.461 -13.393 1.00 40.11 H new ATOM 0 HA3 GLY A 45 24.822 6.718 -13.224 1.00 40.11 H new ATOM 644 N ALA A 46 21.984 6.883 -12.678 1.00 44.11 N ATOM 645 CA ALA A 46 20.587 6.734 -13.066 1.00 23.41 C ATOM 646 C ALA A 46 19.662 7.402 -12.054 1.00 43.05 C ATOM 647 O ALA A 46 20.025 7.586 -10.892 1.00 12.00 O ATOM 648 CB ALA A 46 20.235 5.261 -13.213 1.00 62.32 C ATOM 0 H ALA A 46 22.221 6.455 -11.783 1.00 44.11 H new ATOM 0 HA ALA A 46 20.448 7.228 -14.028 1.00 23.41 H new ATOM 0 HB1 ALA A 46 19.189 5.164 -13.503 1.00 62.32 H new ATOM 0 HB2 ALA A 46 20.867 4.811 -13.978 1.00 62.32 H new ATOM 0 HB3 ALA A 46 20.397 4.752 -12.263 1.00 62.32 H new ATOM 654 N THR A 47 18.465 7.765 -12.504 1.00 31.10 N ATOM 655 CA THR A 47 17.488 8.415 -11.639 1.00 25.21 C ATOM 656 C THR A 47 16.475 7.410 -11.102 1.00 4.54 C ATOM 657 O THR A 47 16.045 6.505 -11.816 1.00 54.21 O ATOM 658 CB THR A 47 16.738 9.536 -12.382 1.00 1.32 C ATOM 659 OG1 THR A 47 15.947 10.292 -11.458 1.00 31.21 O ATOM 660 CG2 THR A 47 15.845 8.961 -13.470 1.00 74.21 C ATOM 0 H THR A 47 18.149 7.620 -13.463 1.00 31.10 H new ATOM 0 HA THR A 47 18.042 8.849 -10.806 1.00 25.21 H new ATOM 0 HB THR A 47 17.476 10.190 -12.848 1.00 1.32 H new ATOM 0 HG1 THR A 47 15.475 11.004 -11.938 1.00 31.21 H new ATOM 0 HG21 THR A 47 15.326 9.772 -13.981 1.00 74.21 H new ATOM 0 HG22 THR A 47 16.454 8.411 -14.188 1.00 74.21 H new ATOM 0 HG23 THR A 47 15.114 8.287 -13.023 1.00 74.21 H new ATOM 668 N VAL A 48 16.098 7.576 -9.838 1.00 15.31 N ATOM 669 CA VAL A 48 15.133 6.685 -9.205 1.00 71.22 C ATOM 670 C VAL A 48 13.762 7.343 -9.102 1.00 54.10 C ATOM 671 O VAL A 48 13.605 8.379 -8.454 1.00 42.25 O ATOM 672 CB VAL A 48 15.596 6.265 -7.797 1.00 51.14 C ATOM 673 CG1 VAL A 48 14.560 5.365 -7.141 1.00 4.13 C ATOM 674 CG2 VAL A 48 16.949 5.573 -7.866 1.00 51.23 C ATOM 0 H VAL A 48 16.446 8.319 -9.232 1.00 15.31 H new ATOM 0 HA VAL A 48 15.061 5.799 -9.835 1.00 71.22 H new ATOM 0 HB VAL A 48 15.703 7.161 -7.186 1.00 51.14 H new ATOM 0 HG11 VAL A 48 14.904 5.078 -6.147 1.00 4.13 H new ATOM 0 HG12 VAL A 48 13.614 5.900 -7.057 1.00 4.13 H new ATOM 0 HG13 VAL A 48 14.418 4.471 -7.748 1.00 4.13 H new ATOM 0 HG21 VAL A 48 17.261 5.283 -6.863 1.00 51.23 H new ATOM 0 HG22 VAL A 48 16.872 4.685 -8.493 1.00 51.23 H new ATOM 0 HG23 VAL A 48 17.685 6.255 -8.292 1.00 51.23 H new ATOM 684 N LEU A 49 12.770 6.735 -9.744 1.00 1.21 N ATOM 685 CA LEU A 49 11.410 7.262 -9.724 1.00 73.34 C ATOM 686 C LEU A 49 10.415 6.185 -9.302 1.00 2.25 C ATOM 687 O LEU A 49 10.480 5.047 -9.767 1.00 42.25 O ATOM 688 CB LEU A 49 11.033 7.807 -11.103 1.00 60.11 C ATOM 689 CG LEU A 49 10.036 8.966 -11.117 1.00 32.00 C ATOM 690 CD1 LEU A 49 10.766 10.299 -11.068 1.00 41.02 C ATOM 691 CD2 LEU A 49 9.145 8.888 -12.348 1.00 41.53 C ATOM 0 H LEU A 49 12.882 5.877 -10.284 1.00 1.21 H new ATOM 0 HA LEU A 49 11.371 8.072 -8.996 1.00 73.34 H new ATOM 0 HB2 LEU A 49 11.944 8.132 -11.605 1.00 60.11 H new ATOM 0 HB3 LEU A 49 10.618 6.990 -11.693 1.00 60.11 H new ATOM 0 HG LEU A 49 9.405 8.888 -10.231 1.00 32.00 H new ATOM 0 HD11 LEU A 49 10.040 11.112 -11.079 1.00 41.02 H new ATOM 0 HD12 LEU A 49 11.360 10.355 -10.156 1.00 41.02 H new ATOM 0 HD13 LEU A 49 11.422 10.387 -11.934 1.00 41.02 H new ATOM 0 HD21 LEU A 49 8.442 9.721 -12.341 1.00 41.53 H new ATOM 0 HD22 LEU A 49 9.760 8.940 -13.246 1.00 41.53 H new ATOM 0 HD23 LEU A 49 8.594 7.948 -12.339 1.00 41.53 H new ATOM 703 N CYS A 50 9.494 6.553 -8.417 1.00 72.34 N ATOM 704 CA CYS A 50 8.484 5.620 -7.932 1.00 53.04 C ATOM 705 C CYS A 50 7.079 6.171 -8.162 1.00 44.13 C ATOM 706 O CYS A 50 6.864 7.383 -8.137 1.00 2.21 O ATOM 707 CB CYS A 50 8.695 5.336 -6.444 1.00 34.01 C ATOM 708 SG CYS A 50 7.938 3.782 -5.869 1.00 32.10 S ATOM 0 H CYS A 50 9.427 7.491 -8.021 1.00 72.34 H new ATOM 0 HA CYS A 50 8.586 4.690 -8.491 1.00 53.04 H new ATOM 0 HB2 CYS A 50 9.765 5.304 -6.239 1.00 34.01 H new ATOM 0 HB3 CYS A 50 8.285 6.164 -5.865 1.00 34.01 H new ATOM 713 N CYS A 51 6.127 5.272 -8.387 1.00 13.45 N ATOM 714 CA CYS A 51 4.743 5.667 -8.621 1.00 71.43 C ATOM 715 C CYS A 51 3.908 5.503 -7.354 1.00 62.23 C ATOM 716 O CYS A 51 4.183 4.654 -6.505 1.00 52.34 O ATOM 717 CB CYS A 51 4.139 4.835 -9.754 1.00 72.52 C ATOM 718 SG CYS A 51 5.313 4.429 -11.086 1.00 61.25 S ATOM 0 H CYS A 51 6.288 4.265 -8.412 1.00 13.45 H new ATOM 0 HA CYS A 51 4.735 6.719 -8.906 1.00 71.43 H new ATOM 0 HB2 CYS A 51 3.743 3.908 -9.339 1.00 72.52 H new ATOM 0 HB3 CYS A 51 3.296 5.379 -10.180 1.00 72.52 H new ATOM 723 N PRO A 52 2.864 6.334 -7.222 1.00 73.24 N ATOM 724 CA PRO A 52 1.967 6.300 -6.063 1.00 40.52 C ATOM 725 C PRO A 52 1.099 5.047 -6.038 1.00 15.40 C ATOM 726 O PRO A 52 0.402 4.784 -5.058 1.00 42.13 O ATOM 727 CB PRO A 52 1.100 7.548 -6.249 1.00 41.34 C ATOM 728 CG PRO A 52 1.121 7.809 -7.716 1.00 63.21 C ATOM 729 CD PRO A 52 2.477 7.370 -8.195 1.00 63.41 C ATOM 0 HA PRO A 52 2.517 6.283 -5.122 1.00 40.52 H new ATOM 0 HB2 PRO A 52 0.084 7.381 -5.891 1.00 41.34 H new ATOM 0 HB3 PRO A 52 1.500 8.394 -5.691 1.00 41.34 H new ATOM 0 HG2 PRO A 52 0.330 7.255 -8.222 1.00 63.21 H new ATOM 0 HG3 PRO A 52 0.956 8.866 -7.927 1.00 63.21 H new ATOM 0 HD2 PRO A 52 2.436 6.973 -9.209 1.00 63.41 H new ATOM 0 HD3 PRO A 52 3.187 8.197 -8.205 1.00 63.41 H new ATOM 737 N GLU A 53 1.146 4.278 -7.121 1.00 54.23 N ATOM 738 CA GLU A 53 0.362 3.053 -7.222 1.00 31.32 C ATOM 739 C GLU A 53 1.154 1.856 -6.702 1.00 52.32 C ATOM 740 O GLU A 53 2.287 2.000 -6.244 1.00 2.45 O ATOM 741 CB GLU A 53 -0.060 2.808 -8.672 1.00 43.12 C ATOM 742 CG GLU A 53 -1.279 3.611 -9.095 1.00 65.34 C ATOM 743 CD GLU A 53 -1.002 5.100 -9.162 1.00 11.15 C ATOM 744 OE1 GLU A 53 -0.288 5.530 -10.092 1.00 74.31 O ATOM 745 OE2 GLU A 53 -1.499 5.836 -8.283 1.00 63.14 O ATOM 0 H GLU A 53 1.718 4.482 -7.940 1.00 54.23 H new ATOM 0 HA GLU A 53 -0.530 3.172 -6.607 1.00 31.32 H new ATOM 0 HB2 GLU A 53 0.773 3.054 -9.331 1.00 43.12 H new ATOM 0 HB3 GLU A 53 -0.270 1.747 -8.806 1.00 43.12 H new ATOM 0 HG2 GLU A 53 -1.617 3.264 -10.071 1.00 65.34 H new ATOM 0 HG3 GLU A 53 -2.092 3.428 -8.392 1.00 65.34 H new ATOM 752 N ASP A 54 0.548 0.676 -6.777 1.00 44.20 N ATOM 753 CA ASP A 54 1.196 -0.546 -6.315 1.00 61.01 C ATOM 754 C ASP A 54 1.818 -1.306 -7.482 1.00 44.24 C ATOM 755 O ASP A 54 1.263 -1.340 -8.581 1.00 70.43 O ATOM 756 CB ASP A 54 0.189 -1.439 -5.588 1.00 41.32 C ATOM 757 CG ASP A 54 -1.131 -1.543 -6.326 1.00 40.34 C ATOM 758 OD1 ASP A 54 -1.189 -2.270 -7.340 1.00 64.12 O ATOM 759 OD2 ASP A 54 -2.107 -0.897 -5.890 1.00 22.51 O ATOM 0 H ASP A 54 -0.390 0.540 -7.153 1.00 44.20 H new ATOM 0 HA ASP A 54 1.990 -0.267 -5.622 1.00 61.01 H new ATOM 0 HB2 ASP A 54 0.613 -2.436 -5.466 1.00 41.32 H new ATOM 0 HB3 ASP A 54 0.013 -1.043 -4.588 1.00 41.32 H new ATOM 764 N LEU A 55 2.974 -1.913 -7.237 1.00 44.44 N ATOM 765 CA LEU A 55 3.674 -2.672 -8.269 1.00 13.45 C ATOM 766 C LEU A 55 4.011 -1.785 -9.463 1.00 5.33 C ATOM 767 O LEU A 55 3.530 -2.010 -10.573 1.00 72.43 O ATOM 768 CB LEU A 55 2.821 -3.857 -8.724 1.00 55.31 C ATOM 769 CG LEU A 55 2.420 -4.853 -7.636 1.00 21.24 C ATOM 770 CD1 LEU A 55 1.720 -6.058 -8.246 1.00 3.32 C ATOM 771 CD2 LEU A 55 3.640 -5.290 -6.838 1.00 21.41 C ATOM 0 H LEU A 55 3.447 -1.895 -6.333 1.00 44.44 H new ATOM 0 HA LEU A 55 4.605 -3.045 -7.843 1.00 13.45 H new ATOM 0 HB2 LEU A 55 1.913 -3.469 -9.186 1.00 55.31 H new ATOM 0 HB3 LEU A 55 3.367 -4.396 -9.498 1.00 55.31 H new ATOM 0 HG LEU A 55 1.724 -4.360 -6.958 1.00 21.24 H new ATOM 0 HD11 LEU A 55 1.442 -6.756 -7.456 1.00 3.32 H new ATOM 0 HD12 LEU A 55 0.824 -5.730 -8.772 1.00 3.32 H new ATOM 0 HD13 LEU A 55 2.392 -6.553 -8.947 1.00 3.32 H new ATOM 0 HD21 LEU A 55 3.336 -5.999 -6.068 1.00 21.41 H new ATOM 0 HD22 LEU A 55 4.360 -5.765 -7.505 1.00 21.41 H new ATOM 0 HD23 LEU A 55 4.099 -4.420 -6.369 1.00 21.41 H new ATOM 783 N CYS A 56 4.844 -0.776 -9.227 1.00 61.23 N ATOM 784 CA CYS A 56 5.249 0.144 -10.283 1.00 12.31 C ATOM 785 C CYS A 56 6.639 -0.205 -10.806 1.00 3.15 C ATOM 786 O CYS A 56 7.017 0.192 -11.907 1.00 21.20 O ATOM 787 CB CYS A 56 5.233 1.584 -9.766 1.00 52.34 C ATOM 788 SG CYS A 56 5.721 2.825 -11.008 1.00 25.13 S ATOM 0 H CYS A 56 5.251 -0.575 -8.314 1.00 61.23 H new ATOM 0 HA CYS A 56 4.538 0.051 -11.104 1.00 12.31 H new ATOM 0 HB2 CYS A 56 4.231 1.819 -9.407 1.00 52.34 H new ATOM 0 HB3 CYS A 56 5.904 1.659 -8.910 1.00 52.34 H new ATOM 793 N ASN A 57 7.396 -0.950 -10.006 1.00 72.33 N ATOM 794 CA ASN A 57 8.745 -1.353 -10.388 1.00 34.04 C ATOM 795 C ASN A 57 8.794 -2.840 -10.724 1.00 34.42 C ATOM 796 O ASN A 57 7.908 -3.363 -11.399 1.00 73.33 O ATOM 797 CB ASN A 57 9.730 -1.041 -9.260 1.00 5.20 C ATOM 798 CG ASN A 57 9.569 -1.974 -8.076 1.00 32.13 C ATOM 799 OD1 ASN A 57 8.480 -2.101 -7.515 1.00 40.12 O ATOM 800 ND2 ASN A 57 10.655 -2.633 -7.689 1.00 41.22 N ATOM 0 H ASN A 57 7.098 -1.286 -9.090 1.00 72.33 H new ATOM 0 HA ASN A 57 9.029 -0.789 -11.276 1.00 34.04 H new ATOM 0 HB2 ASN A 57 10.749 -1.114 -9.641 1.00 5.20 H new ATOM 0 HB3 ASN A 57 9.586 -0.012 -8.930 1.00 5.20 H new ATOM 0 HD21 ASN A 57 10.607 -3.275 -6.898 1.00 41.22 H new ATOM 0 HD22 ASN A 57 11.537 -2.497 -8.183 1.00 41.22 H new