USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 844 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 9 SER OG : rot 78:sc= 0.0884 USER MOD Set 1.2: A 59 SER OG : rot 71:sc= 0.0876 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 12 LYS NZ :NH3+ 177:sc= 0.29 (180deg=0.282) USER MOD Single : A 13 LYS NZ :NH3+ 178:sc= 0.0975 (180deg=0.0962) USER MOD Single : A 20 LYS NZ :NH3+ -107:sc= 1.01 (180deg=-0.0182) USER MOD Single : A 21 MET CE :methyl -150:sc= -0.195 (180deg=-1.25) USER MOD Single : A 24 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0136) USER MOD Single : A 26 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.24) USER MOD Single : A 31 THR OG1 : rot 32:sc= 0.211 USER MOD Single : A 33 LYS NZ :NH3+ -106:sc= 0.988 (180deg=-0.086) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -132:sc= 0.00638 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 163:sc= 0.367 (180deg=0.162) USER MOD Single : A 41 TYR OH : rot -170:sc= 0.9 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -85:sc= 0.779 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -178:sc= 0.377 (180deg=0.375) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0.156 X(o=0.16,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -166:sc= -0.0372 (180deg=-0.24) USER MOD Single : A 74 MET CE :methyl 172:sc= -0.0455 (180deg=-0.0811) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -174:sc= 0.48 (180deg=0.465) USER MOD Single : A 94 LYS NZ :NH3+ -132:sc= 1.08 (180deg=-0.428) USER MOD Single : A 97 SER OG : rot -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -10.259 -1.322 10.180 1.00 21.41 N ATOM 21 CA LEU A 2 -9.664 -2.139 9.113 1.00 64.30 C ATOM 22 C LEU A 2 -8.457 -1.393 8.514 1.00 50.04 C ATOM 23 O LEU A 2 -8.615 -0.307 7.945 1.00 71.00 O ATOM 24 CB LEU A 2 -10.731 -2.449 8.027 1.00 64.45 C ATOM 25 CG LEU A 2 -12.036 -3.148 8.531 1.00 1.53 C ATOM 26 CD1 LEU A 2 -13.027 -3.381 7.372 1.00 72.40 C ATOM 27 CD2 LEU A 2 -11.722 -4.461 9.286 1.00 33.03 C ATOM 0 HA LEU A 2 -9.316 -3.088 9.521 1.00 64.30 H new ATOM 0 HB2 LEU A 2 -11.008 -1.514 7.540 1.00 64.45 H new ATOM 0 HB3 LEU A 2 -10.274 -3.082 7.266 1.00 64.45 H new ATOM 0 HG LEU A 2 -12.516 -2.476 9.242 1.00 1.53 H new ATOM 0 HD11 LEU A 2 -13.924 -3.868 7.753 1.00 72.40 H new ATOM 0 HD12 LEU A 2 -13.296 -2.424 6.925 1.00 72.40 H new ATOM 0 HD13 LEU A 2 -12.562 -4.016 6.618 1.00 72.40 H new ATOM 0 HD21 LEU A 2 -12.652 -4.919 9.622 1.00 33.03 H new ATOM 0 HD22 LEU A 2 -11.199 -5.147 8.620 1.00 33.03 H new ATOM 0 HD23 LEU A 2 -11.093 -4.243 10.149 1.00 33.03 H new ATOM 39 N LEU A 3 -7.250 -1.953 8.697 1.00 42.35 N ATOM 40 CA LEU A 3 -5.996 -1.388 8.164 1.00 13.33 C ATOM 41 C LEU A 3 -5.415 -2.338 7.104 1.00 60.22 C ATOM 42 O LEU A 3 -5.185 -3.524 7.382 1.00 12.22 O ATOM 43 CB LEU A 3 -4.972 -1.171 9.311 1.00 65.33 C ATOM 44 CG LEU A 3 -5.382 -0.159 10.426 1.00 42.54 C ATOM 45 CD1 LEU A 3 -4.350 -0.153 11.570 1.00 22.21 C ATOM 46 CD2 LEU A 3 -5.584 1.261 9.855 1.00 74.24 C ATOM 0 H LEU A 3 -7.114 -2.817 9.222 1.00 42.35 H new ATOM 0 HA LEU A 3 -6.206 -0.422 7.704 1.00 13.33 H new ATOM 0 HB2 LEU A 3 -4.776 -2.135 9.780 1.00 65.33 H new ATOM 0 HB3 LEU A 3 -4.033 -0.833 8.872 1.00 65.33 H new ATOM 0 HG LEU A 3 -6.338 -0.487 10.834 1.00 42.54 H new ATOM 0 HD11 LEU A 3 -4.658 0.560 12.334 1.00 22.21 H new ATOM 0 HD12 LEU A 3 -4.286 -1.149 12.008 1.00 22.21 H new ATOM 0 HD13 LEU A 3 -3.374 0.134 11.178 1.00 22.21 H new ATOM 0 HD21 LEU A 3 -5.869 1.939 10.659 1.00 74.24 H new ATOM 0 HD22 LEU A 3 -4.655 1.606 9.401 1.00 74.24 H new ATOM 0 HD23 LEU A 3 -6.371 1.241 9.101 1.00 74.24 H new ATOM 58 N TYR A 4 -5.200 -1.818 5.885 1.00 31.24 N ATOM 59 CA TYR A 4 -4.683 -2.601 4.745 1.00 30.31 C ATOM 60 C TYR A 4 -3.517 -1.870 4.079 1.00 74.03 C ATOM 61 O TYR A 4 -3.527 -0.647 3.965 1.00 13.21 O ATOM 62 CB TYR A 4 -5.820 -2.877 3.726 1.00 31.53 C ATOM 63 CG TYR A 4 -6.874 -3.859 4.262 1.00 33.13 C ATOM 64 CD1 TYR A 4 -6.610 -5.227 4.299 1.00 31.12 C ATOM 65 CD2 TYR A 4 -8.101 -3.423 4.769 1.00 55.11 C ATOM 66 CE1 TYR A 4 -7.524 -6.122 4.808 1.00 74.34 C ATOM 67 CE2 TYR A 4 -9.024 -4.324 5.274 1.00 32.13 C ATOM 68 CZ TYR A 4 -8.723 -5.668 5.299 1.00 44.35 C ATOM 69 OH TYR A 4 -9.620 -6.571 5.817 1.00 23.02 O ATOM 0 H TYR A 4 -5.380 -0.840 5.659 1.00 31.24 H new ATOM 0 HA TYR A 4 -4.314 -3.558 5.114 1.00 30.31 H new ATOM 0 HB2 TYR A 4 -6.305 -1.936 3.466 1.00 31.53 H new ATOM 0 HB3 TYR A 4 -5.390 -3.278 2.808 1.00 31.53 H new ATOM 0 HD1 TYR A 4 -5.667 -5.593 3.920 1.00 31.12 H new ATOM 0 HD2 TYR A 4 -8.333 -2.368 4.767 1.00 55.11 H new ATOM 0 HE1 TYR A 4 -7.298 -7.178 4.821 1.00 74.34 H new ATOM 0 HE2 TYR A 4 -9.975 -3.974 5.647 1.00 32.13 H new ATOM 0 HH TYR A 4 -10.420 -6.097 6.125 1.00 23.02 H new ATOM 79 N VAL A 5 -2.506 -2.641 3.666 1.00 44.23 N ATOM 80 CA VAL A 5 -1.294 -2.127 3.018 1.00 23.34 C ATOM 81 C VAL A 5 -1.125 -2.806 1.642 1.00 35.12 C ATOM 82 O VAL A 5 -1.243 -4.027 1.517 1.00 15.11 O ATOM 83 CB VAL A 5 -0.012 -2.375 3.918 1.00 51.31 C ATOM 84 CG1 VAL A 5 1.278 -1.887 3.232 1.00 42.25 C ATOM 85 CG2 VAL A 5 -0.177 -1.720 5.318 1.00 11.31 C ATOM 0 H VAL A 5 -2.506 -3.655 3.774 1.00 44.23 H new ATOM 0 HA VAL A 5 -1.398 -1.050 2.884 1.00 23.34 H new ATOM 0 HB VAL A 5 0.081 -3.453 4.053 1.00 51.31 H new ATOM 0 HG11 VAL A 5 2.131 -2.077 3.884 1.00 42.25 H new ATOM 0 HG12 VAL A 5 1.414 -2.421 2.292 1.00 42.25 H new ATOM 0 HG13 VAL A 5 1.203 -0.818 3.035 1.00 42.25 H new ATOM 0 HG21 VAL A 5 0.716 -1.906 5.914 1.00 11.31 H new ATOM 0 HG22 VAL A 5 -0.319 -0.646 5.202 1.00 11.31 H new ATOM 0 HG23 VAL A 5 -1.044 -2.149 5.820 1.00 11.31 H new ATOM 95 N LEU A 6 -0.909 -1.977 0.622 1.00 61.21 N ATOM 96 CA LEU A 6 -0.579 -2.374 -0.746 1.00 72.51 C ATOM 97 C LEU A 6 0.817 -1.824 -1.052 1.00 72.33 C ATOM 98 O LEU A 6 1.136 -0.704 -0.643 1.00 55.35 O ATOM 99 CB LEU A 6 -1.621 -1.792 -1.750 1.00 34.55 C ATOM 100 CG LEU A 6 -3.122 -2.118 -1.460 1.00 52.23 C ATOM 101 CD1 LEU A 6 -4.063 -1.538 -2.547 1.00 33.32 C ATOM 102 CD2 LEU A 6 -3.333 -3.631 -1.282 1.00 4.31 C ATOM 0 H LEU A 6 -0.962 -0.964 0.732 1.00 61.21 H new ATOM 0 HA LEU A 6 -0.598 -3.459 -0.846 1.00 72.51 H new ATOM 0 HB2 LEU A 6 -1.505 -0.708 -1.773 1.00 34.55 H new ATOM 0 HB3 LEU A 6 -1.378 -2.160 -2.747 1.00 34.55 H new ATOM 0 HG LEU A 6 -3.385 -1.630 -0.522 1.00 52.23 H new ATOM 0 HD11 LEU A 6 -5.096 -1.788 -2.305 1.00 33.32 H new ATOM 0 HD12 LEU A 6 -3.951 -0.454 -2.584 1.00 33.32 H new ATOM 0 HD13 LEU A 6 -3.804 -1.963 -3.517 1.00 33.32 H new ATOM 0 HD21 LEU A 6 -4.386 -3.830 -1.081 1.00 4.31 H new ATOM 0 HD22 LEU A 6 -3.032 -4.150 -2.192 1.00 4.31 H new ATOM 0 HD23 LEU A 6 -2.731 -3.987 -0.446 1.00 4.31 H new ATOM 114 N ILE A 7 1.651 -2.600 -1.746 1.00 41.11 N ATOM 115 CA ILE A 7 3.012 -2.176 -2.086 1.00 53.24 C ATOM 116 C ILE A 7 3.266 -2.365 -3.595 1.00 52.22 C ATOM 117 O ILE A 7 3.325 -3.493 -4.102 1.00 34.54 O ATOM 118 CB ILE A 7 4.091 -2.926 -1.202 1.00 34.43 C ATOM 119 CG1 ILE A 7 5.530 -2.422 -1.539 1.00 14.40 C ATOM 120 CG2 ILE A 7 3.991 -4.471 -1.311 1.00 21.44 C ATOM 121 CD1 ILE A 7 6.619 -2.973 -0.636 1.00 23.40 C ATOM 0 H ILE A 7 1.407 -3.530 -2.086 1.00 41.11 H new ATOM 0 HA ILE A 7 3.111 -1.114 -1.860 1.00 53.24 H new ATOM 0 HB ILE A 7 3.874 -2.681 -0.162 1.00 34.43 H new ATOM 0 HG12 ILE A 7 5.762 -2.688 -2.570 1.00 14.40 H new ATOM 0 HG13 ILE A 7 5.543 -1.334 -1.480 1.00 14.40 H new ATOM 0 HG21 ILE A 7 4.755 -4.930 -0.684 1.00 21.44 H new ATOM 0 HG22 ILE A 7 3.005 -4.796 -0.979 1.00 21.44 H new ATOM 0 HG23 ILE A 7 4.142 -4.773 -2.347 1.00 21.44 H new ATOM 0 HD11 ILE A 7 7.584 -2.570 -0.943 1.00 23.40 H new ATOM 0 HD12 ILE A 7 6.417 -2.685 0.396 1.00 23.40 H new ATOM 0 HD13 ILE A 7 6.639 -4.060 -0.712 1.00 23.40 H new ATOM 133 N ILE A 8 3.353 -1.241 -4.325 1.00 40.50 N ATOM 134 CA ILE A 8 3.754 -1.244 -5.733 1.00 30.11 C ATOM 135 C ILE A 8 5.287 -1.153 -5.773 1.00 73.52 C ATOM 136 O ILE A 8 5.857 -0.075 -5.560 1.00 11.43 O ATOM 137 CB ILE A 8 3.122 -0.036 -6.525 1.00 4.54 C ATOM 138 CG1 ILE A 8 1.582 0.040 -6.282 1.00 60.34 C ATOM 139 CG2 ILE A 8 3.459 -0.133 -8.038 1.00 60.31 C ATOM 140 CD1 ILE A 8 0.851 1.140 -7.030 1.00 2.42 C ATOM 0 H ILE A 8 3.148 -0.313 -3.955 1.00 40.50 H new ATOM 0 HA ILE A 8 3.398 -2.157 -6.211 1.00 30.11 H new ATOM 0 HB ILE A 8 3.559 0.889 -6.150 1.00 4.54 H new ATOM 0 HG12 ILE A 8 1.141 -0.918 -6.559 1.00 60.34 H new ATOM 0 HG13 ILE A 8 1.407 0.174 -5.214 1.00 60.34 H new ATOM 0 HG21 ILE A 8 3.013 0.710 -8.565 1.00 60.31 H new ATOM 0 HG22 ILE A 8 4.541 -0.114 -8.172 1.00 60.31 H new ATOM 0 HG23 ILE A 8 3.060 -1.064 -8.441 1.00 60.31 H new ATOM 0 HD11 ILE A 8 -0.211 1.101 -6.788 1.00 2.42 H new ATOM 0 HD12 ILE A 8 1.254 2.109 -6.737 1.00 2.42 H new ATOM 0 HD13 ILE A 8 0.984 1.001 -8.103 1.00 2.42 H new ATOM 152 N SER A 9 5.935 -2.300 -6.000 1.00 52.20 N ATOM 153 CA SER A 9 7.393 -2.400 -6.082 1.00 71.22 C ATOM 154 C SER A 9 7.776 -3.666 -6.859 1.00 62.52 C ATOM 155 O SER A 9 7.129 -4.709 -6.717 1.00 33.24 O ATOM 156 CB SER A 9 8.017 -2.437 -4.661 1.00 44.44 C ATOM 157 OG SER A 9 9.438 -2.438 -4.711 1.00 23.12 O ATOM 0 H SER A 9 5.457 -3.191 -6.133 1.00 52.20 H new ATOM 0 HA SER A 9 7.779 -1.524 -6.603 1.00 71.22 H new ATOM 0 HB2 SER A 9 7.673 -1.574 -4.090 1.00 44.44 H new ATOM 0 HB3 SER A 9 7.671 -3.326 -4.134 1.00 44.44 H new ATOM 0 HG SER A 9 9.760 -1.530 -4.894 1.00 23.12 H new ATOM 163 N ASN A 10 8.808 -3.548 -7.703 1.00 73.15 N ATOM 164 CA ASN A 10 9.430 -4.699 -8.379 1.00 24.02 C ATOM 165 C ASN A 10 10.569 -5.269 -7.519 1.00 3.02 C ATOM 166 O ASN A 10 11.025 -6.388 -7.762 1.00 52.14 O ATOM 167 CB ASN A 10 9.957 -4.285 -9.783 1.00 75.11 C ATOM 168 CG ASN A 10 8.838 -3.906 -10.767 1.00 42.33 C ATOM 169 OD1 ASN A 10 7.712 -4.407 -10.680 1.00 54.33 O ATOM 170 ND2 ASN A 10 9.144 -3.047 -11.731 1.00 2.41 N ATOM 0 H ASN A 10 9.237 -2.653 -7.938 1.00 73.15 H new ATOM 0 HA ASN A 10 8.676 -5.475 -8.512 1.00 24.02 H new ATOM 0 HB2 ASN A 10 10.636 -3.440 -9.673 1.00 75.11 H new ATOM 0 HB3 ASN A 10 10.537 -5.107 -10.202 1.00 75.11 H new ATOM 0 HD21 ASN A 10 8.442 -2.786 -12.423 1.00 2.41 H new ATOM 0 HD22 ASN A 10 10.081 -2.648 -11.780 1.00 2.41 H new ATOM 177 N ASP A 11 10.997 -4.495 -6.500 1.00 0.20 N ATOM 178 CA ASP A 11 12.093 -4.871 -5.597 1.00 44.41 C ATOM 179 C ASP A 11 11.619 -5.947 -4.608 1.00 62.02 C ATOM 180 O ASP A 11 10.894 -5.636 -3.658 1.00 41.32 O ATOM 181 CB ASP A 11 12.601 -3.634 -4.819 1.00 52.13 C ATOM 182 CG ASP A 11 13.097 -2.506 -5.723 1.00 10.51 C ATOM 183 OD1 ASP A 11 12.280 -1.648 -6.125 1.00 61.34 O ATOM 184 OD2 ASP A 11 14.304 -2.470 -6.041 1.00 73.32 O ATOM 0 H ASP A 11 10.586 -3.587 -6.283 1.00 0.20 H new ATOM 0 HA ASP A 11 12.911 -5.271 -6.196 1.00 44.41 H new ATOM 0 HB2 ASP A 11 11.797 -3.256 -4.188 1.00 52.13 H new ATOM 0 HB3 ASP A 11 13.410 -3.939 -4.155 1.00 52.13 H new ATOM 189 N LYS A 12 12.039 -7.203 -4.839 1.00 54.02 N ATOM 190 CA LYS A 12 11.663 -8.357 -3.996 1.00 12.33 C ATOM 191 C LYS A 12 12.173 -8.185 -2.549 1.00 25.23 C ATOM 192 O LYS A 12 11.440 -8.480 -1.601 1.00 55.35 O ATOM 193 CB LYS A 12 12.167 -9.698 -4.636 1.00 51.01 C ATOM 194 CG LYS A 12 11.169 -10.470 -5.558 1.00 32.24 C ATOM 195 CD LYS A 12 10.569 -9.656 -6.752 1.00 3.42 C ATOM 196 CE LYS A 12 9.254 -8.925 -6.400 1.00 51.10 C ATOM 197 NZ LYS A 12 8.631 -8.272 -7.587 1.00 53.12 N ATOM 0 H LYS A 12 12.651 -7.450 -5.617 1.00 54.02 H new ATOM 0 HA LYS A 12 10.575 -8.402 -3.947 1.00 12.33 H new ATOM 0 HB2 LYS A 12 13.063 -9.479 -5.217 1.00 51.01 H new ATOM 0 HB3 LYS A 12 12.466 -10.366 -3.828 1.00 51.01 H new ATOM 0 HG2 LYS A 12 11.680 -11.345 -5.961 1.00 32.24 H new ATOM 0 HG3 LYS A 12 10.346 -10.836 -4.944 1.00 32.24 H new ATOM 0 HD2 LYS A 12 11.304 -8.924 -7.088 1.00 3.42 H new ATOM 0 HD3 LYS A 12 10.387 -10.332 -7.587 1.00 3.42 H new ATOM 0 HE2 LYS A 12 8.550 -9.637 -5.969 1.00 51.10 H new ATOM 0 HE3 LYS A 12 9.453 -8.172 -5.637 1.00 51.10 H new ATOM 0 HZ1 LYS A 12 7.727 -7.839 -7.310 1.00 53.12 H new ATOM 0 HZ2 LYS A 12 9.269 -7.537 -7.954 1.00 53.12 H new ATOM 0 HZ3 LYS A 12 8.462 -8.984 -8.326 1.00 53.12 H new ATOM 211 N LYS A 13 13.404 -7.661 -2.397 1.00 21.22 N ATOM 212 CA LYS A 13 14.029 -7.484 -1.074 1.00 14.33 C ATOM 213 C LYS A 13 13.276 -6.410 -0.263 1.00 20.40 C ATOM 214 O LYS A 13 13.017 -6.596 0.927 1.00 34.42 O ATOM 215 CB LYS A 13 15.530 -7.111 -1.215 1.00 54.21 C ATOM 216 CG LYS A 13 16.421 -8.086 -2.027 1.00 53.41 C ATOM 217 CD LYS A 13 16.503 -9.528 -1.447 1.00 72.11 C ATOM 218 CE LYS A 13 15.477 -10.504 -2.061 1.00 1.11 C ATOM 219 NZ LYS A 13 15.542 -11.855 -1.429 1.00 50.14 N ATOM 0 H LYS A 13 13.986 -7.353 -3.176 1.00 21.22 H new ATOM 0 HA LYS A 13 13.966 -8.431 -0.538 1.00 14.33 H new ATOM 0 HB2 LYS A 13 15.593 -6.127 -1.679 1.00 54.21 H new ATOM 0 HB3 LYS A 13 15.952 -7.019 -0.214 1.00 54.21 H new ATOM 0 HG2 LYS A 13 16.041 -8.140 -3.047 1.00 53.41 H new ATOM 0 HG3 LYS A 13 17.429 -7.674 -2.084 1.00 53.41 H new ATOM 0 HD2 LYS A 13 17.507 -9.920 -1.611 1.00 72.11 H new ATOM 0 HD3 LYS A 13 16.350 -9.485 -0.369 1.00 72.11 H new ATOM 0 HE2 LYS A 13 14.473 -10.096 -1.943 1.00 1.11 H new ATOM 0 HE3 LYS A 13 15.660 -10.596 -3.132 1.00 1.11 H new ATOM 0 HZ1 LYS A 13 14.814 -12.469 -1.847 1.00 50.14 H new ATOM 0 HZ2 LYS A 13 16.481 -12.270 -1.593 1.00 50.14 H new ATOM 0 HZ3 LYS A 13 15.376 -11.768 -0.406 1.00 50.14 H new ATOM 233 N LEU A 14 12.921 -5.296 -0.939 1.00 53.31 N ATOM 234 CA LEU A 14 12.171 -4.170 -0.328 1.00 24.50 C ATOM 235 C LEU A 14 10.773 -4.631 0.138 1.00 52.41 C ATOM 236 O LEU A 14 10.281 -4.188 1.187 1.00 71.31 O ATOM 237 CB LEU A 14 12.099 -2.996 -1.350 1.00 54.34 C ATOM 238 CG LEU A 14 11.533 -1.605 -0.860 1.00 71.10 C ATOM 239 CD1 LEU A 14 12.144 -0.445 -1.676 1.00 15.42 C ATOM 240 CD2 LEU A 14 9.988 -1.526 -0.933 1.00 1.14 C ATOM 0 H LEU A 14 13.145 -5.149 -1.923 1.00 53.31 H new ATOM 0 HA LEU A 14 12.690 -3.817 0.563 1.00 24.50 H new ATOM 0 HB2 LEU A 14 13.105 -2.828 -1.734 1.00 54.34 H new ATOM 0 HB3 LEU A 14 11.488 -3.325 -2.191 1.00 54.34 H new ATOM 0 HG LEU A 14 11.821 -1.512 0.187 1.00 71.10 H new ATOM 0 HD11 LEU A 14 11.739 0.503 -1.321 1.00 15.42 H new ATOM 0 HD12 LEU A 14 13.227 -0.445 -1.554 1.00 15.42 H new ATOM 0 HD13 LEU A 14 11.897 -0.572 -2.730 1.00 15.42 H new ATOM 0 HD21 LEU A 14 9.657 -0.548 -0.584 1.00 1.14 H new ATOM 0 HD22 LEU A 14 9.664 -1.672 -1.964 1.00 1.14 H new ATOM 0 HD23 LEU A 14 9.554 -2.302 -0.303 1.00 1.14 H new ATOM 252 N ILE A 15 10.148 -5.525 -0.654 1.00 61.52 N ATOM 253 CA ILE A 15 8.844 -6.127 -0.322 1.00 11.35 C ATOM 254 C ILE A 15 8.956 -7.056 0.909 1.00 30.42 C ATOM 255 O ILE A 15 8.057 -7.064 1.748 1.00 64.23 O ATOM 256 CB ILE A 15 8.237 -6.904 -1.556 1.00 50.23 C ATOM 257 CG1 ILE A 15 7.898 -5.906 -2.718 1.00 20.51 C ATOM 258 CG2 ILE A 15 6.992 -7.728 -1.160 1.00 72.54 C ATOM 259 CD1 ILE A 15 7.346 -6.545 -3.983 1.00 20.42 C ATOM 0 H ILE A 15 10.534 -5.849 -1.541 1.00 61.52 H new ATOM 0 HA ILE A 15 8.163 -5.313 -0.072 1.00 11.35 H new ATOM 0 HB ILE A 15 8.992 -7.608 -1.907 1.00 50.23 H new ATOM 0 HG12 ILE A 15 7.173 -5.180 -2.351 1.00 20.51 H new ATOM 0 HG13 ILE A 15 8.801 -5.352 -2.975 1.00 20.51 H new ATOM 0 HG21 ILE A 15 6.605 -8.247 -2.037 1.00 72.54 H new ATOM 0 HG22 ILE A 15 7.266 -8.458 -0.398 1.00 72.54 H new ATOM 0 HG23 ILE A 15 6.225 -7.062 -0.765 1.00 72.54 H new ATOM 0 HD11 ILE A 15 7.145 -5.771 -4.724 1.00 20.42 H new ATOM 0 HD12 ILE A 15 8.076 -7.249 -4.383 1.00 20.42 H new ATOM 0 HD13 ILE A 15 6.422 -7.074 -3.750 1.00 20.42 H new ATOM 271 N GLU A 16 10.074 -7.815 1.009 1.00 23.33 N ATOM 272 CA GLU A 16 10.347 -8.688 2.179 1.00 12.41 C ATOM 273 C GLU A 16 10.415 -7.847 3.465 1.00 53.50 C ATOM 274 O GLU A 16 9.732 -8.140 4.445 1.00 72.20 O ATOM 275 CB GLU A 16 11.676 -9.471 2.006 1.00 0.31 C ATOM 276 CG GLU A 16 11.681 -10.504 0.864 1.00 32.45 C ATOM 277 CD GLU A 16 13.036 -11.215 0.677 1.00 50.42 C ATOM 278 OE1 GLU A 16 14.088 -10.598 0.948 1.00 13.24 O ATOM 279 OE2 GLU A 16 13.061 -12.389 0.243 1.00 64.40 O ATOM 0 H GLU A 16 10.801 -7.841 0.295 1.00 23.33 H new ATOM 0 HA GLU A 16 9.530 -9.406 2.251 1.00 12.41 H new ATOM 0 HB2 GLU A 16 12.481 -8.757 1.832 1.00 0.31 H new ATOM 0 HB3 GLU A 16 11.902 -9.984 2.941 1.00 0.31 H new ATOM 0 HG2 GLU A 16 10.912 -11.252 1.059 1.00 32.45 H new ATOM 0 HG3 GLU A 16 11.411 -10.005 -0.067 1.00 32.45 H new ATOM 286 N GLU A 17 11.218 -6.772 3.397 1.00 13.35 N ATOM 287 CA GLU A 17 11.441 -5.836 4.511 1.00 22.12 C ATOM 288 C GLU A 17 10.129 -5.192 4.997 1.00 62.21 C ATOM 289 O GLU A 17 9.878 -5.095 6.211 1.00 32.33 O ATOM 290 CB GLU A 17 12.434 -4.739 4.061 1.00 21.11 C ATOM 291 CG GLU A 17 13.886 -5.218 3.859 1.00 72.05 C ATOM 292 CD GLU A 17 14.560 -5.706 5.155 1.00 12.44 C ATOM 293 OE1 GLU A 17 14.712 -4.893 6.097 1.00 61.55 O ATOM 294 OE2 GLU A 17 14.940 -6.894 5.245 1.00 11.11 O ATOM 0 H GLU A 17 11.738 -6.526 2.555 1.00 13.35 H new ATOM 0 HA GLU A 17 11.854 -6.398 5.348 1.00 22.12 H new ATOM 0 HB2 GLU A 17 12.076 -4.307 3.126 1.00 21.11 H new ATOM 0 HB3 GLU A 17 12.431 -3.940 4.803 1.00 21.11 H new ATOM 0 HG2 GLU A 17 13.895 -6.027 3.128 1.00 72.05 H new ATOM 0 HG3 GLU A 17 14.474 -4.402 3.439 1.00 72.05 H new ATOM 301 N ALA A 18 9.304 -4.760 4.029 1.00 10.12 N ATOM 302 CA ALA A 18 7.999 -4.144 4.295 1.00 1.33 C ATOM 303 C ALA A 18 7.029 -5.170 4.917 1.00 71.21 C ATOM 304 O ALA A 18 6.350 -4.876 5.908 1.00 23.20 O ATOM 305 CB ALA A 18 7.428 -3.576 2.994 1.00 11.34 C ATOM 0 H ALA A 18 9.527 -4.830 3.036 1.00 10.12 H new ATOM 0 HA ALA A 18 8.127 -3.332 5.010 1.00 1.33 H new ATOM 0 HB1 ALA A 18 6.459 -3.118 3.191 1.00 11.34 H new ATOM 0 HB2 ALA A 18 8.109 -2.825 2.595 1.00 11.34 H new ATOM 0 HB3 ALA A 18 7.309 -4.380 2.268 1.00 11.34 H new ATOM 311 N ARG A 19 7.015 -6.390 4.329 1.00 12.43 N ATOM 312 CA ARG A 19 6.120 -7.491 4.747 1.00 25.10 C ATOM 313 C ARG A 19 6.400 -7.903 6.200 1.00 55.42 C ATOM 314 O ARG A 19 5.471 -8.214 6.941 1.00 30.33 O ATOM 315 CB ARG A 19 6.261 -8.737 3.818 1.00 71.11 C ATOM 316 CG ARG A 19 5.023 -9.676 3.818 1.00 70.22 C ATOM 317 CD ARG A 19 5.349 -11.137 3.444 1.00 42.12 C ATOM 318 NE ARG A 19 6.017 -11.844 4.557 1.00 40.30 N ATOM 319 CZ ARG A 19 6.140 -13.178 4.670 1.00 3.43 C ATOM 320 NH1 ARG A 19 5.658 -13.998 3.743 1.00 13.11 N ATOM 321 NH2 ARG A 19 6.736 -13.684 5.736 1.00 24.13 N ATOM 0 H ARG A 19 7.626 -6.637 3.550 1.00 12.43 H new ATOM 0 HA ARG A 19 5.100 -7.116 4.668 1.00 25.10 H new ATOM 0 HB2 ARG A 19 6.445 -8.397 2.799 1.00 71.11 H new ATOM 0 HB3 ARG A 19 7.136 -9.309 4.126 1.00 71.11 H new ATOM 0 HG2 ARG A 19 4.565 -9.658 4.807 1.00 70.22 H new ATOM 0 HG3 ARG A 19 4.284 -9.288 3.117 1.00 70.22 H new ATOM 0 HD2 ARG A 19 4.430 -11.660 3.179 1.00 42.12 H new ATOM 0 HD3 ARG A 19 5.991 -11.154 2.563 1.00 42.12 H new ATOM 0 HE ARG A 19 6.418 -11.273 5.301 1.00 40.30 H new ATOM 0 HH11 ARG A 19 5.183 -13.619 2.924 1.00 13.11 H new ATOM 0 HH12 ARG A 19 5.763 -15.007 3.850 1.00 13.11 H new ATOM 0 HH21 ARG A 19 7.096 -13.064 6.461 1.00 24.13 H new ATOM 0 HH22 ARG A 19 6.835 -14.694 5.833 1.00 24.13 H new ATOM 335 N LYS A 20 7.697 -7.869 6.587 1.00 41.33 N ATOM 336 CA LYS A 20 8.141 -8.147 7.965 1.00 31.52 C ATOM 337 C LYS A 20 7.436 -7.207 8.960 1.00 12.20 C ATOM 338 O LYS A 20 6.867 -7.661 9.947 1.00 14.41 O ATOM 339 CB LYS A 20 9.686 -7.984 8.081 1.00 63.42 C ATOM 340 CG LYS A 20 10.541 -9.058 7.336 1.00 21.21 C ATOM 341 CD LYS A 20 11.153 -10.152 8.254 1.00 24.00 C ATOM 342 CE LYS A 20 10.111 -11.014 8.990 1.00 1.34 C ATOM 343 NZ LYS A 20 9.226 -11.762 8.060 1.00 50.33 N ATOM 0 H LYS A 20 8.462 -7.648 5.949 1.00 41.33 H new ATOM 0 HA LYS A 20 7.876 -9.176 8.209 1.00 31.52 H new ATOM 0 HB2 LYS A 20 9.958 -7.001 7.698 1.00 63.42 H new ATOM 0 HB3 LYS A 20 9.956 -8.001 9.137 1.00 63.42 H new ATOM 0 HG2 LYS A 20 9.917 -9.541 6.584 1.00 21.21 H new ATOM 0 HG3 LYS A 20 11.349 -8.555 6.805 1.00 21.21 H new ATOM 0 HD2 LYS A 20 11.786 -10.803 7.652 1.00 24.00 H new ATOM 0 HD3 LYS A 20 11.798 -9.673 8.991 1.00 24.00 H new ATOM 0 HE2 LYS A 20 10.625 -11.720 9.643 1.00 1.34 H new ATOM 0 HE3 LYS A 20 9.502 -10.374 9.629 1.00 1.34 H new ATOM 0 HZ1 LYS A 20 8.280 -11.331 8.059 1.00 50.33 H new ATOM 0 HZ2 LYS A 20 9.623 -11.728 7.100 1.00 50.33 H new ATOM 0 HZ3 LYS A 20 9.155 -12.752 8.370 1.00 50.33 H new ATOM 357 N MET A 21 7.440 -5.898 8.641 1.00 64.14 N ATOM 358 CA MET A 21 6.807 -4.859 9.476 1.00 53.31 C ATOM 359 C MET A 21 5.280 -4.971 9.500 1.00 33.20 C ATOM 360 O MET A 21 4.660 -4.645 10.510 1.00 52.15 O ATOM 361 CB MET A 21 7.241 -3.449 9.008 1.00 22.44 C ATOM 362 CG MET A 21 8.605 -3.012 9.549 1.00 33.40 C ATOM 363 SD MET A 21 8.669 -2.954 11.352 1.00 15.40 S ATOM 364 CE MET A 21 7.305 -1.850 11.734 1.00 14.43 C ATOM 0 H MET A 21 7.882 -5.532 7.798 1.00 64.14 H new ATOM 0 HA MET A 21 7.152 -5.019 10.498 1.00 53.31 H new ATOM 0 HB2 MET A 21 7.270 -3.431 7.919 1.00 22.44 H new ATOM 0 HB3 MET A 21 6.488 -2.725 9.319 1.00 22.44 H new ATOM 0 HG2 MET A 21 9.370 -3.699 9.187 1.00 33.40 H new ATOM 0 HG3 MET A 21 8.848 -2.027 9.151 1.00 33.40 H new ATOM 0 HE1 MET A 21 7.521 -1.310 12.656 1.00 14.43 H new ATOM 0 HE2 MET A 21 7.173 -1.139 10.919 1.00 14.43 H new ATOM 0 HE3 MET A 21 6.391 -2.431 11.860 1.00 14.43 H new ATOM 374 N ALA A 22 4.687 -5.403 8.384 1.00 51.15 N ATOM 375 CA ALA A 22 3.243 -5.655 8.303 1.00 4.14 C ATOM 376 C ALA A 22 2.826 -6.829 9.211 1.00 22.20 C ATOM 377 O ALA A 22 1.774 -6.780 9.845 1.00 24.10 O ATOM 378 CB ALA A 22 2.847 -5.897 6.853 1.00 34.42 C ATOM 0 H ALA A 22 5.189 -5.587 7.515 1.00 51.15 H new ATOM 0 HA ALA A 22 2.711 -4.775 8.665 1.00 4.14 H new ATOM 0 HB1 ALA A 22 1.775 -6.084 6.795 1.00 34.42 H new ATOM 0 HB2 ALA A 22 3.095 -5.019 6.257 1.00 34.42 H new ATOM 0 HB3 ALA A 22 3.387 -6.762 6.468 1.00 34.42 H new ATOM 384 N GLU A 23 3.681 -7.866 9.280 1.00 64.11 N ATOM 385 CA GLU A 23 3.501 -9.006 10.205 1.00 0.12 C ATOM 386 C GLU A 23 3.644 -8.540 11.674 1.00 31.43 C ATOM 387 O GLU A 23 2.856 -8.930 12.546 1.00 73.11 O ATOM 388 CB GLU A 23 4.549 -10.110 9.892 1.00 43.04 C ATOM 389 CG GLU A 23 4.402 -10.772 8.502 1.00 41.04 C ATOM 390 CD GLU A 23 5.584 -11.695 8.147 1.00 5.23 C ATOM 391 OE1 GLU A 23 5.573 -12.882 8.548 1.00 1.45 O ATOM 392 OE2 GLU A 23 6.534 -11.240 7.471 1.00 24.35 O ATOM 0 H GLU A 23 4.516 -7.940 8.698 1.00 64.11 H new ATOM 0 HA GLU A 23 2.499 -9.413 10.067 1.00 0.12 H new ATOM 0 HB2 GLU A 23 5.546 -9.676 9.968 1.00 43.04 H new ATOM 0 HB3 GLU A 23 4.479 -10.884 10.656 1.00 43.04 H new ATOM 0 HG2 GLU A 23 3.477 -11.349 8.476 1.00 41.04 H new ATOM 0 HG3 GLU A 23 4.314 -9.995 7.743 1.00 41.04 H new ATOM 399 N LYS A 24 4.650 -7.679 11.910 1.00 43.12 N ATOM 400 CA LYS A 24 4.963 -7.104 13.238 1.00 44.52 C ATOM 401 C LYS A 24 3.842 -6.172 13.734 1.00 51.02 C ATOM 402 O LYS A 24 3.596 -6.066 14.941 1.00 41.31 O ATOM 403 CB LYS A 24 6.308 -6.328 13.165 1.00 12.04 C ATOM 404 CG LYS A 24 7.559 -7.221 12.971 1.00 44.31 C ATOM 405 CD LYS A 24 8.843 -6.414 12.661 1.00 53.25 C ATOM 406 CE LYS A 24 9.149 -5.324 13.703 1.00 40.34 C ATOM 407 NZ LYS A 24 9.241 -5.867 15.090 1.00 15.02 N ATOM 0 H LYS A 24 5.280 -7.356 11.175 1.00 43.12 H new ATOM 0 HA LYS A 24 5.048 -7.925 13.950 1.00 44.52 H new ATOM 0 HB2 LYS A 24 6.256 -5.614 12.343 1.00 12.04 H new ATOM 0 HB3 LYS A 24 6.429 -5.750 14.081 1.00 12.04 H new ATOM 0 HG2 LYS A 24 7.718 -7.813 13.873 1.00 44.31 H new ATOM 0 HG3 LYS A 24 7.374 -7.923 12.158 1.00 44.31 H new ATOM 0 HD2 LYS A 24 9.689 -7.099 12.605 1.00 53.25 H new ATOM 0 HD3 LYS A 24 8.743 -5.950 11.680 1.00 53.25 H new ATOM 0 HE2 LYS A 24 10.088 -4.834 13.446 1.00 40.34 H new ATOM 0 HE3 LYS A 24 8.371 -4.562 13.666 1.00 40.34 H new ATOM 0 HZ1 LYS A 24 9.482 -5.099 15.748 1.00 15.02 H new ATOM 0 HZ2 LYS A 24 8.327 -6.282 15.362 1.00 15.02 H new ATOM 0 HZ3 LYS A 24 9.979 -6.599 15.128 1.00 15.02 H new ATOM 421 N ALA A 25 3.186 -5.484 12.788 1.00 43.50 N ATOM 422 CA ALA A 25 2.089 -4.542 13.075 1.00 54.40 C ATOM 423 C ALA A 25 0.705 -5.193 12.911 1.00 20.13 C ATOM 424 O ALA A 25 -0.312 -4.513 13.081 1.00 62.15 O ATOM 425 CB ALA A 25 2.227 -3.311 12.161 1.00 60.15 C ATOM 0 H ALA A 25 3.402 -5.565 11.794 1.00 43.50 H new ATOM 0 HA ALA A 25 2.166 -4.236 14.118 1.00 54.40 H new ATOM 0 HB1 ALA A 25 1.418 -2.611 12.369 1.00 60.15 H new ATOM 0 HB2 ALA A 25 3.185 -2.825 12.348 1.00 60.15 H new ATOM 0 HB3 ALA A 25 2.176 -3.625 11.118 1.00 60.15 H new ATOM 431 N ASN A 26 0.684 -6.504 12.561 1.00 1.52 N ATOM 432 CA ASN A 26 -0.556 -7.327 12.428 1.00 23.51 C ATOM 433 C ASN A 26 -1.437 -6.874 11.216 1.00 24.12 C ATOM 434 O ASN A 26 -2.577 -7.316 11.043 1.00 0.51 O ATOM 435 CB ASN A 26 -1.324 -7.346 13.799 1.00 54.43 C ATOM 436 CG ASN A 26 -2.582 -8.229 13.839 1.00 73.33 C ATOM 437 OD1 ASN A 26 -3.700 -7.747 13.649 1.00 60.34 O ATOM 438 ND2 ASN A 26 -2.410 -9.524 14.082 1.00 74.30 N ATOM 0 H ASN A 26 1.535 -7.030 12.360 1.00 1.52 H new ATOM 0 HA ASN A 26 -0.281 -8.356 12.196 1.00 23.51 H new ATOM 0 HB2 ASN A 26 -0.638 -7.685 14.575 1.00 54.43 H new ATOM 0 HB3 ASN A 26 -1.610 -6.325 14.050 1.00 54.43 H new ATOM 0 HD21 ASN A 26 -3.216 -10.148 14.115 1.00 74.30 H new ATOM 0 HD22 ASN A 26 -1.472 -9.894 14.235 1.00 74.30 H new ATOM 445 N LEU A 27 -0.851 -6.042 10.337 1.00 2.25 N ATOM 446 CA LEU A 27 -1.531 -5.505 9.134 1.00 22.52 C ATOM 447 C LEU A 27 -1.410 -6.483 7.947 1.00 42.42 C ATOM 448 O LEU A 27 -0.494 -7.312 7.902 1.00 51.41 O ATOM 449 CB LEU A 27 -0.913 -4.129 8.740 1.00 31.44 C ATOM 450 CG LEU A 27 -0.782 -3.073 9.887 1.00 74.33 C ATOM 451 CD1 LEU A 27 -0.288 -1.707 9.361 1.00 51.51 C ATOM 452 CD2 LEU A 27 -2.088 -2.937 10.688 1.00 62.31 C ATOM 0 H LEU A 27 0.111 -5.719 10.437 1.00 2.25 H new ATOM 0 HA LEU A 27 -2.587 -5.377 9.372 1.00 22.52 H new ATOM 0 HB2 LEU A 27 0.079 -4.306 8.323 1.00 31.44 H new ATOM 0 HB3 LEU A 27 -1.520 -3.697 7.945 1.00 31.44 H new ATOM 0 HG LEU A 27 -0.020 -3.443 10.574 1.00 74.33 H new ATOM 0 HD11 LEU A 27 -0.211 -1.004 10.190 1.00 51.51 H new ATOM 0 HD12 LEU A 27 0.691 -1.828 8.896 1.00 51.51 H new ATOM 0 HD13 LEU A 27 -0.994 -1.324 8.624 1.00 51.51 H new ATOM 0 HD21 LEU A 27 -1.956 -2.194 11.475 1.00 62.31 H new ATOM 0 HD22 LEU A 27 -2.892 -2.622 10.023 1.00 62.31 H new ATOM 0 HD23 LEU A 27 -2.343 -3.898 11.135 1.00 62.31 H new ATOM 464 N GLU A 28 -2.348 -6.374 6.995 1.00 1.24 N ATOM 465 CA GLU A 28 -2.293 -7.097 5.708 1.00 24.53 C ATOM 466 C GLU A 28 -1.390 -6.336 4.725 1.00 44.23 C ATOM 467 O GLU A 28 -1.506 -5.121 4.613 1.00 31.23 O ATOM 468 CB GLU A 28 -3.724 -7.231 5.111 1.00 72.03 C ATOM 469 CG GLU A 28 -4.626 -8.282 5.793 1.00 25.32 C ATOM 470 CD GLU A 28 -4.229 -9.731 5.461 1.00 2.52 C ATOM 471 OE1 GLU A 28 -4.253 -10.095 4.259 1.00 45.21 O ATOM 472 OE2 GLU A 28 -3.911 -10.519 6.386 1.00 53.33 O ATOM 0 H GLU A 28 -3.171 -5.780 7.093 1.00 1.24 H new ATOM 0 HA GLU A 28 -1.884 -8.093 5.877 1.00 24.53 H new ATOM 0 HB2 GLU A 28 -4.217 -6.260 5.169 1.00 72.03 H new ATOM 0 HB3 GLU A 28 -3.637 -7.482 4.054 1.00 72.03 H new ATOM 0 HG2 GLU A 28 -4.586 -8.140 6.873 1.00 25.32 H new ATOM 0 HG3 GLU A 28 -5.659 -8.117 5.488 1.00 25.32 H new ATOM 479 N LEU A 29 -0.491 -7.053 4.032 1.00 62.32 N ATOM 480 CA LEU A 29 0.331 -6.486 2.945 1.00 1.52 C ATOM 481 C LEU A 29 0.108 -7.300 1.667 1.00 53.23 C ATOM 482 O LEU A 29 0.249 -8.528 1.676 1.00 62.21 O ATOM 483 CB LEU A 29 1.830 -6.432 3.344 1.00 34.53 C ATOM 484 CG LEU A 29 2.817 -5.820 2.266 1.00 51.23 C ATOM 485 CD1 LEU A 29 3.865 -4.892 2.912 1.00 72.54 C ATOM 486 CD2 LEU A 29 3.515 -6.921 1.425 1.00 44.41 C ATOM 0 H LEU A 29 -0.312 -8.042 4.207 1.00 62.32 H new ATOM 0 HA LEU A 29 0.023 -5.457 2.759 1.00 1.52 H new ATOM 0 HB2 LEU A 29 1.920 -5.850 4.261 1.00 34.53 H new ATOM 0 HB3 LEU A 29 2.160 -7.445 3.575 1.00 34.53 H new ATOM 0 HG LEU A 29 2.204 -5.222 1.592 1.00 51.23 H new ATOM 0 HD11 LEU A 29 4.523 -4.493 2.140 1.00 72.54 H new ATOM 0 HD12 LEU A 29 3.360 -4.070 3.419 1.00 72.54 H new ATOM 0 HD13 LEU A 29 4.455 -5.456 3.634 1.00 72.54 H new ATOM 0 HD21 LEU A 29 4.182 -6.456 0.699 1.00 44.41 H new ATOM 0 HD22 LEU A 29 4.091 -7.571 2.083 1.00 44.41 H new ATOM 0 HD23 LEU A 29 2.763 -7.510 0.901 1.00 44.41 H new ATOM 498 N ARG A 30 -0.252 -6.608 0.575 1.00 13.34 N ATOM 499 CA ARG A 30 -0.554 -7.223 -0.723 1.00 1.44 C ATOM 500 C ARG A 30 0.355 -6.603 -1.799 1.00 5.32 C ATOM 501 O ARG A 30 0.465 -5.374 -1.888 1.00 75.51 O ATOM 502 CB ARG A 30 -2.054 -7.027 -1.080 1.00 51.11 C ATOM 503 CG ARG A 30 -3.062 -7.599 -0.050 1.00 64.31 C ATOM 504 CD ARG A 30 -2.875 -9.107 0.194 1.00 10.24 C ATOM 505 NE ARG A 30 -3.881 -9.659 1.128 1.00 50.34 N ATOM 506 CZ ARG A 30 -4.706 -10.689 0.854 1.00 0.43 C ATOM 507 NH1 ARG A 30 -4.681 -11.292 -0.334 1.00 34.32 N ATOM 508 NH2 ARG A 30 -5.543 -11.119 1.790 1.00 74.24 N ATOM 0 H ARG A 30 -0.342 -5.592 0.571 1.00 13.34 H new ATOM 0 HA ARG A 30 -0.363 -8.295 -0.673 1.00 1.44 H new ATOM 0 HB2 ARG A 30 -2.246 -5.960 -1.197 1.00 51.11 H new ATOM 0 HB3 ARG A 30 -2.244 -7.493 -2.047 1.00 51.11 H new ATOM 0 HG2 ARG A 30 -2.951 -7.066 0.894 1.00 64.31 H new ATOM 0 HG3 ARG A 30 -4.077 -7.416 -0.402 1.00 64.31 H new ATOM 0 HD2 ARG A 30 -2.938 -9.636 -0.757 1.00 10.24 H new ATOM 0 HD3 ARG A 30 -1.877 -9.286 0.593 1.00 10.24 H new ATOM 0 HE ARG A 30 -3.956 -9.227 2.049 1.00 50.34 H new ATOM 0 HH11 ARG A 30 -4.030 -10.975 -1.053 1.00 34.32 H new ATOM 0 HH12 ARG A 30 -5.312 -12.070 -0.524 1.00 34.32 H new ATOM 0 HH21 ARG A 30 -5.558 -10.671 2.706 1.00 74.24 H new ATOM 0 HH22 ARG A 30 -6.172 -11.898 1.593 1.00 74.24 H new ATOM 522 N THR A 31 0.995 -7.463 -2.603 1.00 45.33 N ATOM 523 CA THR A 31 1.975 -7.057 -3.618 1.00 42.52 C ATOM 524 C THR A 31 1.276 -6.692 -4.934 1.00 11.15 C ATOM 525 O THR A 31 0.544 -7.506 -5.507 1.00 64.44 O ATOM 526 CB THR A 31 3.006 -8.204 -3.856 1.00 2.12 C ATOM 527 OG1 THR A 31 2.317 -9.423 -4.194 1.00 62.50 O ATOM 528 CG2 THR A 31 3.867 -8.448 -2.615 1.00 3.15 C ATOM 0 H THR A 31 0.845 -8.471 -2.566 1.00 45.33 H new ATOM 0 HA THR A 31 2.502 -6.175 -3.254 1.00 42.52 H new ATOM 0 HB THR A 31 3.655 -7.899 -4.677 1.00 2.12 H new ATOM 0 HG1 THR A 31 1.495 -9.209 -4.684 1.00 62.50 H new ATOM 0 HG21 THR A 31 4.574 -9.253 -2.815 1.00 3.15 H new ATOM 0 HG22 THR A 31 4.414 -7.538 -2.367 1.00 3.15 H new ATOM 0 HG23 THR A 31 3.227 -8.727 -1.778 1.00 3.15 H new ATOM 536 N VAL A 32 1.498 -5.462 -5.394 1.00 25.23 N ATOM 537 CA VAL A 32 0.887 -4.929 -6.607 1.00 33.20 C ATOM 538 C VAL A 32 1.913 -4.951 -7.754 1.00 12.13 C ATOM 539 O VAL A 32 3.002 -4.372 -7.628 1.00 15.52 O ATOM 540 CB VAL A 32 0.385 -3.469 -6.360 1.00 62.54 C ATOM 541 CG1 VAL A 32 -0.336 -2.910 -7.598 1.00 2.03 C ATOM 542 CG2 VAL A 32 -0.501 -3.384 -5.092 1.00 43.02 C ATOM 0 H VAL A 32 2.117 -4.799 -4.927 1.00 25.23 H new ATOM 0 HA VAL A 32 0.033 -5.548 -6.880 1.00 33.20 H new ATOM 0 HB VAL A 32 1.260 -2.843 -6.184 1.00 62.54 H new ATOM 0 HG11 VAL A 32 -0.673 -1.894 -7.395 1.00 2.03 H new ATOM 0 HG12 VAL A 32 0.349 -2.902 -8.446 1.00 2.03 H new ATOM 0 HG13 VAL A 32 -1.196 -3.537 -7.832 1.00 2.03 H new ATOM 0 HG21 VAL A 32 -0.834 -2.356 -4.949 1.00 43.02 H new ATOM 0 HG22 VAL A 32 -1.369 -4.033 -5.210 1.00 43.02 H new ATOM 0 HG23 VAL A 32 0.075 -3.703 -4.224 1.00 43.02 H new ATOM 552 N LYS A 33 1.567 -5.650 -8.846 1.00 32.53 N ATOM 553 CA LYS A 33 2.393 -5.708 -10.061 1.00 74.40 C ATOM 554 C LYS A 33 2.059 -4.506 -10.970 1.00 42.01 C ATOM 555 O LYS A 33 2.907 -3.645 -11.234 1.00 4.31 O ATOM 556 CB LYS A 33 2.145 -7.047 -10.819 1.00 23.05 C ATOM 557 CG LYS A 33 2.281 -8.322 -9.952 1.00 40.43 C ATOM 558 CD LYS A 33 2.043 -9.622 -10.756 1.00 43.00 C ATOM 559 CE LYS A 33 2.071 -10.879 -9.869 1.00 53.41 C ATOM 560 NZ LYS A 33 0.967 -10.883 -8.872 1.00 53.21 N ATOM 0 H LYS A 33 0.705 -6.192 -8.911 1.00 32.53 H new ATOM 0 HA LYS A 33 3.446 -5.662 -9.781 1.00 74.40 H new ATOM 0 HB2 LYS A 33 1.144 -7.024 -11.250 1.00 23.05 H new ATOM 0 HB3 LYS A 33 2.848 -7.113 -11.649 1.00 23.05 H new ATOM 0 HG2 LYS A 33 3.277 -8.351 -9.510 1.00 40.43 H new ATOM 0 HG3 LYS A 33 1.568 -8.274 -9.129 1.00 40.43 H new ATOM 0 HD2 LYS A 33 1.080 -9.560 -11.263 1.00 43.00 H new ATOM 0 HD3 LYS A 33 2.805 -9.711 -11.530 1.00 43.00 H new ATOM 0 HE2 LYS A 33 1.996 -11.767 -10.497 1.00 53.41 H new ATOM 0 HE3 LYS A 33 3.028 -10.935 -9.350 1.00 53.41 H new ATOM 0 HZ1 LYS A 33 1.351 -10.674 -7.928 1.00 53.21 H new ATOM 0 HZ2 LYS A 33 0.265 -10.159 -9.128 1.00 53.21 H new ATOM 0 HZ3 LYS A 33 0.512 -11.818 -8.862 1.00 53.21 H new ATOM 574 N THR A 34 0.797 -4.466 -11.430 1.00 24.11 N ATOM 575 CA THR A 34 0.299 -3.468 -12.398 1.00 12.52 C ATOM 576 C THR A 34 -0.927 -2.726 -11.835 1.00 23.22 C ATOM 577 O THR A 34 -1.363 -2.990 -10.703 1.00 52.30 O ATOM 578 CB THR A 34 -0.090 -4.170 -13.745 1.00 45.23 C ATOM 579 OG1 THR A 34 -1.106 -5.162 -13.495 1.00 52.40 O ATOM 580 CG2 THR A 34 1.124 -4.833 -14.430 1.00 24.51 C ATOM 0 H THR A 34 0.083 -5.133 -11.138 1.00 24.11 H new ATOM 0 HA THR A 34 1.095 -2.746 -12.580 1.00 12.52 H new ATOM 0 HB THR A 34 -0.468 -3.402 -14.420 1.00 45.23 H new ATOM 0 HG1 THR A 34 -1.350 -5.599 -14.337 1.00 52.40 H new ATOM 0 HG21 THR A 34 0.804 -5.306 -15.359 1.00 24.51 H new ATOM 0 HG22 THR A 34 1.877 -4.076 -14.649 1.00 24.51 H new ATOM 0 HG23 THR A 34 1.549 -5.586 -13.767 1.00 24.51 H new ATOM 588 N GLU A 35 -1.472 -1.802 -12.652 1.00 0.44 N ATOM 589 CA GLU A 35 -2.705 -1.038 -12.361 1.00 42.42 C ATOM 590 C GLU A 35 -3.871 -1.976 -11.987 1.00 21.32 C ATOM 591 O GLU A 35 -4.623 -1.714 -11.041 1.00 42.13 O ATOM 592 CB GLU A 35 -3.099 -0.237 -13.632 1.00 51.44 C ATOM 593 CG GLU A 35 -4.419 0.569 -13.536 1.00 65.23 C ATOM 594 CD GLU A 35 -5.055 0.852 -14.907 1.00 22.22 C ATOM 595 OE1 GLU A 35 -4.523 1.694 -15.662 1.00 0.22 O ATOM 596 OE2 GLU A 35 -6.099 0.241 -15.236 1.00 32.15 O ATOM 0 H GLU A 35 -1.059 -1.560 -13.553 1.00 0.44 H new ATOM 0 HA GLU A 35 -2.513 -0.374 -11.518 1.00 42.42 H new ATOM 0 HB2 GLU A 35 -2.290 0.453 -13.869 1.00 51.44 H new ATOM 0 HB3 GLU A 35 -3.180 -0.933 -14.467 1.00 51.44 H new ATOM 0 HG2 GLU A 35 -5.130 0.019 -12.919 1.00 65.23 H new ATOM 0 HG3 GLU A 35 -4.224 1.515 -13.031 1.00 65.23 H new ATOM 603 N ASP A 36 -3.957 -3.089 -12.741 1.00 62.41 N ATOM 604 CA ASP A 36 -5.024 -4.097 -12.620 1.00 21.35 C ATOM 605 C ASP A 36 -5.043 -4.740 -11.221 1.00 10.21 C ATOM 606 O ASP A 36 -6.118 -4.980 -10.658 1.00 60.33 O ATOM 607 CB ASP A 36 -4.833 -5.171 -13.722 1.00 73.41 C ATOM 608 CG ASP A 36 -5.948 -6.232 -13.745 1.00 23.12 C ATOM 609 OD1 ASP A 36 -7.071 -5.911 -14.186 1.00 1.51 O ATOM 610 OD2 ASP A 36 -5.712 -7.383 -13.331 1.00 73.53 O ATOM 0 H ASP A 36 -3.274 -3.315 -13.464 1.00 62.41 H new ATOM 0 HA ASP A 36 -5.988 -3.606 -12.754 1.00 21.35 H new ATOM 0 HB2 ASP A 36 -4.790 -4.679 -14.694 1.00 73.41 H new ATOM 0 HB3 ASP A 36 -3.874 -5.667 -13.573 1.00 73.41 H new ATOM 615 N GLU A 37 -3.842 -4.971 -10.662 1.00 34.10 N ATOM 616 CA GLU A 37 -3.666 -5.540 -9.314 1.00 23.50 C ATOM 617 C GLU A 37 -4.140 -4.556 -8.227 1.00 11.24 C ATOM 618 O GLU A 37 -4.852 -4.946 -7.299 1.00 22.33 O ATOM 619 CB GLU A 37 -2.169 -5.874 -9.100 1.00 35.35 C ATOM 620 CG GLU A 37 -1.595 -6.933 -10.063 1.00 54.25 C ATOM 621 CD GLU A 37 -2.005 -8.373 -9.715 1.00 50.21 C ATOM 622 OE1 GLU A 37 -3.099 -8.815 -10.118 1.00 12.15 O ATOM 623 OE2 GLU A 37 -1.227 -9.069 -9.028 1.00 72.35 O ATOM 0 H GLU A 37 -2.962 -4.767 -11.135 1.00 34.10 H new ATOM 0 HA GLU A 37 -4.269 -6.444 -9.235 1.00 23.50 H new ATOM 0 HB2 GLU A 37 -1.589 -4.957 -9.204 1.00 35.35 H new ATOM 0 HB3 GLU A 37 -2.032 -6.223 -8.076 1.00 35.35 H new ATOM 0 HG2 GLU A 37 -1.925 -6.706 -11.077 1.00 54.25 H new ATOM 0 HG3 GLU A 37 -0.507 -6.863 -10.059 1.00 54.25 H new ATOM 630 N LEU A 38 -3.741 -3.275 -8.380 1.00 54.23 N ATOM 631 CA LEU A 38 -4.049 -2.190 -7.422 1.00 24.45 C ATOM 632 C LEU A 38 -5.580 -2.026 -7.295 1.00 61.14 C ATOM 633 O LEU A 38 -6.133 -2.009 -6.186 1.00 23.22 O ATOM 634 CB LEU A 38 -3.345 -0.870 -7.908 1.00 35.11 C ATOM 635 CG LEU A 38 -3.098 0.285 -6.863 1.00 73.22 C ATOM 636 CD1 LEU A 38 -4.373 1.070 -6.507 1.00 52.04 C ATOM 637 CD2 LEU A 38 -2.409 -0.247 -5.590 1.00 72.01 C ATOM 0 H LEU A 38 -3.191 -2.961 -9.180 1.00 54.23 H new ATOM 0 HA LEU A 38 -3.668 -2.431 -6.429 1.00 24.45 H new ATOM 0 HB2 LEU A 38 -2.379 -1.147 -8.330 1.00 35.11 H new ATOM 0 HB3 LEU A 38 -3.941 -0.458 -8.722 1.00 35.11 H new ATOM 0 HG LEU A 38 -2.428 0.991 -7.354 1.00 73.22 H new ATOM 0 HD11 LEU A 38 -4.131 1.849 -5.784 1.00 52.04 H new ATOM 0 HD12 LEU A 38 -4.783 1.526 -7.408 1.00 52.04 H new ATOM 0 HD13 LEU A 38 -5.110 0.392 -6.077 1.00 52.04 H new ATOM 0 HD21 LEU A 38 -2.253 0.574 -4.890 1.00 72.01 H new ATOM 0 HD22 LEU A 38 -3.039 -1.005 -5.125 1.00 72.01 H new ATOM 0 HD23 LEU A 38 -1.447 -0.687 -5.854 1.00 72.01 H new ATOM 649 N LYS A 39 -6.242 -1.990 -8.464 1.00 20.33 N ATOM 650 CA LYS A 39 -7.705 -1.855 -8.578 1.00 13.01 C ATOM 651 C LYS A 39 -8.429 -3.090 -8.016 1.00 42.33 C ATOM 652 O LYS A 39 -9.452 -2.943 -7.349 1.00 0.53 O ATOM 653 CB LYS A 39 -8.104 -1.633 -10.057 1.00 3.00 C ATOM 654 CG LYS A 39 -7.585 -0.307 -10.652 1.00 63.04 C ATOM 655 CD LYS A 39 -7.739 -0.224 -12.189 1.00 24.23 C ATOM 656 CE LYS A 39 -9.194 -0.277 -12.682 1.00 3.42 C ATOM 657 NZ LYS A 39 -9.265 -0.359 -14.170 1.00 40.43 N ATOM 0 H LYS A 39 -5.771 -2.055 -9.367 1.00 20.33 H new ATOM 0 HA LYS A 39 -8.009 -0.990 -7.988 1.00 13.01 H new ATOM 0 HB2 LYS A 39 -7.723 -2.462 -10.654 1.00 3.00 H new ATOM 0 HB3 LYS A 39 -9.191 -1.655 -10.137 1.00 3.00 H new ATOM 0 HG2 LYS A 39 -8.123 0.523 -10.195 1.00 63.04 H new ATOM 0 HG3 LYS A 39 -6.533 -0.187 -10.392 1.00 63.04 H new ATOM 0 HD2 LYS A 39 -7.283 0.702 -12.539 1.00 24.23 H new ATOM 0 HD3 LYS A 39 -7.184 -1.045 -12.643 1.00 24.23 H new ATOM 0 HE2 LYS A 39 -9.696 -1.140 -12.245 1.00 3.42 H new ATOM 0 HE3 LYS A 39 -9.728 0.610 -12.340 1.00 3.42 H new ATOM 0 HZ1 LYS A 39 -9.950 0.339 -14.524 1.00 40.43 H new ATOM 0 HZ2 LYS A 39 -8.327 -0.160 -14.574 1.00 40.43 H new ATOM 0 HZ3 LYS A 39 -9.567 -1.314 -14.451 1.00 40.43 H new ATOM 671 N LYS A 40 -7.870 -4.292 -8.281 1.00 54.21 N ATOM 672 CA LYS A 40 -8.408 -5.576 -7.779 1.00 13.42 C ATOM 673 C LYS A 40 -8.534 -5.552 -6.251 1.00 51.14 C ATOM 674 O LYS A 40 -9.598 -5.852 -5.696 1.00 52.21 O ATOM 675 CB LYS A 40 -7.489 -6.759 -8.225 1.00 40.23 C ATOM 676 CG LYS A 40 -7.661 -8.060 -7.405 1.00 23.42 C ATOM 677 CD LYS A 40 -6.706 -9.190 -7.832 1.00 41.54 C ATOM 678 CE LYS A 40 -6.735 -10.373 -6.849 1.00 23.13 C ATOM 679 NZ LYS A 40 -8.119 -10.863 -6.598 1.00 41.05 N ATOM 0 H LYS A 40 -7.031 -4.399 -8.851 1.00 54.21 H new ATOM 0 HA LYS A 40 -9.401 -5.720 -8.204 1.00 13.42 H new ATOM 0 HB2 LYS A 40 -7.687 -6.979 -9.274 1.00 40.23 H new ATOM 0 HB3 LYS A 40 -6.449 -6.438 -8.157 1.00 40.23 H new ATOM 0 HG2 LYS A 40 -7.499 -7.838 -6.350 1.00 23.42 H new ATOM 0 HG3 LYS A 40 -8.689 -8.408 -7.504 1.00 23.42 H new ATOM 0 HD2 LYS A 40 -6.980 -9.539 -8.827 1.00 41.54 H new ATOM 0 HD3 LYS A 40 -5.690 -8.800 -7.900 1.00 41.54 H new ATOM 0 HE2 LYS A 40 -6.129 -11.188 -7.246 1.00 23.13 H new ATOM 0 HE3 LYS A 40 -6.282 -10.070 -5.905 1.00 23.13 H new ATOM 0 HZ1 LYS A 40 -8.080 -11.813 -6.176 1.00 41.05 H new ATOM 0 HZ2 LYS A 40 -8.604 -10.214 -5.946 1.00 41.05 H new ATOM 0 HZ3 LYS A 40 -8.641 -10.905 -7.497 1.00 41.05 H new ATOM 693 N TYR A 41 -7.433 -5.148 -5.597 1.00 55.21 N ATOM 694 CA TYR A 41 -7.356 -5.085 -4.137 1.00 30.25 C ATOM 695 C TYR A 41 -8.374 -4.078 -3.582 1.00 62.23 C ATOM 696 O TYR A 41 -9.053 -4.362 -2.593 1.00 21.23 O ATOM 697 CB TYR A 41 -5.922 -4.728 -3.680 1.00 70.30 C ATOM 698 CG TYR A 41 -4.861 -5.787 -4.033 1.00 0.54 C ATOM 699 CD1 TYR A 41 -5.105 -7.145 -3.810 1.00 53.33 C ATOM 700 CD2 TYR A 41 -3.614 -5.436 -4.560 1.00 10.24 C ATOM 701 CE1 TYR A 41 -4.158 -8.104 -4.115 1.00 70.43 C ATOM 702 CE2 TYR A 41 -2.663 -6.395 -4.867 1.00 22.42 C ATOM 703 CZ TYR A 41 -2.938 -7.726 -4.638 1.00 73.41 C ATOM 704 OH TYR A 41 -1.994 -8.686 -4.940 1.00 64.44 O ATOM 0 H TYR A 41 -6.576 -4.858 -6.068 1.00 55.21 H new ATOM 0 HA TYR A 41 -7.603 -6.069 -3.739 1.00 30.25 H new ATOM 0 HB2 TYR A 41 -5.635 -3.779 -4.132 1.00 70.30 H new ATOM 0 HB3 TYR A 41 -5.924 -4.579 -2.600 1.00 70.30 H new ATOM 0 HD1 TYR A 41 -6.052 -7.451 -3.391 1.00 53.33 H new ATOM 0 HD2 TYR A 41 -3.388 -4.394 -4.731 1.00 10.24 H new ATOM 0 HE1 TYR A 41 -4.372 -9.149 -3.944 1.00 70.43 H new ATOM 0 HE2 TYR A 41 -1.711 -6.101 -5.284 1.00 22.42 H new ATOM 0 HH TYR A 41 -1.140 -8.252 -5.147 1.00 64.44 H new ATOM 714 N LEU A 42 -8.490 -2.918 -4.256 1.00 45.22 N ATOM 715 CA LEU A 42 -9.450 -1.863 -3.880 1.00 12.42 C ATOM 716 C LEU A 42 -10.930 -2.315 -4.037 1.00 13.41 C ATOM 717 O LEU A 42 -11.786 -1.847 -3.290 1.00 60.32 O ATOM 718 CB LEU A 42 -9.187 -0.566 -4.686 1.00 60.21 C ATOM 719 CG LEU A 42 -7.818 0.157 -4.443 1.00 61.21 C ATOM 720 CD1 LEU A 42 -7.728 1.456 -5.277 1.00 62.30 C ATOM 721 CD2 LEU A 42 -7.567 0.436 -2.941 1.00 43.21 C ATOM 0 H LEU A 42 -7.924 -2.687 -5.072 1.00 45.22 H new ATOM 0 HA LEU A 42 -9.292 -1.659 -2.821 1.00 12.42 H new ATOM 0 HB2 LEU A 42 -9.260 -0.806 -5.747 1.00 60.21 H new ATOM 0 HB3 LEU A 42 -9.987 0.140 -4.463 1.00 60.21 H new ATOM 0 HG LEU A 42 -7.029 -0.518 -4.776 1.00 61.21 H new ATOM 0 HD11 LEU A 42 -6.770 1.941 -5.093 1.00 62.30 H new ATOM 0 HD12 LEU A 42 -7.815 1.215 -6.336 1.00 62.30 H new ATOM 0 HD13 LEU A 42 -8.536 2.129 -4.991 1.00 62.30 H new ATOM 0 HD21 LEU A 42 -6.607 0.938 -2.820 1.00 43.21 H new ATOM 0 HD22 LEU A 42 -8.361 1.073 -2.552 1.00 43.21 H new ATOM 0 HD23 LEU A 42 -7.556 -0.506 -2.393 1.00 43.21 H new ATOM 733 N GLU A 43 -11.223 -3.203 -5.016 1.00 64.05 N ATOM 734 CA GLU A 43 -12.572 -3.815 -5.171 1.00 12.03 C ATOM 735 C GLU A 43 -12.931 -4.667 -3.943 1.00 54.12 C ATOM 736 O GLU A 43 -14.062 -4.593 -3.431 1.00 52.10 O ATOM 737 CB GLU A 43 -12.664 -4.676 -6.457 1.00 32.14 C ATOM 738 CG GLU A 43 -12.491 -3.885 -7.765 1.00 52.31 C ATOM 739 CD GLU A 43 -12.577 -4.766 -9.021 1.00 62.15 C ATOM 740 OE1 GLU A 43 -11.606 -5.490 -9.316 1.00 65.42 O ATOM 741 OE2 GLU A 43 -13.618 -4.748 -9.712 1.00 23.05 O ATOM 0 H GLU A 43 -10.546 -3.514 -5.712 1.00 64.05 H new ATOM 0 HA GLU A 43 -13.288 -2.998 -5.257 1.00 12.03 H new ATOM 0 HB2 GLU A 43 -11.902 -5.454 -6.414 1.00 32.14 H new ATOM 0 HB3 GLU A 43 -13.631 -5.178 -6.475 1.00 32.14 H new ATOM 0 HG2 GLU A 43 -13.257 -3.112 -7.818 1.00 52.31 H new ATOM 0 HG3 GLU A 43 -11.526 -3.378 -7.750 1.00 52.31 H new ATOM 748 N GLU A 44 -11.948 -5.461 -3.472 1.00 52.02 N ATOM 749 CA GLU A 44 -12.066 -6.199 -2.202 1.00 13.24 C ATOM 750 C GLU A 44 -12.306 -5.219 -1.035 1.00 52.11 C ATOM 751 O GLU A 44 -13.128 -5.478 -0.173 1.00 13.41 O ATOM 752 CB GLU A 44 -10.807 -7.093 -1.934 1.00 53.40 C ATOM 753 CG GLU A 44 -10.809 -8.482 -2.629 1.00 1.42 C ATOM 754 CD GLU A 44 -10.597 -8.473 -4.158 1.00 41.44 C ATOM 755 OE1 GLU A 44 -11.529 -8.105 -4.897 1.00 45.31 O ATOM 756 OE2 GLU A 44 -9.517 -8.905 -4.632 1.00 3.24 O ATOM 0 H GLU A 44 -11.062 -5.606 -3.955 1.00 52.02 H new ATOM 0 HA GLU A 44 -12.924 -6.866 -2.279 1.00 13.24 H new ATOM 0 HB2 GLU A 44 -9.921 -6.547 -2.257 1.00 53.40 H new ATOM 0 HB3 GLU A 44 -10.714 -7.245 -0.859 1.00 53.40 H new ATOM 0 HG2 GLU A 44 -10.028 -9.093 -2.177 1.00 1.42 H new ATOM 0 HG3 GLU A 44 -11.760 -8.971 -2.417 1.00 1.42 H new ATOM 763 N PHE A 45 -11.603 -4.082 -1.048 1.00 52.10 N ATOM 764 CA PHE A 45 -11.704 -3.065 0.023 1.00 43.14 C ATOM 765 C PHE A 45 -13.002 -2.227 -0.050 1.00 73.04 C ATOM 766 O PHE A 45 -13.380 -1.600 0.944 1.00 55.03 O ATOM 767 CB PHE A 45 -10.447 -2.152 -0.001 1.00 31.31 C ATOM 768 CG PHE A 45 -9.110 -2.892 0.163 1.00 51.01 C ATOM 769 CD1 PHE A 45 -9.032 -4.152 0.783 1.00 52.51 C ATOM 770 CD2 PHE A 45 -7.932 -2.336 -0.329 1.00 10.02 C ATOM 771 CE1 PHE A 45 -7.821 -4.812 0.899 1.00 65.32 C ATOM 772 CE2 PHE A 45 -6.729 -2.998 -0.210 1.00 10.41 C ATOM 773 CZ PHE A 45 -6.672 -4.236 0.402 1.00 41.31 C ATOM 0 H PHE A 45 -10.950 -3.835 -1.792 1.00 52.10 H new ATOM 0 HA PHE A 45 -11.750 -3.599 0.972 1.00 43.14 H new ATOM 0 HB2 PHE A 45 -10.430 -1.605 -0.944 1.00 31.31 H new ATOM 0 HB3 PHE A 45 -10.537 -1.413 0.795 1.00 31.31 H new ATOM 0 HD1 PHE A 45 -9.929 -4.610 1.174 1.00 52.51 H new ATOM 0 HD2 PHE A 45 -7.961 -1.370 -0.812 1.00 10.02 H new ATOM 0 HE1 PHE A 45 -7.777 -5.778 1.379 1.00 65.32 H new ATOM 0 HE2 PHE A 45 -5.827 -2.547 -0.597 1.00 10.41 H new ATOM 0 HZ PHE A 45 -5.727 -4.752 0.491 1.00 41.31 H new ATOM 783 N ARG A 46 -13.679 -2.206 -1.221 1.00 51.32 N ATOM 784 CA ARG A 46 -14.961 -1.475 -1.396 1.00 24.54 C ATOM 785 C ARG A 46 -16.125 -2.210 -0.698 1.00 5.30 C ATOM 786 O ARG A 46 -16.879 -1.592 0.068 1.00 2.12 O ATOM 787 CB ARG A 46 -15.289 -1.233 -2.902 1.00 30.44 C ATOM 788 CG ARG A 46 -14.545 -0.031 -3.529 1.00 23.32 C ATOM 789 CD ARG A 46 -14.993 0.274 -4.976 1.00 73.34 C ATOM 790 NE ARG A 46 -16.458 0.477 -5.100 1.00 74.43 N ATOM 791 CZ ARG A 46 -17.113 1.653 -4.952 1.00 15.21 C ATOM 792 NH1 ARG A 46 -16.467 2.777 -4.662 1.00 20.14 N ATOM 793 NH2 ARG A 46 -18.428 1.691 -5.100 1.00 52.40 N ATOM 0 H ARG A 46 -13.360 -2.687 -2.062 1.00 51.32 H new ATOM 0 HA ARG A 46 -14.839 -0.501 -0.922 1.00 24.54 H new ATOM 0 HB2 ARG A 46 -15.041 -2.133 -3.465 1.00 30.44 H new ATOM 0 HB3 ARG A 46 -16.363 -1.076 -3.008 1.00 30.44 H new ATOM 0 HG2 ARG A 46 -14.709 0.852 -2.911 1.00 23.32 H new ATOM 0 HG3 ARG A 46 -13.474 -0.231 -3.522 1.00 23.32 H new ATOM 0 HD2 ARG A 46 -14.477 1.167 -5.329 1.00 73.34 H new ATOM 0 HD3 ARG A 46 -14.690 -0.547 -5.625 1.00 73.34 H new ATOM 0 HE ARG A 46 -17.023 -0.344 -5.316 1.00 74.43 H new ATOM 0 HH11 ARG A 46 -15.454 2.767 -4.546 1.00 20.14 H new ATOM 0 HH12 ARG A 46 -16.984 3.650 -4.556 1.00 20.14 H new ATOM 0 HH21 ARG A 46 -18.941 0.838 -5.324 1.00 52.40 H new ATOM 0 HH22 ARG A 46 -18.928 2.573 -4.990 1.00 52.40 H new ATOM 807 N LYS A 47 -16.241 -3.530 -0.942 1.00 54.43 N ATOM 808 CA LYS A 47 -17.331 -4.365 -0.372 1.00 71.40 C ATOM 809 C LYS A 47 -17.322 -4.298 1.176 1.00 53.42 C ATOM 810 O LYS A 47 -18.372 -4.374 1.817 1.00 15.23 O ATOM 811 CB LYS A 47 -17.194 -5.850 -0.841 1.00 13.13 C ATOM 812 CG LYS A 47 -15.969 -6.576 -0.248 1.00 34.53 C ATOM 813 CD LYS A 47 -15.748 -8.024 -0.736 1.00 71.45 C ATOM 814 CE LYS A 47 -14.475 -8.635 -0.108 1.00 3.51 C ATOM 815 NZ LYS A 47 -14.255 -10.051 -0.513 1.00 14.03 N ATOM 0 H LYS A 47 -15.592 -4.049 -1.533 1.00 54.43 H new ATOM 0 HA LYS A 47 -18.280 -3.969 -0.734 1.00 71.40 H new ATOM 0 HB2 LYS A 47 -18.097 -6.394 -0.564 1.00 13.13 H new ATOM 0 HB3 LYS A 47 -17.128 -5.874 -1.929 1.00 13.13 H new ATOM 0 HG2 LYS A 47 -15.077 -5.994 -0.480 1.00 34.53 H new ATOM 0 HG3 LYS A 47 -16.068 -6.589 0.837 1.00 34.53 H new ATOM 0 HD2 LYS A 47 -16.613 -8.634 -0.478 1.00 71.45 H new ATOM 0 HD3 LYS A 47 -15.663 -8.036 -1.823 1.00 71.45 H new ATOM 0 HE2 LYS A 47 -13.610 -8.040 -0.400 1.00 3.51 H new ATOM 0 HE3 LYS A 47 -14.549 -8.580 0.978 1.00 3.51 H new ATOM 0 HZ1 LYS A 47 -13.389 -10.410 -0.063 1.00 14.03 H new ATOM 0 HZ2 LYS A 47 -15.066 -10.628 -0.212 1.00 14.03 H new ATOM 0 HZ3 LYS A 47 -14.156 -10.105 -1.547 1.00 14.03 H new ATOM 829 N GLU A 48 -16.113 -4.126 1.748 1.00 23.42 N ATOM 830 CA GLU A 48 -15.885 -4.151 3.201 1.00 71.24 C ATOM 831 C GLU A 48 -15.348 -2.791 3.693 1.00 14.03 C ATOM 832 O GLU A 48 -14.634 -2.723 4.692 1.00 54.32 O ATOM 833 CB GLU A 48 -14.892 -5.305 3.531 1.00 62.13 C ATOM 834 CG GLU A 48 -13.467 -5.117 2.949 1.00 15.33 C ATOM 835 CD GLU A 48 -12.563 -6.355 3.091 1.00 4.42 C ATOM 836 OE1 GLU A 48 -12.623 -7.025 4.138 1.00 31.13 O ATOM 837 OE2 GLU A 48 -11.778 -6.654 2.162 1.00 21.24 O ATOM 0 H GLU A 48 -15.263 -3.965 1.207 1.00 23.42 H new ATOM 0 HA GLU A 48 -16.827 -4.330 3.719 1.00 71.24 H new ATOM 0 HB2 GLU A 48 -14.818 -5.404 4.614 1.00 62.13 H new ATOM 0 HB3 GLU A 48 -15.304 -6.241 3.153 1.00 62.13 H new ATOM 0 HG2 GLU A 48 -13.548 -4.859 1.893 1.00 15.33 H new ATOM 0 HG3 GLU A 48 -12.991 -4.273 3.448 1.00 15.33 H new ATOM 844 N SER A 49 -15.756 -1.689 3.022 1.00 15.13 N ATOM 845 CA SER A 49 -15.300 -0.320 3.379 1.00 34.30 C ATOM 846 C SER A 49 -15.892 0.217 4.716 1.00 12.15 C ATOM 847 O SER A 49 -15.748 1.406 5.025 1.00 71.31 O ATOM 848 CB SER A 49 -15.579 0.643 2.195 1.00 32.14 C ATOM 849 OG SER A 49 -16.956 0.653 1.836 1.00 64.55 O ATOM 0 H SER A 49 -16.399 -1.718 2.231 1.00 15.13 H new ATOM 0 HA SER A 49 -14.226 -0.375 3.559 1.00 34.30 H new ATOM 0 HB2 SER A 49 -15.266 1.652 2.465 1.00 32.14 H new ATOM 0 HB3 SER A 49 -14.981 0.344 1.334 1.00 32.14 H new ATOM 0 HG SER A 49 -17.138 -0.086 1.218 1.00 64.55 H new ATOM 855 N GLN A 50 -16.539 -0.679 5.497 1.00 21.33 N ATOM 856 CA GLN A 50 -17.013 -0.403 6.872 1.00 33.03 C ATOM 857 C GLN A 50 -15.843 0.016 7.808 1.00 43.41 C ATOM 858 O GLN A 50 -15.189 -0.831 8.437 1.00 35.14 O ATOM 859 CB GLN A 50 -17.785 -1.653 7.422 1.00 21.42 C ATOM 860 CG GLN A 50 -17.001 -2.990 7.366 1.00 45.40 C ATOM 861 CD GLN A 50 -17.821 -4.204 7.801 1.00 1.32 C ATOM 862 OE1 GLN A 50 -18.419 -4.894 6.976 1.00 62.52 O ATOM 863 NE2 GLN A 50 -17.894 -4.449 9.105 1.00 65.54 N ATOM 0 H GLN A 50 -16.749 -1.627 5.185 1.00 21.33 H new ATOM 0 HA GLN A 50 -17.700 0.443 6.844 1.00 33.03 H new ATOM 0 HB2 GLN A 50 -18.068 -1.459 8.457 1.00 21.42 H new ATOM 0 HB3 GLN A 50 -18.709 -1.768 6.855 1.00 21.42 H new ATOM 0 HG2 GLN A 50 -16.645 -3.149 6.348 1.00 45.40 H new ATOM 0 HG3 GLN A 50 -16.120 -2.911 8.003 1.00 45.40 H new ATOM 0 HE21 GLN A 50 -17.386 -3.859 9.764 1.00 65.54 H new ATOM 0 HE22 GLN A 50 -18.458 -5.227 9.447 1.00 65.54 H new ATOM 872 N ASN A 51 -15.579 1.343 7.844 1.00 43.45 N ATOM 873 CA ASN A 51 -14.457 1.954 8.590 1.00 72.15 C ATOM 874 C ASN A 51 -13.105 1.327 8.170 1.00 1.33 C ATOM 875 O ASN A 51 -12.539 0.471 8.873 1.00 60.35 O ATOM 876 CB ASN A 51 -14.675 1.882 10.133 1.00 74.04 C ATOM 877 CG ASN A 51 -15.900 2.667 10.618 1.00 72.05 C ATOM 878 OD1 ASN A 51 -16.284 3.682 10.034 1.00 72.41 O ATOM 879 ND2 ASN A 51 -16.522 2.198 11.692 1.00 61.52 N ATOM 0 H ASN A 51 -16.149 2.028 7.348 1.00 43.45 H new ATOM 0 HA ASN A 51 -14.426 3.012 8.329 1.00 72.15 H new ATOM 0 HB2 ASN A 51 -14.783 0.838 10.428 1.00 74.04 H new ATOM 0 HB3 ASN A 51 -13.787 2.265 10.635 1.00 74.04 H new ATOM 0 HD21 ASN A 51 -17.343 2.680 12.057 1.00 61.52 H new ATOM 0 HD22 ASN A 51 -16.179 1.355 12.153 1.00 61.52 H new ATOM 886 N ILE A 52 -12.619 1.744 6.992 1.00 5.13 N ATOM 887 CA ILE A 52 -11.404 1.187 6.375 1.00 64.24 C ATOM 888 C ILE A 52 -10.373 2.296 6.085 1.00 12.12 C ATOM 889 O ILE A 52 -10.725 3.466 5.870 1.00 2.31 O ATOM 890 CB ILE A 52 -11.756 0.394 5.054 1.00 10.51 C ATOM 891 CG1 ILE A 52 -10.596 -0.561 4.629 1.00 54.31 C ATOM 892 CG2 ILE A 52 -12.126 1.351 3.886 1.00 73.13 C ATOM 893 CD1 ILE A 52 -10.951 -1.524 3.509 1.00 21.44 C ATOM 0 H ILE A 52 -13.058 2.479 6.438 1.00 5.13 H new ATOM 0 HA ILE A 52 -10.959 0.489 7.084 1.00 64.24 H new ATOM 0 HB ILE A 52 -12.632 -0.215 5.280 1.00 10.51 H new ATOM 0 HG12 ILE A 52 -9.743 0.041 4.317 1.00 54.31 H new ATOM 0 HG13 ILE A 52 -10.279 -1.136 5.499 1.00 54.31 H new ATOM 0 HG21 ILE A 52 -12.361 0.766 2.997 1.00 73.13 H new ATOM 0 HG22 ILE A 52 -12.993 1.949 4.166 1.00 73.13 H new ATOM 0 HG23 ILE A 52 -11.284 2.010 3.675 1.00 73.13 H new ATOM 0 HD11 ILE A 52 -10.088 -2.148 3.279 1.00 21.44 H new ATOM 0 HD12 ILE A 52 -11.782 -2.156 3.822 1.00 21.44 H new ATOM 0 HD13 ILE A 52 -11.238 -0.960 2.621 1.00 21.44 H new ATOM 905 N LYS A 53 -9.097 1.906 6.111 1.00 73.13 N ATOM 906 CA LYS A 53 -7.954 2.745 5.735 1.00 32.24 C ATOM 907 C LYS A 53 -6.996 1.875 4.919 1.00 54.53 C ATOM 908 O LYS A 53 -6.703 0.734 5.312 1.00 42.10 O ATOM 909 CB LYS A 53 -7.235 3.299 7.003 1.00 50.02 C ATOM 910 CG LYS A 53 -8.070 4.288 7.848 1.00 1.32 C ATOM 911 CD LYS A 53 -7.457 4.559 9.243 1.00 41.34 C ATOM 912 CE LYS A 53 -8.337 5.489 10.096 1.00 74.30 C ATOM 913 NZ LYS A 53 -7.985 5.426 11.541 1.00 24.32 N ATOM 0 H LYS A 53 -8.821 0.969 6.403 1.00 73.13 H new ATOM 0 HA LYS A 53 -8.290 3.601 5.150 1.00 32.24 H new ATOM 0 HB2 LYS A 53 -6.946 2.459 7.635 1.00 50.02 H new ATOM 0 HB3 LYS A 53 -6.316 3.796 6.693 1.00 50.02 H new ATOM 0 HG2 LYS A 53 -8.162 5.231 7.308 1.00 1.32 H new ATOM 0 HG3 LYS A 53 -9.078 3.891 7.971 1.00 1.32 H new ATOM 0 HD2 LYS A 53 -7.318 3.613 9.766 1.00 41.34 H new ATOM 0 HD3 LYS A 53 -6.470 5.005 9.123 1.00 41.34 H new ATOM 0 HE2 LYS A 53 -8.229 6.514 9.742 1.00 74.30 H new ATOM 0 HE3 LYS A 53 -9.384 5.215 9.966 1.00 74.30 H new ATOM 0 HZ1 LYS A 53 -8.603 6.068 12.077 1.00 24.32 H new ATOM 0 HZ2 LYS A 53 -8.112 4.454 11.887 1.00 24.32 H new ATOM 0 HZ3 LYS A 53 -6.993 5.712 11.670 1.00 24.32 H new ATOM 927 N VAL A 54 -6.537 2.392 3.776 1.00 4.42 N ATOM 928 CA VAL A 54 -5.546 1.718 2.911 1.00 64.22 C ATOM 929 C VAL A 54 -4.279 2.590 2.814 1.00 4.32 C ATOM 930 O VAL A 54 -4.364 3.812 2.829 1.00 13.11 O ATOM 931 CB VAL A 54 -6.146 1.429 1.477 1.00 11.02 C ATOM 932 CG1 VAL A 54 -5.144 0.681 0.557 1.00 43.05 C ATOM 933 CG2 VAL A 54 -7.489 0.659 1.582 1.00 12.54 C ATOM 0 H VAL A 54 -6.841 3.297 3.416 1.00 4.42 H new ATOM 0 HA VAL A 54 -5.285 0.756 3.352 1.00 64.22 H new ATOM 0 HB VAL A 54 -6.340 2.396 1.013 1.00 11.02 H new ATOM 0 HG11 VAL A 54 -5.604 0.506 -0.416 1.00 43.05 H new ATOM 0 HG12 VAL A 54 -4.246 1.285 0.430 1.00 43.05 H new ATOM 0 HG13 VAL A 54 -4.878 -0.274 1.009 1.00 43.05 H new ATOM 0 HG21 VAL A 54 -7.881 0.473 0.582 1.00 12.54 H new ATOM 0 HG22 VAL A 54 -7.325 -0.291 2.090 1.00 12.54 H new ATOM 0 HG23 VAL A 54 -8.206 1.254 2.148 1.00 12.54 H new ATOM 943 N LEU A 55 -3.110 1.942 2.792 1.00 44.12 N ATOM 944 CA LEU A 55 -1.800 2.585 2.574 1.00 10.20 C ATOM 945 C LEU A 55 -1.163 1.959 1.334 1.00 21.33 C ATOM 946 O LEU A 55 -1.078 0.753 1.256 1.00 51.25 O ATOM 947 CB LEU A 55 -0.888 2.362 3.814 1.00 22.15 C ATOM 948 CG LEU A 55 0.608 2.810 3.675 1.00 1.53 C ATOM 949 CD1 LEU A 55 0.753 4.326 3.448 1.00 24.10 C ATOM 950 CD2 LEU A 55 1.444 2.336 4.878 1.00 74.03 C ATOM 0 H LEU A 55 -3.041 0.933 2.928 1.00 44.12 H new ATOM 0 HA LEU A 55 -1.925 3.658 2.429 1.00 10.20 H new ATOM 0 HB2 LEU A 55 -1.326 2.894 4.659 1.00 22.15 H new ATOM 0 HB3 LEU A 55 -0.904 1.301 4.062 1.00 22.15 H new ATOM 0 HG LEU A 55 1.000 2.326 2.781 1.00 1.53 H new ATOM 0 HD11 LEU A 55 1.809 4.581 3.359 1.00 24.10 H new ATOM 0 HD12 LEU A 55 0.233 4.608 2.533 1.00 24.10 H new ATOM 0 HD13 LEU A 55 0.320 4.863 4.292 1.00 24.10 H new ATOM 0 HD21 LEU A 55 2.477 2.661 4.754 1.00 74.03 H new ATOM 0 HD22 LEU A 55 1.037 2.763 5.795 1.00 74.03 H new ATOM 0 HD23 LEU A 55 1.411 1.248 4.938 1.00 74.03 H new ATOM 962 N ILE A 56 -0.740 2.775 0.365 1.00 55.15 N ATOM 963 CA ILE A 56 -0.092 2.299 -0.872 1.00 72.24 C ATOM 964 C ILE A 56 1.343 2.862 -0.949 1.00 22.45 C ATOM 965 O ILE A 56 1.524 4.081 -1.018 1.00 22.21 O ATOM 966 CB ILE A 56 -0.928 2.718 -2.149 1.00 74.03 C ATOM 967 CG1 ILE A 56 -2.396 2.178 -2.051 1.00 44.32 C ATOM 968 CG2 ILE A 56 -0.247 2.222 -3.447 1.00 14.40 C ATOM 969 CD1 ILE A 56 -3.333 2.618 -3.169 1.00 0.11 C ATOM 0 H ILE A 56 -0.835 3.789 0.411 1.00 55.15 H new ATOM 0 HA ILE A 56 -0.049 1.210 -0.851 1.00 72.24 H new ATOM 0 HB ILE A 56 -0.965 3.807 -2.185 1.00 74.03 H new ATOM 0 HG12 ILE A 56 -2.364 1.089 -2.036 1.00 44.32 H new ATOM 0 HG13 ILE A 56 -2.819 2.498 -1.099 1.00 44.32 H new ATOM 0 HG21 ILE A 56 -0.843 2.524 -4.309 1.00 14.40 H new ATOM 0 HG22 ILE A 56 0.749 2.657 -3.524 1.00 14.40 H new ATOM 0 HG23 ILE A 56 -0.167 1.135 -3.424 1.00 14.40 H new ATOM 0 HD11 ILE A 56 -4.322 2.189 -3.005 1.00 0.11 H new ATOM 0 HD12 ILE A 56 -3.406 3.706 -3.176 1.00 0.11 H new ATOM 0 HD13 ILE A 56 -2.943 2.274 -4.127 1.00 0.11 H new ATOM 981 N LEU A 57 2.352 1.962 -0.921 1.00 43.34 N ATOM 982 CA LEU A 57 3.779 2.332 -1.016 1.00 5.00 C ATOM 983 C LEU A 57 4.237 2.083 -2.455 1.00 24.34 C ATOM 984 O LEU A 57 4.308 0.929 -2.885 1.00 75.44 O ATOM 985 CB LEU A 57 4.674 1.506 -0.034 1.00 63.43 C ATOM 986 CG LEU A 57 4.417 1.667 1.503 1.00 64.31 C ATOM 987 CD1 LEU A 57 4.271 3.141 1.907 1.00 24.21 C ATOM 988 CD2 LEU A 57 3.223 0.822 1.979 1.00 45.04 C ATOM 0 H LEU A 57 2.197 0.958 -0.832 1.00 43.34 H new ATOM 0 HA LEU A 57 3.885 3.381 -0.739 1.00 5.00 H new ATOM 0 HB2 LEU A 57 4.559 0.451 -0.284 1.00 63.43 H new ATOM 0 HB3 LEU A 57 5.714 1.768 -0.228 1.00 63.43 H new ATOM 0 HG LEU A 57 5.300 1.282 2.013 1.00 64.31 H new ATOM 0 HD11 LEU A 57 4.094 3.208 2.980 1.00 24.21 H new ATOM 0 HD12 LEU A 57 5.185 3.679 1.655 1.00 24.21 H new ATOM 0 HD13 LEU A 57 3.430 3.583 1.372 1.00 24.21 H new ATOM 0 HD21 LEU A 57 3.081 0.964 3.050 1.00 45.04 H new ATOM 0 HD22 LEU A 57 2.323 1.133 1.449 1.00 45.04 H new ATOM 0 HD23 LEU A 57 3.418 -0.231 1.775 1.00 45.04 H new ATOM 1000 N VAL A 58 4.566 3.154 -3.178 1.00 23.43 N ATOM 1001 CA VAL A 58 4.880 3.096 -4.614 1.00 15.31 C ATOM 1002 C VAL A 58 6.380 3.341 -4.850 1.00 14.53 C ATOM 1003 O VAL A 58 6.991 4.165 -4.175 1.00 2.31 O ATOM 1004 CB VAL A 58 4.018 4.146 -5.405 1.00 11.30 C ATOM 1005 CG1 VAL A 58 2.509 3.883 -5.209 1.00 43.14 C ATOM 1006 CG2 VAL A 58 4.363 5.591 -5.007 1.00 41.14 C ATOM 0 H VAL A 58 4.624 4.094 -2.785 1.00 23.43 H new ATOM 0 HA VAL A 58 4.635 2.100 -4.981 1.00 15.31 H new ATOM 0 HB VAL A 58 4.261 4.026 -6.461 1.00 11.30 H new ATOM 0 HG11 VAL A 58 1.935 4.623 -5.767 1.00 43.14 H new ATOM 0 HG12 VAL A 58 2.263 2.885 -5.572 1.00 43.14 H new ATOM 0 HG13 VAL A 58 2.262 3.955 -4.150 1.00 43.14 H new ATOM 0 HG21 VAL A 58 3.744 6.283 -5.578 1.00 41.14 H new ATOM 0 HG22 VAL A 58 4.175 5.730 -3.942 1.00 41.14 H new ATOM 0 HG23 VAL A 58 5.414 5.785 -5.219 1.00 41.14 H new ATOM 1016 N SER A 59 6.967 2.622 -5.809 1.00 30.53 N ATOM 1017 CA SER A 59 8.394 2.775 -6.164 1.00 41.41 C ATOM 1018 C SER A 59 8.594 3.711 -7.371 1.00 51.31 C ATOM 1019 O SER A 59 9.724 3.916 -7.827 1.00 30.22 O ATOM 1020 CB SER A 59 8.996 1.381 -6.402 1.00 12.13 C ATOM 1021 OG SER A 59 8.950 0.605 -5.207 1.00 54.54 O ATOM 0 H SER A 59 6.477 1.919 -6.363 1.00 30.53 H new ATOM 0 HA SER A 59 8.920 3.252 -5.337 1.00 41.41 H new ATOM 0 HB2 SER A 59 8.447 0.872 -7.194 1.00 12.13 H new ATOM 0 HB3 SER A 59 10.028 1.477 -6.740 1.00 12.13 H new ATOM 0 HG SER A 59 8.023 0.352 -5.017 1.00 54.54 H new ATOM 1027 N ASN A 60 7.489 4.293 -7.871 1.00 11.21 N ATOM 1028 CA ASN A 60 7.514 5.316 -8.935 1.00 1.42 C ATOM 1029 C ASN A 60 6.580 6.461 -8.532 1.00 13.13 C ATOM 1030 O ASN A 60 5.495 6.210 -8.002 1.00 54.42 O ATOM 1031 CB ASN A 60 7.067 4.730 -10.308 1.00 74.05 C ATOM 1032 CG ASN A 60 7.971 3.598 -10.798 1.00 64.50 C ATOM 1033 OD1 ASN A 60 7.715 2.419 -10.538 1.00 60.52 O ATOM 1034 ND2 ASN A 60 9.052 3.948 -11.485 1.00 74.33 N ATOM 0 H ASN A 60 6.549 4.067 -7.547 1.00 11.21 H new ATOM 0 HA ASN A 60 8.536 5.676 -9.050 1.00 1.42 H new ATOM 0 HB2 ASN A 60 6.045 4.361 -10.224 1.00 74.05 H new ATOM 0 HB3 ASN A 60 7.057 5.527 -11.051 1.00 74.05 H new ATOM 0 HD21 ASN A 60 9.700 3.233 -11.815 1.00 74.33 H new ATOM 0 HD22 ASN A 60 9.234 4.932 -11.683 1.00 74.33 H new ATOM 1041 N ASP A 61 7.003 7.716 -8.762 1.00 0.13 N ATOM 1042 CA ASP A 61 6.133 8.904 -8.579 1.00 5.22 C ATOM 1043 C ASP A 61 4.980 8.906 -9.607 1.00 41.43 C ATOM 1044 O ASP A 61 3.939 9.539 -9.394 1.00 25.00 O ATOM 1045 CB ASP A 61 6.958 10.210 -8.664 1.00 62.11 C ATOM 1046 CG ASP A 61 7.509 10.500 -10.070 1.00 43.41 C ATOM 1047 OD1 ASP A 61 8.479 9.832 -10.486 1.00 10.03 O ATOM 1048 OD2 ASP A 61 6.974 11.395 -10.762 1.00 71.24 O ATOM 0 H ASP A 61 7.947 7.941 -9.077 1.00 0.13 H new ATOM 0 HA ASP A 61 5.693 8.851 -7.583 1.00 5.22 H new ATOM 0 HB2 ASP A 61 6.333 11.046 -8.348 1.00 62.11 H new ATOM 0 HB3 ASP A 61 7.790 10.151 -7.962 1.00 62.11 H new ATOM 1053 N GLU A 62 5.208 8.207 -10.726 1.00 14.45 N ATOM 1054 CA GLU A 62 4.166 7.865 -11.712 1.00 44.54 C ATOM 1055 C GLU A 62 3.031 7.090 -11.015 1.00 44.35 C ATOM 1056 O GLU A 62 1.861 7.448 -11.115 1.00 30.22 O ATOM 1057 CB GLU A 62 4.784 6.981 -12.820 1.00 24.13 C ATOM 1058 CG GLU A 62 5.956 7.628 -13.578 1.00 74.41 C ATOM 1059 CD GLU A 62 6.732 6.631 -14.461 1.00 0.25 C ATOM 1060 OE1 GLU A 62 7.693 6.005 -13.958 1.00 40.14 O ATOM 1061 OE2 GLU A 62 6.388 6.466 -15.650 1.00 45.41 O ATOM 0 H GLU A 62 6.132 7.857 -10.979 1.00 14.45 H new ATOM 0 HA GLU A 62 3.765 8.779 -12.150 1.00 44.54 H new ATOM 0 HB2 GLU A 62 5.129 6.049 -12.372 1.00 24.13 H new ATOM 0 HB3 GLU A 62 4.004 6.722 -13.536 1.00 24.13 H new ATOM 0 HG2 GLU A 62 5.575 8.436 -14.202 1.00 74.41 H new ATOM 0 HG3 GLU A 62 6.642 8.077 -12.859 1.00 74.41 H new ATOM 1068 N GLU A 63 3.440 6.038 -10.279 1.00 25.30 N ATOM 1069 CA GLU A 63 2.541 5.170 -9.507 1.00 1.13 C ATOM 1070 C GLU A 63 1.916 5.905 -8.313 1.00 20.03 C ATOM 1071 O GLU A 63 0.852 5.517 -7.862 1.00 41.42 O ATOM 1072 CB GLU A 63 3.280 3.882 -9.060 1.00 12.30 C ATOM 1073 CG GLU A 63 3.734 2.979 -10.224 1.00 70.01 C ATOM 1074 CD GLU A 63 2.572 2.569 -11.149 1.00 33.55 C ATOM 1075 OE1 GLU A 63 1.745 1.736 -10.736 1.00 73.14 O ATOM 1076 OE2 GLU A 63 2.468 3.098 -12.282 1.00 3.30 O ATOM 0 H GLU A 63 4.421 5.767 -10.206 1.00 25.30 H new ATOM 0 HA GLU A 63 1.718 4.881 -10.160 1.00 1.13 H new ATOM 0 HB2 GLU A 63 4.153 4.163 -8.471 1.00 12.30 H new ATOM 0 HB3 GLU A 63 2.624 3.309 -8.405 1.00 12.30 H new ATOM 0 HG2 GLU A 63 4.491 3.501 -10.809 1.00 70.01 H new ATOM 0 HG3 GLU A 63 4.205 2.083 -9.820 1.00 70.01 H new ATOM 1083 N LEU A 64 2.618 6.921 -7.778 1.00 10.22 N ATOM 1084 CA LEU A 64 2.089 7.812 -6.720 1.00 31.22 C ATOM 1085 C LEU A 64 0.808 8.512 -7.209 1.00 5.10 C ATOM 1086 O LEU A 64 -0.265 8.369 -6.606 1.00 63.03 O ATOM 1087 CB LEU A 64 3.171 8.864 -6.328 1.00 13.12 C ATOM 1088 CG LEU A 64 2.865 9.785 -5.104 1.00 55.04 C ATOM 1089 CD1 LEU A 64 2.798 8.975 -3.795 1.00 12.14 C ATOM 1090 CD2 LEU A 64 3.896 10.935 -5.000 1.00 33.04 C ATOM 0 H LEU A 64 3.569 7.150 -8.065 1.00 10.22 H new ATOM 0 HA LEU A 64 1.842 7.217 -5.840 1.00 31.22 H new ATOM 0 HB2 LEU A 64 4.101 8.332 -6.126 1.00 13.12 H new ATOM 0 HB3 LEU A 64 3.350 9.502 -7.193 1.00 13.12 H new ATOM 0 HG LEU A 64 1.884 10.232 -5.264 1.00 55.04 H new ATOM 0 HD11 LEU A 64 2.584 9.645 -2.963 1.00 12.14 H new ATOM 0 HD12 LEU A 64 2.009 8.226 -3.870 1.00 12.14 H new ATOM 0 HD13 LEU A 64 3.754 8.479 -3.625 1.00 12.14 H new ATOM 0 HD21 LEU A 64 3.658 11.560 -4.139 1.00 33.04 H new ATOM 0 HD22 LEU A 64 4.896 10.518 -4.880 1.00 33.04 H new ATOM 0 HD23 LEU A 64 3.861 11.538 -5.907 1.00 33.04 H new ATOM 1102 N ASP A 65 0.943 9.219 -8.348 1.00 30.33 N ATOM 1103 CA ASP A 65 -0.161 9.939 -9.014 1.00 55.14 C ATOM 1104 C ASP A 65 -1.266 8.961 -9.456 1.00 14.23 C ATOM 1105 O ASP A 65 -2.461 9.237 -9.293 1.00 73.04 O ATOM 1106 CB ASP A 65 0.409 10.710 -10.235 1.00 64.44 C ATOM 1107 CG ASP A 65 -0.656 11.430 -11.085 1.00 23.43 C ATOM 1108 OD1 ASP A 65 -1.115 12.525 -10.690 1.00 54.44 O ATOM 1109 OD2 ASP A 65 -1.026 10.918 -12.162 1.00 12.55 O ATOM 0 H ASP A 65 1.833 9.307 -8.838 1.00 30.33 H new ATOM 0 HA ASP A 65 -0.608 10.644 -8.313 1.00 55.14 H new ATOM 0 HB2 ASP A 65 1.132 11.445 -9.880 1.00 64.44 H new ATOM 0 HB3 ASP A 65 0.952 10.010 -10.870 1.00 64.44 H new ATOM 1114 N LYS A 66 -0.822 7.809 -9.971 1.00 2.21 N ATOM 1115 CA LYS A 66 -1.688 6.751 -10.510 1.00 42.50 C ATOM 1116 C LYS A 66 -2.574 6.131 -9.408 1.00 11.15 C ATOM 1117 O LYS A 66 -3.780 5.977 -9.585 1.00 33.51 O ATOM 1118 CB LYS A 66 -0.800 5.658 -11.160 1.00 74.23 C ATOM 1119 CG LYS A 66 -1.546 4.565 -11.945 1.00 53.44 C ATOM 1120 CD LYS A 66 -2.225 5.100 -13.224 1.00 43.24 C ATOM 1121 CE LYS A 66 -2.935 3.988 -14.008 1.00 71.32 C ATOM 1122 NZ LYS A 66 -3.621 4.502 -15.227 1.00 54.12 N ATOM 0 H LYS A 66 0.170 7.580 -10.026 1.00 2.21 H new ATOM 0 HA LYS A 66 -2.352 7.187 -11.257 1.00 42.50 H new ATOM 0 HB2 LYS A 66 -0.094 6.144 -11.833 1.00 74.23 H new ATOM 0 HB3 LYS A 66 -0.214 5.179 -10.375 1.00 74.23 H new ATOM 0 HG2 LYS A 66 -0.844 3.776 -12.215 1.00 53.44 H new ATOM 0 HG3 LYS A 66 -2.301 4.113 -11.301 1.00 53.44 H new ATOM 0 HD2 LYS A 66 -2.947 5.871 -12.955 1.00 43.24 H new ATOM 0 HD3 LYS A 66 -1.477 5.572 -13.861 1.00 43.24 H new ATOM 0 HE2 LYS A 66 -2.208 3.229 -14.296 1.00 71.32 H new ATOM 0 HE3 LYS A 66 -3.665 3.501 -13.362 1.00 71.32 H new ATOM 0 HZ1 LYS A 66 -4.114 3.720 -15.704 1.00 54.12 H new ATOM 0 HZ2 LYS A 66 -4.311 5.232 -14.956 1.00 54.12 H new ATOM 0 HZ3 LYS A 66 -2.918 4.914 -15.873 1.00 54.12 H new ATOM 1136 N ALA A 67 -1.950 5.784 -8.269 1.00 33.53 N ATOM 1137 CA ALA A 67 -2.636 5.133 -7.140 1.00 10.53 C ATOM 1138 C ALA A 67 -3.580 6.106 -6.418 1.00 61.43 C ATOM 1139 O ALA A 67 -4.584 5.673 -5.851 1.00 20.14 O ATOM 1140 CB ALA A 67 -1.617 4.537 -6.167 1.00 1.23 C ATOM 0 H ALA A 67 -0.956 5.947 -8.105 1.00 33.53 H new ATOM 0 HA ALA A 67 -3.246 4.324 -7.541 1.00 10.53 H new ATOM 0 HB1 ALA A 67 -2.141 4.060 -5.339 1.00 1.23 H new ATOM 0 HB2 ALA A 67 -1.008 3.797 -6.686 1.00 1.23 H new ATOM 0 HB3 ALA A 67 -0.975 5.329 -5.782 1.00 1.23 H new ATOM 1146 N LYS A 68 -3.244 7.420 -6.441 1.00 5.54 N ATOM 1147 CA LYS A 68 -4.152 8.479 -5.946 1.00 11.02 C ATOM 1148 C LYS A 68 -5.403 8.584 -6.839 1.00 31.13 C ATOM 1149 O LYS A 68 -6.512 8.747 -6.323 1.00 31.20 O ATOM 1150 CB LYS A 68 -3.441 9.858 -5.844 1.00 64.54 C ATOM 1151 CG LYS A 68 -2.423 9.956 -4.684 1.00 74.32 C ATOM 1152 CD LYS A 68 -1.730 11.337 -4.579 1.00 53.32 C ATOM 1153 CE LYS A 68 -0.933 11.702 -5.842 1.00 53.03 C ATOM 1154 NZ LYS A 68 -0.189 12.982 -5.689 1.00 45.32 N ATOM 0 H LYS A 68 -2.354 7.768 -6.796 1.00 5.54 H new ATOM 0 HA LYS A 68 -4.459 8.195 -4.939 1.00 11.02 H new ATOM 0 HB2 LYS A 68 -2.927 10.060 -6.783 1.00 64.54 H new ATOM 0 HB3 LYS A 68 -4.195 10.636 -5.719 1.00 64.54 H new ATOM 0 HG2 LYS A 68 -2.934 9.743 -3.745 1.00 74.32 H new ATOM 0 HG3 LYS A 68 -1.662 9.186 -4.814 1.00 74.32 H new ATOM 0 HD2 LYS A 68 -2.483 12.103 -4.396 1.00 53.32 H new ATOM 0 HD3 LYS A 68 -1.060 11.338 -3.719 1.00 53.32 H new ATOM 0 HE2 LYS A 68 -0.230 10.901 -6.070 1.00 53.03 H new ATOM 0 HE3 LYS A 68 -1.614 11.779 -6.689 1.00 53.03 H new ATOM 0 HZ1 LYS A 68 0.333 13.187 -6.565 1.00 45.32 H new ATOM 0 HZ2 LYS A 68 -0.860 13.753 -5.498 1.00 45.32 H new ATOM 0 HZ3 LYS A 68 0.481 12.902 -4.897 1.00 45.32 H new ATOM 1168 N GLU A 69 -5.215 8.464 -8.180 1.00 40.13 N ATOM 1169 CA GLU A 69 -6.337 8.426 -9.151 1.00 72.11 C ATOM 1170 C GLU A 69 -7.300 7.279 -8.807 1.00 62.43 C ATOM 1171 O GLU A 69 -8.486 7.514 -8.556 1.00 50.14 O ATOM 1172 CB GLU A 69 -5.847 8.240 -10.615 1.00 1.34 C ATOM 1173 CG GLU A 69 -5.193 9.470 -11.262 1.00 60.41 C ATOM 1174 CD GLU A 69 -4.837 9.223 -12.738 1.00 11.50 C ATOM 1175 OE1 GLU A 69 -5.773 9.076 -13.566 1.00 13.51 O ATOM 1176 OE2 GLU A 69 -3.638 9.162 -13.084 1.00 1.34 O ATOM 0 H GLU A 69 -4.294 8.392 -8.612 1.00 40.13 H new ATOM 0 HA GLU A 69 -6.845 9.387 -9.078 1.00 72.11 H new ATOM 0 HB2 GLU A 69 -5.132 7.418 -10.637 1.00 1.34 H new ATOM 0 HB3 GLU A 69 -6.697 7.940 -11.227 1.00 1.34 H new ATOM 0 HG2 GLU A 69 -5.870 10.321 -11.190 1.00 60.41 H new ATOM 0 HG3 GLU A 69 -4.290 9.733 -10.710 1.00 60.41 H new ATOM 1183 N LEU A 70 -6.730 6.061 -8.727 1.00 51.31 N ATOM 1184 CA LEU A 70 -7.480 4.814 -8.531 1.00 71.00 C ATOM 1185 C LEU A 70 -8.208 4.818 -7.172 1.00 41.44 C ATOM 1186 O LEU A 70 -9.349 4.371 -7.081 1.00 71.33 O ATOM 1187 CB LEU A 70 -6.514 3.595 -8.661 1.00 20.51 C ATOM 1188 CG LEU A 70 -5.758 3.468 -10.032 1.00 61.11 C ATOM 1189 CD1 LEU A 70 -4.761 2.285 -10.032 1.00 33.11 C ATOM 1190 CD2 LEU A 70 -6.750 3.371 -11.212 1.00 61.22 C ATOM 0 H LEU A 70 -5.723 5.918 -8.798 1.00 51.31 H new ATOM 0 HA LEU A 70 -8.244 4.732 -9.304 1.00 71.00 H new ATOM 0 HB2 LEU A 70 -5.774 3.655 -7.863 1.00 20.51 H new ATOM 0 HB3 LEU A 70 -7.087 2.682 -8.497 1.00 20.51 H new ATOM 0 HG LEU A 70 -5.174 4.379 -10.165 1.00 61.11 H new ATOM 0 HD11 LEU A 70 -4.259 2.232 -10.998 1.00 33.11 H new ATOM 0 HD12 LEU A 70 -4.020 2.433 -9.246 1.00 33.11 H new ATOM 0 HD13 LEU A 70 -5.300 1.355 -9.852 1.00 33.11 H new ATOM 0 HD21 LEU A 70 -6.196 3.284 -12.147 1.00 61.22 H new ATOM 0 HD22 LEU A 70 -7.384 2.494 -11.083 1.00 61.22 H new ATOM 0 HD23 LEU A 70 -7.371 4.267 -11.240 1.00 61.22 H new ATOM 1202 N ALA A 71 -7.540 5.356 -6.137 1.00 70.52 N ATOM 1203 CA ALA A 71 -8.119 5.541 -4.792 1.00 33.53 C ATOM 1204 C ALA A 71 -9.368 6.449 -4.798 1.00 60.51 C ATOM 1205 O ALA A 71 -10.368 6.140 -4.139 1.00 43.33 O ATOM 1206 CB ALA A 71 -7.050 6.114 -3.861 1.00 2.10 C ATOM 0 H ALA A 71 -6.575 5.678 -6.210 1.00 70.52 H new ATOM 0 HA ALA A 71 -8.448 4.565 -4.435 1.00 33.53 H new ATOM 0 HB1 ALA A 71 -7.471 6.253 -2.865 1.00 2.10 H new ATOM 0 HB2 ALA A 71 -6.208 5.424 -3.806 1.00 2.10 H new ATOM 0 HB3 ALA A 71 -6.708 7.074 -4.247 1.00 2.10 H new ATOM 1212 N GLN A 72 -9.290 7.568 -5.544 1.00 44.14 N ATOM 1213 CA GLN A 72 -10.412 8.520 -5.699 1.00 50.25 C ATOM 1214 C GLN A 72 -11.572 7.884 -6.498 1.00 32.32 C ATOM 1215 O GLN A 72 -12.743 8.045 -6.139 1.00 61.51 O ATOM 1216 CB GLN A 72 -9.914 9.811 -6.399 1.00 63.03 C ATOM 1217 CG GLN A 72 -8.922 10.666 -5.575 1.00 42.33 C ATOM 1218 CD GLN A 72 -8.359 11.856 -6.371 1.00 54.11 C ATOM 1219 OE1 GLN A 72 -8.937 12.944 -6.384 1.00 50.51 O ATOM 1220 NE2 GLN A 72 -7.237 11.650 -7.050 1.00 51.34 N ATOM 0 H GLN A 72 -8.450 7.839 -6.056 1.00 44.14 H new ATOM 0 HA GLN A 72 -10.789 8.775 -4.709 1.00 50.25 H new ATOM 0 HB2 GLN A 72 -9.437 9.534 -7.339 1.00 63.03 H new ATOM 0 HB3 GLN A 72 -10.778 10.426 -6.649 1.00 63.03 H new ATOM 0 HG2 GLN A 72 -9.424 11.037 -4.681 1.00 42.33 H new ATOM 0 HG3 GLN A 72 -8.098 10.036 -5.239 1.00 42.33 H new ATOM 0 HE21 GLN A 72 -6.782 10.738 -7.019 1.00 51.34 H new ATOM 0 HE22 GLN A 72 -6.830 12.404 -7.603 1.00 51.34 H new ATOM 1229 N LYS A 73 -11.217 7.133 -7.559 1.00 54.44 N ATOM 1230 CA LYS A 73 -12.187 6.435 -8.434 1.00 71.23 C ATOM 1231 C LYS A 73 -12.943 5.346 -7.655 1.00 12.11 C ATOM 1232 O LYS A 73 -14.134 5.112 -7.886 1.00 23.14 O ATOM 1233 CB LYS A 73 -11.443 5.817 -9.650 1.00 55.20 C ATOM 1234 CG LYS A 73 -10.784 6.857 -10.590 1.00 73.34 C ATOM 1235 CD LYS A 73 -11.796 7.659 -11.442 1.00 63.42 C ATOM 1236 CE LYS A 73 -12.426 6.810 -12.563 1.00 21.24 C ATOM 1237 NZ LYS A 73 -11.410 6.339 -13.550 1.00 75.42 N ATOM 0 H LYS A 73 -10.246 6.991 -7.837 1.00 54.44 H new ATOM 0 HA LYS A 73 -12.919 7.159 -8.793 1.00 71.23 H new ATOM 0 HB2 LYS A 73 -10.674 5.137 -9.283 1.00 55.20 H new ATOM 0 HB3 LYS A 73 -12.148 5.219 -10.227 1.00 55.20 H new ATOM 0 HG2 LYS A 73 -10.196 7.553 -9.991 1.00 73.34 H new ATOM 0 HG3 LYS A 73 -10.090 6.343 -11.255 1.00 73.34 H new ATOM 0 HD2 LYS A 73 -12.585 8.045 -10.796 1.00 63.42 H new ATOM 0 HD3 LYS A 73 -11.294 8.521 -11.882 1.00 63.42 H new ATOM 0 HE2 LYS A 73 -12.931 5.949 -12.125 1.00 21.24 H new ATOM 0 HE3 LYS A 73 -13.186 7.397 -13.078 1.00 21.24 H new ATOM 0 HZ1 LYS A 73 -11.891 5.982 -14.400 1.00 75.42 H new ATOM 0 HZ2 LYS A 73 -10.787 7.130 -13.811 1.00 75.42 H new ATOM 0 HZ3 LYS A 73 -10.843 5.577 -13.127 1.00 75.42 H new ATOM 1251 N MET A 74 -12.228 4.696 -6.727 1.00 73.42 N ATOM 1252 CA MET A 74 -12.793 3.669 -5.834 1.00 23.11 C ATOM 1253 C MET A 74 -13.395 4.296 -4.567 1.00 32.01 C ATOM 1254 O MET A 74 -13.990 3.581 -3.753 1.00 61.11 O ATOM 1255 CB MET A 74 -11.706 2.640 -5.455 1.00 51.31 C ATOM 1256 CG MET A 74 -11.223 1.787 -6.624 1.00 64.23 C ATOM 1257 SD MET A 74 -12.534 0.767 -7.322 1.00 43.21 S ATOM 1258 CE MET A 74 -11.560 -0.404 -8.257 1.00 61.45 C ATOM 0 H MET A 74 -11.235 4.867 -6.572 1.00 73.42 H new ATOM 0 HA MET A 74 -13.596 3.163 -6.370 1.00 23.11 H new ATOM 0 HB2 MET A 74 -10.854 3.168 -5.028 1.00 51.31 H new ATOM 0 HB3 MET A 74 -12.097 1.984 -4.677 1.00 51.31 H new ATOM 0 HG2 MET A 74 -10.820 2.436 -7.401 1.00 64.23 H new ATOM 0 HG3 MET A 74 -10.408 1.146 -6.289 1.00 64.23 H new ATOM 0 HE1 MET A 74 -12.208 -1.194 -8.638 1.00 61.45 H new ATOM 0 HE2 MET A 74 -11.080 0.106 -9.092 1.00 61.45 H new ATOM 0 HE3 MET A 74 -10.797 -0.840 -7.612 1.00 61.45 H new ATOM 1268 N GLU A 75 -13.224 5.627 -4.424 1.00 13.12 N ATOM 1269 CA GLU A 75 -13.815 6.436 -3.336 1.00 30.32 C ATOM 1270 C GLU A 75 -13.364 5.962 -1.921 1.00 44.02 C ATOM 1271 O GLU A 75 -14.086 6.156 -0.943 1.00 63.24 O ATOM 1272 CB GLU A 75 -15.368 6.413 -3.471 1.00 33.42 C ATOM 1273 CG GLU A 75 -15.917 6.875 -4.842 1.00 2.11 C ATOM 1274 CD GLU A 75 -17.419 6.582 -5.020 1.00 44.44 C ATOM 1275 OE1 GLU A 75 -17.787 5.393 -5.133 1.00 33.14 O ATOM 1276 OE2 GLU A 75 -18.239 7.527 -5.033 1.00 41.11 O ATOM 0 H GLU A 75 -12.662 6.179 -5.072 1.00 13.12 H new ATOM 0 HA GLU A 75 -13.452 7.459 -3.437 1.00 30.32 H new ATOM 0 HB2 GLU A 75 -15.718 5.399 -3.280 1.00 33.42 H new ATOM 0 HB3 GLU A 75 -15.794 7.048 -2.694 1.00 33.42 H new ATOM 0 HG2 GLU A 75 -15.746 7.946 -4.953 1.00 2.11 H new ATOM 0 HG3 GLU A 75 -15.359 6.379 -5.636 1.00 2.11 H new ATOM 1283 N ILE A 76 -12.160 5.367 -1.821 1.00 0.51 N ATOM 1284 CA ILE A 76 -11.624 4.811 -0.547 1.00 35.14 C ATOM 1285 C ILE A 76 -10.639 5.806 0.112 1.00 13.13 C ATOM 1286 O ILE A 76 -9.870 6.479 -0.588 1.00 64.31 O ATOM 1287 CB ILE A 76 -10.895 3.430 -0.793 1.00 22.22 C ATOM 1288 CG1 ILE A 76 -11.842 2.426 -1.525 1.00 32.05 C ATOM 1289 CG2 ILE A 76 -10.372 2.809 0.533 1.00 24.15 C ATOM 1290 CD1 ILE A 76 -11.189 1.121 -1.960 1.00 73.01 C ATOM 0 H ILE A 76 -11.528 5.255 -2.613 1.00 0.51 H new ATOM 0 HA ILE A 76 -12.469 4.648 0.122 1.00 35.14 H new ATOM 0 HB ILE A 76 -10.033 3.629 -1.430 1.00 22.22 H new ATOM 0 HG12 ILE A 76 -12.678 2.193 -0.866 1.00 32.05 H new ATOM 0 HG13 ILE A 76 -12.257 2.918 -2.405 1.00 32.05 H new ATOM 0 HG21 ILE A 76 -9.878 1.861 0.321 1.00 24.15 H new ATOM 0 HG22 ILE A 76 -9.662 3.492 1.000 1.00 24.15 H new ATOM 0 HG23 ILE A 76 -11.209 2.638 1.210 1.00 24.15 H new ATOM 0 HD11 ILE A 76 -11.928 0.493 -2.458 1.00 73.01 H new ATOM 0 HD12 ILE A 76 -10.371 1.335 -2.648 1.00 73.01 H new ATOM 0 HD13 ILE A 76 -10.800 0.600 -1.085 1.00 73.01 H new ATOM 1302 N ASP A 77 -10.674 5.884 1.460 1.00 10.54 N ATOM 1303 CA ASP A 77 -9.732 6.692 2.264 1.00 45.50 C ATOM 1304 C ASP A 77 -8.340 6.027 2.271 1.00 25.34 C ATOM 1305 O ASP A 77 -8.139 4.981 2.912 1.00 20.25 O ATOM 1306 CB ASP A 77 -10.257 6.844 3.715 1.00 73.41 C ATOM 1307 CG ASP A 77 -11.578 7.626 3.802 1.00 74.42 C ATOM 1308 OD1 ASP A 77 -12.653 7.023 3.592 1.00 25.14 O ATOM 1309 OD2 ASP A 77 -11.553 8.845 4.083 1.00 44.21 O ATOM 0 H ASP A 77 -11.361 5.385 2.024 1.00 10.54 H new ATOM 0 HA ASP A 77 -9.649 7.683 1.817 1.00 45.50 H new ATOM 0 HB2 ASP A 77 -10.399 5.854 4.149 1.00 73.41 H new ATOM 0 HB3 ASP A 77 -9.502 7.350 4.317 1.00 73.41 H new ATOM 1314 N VAL A 78 -7.389 6.628 1.534 1.00 2.12 N ATOM 1315 CA VAL A 78 -6.052 6.047 1.295 1.00 13.41 C ATOM 1316 C VAL A 78 -4.927 7.065 1.620 1.00 40.31 C ATOM 1317 O VAL A 78 -5.081 8.266 1.406 1.00 62.32 O ATOM 1318 CB VAL A 78 -5.917 5.557 -0.208 1.00 13.33 C ATOM 1319 CG1 VAL A 78 -4.535 4.927 -0.496 1.00 1.24 C ATOM 1320 CG2 VAL A 78 -7.048 4.567 -0.581 1.00 42.03 C ATOM 0 H VAL A 78 -7.525 7.534 1.085 1.00 2.12 H new ATOM 0 HA VAL A 78 -5.942 5.191 1.961 1.00 13.41 H new ATOM 0 HB VAL A 78 -6.012 6.445 -0.834 1.00 13.33 H new ATOM 0 HG11 VAL A 78 -4.491 4.607 -1.537 1.00 1.24 H new ATOM 0 HG12 VAL A 78 -3.753 5.663 -0.309 1.00 1.24 H new ATOM 0 HG13 VAL A 78 -4.385 4.066 0.155 1.00 1.24 H new ATOM 0 HG21 VAL A 78 -6.927 4.250 -1.617 1.00 42.03 H new ATOM 0 HG22 VAL A 78 -7.000 3.696 0.073 1.00 42.03 H new ATOM 0 HG23 VAL A 78 -8.014 5.057 -0.462 1.00 42.03 H new ATOM 1330 N ARG A 79 -3.808 6.546 2.161 1.00 72.21 N ATOM 1331 CA ARG A 79 -2.519 7.247 2.247 1.00 71.34 C ATOM 1332 C ARG A 79 -1.664 6.704 1.096 1.00 22.14 C ATOM 1333 O ARG A 79 -1.440 5.499 1.026 1.00 55.21 O ATOM 1334 CB ARG A 79 -1.765 6.957 3.583 1.00 31.03 C ATOM 1335 CG ARG A 79 -2.323 7.598 4.869 1.00 34.51 C ATOM 1336 CD ARG A 79 -3.687 7.043 5.320 1.00 62.11 C ATOM 1337 NE ARG A 79 -4.009 7.525 6.668 1.00 3.25 N ATOM 1338 CZ ARG A 79 -5.217 7.869 7.118 1.00 65.13 C ATOM 1339 NH1 ARG A 79 -6.292 7.804 6.339 1.00 60.11 N ATOM 1340 NH2 ARG A 79 -5.329 8.289 8.364 1.00 71.22 N ATOM 0 H ARG A 79 -3.778 5.607 2.558 1.00 72.21 H new ATOM 0 HA ARG A 79 -2.692 8.322 2.198 1.00 71.34 H new ATOM 0 HB2 ARG A 79 -1.742 5.877 3.728 1.00 31.03 H new ATOM 0 HB3 ARG A 79 -0.732 7.285 3.464 1.00 31.03 H new ATOM 0 HG2 ARG A 79 -1.602 7.454 5.674 1.00 34.51 H new ATOM 0 HG3 ARG A 79 -2.416 8.673 4.713 1.00 34.51 H new ATOM 0 HD2 ARG A 79 -4.463 7.352 4.620 1.00 62.11 H new ATOM 0 HD3 ARG A 79 -3.666 5.953 5.311 1.00 62.11 H new ATOM 0 HE ARG A 79 -3.233 7.605 7.325 1.00 3.25 H new ATOM 0 HH11 ARG A 79 -6.204 7.486 5.374 1.00 60.11 H new ATOM 0 HH12 ARG A 79 -7.205 8.072 6.706 1.00 60.11 H new ATOM 0 HH21 ARG A 79 -4.503 8.345 8.960 1.00 71.22 H new ATOM 0 HH22 ARG A 79 -6.242 8.558 8.731 1.00 71.22 H new ATOM 1354 N THR A 80 -1.209 7.565 0.199 1.00 74.51 N ATOM 1355 CA THR A 80 -0.363 7.159 -0.928 1.00 53.55 C ATOM 1356 C THR A 80 1.038 7.767 -0.722 1.00 10.14 C ATOM 1357 O THR A 80 1.223 8.984 -0.861 1.00 15.50 O ATOM 1358 CB THR A 80 -0.998 7.607 -2.286 1.00 43.20 C ATOM 1359 OG1 THR A 80 -2.413 7.322 -2.278 1.00 35.41 O ATOM 1360 CG2 THR A 80 -0.356 6.888 -3.488 1.00 63.25 C ATOM 0 H THR A 80 -1.412 8.564 0.226 1.00 74.51 H new ATOM 0 HA THR A 80 -0.280 6.073 -0.967 1.00 53.55 H new ATOM 0 HB THR A 80 -0.820 8.677 -2.391 1.00 43.20 H new ATOM 0 HG1 THR A 80 -2.809 7.605 -3.129 1.00 35.41 H new ATOM 0 HG21 THR A 80 -0.827 7.229 -4.410 1.00 63.25 H new ATOM 0 HG22 THR A 80 0.710 7.114 -3.520 1.00 63.25 H new ATOM 0 HG23 THR A 80 -0.496 5.812 -3.386 1.00 63.25 H new ATOM 1368 N ARG A 81 2.000 6.911 -0.334 1.00 53.33 N ATOM 1369 CA ARG A 81 3.386 7.299 -0.003 1.00 51.14 C ATOM 1370 C ARG A 81 4.349 6.674 -1.018 1.00 73.53 C ATOM 1371 O ARG A 81 4.154 5.531 -1.429 1.00 4.42 O ATOM 1372 CB ARG A 81 3.751 6.833 1.442 1.00 31.21 C ATOM 1373 CG ARG A 81 2.939 7.479 2.594 1.00 41.31 C ATOM 1374 CD ARG A 81 3.178 8.996 2.747 1.00 62.22 C ATOM 1375 NE ARG A 81 2.542 9.778 1.672 1.00 2.41 N ATOM 1376 CZ ARG A 81 2.872 11.030 1.309 1.00 53.13 C ATOM 1377 NH1 ARG A 81 3.833 11.703 1.940 1.00 60.14 N ATOM 1378 NH2 ARG A 81 2.241 11.598 0.293 1.00 64.52 N ATOM 0 H ARG A 81 1.834 5.909 -0.239 1.00 53.33 H new ATOM 0 HA ARG A 81 3.472 8.385 -0.047 1.00 51.14 H new ATOM 0 HB2 ARG A 81 3.622 5.752 1.496 1.00 31.21 H new ATOM 0 HB3 ARG A 81 4.808 7.037 1.611 1.00 31.21 H new ATOM 0 HG2 ARG A 81 1.877 7.303 2.421 1.00 41.31 H new ATOM 0 HG3 ARG A 81 3.196 6.983 3.530 1.00 41.31 H new ATOM 0 HD2 ARG A 81 2.790 9.326 3.711 1.00 62.22 H new ATOM 0 HD3 ARG A 81 4.250 9.193 2.750 1.00 62.22 H new ATOM 0 HE ARG A 81 1.784 9.330 1.157 1.00 2.41 H new ATOM 0 HH11 ARG A 81 4.335 11.269 2.715 1.00 60.14 H new ATOM 0 HH12 ARG A 81 4.067 12.652 1.648 1.00 60.14 H new ATOM 0 HH21 ARG A 81 1.513 11.086 -0.205 1.00 64.52 H new ATOM 0 HH22 ARG A 81 2.483 12.547 0.009 1.00 64.52 H new ATOM 1392 N LYS A 82 5.382 7.430 -1.423 1.00 50.23 N ATOM 1393 CA LYS A 82 6.395 6.952 -2.373 1.00 50.11 C ATOM 1394 C LYS A 82 7.650 6.482 -1.622 1.00 23.24 C ATOM 1395 O LYS A 82 8.273 7.263 -0.890 1.00 32.21 O ATOM 1396 CB LYS A 82 6.758 8.065 -3.388 1.00 44.00 C ATOM 1397 CG LYS A 82 7.719 7.585 -4.508 1.00 34.32 C ATOM 1398 CD LYS A 82 8.333 8.744 -5.320 1.00 1.52 C ATOM 1399 CE LYS A 82 9.204 9.662 -4.448 1.00 3.24 C ATOM 1400 NZ LYS A 82 9.888 10.708 -5.249 1.00 63.52 N ATOM 0 H LYS A 82 5.537 8.386 -1.102 1.00 50.23 H new ATOM 0 HA LYS A 82 5.981 6.107 -2.923 1.00 50.11 H new ATOM 0 HB2 LYS A 82 5.843 8.445 -3.842 1.00 44.00 H new ATOM 0 HB3 LYS A 82 7.219 8.897 -2.855 1.00 44.00 H new ATOM 0 HG2 LYS A 82 8.521 6.997 -4.062 1.00 34.32 H new ATOM 0 HG3 LYS A 82 7.177 6.923 -5.184 1.00 34.32 H new ATOM 0 HD2 LYS A 82 8.935 8.338 -6.132 1.00 1.52 H new ATOM 0 HD3 LYS A 82 7.535 9.329 -5.777 1.00 1.52 H new ATOM 0 HE2 LYS A 82 8.583 10.136 -3.688 1.00 3.24 H new ATOM 0 HE3 LYS A 82 9.948 9.063 -3.923 1.00 3.24 H new ATOM 0 HZ1 LYS A 82 10.464 11.304 -4.621 1.00 63.52 H new ATOM 0 HZ2 LYS A 82 10.501 10.257 -5.958 1.00 63.52 H new ATOM 0 HZ3 LYS A 82 9.178 11.297 -5.730 1.00 63.52 H new ATOM 1414 N VAL A 83 8.002 5.200 -1.794 1.00 61.44 N ATOM 1415 CA VAL A 83 9.217 4.602 -1.221 1.00 2.35 C ATOM 1416 C VAL A 83 10.135 4.080 -2.349 1.00 0.30 C ATOM 1417 O VAL A 83 9.670 3.458 -3.308 1.00 13.15 O ATOM 1418 CB VAL A 83 8.852 3.448 -0.212 1.00 45.21 C ATOM 1419 CG1 VAL A 83 7.901 3.979 0.880 1.00 11.53 C ATOM 1420 CG2 VAL A 83 8.244 2.207 -0.916 1.00 4.35 C ATOM 0 H VAL A 83 7.446 4.542 -2.340 1.00 61.44 H new ATOM 0 HA VAL A 83 9.754 5.371 -0.666 1.00 2.35 H new ATOM 0 HB VAL A 83 9.782 3.117 0.250 1.00 45.21 H new ATOM 0 HG11 VAL A 83 7.655 3.173 1.572 1.00 11.53 H new ATOM 0 HG12 VAL A 83 8.388 4.789 1.424 1.00 11.53 H new ATOM 0 HG13 VAL A 83 6.987 4.351 0.417 1.00 11.53 H new ATOM 0 HG21 VAL A 83 8.012 1.444 -0.173 1.00 4.35 H new ATOM 0 HG22 VAL A 83 7.331 2.495 -1.437 1.00 4.35 H new ATOM 0 HG23 VAL A 83 8.961 1.808 -1.634 1.00 4.35 H new ATOM 1430 N THR A 84 11.426 4.383 -2.242 1.00 53.42 N ATOM 1431 CA THR A 84 12.473 3.838 -3.123 1.00 72.12 C ATOM 1432 C THR A 84 13.591 3.194 -2.276 1.00 54.01 C ATOM 1433 O THR A 84 14.633 2.797 -2.809 1.00 54.12 O ATOM 1434 CB THR A 84 13.038 4.959 -4.067 1.00 71.23 C ATOM 1435 OG1 THR A 84 13.367 6.126 -3.290 1.00 71.22 O ATOM 1436 CG2 THR A 84 12.036 5.340 -5.186 1.00 33.53 C ATOM 0 H THR A 84 11.786 5.022 -1.533 1.00 53.42 H new ATOM 0 HA THR A 84 12.040 3.064 -3.757 1.00 72.12 H new ATOM 0 HB THR A 84 13.933 4.565 -4.548 1.00 71.23 H new ATOM 0 HG1 THR A 84 13.721 6.823 -3.881 1.00 71.22 H new ATOM 0 HG21 THR A 84 12.470 6.118 -5.814 1.00 33.53 H new ATOM 0 HG22 THR A 84 11.819 4.462 -5.795 1.00 33.53 H new ATOM 0 HG23 THR A 84 11.113 5.708 -4.738 1.00 33.53 H new ATOM 1444 N SER A 85 13.341 3.071 -0.950 1.00 12.40 N ATOM 1445 CA SER A 85 14.248 2.433 0.018 1.00 3.34 C ATOM 1446 C SER A 85 13.408 1.564 0.991 1.00 51.14 C ATOM 1447 O SER A 85 12.278 1.953 1.326 1.00 60.13 O ATOM 1448 CB SER A 85 15.034 3.513 0.796 1.00 21.24 C ATOM 1449 OG SER A 85 15.652 4.438 -0.084 1.00 25.52 O ATOM 0 H SER A 85 12.484 3.421 -0.521 1.00 12.40 H new ATOM 0 HA SER A 85 14.966 1.801 -0.505 1.00 3.34 H new ATOM 0 HB2 SER A 85 14.359 4.043 1.468 1.00 21.24 H new ATOM 0 HB3 SER A 85 15.793 3.037 1.417 1.00 21.24 H new ATOM 0 HG SER A 85 16.140 5.109 0.437 1.00 25.52 H new ATOM 1455 N PRO A 86 13.929 0.365 1.439 1.00 51.41 N ATOM 1456 CA PRO A 86 13.218 -0.539 2.383 1.00 64.51 C ATOM 1457 C PRO A 86 12.784 0.166 3.680 1.00 64.33 C ATOM 1458 O PRO A 86 11.622 0.059 4.064 1.00 12.51 O ATOM 1459 CB PRO A 86 14.241 -1.678 2.660 1.00 33.24 C ATOM 1460 CG PRO A 86 15.560 -1.155 2.169 1.00 1.25 C ATOM 1461 CD PRO A 86 15.228 -0.226 1.027 1.00 14.15 C ATOM 0 HA PRO A 86 12.283 -0.905 1.959 1.00 64.51 H new ATOM 0 HB2 PRO A 86 14.284 -1.918 3.722 1.00 33.24 H new ATOM 0 HB3 PRO A 86 13.962 -2.593 2.138 1.00 33.24 H new ATOM 0 HG2 PRO A 86 16.092 -0.628 2.961 1.00 1.25 H new ATOM 0 HG3 PRO A 86 16.206 -1.968 1.838 1.00 1.25 H new ATOM 0 HD2 PRO A 86 15.994 0.538 0.893 1.00 14.15 H new ATOM 0 HD3 PRO A 86 15.145 -0.763 0.082 1.00 14.15 H new ATOM 1469 N ASP A 87 13.704 0.948 4.293 1.00 51.00 N ATOM 1470 CA ASP A 87 13.452 1.619 5.596 1.00 20.31 C ATOM 1471 C ASP A 87 12.260 2.601 5.530 1.00 64.15 C ATOM 1472 O ASP A 87 11.562 2.803 6.531 1.00 21.34 O ATOM 1473 CB ASP A 87 14.725 2.347 6.120 1.00 33.30 C ATOM 1474 CG ASP A 87 15.847 1.378 6.538 1.00 13.12 C ATOM 1475 OD1 ASP A 87 15.602 0.514 7.406 1.00 72.14 O ATOM 1476 OD2 ASP A 87 16.968 1.449 5.986 1.00 22.31 O ATOM 0 H ASP A 87 14.630 1.132 3.907 1.00 51.00 H new ATOM 0 HA ASP A 87 13.191 0.830 6.301 1.00 20.31 H new ATOM 0 HB2 ASP A 87 15.100 3.014 5.344 1.00 33.30 H new ATOM 0 HB3 ASP A 87 14.455 2.970 6.973 1.00 33.30 H new ATOM 1481 N GLU A 88 12.022 3.177 4.336 1.00 5.14 N ATOM 1482 CA GLU A 88 10.880 4.075 4.091 1.00 72.12 C ATOM 1483 C GLU A 88 9.565 3.279 4.141 1.00 24.30 C ATOM 1484 O GLU A 88 8.647 3.641 4.884 1.00 22.43 O ATOM 1485 CB GLU A 88 11.034 4.792 2.725 1.00 32.43 C ATOM 1486 CG GLU A 88 12.320 5.626 2.571 1.00 43.31 C ATOM 1487 CD GLU A 88 12.383 6.376 1.232 1.00 35.10 C ATOM 1488 OE1 GLU A 88 12.537 5.721 0.185 1.00 42.45 O ATOM 1489 OE2 GLU A 88 12.270 7.624 1.211 1.00 31.43 O ATOM 0 H GLU A 88 12.614 3.033 3.518 1.00 5.14 H new ATOM 0 HA GLU A 88 10.858 4.835 4.872 1.00 72.12 H new ATOM 0 HB2 GLU A 88 11.007 4.043 1.933 1.00 32.43 H new ATOM 0 HB3 GLU A 88 10.175 5.445 2.575 1.00 32.43 H new ATOM 0 HG2 GLU A 88 12.382 6.344 3.388 1.00 43.31 H new ATOM 0 HG3 GLU A 88 13.186 4.970 2.656 1.00 43.31 H new ATOM 1496 N ALA A 89 9.532 2.147 3.401 1.00 3.45 N ATOM 1497 CA ALA A 89 8.339 1.282 3.299 1.00 41.41 C ATOM 1498 C ALA A 89 7.948 0.727 4.671 1.00 53.51 C ATOM 1499 O ALA A 89 6.772 0.751 5.049 1.00 4.13 O ATOM 1500 CB ALA A 89 8.587 0.140 2.303 1.00 31.11 C ATOM 0 H ALA A 89 10.329 1.810 2.861 1.00 3.45 H new ATOM 0 HA ALA A 89 7.510 1.887 2.931 1.00 41.41 H new ATOM 0 HB1 ALA A 89 7.698 -0.487 2.240 1.00 31.11 H new ATOM 0 HB2 ALA A 89 8.808 0.556 1.320 1.00 31.11 H new ATOM 0 HB3 ALA A 89 9.432 -0.460 2.641 1.00 31.11 H new ATOM 1506 N LYS A 90 8.970 0.287 5.420 1.00 15.20 N ATOM 1507 CA LYS A 90 8.829 -0.252 6.773 1.00 42.52 C ATOM 1508 C LYS A 90 8.265 0.806 7.733 1.00 43.53 C ATOM 1509 O LYS A 90 7.366 0.510 8.548 1.00 22.31 O ATOM 1510 CB LYS A 90 10.218 -0.728 7.274 1.00 64.31 C ATOM 1511 CG LYS A 90 10.861 -1.837 6.413 1.00 43.43 C ATOM 1512 CD LYS A 90 12.302 -2.192 6.856 1.00 3.31 C ATOM 1513 CE LYS A 90 12.356 -2.946 8.192 1.00 41.10 C ATOM 1514 NZ LYS A 90 13.749 -3.341 8.539 1.00 60.01 N ATOM 0 H LYS A 90 9.936 0.298 5.092 1.00 15.20 H new ATOM 0 HA LYS A 90 8.132 -1.090 6.747 1.00 42.52 H new ATOM 0 HB2 LYS A 90 10.892 0.128 7.305 1.00 64.31 H new ATOM 0 HB3 LYS A 90 10.117 -1.092 8.297 1.00 64.31 H new ATOM 0 HG2 LYS A 90 10.241 -2.732 6.462 1.00 43.43 H new ATOM 0 HG3 LYS A 90 10.876 -1.517 5.371 1.00 43.43 H new ATOM 0 HD2 LYS A 90 12.773 -2.800 6.084 1.00 3.31 H new ATOM 0 HD3 LYS A 90 12.886 -1.275 6.940 1.00 3.31 H new ATOM 0 HE2 LYS A 90 11.947 -2.317 8.983 1.00 41.10 H new ATOM 0 HE3 LYS A 90 11.728 -3.835 8.135 1.00 41.10 H new ATOM 0 HZ1 LYS A 90 13.739 -3.935 9.393 1.00 60.01 H new ATOM 0 HZ2 LYS A 90 14.165 -3.876 7.750 1.00 60.01 H new ATOM 0 HZ3 LYS A 90 14.317 -2.488 8.717 1.00 60.01 H new ATOM 1528 N ARG A 91 8.808 2.044 7.623 1.00 14.01 N ATOM 1529 CA ARG A 91 8.425 3.145 8.504 1.00 41.11 C ATOM 1530 C ARG A 91 6.942 3.476 8.353 1.00 74.41 C ATOM 1531 O ARG A 91 6.235 3.506 9.350 1.00 32.32 O ATOM 1532 CB ARG A 91 9.268 4.431 8.276 1.00 41.50 C ATOM 1533 CG ARG A 91 8.912 5.548 9.287 1.00 30.12 C ATOM 1534 CD ARG A 91 9.558 6.913 9.015 1.00 54.14 C ATOM 1535 NE ARG A 91 9.000 7.926 9.938 1.00 44.55 N ATOM 1536 CZ ARG A 91 8.892 9.245 9.703 1.00 54.52 C ATOM 1537 NH1 ARG A 91 9.316 9.779 8.555 1.00 53.22 N ATOM 1538 NH2 ARG A 91 8.343 10.018 10.637 1.00 41.11 N ATOM 0 H ARG A 91 9.512 2.292 6.928 1.00 14.01 H new ATOM 0 HA ARG A 91 8.624 2.798 9.518 1.00 41.11 H new ATOM 0 HB2 ARG A 91 10.327 4.189 8.362 1.00 41.50 H new ATOM 0 HB3 ARG A 91 9.105 4.795 7.262 1.00 41.50 H new ATOM 0 HG2 ARG A 91 7.829 5.673 9.298 1.00 30.12 H new ATOM 0 HG3 ARG A 91 9.205 5.219 10.284 1.00 30.12 H new ATOM 0 HD2 ARG A 91 10.638 6.846 9.144 1.00 54.14 H new ATOM 0 HD3 ARG A 91 9.378 7.211 7.982 1.00 54.14 H new ATOM 0 HE ARG A 91 8.664 7.591 10.841 1.00 44.55 H new ATOM 0 HH11 ARG A 91 9.730 9.184 7.838 1.00 53.22 H new ATOM 0 HH12 ARG A 91 9.225 10.782 8.395 1.00 53.22 H new ATOM 0 HH21 ARG A 91 8.014 9.607 11.511 1.00 41.11 H new ATOM 0 HH22 ARG A 91 8.251 11.022 10.479 1.00 41.11 H new ATOM 1552 N TRP A 92 6.467 3.705 7.110 1.00 32.24 N ATOM 1553 CA TRP A 92 5.069 4.113 6.870 1.00 73.33 C ATOM 1554 C TRP A 92 4.044 3.069 7.337 1.00 44.24 C ATOM 1555 O TRP A 92 2.918 3.433 7.657 1.00 24.13 O ATOM 1556 CB TRP A 92 4.829 4.479 5.384 1.00 34.32 C ATOM 1557 CG TRP A 92 5.772 5.538 4.849 1.00 34.20 C ATOM 1558 CD1 TRP A 92 6.515 5.470 3.710 1.00 62.04 C ATOM 1559 CD2 TRP A 92 6.078 6.810 5.437 1.00 22.32 C ATOM 1560 NE1 TRP A 92 7.282 6.593 3.571 1.00 10.13 N ATOM 1561 CE2 TRP A 92 7.028 7.433 4.612 1.00 3.12 C ATOM 1562 CE3 TRP A 92 5.647 7.473 6.581 1.00 31.13 C ATOM 1563 CZ2 TRP A 92 7.561 8.681 4.899 1.00 74.34 C ATOM 1564 CZ3 TRP A 92 6.167 8.717 6.866 1.00 0.13 C ATOM 1565 CH2 TRP A 92 7.119 9.311 6.026 1.00 2.52 C ATOM 0 H TRP A 92 7.028 3.615 6.263 1.00 32.24 H new ATOM 0 HA TRP A 92 4.915 5.004 7.479 1.00 73.33 H new ATOM 0 HB2 TRP A 92 4.929 3.578 4.778 1.00 34.32 H new ATOM 0 HB3 TRP A 92 3.803 4.829 5.268 1.00 34.32 H new ATOM 0 HD1 TRP A 92 6.500 4.644 3.014 1.00 62.04 H new ATOM 0 HE1 TRP A 92 7.938 6.772 2.811 1.00 10.13 H new ATOM 0 HE3 TRP A 92 4.917 7.020 7.235 1.00 31.13 H new ATOM 0 HZ2 TRP A 92 8.298 9.137 4.255 1.00 74.34 H new ATOM 0 HZ3 TRP A 92 5.836 9.242 7.750 1.00 0.13 H new ATOM 0 HH2 TRP A 92 7.510 10.286 6.276 1.00 2.52 H new ATOM 1576 N ILE A 93 4.444 1.784 7.379 1.00 12.51 N ATOM 1577 CA ILE A 93 3.598 0.696 7.920 1.00 33.31 C ATOM 1578 C ILE A 93 3.483 0.835 9.453 1.00 32.35 C ATOM 1579 O ILE A 93 2.392 0.668 10.017 1.00 63.32 O ATOM 1580 CB ILE A 93 4.177 -0.711 7.516 1.00 53.05 C ATOM 1581 CG1 ILE A 93 4.156 -0.869 5.961 1.00 34.35 C ATOM 1582 CG2 ILE A 93 3.424 -1.879 8.208 1.00 72.12 C ATOM 1583 CD1 ILE A 93 4.864 -2.102 5.440 1.00 55.34 C ATOM 0 H ILE A 93 5.354 1.470 7.043 1.00 12.51 H new ATOM 0 HA ILE A 93 2.599 0.776 7.491 1.00 33.31 H new ATOM 0 HB ILE A 93 5.209 -0.759 7.864 1.00 53.05 H new ATOM 0 HG12 ILE A 93 3.119 -0.894 5.626 1.00 34.35 H new ATOM 0 HG13 ILE A 93 4.615 0.013 5.514 1.00 34.35 H new ATOM 0 HG21 ILE A 93 3.861 -2.828 7.897 1.00 72.12 H new ATOM 0 HG22 ILE A 93 3.510 -1.777 9.290 1.00 72.12 H new ATOM 0 HG23 ILE A 93 2.372 -1.853 7.924 1.00 72.12 H new ATOM 0 HD11 ILE A 93 4.798 -2.127 4.352 1.00 55.34 H new ATOM 0 HD12 ILE A 93 5.912 -2.074 5.739 1.00 55.34 H new ATOM 0 HD13 ILE A 93 4.393 -2.994 5.853 1.00 55.34 H new ATOM 1595 N LYS A 94 4.620 1.155 10.108 1.00 31.31 N ATOM 1596 CA LYS A 94 4.656 1.523 11.542 1.00 72.31 C ATOM 1597 C LYS A 94 3.745 2.740 11.828 1.00 64.24 C ATOM 1598 O LYS A 94 2.905 2.684 12.737 1.00 12.50 O ATOM 1599 CB LYS A 94 6.125 1.807 11.979 1.00 53.30 C ATOM 1600 CG LYS A 94 6.288 2.503 13.348 1.00 72.34 C ATOM 1601 CD LYS A 94 7.766 2.830 13.675 1.00 24.40 C ATOM 1602 CE LYS A 94 7.904 3.795 14.864 1.00 63.32 C ATOM 1603 NZ LYS A 94 7.278 5.117 14.579 1.00 32.20 N ATOM 0 H LYS A 94 5.536 1.166 9.660 1.00 31.31 H new ATOM 0 HA LYS A 94 4.274 0.686 12.126 1.00 72.31 H new ATOM 0 HB2 LYS A 94 6.667 0.862 12.005 1.00 53.30 H new ATOM 0 HB3 LYS A 94 6.599 2.426 11.217 1.00 53.30 H new ATOM 0 HG2 LYS A 94 5.705 3.424 13.355 1.00 72.34 H new ATOM 0 HG3 LYS A 94 5.880 1.861 14.129 1.00 72.34 H new ATOM 0 HD2 LYS A 94 8.299 1.906 13.897 1.00 24.40 H new ATOM 0 HD3 LYS A 94 8.241 3.269 12.797 1.00 24.40 H new ATOM 0 HE2 LYS A 94 7.438 3.355 15.746 1.00 63.32 H new ATOM 0 HE3 LYS A 94 8.959 3.935 15.098 1.00 63.32 H new ATOM 0 HZ1 LYS A 94 7.938 5.877 14.840 1.00 32.20 H new ATOM 0 HZ2 LYS A 94 7.055 5.184 13.565 1.00 32.20 H new ATOM 0 HZ3 LYS A 94 6.403 5.213 15.133 1.00 32.20 H new ATOM 1617 N GLU A 95 3.880 3.806 11.003 1.00 51.52 N ATOM 1618 CA GLU A 95 3.121 5.064 11.178 1.00 61.32 C ATOM 1619 C GLU A 95 1.611 4.814 10.980 1.00 61.43 C ATOM 1620 O GLU A 95 0.781 5.369 11.690 1.00 63.40 O ATOM 1621 CB GLU A 95 3.591 6.157 10.166 1.00 12.03 C ATOM 1622 CG GLU A 95 5.115 6.370 10.054 1.00 61.15 C ATOM 1623 CD GLU A 95 5.816 6.800 11.355 1.00 44.35 C ATOM 1624 OE1 GLU A 95 5.837 8.014 11.657 1.00 44.50 O ATOM 1625 OE2 GLU A 95 6.389 5.938 12.058 1.00 50.23 O ATOM 0 H GLU A 95 4.514 3.817 10.204 1.00 51.52 H new ATOM 0 HA GLU A 95 3.308 5.418 12.192 1.00 61.32 H new ATOM 0 HB2 GLU A 95 3.208 5.898 9.179 1.00 12.03 H new ATOM 0 HB3 GLU A 95 3.132 7.105 10.447 1.00 12.03 H new ATOM 0 HG2 GLU A 95 5.570 5.443 9.705 1.00 61.15 H new ATOM 0 HG3 GLU A 95 5.305 7.126 9.292 1.00 61.15 H new ATOM 1632 N PHE A 96 1.295 3.941 10.004 1.00 75.42 N ATOM 1633 CA PHE A 96 -0.086 3.603 9.597 1.00 24.12 C ATOM 1634 C PHE A 96 -0.780 2.714 10.642 1.00 62.32 C ATOM 1635 O PHE A 96 -2.007 2.757 10.799 1.00 61.31 O ATOM 1636 CB PHE A 96 -0.041 2.898 8.223 1.00 43.14 C ATOM 1637 CG PHE A 96 -1.392 2.534 7.620 1.00 34.14 C ATOM 1638 CD1 PHE A 96 -2.284 3.529 7.214 1.00 1.44 C ATOM 1639 CD2 PHE A 96 -1.760 1.198 7.438 1.00 11.14 C ATOM 1640 CE1 PHE A 96 -3.501 3.195 6.658 1.00 45.51 C ATOM 1641 CE2 PHE A 96 -2.974 0.871 6.884 1.00 22.12 C ATOM 1642 CZ PHE A 96 -3.839 1.866 6.493 1.00 30.54 C ATOM 0 H PHE A 96 2.003 3.441 9.466 1.00 75.42 H new ATOM 0 HA PHE A 96 -0.669 4.521 9.522 1.00 24.12 H new ATOM 0 HB2 PHE A 96 0.487 3.544 7.521 1.00 43.14 H new ATOM 0 HB3 PHE A 96 0.549 1.987 8.322 1.00 43.14 H new ATOM 0 HD1 PHE A 96 -2.018 4.569 7.336 1.00 1.44 H new ATOM 0 HD2 PHE A 96 -1.081 0.413 7.737 1.00 11.14 H new ATOM 0 HE1 PHE A 96 -4.188 3.970 6.352 1.00 45.51 H new ATOM 0 HE2 PHE A 96 -3.248 -0.166 6.756 1.00 22.12 H new ATOM 0 HZ PHE A 96 -4.791 1.606 6.053 1.00 30.54 H new ATOM 1652 N SER A 97 0.022 1.904 11.345 1.00 22.12 N ATOM 1653 CA SER A 97 -0.447 1.098 12.478 1.00 52.40 C ATOM 1654 C SER A 97 -0.791 2.020 13.668 1.00 55.45 C ATOM 1655 O SER A 97 -1.719 1.744 14.436 1.00 14.35 O ATOM 1656 CB SER A 97 0.628 0.060 12.859 1.00 12.00 C ATOM 1657 OG SER A 97 0.177 -0.819 13.879 1.00 11.12 O ATOM 0 H SER A 97 1.015 1.789 11.143 1.00 22.12 H new ATOM 0 HA SER A 97 -1.352 0.559 12.198 1.00 52.40 H new ATOM 0 HB2 SER A 97 0.903 -0.518 11.977 1.00 12.00 H new ATOM 0 HB3 SER A 97 1.527 0.576 13.196 1.00 12.00 H new ATOM 0 HG SER A 97 0.929 -1.356 14.204 1.00 11.12 H new