USER MOD reduce.3.24.130724 H: found=0, std=0, add=1153, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1151 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 65 ASN : amide:sc= 0.0696 K(o=-1.2,f=-2.6) USER MOD Set 1.2: A 69 GLN : amide:sc= -1.23 K(o=-1.2,f=-1.8) USER MOD Set 2.1: A 13 ASN : amide:sc= -0.114 K(o=-0.049,f=-0.61) USER MOD Set 2.2: A 46 TYR OH : rot -4:sc= 0.0658 USER MOD Set 3.1: A 11 LYS NZ :NH3+ -110:sc= -0.586 (180deg=-3.14!) USER MOD Set 3.2: A 24 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 9 THR OG1 : rot 89:sc= 1.23 USER MOD Set 4.2: A 42 MET CE :methyl 180:sc= -0.0593 (180deg=-0.0593) USER MOD Set 5.1: A 4 SER OG : rot -150:sc= 0.00413 USER MOD Set 5.2: A 7 GLN : amide:sc= -2.35 K(o=-2.3,f=-6.7!) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0199 USER MOD Single : A 10 THR OG1 : rot 67:sc= 1.31 USER MOD Single : A 14 THR OG1 : rot -93:sc= 1.26 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0248 X(o=-0.025,f=0) USER MOD Single : A 21 SER OG : rot -153:sc= 0.0115 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 96:sc= 0.506 USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= -0.0127 (180deg=-0.183) USER MOD Single : A 32 GLN : amide:sc= -0.486 X(o=-0.49,f=-0.89!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0162) USER MOD Single : A 44 LYS NZ :NH3+ -159:sc= -0.0454 (180deg=-0.264) USER MOD Single : A 47 MET CE :methyl -125:sc= -2.42 (180deg=-6.35!) USER MOD Single : A 51 SER OG : rot 180:sc= -0.193 USER MOD Single : A 53 ASN : amide:sc= -0.027 K(o=-0.027,f=-1.2!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0737 USER MOD Single : A 57 LYS NZ :NH3+ -124:sc= 0.115 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -140:sc= -0.185 (180deg=-3.37!) USER MOD Single : A 66 HIS : no HD1:sc=-0.00453 X(o=-0.0045,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -121:sc= 0.495 (180deg=-0.0432) USER MOD Single : A 74 GLN : amide:sc= -0.955 K(o=-0.95,f=-2.2!) USER MOD Single : A 75 LYS NZ :NH3+ 158:sc= -0.0543 (180deg=-0.379) USER MOD Single : A 78 GLN : amide:sc=-0.00949 X(o=-0.0095,f=0) USER MOD Single : A 80 GLN : amide:sc= -1.59 K(o=-1.6,f=-0.96) USER MOD Single : A 82 SER OG : rot 81:sc= -0.0796 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -3.56! C(o=-3.6!,f=-5.2!) USER MOD Single : A 96 GLN : amide:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 159:sc= -0.0782 (180deg=-0.349) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0.128 X(o=0.13,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.585) USER MOD Single : A 117 ASN : amide:sc= -0.116 K(o=-0.12,f=-0.69) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.16) USER MOD Single : A 125 ASN : amide:sc= -0.905 K(o=-0.9,f=-0.17) USER MOD Single : A 130 SER OG : rot 159:sc= -0.433 USER MOD Single : A 137 HIS : no HD1:sc= 0 X(o=0,f=-0.0078) USER MOD Single : A 138 HIS : no HD1:sc= -0.127 X(o=-0.13,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA ALA A 2 2.093 -0.001 -1.241 1.00 71.14 C ATOM 3 C ALA A 2 2.708 -1.371 -1.506 1.00 44.10 C ATOM 4 O ALA A 2 2.858 -1.784 -2.656 1.00 43.43 O ATOM 5 CB ALA A 2 3.176 1.066 -1.195 1.00 41.45 C ATOM 0 HA ALA A 2 1.410 0.226 -2.059 1.00 71.14 H new ATOM 0 HB1 ALA A 2 3.739 1.054 -2.128 1.00 41.45 H new ATOM 0 HB2 ALA A 2 2.716 2.045 -1.061 1.00 41.45 H new ATOM 0 HB3 ALA A 2 3.850 0.865 -0.362 1.00 41.45 H new ATOM 11 N PHE A 3 3.064 -2.072 -0.434 1.00 41.34 N ATOM 12 CA PHE A 3 3.665 -3.395 -0.551 1.00 64.02 C ATOM 13 C PHE A 3 2.656 -4.484 -0.200 1.00 30.04 C ATOM 14 O PHE A 3 1.546 -4.196 0.248 1.00 41.41 O ATOM 15 CB PHE A 3 4.889 -3.505 0.360 1.00 3.25 C ATOM 16 CG PHE A 3 5.963 -4.404 -0.183 1.00 34.14 C ATOM 17 CD1 PHE A 3 6.556 -4.136 -1.406 1.00 31.32 C ATOM 18 CD2 PHE A 3 6.379 -5.517 0.530 1.00 13.02 C ATOM 19 CE1 PHE A 3 7.543 -4.963 -1.908 1.00 42.21 C ATOM 20 CE2 PHE A 3 7.366 -6.347 0.033 1.00 10.11 C ATOM 21 CZ PHE A 3 7.950 -6.069 -1.187 1.00 54.33 C ATOM 0 H PHE A 3 2.946 -1.745 0.525 1.00 41.34 H new ATOM 0 HA PHE A 3 3.978 -3.534 -1.586 1.00 64.02 H new ATOM 0 HB2 PHE A 3 5.305 -2.510 0.518 1.00 3.25 H new ATOM 0 HB3 PHE A 3 4.574 -3.877 1.335 1.00 3.25 H new ATOM 0 HD1 PHE A 3 6.244 -3.272 -1.973 1.00 31.32 H new ATOM 0 HD2 PHE A 3 5.927 -5.738 1.485 1.00 13.02 H new ATOM 0 HE1 PHE A 3 7.996 -4.745 -2.864 1.00 42.21 H new ATOM 0 HE2 PHE A 3 7.680 -7.212 0.598 1.00 10.11 H new ATOM 0 HZ PHE A 3 8.723 -6.715 -1.577 1.00 54.33 H new ATOM 31 N SER A 4 3.050 -5.737 -0.406 1.00 52.41 N ATOM 32 CA SER A 4 2.179 -6.869 -0.116 1.00 31.55 C ATOM 33 C SER A 4 1.904 -6.974 1.382 1.00 45.24 C ATOM 34 O SER A 4 2.662 -7.602 2.120 1.00 21.55 O ATOM 35 CB SER A 4 2.810 -8.168 -0.622 1.00 20.05 C ATOM 36 OG SER A 4 3.397 -7.986 -1.899 1.00 32.15 O ATOM 0 H SER A 4 3.967 -5.993 -0.773 1.00 52.41 H new ATOM 0 HA SER A 4 1.232 -6.708 -0.631 1.00 31.55 H new ATOM 0 HB2 SER A 4 3.567 -8.508 0.085 1.00 20.05 H new ATOM 0 HB3 SER A 4 2.051 -8.948 -0.675 1.00 20.05 H new ATOM 0 HG SER A 4 3.360 -8.828 -2.399 1.00 32.15 H new ATOM 42 N SER A 5 0.815 -6.352 1.822 1.00 61.31 N ATOM 43 CA SER A 5 0.441 -6.371 3.231 1.00 22.12 C ATOM 44 C SER A 5 0.282 -7.803 3.732 1.00 22.41 C ATOM 45 O SER A 5 0.417 -8.073 4.925 1.00 22.10 O ATOM 46 CB SER A 5 -0.860 -5.596 3.446 1.00 74.32 C ATOM 47 OG SER A 5 -0.887 -4.416 2.662 1.00 64.23 O ATOM 0 H SER A 5 0.176 -5.829 1.223 1.00 61.31 H new ATOM 0 HA SER A 5 1.239 -5.892 3.799 1.00 22.12 H new ATOM 0 HB2 SER A 5 -1.710 -6.228 3.187 1.00 74.32 H new ATOM 0 HB3 SER A 5 -0.963 -5.338 4.500 1.00 74.32 H new ATOM 0 HG SER A 5 -1.730 -3.940 2.816 1.00 64.23 H new ATOM 53 N GLU A 6 -0.006 -8.717 2.811 1.00 63.44 N ATOM 54 CA GLU A 6 -0.184 -10.122 3.159 1.00 71.14 C ATOM 55 C GLU A 6 1.077 -10.687 3.806 1.00 43.22 C ATOM 56 O GLU A 6 1.003 -11.516 4.712 1.00 5.23 O ATOM 57 CB GLU A 6 -0.541 -10.938 1.914 1.00 43.40 C ATOM 58 CG GLU A 6 -1.182 -12.279 2.228 1.00 15.51 C ATOM 59 CD GLU A 6 -1.040 -13.274 1.093 1.00 41.31 C ATOM 60 OE1 GLU A 6 0.109 -13.595 0.726 1.00 64.31 O ATOM 61 OE2 GLU A 6 -2.079 -13.731 0.572 1.00 62.02 O ATOM 0 H GLU A 6 -0.121 -8.510 1.819 1.00 63.44 H new ATOM 0 HA GLU A 6 -1.002 -10.191 3.877 1.00 71.14 H new ATOM 0 HB2 GLU A 6 -1.221 -10.357 1.292 1.00 43.40 H new ATOM 0 HB3 GLU A 6 0.363 -11.105 1.328 1.00 43.40 H new ATOM 0 HG2 GLU A 6 -0.727 -12.693 3.128 1.00 15.51 H new ATOM 0 HG3 GLU A 6 -2.240 -12.130 2.445 1.00 15.51 H new ATOM 68 N GLN A 7 2.233 -10.231 3.332 1.00 33.54 N ATOM 69 CA GLN A 7 3.510 -10.692 3.864 1.00 61.01 C ATOM 70 C GLN A 7 3.705 -10.218 5.300 1.00 34.34 C ATOM 71 O GLN A 7 3.957 -11.020 6.201 1.00 55.44 O ATOM 72 CB GLN A 7 4.661 -10.192 2.989 1.00 53.40 C ATOM 73 CG GLN A 7 4.981 -11.111 1.821 1.00 4.43 C ATOM 74 CD GLN A 7 4.085 -10.867 0.624 1.00 73.05 C ATOM 75 OE1 GLN A 7 2.859 -10.901 0.734 1.00 12.11 O ATOM 76 NE2 GLN A 7 4.693 -10.619 -0.531 1.00 34.22 N ATOM 0 H GLN A 7 2.311 -9.544 2.582 1.00 33.54 H new ATOM 0 HA GLN A 7 3.505 -11.782 3.858 1.00 61.01 H new ATOM 0 HB2 GLN A 7 4.411 -9.203 2.605 1.00 53.40 H new ATOM 0 HB3 GLN A 7 5.552 -10.078 3.606 1.00 53.40 H new ATOM 0 HG2 GLN A 7 6.021 -10.969 1.526 1.00 4.43 H new ATOM 0 HG3 GLN A 7 4.879 -12.148 2.141 1.00 4.43 H new ATOM 0 HE21 GLN A 7 5.712 -10.600 -0.577 1.00 34.22 H new ATOM 0 HE22 GLN A 7 4.141 -10.447 -1.371 1.00 34.22 H new ATOM 85 N PHE A 8 3.587 -8.911 5.508 1.00 34.02 N ATOM 86 CA PHE A 8 3.751 -8.330 6.836 1.00 51.04 C ATOM 87 C PHE A 8 2.763 -8.943 7.824 1.00 55.44 C ATOM 88 O PHE A 8 3.099 -9.194 8.981 1.00 35.14 O ATOM 89 CB PHE A 8 3.559 -6.813 6.779 1.00 73.11 C ATOM 90 CG PHE A 8 3.979 -6.108 8.037 1.00 70.12 C ATOM 91 CD1 PHE A 8 5.181 -6.418 8.652 1.00 64.24 C ATOM 92 CD2 PHE A 8 3.172 -5.135 8.604 1.00 21.11 C ATOM 93 CE1 PHE A 8 5.570 -5.772 9.810 1.00 40.44 C ATOM 94 CE2 PHE A 8 3.556 -4.485 9.762 1.00 53.31 C ATOM 95 CZ PHE A 8 4.757 -4.803 10.365 1.00 51.23 C ATOM 0 H PHE A 8 3.378 -8.234 4.774 1.00 34.02 H new ATOM 0 HA PHE A 8 4.762 -8.549 7.179 1.00 51.04 H new ATOM 0 HB2 PHE A 8 4.130 -6.414 5.940 1.00 73.11 H new ATOM 0 HB3 PHE A 8 2.509 -6.595 6.583 1.00 73.11 H new ATOM 0 HD1 PHE A 8 5.822 -7.173 8.221 1.00 64.24 H new ATOM 0 HD2 PHE A 8 2.232 -4.881 8.136 1.00 21.11 H new ATOM 0 HE1 PHE A 8 6.509 -6.025 10.281 1.00 40.44 H new ATOM 0 HE2 PHE A 8 2.917 -3.729 10.195 1.00 53.31 H new ATOM 0 HZ PHE A 8 5.060 -4.295 11.269 1.00 51.23 H new ATOM 105 N THR A 9 1.540 -9.180 7.358 1.00 20.32 N ATOM 106 CA THR A 9 0.501 -9.761 8.199 1.00 25.45 C ATOM 107 C THR A 9 0.779 -11.234 8.477 1.00 21.33 C ATOM 108 O THR A 9 0.800 -11.667 9.630 1.00 0.33 O ATOM 109 CB THR A 9 -0.889 -9.626 7.550 1.00 63.31 C ATOM 110 OG1 THR A 9 -1.071 -8.295 7.055 1.00 11.04 O ATOM 111 CG2 THR A 9 -1.987 -9.957 8.549 1.00 12.41 C ATOM 0 H THR A 9 1.245 -8.978 6.403 1.00 20.32 H new ATOM 0 HA THR A 9 0.510 -9.209 9.139 1.00 25.45 H new ATOM 0 HB THR A 9 -0.950 -10.332 6.722 1.00 63.31 H new ATOM 0 HG1 THR A 9 -0.742 -8.241 6.133 1.00 11.04 H new ATOM 0 HG21 THR A 9 -2.960 -9.855 8.068 1.00 12.41 H new ATOM 0 HG22 THR A 9 -1.862 -10.981 8.901 1.00 12.41 H new ATOM 0 HG23 THR A 9 -1.927 -9.273 9.395 1.00 12.41 H new ATOM 119 N THR A 10 0.993 -12.002 7.414 1.00 70.55 N ATOM 120 CA THR A 10 1.269 -13.428 7.543 1.00 1.40 C ATOM 121 C THR A 10 2.488 -13.674 8.425 1.00 52.40 C ATOM 122 O THR A 10 2.544 -14.656 9.165 1.00 14.23 O ATOM 123 CB THR A 10 1.504 -14.081 6.168 1.00 21.53 C ATOM 124 OG1 THR A 10 0.334 -13.945 5.355 1.00 74.44 O ATOM 125 CG2 THR A 10 1.853 -15.554 6.322 1.00 74.20 C ATOM 0 H THR A 10 0.981 -11.660 6.453 1.00 70.55 H new ATOM 0 HA THR A 10 0.392 -13.880 8.006 1.00 1.40 H new ATOM 0 HB THR A 10 2.340 -13.574 5.687 1.00 21.53 H new ATOM 0 HG1 THR A 10 0.197 -13.000 5.135 1.00 74.44 H new ATOM 0 HG21 THR A 10 2.015 -15.994 5.338 1.00 74.20 H new ATOM 0 HG22 THR A 10 2.761 -15.653 6.917 1.00 74.20 H new ATOM 0 HG23 THR A 10 1.034 -16.072 6.821 1.00 74.20 H new ATOM 133 N LYS A 11 3.463 -12.775 8.342 1.00 23.22 N ATOM 134 CA LYS A 11 4.682 -12.893 9.134 1.00 13.24 C ATOM 135 C LYS A 11 4.428 -12.497 10.585 1.00 34.35 C ATOM 136 O LYS A 11 4.853 -13.189 11.512 1.00 41.22 O ATOM 137 CB LYS A 11 5.787 -12.015 8.542 1.00 73.54 C ATOM 138 CG LYS A 11 6.472 -12.633 7.335 1.00 23.12 C ATOM 139 CD LYS A 11 7.904 -12.144 7.196 1.00 1.23 C ATOM 140 CE LYS A 11 8.848 -12.917 8.105 1.00 51.24 C ATOM 141 NZ LYS A 11 10.261 -12.478 7.938 1.00 22.21 N ATOM 0 H LYS A 11 3.433 -11.956 7.734 1.00 23.22 H new ATOM 0 HA LYS A 11 5.001 -13.935 9.110 1.00 13.24 H new ATOM 0 HB2 LYS A 11 5.361 -11.053 8.255 1.00 73.54 H new ATOM 0 HB3 LYS A 11 6.533 -11.817 9.311 1.00 73.54 H new ATOM 0 HG2 LYS A 11 6.465 -13.719 7.428 1.00 23.12 H new ATOM 0 HG3 LYS A 11 5.913 -12.386 6.432 1.00 23.12 H new ATOM 0 HD2 LYS A 11 8.227 -12.250 6.160 1.00 1.23 H new ATOM 0 HD3 LYS A 11 7.952 -11.082 7.438 1.00 1.23 H new ATOM 0 HE2 LYS A 11 8.545 -12.781 9.143 1.00 51.24 H new ATOM 0 HE3 LYS A 11 8.770 -13.982 7.888 1.00 51.24 H new ATOM 0 HZ1 LYS A 11 10.805 -13.230 7.470 1.00 22.21 H new ATOM 0 HZ2 LYS A 11 10.290 -11.616 7.356 1.00 22.21 H new ATOM 0 HZ3 LYS A 11 10.676 -12.280 8.871 1.00 22.21 H new ATOM 155 N LEU A 12 3.731 -11.383 10.777 1.00 53.34 N ATOM 156 CA LEU A 12 3.418 -10.896 12.116 1.00 41.12 C ATOM 157 C LEU A 12 2.584 -11.915 12.885 1.00 71.42 C ATOM 158 O LEU A 12 2.750 -12.083 14.092 1.00 35.32 O ATOM 159 CB LEU A 12 2.669 -9.565 12.034 1.00 2.41 C ATOM 160 CG LEU A 12 3.532 -8.322 11.812 1.00 53.21 C ATOM 161 CD1 LEU A 12 2.678 -7.158 11.333 1.00 13.14 C ATOM 162 CD2 LEU A 12 4.273 -7.952 13.088 1.00 24.22 C ATOM 0 H LEU A 12 3.371 -10.799 10.022 1.00 53.34 H new ATOM 0 HA LEU A 12 4.357 -10.745 12.649 1.00 41.12 H new ATOM 0 HB2 LEU A 12 1.943 -9.629 11.223 1.00 2.41 H new ATOM 0 HB3 LEU A 12 2.105 -9.431 12.957 1.00 2.41 H new ATOM 0 HG LEU A 12 4.268 -8.548 11.041 1.00 53.21 H new ATOM 0 HD11 LEU A 12 3.309 -6.282 11.180 1.00 13.14 H new ATOM 0 HD12 LEU A 12 2.194 -7.424 10.394 1.00 13.14 H new ATOM 0 HD13 LEU A 12 1.918 -6.932 12.081 1.00 13.14 H new ATOM 0 HD21 LEU A 12 4.882 -7.065 12.911 1.00 24.22 H new ATOM 0 HD22 LEU A 12 3.553 -7.746 13.880 1.00 24.22 H new ATOM 0 HD23 LEU A 12 4.916 -8.779 13.388 1.00 24.22 H new ATOM 174 N ASN A 13 1.688 -12.595 12.176 1.00 43.11 N ATOM 175 CA ASN A 13 0.829 -13.600 12.792 1.00 41.33 C ATOM 176 C ASN A 13 1.628 -14.846 13.161 1.00 73.24 C ATOM 177 O ASN A 13 1.263 -15.583 14.078 1.00 40.41 O ATOM 178 CB ASN A 13 -0.313 -13.974 11.845 1.00 41.23 C ATOM 179 CG ASN A 13 -1.517 -13.066 12.004 1.00 33.23 C ATOM 180 OD1 ASN A 13 -1.922 -12.744 13.121 1.00 30.15 O ATOM 181 ND2 ASN A 13 -2.096 -12.649 10.884 1.00 34.33 N ATOM 0 H ASN A 13 1.538 -12.468 11.175 1.00 43.11 H new ATOM 0 HA ASN A 13 0.411 -13.175 13.705 1.00 41.33 H new ATOM 0 HB2 ASN A 13 0.042 -13.925 10.815 1.00 41.23 H new ATOM 0 HB3 ASN A 13 -0.612 -15.006 12.031 1.00 41.23 H new ATOM 0 HD21 ASN A 13 -2.910 -12.037 10.928 1.00 34.33 H new ATOM 0 HD22 ASN A 13 -1.726 -12.941 9.979 1.00 34.33 H new ATOM 188 N THR A 14 2.721 -15.077 12.440 1.00 73.13 N ATOM 189 CA THR A 14 3.571 -16.234 12.690 1.00 1.20 C ATOM 190 C THR A 14 4.895 -15.817 13.321 1.00 51.14 C ATOM 191 O THR A 14 5.882 -16.551 13.259 1.00 42.10 O ATOM 192 CB THR A 14 3.857 -17.013 11.392 1.00 15.31 C ATOM 193 OG1 THR A 14 4.397 -16.132 10.401 1.00 53.31 O ATOM 194 CG2 THR A 14 2.588 -17.664 10.862 1.00 62.01 C ATOM 0 H THR A 14 3.038 -14.478 11.678 1.00 73.13 H new ATOM 0 HA THR A 14 3.029 -16.880 13.381 1.00 1.20 H new ATOM 0 HB THR A 14 4.582 -17.795 11.615 1.00 15.31 H new ATOM 0 HG1 THR A 14 3.670 -15.778 9.847 1.00 53.31 H new ATOM 0 HG21 THR A 14 2.814 -18.208 9.945 1.00 62.01 H new ATOM 0 HG22 THR A 14 2.195 -18.356 11.607 1.00 62.01 H new ATOM 0 HG23 THR A 14 1.844 -16.895 10.653 1.00 62.01 H new ATOM 202 N LEU A 15 4.909 -14.635 13.927 1.00 25.34 N ATOM 203 CA LEU A 15 6.113 -14.120 14.571 1.00 62.51 C ATOM 204 C LEU A 15 6.373 -14.837 15.892 1.00 1.23 C ATOM 205 O LEU A 15 5.494 -14.915 16.750 1.00 40.13 O ATOM 206 CB LEU A 15 5.983 -12.615 14.811 1.00 62.33 C ATOM 207 CG LEU A 15 6.670 -11.711 13.787 1.00 50.22 C ATOM 208 CD1 LEU A 15 6.428 -10.247 14.120 1.00 15.12 C ATOM 209 CD2 LEU A 15 8.162 -12.007 13.729 1.00 15.44 C ATOM 0 H LEU A 15 4.101 -14.015 13.986 1.00 25.34 H new ATOM 0 HA LEU A 15 6.958 -14.304 13.907 1.00 62.51 H new ATOM 0 HB2 LEU A 15 4.923 -12.362 14.837 1.00 62.33 H new ATOM 0 HB3 LEU A 15 6.389 -12.388 15.797 1.00 62.33 H new ATOM 0 HG LEU A 15 6.241 -11.915 12.806 1.00 50.22 H new ATOM 0 HD11 LEU A 15 6.924 -9.619 13.380 1.00 15.12 H new ATOM 0 HD12 LEU A 15 5.357 -10.044 14.109 1.00 15.12 H new ATOM 0 HD13 LEU A 15 6.829 -10.028 15.110 1.00 15.12 H new ATOM 0 HD21 LEU A 15 8.634 -11.354 12.995 1.00 15.44 H new ATOM 0 HD22 LEU A 15 8.606 -11.832 14.709 1.00 15.44 H new ATOM 0 HD23 LEU A 15 8.316 -13.047 13.441 1.00 15.44 H new ATOM 221 N GLU A 16 7.587 -15.356 16.049 1.00 32.14 N ATOM 222 CA GLU A 16 7.962 -16.065 17.267 1.00 10.44 C ATOM 223 C GLU A 16 9.009 -15.280 18.053 1.00 54.41 C ATOM 224 O GLU A 16 9.629 -14.354 17.529 1.00 74.24 O ATOM 225 CB GLU A 16 8.500 -17.456 16.929 1.00 22.41 C ATOM 226 CG GLU A 16 7.421 -18.523 16.846 1.00 51.43 C ATOM 227 CD GLU A 16 6.498 -18.327 15.659 1.00 61.05 C ATOM 228 OE1 GLU A 16 5.500 -17.590 15.799 1.00 13.21 O ATOM 229 OE2 GLU A 16 6.774 -18.911 14.590 1.00 55.33 O ATOM 0 H GLU A 16 8.327 -15.299 15.349 1.00 32.14 H new ATOM 0 HA GLU A 16 7.070 -16.169 17.885 1.00 10.44 H new ATOM 0 HB2 GLU A 16 9.028 -17.410 15.976 1.00 22.41 H new ATOM 0 HB3 GLU A 16 9.230 -17.747 17.684 1.00 22.41 H new ATOM 0 HG2 GLU A 16 7.890 -19.505 16.779 1.00 51.43 H new ATOM 0 HG3 GLU A 16 6.834 -18.513 17.764 1.00 51.43 H new ATOM 236 N ASP A 17 9.199 -15.656 19.313 1.00 52.43 N ATOM 237 CA ASP A 17 10.170 -14.988 20.172 1.00 62.15 C ATOM 238 C ASP A 17 11.565 -15.571 19.969 1.00 44.30 C ATOM 239 O ASP A 17 11.970 -16.497 20.672 1.00 42.23 O ATOM 240 CB ASP A 17 9.758 -15.116 21.639 1.00 65.31 C ATOM 241 CG ASP A 17 10.333 -14.009 22.500 1.00 12.23 C ATOM 242 OD1 ASP A 17 11.379 -13.443 22.120 1.00 43.12 O ATOM 243 OD2 ASP A 17 9.735 -13.707 23.554 1.00 23.34 O ATOM 0 H ASP A 17 8.694 -16.420 19.762 1.00 52.43 H new ATOM 0 HA ASP A 17 10.194 -13.933 19.901 1.00 62.15 H new ATOM 0 HB2 ASP A 17 8.670 -15.100 21.711 1.00 65.31 H new ATOM 0 HB3 ASP A 17 10.089 -16.081 22.024 1.00 65.31 H new ATOM 248 N SER A 18 12.296 -15.022 19.003 1.00 33.51 N ATOM 249 CA SER A 18 13.644 -15.491 18.705 1.00 51.04 C ATOM 250 C SER A 18 14.506 -14.356 18.161 1.00 54.55 C ATOM 251 O SER A 18 14.014 -13.470 17.461 1.00 31.15 O ATOM 252 CB SER A 18 13.596 -16.639 17.694 1.00 13.13 C ATOM 253 OG SER A 18 14.855 -17.281 17.591 1.00 12.23 O ATOM 0 H SER A 18 11.977 -14.253 18.414 1.00 33.51 H new ATOM 0 HA SER A 18 14.090 -15.851 19.632 1.00 51.04 H new ATOM 0 HB2 SER A 18 12.839 -17.363 17.996 1.00 13.13 H new ATOM 0 HB3 SER A 18 13.299 -16.256 16.718 1.00 13.13 H new ATOM 0 HG SER A 18 14.797 -18.012 16.940 1.00 12.23 H new ATOM 259 N GLN A 19 15.793 -14.390 18.487 1.00 4.32 N ATOM 260 CA GLN A 19 16.724 -13.363 18.032 1.00 31.43 C ATOM 261 C GLN A 19 16.808 -13.341 16.510 1.00 63.53 C ATOM 262 O GLN A 19 16.924 -12.278 15.901 1.00 72.51 O ATOM 263 CB GLN A 19 18.112 -13.603 18.628 1.00 20.25 C ATOM 264 CG GLN A 19 18.274 -13.051 20.036 1.00 55.04 C ATOM 265 CD GLN A 19 18.794 -11.627 20.048 1.00 71.24 C ATOM 266 OE1 GLN A 19 19.993 -11.394 20.199 1.00 3.41 O ATOM 267 NE2 GLN A 19 17.892 -10.666 19.887 1.00 1.43 N ATOM 0 H GLN A 19 16.216 -15.117 19.064 1.00 4.32 H new ATOM 0 HA GLN A 19 16.353 -12.396 18.371 1.00 31.43 H new ATOM 0 HB2 GLN A 19 18.312 -14.674 18.642 1.00 20.25 H new ATOM 0 HB3 GLN A 19 18.860 -13.147 17.980 1.00 20.25 H new ATOM 0 HG2 GLN A 19 17.313 -13.087 20.549 1.00 55.04 H new ATOM 0 HG3 GLN A 19 18.958 -13.689 20.596 1.00 55.04 H new ATOM 0 HE21 GLN A 19 16.908 -10.905 19.765 1.00 1.43 H new ATOM 0 HE22 GLN A 19 18.183 -9.688 19.885 1.00 1.43 H new ATOM 276 N GLU A 20 16.750 -14.522 15.902 1.00 64.25 N ATOM 277 CA GLU A 20 16.822 -14.637 14.450 1.00 73.23 C ATOM 278 C GLU A 20 15.503 -14.220 13.805 1.00 11.54 C ATOM 279 O GLU A 20 15.486 -13.649 12.715 1.00 71.34 O ATOM 280 CB GLU A 20 17.167 -16.072 14.046 1.00 63.11 C ATOM 281 CG GLU A 20 18.661 -16.340 13.970 1.00 30.12 C ATOM 282 CD GLU A 20 18.982 -17.681 13.338 1.00 12.34 C ATOM 283 OE1 GLU A 20 18.895 -17.787 12.097 1.00 12.10 O ATOM 284 OE2 GLU A 20 19.320 -18.623 14.085 1.00 75.24 O ATOM 0 H GLU A 20 16.653 -15.411 16.392 1.00 64.25 H new ATOM 0 HA GLU A 20 17.607 -13.968 14.097 1.00 73.23 H new ATOM 0 HB2 GLU A 20 16.719 -16.760 14.763 1.00 63.11 H new ATOM 0 HB3 GLU A 20 16.718 -16.285 13.076 1.00 63.11 H new ATOM 0 HG2 GLU A 20 19.140 -15.548 13.395 1.00 30.12 H new ATOM 0 HG3 GLU A 20 19.084 -16.305 14.974 1.00 30.12 H new ATOM 291 N SER A 21 14.400 -14.508 14.488 1.00 32.43 N ATOM 292 CA SER A 21 13.076 -14.167 13.982 1.00 73.34 C ATOM 293 C SER A 21 12.938 -12.660 13.793 1.00 41.43 C ATOM 294 O SER A 21 12.519 -12.192 12.733 1.00 5.45 O ATOM 295 CB SER A 21 11.994 -14.674 14.938 1.00 3.30 C ATOM 296 OG SER A 21 10.700 -14.333 14.471 1.00 5.34 O ATOM 0 H SER A 21 14.397 -14.977 15.394 1.00 32.43 H new ATOM 0 HA SER A 21 12.950 -14.650 13.013 1.00 73.34 H new ATOM 0 HB2 SER A 21 12.073 -15.756 15.041 1.00 3.30 H new ATOM 0 HB3 SER A 21 12.151 -14.247 15.929 1.00 3.30 H new ATOM 0 HG SER A 21 10.087 -14.259 15.232 1.00 5.34 H new ATOM 302 N ILE A 22 13.293 -11.905 14.827 1.00 24.43 N ATOM 303 CA ILE A 22 13.211 -10.451 14.776 1.00 71.03 C ATOM 304 C ILE A 22 14.001 -9.897 13.595 1.00 60.10 C ATOM 305 O ILE A 22 13.514 -9.043 12.855 1.00 53.23 O ATOM 306 CB ILE A 22 13.735 -9.811 16.075 1.00 73.00 C ATOM 307 CG1 ILE A 22 12.918 -10.298 17.274 1.00 4.21 C ATOM 308 CG2 ILE A 22 13.686 -8.294 15.975 1.00 1.30 C ATOM 309 CD1 ILE A 22 11.470 -9.863 17.236 1.00 3.50 C ATOM 0 H ILE A 22 13.640 -12.277 15.711 1.00 24.43 H new ATOM 0 HA ILE A 22 12.157 -10.199 14.656 1.00 71.03 H new ATOM 0 HB ILE A 22 14.772 -10.113 16.219 1.00 73.00 H new ATOM 0 HG12 ILE A 22 12.961 -11.386 17.314 1.00 4.21 H new ATOM 0 HG13 ILE A 22 13.376 -9.927 18.191 1.00 4.21 H new ATOM 0 HG21 ILE A 22 14.059 -7.856 16.901 1.00 1.30 H new ATOM 0 HG22 ILE A 22 14.306 -7.964 15.141 1.00 1.30 H new ATOM 0 HG23 ILE A 22 12.657 -7.973 15.811 1.00 1.30 H new ATOM 0 HD11 ILE A 22 10.952 -10.244 18.116 1.00 3.50 H new ATOM 0 HD12 ILE A 22 11.417 -8.774 17.227 1.00 3.50 H new ATOM 0 HD13 ILE A 22 10.995 -10.257 16.337 1.00 3.50 H new ATOM 321 N SER A 23 15.223 -10.391 13.424 1.00 42.20 N ATOM 322 CA SER A 23 16.083 -9.944 12.334 1.00 55.01 C ATOM 323 C SER A 23 15.520 -10.382 10.985 1.00 45.42 C ATOM 324 O SER A 23 15.562 -9.632 10.010 1.00 43.54 O ATOM 325 CB SER A 23 17.498 -10.496 12.513 1.00 70.31 C ATOM 326 OG SER A 23 18.440 -9.732 11.780 1.00 20.13 O ATOM 0 H SER A 23 15.640 -11.101 14.026 1.00 42.20 H new ATOM 0 HA SER A 23 16.121 -8.855 12.356 1.00 55.01 H new ATOM 0 HB2 SER A 23 17.763 -10.489 13.570 1.00 70.31 H new ATOM 0 HB3 SER A 23 17.531 -11.534 12.183 1.00 70.31 H new ATOM 0 HG SER A 23 19.337 -10.104 11.912 1.00 20.13 H new ATOM 332 N SER A 24 14.995 -11.601 10.937 1.00 33.54 N ATOM 333 CA SER A 24 14.427 -12.142 9.708 1.00 63.13 C ATOM 334 C SER A 24 13.374 -11.199 9.135 1.00 52.21 C ATOM 335 O SER A 24 13.406 -10.859 7.953 1.00 60.45 O ATOM 336 CB SER A 24 13.809 -13.517 9.968 1.00 65.43 C ATOM 337 OG SER A 24 13.014 -13.934 8.872 1.00 72.42 O ATOM 0 H SER A 24 14.951 -12.234 11.736 1.00 33.54 H new ATOM 0 HA SER A 24 15.232 -12.245 8.980 1.00 63.13 H new ATOM 0 HB2 SER A 24 14.599 -14.246 10.147 1.00 65.43 H new ATOM 0 HB3 SER A 24 13.199 -13.480 10.871 1.00 65.43 H new ATOM 0 HG SER A 24 12.632 -14.816 9.062 1.00 72.42 H new ATOM 343 N ALA A 25 12.441 -10.779 9.983 1.00 34.30 N ATOM 344 CA ALA A 25 11.378 -9.874 9.563 1.00 2.12 C ATOM 345 C ALA A 25 11.886 -8.439 9.466 1.00 20.30 C ATOM 346 O ALA A 25 11.516 -7.700 8.554 1.00 70.21 O ATOM 347 CB ALA A 25 10.203 -9.956 10.527 1.00 45.14 C ATOM 0 H ALA A 25 12.400 -11.051 10.965 1.00 34.30 H new ATOM 0 HA ALA A 25 11.043 -10.181 8.572 1.00 2.12 H new ATOM 0 HB1 ALA A 25 9.417 -9.275 10.201 1.00 45.14 H new ATOM 0 HB2 ALA A 25 9.817 -10.975 10.544 1.00 45.14 H new ATOM 0 HB3 ALA A 25 10.533 -9.677 11.528 1.00 45.14 H new ATOM 353 N SER A 26 12.735 -8.052 10.412 1.00 0.44 N ATOM 354 CA SER A 26 13.290 -6.703 10.436 1.00 61.33 C ATOM 355 C SER A 26 13.950 -6.365 9.103 1.00 44.44 C ATOM 356 O SER A 26 13.719 -5.297 8.535 1.00 74.14 O ATOM 357 CB SER A 26 14.307 -6.567 11.571 1.00 71.24 C ATOM 358 OG SER A 26 13.658 -6.425 12.822 1.00 21.34 O ATOM 0 H SER A 26 13.054 -8.653 11.172 1.00 0.44 H new ATOM 0 HA SER A 26 12.472 -6.002 10.605 1.00 61.33 H new ATOM 0 HB2 SER A 26 14.954 -7.444 11.591 1.00 71.24 H new ATOM 0 HB3 SER A 26 14.946 -5.703 11.389 1.00 71.24 H new ATOM 0 HG SER A 26 13.601 -7.299 13.262 1.00 21.34 H new ATOM 364 N LYS A 27 14.775 -7.282 8.608 1.00 0.33 N ATOM 365 CA LYS A 27 15.470 -7.084 7.342 1.00 54.43 C ATOM 366 C LYS A 27 14.480 -6.784 6.220 1.00 65.12 C ATOM 367 O LYS A 27 14.729 -5.925 5.374 1.00 52.11 O ATOM 368 CB LYS A 27 16.296 -8.323 6.990 1.00 12.12 C ATOM 369 CG LYS A 27 17.765 -8.199 7.356 1.00 14.53 C ATOM 370 CD LYS A 27 17.966 -8.195 8.862 1.00 15.25 C ATOM 371 CE LYS A 27 19.352 -7.695 9.239 1.00 51.13 C ATOM 372 NZ LYS A 27 19.497 -6.232 9.003 1.00 52.30 N ATOM 0 H LYS A 27 14.978 -8.171 9.065 1.00 0.33 H new ATOM 0 HA LYS A 27 16.138 -6.230 7.452 1.00 54.43 H new ATOM 0 HB2 LYS A 27 15.874 -9.188 7.502 1.00 12.12 H new ATOM 0 HB3 LYS A 27 16.212 -8.514 5.920 1.00 12.12 H new ATOM 0 HG2 LYS A 27 18.322 -9.026 6.916 1.00 14.53 H new ATOM 0 HG3 LYS A 27 18.170 -7.281 6.931 1.00 14.53 H new ATOM 0 HD2 LYS A 27 17.211 -7.563 9.329 1.00 15.25 H new ATOM 0 HD3 LYS A 27 17.823 -9.203 9.252 1.00 15.25 H new ATOM 0 HE2 LYS A 27 19.544 -7.914 10.289 1.00 51.13 H new ATOM 0 HE3 LYS A 27 20.102 -8.233 8.659 1.00 51.13 H new ATOM 0 HZ1 LYS A 27 20.323 -5.876 9.525 1.00 52.30 H new ATOM 0 HZ2 LYS A 27 19.627 -6.056 7.986 1.00 52.30 H new ATOM 0 HZ3 LYS A 27 18.642 -5.741 9.333 1.00 52.30 H new ATOM 386 N TRP A 28 13.360 -7.496 6.220 1.00 33.40 N ATOM 387 CA TRP A 28 12.333 -7.305 5.202 1.00 35.03 C ATOM 388 C TRP A 28 11.689 -5.929 5.331 1.00 52.14 C ATOM 389 O TRP A 28 11.431 -5.257 4.331 1.00 72.54 O ATOM 390 CB TRP A 28 11.264 -8.394 5.315 1.00 4.04 C ATOM 391 CG TRP A 28 10.213 -8.307 4.251 1.00 72.41 C ATOM 392 CD1 TRP A 28 10.389 -8.486 2.908 1.00 10.44 C ATOM 393 CD2 TRP A 28 8.823 -8.019 4.441 1.00 63.15 C ATOM 394 NE1 TRP A 28 9.193 -8.325 2.252 1.00 75.40 N ATOM 395 CE2 TRP A 28 8.216 -8.040 3.169 1.00 4.54 C ATOM 396 CE3 TRP A 28 8.032 -7.748 5.560 1.00 3.21 C ATOM 397 CZ2 TRP A 28 6.857 -7.798 2.990 1.00 40.30 C ATOM 398 CZ3 TRP A 28 6.683 -7.508 5.380 1.00 4.42 C ATOM 399 CH2 TRP A 28 6.106 -7.535 4.104 1.00 45.44 C ATOM 0 H TRP A 28 13.139 -8.211 6.913 1.00 33.40 H new ATOM 0 HA TRP A 28 12.809 -7.373 4.224 1.00 35.03 H new ATOM 0 HB2 TRP A 28 11.744 -9.371 5.262 1.00 4.04 H new ATOM 0 HB3 TRP A 28 10.787 -8.325 6.293 1.00 4.04 H new ATOM 0 HD1 TRP A 28 11.330 -8.720 2.432 1.00 10.44 H new ATOM 0 HE1 TRP A 28 9.055 -8.405 1.245 1.00 75.40 H new ATOM 0 HE3 TRP A 28 8.467 -7.726 6.548 1.00 3.21 H new ATOM 0 HZ2 TRP A 28 6.411 -7.817 2.007 1.00 40.30 H new ATOM 0 HZ3 TRP A 28 6.063 -7.296 6.238 1.00 4.42 H new ATOM 0 HH2 TRP A 28 5.048 -7.345 3.997 1.00 45.44 H new ATOM 410 N LEU A 29 11.432 -5.514 6.566 1.00 54.20 N ATOM 411 CA LEU A 29 10.818 -4.216 6.825 1.00 54.03 C ATOM 412 C LEU A 29 11.780 -3.081 6.489 1.00 62.55 C ATOM 413 O LEU A 29 11.361 -1.999 6.077 1.00 1.31 O ATOM 414 CB LEU A 29 10.386 -4.117 8.289 1.00 50.21 C ATOM 415 CG LEU A 29 8.997 -4.664 8.618 1.00 74.34 C ATOM 416 CD1 LEU A 29 8.896 -5.012 10.095 1.00 55.33 C ATOM 417 CD2 LEU A 29 7.922 -3.659 8.229 1.00 32.45 C ATOM 0 H LEU A 29 11.639 -6.057 7.404 1.00 54.20 H new ATOM 0 HA LEU A 29 9.940 -4.124 6.186 1.00 54.03 H new ATOM 0 HB2 LEU A 29 11.117 -4.647 8.899 1.00 50.21 H new ATOM 0 HB3 LEU A 29 10.422 -3.069 8.587 1.00 50.21 H new ATOM 0 HG LEU A 29 8.840 -5.575 8.040 1.00 74.34 H new ATOM 0 HD11 LEU A 29 7.900 -5.400 10.310 1.00 55.33 H new ATOM 0 HD12 LEU A 29 9.641 -5.768 10.342 1.00 55.33 H new ATOM 0 HD13 LEU A 29 9.074 -4.118 10.692 1.00 55.33 H new ATOM 0 HD21 LEU A 29 6.940 -4.065 8.470 1.00 32.45 H new ATOM 0 HD22 LEU A 29 8.076 -2.731 8.779 1.00 32.45 H new ATOM 0 HD23 LEU A 29 7.980 -3.461 7.159 1.00 32.45 H new ATOM 429 N LEU A 30 13.072 -3.337 6.664 1.00 31.12 N ATOM 430 CA LEU A 30 14.095 -2.338 6.377 1.00 4.02 C ATOM 431 C LEU A 30 14.011 -1.873 4.927 1.00 64.42 C ATOM 432 O LEU A 30 14.391 -0.748 4.601 1.00 1.31 O ATOM 433 CB LEU A 30 15.486 -2.908 6.662 1.00 2.54 C ATOM 434 CG LEU A 30 16.463 -1.970 7.373 1.00 51.54 C ATOM 435 CD1 LEU A 30 16.526 -0.627 6.662 1.00 55.51 C ATOM 436 CD2 LEU A 30 16.063 -1.786 8.829 1.00 35.02 C ATOM 0 H LEU A 30 13.436 -4.228 7.003 1.00 31.12 H new ATOM 0 HA LEU A 30 13.921 -1.479 7.025 1.00 4.02 H new ATOM 0 HB2 LEU A 30 15.371 -3.807 7.267 1.00 2.54 H new ATOM 0 HB3 LEU A 30 15.932 -3.215 5.716 1.00 2.54 H new ATOM 0 HG LEU A 30 17.455 -2.421 7.344 1.00 51.54 H new ATOM 0 HD11 LEU A 30 17.226 0.027 7.182 1.00 55.51 H new ATOM 0 HD12 LEU A 30 16.861 -0.774 5.635 1.00 55.51 H new ATOM 0 HD13 LEU A 30 15.536 -0.170 6.659 1.00 55.51 H new ATOM 0 HD21 LEU A 30 16.770 -1.116 9.319 1.00 35.02 H new ATOM 0 HD22 LEU A 30 15.062 -1.358 8.880 1.00 35.02 H new ATOM 0 HD23 LEU A 30 16.071 -2.752 9.333 1.00 35.02 H new ATOM 448 N LEU A 31 13.510 -2.746 4.060 1.00 51.03 N ATOM 449 CA LEU A 31 13.373 -2.425 2.643 1.00 2.33 C ATOM 450 C LEU A 31 11.993 -1.846 2.347 1.00 63.42 C ATOM 451 O LEU A 31 11.578 -1.770 1.191 1.00 50.31 O ATOM 452 CB LEU A 31 13.609 -3.673 1.792 1.00 61.51 C ATOM 453 CG LEU A 31 15.064 -3.976 1.434 1.00 64.54 C ATOM 454 CD1 LEU A 31 15.843 -4.396 2.671 1.00 35.11 C ATOM 455 CD2 LEU A 31 15.137 -5.057 0.364 1.00 14.32 C ATOM 0 H LEU A 31 13.192 -3.682 4.313 1.00 51.03 H new ATOM 0 HA LEU A 31 14.123 -1.675 2.391 1.00 2.33 H new ATOM 0 HB2 LEU A 31 13.200 -4.533 2.323 1.00 61.51 H new ATOM 0 HB3 LEU A 31 13.042 -3.570 0.867 1.00 61.51 H new ATOM 0 HG LEU A 31 15.516 -3.067 1.036 1.00 64.54 H new ATOM 0 HD11 LEU A 31 16.876 -4.607 2.396 1.00 35.11 H new ATOM 0 HD12 LEU A 31 15.821 -3.591 3.406 1.00 35.11 H new ATOM 0 HD13 LEU A 31 15.391 -5.291 3.099 1.00 35.11 H new ATOM 0 HD21 LEU A 31 16.180 -5.259 0.122 1.00 14.32 H new ATOM 0 HD22 LEU A 31 14.667 -5.968 0.735 1.00 14.32 H new ATOM 0 HD23 LEU A 31 14.616 -4.718 -0.531 1.00 14.32 H new ATOM 467 N GLN A 32 11.290 -1.439 3.398 1.00 35.32 N ATOM 468 CA GLN A 32 9.957 -0.866 3.249 1.00 30.35 C ATOM 469 C GLN A 32 9.958 0.615 3.612 1.00 12.01 C ATOM 470 O GLN A 32 8.948 1.154 4.067 1.00 64.40 O ATOM 471 CB GLN A 32 8.955 -1.618 4.127 1.00 12.13 C ATOM 472 CG GLN A 32 8.928 -3.116 3.873 1.00 35.44 C ATOM 473 CD GLN A 32 8.116 -3.486 2.647 1.00 0.04 C ATOM 474 OE1 GLN A 32 6.908 -3.707 2.732 1.00 15.30 O ATOM 475 NE2 GLN A 32 8.778 -3.555 1.498 1.00 35.41 N ATOM 0 H GLN A 32 11.620 -1.495 4.361 1.00 35.32 H new ATOM 0 HA GLN A 32 9.660 -0.965 2.205 1.00 30.35 H new ATOM 0 HB2 GLN A 32 9.197 -1.440 5.175 1.00 12.13 H new ATOM 0 HB3 GLN A 32 7.958 -1.211 3.957 1.00 12.13 H new ATOM 0 HG2 GLN A 32 9.949 -3.478 3.751 1.00 35.44 H new ATOM 0 HG3 GLN A 32 8.513 -3.621 4.745 1.00 35.44 H new ATOM 0 HE21 GLN A 32 9.780 -3.364 1.474 1.00 35.41 H new ATOM 0 HE22 GLN A 32 8.285 -3.799 0.639 1.00 35.41 H new ATOM 484 N TYR A 33 11.096 1.268 3.408 1.00 4.12 N ATOM 485 CA TYR A 33 11.229 2.687 3.716 1.00 24.04 C ATOM 486 C TYR A 33 10.175 3.506 2.978 1.00 31.02 C ATOM 487 O TYR A 33 9.799 4.594 3.416 1.00 63.33 O ATOM 488 CB TYR A 33 12.628 3.182 3.345 1.00 41.22 C ATOM 489 CG TYR A 33 12.833 3.357 1.857 1.00 62.41 C ATOM 490 CD1 TYR A 33 12.946 2.255 1.018 1.00 75.14 C ATOM 491 CD2 TYR A 33 12.916 4.623 1.291 1.00 73.54 C ATOM 492 CE1 TYR A 33 13.134 2.409 -0.342 1.00 53.23 C ATOM 493 CE2 TYR A 33 13.102 4.786 -0.068 1.00 42.33 C ATOM 494 CZ TYR A 33 13.211 3.677 -0.881 1.00 31.25 C ATOM 495 OH TYR A 33 13.398 3.836 -2.234 1.00 62.25 O ATOM 0 H TYR A 33 11.940 0.837 3.031 1.00 4.12 H new ATOM 0 HA TYR A 33 11.078 2.816 4.788 1.00 24.04 H new ATOM 0 HB2 TYR A 33 12.811 4.134 3.843 1.00 41.22 H new ATOM 0 HB3 TYR A 33 13.367 2.476 3.725 1.00 41.22 H new ATOM 0 HD1 TYR A 33 12.886 1.261 1.436 1.00 75.14 H new ATOM 0 HD2 TYR A 33 12.834 5.494 1.924 1.00 73.54 H new ATOM 0 HE1 TYR A 33 13.220 1.542 -0.980 1.00 53.23 H new ATOM 0 HE2 TYR A 33 13.162 5.777 -0.492 1.00 42.33 H new ATOM 0 HH TYR A 33 13.429 4.791 -2.450 1.00 62.25 H new ATOM 505 N ARG A 34 9.701 2.974 1.856 1.00 1.51 N ATOM 506 CA ARG A 34 8.690 3.655 1.056 1.00 43.13 C ATOM 507 C ARG A 34 7.309 3.510 1.687 1.00 53.01 C ATOM 508 O ARG A 34 6.447 4.374 1.524 1.00 71.03 O ATOM 509 CB ARG A 34 8.674 3.095 -0.368 1.00 31.33 C ATOM 510 CG ARG A 34 10.020 3.173 -1.069 1.00 23.14 C ATOM 511 CD ARG A 34 9.858 3.291 -2.576 1.00 33.21 C ATOM 512 NE ARG A 34 9.179 2.130 -3.146 1.00 24.23 N ATOM 513 CZ ARG A 34 9.001 1.949 -4.450 1.00 4.33 C ATOM 514 NH1 ARG A 34 9.450 2.849 -5.314 1.00 53.11 N ATOM 515 NH2 ARG A 34 8.374 0.867 -4.891 1.00 63.53 N ATOM 0 H ARG A 34 10.001 2.074 1.481 1.00 1.51 H new ATOM 0 HA ARG A 34 8.944 4.714 1.020 1.00 43.13 H new ATOM 0 HB2 ARG A 34 8.350 2.055 -0.336 1.00 31.33 H new ATOM 0 HB3 ARG A 34 7.936 3.641 -0.956 1.00 31.33 H new ATOM 0 HG2 ARG A 34 10.577 4.031 -0.694 1.00 23.14 H new ATOM 0 HG3 ARG A 34 10.606 2.285 -0.834 1.00 23.14 H new ATOM 0 HD2 ARG A 34 9.292 4.193 -2.810 1.00 33.21 H new ATOM 0 HD3 ARG A 34 10.839 3.401 -3.039 1.00 33.21 H new ATOM 0 HE ARG A 34 8.822 1.419 -2.508 1.00 24.23 H new ATOM 0 HH11 ARG A 34 9.933 3.682 -4.978 1.00 53.11 H new ATOM 0 HH12 ARG A 34 9.312 2.708 -6.315 1.00 53.11 H new ATOM 0 HH21 ARG A 34 8.028 0.173 -4.229 1.00 63.53 H new ATOM 0 HH22 ARG A 34 8.238 0.729 -5.892 1.00 63.53 H new ATOM 529 N ASP A 35 7.105 2.412 2.407 1.00 43.40 N ATOM 530 CA ASP A 35 5.829 2.154 3.063 1.00 11.12 C ATOM 531 C ASP A 35 5.868 2.598 4.522 1.00 1.40 C ATOM 532 O ASP A 35 5.365 1.906 5.406 1.00 73.22 O ATOM 533 CB ASP A 35 5.480 0.667 2.979 1.00 13.42 C ATOM 534 CG ASP A 35 5.941 0.037 1.680 1.00 72.11 C ATOM 535 OD1 ASP A 35 5.202 0.136 0.677 1.00 25.42 O ATOM 536 OD2 ASP A 35 7.040 -0.555 1.665 1.00 3.43 O ATOM 0 H ASP A 35 7.807 1.686 2.551 1.00 43.40 H new ATOM 0 HA ASP A 35 5.061 2.730 2.547 1.00 11.12 H new ATOM 0 HB2 ASP A 35 5.938 0.141 3.817 1.00 13.42 H new ATOM 0 HB3 ASP A 35 4.401 0.544 3.077 1.00 13.42 H new ATOM 541 N ALA A 36 6.471 3.758 4.766 1.00 35.42 N ATOM 542 CA ALA A 36 6.575 4.295 6.117 1.00 33.32 C ATOM 543 C ALA A 36 5.205 4.379 6.782 1.00 72.23 C ATOM 544 O ALA A 36 4.950 3.759 7.814 1.00 31.43 O ATOM 545 CB ALA A 36 7.236 5.665 6.091 1.00 73.10 C ATOM 0 H ALA A 36 6.894 4.343 4.046 1.00 35.42 H new ATOM 0 HA ALA A 36 7.194 3.616 6.704 1.00 33.32 H new ATOM 0 HB1 ALA A 36 7.307 6.054 7.107 1.00 73.10 H new ATOM 0 HB2 ALA A 36 8.235 5.579 5.665 1.00 73.10 H new ATOM 0 HB3 ALA A 36 6.640 6.345 5.483 1.00 73.10 H new ATOM 551 N PRO A 37 4.301 5.164 6.178 1.00 14.41 N ATOM 552 CA PRO A 37 2.941 5.348 6.695 1.00 41.24 C ATOM 553 C PRO A 37 2.091 4.091 6.549 1.00 73.10 C ATOM 554 O PRO A 37 1.238 3.805 7.389 1.00 33.34 O ATOM 555 CB PRO A 37 2.381 6.476 5.825 1.00 12.40 C ATOM 556 CG PRO A 37 3.160 6.400 4.557 1.00 13.34 C ATOM 557 CD PRO A 37 4.536 5.933 4.944 1.00 13.34 C ATOM 0 HA PRO A 37 2.937 5.572 7.762 1.00 41.24 H new ATOM 0 HB2 PRO A 37 1.315 6.343 5.643 1.00 12.40 H new ATOM 0 HB3 PRO A 37 2.504 7.446 6.307 1.00 12.40 H new ATOM 0 HG2 PRO A 37 2.696 5.707 3.855 1.00 13.34 H new ATOM 0 HG3 PRO A 37 3.202 7.372 4.066 1.00 13.34 H new ATOM 0 HD2 PRO A 37 4.985 5.316 4.165 1.00 13.34 H new ATOM 0 HD3 PRO A 37 5.211 6.771 5.115 1.00 13.34 H new ATOM 565 N LYS A 38 2.329 3.342 5.477 1.00 15.33 N ATOM 566 CA LYS A 38 1.586 2.114 5.221 1.00 21.25 C ATOM 567 C LYS A 38 1.840 1.086 6.320 1.00 54.12 C ATOM 568 O LYS A 38 0.903 0.583 6.942 1.00 45.54 O ATOM 569 CB LYS A 38 1.978 1.530 3.862 1.00 0.31 C ATOM 570 CG LYS A 38 1.044 1.934 2.735 1.00 51.34 C ATOM 571 CD LYS A 38 -0.172 1.025 2.665 1.00 44.13 C ATOM 572 CE LYS A 38 -1.265 1.622 1.791 1.00 24.13 C ATOM 573 NZ LYS A 38 -2.002 2.710 2.492 1.00 72.43 N ATOM 0 H LYS A 38 3.031 3.564 4.771 1.00 15.33 H new ATOM 0 HA LYS A 38 0.523 2.357 5.212 1.00 21.25 H new ATOM 0 HB2 LYS A 38 2.990 1.851 3.616 1.00 0.31 H new ATOM 0 HB3 LYS A 38 1.997 0.443 3.935 1.00 0.31 H new ATOM 0 HG2 LYS A 38 0.721 2.965 2.881 1.00 51.34 H new ATOM 0 HG3 LYS A 38 1.580 1.899 1.787 1.00 51.34 H new ATOM 0 HD2 LYS A 38 0.122 0.053 2.269 1.00 44.13 H new ATOM 0 HD3 LYS A 38 -0.560 0.856 3.670 1.00 44.13 H new ATOM 0 HE2 LYS A 38 -0.824 2.014 0.875 1.00 24.13 H new ATOM 0 HE3 LYS A 38 -1.965 0.839 1.499 1.00 24.13 H new ATOM 0 HZ1 LYS A 38 -2.802 3.022 1.905 1.00 72.43 H new ATOM 0 HZ2 LYS A 38 -2.358 2.357 3.403 1.00 72.43 H new ATOM 0 HZ3 LYS A 38 -1.361 3.512 2.658 1.00 72.43 H new ATOM 587 N VAL A 39 3.111 0.779 6.554 1.00 24.15 N ATOM 588 CA VAL A 39 3.488 -0.187 7.580 1.00 40.12 C ATOM 589 C VAL A 39 3.020 0.265 8.959 1.00 70.24 C ATOM 590 O VAL A 39 2.555 -0.542 9.763 1.00 73.44 O ATOM 591 CB VAL A 39 5.012 -0.405 7.613 1.00 44.50 C ATOM 592 CG1 VAL A 39 5.390 -1.371 8.726 1.00 51.44 C ATOM 593 CG2 VAL A 39 5.508 -0.910 6.266 1.00 15.22 C ATOM 0 H VAL A 39 3.898 1.185 6.047 1.00 24.15 H new ATOM 0 HA VAL A 39 3.000 -1.127 7.324 1.00 40.12 H new ATOM 0 HB VAL A 39 5.493 0.552 7.816 1.00 44.50 H new ATOM 0 HG11 VAL A 39 6.471 -1.513 8.734 1.00 51.44 H new ATOM 0 HG12 VAL A 39 5.071 -0.964 9.685 1.00 51.44 H new ATOM 0 HG13 VAL A 39 4.900 -2.330 8.558 1.00 51.44 H new ATOM 0 HG21 VAL A 39 6.587 -1.058 6.308 1.00 15.22 H new ATOM 0 HG22 VAL A 39 5.021 -1.856 6.030 1.00 15.22 H new ATOM 0 HG23 VAL A 39 5.272 -0.178 5.494 1.00 15.22 H new ATOM 603 N ALA A 40 3.146 1.561 9.225 1.00 22.31 N ATOM 604 CA ALA A 40 2.734 2.121 10.506 1.00 32.20 C ATOM 605 C ALA A 40 1.229 1.981 10.707 1.00 14.31 C ATOM 606 O ALA A 40 0.768 1.644 11.797 1.00 0.32 O ATOM 607 CB ALA A 40 3.148 3.582 10.601 1.00 73.11 C ATOM 0 H ALA A 40 3.530 2.243 8.570 1.00 22.31 H new ATOM 0 HA ALA A 40 3.233 1.562 11.297 1.00 32.20 H new ATOM 0 HB1 ALA A 40 2.834 3.987 11.563 1.00 73.11 H new ATOM 0 HB2 ALA A 40 4.231 3.660 10.511 1.00 73.11 H new ATOM 0 HB3 ALA A 40 2.676 4.147 9.797 1.00 73.11 H new ATOM 613 N GLU A 41 0.468 2.243 9.649 1.00 51.52 N ATOM 614 CA GLU A 41 -0.986 2.148 9.711 1.00 2.24 C ATOM 615 C GLU A 41 -1.427 0.707 9.951 1.00 63.04 C ATOM 616 O GLU A 41 -2.227 0.432 10.844 1.00 10.01 O ATOM 617 CB GLU A 41 -1.610 2.676 8.418 1.00 62.02 C ATOM 618 CG GLU A 41 -3.049 3.136 8.580 1.00 60.43 C ATOM 619 CD GLU A 41 -3.665 3.596 7.273 1.00 42.13 C ATOM 620 OE1 GLU A 41 -3.365 4.730 6.844 1.00 55.22 O ATOM 621 OE2 GLU A 41 -4.446 2.823 6.679 1.00 3.33 O ATOM 0 H GLU A 41 0.834 2.523 8.739 1.00 51.52 H new ATOM 0 HA GLU A 41 -1.329 2.759 10.546 1.00 2.24 H new ATOM 0 HB2 GLU A 41 -1.011 3.508 8.049 1.00 62.02 H new ATOM 0 HB3 GLU A 41 -1.571 1.894 7.660 1.00 62.02 H new ATOM 0 HG2 GLU A 41 -3.644 2.320 8.990 1.00 60.43 H new ATOM 0 HG3 GLU A 41 -3.087 3.952 9.302 1.00 60.43 H new ATOM 628 N MET A 42 -0.899 -0.209 9.145 1.00 43.41 N ATOM 629 CA MET A 42 -1.237 -1.622 9.269 1.00 11.30 C ATOM 630 C MET A 42 -0.767 -2.178 10.610 1.00 51.55 C ATOM 631 O MET A 42 -1.533 -2.819 11.329 1.00 70.14 O ATOM 632 CB MET A 42 -0.611 -2.421 8.125 1.00 43.45 C ATOM 633 CG MET A 42 -1.430 -3.632 7.709 1.00 51.40 C ATOM 634 SD MET A 42 -0.403 -5.027 7.210 1.00 71.01 S ATOM 635 CE MET A 42 -0.148 -5.840 8.785 1.00 5.14 C ATOM 0 H MET A 42 -0.236 0.002 8.399 1.00 43.41 H new ATOM 0 HA MET A 42 -2.322 -1.716 9.217 1.00 11.30 H new ATOM 0 HB2 MET A 42 -0.483 -1.766 7.263 1.00 43.45 H new ATOM 0 HB3 MET A 42 0.383 -2.751 8.425 1.00 43.45 H new ATOM 0 HG2 MET A 42 -2.070 -3.935 8.538 1.00 51.40 H new ATOM 0 HG3 MET A 42 -2.087 -3.356 6.884 1.00 51.40 H new ATOM 0 HE1 MET A 42 0.472 -6.725 8.641 1.00 5.14 H new ATOM 0 HE2 MET A 42 0.350 -5.155 9.471 1.00 5.14 H new ATOM 0 HE3 MET A 42 -1.111 -6.135 9.202 1.00 5.14 H new ATOM 645 N TRP A 43 0.495 -1.928 10.938 1.00 0.54 N ATOM 646 CA TRP A 43 1.066 -2.404 12.193 1.00 44.10 C ATOM 647 C TRP A 43 0.233 -1.939 13.382 1.00 1.30 C ATOM 648 O TRP A 43 -0.102 -2.728 14.265 1.00 34.40 O ATOM 649 CB TRP A 43 2.507 -1.912 12.340 1.00 1.24 C ATOM 650 CG TRP A 43 3.206 -2.471 13.543 1.00 71.24 C ATOM 651 CD1 TRP A 43 3.807 -3.693 13.646 1.00 3.03 C ATOM 652 CD2 TRP A 43 3.373 -1.830 14.812 1.00 64.32 C ATOM 653 NE1 TRP A 43 4.339 -3.850 14.904 1.00 74.23 N ATOM 654 CE2 TRP A 43 4.087 -2.721 15.637 1.00 33.35 C ATOM 655 CE3 TRP A 43 2.992 -0.590 15.331 1.00 63.04 C ATOM 656 CZ2 TRP A 43 4.424 -2.410 16.952 1.00 53.30 C ATOM 657 CZ3 TRP A 43 3.327 -0.282 16.635 1.00 22.45 C ATOM 658 CH2 TRP A 43 4.038 -1.189 17.434 1.00 53.50 C ATOM 0 H TRP A 43 1.142 -1.399 10.353 1.00 0.54 H new ATOM 0 HA TRP A 43 1.061 -3.494 12.175 1.00 44.10 H new ATOM 0 HB2 TRP A 43 3.068 -2.181 11.445 1.00 1.24 H new ATOM 0 HB3 TRP A 43 2.507 -0.824 12.402 1.00 1.24 H new ATOM 0 HD1 TRP A 43 3.857 -4.428 12.856 1.00 3.03 H new ATOM 0 HE1 TRP A 43 4.840 -4.674 15.237 1.00 74.23 H new ATOM 0 HE3 TRP A 43 2.445 0.115 14.723 1.00 63.04 H new ATOM 0 HZ2 TRP A 43 4.970 -3.108 17.569 1.00 53.30 H new ATOM 0 HZ3 TRP A 43 3.037 0.673 17.046 1.00 22.45 H new ATOM 0 HH2 TRP A 43 4.286 -0.918 18.450 1.00 53.50 H new ATOM 669 N LYS A 44 -0.099 -0.652 13.399 1.00 23.24 N ATOM 670 CA LYS A 44 -0.895 -0.081 14.479 1.00 24.34 C ATOM 671 C LYS A 44 -2.263 -0.751 14.560 1.00 25.31 C ATOM 672 O LYS A 44 -2.611 -1.349 15.577 1.00 32.24 O ATOM 673 CB LYS A 44 -1.064 1.426 14.274 1.00 73.40 C ATOM 674 CG LYS A 44 -2.073 2.058 15.217 1.00 4.44 C ATOM 675 CD LYS A 44 -2.213 3.550 14.964 1.00 35.02 C ATOM 676 CE LYS A 44 -3.610 4.044 15.308 1.00 12.33 C ATOM 677 NZ LYS A 44 -4.627 3.553 14.338 1.00 72.12 N ATOM 0 H LYS A 44 0.171 0.015 12.676 1.00 23.24 H new ATOM 0 HA LYS A 44 -0.368 -0.257 15.417 1.00 24.34 H new ATOM 0 HB2 LYS A 44 -0.098 1.913 14.409 1.00 73.40 H new ATOM 0 HB3 LYS A 44 -1.374 1.612 13.246 1.00 73.40 H new ATOM 0 HG2 LYS A 44 -3.042 1.574 15.092 1.00 4.44 H new ATOM 0 HG3 LYS A 44 -1.763 1.890 16.249 1.00 4.44 H new ATOM 0 HD2 LYS A 44 -1.477 4.092 15.559 1.00 35.02 H new ATOM 0 HD3 LYS A 44 -1.997 3.765 13.917 1.00 35.02 H new ATOM 0 HE2 LYS A 44 -3.876 3.712 16.312 1.00 12.33 H new ATOM 0 HE3 LYS A 44 -3.617 5.134 15.321 1.00 12.33 H new ATOM 0 HZ1 LYS A 44 -5.467 4.165 14.376 1.00 72.12 H new ATOM 0 HZ2 LYS A 44 -4.228 3.571 13.378 1.00 72.12 H new ATOM 0 HZ3 LYS A 44 -4.898 2.579 14.582 1.00 72.12 H new ATOM 691 N GLU A 45 -3.032 -0.648 13.481 1.00 43.03 N ATOM 692 CA GLU A 45 -4.361 -1.245 13.431 1.00 71.21 C ATOM 693 C GLU A 45 -4.301 -2.735 13.757 1.00 41.31 C ATOM 694 O GLU A 45 -5.269 -3.313 14.251 1.00 11.34 O ATOM 695 CB GLU A 45 -4.986 -1.039 12.049 1.00 24.13 C ATOM 696 CG GLU A 45 -5.859 0.201 11.955 1.00 31.40 C ATOM 697 CD GLU A 45 -7.181 0.039 12.679 1.00 34.14 C ATOM 698 OE1 GLU A 45 -7.167 -0.086 13.922 1.00 63.13 O ATOM 699 OE2 GLU A 45 -8.231 0.038 12.003 1.00 34.20 O ATOM 0 H GLU A 45 -2.758 -0.157 12.630 1.00 43.03 H new ATOM 0 HA GLU A 45 -4.981 -0.751 14.179 1.00 71.21 H new ATOM 0 HB2 GLU A 45 -4.191 -0.971 11.306 1.00 24.13 H new ATOM 0 HB3 GLU A 45 -5.584 -1.914 11.796 1.00 24.13 H new ATOM 0 HG2 GLU A 45 -5.322 1.052 12.374 1.00 31.40 H new ATOM 0 HG3 GLU A 45 -6.049 0.429 10.906 1.00 31.40 H new ATOM 706 N TYR A 46 -3.158 -3.350 13.476 1.00 43.12 N ATOM 707 CA TYR A 46 -2.971 -4.772 13.736 1.00 72.42 C ATOM 708 C TYR A 46 -2.675 -5.022 15.211 1.00 33.44 C ATOM 709 O TYR A 46 -3.127 -6.012 15.787 1.00 4.24 O ATOM 710 CB TYR A 46 -1.834 -5.325 12.875 1.00 4.33 C ATOM 711 CG TYR A 46 -1.362 -6.696 13.303 1.00 72.45 C ATOM 712 CD1 TYR A 46 -1.944 -7.846 12.782 1.00 52.33 C ATOM 713 CD2 TYR A 46 -0.336 -6.843 14.227 1.00 21.33 C ATOM 714 CE1 TYR A 46 -1.517 -9.101 13.170 1.00 75.15 C ATOM 715 CE2 TYR A 46 0.098 -8.095 14.620 1.00 43.43 C ATOM 716 CZ TYR A 46 -0.496 -9.220 14.088 1.00 23.43 C ATOM 717 OH TYR A 46 -0.067 -10.469 14.478 1.00 40.43 O ATOM 0 H TYR A 46 -2.347 -2.886 13.068 1.00 43.12 H new ATOM 0 HA TYR A 46 -3.896 -5.287 13.478 1.00 72.42 H new ATOM 0 HB2 TYR A 46 -2.165 -5.371 11.837 1.00 4.33 H new ATOM 0 HB3 TYR A 46 -0.993 -4.633 12.911 1.00 4.33 H new ATOM 0 HD1 TYR A 46 -2.744 -7.757 12.062 1.00 52.33 H new ATOM 0 HD2 TYR A 46 0.131 -5.964 14.646 1.00 21.33 H new ATOM 0 HE1 TYR A 46 -1.981 -9.984 12.756 1.00 75.15 H new ATOM 0 HE2 TYR A 46 0.898 -8.192 15.339 1.00 43.43 H new ATOM 0 HH TYR A 46 -0.631 -11.154 14.061 1.00 40.43 H new ATOM 727 N MET A 47 -1.914 -4.117 15.817 1.00 10.10 N ATOM 728 CA MET A 47 -1.559 -4.237 17.226 1.00 24.23 C ATOM 729 C MET A 47 -2.741 -3.872 18.118 1.00 30.22 C ATOM 730 O MET A 47 -2.815 -4.296 19.272 1.00 31.14 O ATOM 731 CB MET A 47 -0.363 -3.339 17.551 1.00 34.23 C ATOM 732 CG MET A 47 0.924 -3.770 16.868 1.00 61.22 C ATOM 733 SD MET A 47 1.805 -5.047 17.787 1.00 75.41 S ATOM 734 CE MET A 47 2.641 -4.058 19.024 1.00 65.53 C ATOM 0 H MET A 47 -1.531 -3.292 15.354 1.00 10.10 H new ATOM 0 HA MET A 47 -1.288 -5.275 17.419 1.00 24.23 H new ATOM 0 HB2 MET A 47 -0.596 -2.316 17.256 1.00 34.23 H new ATOM 0 HB3 MET A 47 -0.207 -3.332 18.630 1.00 34.23 H new ATOM 0 HG2 MET A 47 0.694 -4.140 15.869 1.00 61.22 H new ATOM 0 HG3 MET A 47 1.573 -2.903 16.745 1.00 61.22 H new ATOM 0 HE1 MET A 47 3.712 -4.259 18.988 1.00 65.53 H new ATOM 0 HE2 MET A 47 2.464 -3.001 18.825 1.00 65.53 H new ATOM 0 HE3 MET A 47 2.257 -4.311 20.012 1.00 65.53 H new ATOM 744 N LEU A 48 -3.663 -3.084 17.577 1.00 33.10 N ATOM 745 CA LEU A 48 -4.843 -2.662 18.324 1.00 1.23 C ATOM 746 C LEU A 48 -6.039 -3.552 18.003 1.00 61.14 C ATOM 747 O LEU A 48 -7.185 -3.104 18.033 1.00 11.32 O ATOM 748 CB LEU A 48 -5.178 -1.204 18.006 1.00 43.43 C ATOM 749 CG LEU A 48 -4.051 -0.193 18.223 1.00 62.20 C ATOM 750 CD1 LEU A 48 -4.495 1.200 17.804 1.00 24.31 C ATOM 751 CD2 LEU A 48 -3.604 -0.198 19.678 1.00 44.35 C ATOM 0 H LEU A 48 -3.617 -2.724 16.624 1.00 33.10 H new ATOM 0 HA LEU A 48 -4.621 -2.754 19.387 1.00 1.23 H new ATOM 0 HB2 LEU A 48 -5.497 -1.144 16.966 1.00 43.43 H new ATOM 0 HB3 LEU A 48 -6.029 -0.906 18.618 1.00 43.43 H new ATOM 0 HG LEU A 48 -3.203 -0.483 17.602 1.00 62.20 H new ATOM 0 HD11 LEU A 48 -3.680 1.906 17.966 1.00 24.31 H new ATOM 0 HD12 LEU A 48 -4.765 1.193 16.748 1.00 24.31 H new ATOM 0 HD13 LEU A 48 -5.358 1.501 18.398 1.00 24.31 H new ATOM 0 HD21 LEU A 48 -2.802 0.527 19.815 1.00 44.35 H new ATOM 0 HD22 LEU A 48 -4.446 0.067 20.318 1.00 44.35 H new ATOM 0 HD23 LEU A 48 -3.244 -1.192 19.945 1.00 44.35 H new ATOM 763 N ARG A 49 -5.764 -4.816 17.696 1.00 0.25 N ATOM 764 CA ARG A 49 -6.817 -5.769 17.370 1.00 34.53 C ATOM 765 C ARG A 49 -6.954 -6.824 18.464 1.00 23.25 C ATOM 766 O ARG A 49 -6.011 -7.116 19.201 1.00 51.41 O ATOM 767 CB ARG A 49 -6.526 -6.445 16.029 1.00 24.22 C ATOM 768 CG ARG A 49 -7.146 -5.731 14.840 1.00 74.23 C ATOM 769 CD ARG A 49 -6.503 -6.165 13.532 1.00 40.22 C ATOM 770 NE ARG A 49 -7.267 -7.218 12.869 1.00 70.13 N ATOM 771 CZ ARG A 49 -8.432 -7.012 12.264 1.00 3.41 C ATOM 772 NH1 ARG A 49 -8.963 -5.797 12.239 1.00 71.22 N ATOM 773 NH2 ARG A 49 -9.067 -8.021 11.683 1.00 61.13 N ATOM 0 H ARG A 49 -4.821 -5.203 17.666 1.00 0.25 H new ATOM 0 HA ARG A 49 -7.757 -5.222 17.297 1.00 34.53 H new ATOM 0 HB2 ARG A 49 -5.447 -6.500 15.886 1.00 24.22 H new ATOM 0 HB3 ARG A 49 -6.896 -7.470 16.060 1.00 24.22 H new ATOM 0 HG2 ARG A 49 -8.216 -5.938 14.807 1.00 74.23 H new ATOM 0 HG3 ARG A 49 -7.034 -4.654 14.962 1.00 74.23 H new ATOM 0 HD2 ARG A 49 -6.418 -5.305 12.867 1.00 40.22 H new ATOM 0 HD3 ARG A 49 -5.491 -6.519 13.726 1.00 40.22 H new ATOM 0 HE ARG A 49 -6.885 -8.164 12.870 1.00 70.13 H new ATOM 0 HH11 ARG A 49 -8.477 -5.019 12.685 1.00 71.22 H new ATOM 0 HH12 ARG A 49 -9.857 -5.641 11.774 1.00 71.22 H new ATOM 0 HH21 ARG A 49 -8.661 -8.957 11.700 1.00 61.13 H new ATOM 0 HH22 ARG A 49 -9.961 -7.861 11.219 1.00 61.13 H new ATOM 787 N PRO A 50 -8.155 -7.411 18.575 1.00 0.42 N ATOM 788 CA PRO A 50 -8.443 -8.442 19.576 1.00 13.24 C ATOM 789 C PRO A 50 -7.722 -9.753 19.283 1.00 44.41 C ATOM 790 O PRO A 50 -7.167 -10.382 20.184 1.00 43.23 O ATOM 791 CB PRO A 50 -9.958 -8.629 19.466 1.00 35.32 C ATOM 792 CG PRO A 50 -10.292 -8.210 18.076 1.00 20.31 C ATOM 793 CD PRO A 50 -9.324 -7.112 17.731 1.00 32.40 C ATOM 0 HA PRO A 50 -8.106 -8.149 20.571 1.00 13.24 H new ATOM 0 HB2 PRO A 50 -10.243 -9.666 19.646 1.00 35.32 H new ATOM 0 HB3 PRO A 50 -10.486 -8.021 20.200 1.00 35.32 H new ATOM 0 HG2 PRO A 50 -10.197 -9.046 17.383 1.00 20.31 H new ATOM 0 HG3 PRO A 50 -11.321 -7.857 18.011 1.00 20.31 H new ATOM 0 HD2 PRO A 50 -9.068 -7.120 16.672 1.00 32.40 H new ATOM 0 HD3 PRO A 50 -9.737 -6.128 17.951 1.00 32.40 H new ATOM 801 N SER A 51 -7.733 -10.158 18.017 1.00 24.42 N ATOM 802 CA SER A 51 -7.082 -11.397 17.606 1.00 44.42 C ATOM 803 C SER A 51 -5.648 -11.455 18.125 1.00 32.32 C ATOM 804 O SER A 51 -5.214 -12.470 18.671 1.00 15.12 O ATOM 805 CB SER A 51 -7.089 -11.519 16.081 1.00 61.21 C ATOM 806 OG SER A 51 -6.142 -10.643 15.494 1.00 14.23 O ATOM 0 H SER A 51 -8.185 -9.647 17.259 1.00 24.42 H new ATOM 0 HA SER A 51 -7.639 -12.231 18.033 1.00 44.42 H new ATOM 0 HB2 SER A 51 -6.865 -12.546 15.794 1.00 61.21 H new ATOM 0 HB3 SER A 51 -8.084 -11.292 15.700 1.00 61.21 H new ATOM 0 HG SER A 51 -6.165 -10.742 14.519 1.00 14.23 H new ATOM 812 N VAL A 52 -4.917 -10.359 17.951 1.00 61.11 N ATOM 813 CA VAL A 52 -3.533 -10.284 18.402 1.00 4.32 C ATOM 814 C VAL A 52 -3.442 -10.400 19.920 1.00 72.04 C ATOM 815 O VAL A 52 -4.078 -9.641 20.649 1.00 10.33 O ATOM 816 CB VAL A 52 -2.869 -8.967 17.959 1.00 44.42 C ATOM 817 CG1 VAL A 52 -1.422 -8.914 18.425 1.00 23.52 C ATOM 818 CG2 VAL A 52 -2.957 -8.808 16.448 1.00 25.25 C ATOM 0 H VAL A 52 -5.260 -9.511 17.501 1.00 61.11 H new ATOM 0 HA VAL A 52 -3.006 -11.121 17.944 1.00 4.32 H new ATOM 0 HB VAL A 52 -3.405 -8.138 18.421 1.00 44.42 H new ATOM 0 HG11 VAL A 52 -0.970 -7.976 18.102 1.00 23.52 H new ATOM 0 HG12 VAL A 52 -1.387 -8.978 19.513 1.00 23.52 H new ATOM 0 HG13 VAL A 52 -0.870 -9.750 17.994 1.00 23.52 H new ATOM 0 HG21 VAL A 52 -2.483 -7.872 16.152 1.00 25.25 H new ATOM 0 HG22 VAL A 52 -2.448 -9.641 15.964 1.00 25.25 H new ATOM 0 HG23 VAL A 52 -4.004 -8.796 16.144 1.00 25.25 H new ATOM 828 N ASN A 53 -2.647 -11.356 20.388 1.00 61.40 N ATOM 829 CA ASN A 53 -2.473 -11.573 21.820 1.00 42.43 C ATOM 830 C ASN A 53 -1.294 -10.763 22.353 1.00 73.52 C ATOM 831 O ASN A 53 -0.677 -9.988 21.622 1.00 55.41 O ATOM 832 CB ASN A 53 -2.258 -13.059 22.110 1.00 63.54 C ATOM 833 CG ASN A 53 -3.533 -13.867 21.965 1.00 71.14 C ATOM 834 OD1 ASN A 53 -4.632 -13.358 22.186 1.00 21.22 O ATOM 835 ND2 ASN A 53 -3.392 -15.134 21.591 1.00 42.41 N ATOM 0 H ASN A 53 -2.113 -11.993 19.797 1.00 61.40 H new ATOM 0 HA ASN A 53 -3.379 -11.239 22.326 1.00 42.43 H new ATOM 0 HB2 ASN A 53 -1.502 -13.453 21.431 1.00 63.54 H new ATOM 0 HB3 ASN A 53 -1.870 -13.176 23.122 1.00 63.54 H new ATOM 0 HD21 ASN A 53 -4.214 -15.726 21.476 1.00 42.41 H new ATOM 0 HD22 ASN A 53 -2.461 -15.514 21.418 1.00 42.41 H new ATOM 842 N THR A 54 -0.986 -10.950 23.632 1.00 23.14 N ATOM 843 CA THR A 54 0.118 -10.238 24.264 1.00 32.13 C ATOM 844 C THR A 54 1.451 -10.613 23.627 1.00 52.13 C ATOM 845 O THR A 54 2.245 -9.743 23.268 1.00 15.22 O ATOM 846 CB THR A 54 0.184 -10.531 25.775 1.00 31.20 C ATOM 847 OG1 THR A 54 -0.340 -11.836 26.044 1.00 34.23 O ATOM 848 CG2 THR A 54 -0.600 -9.492 26.563 1.00 45.04 C ATOM 0 H THR A 54 -1.485 -11.589 24.251 1.00 23.14 H new ATOM 0 HA THR A 54 -0.066 -9.174 24.115 1.00 32.13 H new ATOM 0 HB THR A 54 1.228 -10.488 26.086 1.00 31.20 H new ATOM 0 HG1 THR A 54 -0.293 -12.015 27.006 1.00 34.23 H new ATOM 0 HG21 THR A 54 -0.539 -9.720 27.627 1.00 45.04 H new ATOM 0 HG22 THR A 54 -0.180 -8.503 26.379 1.00 45.04 H new ATOM 0 HG23 THR A 54 -1.643 -9.508 26.248 1.00 45.04 H new ATOM 856 N ARG A 55 1.690 -11.913 23.488 1.00 42.34 N ATOM 857 CA ARG A 55 2.928 -12.402 22.893 1.00 22.22 C ATOM 858 C ARG A 55 3.181 -11.741 21.541 1.00 32.14 C ATOM 859 O ARG A 55 4.246 -11.169 21.309 1.00 55.54 O ATOM 860 CB ARG A 55 2.873 -13.922 22.727 1.00 2.03 C ATOM 861 CG ARG A 55 4.242 -14.583 22.711 1.00 51.33 C ATOM 862 CD ARG A 55 4.130 -16.098 22.763 1.00 75.42 C ATOM 863 NE ARG A 55 5.439 -16.745 22.745 1.00 33.31 N ATOM 864 CZ ARG A 55 5.620 -18.044 22.959 1.00 52.22 C ATOM 865 NH1 ARG A 55 4.581 -18.830 23.205 1.00 53.24 N ATOM 866 NH2 ARG A 55 6.842 -18.559 22.926 1.00 3.43 N ATOM 0 H ARG A 55 1.043 -12.646 23.779 1.00 42.34 H new ATOM 0 HA ARG A 55 3.749 -12.145 23.562 1.00 22.22 H new ATOM 0 HB2 ARG A 55 2.283 -14.347 23.539 1.00 2.03 H new ATOM 0 HB3 ARG A 55 2.354 -14.159 21.799 1.00 2.03 H new ATOM 0 HG2 ARG A 55 4.779 -14.288 21.810 1.00 51.33 H new ATOM 0 HG3 ARG A 55 4.827 -14.231 23.561 1.00 51.33 H new ATOM 0 HD2 ARG A 55 3.593 -16.391 23.665 1.00 75.42 H new ATOM 0 HD3 ARG A 55 3.541 -16.447 21.915 1.00 75.42 H new ATOM 0 HE ARG A 55 6.259 -16.168 22.558 1.00 33.31 H new ATOM 0 HH11 ARG A 55 3.640 -18.438 23.230 1.00 53.24 H new ATOM 0 HH12 ARG A 55 4.723 -19.827 23.369 1.00 53.24 H new ATOM 0 HH21 ARG A 55 7.644 -17.958 22.736 1.00 3.43 H new ATOM 0 HH22 ARG A 55 6.980 -19.556 23.090 1.00 3.43 H new ATOM 880 N ARG A 56 2.195 -11.825 20.654 1.00 10.00 N ATOM 881 CA ARG A 56 2.311 -11.237 19.325 1.00 1.41 C ATOM 882 C ARG A 56 2.689 -9.761 19.415 1.00 64.10 C ATOM 883 O ARG A 56 3.525 -9.275 18.652 1.00 21.53 O ATOM 884 CB ARG A 56 0.996 -11.391 18.559 1.00 30.20 C ATOM 885 CG ARG A 56 0.588 -12.838 18.336 1.00 74.21 C ATOM 886 CD ARG A 56 1.211 -13.404 17.069 1.00 14.22 C ATOM 887 NE ARG A 56 0.448 -14.531 16.541 1.00 72.45 N ATOM 888 CZ ARG A 56 0.497 -15.756 17.052 1.00 32.32 C ATOM 889 NH1 ARG A 56 1.268 -16.010 18.100 1.00 31.15 N ATOM 890 NH2 ARG A 56 -0.227 -16.730 16.515 1.00 21.33 N ATOM 0 H ARG A 56 1.307 -12.294 20.832 1.00 10.00 H new ATOM 0 HA ARG A 56 3.100 -11.765 18.789 1.00 1.41 H new ATOM 0 HB2 ARG A 56 0.204 -10.879 19.106 1.00 30.20 H new ATOM 0 HB3 ARG A 56 1.088 -10.895 17.593 1.00 30.20 H new ATOM 0 HG2 ARG A 56 0.893 -13.439 19.193 1.00 74.21 H new ATOM 0 HG3 ARG A 56 -0.498 -12.905 18.270 1.00 74.21 H new ATOM 0 HD2 ARG A 56 1.271 -12.621 16.313 1.00 14.22 H new ATOM 0 HD3 ARG A 56 2.232 -13.724 17.278 1.00 14.22 H new ATOM 0 HE ARG A 56 -0.156 -14.369 15.735 1.00 72.45 H new ATOM 0 HH11 ARG A 56 1.825 -15.264 18.516 1.00 31.15 H new ATOM 0 HH12 ARG A 56 1.304 -16.952 18.491 1.00 31.15 H new ATOM 0 HH21 ARG A 56 -0.822 -16.538 15.709 1.00 21.33 H new ATOM 0 HH22 ARG A 56 -0.189 -17.670 16.908 1.00 21.33 H new ATOM 904 N LYS A 57 2.068 -9.052 20.352 1.00 62.43 N ATOM 905 CA LYS A 57 2.339 -7.633 20.543 1.00 0.40 C ATOM 906 C LYS A 57 3.771 -7.411 21.020 1.00 32.22 C ATOM 907 O LYS A 57 4.510 -6.610 20.447 1.00 0.44 O ATOM 908 CB LYS A 57 1.356 -7.036 21.553 1.00 73.32 C ATOM 909 CG LYS A 57 0.001 -6.698 20.955 1.00 11.33 C ATOM 910 CD LYS A 57 -1.086 -6.671 22.017 1.00 2.10 C ATOM 911 CE LYS A 57 -2.469 -6.829 21.403 1.00 5.24 C ATOM 912 NZ LYS A 57 -3.497 -7.153 22.430 1.00 32.11 N ATOM 0 H LYS A 57 1.373 -9.438 20.991 1.00 62.43 H new ATOM 0 HA LYS A 57 2.213 -7.133 19.583 1.00 0.40 H new ATOM 0 HB2 LYS A 57 1.217 -7.741 22.372 1.00 73.32 H new ATOM 0 HB3 LYS A 57 1.791 -6.133 21.980 1.00 73.32 H new ATOM 0 HG2 LYS A 57 0.052 -5.728 20.461 1.00 11.33 H new ATOM 0 HG3 LYS A 57 -0.254 -7.432 20.191 1.00 11.33 H new ATOM 0 HD2 LYS A 57 -0.913 -7.471 22.737 1.00 2.10 H new ATOM 0 HD3 LYS A 57 -1.036 -5.731 22.567 1.00 2.10 H new ATOM 0 HE2 LYS A 57 -2.746 -5.908 20.890 1.00 5.24 H new ATOM 0 HE3 LYS A 57 -2.445 -7.618 20.651 1.00 5.24 H new ATOM 0 HZ1 LYS A 57 -3.982 -8.035 22.169 1.00 32.11 H new ATOM 0 HZ2 LYS A 57 -3.038 -7.271 23.356 1.00 32.11 H new ATOM 0 HZ3 LYS A 57 -4.190 -6.379 22.483 1.00 32.11 H new ATOM 926 N LEU A 58 4.157 -8.127 22.071 1.00 74.03 N ATOM 927 CA LEU A 58 5.501 -8.010 22.624 1.00 3.01 C ATOM 928 C LEU A 58 6.555 -8.164 21.532 1.00 51.21 C ATOM 929 O LEU A 58 7.522 -7.403 21.475 1.00 12.44 O ATOM 930 CB LEU A 58 5.720 -9.063 23.712 1.00 61.35 C ATOM 931 CG LEU A 58 7.061 -9.003 24.445 1.00 55.33 C ATOM 932 CD1 LEU A 58 8.146 -9.689 23.630 1.00 30.02 C ATOM 933 CD2 LEU A 58 7.443 -7.559 24.738 1.00 63.41 C ATOM 0 H LEU A 58 3.558 -8.794 22.557 1.00 74.03 H new ATOM 0 HA LEU A 58 5.601 -7.017 23.062 1.00 3.01 H new ATOM 0 HB2 LEU A 58 4.922 -8.967 24.448 1.00 61.35 H new ATOM 0 HB3 LEU A 58 5.620 -10.050 23.260 1.00 61.35 H new ATOM 0 HG LEU A 58 6.960 -9.531 25.393 1.00 55.33 H new ATOM 0 HD11 LEU A 58 9.093 -9.636 24.167 1.00 30.02 H new ATOM 0 HD12 LEU A 58 7.876 -10.733 23.471 1.00 30.02 H new ATOM 0 HD13 LEU A 58 8.248 -9.190 22.666 1.00 30.02 H new ATOM 0 HD21 LEU A 58 8.400 -7.534 25.260 1.00 63.41 H new ATOM 0 HD22 LEU A 58 7.526 -7.007 23.802 1.00 63.41 H new ATOM 0 HD23 LEU A 58 6.677 -7.100 25.363 1.00 63.41 H new ATOM 945 N LEU A 59 6.361 -9.151 20.665 1.00 72.32 N ATOM 946 CA LEU A 59 7.293 -9.404 19.572 1.00 42.13 C ATOM 947 C LEU A 59 7.254 -8.272 18.550 1.00 3.11 C ATOM 948 O LEU A 59 8.294 -7.784 18.109 1.00 71.43 O ATOM 949 CB LEU A 59 6.963 -10.733 18.890 1.00 14.11 C ATOM 950 CG LEU A 59 7.050 -11.979 19.772 1.00 72.34 C ATOM 951 CD1 LEU A 59 6.788 -13.233 18.951 1.00 12.32 C ATOM 952 CD2 LEU A 59 8.409 -12.058 20.450 1.00 25.44 C ATOM 0 H LEU A 59 5.566 -9.790 20.698 1.00 72.32 H new ATOM 0 HA LEU A 59 8.298 -9.457 19.990 1.00 42.13 H new ATOM 0 HB2 LEU A 59 5.953 -10.669 18.484 1.00 14.11 H new ATOM 0 HB3 LEU A 59 7.639 -10.863 18.045 1.00 14.11 H new ATOM 0 HG LEU A 59 6.284 -11.908 20.545 1.00 72.34 H new ATOM 0 HD11 LEU A 59 6.854 -14.110 19.595 1.00 12.32 H new ATOM 0 HD12 LEU A 59 5.792 -13.179 18.512 1.00 12.32 H new ATOM 0 HD13 LEU A 59 7.530 -13.310 18.157 1.00 12.32 H new ATOM 0 HD21 LEU A 59 8.453 -12.951 21.074 1.00 25.44 H new ATOM 0 HD22 LEU A 59 9.191 -12.105 19.692 1.00 25.44 H new ATOM 0 HD23 LEU A 59 8.558 -11.174 21.070 1.00 25.44 H new ATOM 964 N GLY A 60 6.046 -7.857 18.180 1.00 45.31 N ATOM 965 CA GLY A 60 5.894 -6.784 17.215 1.00 45.31 C ATOM 966 C GLY A 60 6.659 -5.536 17.610 1.00 1.10 C ATOM 967 O GLY A 60 7.292 -4.894 16.770 1.00 34.12 O ATOM 0 H GLY A 60 5.170 -8.245 18.531 1.00 45.31 H new ATOM 0 HA2 GLY A 60 6.240 -7.125 16.239 1.00 45.31 H new ATOM 0 HA3 GLY A 60 4.837 -6.540 17.111 1.00 45.31 H new ATOM 971 N LEU A 61 6.601 -5.189 18.891 1.00 33.21 N ATOM 972 CA LEU A 61 7.292 -4.008 19.396 1.00 21.13 C ATOM 973 C LEU A 61 8.795 -4.114 19.159 1.00 22.14 C ATOM 974 O LEU A 61 9.437 -3.152 18.737 1.00 53.21 O ATOM 975 CB LEU A 61 7.011 -3.828 20.889 1.00 30.01 C ATOM 976 CG LEU A 61 6.813 -2.389 21.366 1.00 5.30 C ATOM 977 CD1 LEU A 61 6.690 -2.341 22.881 1.00 54.40 C ATOM 978 CD2 LEU A 61 7.962 -1.508 20.895 1.00 73.43 C ATOM 0 H LEU A 61 6.082 -5.709 19.599 1.00 33.21 H new ATOM 0 HA LEU A 61 6.918 -3.139 18.855 1.00 21.13 H new ATOM 0 HB2 LEU A 61 6.118 -4.399 21.142 1.00 30.01 H new ATOM 0 HB3 LEU A 61 7.838 -4.265 21.449 1.00 30.01 H new ATOM 0 HG LEU A 61 5.888 -2.008 20.934 1.00 5.30 H new ATOM 0 HD11 LEU A 61 6.550 -1.309 23.202 1.00 54.40 H new ATOM 0 HD12 LEU A 61 5.834 -2.938 23.196 1.00 54.40 H new ATOM 0 HD13 LEU A 61 7.598 -2.741 23.333 1.00 54.40 H new ATOM 0 HD21 LEU A 61 7.804 -0.487 21.244 1.00 73.43 H new ATOM 0 HD22 LEU A 61 8.901 -1.888 21.298 1.00 73.43 H new ATOM 0 HD23 LEU A 61 8.005 -1.517 19.806 1.00 73.43 H new ATOM 990 N TYR A 62 9.350 -5.290 19.432 1.00 3.43 N ATOM 991 CA TYR A 62 10.778 -5.521 19.249 1.00 21.52 C ATOM 992 C TYR A 62 11.154 -5.463 17.772 1.00 45.21 C ATOM 993 O TYR A 62 12.238 -4.999 17.413 1.00 73.23 O ATOM 994 CB TYR A 62 11.175 -6.878 19.835 1.00 40.25 C ATOM 995 CG TYR A 62 11.573 -6.815 21.292 1.00 73.30 C ATOM 996 CD1 TYR A 62 12.780 -6.248 21.679 1.00 25.44 C ATOM 997 CD2 TYR A 62 10.740 -7.323 22.282 1.00 53.52 C ATOM 998 CE1 TYR A 62 13.148 -6.190 23.010 1.00 70.03 C ATOM 999 CE2 TYR A 62 11.098 -7.267 23.615 1.00 64.12 C ATOM 1000 CZ TYR A 62 12.304 -6.700 23.974 1.00 74.44 C ATOM 1001 OH TYR A 62 12.665 -6.643 25.300 1.00 4.20 O ATOM 0 H TYR A 62 8.833 -6.097 19.780 1.00 3.43 H new ATOM 0 HA TYR A 62 11.318 -4.733 19.774 1.00 21.52 H new ATOM 0 HB2 TYR A 62 10.340 -7.570 19.725 1.00 40.25 H new ATOM 0 HB3 TYR A 62 12.005 -7.285 19.258 1.00 40.25 H new ATOM 0 HD1 TYR A 62 13.443 -5.845 20.927 1.00 25.44 H new ATOM 0 HD2 TYR A 62 9.797 -7.769 22.004 1.00 53.52 H new ATOM 0 HE1 TYR A 62 14.092 -5.748 23.294 1.00 70.03 H new ATOM 0 HE2 TYR A 62 10.438 -7.665 24.372 1.00 64.12 H new ATOM 0 HH TYR A 62 11.959 -7.044 25.849 1.00 4.20 H new ATOM 1011 N LEU A 63 10.252 -5.935 16.919 1.00 21.42 N ATOM 1012 CA LEU A 63 10.487 -5.937 15.479 1.00 1.04 C ATOM 1013 C LEU A 63 10.530 -4.513 14.933 1.00 34.51 C ATOM 1014 O LEU A 63 11.508 -4.107 14.308 1.00 64.45 O ATOM 1015 CB LEU A 63 9.396 -6.737 14.766 1.00 61.04 C ATOM 1016 CG LEU A 63 9.474 -6.764 13.239 1.00 60.42 C ATOM 1017 CD1 LEU A 63 10.604 -7.672 12.778 1.00 33.51 C ATOM 1018 CD2 LEU A 63 8.148 -7.217 12.645 1.00 11.40 C ATOM 0 H LEU A 63 9.351 -6.321 17.199 1.00 21.42 H new ATOM 0 HA LEU A 63 11.453 -6.407 15.293 1.00 1.04 H new ATOM 0 HB2 LEU A 63 9.430 -7.764 15.130 1.00 61.04 H new ATOM 0 HB3 LEU A 63 8.427 -6.329 15.053 1.00 61.04 H new ATOM 0 HG LEU A 63 9.681 -5.753 12.887 1.00 60.42 H new ATOM 0 HD11 LEU A 63 10.644 -7.679 11.689 1.00 33.51 H new ATOM 0 HD12 LEU A 63 11.551 -7.304 13.174 1.00 33.51 H new ATOM 0 HD13 LEU A 63 10.428 -8.685 13.141 1.00 33.51 H new ATOM 0 HD21 LEU A 63 8.222 -7.230 11.558 1.00 11.40 H new ATOM 0 HD22 LEU A 63 7.911 -8.218 13.005 1.00 11.40 H new ATOM 0 HD23 LEU A 63 7.360 -6.527 12.947 1.00 11.40 H new ATOM 1030 N MET A 64 9.462 -3.760 15.176 1.00 41.11 N ATOM 1031 CA MET A 64 9.379 -2.380 14.711 1.00 65.10 C ATOM 1032 C MET A 64 10.471 -1.526 15.347 1.00 4.21 C ATOM 1033 O MET A 64 10.947 -0.563 14.747 1.00 65.20 O ATOM 1034 CB MET A 64 8.004 -1.793 15.032 1.00 11.34 C ATOM 1035 CG MET A 64 7.856 -1.347 16.478 1.00 30.53 C ATOM 1036 SD MET A 64 8.212 0.406 16.705 1.00 31.51 S ATOM 1037 CE MET A 64 7.445 0.704 18.296 1.00 20.41 C ATOM 0 H MET A 64 8.643 -4.082 15.692 1.00 41.11 H new ATOM 0 HA MET A 64 9.523 -2.377 13.631 1.00 65.10 H new ATOM 0 HB2 MET A 64 7.820 -0.941 14.377 1.00 11.34 H new ATOM 0 HB3 MET A 64 7.239 -2.537 14.810 1.00 11.34 H new ATOM 0 HG2 MET A 64 6.841 -1.554 16.816 1.00 30.53 H new ATOM 0 HG3 MET A 64 8.527 -1.934 17.106 1.00 30.53 H new ATOM 0 HE1 MET A 64 6.946 1.673 18.283 1.00 20.41 H new ATOM 0 HE2 MET A 64 6.714 -0.078 18.500 1.00 20.41 H new ATOM 0 HE3 MET A 64 8.208 0.699 19.074 1.00 20.41 H new ATOM 1047 N ASN A 65 10.863 -1.885 16.565 1.00 1.34 N ATOM 1048 CA ASN A 65 11.899 -1.150 17.283 1.00 55.32 C ATOM 1049 C ASN A 65 13.258 -1.333 16.615 1.00 53.15 C ATOM 1050 O ASN A 65 13.977 -0.364 16.369 1.00 54.41 O ATOM 1051 CB ASN A 65 11.967 -1.614 18.739 1.00 71.30 C ATOM 1052 CG ASN A 65 12.951 -0.803 19.559 1.00 24.20 C ATOM 1053 OD1 ASN A 65 13.304 0.319 19.194 1.00 30.45 O ATOM 1054 ND2 ASN A 65 13.400 -1.369 20.673 1.00 3.14 N ATOM 0 H ASN A 65 10.479 -2.680 17.076 1.00 1.34 H new ATOM 0 HA ASN A 65 11.642 -0.091 17.258 1.00 55.32 H new ATOM 0 HB2 ASN A 65 10.976 -1.540 19.188 1.00 71.30 H new ATOM 0 HB3 ASN A 65 12.253 -2.665 18.769 1.00 71.30 H new ATOM 0 HD21 ASN A 65 14.065 -0.872 21.265 1.00 3.14 H new ATOM 0 HD22 ASN A 65 13.080 -2.301 20.936 1.00 3.14 H new ATOM 1061 N HIS A 66 13.604 -2.583 16.322 1.00 13.40 N ATOM 1062 CA HIS A 66 14.876 -2.893 15.681 1.00 64.43 C ATOM 1063 C HIS A 66 14.941 -2.289 14.281 1.00 24.03 C ATOM 1064 O HIS A 66 15.986 -1.797 13.855 1.00 51.45 O ATOM 1065 CB HIS A 66 15.077 -4.407 15.605 1.00 61.20 C ATOM 1066 CG HIS A 66 16.440 -4.808 15.129 1.00 55.42 C ATOM 1067 ND1 HIS A 66 17.539 -4.870 15.959 1.00 73.00 N ATOM 1068 CD2 HIS A 66 16.877 -5.169 13.900 1.00 60.11 C ATOM 1069 CE1 HIS A 66 18.594 -5.251 15.261 1.00 12.30 C ATOM 1070 NE2 HIS A 66 18.219 -5.439 14.009 1.00 70.24 N ATOM 0 H HIS A 66 13.021 -3.397 16.518 1.00 13.40 H new ATOM 0 HA HIS A 66 15.673 -2.457 16.283 1.00 64.43 H new ATOM 0 HB2 HIS A 66 14.904 -4.838 16.591 1.00 61.20 H new ATOM 0 HB3 HIS A 66 14.328 -4.831 14.936 1.00 61.20 H new ATOM 0 HD2 HIS A 66 16.281 -5.233 13.001 1.00 60.11 H new ATOM 0 HE1 HIS A 66 19.593 -5.386 15.648 1.00 12.30 H new ATOM 0 HE2 HIS A 66 18.828 -5.737 13.246 1.00 70.24 H new ATOM 1078 N VAL A 67 13.819 -2.331 13.571 1.00 15.21 N ATOM 1079 CA VAL A 67 13.748 -1.787 12.220 1.00 31.20 C ATOM 1080 C VAL A 67 13.953 -0.277 12.224 1.00 4.40 C ATOM 1081 O VAL A 67 14.807 0.247 11.507 1.00 32.34 O ATOM 1082 CB VAL A 67 12.396 -2.109 11.556 1.00 51.53 C ATOM 1083 CG1 VAL A 67 12.346 -1.542 10.145 1.00 70.21 C ATOM 1084 CG2 VAL A 67 12.151 -3.610 11.545 1.00 4.14 C ATOM 0 H VAL A 67 12.946 -2.736 13.909 1.00 15.21 H new ATOM 0 HA VAL A 67 14.547 -2.257 11.647 1.00 31.20 H new ATOM 0 HB VAL A 67 11.604 -1.640 12.139 1.00 51.53 H new ATOM 0 HG11 VAL A 67 11.384 -1.779 9.691 1.00 70.21 H new ATOM 0 HG12 VAL A 67 12.472 -0.460 10.183 1.00 70.21 H new ATOM 0 HG13 VAL A 67 13.146 -1.980 9.548 1.00 70.21 H new ATOM 0 HG21 VAL A 67 11.191 -3.819 11.072 1.00 4.14 H new ATOM 0 HG22 VAL A 67 12.946 -4.104 10.986 1.00 4.14 H new ATOM 0 HG23 VAL A 67 12.140 -3.984 12.569 1.00 4.14 H new ATOM 1094 N VAL A 68 13.165 0.420 13.037 1.00 44.32 N ATOM 1095 CA VAL A 68 13.262 1.872 13.136 1.00 74.30 C ATOM 1096 C VAL A 68 14.668 2.303 13.536 1.00 10.22 C ATOM 1097 O VAL A 68 15.258 3.184 12.912 1.00 10.50 O ATOM 1098 CB VAL A 68 12.254 2.432 14.157 1.00 2.53 C ATOM 1099 CG1 VAL A 68 12.454 3.930 14.338 1.00 73.44 C ATOM 1100 CG2 VAL A 68 10.829 2.125 13.723 1.00 21.45 C ATOM 0 H VAL A 68 12.453 0.003 13.636 1.00 44.32 H new ATOM 0 HA VAL A 68 13.030 2.274 12.150 1.00 74.30 H new ATOM 0 HB VAL A 68 12.429 1.947 15.117 1.00 2.53 H new ATOM 0 HG11 VAL A 68 11.733 4.308 15.063 1.00 73.44 H new ATOM 0 HG12 VAL A 68 13.465 4.121 14.698 1.00 73.44 H new ATOM 0 HG13 VAL A 68 12.307 4.435 13.383 1.00 73.44 H new ATOM 0 HG21 VAL A 68 10.130 2.528 14.456 1.00 21.45 H new ATOM 0 HG22 VAL A 68 10.638 2.581 12.751 1.00 21.45 H new ATOM 0 HG23 VAL A 68 10.695 1.046 13.650 1.00 21.45 H new ATOM 1110 N GLN A 69 15.199 1.676 14.581 1.00 72.43 N ATOM 1111 CA GLN A 69 16.537 1.995 15.064 1.00 13.43 C ATOM 1112 C GLN A 69 17.560 1.899 13.938 1.00 62.02 C ATOM 1113 O GLN A 69 18.493 2.698 13.865 1.00 50.42 O ATOM 1114 CB GLN A 69 16.927 1.055 16.206 1.00 3.41 C ATOM 1115 CG GLN A 69 16.520 1.564 17.579 1.00 10.34 C ATOM 1116 CD GLN A 69 16.870 0.593 18.689 1.00 33.42 C ATOM 1117 OE1 GLN A 69 17.904 -0.074 18.643 1.00 1.14 O ATOM 1118 NE2 GLN A 69 16.007 0.507 19.695 1.00 20.20 N ATOM 0 H GLN A 69 14.723 0.944 15.109 1.00 72.43 H new ATOM 0 HA GLN A 69 16.528 3.020 15.434 1.00 13.43 H new ATOM 0 HB2 GLN A 69 16.467 0.082 16.037 1.00 3.41 H new ATOM 0 HB3 GLN A 69 18.006 0.904 16.189 1.00 3.41 H new ATOM 0 HG2 GLN A 69 17.011 2.519 17.768 1.00 10.34 H new ATOM 0 HG3 GLN A 69 15.446 1.750 17.590 1.00 10.34 H new ATOM 0 HE21 GLN A 69 15.162 1.079 19.693 1.00 20.20 H new ATOM 0 HE22 GLN A 69 16.189 -0.131 20.470 1.00 20.20 H new ATOM 1127 N GLN A 70 17.379 0.915 13.063 1.00 53.35 N ATOM 1128 CA GLN A 70 18.288 0.715 11.940 1.00 32.43 C ATOM 1129 C GLN A 70 18.089 1.792 10.879 1.00 3.25 C ATOM 1130 O GLN A 70 19.029 2.167 10.178 1.00 34.12 O ATOM 1131 CB GLN A 70 18.074 -0.669 11.325 1.00 60.33 C ATOM 1132 CG GLN A 70 18.936 -1.754 11.951 1.00 11.42 C ATOM 1133 CD GLN A 70 20.167 -2.070 11.125 1.00 21.23 C ATOM 1134 OE1 GLN A 70 20.476 -3.235 10.872 1.00 40.13 O ATOM 1135 NE2 GLN A 70 20.878 -1.032 10.700 1.00 22.43 N ATOM 0 H GLN A 70 16.612 0.244 13.110 1.00 53.35 H new ATOM 0 HA GLN A 70 19.309 0.785 12.315 1.00 32.43 H new ATOM 0 HB2 GLN A 70 17.025 -0.945 11.429 1.00 60.33 H new ATOM 0 HB3 GLN A 70 18.286 -0.619 10.257 1.00 60.33 H new ATOM 0 HG2 GLN A 70 19.243 -1.439 12.948 1.00 11.42 H new ATOM 0 HG3 GLN A 70 18.342 -2.660 12.072 1.00 11.42 H new ATOM 0 HE21 GLN A 70 20.585 -0.083 10.933 1.00 22.43 H new ATOM 0 HE22 GLN A 70 21.717 -1.183 10.140 1.00 22.43 H new ATOM 1144 N ALA A 71 16.861 2.286 10.768 1.00 54.34 N ATOM 1145 CA ALA A 71 16.540 3.322 9.793 1.00 35.15 C ATOM 1146 C ALA A 71 17.508 4.495 9.900 1.00 15.34 C ATOM 1147 O ALA A 71 17.892 5.090 8.893 1.00 10.55 O ATOM 1148 CB ALA A 71 15.107 3.798 9.982 1.00 11.24 C ATOM 0 H ALA A 71 16.072 1.986 11.341 1.00 54.34 H new ATOM 0 HA ALA A 71 16.640 2.892 8.796 1.00 35.15 H new ATOM 0 HB1 ALA A 71 14.881 4.571 9.248 1.00 11.24 H new ATOM 0 HB2 ALA A 71 14.424 2.959 9.848 1.00 11.24 H new ATOM 0 HB3 ALA A 71 14.988 4.205 10.986 1.00 11.24 H new ATOM 1154 N LYS A 72 17.898 4.824 11.127 1.00 1.21 N ATOM 1155 CA LYS A 72 18.822 5.926 11.367 1.00 50.43 C ATOM 1156 C LYS A 72 20.107 5.743 10.566 1.00 25.45 C ATOM 1157 O LYS A 72 20.737 6.715 10.153 1.00 2.21 O ATOM 1158 CB LYS A 72 19.148 6.031 12.858 1.00 32.23 C ATOM 1159 CG LYS A 72 18.090 6.767 13.662 1.00 72.10 C ATOM 1160 CD LYS A 72 18.386 8.255 13.742 1.00 12.14 C ATOM 1161 CE LYS A 72 17.794 8.874 14.999 1.00 31.15 C ATOM 1162 NZ LYS A 72 18.712 8.748 16.165 1.00 2.00 N ATOM 0 H LYS A 72 17.588 4.343 11.971 1.00 1.21 H new ATOM 0 HA LYS A 72 18.340 6.848 11.042 1.00 50.43 H new ATOM 0 HB2 LYS A 72 19.270 5.028 13.266 1.00 32.23 H new ATOM 0 HB3 LYS A 72 20.104 6.542 12.977 1.00 32.23 H new ATOM 0 HG2 LYS A 72 17.112 6.614 13.205 1.00 72.10 H new ATOM 0 HG3 LYS A 72 18.041 6.350 14.668 1.00 72.10 H new ATOM 0 HD2 LYS A 72 19.464 8.414 13.730 1.00 12.14 H new ATOM 0 HD3 LYS A 72 17.980 8.756 12.863 1.00 12.14 H new ATOM 0 HE2 LYS A 72 17.579 9.927 14.818 1.00 31.15 H new ATOM 0 HE3 LYS A 72 16.845 8.390 15.230 1.00 31.15 H new ATOM 0 HZ1 LYS A 72 18.237 8.220 16.925 1.00 2.00 H new ATOM 0 HZ2 LYS A 72 19.573 8.241 15.876 1.00 2.00 H new ATOM 0 HZ3 LYS A 72 18.968 9.695 16.509 1.00 2.00 H new ATOM 1176 N GLY A 73 20.491 4.488 10.350 1.00 34.23 N ATOM 1177 CA GLY A 73 21.698 4.200 9.599 1.00 63.11 C ATOM 1178 C GLY A 73 21.509 4.378 8.106 1.00 54.53 C ATOM 1179 O GLY A 73 22.479 4.536 7.365 1.00 11.24 O ATOM 0 H GLY A 73 19.987 3.666 10.682 1.00 34.23 H new ATOM 0 HA2 GLY A 73 22.500 4.855 9.941 1.00 63.11 H new ATOM 0 HA3 GLY A 73 22.013 3.177 9.803 1.00 63.11 H new ATOM 1183 N GLN A 74 20.256 4.352 7.663 1.00 72.04 N ATOM 1184 CA GLN A 74 19.943 4.510 6.247 1.00 22.12 C ATOM 1185 C GLN A 74 19.357 5.890 5.970 1.00 41.42 C ATOM 1186 O GLN A 74 18.696 6.103 4.953 1.00 13.34 O ATOM 1187 CB GLN A 74 18.962 3.426 5.796 1.00 43.32 C ATOM 1188 CG GLN A 74 19.300 2.042 6.325 1.00 34.20 C ATOM 1189 CD GLN A 74 20.785 1.742 6.271 1.00 53.02 C ATOM 1190 OE1 GLN A 74 21.491 2.205 5.375 1.00 51.42 O ATOM 1191 NE2 GLN A 74 21.267 0.963 7.232 1.00 2.31 N ATOM 0 H GLN A 74 19.442 4.223 8.263 1.00 72.04 H new ATOM 0 HA GLN A 74 20.870 4.409 5.682 1.00 22.12 H new ATOM 0 HB2 GLN A 74 17.958 3.696 6.124 1.00 43.32 H new ATOM 0 HB3 GLN A 74 18.943 3.395 4.707 1.00 43.32 H new ATOM 0 HG2 GLN A 74 18.953 1.956 7.355 1.00 34.20 H new ATOM 0 HG3 GLN A 74 18.761 1.294 5.744 1.00 34.20 H new ATOM 0 HE21 GLN A 74 20.645 0.601 7.955 1.00 2.31 H new ATOM 0 HE22 GLN A 74 22.259 0.726 7.247 1.00 2.31 H new ATOM 1200 N LYS A 75 19.604 6.826 6.880 1.00 14.14 N ATOM 1201 CA LYS A 75 19.102 8.187 6.735 1.00 53.23 C ATOM 1202 C LYS A 75 17.600 8.188 6.469 1.00 34.23 C ATOM 1203 O LYS A 75 17.135 8.759 5.483 1.00 54.24 O ATOM 1204 CB LYS A 75 19.832 8.903 5.596 1.00 72.22 C ATOM 1205 CG LYS A 75 21.256 9.302 5.942 1.00 31.30 C ATOM 1206 CD LYS A 75 22.244 8.200 5.595 1.00 55.43 C ATOM 1207 CE LYS A 75 22.629 8.241 4.124 1.00 4.30 C ATOM 1208 NZ LYS A 75 23.423 9.457 3.792 1.00 31.04 N ATOM 0 H LYS A 75 20.150 6.666 7.727 1.00 14.14 H new ATOM 0 HA LYS A 75 19.288 8.717 7.669 1.00 53.23 H new ATOM 0 HB2 LYS A 75 19.848 8.253 4.721 1.00 72.22 H new ATOM 0 HB3 LYS A 75 19.270 9.795 5.320 1.00 72.22 H new ATOM 0 HG2 LYS A 75 21.521 10.212 5.404 1.00 31.30 H new ATOM 0 HG3 LYS A 75 21.323 9.530 7.006 1.00 31.30 H new ATOM 0 HD2 LYS A 75 23.138 8.305 6.209 1.00 55.43 H new ATOM 0 HD3 LYS A 75 21.807 7.230 5.831 1.00 55.43 H new ATOM 0 HE2 LYS A 75 23.207 7.351 3.875 1.00 4.30 H new ATOM 0 HE3 LYS A 75 21.727 8.218 3.512 1.00 4.30 H new ATOM 0 HZ1 LYS A 75 23.971 9.287 2.925 1.00 31.04 H new ATOM 0 HZ2 LYS A 75 22.781 10.261 3.644 1.00 31.04 H new ATOM 0 HZ3 LYS A 75 24.072 9.672 4.576 1.00 31.04 H new ATOM 1222 N ILE A 76 16.847 7.546 7.356 1.00 74.30 N ATOM 1223 CA ILE A 76 15.397 7.475 7.218 1.00 43.11 C ATOM 1224 C ILE A 76 14.699 8.094 8.424 1.00 3.12 C ATOM 1225 O ILE A 76 14.980 7.735 9.568 1.00 3.21 O ATOM 1226 CB ILE A 76 14.918 6.021 7.052 1.00 72.02 C ATOM 1227 CG1 ILE A 76 15.794 5.285 6.036 1.00 21.23 C ATOM 1228 CG2 ILE A 76 13.459 5.990 6.621 1.00 11.24 C ATOM 1229 CD1 ILE A 76 15.398 3.839 5.832 1.00 4.24 C ATOM 0 H ILE A 76 17.217 7.068 8.178 1.00 74.30 H new ATOM 0 HA ILE A 76 15.137 8.039 6.322 1.00 43.11 H new ATOM 0 HB ILE A 76 15.004 5.514 8.013 1.00 72.02 H new ATOM 0 HG12 ILE A 76 15.743 5.806 5.080 1.00 21.23 H new ATOM 0 HG13 ILE A 76 16.832 5.326 6.366 1.00 21.23 H new ATOM 0 HG21 ILE A 76 13.135 4.955 6.508 1.00 11.24 H new ATOM 0 HG22 ILE A 76 12.846 6.482 7.376 1.00 11.24 H new ATOM 0 HG23 ILE A 76 13.350 6.511 5.670 1.00 11.24 H new ATOM 0 HD11 ILE A 76 16.062 3.380 5.099 1.00 4.24 H new ATOM 0 HD12 ILE A 76 15.476 3.303 6.778 1.00 4.24 H new ATOM 0 HD13 ILE A 76 14.370 3.791 5.472 1.00 4.24 H new ATOM 1241 N ILE A 77 13.788 9.024 8.160 1.00 34.15 N ATOM 1242 CA ILE A 77 13.047 9.691 9.224 1.00 22.54 C ATOM 1243 C ILE A 77 11.560 9.364 9.147 1.00 33.20 C ATOM 1244 O ILE A 77 10.847 9.432 10.148 1.00 60.30 O ATOM 1245 CB ILE A 77 13.229 11.219 9.165 1.00 24.31 C ATOM 1246 CG1 ILE A 77 14.717 11.577 9.172 1.00 12.42 C ATOM 1247 CG2 ILE A 77 12.513 11.883 10.331 1.00 1.13 C ATOM 1248 CD1 ILE A 77 14.985 13.045 8.925 1.00 5.43 C ATOM 0 H ILE A 77 13.545 9.333 7.219 1.00 34.15 H new ATOM 0 HA ILE A 77 13.449 9.322 10.167 1.00 22.54 H new ATOM 0 HB ILE A 77 12.790 11.587 8.238 1.00 24.31 H new ATOM 0 HG12 ILE A 77 15.146 11.294 10.133 1.00 12.42 H new ATOM 0 HG13 ILE A 77 15.228 10.989 8.409 1.00 12.42 H new ATOM 0 HG21 ILE A 77 12.651 12.963 10.275 1.00 1.13 H new ATOM 0 HG22 ILE A 77 11.449 11.650 10.285 1.00 1.13 H new ATOM 0 HG23 ILE A 77 12.925 11.512 11.270 1.00 1.13 H new ATOM 0 HD11 ILE A 77 16.060 13.227 8.944 1.00 5.43 H new ATOM 0 HD12 ILE A 77 14.586 13.329 7.951 1.00 5.43 H new ATOM 0 HD13 ILE A 77 14.503 13.639 9.702 1.00 5.43 H new ATOM 1260 N GLN A 78 11.099 9.008 7.952 1.00 20.32 N ATOM 1261 CA GLN A 78 9.696 8.669 7.745 1.00 40.11 C ATOM 1262 C GLN A 78 9.275 7.515 8.648 1.00 24.43 C ATOM 1263 O GLN A 78 8.115 7.417 9.048 1.00 21.32 O ATOM 1264 CB GLN A 78 9.449 8.302 6.280 1.00 1.55 C ATOM 1265 CG GLN A 78 9.882 9.382 5.302 1.00 62.13 C ATOM 1266 CD GLN A 78 8.960 10.585 5.314 1.00 74.24 C ATOM 1267 OE1 GLN A 78 8.009 10.660 4.535 1.00 51.23 O ATOM 1268 NE2 GLN A 78 9.236 11.534 6.200 1.00 13.20 N ATOM 0 H GLN A 78 11.676 8.947 7.113 1.00 20.32 H new ATOM 0 HA GLN A 78 9.096 9.543 8.000 1.00 40.11 H new ATOM 0 HB2 GLN A 78 9.983 7.380 6.050 1.00 1.55 H new ATOM 0 HB3 GLN A 78 8.387 8.100 6.139 1.00 1.55 H new ATOM 0 HG2 GLN A 78 10.895 9.703 5.546 1.00 62.13 H new ATOM 0 HG3 GLN A 78 9.914 8.964 4.296 1.00 62.13 H new ATOM 0 HE21 GLN A 78 10.034 11.430 6.826 1.00 13.20 H new ATOM 0 HE22 GLN A 78 8.650 12.367 6.255 1.00 13.20 H new ATOM 1277 N PHE A 79 10.226 6.642 8.966 1.00 32.11 N ATOM 1278 CA PHE A 79 9.954 5.493 9.822 1.00 75.35 C ATOM 1279 C PHE A 79 9.702 5.933 11.261 1.00 44.43 C ATOM 1280 O PHE A 79 8.792 5.436 11.922 1.00 12.03 O ATOM 1281 CB PHE A 79 11.123 4.507 9.775 1.00 73.13 C ATOM 1282 CG PHE A 79 10.851 3.294 8.931 1.00 41.42 C ATOM 1283 CD1 PHE A 79 9.720 2.523 9.147 1.00 44.25 C ATOM 1284 CD2 PHE A 79 11.726 2.926 7.922 1.00 41.34 C ATOM 1285 CE1 PHE A 79 9.469 1.407 8.372 1.00 74.41 C ATOM 1286 CE2 PHE A 79 11.479 1.811 7.143 1.00 23.14 C ATOM 1287 CZ PHE A 79 10.348 1.051 7.368 1.00 24.23 C ATOM 0 H PHE A 79 11.191 6.709 8.644 1.00 32.11 H new ATOM 0 HA PHE A 79 9.056 4.999 9.450 1.00 75.35 H new ATOM 0 HB2 PHE A 79 12.004 5.019 9.388 1.00 73.13 H new ATOM 0 HB3 PHE A 79 11.360 4.188 10.790 1.00 73.13 H new ATOM 0 HD1 PHE A 79 9.028 2.797 9.929 1.00 44.25 H new ATOM 0 HD2 PHE A 79 12.612 3.517 7.742 1.00 41.34 H new ATOM 0 HE1 PHE A 79 8.585 0.813 8.551 1.00 74.41 H new ATOM 0 HE2 PHE A 79 12.169 1.535 6.360 1.00 23.14 H new ATOM 0 HZ PHE A 79 10.151 0.180 6.760 1.00 24.23 H new ATOM 1297 N GLN A 80 10.517 6.869 11.738 1.00 63.15 N ATOM 1298 CA GLN A 80 10.384 7.376 13.098 1.00 24.43 C ATOM 1299 C GLN A 80 9.068 8.125 13.274 1.00 12.00 C ATOM 1300 O GLN A 80 8.395 7.987 14.296 1.00 61.43 O ATOM 1301 CB GLN A 80 11.558 8.295 13.439 1.00 0.53 C ATOM 1302 CG GLN A 80 12.918 7.647 13.238 1.00 20.31 C ATOM 1303 CD GLN A 80 14.056 8.646 13.300 1.00 3.00 C ATOM 1304 OE1 GLN A 80 13.857 9.811 13.646 1.00 30.34 O ATOM 1305 NE2 GLN A 80 15.259 8.195 12.964 1.00 42.21 N ATOM 0 H GLN A 80 11.276 7.291 11.203 1.00 63.15 H new ATOM 0 HA GLN A 80 10.389 6.524 13.778 1.00 24.43 H new ATOM 0 HB2 GLN A 80 11.498 9.192 12.822 1.00 0.53 H new ATOM 0 HB3 GLN A 80 11.468 8.616 14.477 1.00 0.53 H new ATOM 0 HG2 GLN A 80 13.068 6.883 14.001 1.00 20.31 H new ATOM 0 HG3 GLN A 80 12.936 7.141 12.273 1.00 20.31 H new ATOM 0 HE21 GLN A 80 15.379 7.222 12.683 1.00 42.21 H new ATOM 0 HE22 GLN A 80 16.063 8.822 12.987 1.00 42.21 H new ATOM 1314 N ASP A 81 8.707 8.919 12.272 1.00 35.20 N ATOM 1315 CA ASP A 81 7.470 9.690 12.315 1.00 13.24 C ATOM 1316 C ASP A 81 6.259 8.788 12.099 1.00 33.14 C ATOM 1317 O ASP A 81 5.184 9.033 12.647 1.00 11.10 O ATOM 1318 CB ASP A 81 7.494 10.794 11.257 1.00 63.33 C ATOM 1319 CG ASP A 81 6.686 12.009 11.668 1.00 71.42 C ATOM 1320 OD1 ASP A 81 7.143 12.749 12.563 1.00 14.23 O ATOM 1321 OD2 ASP A 81 5.596 12.218 11.095 1.00 42.35 O ATOM 0 H ASP A 81 9.253 9.046 11.420 1.00 35.20 H new ATOM 0 HA ASP A 81 7.390 10.145 13.302 1.00 13.24 H new ATOM 0 HB2 ASP A 81 8.526 11.093 11.072 1.00 63.33 H new ATOM 0 HB3 ASP A 81 7.103 10.402 10.318 1.00 63.33 H new ATOM 1326 N SER A 82 6.441 7.744 11.297 1.00 75.10 N ATOM 1327 CA SER A 82 5.362 6.808 11.004 1.00 34.44 C ATOM 1328 C SER A 82 5.096 5.894 12.197 1.00 5.45 C ATOM 1329 O SER A 82 3.963 5.776 12.664 1.00 42.50 O ATOM 1330 CB SER A 82 5.706 5.969 9.772 1.00 30.32 C ATOM 1331 OG SER A 82 5.429 6.679 8.578 1.00 41.41 O ATOM 0 H SER A 82 7.325 7.525 10.839 1.00 75.10 H new ATOM 0 HA SER A 82 4.460 7.385 10.802 1.00 34.44 H new ATOM 0 HB2 SER A 82 6.760 5.693 9.799 1.00 30.32 H new ATOM 0 HB3 SER A 82 5.134 5.042 9.788 1.00 30.32 H new ATOM 0 HG SER A 82 6.169 7.292 8.383 1.00 41.41 H new ATOM 1337 N PHE A 83 6.150 5.250 12.687 1.00 65.32 N ATOM 1338 CA PHE A 83 6.033 4.346 13.825 1.00 60.41 C ATOM 1339 C PHE A 83 5.904 5.127 15.129 1.00 11.02 C ATOM 1340 O PHE A 83 5.450 4.596 16.142 1.00 74.25 O ATOM 1341 CB PHE A 83 7.246 3.416 13.892 1.00 25.02 C ATOM 1342 CG PHE A 83 7.095 2.171 13.065 1.00 11.51 C ATOM 1343 CD1 PHE A 83 5.990 1.350 13.222 1.00 61.10 C ATOM 1344 CD2 PHE A 83 8.057 1.823 12.131 1.00 54.45 C ATOM 1345 CE1 PHE A 83 5.849 0.204 12.463 1.00 73.23 C ATOM 1346 CE2 PHE A 83 7.920 0.679 11.368 1.00 63.40 C ATOM 1347 CZ PHE A 83 6.814 -0.132 11.534 1.00 43.43 C ATOM 0 H PHE A 83 7.095 5.337 12.314 1.00 65.32 H new ATOM 0 HA PHE A 83 5.132 3.747 13.690 1.00 60.41 H new ATOM 0 HB2 PHE A 83 8.129 3.960 13.557 1.00 25.02 H new ATOM 0 HB3 PHE A 83 7.420 3.134 14.930 1.00 25.02 H new ATOM 0 HD1 PHE A 83 5.231 1.609 13.945 1.00 61.10 H new ATOM 0 HD2 PHE A 83 8.924 2.453 11.998 1.00 54.45 H new ATOM 0 HE1 PHE A 83 4.984 -0.429 12.596 1.00 73.23 H new ATOM 0 HE2 PHE A 83 8.677 0.419 10.643 1.00 63.40 H new ATOM 0 HZ PHE A 83 6.704 -1.026 10.939 1.00 43.43 H new ATOM 1357 N GLY A 84 6.308 6.393 15.096 1.00 10.40 N ATOM 1358 CA GLY A 84 6.230 7.228 16.281 1.00 44.03 C ATOM 1359 C GLY A 84 4.839 7.786 16.506 1.00 4.35 C ATOM 1360 O GLY A 84 4.365 7.853 17.641 1.00 42.12 O ATOM 0 H GLY A 84 6.688 6.856 14.270 1.00 10.40 H new ATOM 0 HA2 GLY A 84 6.530 6.646 17.152 1.00 44.03 H new ATOM 0 HA3 GLY A 84 6.938 8.052 16.189 1.00 44.03 H new ATOM 1364 N LYS A 85 4.183 8.191 15.424 1.00 30.53 N ATOM 1365 CA LYS A 85 2.838 8.747 15.508 1.00 72.10 C ATOM 1366 C LYS A 85 1.841 7.693 15.979 1.00 23.52 C ATOM 1367 O LYS A 85 0.770 8.021 16.489 1.00 73.51 O ATOM 1368 CB LYS A 85 2.407 9.299 14.148 1.00 54.45 C ATOM 1369 CG LYS A 85 2.054 8.221 13.137 1.00 1.42 C ATOM 1370 CD LYS A 85 0.551 8.109 12.943 1.00 22.24 C ATOM 1371 CE LYS A 85 -0.019 9.351 12.276 1.00 72.54 C ATOM 1372 NZ LYS A 85 -0.229 9.148 10.815 1.00 10.12 N ATOM 0 H LYS A 85 4.561 8.144 14.478 1.00 30.53 H new ATOM 0 HA LYS A 85 2.853 9.559 16.236 1.00 72.10 H new ATOM 0 HB2 LYS A 85 1.545 9.951 14.287 1.00 54.45 H new ATOM 0 HB3 LYS A 85 3.211 9.915 13.744 1.00 54.45 H new ATOM 0 HG2 LYS A 85 2.529 8.447 12.182 1.00 1.42 H new ATOM 0 HG3 LYS A 85 2.451 7.263 13.472 1.00 1.42 H new ATOM 0 HD2 LYS A 85 0.326 7.233 12.335 1.00 22.24 H new ATOM 0 HD3 LYS A 85 0.069 7.960 13.909 1.00 22.24 H new ATOM 0 HE2 LYS A 85 -0.967 9.614 12.746 1.00 72.54 H new ATOM 0 HE3 LYS A 85 0.658 10.191 12.433 1.00 72.54 H new ATOM 0 HZ1 LYS A 85 -0.618 10.017 10.396 1.00 10.12 H new ATOM 0 HZ2 LYS A 85 0.679 8.922 10.362 1.00 10.12 H new ATOM 0 HZ3 LYS A 85 -0.895 8.363 10.666 1.00 10.12 H new ATOM 1386 N VAL A 86 2.202 6.425 15.807 1.00 61.21 N ATOM 1387 CA VAL A 86 1.341 5.322 16.217 1.00 13.31 C ATOM 1388 C VAL A 86 1.948 4.556 17.387 1.00 12.52 C ATOM 1389 O VAL A 86 1.376 3.577 17.864 1.00 22.25 O ATOM 1390 CB VAL A 86 1.088 4.345 15.054 1.00 71.21 C ATOM 1391 CG1 VAL A 86 0.402 5.056 13.898 1.00 53.32 C ATOM 1392 CG2 VAL A 86 2.393 3.709 14.600 1.00 61.40 C ATOM 0 H VAL A 86 3.085 6.136 15.386 1.00 61.21 H new ATOM 0 HA VAL A 86 0.392 5.760 16.527 1.00 13.31 H new ATOM 0 HB VAL A 86 0.427 3.553 15.405 1.00 71.21 H new ATOM 0 HG11 VAL A 86 0.232 4.349 13.086 1.00 53.32 H new ATOM 0 HG12 VAL A 86 -0.553 5.459 14.234 1.00 53.32 H new ATOM 0 HG13 VAL A 86 1.035 5.870 13.544 1.00 53.32 H new ATOM 0 HG21 VAL A 86 2.196 3.021 13.778 1.00 61.40 H new ATOM 0 HG22 VAL A 86 3.080 4.487 14.266 1.00 61.40 H new ATOM 0 HG23 VAL A 86 2.840 3.163 15.431 1.00 61.40 H new ATOM 1402 N ALA A 87 3.110 5.011 17.845 1.00 32.43 N ATOM 1403 CA ALA A 87 3.794 4.370 18.962 1.00 72.14 C ATOM 1404 C ALA A 87 3.091 4.670 20.281 1.00 2.23 C ATOM 1405 O ALA A 87 2.790 3.762 21.056 1.00 40.45 O ATOM 1406 CB ALA A 87 5.246 4.821 19.020 1.00 72.21 C ATOM 0 H ALA A 87 3.597 5.820 17.460 1.00 32.43 H new ATOM 0 HA ALA A 87 3.766 3.292 18.803 1.00 72.14 H new ATOM 0 HB1 ALA A 87 5.745 4.335 19.858 1.00 72.21 H new ATOM 0 HB2 ALA A 87 5.749 4.549 18.092 1.00 72.21 H new ATOM 0 HB3 ALA A 87 5.286 5.902 19.151 1.00 72.21 H new ATOM 1412 N ALA A 88 2.834 5.950 20.531 1.00 33.23 N ATOM 1413 CA ALA A 88 2.165 6.369 21.757 1.00 44.10 C ATOM 1414 C ALA A 88 0.797 5.710 21.889 1.00 31.53 C ATOM 1415 O ALA A 88 0.321 5.464 22.997 1.00 2.13 O ATOM 1416 CB ALA A 88 2.029 7.884 21.792 1.00 52.12 C ATOM 0 H ALA A 88 3.079 6.714 19.901 1.00 33.23 H new ATOM 0 HA ALA A 88 2.775 6.050 22.602 1.00 44.10 H new ATOM 0 HB1 ALA A 88 1.528 8.183 22.713 1.00 52.12 H new ATOM 0 HB2 ALA A 88 3.019 8.339 21.753 1.00 52.12 H new ATOM 0 HB3 ALA A 88 1.443 8.217 20.935 1.00 52.12 H new ATOM 1422 N GLU A 89 0.169 5.426 20.752 1.00 22.13 N ATOM 1423 CA GLU A 89 -1.146 4.796 20.743 1.00 21.01 C ATOM 1424 C GLU A 89 -1.031 3.293 20.980 1.00 22.12 C ATOM 1425 O GLU A 89 -1.596 2.758 21.934 1.00 15.41 O ATOM 1426 CB GLU A 89 -1.853 5.061 19.412 1.00 34.25 C ATOM 1427 CG GLU A 89 -3.361 4.879 19.478 1.00 65.53 C ATOM 1428 CD GLU A 89 -4.076 6.114 19.988 1.00 51.22 C ATOM 1429 OE1 GLU A 89 -4.313 7.037 19.181 1.00 50.43 O ATOM 1430 OE2 GLU A 89 -4.399 6.158 21.193 1.00 2.52 O ATOM 0 H GLU A 89 0.549 5.622 19.826 1.00 22.13 H new ATOM 0 HA GLU A 89 -1.734 5.230 21.552 1.00 21.01 H new ATOM 0 HB2 GLU A 89 -1.632 6.078 19.089 1.00 34.25 H new ATOM 0 HB3 GLU A 89 -1.447 4.390 18.655 1.00 34.25 H new ATOM 0 HG2 GLU A 89 -3.737 4.630 18.486 1.00 65.53 H new ATOM 0 HG3 GLU A 89 -3.593 4.035 20.128 1.00 65.53 H new ATOM 1437 N VAL A 90 -0.295 2.616 20.104 1.00 5.24 N ATOM 1438 CA VAL A 90 -0.104 1.175 20.218 1.00 51.24 C ATOM 1439 C VAL A 90 0.530 0.808 21.554 1.00 4.03 C ATOM 1440 O VAL A 90 -0.029 0.028 22.327 1.00 52.45 O ATOM 1441 CB VAL A 90 0.779 0.634 19.077 1.00 14.41 C ATOM 1442 CG1 VAL A 90 1.010 -0.860 19.243 1.00 13.21 C ATOM 1443 CG2 VAL A 90 0.148 0.938 17.726 1.00 21.13 C ATOM 0 H VAL A 90 0.179 3.042 19.308 1.00 5.24 H new ATOM 0 HA VAL A 90 -1.092 0.719 20.151 1.00 51.24 H new ATOM 0 HB VAL A 90 1.747 1.134 19.121 1.00 14.41 H new ATOM 0 HG11 VAL A 90 1.636 -1.224 18.428 1.00 13.21 H new ATOM 0 HG12 VAL A 90 1.508 -1.048 20.194 1.00 13.21 H new ATOM 0 HG13 VAL A 90 0.052 -1.380 19.226 1.00 13.21 H new ATOM 0 HG21 VAL A 90 0.785 0.549 16.931 1.00 21.13 H new ATOM 0 HG22 VAL A 90 -0.833 0.467 17.668 1.00 21.13 H new ATOM 0 HG23 VAL A 90 0.040 2.016 17.609 1.00 21.13 H new ATOM 1453 N LEU A 91 1.702 1.375 21.822 1.00 34.33 N ATOM 1454 CA LEU A 91 2.414 1.108 23.067 1.00 34.13 C ATOM 1455 C LEU A 91 1.517 1.368 24.274 1.00 43.12 C ATOM 1456 O LEU A 91 1.475 0.573 25.212 1.00 71.05 O ATOM 1457 CB LEU A 91 3.671 1.975 23.155 1.00 54.21 C ATOM 1458 CG LEU A 91 4.685 1.802 22.024 1.00 4.42 C ATOM 1459 CD1 LEU A 91 5.782 2.851 22.126 1.00 1.04 C ATOM 1460 CD2 LEU A 91 5.280 0.402 22.051 1.00 70.14 C ATOM 0 H LEU A 91 2.179 2.022 21.194 1.00 34.33 H new ATOM 0 HA LEU A 91 2.704 0.057 23.073 1.00 34.13 H new ATOM 0 HB2 LEU A 91 3.366 3.021 23.186 1.00 54.21 H new ATOM 0 HB3 LEU A 91 4.170 1.761 24.100 1.00 54.21 H new ATOM 0 HG LEU A 91 4.168 1.937 21.074 1.00 4.42 H new ATOM 0 HD11 LEU A 91 6.495 2.712 21.313 1.00 1.04 H new ATOM 0 HD12 LEU A 91 5.342 3.846 22.057 1.00 1.04 H new ATOM 0 HD13 LEU A 91 6.297 2.747 23.081 1.00 1.04 H new ATOM 0 HD21 LEU A 91 6.000 0.297 21.239 1.00 70.14 H new ATOM 0 HD22 LEU A 91 5.782 0.238 23.004 1.00 70.14 H new ATOM 0 HD23 LEU A 91 4.485 -0.334 21.929 1.00 70.14 H new ATOM 1472 N GLY A 92 0.800 2.487 24.241 1.00 11.24 N ATOM 1473 CA GLY A 92 -0.088 2.831 25.337 1.00 44.33 C ATOM 1474 C GLY A 92 -1.286 1.907 25.424 1.00 2.03 C ATOM 1475 O GLY A 92 -1.848 1.709 26.502 1.00 50.05 O ATOM 0 H GLY A 92 0.818 3.161 23.476 1.00 11.24 H new ATOM 0 HA2 GLY A 92 0.466 2.792 26.275 1.00 44.33 H new ATOM 0 HA3 GLY A 92 -0.433 3.857 25.213 1.00 44.33 H new ATOM 1479 N ARG A 93 -1.679 1.341 24.288 1.00 62.10 N ATOM 1480 CA ARG A 93 -2.820 0.435 24.240 1.00 30.15 C ATOM 1481 C ARG A 93 -2.425 -0.962 24.711 1.00 71.04 C ATOM 1482 O ARG A 93 -3.200 -1.644 25.382 1.00 53.05 O ATOM 1483 CB ARG A 93 -3.385 0.366 22.820 1.00 21.05 C ATOM 1484 CG ARG A 93 -4.480 1.385 22.551 1.00 73.43 C ATOM 1485 CD ARG A 93 -5.718 1.107 23.390 1.00 3.41 C ATOM 1486 NE ARG A 93 -6.835 1.972 23.020 1.00 1.33 N ATOM 1487 CZ ARG A 93 -7.607 1.763 21.960 1.00 31.50 C ATOM 1488 NH1 ARG A 93 -7.385 0.722 21.169 1.00 25.22 N ATOM 1489 NH2 ARG A 93 -8.605 2.594 21.689 1.00 3.43 N ATOM 0 H ARG A 93 -1.224 1.494 23.388 1.00 62.10 H new ATOM 0 HA ARG A 93 -3.588 0.822 24.910 1.00 30.15 H new ATOM 0 HB2 ARG A 93 -2.574 0.519 22.108 1.00 21.05 H new ATOM 0 HB3 ARG A 93 -3.780 -0.634 22.643 1.00 21.05 H new ATOM 0 HG2 ARG A 93 -4.108 2.386 22.769 1.00 73.43 H new ATOM 0 HG3 ARG A 93 -4.744 1.367 21.494 1.00 73.43 H new ATOM 0 HD2 ARG A 93 -6.011 0.064 23.269 1.00 3.41 H new ATOM 0 HD3 ARG A 93 -5.481 1.251 24.444 1.00 3.41 H new ATOM 0 HE ARG A 93 -7.033 2.781 23.608 1.00 1.33 H new ATOM 0 HH11 ARG A 93 -6.620 0.080 21.374 1.00 25.22 H new ATOM 0 HH12 ARG A 93 -7.980 0.564 20.355 1.00 25.22 H new ATOM 0 HH21 ARG A 93 -8.780 3.395 22.295 1.00 3.43 H new ATOM 0 HH22 ARG A 93 -9.197 2.432 20.874 1.00 3.43 H new ATOM 1503 N ILE A 94 -1.216 -1.381 24.353 1.00 3.14 N ATOM 1504 CA ILE A 94 -0.718 -2.696 24.739 1.00 14.42 C ATOM 1505 C ILE A 94 -0.148 -2.674 26.153 1.00 33.53 C ATOM 1506 O ILE A 94 -0.131 -3.694 26.842 1.00 54.21 O ATOM 1507 CB ILE A 94 0.367 -3.194 23.767 1.00 24.24 C ATOM 1508 CG1 ILE A 94 1.615 -2.315 23.868 1.00 43.42 C ATOM 1509 CG2 ILE A 94 -0.164 -3.209 22.342 1.00 42.41 C ATOM 1510 CD1 ILE A 94 2.736 -2.749 22.949 1.00 1.24 C ATOM 0 H ILE A 94 -0.563 -0.829 23.796 1.00 3.14 H new ATOM 0 HA ILE A 94 -1.567 -3.379 24.703 1.00 14.42 H new ATOM 0 HB ILE A 94 0.640 -4.213 24.042 1.00 24.24 H new ATOM 0 HG12 ILE A 94 1.344 -1.285 23.636 1.00 43.42 H new ATOM 0 HG13 ILE A 94 1.975 -2.326 24.897 1.00 43.42 H new ATOM 0 HG21 ILE A 94 0.615 -3.563 21.667 1.00 42.41 H new ATOM 0 HG22 ILE A 94 -1.026 -3.873 22.282 1.00 42.41 H new ATOM 0 HG23 ILE A 94 -0.462 -2.201 22.054 1.00 42.41 H new ATOM 0 HD11 ILE A 94 3.588 -2.081 23.074 1.00 1.24 H new ATOM 0 HD12 ILE A 94 3.035 -3.768 23.195 1.00 1.24 H new ATOM 0 HD13 ILE A 94 2.394 -2.711 21.915 1.00 1.24 H new ATOM 1522 N ASN A 95 0.317 -1.505 26.581 1.00 53.14 N ATOM 1523 CA ASN A 95 0.887 -1.350 27.914 1.00 33.10 C ATOM 1524 C ASN A 95 -0.185 -1.520 28.987 1.00 42.52 C ATOM 1525 O ASN A 95 0.092 -2.009 30.081 1.00 33.43 O ATOM 1526 CB ASN A 95 1.550 0.022 28.052 1.00 73.12 C ATOM 1527 CG ASN A 95 2.035 0.290 29.463 1.00 0.42 C ATOM 1528 OD1 ASN A 95 3.176 -0.018 29.808 1.00 11.44 O ATOM 1529 ND2 ASN A 95 1.168 0.867 30.287 1.00 11.41 N ATOM 0 H ASN A 95 0.310 -0.651 26.024 1.00 53.14 H new ATOM 0 HA ASN A 95 1.641 -2.125 28.052 1.00 33.10 H new ATOM 0 HB2 ASN A 95 2.392 0.087 27.363 1.00 73.12 H new ATOM 0 HB3 ASN A 95 0.840 0.796 27.761 1.00 73.12 H new ATOM 0 HD21 ASN A 95 1.438 1.072 31.249 1.00 11.41 H new ATOM 0 HD22 ASN A 95 0.232 1.105 29.958 1.00 11.41 H new ATOM 1536 N GLN A 96 -1.408 -1.111 28.664 1.00 63.44 N ATOM 1537 CA GLN A 96 -2.520 -1.218 29.600 1.00 75.12 C ATOM 1538 C GLN A 96 -3.102 -2.628 29.595 1.00 12.14 C ATOM 1539 O GLN A 96 -3.539 -3.132 30.629 1.00 11.25 O ATOM 1540 CB GLN A 96 -3.610 -0.203 29.248 1.00 25.11 C ATOM 1541 CG GLN A 96 -4.077 -0.288 27.804 1.00 45.31 C ATOM 1542 CD GLN A 96 -5.283 0.588 27.528 1.00 1.05 C ATOM 1543 OE1 GLN A 96 -6.310 0.114 27.043 1.00 55.32 O ATOM 1544 NE2 GLN A 96 -5.164 1.874 27.838 1.00 34.11 N ATOM 0 H GLN A 96 -1.653 -0.703 27.762 1.00 63.44 H new ATOM 0 HA GLN A 96 -2.142 -1.004 30.600 1.00 75.12 H new ATOM 0 HB2 GLN A 96 -4.464 -0.357 29.907 1.00 25.11 H new ATOM 0 HB3 GLN A 96 -3.235 0.802 29.441 1.00 25.11 H new ATOM 0 HG2 GLN A 96 -3.261 0.006 27.144 1.00 45.31 H new ATOM 0 HG3 GLN A 96 -4.322 -1.323 27.566 1.00 45.31 H new ATOM 0 HE21 GLN A 96 -4.293 2.224 28.238 1.00 34.11 H new ATOM 0 HE22 GLN A 96 -5.943 2.512 27.676 1.00 34.11 H new ATOM 1553 N GLU A 97 -3.104 -3.258 28.425 1.00 75.30 N ATOM 1554 CA GLU A 97 -3.634 -4.610 28.287 1.00 11.11 C ATOM 1555 C GLU A 97 -2.619 -5.644 28.767 1.00 51.52 C ATOM 1556 O GLU A 97 -2.984 -6.752 29.160 1.00 65.04 O ATOM 1557 CB GLU A 97 -4.012 -4.888 26.831 1.00 43.54 C ATOM 1558 CG GLU A 97 -5.185 -4.058 26.337 1.00 35.34 C ATOM 1559 CD GLU A 97 -6.523 -4.714 26.620 1.00 20.41 C ATOM 1560 OE1 GLU A 97 -6.883 -4.837 27.810 1.00 54.43 O ATOM 1561 OE2 GLU A 97 -7.209 -5.106 25.653 1.00 42.42 O ATOM 0 H GLU A 97 -2.745 -2.855 27.560 1.00 75.30 H new ATOM 0 HA GLU A 97 -4.527 -4.687 28.907 1.00 11.11 H new ATOM 0 HB2 GLU A 97 -3.147 -4.693 26.197 1.00 43.54 H new ATOM 0 HB3 GLU A 97 -4.255 -5.945 26.723 1.00 43.54 H new ATOM 0 HG2 GLU A 97 -5.157 -3.077 26.812 1.00 35.34 H new ATOM 0 HG3 GLU A 97 -5.084 -3.895 25.264 1.00 35.34 H new ATOM 1568 N PHE A 98 -1.344 -5.272 28.731 1.00 24.42 N ATOM 1569 CA PHE A 98 -0.275 -6.167 29.160 1.00 2.24 C ATOM 1570 C PHE A 98 -0.273 -6.323 30.678 1.00 32.32 C ATOM 1571 O PHE A 98 -0.621 -5.406 31.423 1.00 62.25 O ATOM 1572 CB PHE A 98 1.082 -5.638 28.689 1.00 15.04 C ATOM 1573 CG PHE A 98 1.481 -6.138 27.331 1.00 60.23 C ATOM 1574 CD1 PHE A 98 0.520 -6.483 26.395 1.00 74.24 C ATOM 1575 CD2 PHE A 98 2.818 -6.264 26.990 1.00 41.12 C ATOM 1576 CE1 PHE A 98 0.884 -6.944 25.143 1.00 12.42 C ATOM 1577 CE2 PHE A 98 3.188 -6.723 25.740 1.00 63.11 C ATOM 1578 CZ PHE A 98 2.220 -7.065 24.816 1.00 40.41 C ATOM 0 H PHE A 98 -1.026 -4.358 28.410 1.00 24.42 H new ATOM 0 HA PHE A 98 -0.452 -7.145 28.712 1.00 2.24 H new ATOM 0 HB2 PHE A 98 1.052 -4.549 28.672 1.00 15.04 H new ATOM 0 HB3 PHE A 98 1.846 -5.925 29.412 1.00 15.04 H new ATOM 0 HD1 PHE A 98 -0.526 -6.391 26.646 1.00 74.24 H new ATOM 0 HD2 PHE A 98 3.580 -6.001 27.709 1.00 41.12 H new ATOM 0 HE1 PHE A 98 0.125 -7.209 24.422 1.00 12.42 H new ATOM 0 HE2 PHE A 98 4.234 -6.814 25.486 1.00 63.11 H new ATOM 0 HZ PHE A 98 2.508 -7.426 23.840 1.00 40.41 H new ATOM 1588 N PRO A 99 0.127 -7.514 31.149 1.00 12.33 N ATOM 1589 CA PRO A 99 0.184 -7.820 32.582 1.00 54.51 C ATOM 1590 C PRO A 99 1.294 -7.055 33.294 1.00 13.54 C ATOM 1591 O PRO A 99 2.184 -6.495 32.655 1.00 42.14 O ATOM 1592 CB PRO A 99 0.466 -9.324 32.612 1.00 1.35 C ATOM 1593 CG PRO A 99 1.148 -9.607 31.319 1.00 60.53 C ATOM 1594 CD PRO A 99 0.555 -8.653 30.320 1.00 41.51 C ATOM 0 HA PRO A 99 -0.733 -7.534 33.097 1.00 54.51 H new ATOM 0 HB2 PRO A 99 1.097 -9.592 33.459 1.00 1.35 H new ATOM 0 HB3 PRO A 99 -0.456 -9.898 32.707 1.00 1.35 H new ATOM 0 HG2 PRO A 99 2.225 -9.461 31.406 1.00 60.53 H new ATOM 0 HG3 PRO A 99 0.990 -10.641 31.013 1.00 60.53 H new ATOM 0 HD2 PRO A 99 1.286 -8.352 29.569 1.00 41.51 H new ATOM 0 HD3 PRO A 99 -0.284 -9.100 29.787 1.00 41.51 H new ATOM 1602 N ARG A 100 1.235 -7.035 34.622 1.00 55.21 N ATOM 1603 CA ARG A 100 2.235 -6.338 35.421 1.00 11.50 C ATOM 1604 C ARG A 100 3.632 -6.886 35.143 1.00 55.42 C ATOM 1605 O ARG A 100 4.632 -6.204 35.364 1.00 43.52 O ATOM 1606 CB ARG A 100 1.911 -6.469 36.910 1.00 22.24 C ATOM 1607 CG ARG A 100 1.994 -7.896 37.428 1.00 42.11 C ATOM 1608 CD ARG A 100 2.066 -7.934 38.946 1.00 24.34 C ATOM 1609 NE ARG A 100 0.841 -7.436 39.565 1.00 3.44 N ATOM 1610 CZ ARG A 100 0.614 -7.466 40.874 1.00 72.32 C ATOM 1611 NH1 ARG A 100 1.524 -7.969 41.697 1.00 51.24 N ATOM 1612 NH2 ARG A 100 -0.526 -6.993 41.362 1.00 61.14 N ATOM 0 H ARG A 100 0.505 -7.494 35.167 1.00 55.21 H new ATOM 0 HA ARG A 100 2.215 -5.284 35.143 1.00 11.50 H new ATOM 0 HB2 ARG A 100 2.599 -5.844 37.479 1.00 22.24 H new ATOM 0 HB3 ARG A 100 0.907 -6.084 37.090 1.00 22.24 H new ATOM 0 HG2 ARG A 100 1.124 -8.458 37.090 1.00 42.11 H new ATOM 0 HG3 ARG A 100 2.873 -8.386 37.009 1.00 42.11 H new ATOM 0 HD2 ARG A 100 2.248 -8.957 39.275 1.00 24.34 H new ATOM 0 HD3 ARG A 100 2.912 -7.335 39.284 1.00 24.34 H new ATOM 0 HE ARG A 100 0.120 -7.044 38.960 1.00 3.44 H new ATOM 0 HH11 ARG A 100 2.401 -8.334 41.326 1.00 51.24 H new ATOM 0 HH12 ARG A 100 1.347 -7.991 42.701 1.00 51.24 H new ATOM 0 HH21 ARG A 100 -1.229 -6.606 40.732 1.00 61.14 H new ATOM 0 HH22 ARG A 100 -0.699 -7.016 42.367 1.00 61.14 H new ATOM 1626 N ASP A 101 3.691 -8.121 34.658 1.00 53.25 N ATOM 1627 CA ASP A 101 4.964 -8.761 34.348 1.00 2.35 C ATOM 1628 C ASP A 101 5.554 -8.201 33.058 1.00 64.11 C ATOM 1629 O ASP A 101 6.726 -7.825 33.011 1.00 43.24 O ATOM 1630 CB ASP A 101 4.782 -10.274 34.226 1.00 23.44 C ATOM 1631 CG ASP A 101 6.038 -10.971 33.740 1.00 52.02 C ATOM 1632 OD1 ASP A 101 6.238 -11.041 32.509 1.00 34.53 O ATOM 1633 OD2 ASP A 101 6.820 -11.446 34.589 1.00 22.54 O ATOM 0 H ASP A 101 2.872 -8.699 34.471 1.00 53.25 H new ATOM 0 HA ASP A 101 5.656 -8.551 35.163 1.00 2.35 H new ATOM 0 HB2 ASP A 101 4.496 -10.682 35.195 1.00 23.44 H new ATOM 0 HB3 ASP A 101 3.964 -10.484 33.537 1.00 23.44 H new ATOM 1638 N LEU A 102 4.736 -8.150 32.013 1.00 61.03 N ATOM 1639 CA LEU A 102 5.177 -7.637 30.720 1.00 21.21 C ATOM 1640 C LEU A 102 5.398 -6.129 30.779 1.00 32.11 C ATOM 1641 O LEU A 102 6.199 -5.578 30.024 1.00 2.23 O ATOM 1642 CB LEU A 102 4.148 -7.972 29.639 1.00 42.33 C ATOM 1643 CG LEU A 102 4.008 -9.452 29.281 1.00 54.32 C ATOM 1644 CD1 LEU A 102 3.008 -9.635 28.150 1.00 53.44 C ATOM 1645 CD2 LEU A 102 5.359 -10.039 28.901 1.00 71.31 C ATOM 0 H LEU A 102 3.764 -8.457 32.035 1.00 61.03 H new ATOM 0 HA LEU A 102 6.125 -8.114 30.471 1.00 21.21 H new ATOM 0 HB2 LEU A 102 3.175 -7.604 29.965 1.00 42.33 H new ATOM 0 HB3 LEU A 102 4.409 -7.423 28.734 1.00 42.33 H new ATOM 0 HG LEU A 102 3.637 -9.984 30.157 1.00 54.32 H new ATOM 0 HD11 LEU A 102 2.921 -10.694 27.909 1.00 53.44 H new ATOM 0 HD12 LEU A 102 2.035 -9.253 28.459 1.00 53.44 H new ATOM 0 HD13 LEU A 102 3.350 -9.089 27.270 1.00 53.44 H new ATOM 0 HD21 LEU A 102 5.240 -11.093 28.649 1.00 71.31 H new ATOM 0 HD22 LEU A 102 5.759 -9.503 28.040 1.00 71.31 H new ATOM 0 HD23 LEU A 102 6.047 -9.942 29.741 1.00 71.31 H new ATOM 1657 N LYS A 103 4.683 -5.467 31.682 1.00 0.33 N ATOM 1658 CA LYS A 103 4.802 -4.023 31.844 1.00 42.52 C ATOM 1659 C LYS A 103 6.262 -3.612 32.004 1.00 44.41 C ATOM 1660 O LYS A 103 6.702 -2.609 31.440 1.00 73.44 O ATOM 1661 CB LYS A 103 3.994 -3.556 33.057 1.00 50.24 C ATOM 1662 CG LYS A 103 2.503 -3.449 32.789 1.00 13.02 C ATOM 1663 CD LYS A 103 1.931 -2.148 33.327 1.00 4.14 C ATOM 1664 CE LYS A 103 0.418 -2.218 33.464 1.00 2.13 C ATOM 1665 NZ LYS A 103 0.001 -3.184 34.518 1.00 53.02 N ATOM 0 H LYS A 103 4.014 -5.908 32.313 1.00 0.33 H new ATOM 0 HA LYS A 103 4.405 -3.548 30.947 1.00 42.52 H new ATOM 0 HB2 LYS A 103 4.158 -4.250 33.881 1.00 50.24 H new ATOM 0 HB3 LYS A 103 4.367 -2.584 33.380 1.00 50.24 H new ATOM 0 HG2 LYS A 103 2.320 -3.512 31.716 1.00 13.02 H new ATOM 0 HG3 LYS A 103 1.988 -4.292 33.250 1.00 13.02 H new ATOM 0 HD2 LYS A 103 2.375 -1.928 34.298 1.00 4.14 H new ATOM 0 HD3 LYS A 103 2.199 -1.328 32.660 1.00 4.14 H new ATOM 0 HE2 LYS A 103 0.029 -1.228 33.704 1.00 2.13 H new ATOM 0 HE3 LYS A 103 -0.020 -2.510 32.510 1.00 2.13 H new ATOM 0 HZ1 LYS A 103 -0.965 -2.960 34.832 1.00 53.02 H new ATOM 0 HZ2 LYS A 103 0.024 -4.150 34.133 1.00 53.02 H new ATOM 0 HZ3 LYS A 103 0.652 -3.118 35.326 1.00 53.02 H new ATOM 1679 N LYS A 104 7.011 -4.393 32.776 1.00 52.54 N ATOM 1680 CA LYS A 104 8.423 -4.112 33.008 1.00 34.23 C ATOM 1681 C LYS A 104 9.240 -4.348 31.742 1.00 30.02 C ATOM 1682 O LYS A 104 10.104 -3.545 31.390 1.00 52.34 O ATOM 1683 CB LYS A 104 8.957 -4.988 34.144 1.00 43.03 C ATOM 1684 CG LYS A 104 8.433 -4.594 35.514 1.00 62.31 C ATOM 1685 CD LYS A 104 8.704 -5.676 36.546 1.00 1.34 C ATOM 1686 CE LYS A 104 10.085 -5.521 37.166 1.00 74.51 C ATOM 1687 NZ LYS A 104 10.063 -4.622 38.352 1.00 12.24 N ATOM 0 H LYS A 104 6.663 -5.226 33.252 1.00 52.54 H new ATOM 0 HA LYS A 104 8.518 -3.063 33.290 1.00 34.23 H new ATOM 0 HB2 LYS A 104 8.690 -6.026 33.947 1.00 43.03 H new ATOM 0 HB3 LYS A 104 10.046 -4.935 34.152 1.00 43.03 H new ATOM 0 HG2 LYS A 104 8.902 -3.662 35.830 1.00 62.31 H new ATOM 0 HG3 LYS A 104 7.361 -4.407 35.455 1.00 62.31 H new ATOM 0 HD2 LYS A 104 7.946 -5.633 37.328 1.00 1.34 H new ATOM 0 HD3 LYS A 104 8.622 -6.657 36.077 1.00 1.34 H new ATOM 0 HE2 LYS A 104 10.463 -6.500 37.460 1.00 74.51 H new ATOM 0 HE3 LYS A 104 10.775 -5.123 36.422 1.00 74.51 H new ATOM 0 HZ1 LYS A 104 11.022 -4.543 38.745 1.00 12.24 H new ATOM 0 HZ2 LYS A 104 9.726 -3.680 38.067 1.00 12.24 H new ATOM 0 HZ3 LYS A 104 9.425 -5.014 39.073 1.00 12.24 H new ATOM 1701 N LYS A 105 8.961 -5.454 31.061 1.00 60.12 N ATOM 1702 CA LYS A 105 9.668 -5.795 29.832 1.00 71.11 C ATOM 1703 C LYS A 105 9.486 -4.706 28.779 1.00 34.24 C ATOM 1704 O LYS A 105 10.418 -4.376 28.046 1.00 50.45 O ATOM 1705 CB LYS A 105 9.168 -7.135 29.287 1.00 42.12 C ATOM 1706 CG LYS A 105 9.137 -8.241 30.327 1.00 33.12 C ATOM 1707 CD LYS A 105 9.775 -9.517 29.804 1.00 72.01 C ATOM 1708 CE LYS A 105 11.234 -9.622 30.220 1.00 41.53 C ATOM 1709 NZ LYS A 105 11.486 -10.823 31.063 1.00 11.54 N ATOM 0 H LYS A 105 8.250 -6.130 31.339 1.00 60.12 H new ATOM 0 HA LYS A 105 10.730 -5.877 30.064 1.00 71.11 H new ATOM 0 HB2 LYS A 105 8.165 -7.001 28.881 1.00 42.12 H new ATOM 0 HB3 LYS A 105 9.808 -7.443 28.460 1.00 42.12 H new ATOM 0 HG2 LYS A 105 9.661 -7.912 31.224 1.00 33.12 H new ATOM 0 HG3 LYS A 105 8.105 -8.441 30.616 1.00 33.12 H new ATOM 0 HD2 LYS A 105 9.226 -10.380 30.180 1.00 72.01 H new ATOM 0 HD3 LYS A 105 9.703 -9.542 28.717 1.00 72.01 H new ATOM 0 HE2 LYS A 105 11.863 -9.664 29.331 1.00 41.53 H new ATOM 0 HE3 LYS A 105 11.520 -8.726 30.770 1.00 41.53 H new ATOM 0 HZ1 LYS A 105 12.492 -10.858 31.325 1.00 11.54 H new ATOM 0 HZ2 LYS A 105 10.905 -10.771 31.924 1.00 11.54 H new ATOM 0 HZ3 LYS A 105 11.237 -11.680 30.529 1.00 11.54 H new ATOM 1723 N LEU A 106 8.281 -4.151 28.712 1.00 74.35 N ATOM 1724 CA LEU A 106 7.976 -3.098 27.749 1.00 5.34 C ATOM 1725 C LEU A 106 8.496 -1.749 28.236 1.00 3.04 C ATOM 1726 O LEU A 106 9.085 -0.986 27.470 1.00 12.14 O ATOM 1727 CB LEU A 106 6.468 -3.019 27.509 1.00 32.22 C ATOM 1728 CG LEU A 106 5.989 -1.875 26.615 1.00 2.44 C ATOM 1729 CD1 LEU A 106 4.764 -2.296 25.819 1.00 13.43 C ATOM 1730 CD2 LEU A 106 5.687 -0.638 27.449 1.00 41.33 C ATOM 0 H LEU A 106 7.499 -4.412 29.313 1.00 74.35 H new ATOM 0 HA LEU A 106 8.474 -3.343 26.811 1.00 5.34 H new ATOM 0 HB2 LEU A 106 6.141 -3.960 27.067 1.00 32.22 H new ATOM 0 HB3 LEU A 106 5.971 -2.931 28.475 1.00 32.22 H new ATOM 0 HG LEU A 106 6.786 -1.630 25.913 1.00 2.44 H new ATOM 0 HD11 LEU A 106 4.438 -1.469 25.189 1.00 13.43 H new ATOM 0 HD12 LEU A 106 5.014 -3.153 25.193 1.00 13.43 H new ATOM 0 HD13 LEU A 106 3.961 -2.569 26.504 1.00 13.43 H new ATOM 0 HD21 LEU A 106 5.347 0.167 26.797 1.00 41.33 H new ATOM 0 HD22 LEU A 106 4.908 -0.870 28.175 1.00 41.33 H new ATOM 0 HD23 LEU A 106 6.589 -0.323 27.973 1.00 41.33 H new ATOM 1742 N SER A 107 8.277 -1.463 29.516 1.00 54.23 N ATOM 1743 CA SER A 107 8.721 -0.205 30.105 1.00 24.30 C ATOM 1744 C SER A 107 10.208 0.021 29.845 1.00 74.04 C ATOM 1745 O SER A 107 10.626 1.123 29.490 1.00 50.04 O ATOM 1746 CB SER A 107 8.449 -0.199 31.610 1.00 0.45 C ATOM 1747 OG SER A 107 9.105 0.887 32.243 1.00 71.14 O ATOM 0 H SER A 107 7.795 -2.085 30.165 1.00 54.23 H new ATOM 0 HA SER A 107 8.160 0.605 29.638 1.00 24.30 H new ATOM 0 HB2 SER A 107 7.376 -0.133 31.788 1.00 0.45 H new ATOM 0 HB3 SER A 107 8.788 -1.138 32.048 1.00 0.45 H new ATOM 0 HG SER A 107 8.914 0.869 33.204 1.00 71.14 H new ATOM 1753 N ARG A 108 11.000 -1.031 30.024 1.00 41.30 N ATOM 1754 CA ARG A 108 12.440 -0.948 29.810 1.00 12.30 C ATOM 1755 C ARG A 108 12.758 -0.720 28.335 1.00 1.32 C ATOM 1756 O ARG A 108 13.796 -0.153 27.994 1.00 41.33 O ATOM 1757 CB ARG A 108 13.124 -2.226 30.299 1.00 40.23 C ATOM 1758 CG ARG A 108 12.742 -3.463 29.504 1.00 72.45 C ATOM 1759 CD ARG A 108 13.724 -4.601 29.737 1.00 13.11 C ATOM 1760 NE ARG A 108 13.962 -4.835 31.159 1.00 74.21 N ATOM 1761 CZ ARG A 108 14.893 -5.661 31.622 1.00 62.33 C ATOM 1762 NH1 ARG A 108 15.671 -6.328 30.780 1.00 55.15 N ATOM 1763 NH2 ARG A 108 15.049 -5.822 32.930 1.00 40.43 N ATOM 0 H ARG A 108 10.669 -1.950 30.317 1.00 41.30 H new ATOM 0 HA ARG A 108 12.819 -0.100 30.381 1.00 12.30 H new ATOM 0 HB2 ARG A 108 14.205 -2.092 30.249 1.00 40.23 H new ATOM 0 HB3 ARG A 108 12.871 -2.385 31.347 1.00 40.23 H new ATOM 0 HG2 ARG A 108 11.739 -3.783 29.787 1.00 72.45 H new ATOM 0 HG3 ARG A 108 12.711 -3.219 28.442 1.00 72.45 H new ATOM 0 HD2 ARG A 108 13.339 -5.512 29.279 1.00 13.11 H new ATOM 0 HD3 ARG A 108 14.669 -4.371 29.244 1.00 13.11 H new ATOM 0 HE ARG A 108 13.381 -4.337 31.833 1.00 74.21 H new ATOM 0 HH11 ARG A 108 15.555 -6.207 29.774 1.00 55.15 H new ATOM 0 HH12 ARG A 108 16.385 -6.962 31.139 1.00 55.15 H new ATOM 0 HH21 ARG A 108 14.453 -5.311 33.581 1.00 40.43 H new ATOM 0 HH22 ARG A 108 15.765 -6.457 33.284 1.00 40.43 H new ATOM 1777 N VAL A 109 11.858 -1.166 27.465 1.00 52.11 N ATOM 1778 CA VAL A 109 12.042 -1.010 26.027 1.00 71.20 C ATOM 1779 C VAL A 109 11.747 0.419 25.587 1.00 50.32 C ATOM 1780 O VAL A 109 12.416 0.960 24.706 1.00 72.44 O ATOM 1781 CB VAL A 109 11.138 -1.976 25.238 1.00 52.44 C ATOM 1782 CG1 VAL A 109 11.239 -1.702 23.745 1.00 62.22 C ATOM 1783 CG2 VAL A 109 11.501 -3.420 25.549 1.00 13.44 C ATOM 0 H VAL A 109 10.994 -1.638 27.731 1.00 52.11 H new ATOM 0 HA VAL A 109 13.085 -1.244 25.814 1.00 71.20 H new ATOM 0 HB VAL A 109 10.105 -1.811 25.545 1.00 52.44 H new ATOM 0 HG11 VAL A 109 10.594 -2.394 23.204 1.00 62.22 H new ATOM 0 HG12 VAL A 109 10.925 -0.678 23.541 1.00 62.22 H new ATOM 0 HG13 VAL A 109 12.270 -1.837 23.419 1.00 62.22 H new ATOM 0 HG21 VAL A 109 10.852 -4.088 24.983 1.00 13.44 H new ATOM 0 HG22 VAL A 109 12.539 -3.602 25.272 1.00 13.44 H new ATOM 0 HG23 VAL A 109 11.372 -3.606 26.615 1.00 13.44 H new ATOM 1793 N VAL A 110 10.741 1.028 26.207 1.00 71.03 N ATOM 1794 CA VAL A 110 10.358 2.396 25.880 1.00 14.33 C ATOM 1795 C VAL A 110 11.498 3.368 26.162 1.00 14.53 C ATOM 1796 O VAL A 110 11.681 4.350 25.444 1.00 4.22 O ATOM 1797 CB VAL A 110 9.114 2.836 26.676 1.00 61.21 C ATOM 1798 CG1 VAL A 110 8.754 4.277 26.350 1.00 15.23 C ATOM 1799 CG2 VAL A 110 7.944 1.907 26.390 1.00 14.11 C ATOM 0 H VAL A 110 10.177 0.595 26.938 1.00 71.03 H new ATOM 0 HA VAL A 110 10.124 2.414 24.816 1.00 14.33 H new ATOM 0 HB VAL A 110 9.344 2.777 27.740 1.00 61.21 H new ATOM 0 HG11 VAL A 110 7.873 4.570 26.921 1.00 15.23 H new ATOM 0 HG12 VAL A 110 9.588 4.928 26.610 1.00 15.23 H new ATOM 0 HG13 VAL A 110 8.542 4.367 25.285 1.00 15.23 H new ATOM 0 HG21 VAL A 110 7.074 2.232 26.960 1.00 14.11 H new ATOM 0 HG22 VAL A 110 7.711 1.933 25.326 1.00 14.11 H new ATOM 0 HG23 VAL A 110 8.208 0.890 26.679 1.00 14.11 H new ATOM 1809 N ASN A 111 12.261 3.088 27.213 1.00 22.52 N ATOM 1810 CA ASN A 111 13.385 3.938 27.591 1.00 75.41 C ATOM 1811 C ASN A 111 14.488 3.880 26.539 1.00 51.22 C ATOM 1812 O ASN A 111 15.184 4.868 26.300 1.00 30.45 O ATOM 1813 CB ASN A 111 13.939 3.511 28.952 1.00 61.25 C ATOM 1814 CG ASN A 111 13.280 4.247 30.101 1.00 14.54 C ATOM 1815 OD1 ASN A 111 13.746 5.305 30.525 1.00 44.01 O ATOM 1816 ND2 ASN A 111 12.188 3.690 30.613 1.00 62.12 N ATOM 0 H ASN A 111 12.122 2.279 27.819 1.00 22.52 H new ATOM 0 HA ASN A 111 13.026 4.965 27.659 1.00 75.41 H new ATOM 0 HB2 ASN A 111 13.793 2.438 29.080 1.00 61.25 H new ATOM 0 HB3 ASN A 111 15.014 3.692 28.977 1.00 61.25 H new ATOM 0 HD21 ASN A 111 11.701 4.140 31.388 1.00 62.12 H new ATOM 0 HD22 ASN A 111 11.836 2.812 30.231 1.00 62.12 H new ATOM 1823 N ILE A 112 14.641 2.718 25.913 1.00 52.34 N ATOM 1824 CA ILE A 112 15.658 2.533 24.885 1.00 31.11 C ATOM 1825 C ILE A 112 15.568 3.620 23.820 1.00 53.32 C ATOM 1826 O ILE A 112 16.583 4.058 23.276 1.00 74.20 O ATOM 1827 CB ILE A 112 15.530 1.155 24.209 1.00 42.34 C ATOM 1828 CG1 ILE A 112 15.660 0.039 25.247 1.00 61.11 C ATOM 1829 CG2 ILE A 112 16.583 1.000 23.121 1.00 34.41 C ATOM 1830 CD1 ILE A 112 15.516 -1.349 24.663 1.00 20.00 C ATOM 0 H ILE A 112 14.074 1.891 26.100 1.00 52.34 H new ATOM 0 HA ILE A 112 16.625 2.596 25.383 1.00 31.11 H new ATOM 0 HB ILE A 112 14.545 1.083 23.748 1.00 42.34 H new ATOM 0 HG12 ILE A 112 16.631 0.120 25.736 1.00 61.11 H new ATOM 0 HG13 ILE A 112 14.902 0.181 26.018 1.00 61.11 H new ATOM 0 HG21 ILE A 112 16.480 0.021 22.652 1.00 34.41 H new ATOM 0 HG22 ILE A 112 16.447 1.778 22.370 1.00 34.41 H new ATOM 0 HG23 ILE A 112 17.576 1.089 23.561 1.00 34.41 H new ATOM 0 HD11 ILE A 112 15.619 -2.090 25.456 1.00 20.00 H new ATOM 0 HD12 ILE A 112 14.535 -1.448 24.199 1.00 20.00 H new ATOM 0 HD13 ILE A 112 16.290 -1.510 23.913 1.00 20.00 H new ATOM 1842 N LEU A 113 14.347 4.054 23.527 1.00 33.01 N ATOM 1843 CA LEU A 113 14.123 5.093 22.528 1.00 72.34 C ATOM 1844 C LEU A 113 14.857 6.376 22.902 1.00 10.23 C ATOM 1845 O LEU A 113 15.317 7.117 22.034 1.00 44.43 O ATOM 1846 CB LEU A 113 12.626 5.372 22.380 1.00 2.22 C ATOM 1847 CG LEU A 113 11.824 4.337 21.591 1.00 25.51 C ATOM 1848 CD1 LEU A 113 12.426 4.136 20.209 1.00 62.21 C ATOM 1849 CD2 LEU A 113 11.768 3.017 22.347 1.00 51.00 C ATOM 0 H LEU A 113 13.497 3.702 23.967 1.00 33.01 H new ATOM 0 HA LEU A 113 14.516 4.737 21.576 1.00 72.34 H new ATOM 0 HB2 LEU A 113 12.192 5.455 23.377 1.00 2.22 H new ATOM 0 HB3 LEU A 113 12.504 6.342 21.897 1.00 2.22 H new ATOM 0 HG LEU A 113 10.806 4.708 21.471 1.00 25.51 H new ATOM 0 HD11 LEU A 113 11.842 3.396 19.662 1.00 62.21 H new ATOM 0 HD12 LEU A 113 12.414 5.081 19.666 1.00 62.21 H new ATOM 0 HD13 LEU A 113 13.454 3.787 20.307 1.00 62.21 H new ATOM 0 HD21 LEU A 113 11.193 2.292 21.771 1.00 51.00 H new ATOM 0 HD22 LEU A 113 12.780 2.641 22.498 1.00 51.00 H new ATOM 0 HD23 LEU A 113 11.291 3.172 23.315 1.00 51.00 H new ATOM 1861 N LYS A 114 14.965 6.632 24.202 1.00 54.23 N ATOM 1862 CA LYS A 114 15.646 7.824 24.693 1.00 31.13 C ATOM 1863 C LYS A 114 17.145 7.744 24.424 1.00 21.30 C ATOM 1864 O LYS A 114 17.803 8.763 24.221 1.00 3.33 O ATOM 1865 CB LYS A 114 15.395 7.998 26.193 1.00 71.11 C ATOM 1866 CG LYS A 114 13.942 7.806 26.593 1.00 41.33 C ATOM 1867 CD LYS A 114 13.583 8.645 27.808 1.00 71.03 C ATOM 1868 CE LYS A 114 12.302 8.155 28.464 1.00 35.33 C ATOM 1869 NZ LYS A 114 11.139 8.228 27.536 1.00 65.20 N ATOM 0 H LYS A 114 14.589 6.029 24.934 1.00 54.23 H new ATOM 0 HA LYS A 114 15.245 8.686 24.161 1.00 31.13 H new ATOM 0 HB2 LYS A 114 16.011 7.285 26.741 1.00 71.11 H new ATOM 0 HB3 LYS A 114 15.717 8.995 26.494 1.00 71.11 H new ATOM 0 HG2 LYS A 114 13.295 8.077 25.759 1.00 41.33 H new ATOM 0 HG3 LYS A 114 13.759 6.753 26.810 1.00 41.33 H new ATOM 0 HD2 LYS A 114 14.399 8.610 28.530 1.00 71.03 H new ATOM 0 HD3 LYS A 114 13.465 9.687 27.510 1.00 71.03 H new ATOM 0 HE2 LYS A 114 12.436 7.126 28.798 1.00 35.33 H new ATOM 0 HE3 LYS A 114 12.097 8.754 29.351 1.00 35.33 H new ATOM 0 HZ1 LYS A 114 10.313 8.603 28.044 1.00 65.20 H new ATOM 0 HZ2 LYS A 114 11.370 8.855 26.739 1.00 65.20 H new ATOM 0 HZ3 LYS A 114 10.922 7.277 27.176 1.00 65.20 H new ATOM 1883 N GLU A 115 17.677 6.525 24.422 1.00 2.43 N ATOM 1884 CA GLU A 115 19.099 6.314 24.177 1.00 70.11 C ATOM 1885 C GLU A 115 19.427 6.485 22.696 1.00 32.44 C ATOM 1886 O GLU A 115 20.335 7.232 22.333 1.00 11.30 O ATOM 1887 CB GLU A 115 19.518 4.919 24.646 1.00 42.11 C ATOM 1888 CG GLU A 115 20.826 4.440 24.038 1.00 74.12 C ATOM 1889 CD GLU A 115 21.681 3.671 25.026 1.00 44.31 C ATOM 1890 OE1 GLU A 115 21.187 2.672 25.588 1.00 0.13 O ATOM 1891 OE2 GLU A 115 22.846 4.070 25.236 1.00 23.42 O ATOM 0 H GLU A 115 17.145 5.670 24.587 1.00 2.43 H new ATOM 0 HA GLU A 115 19.654 7.062 24.743 1.00 70.11 H new ATOM 0 HB2 GLU A 115 19.612 4.923 25.732 1.00 42.11 H new ATOM 0 HB3 GLU A 115 18.730 4.209 24.397 1.00 42.11 H new ATOM 0 HG2 GLU A 115 20.612 3.806 23.178 1.00 74.12 H new ATOM 0 HG3 GLU A 115 21.387 5.299 23.669 1.00 74.12 H new ATOM 1898 N ARG A 116 18.681 5.785 21.847 1.00 43.41 N ATOM 1899 CA ARG A 116 18.893 5.857 20.406 1.00 3.53 C ATOM 1900 C ARG A 116 18.412 7.195 19.852 1.00 11.32 C ATOM 1901 O ARG A 116 18.775 7.586 18.743 1.00 35.44 O ATOM 1902 CB ARG A 116 18.164 4.710 19.704 1.00 2.50 C ATOM 1903 CG ARG A 116 18.404 3.353 20.345 1.00 11.41 C ATOM 1904 CD ARG A 116 19.888 3.040 20.448 1.00 4.31 C ATOM 1905 NE ARG A 116 20.129 1.682 20.928 1.00 4.34 N ATOM 1906 CZ ARG A 116 21.273 1.031 20.747 1.00 75.52 C ATOM 1907 NH1 ARG A 116 22.274 1.610 20.100 1.00 62.25 N ATOM 1908 NH2 ARG A 116 21.416 -0.203 21.214 1.00 74.23 N ATOM 0 H ARG A 116 17.925 5.162 22.132 1.00 43.41 H new ATOM 0 HA ARG A 116 19.963 5.768 20.216 1.00 3.53 H new ATOM 0 HB2 ARG A 116 17.094 4.918 19.703 1.00 2.50 H new ATOM 0 HB3 ARG A 116 18.483 4.672 18.662 1.00 2.50 H new ATOM 0 HG2 ARG A 116 17.957 3.335 21.339 1.00 11.41 H new ATOM 0 HG3 ARG A 116 17.908 2.580 19.759 1.00 11.41 H new ATOM 0 HD2 ARG A 116 20.354 3.167 19.471 1.00 4.31 H new ATOM 0 HD3 ARG A 116 20.363 3.752 21.123 1.00 4.31 H new ATOM 0 HE ARG A 116 19.378 1.207 21.430 1.00 4.34 H new ATOM 0 HH11 ARG A 116 22.168 2.558 19.739 1.00 62.25 H new ATOM 0 HH12 ARG A 116 23.151 1.108 19.963 1.00 62.25 H new ATOM 0 HH21 ARG A 116 20.647 -0.652 21.712 1.00 74.23 H new ATOM 0 HH22 ARG A 116 22.294 -0.702 21.075 1.00 74.23 H new ATOM 1922 N ASN A 117 17.592 7.893 20.632 1.00 24.45 N ATOM 1923 CA ASN A 117 17.060 9.186 20.219 1.00 3.24 C ATOM 1924 C ASN A 117 16.242 9.054 18.939 1.00 72.23 C ATOM 1925 O ASN A 117 16.405 9.837 18.002 1.00 34.15 O ATOM 1926 CB ASN A 117 18.199 10.186 20.009 1.00 22.10 C ATOM 1927 CG ASN A 117 19.133 10.258 21.202 1.00 61.13 C ATOM 1928 OD1 ASN A 117 18.697 10.463 22.334 1.00 34.14 O ATOM 1929 ND2 ASN A 117 20.426 10.089 20.951 1.00 3.34 N ATOM 0 H ASN A 117 17.282 7.584 21.553 1.00 24.45 H new ATOM 0 HA ASN A 117 16.406 9.551 21.011 1.00 3.24 H new ATOM 0 HB2 ASN A 117 18.767 9.904 19.123 1.00 22.10 H new ATOM 0 HB3 ASN A 117 17.781 11.174 19.818 1.00 22.10 H new ATOM 0 HD21 ASN A 117 21.103 10.127 21.713 1.00 3.34 H new ATOM 0 HD22 ASN A 117 20.742 9.921 19.996 1.00 3.34 H new ATOM 1936 N ILE A 118 15.362 8.059 18.906 1.00 71.23 N ATOM 1937 CA ILE A 118 14.517 7.825 17.741 1.00 11.22 C ATOM 1938 C ILE A 118 13.464 8.919 17.597 1.00 3.15 C ATOM 1939 O ILE A 118 13.519 9.730 16.673 1.00 13.40 O ATOM 1940 CB ILE A 118 13.813 6.458 17.822 1.00 74.02 C ATOM 1941 CG1 ILE A 118 14.829 5.353 18.116 1.00 31.22 C ATOM 1942 CG2 ILE A 118 13.068 6.169 16.527 1.00 35.22 C ATOM 1943 CD1 ILE A 118 15.823 5.132 16.997 1.00 35.13 C ATOM 0 H ILE A 118 15.215 7.402 19.672 1.00 71.23 H new ATOM 0 HA ILE A 118 15.171 7.837 16.869 1.00 11.22 H new ATOM 0 HB ILE A 118 13.089 6.486 18.637 1.00 74.02 H new ATOM 0 HG12 ILE A 118 15.371 5.602 19.028 1.00 31.22 H new ATOM 0 HG13 ILE A 118 14.296 4.422 18.306 1.00 31.22 H new ATOM 0 HG21 ILE A 118 12.575 5.199 16.599 1.00 35.22 H new ATOM 0 HG22 ILE A 118 12.321 6.944 16.356 1.00 35.22 H new ATOM 0 HG23 ILE A 118 13.774 6.156 15.696 1.00 35.22 H new ATOM 0 HD11 ILE A 118 16.512 4.335 17.275 1.00 35.13 H new ATOM 0 HD12 ILE A 118 15.291 4.852 16.088 1.00 35.13 H new ATOM 0 HD13 ILE A 118 16.383 6.050 16.821 1.00 35.13 H new ATOM 1955 N PHE A 119 12.507 8.936 18.519 1.00 2.32 N ATOM 1956 CA PHE A 119 11.442 9.932 18.496 1.00 35.53 C ATOM 1957 C PHE A 119 11.834 11.167 19.301 1.00 34.04 C ATOM 1958 O PHE A 119 12.777 11.133 20.091 1.00 20.43 O ATOM 1959 CB PHE A 119 10.147 9.336 19.053 1.00 74.02 C ATOM 1960 CG PHE A 119 9.863 7.948 18.555 1.00 30.52 C ATOM 1961 CD1 PHE A 119 9.555 7.724 17.223 1.00 50.42 C ATOM 1962 CD2 PHE A 119 9.905 6.865 19.420 1.00 52.55 C ATOM 1963 CE1 PHE A 119 9.293 6.448 16.763 1.00 72.24 C ATOM 1964 CE2 PHE A 119 9.644 5.586 18.965 1.00 51.50 C ATOM 1965 CZ PHE A 119 9.339 5.377 17.634 1.00 15.44 C ATOM 0 H PHE A 119 12.447 8.272 19.291 1.00 2.32 H new ATOM 0 HA PHE A 119 11.281 10.232 17.461 1.00 35.53 H new ATOM 0 HB2 PHE A 119 10.203 9.318 20.141 1.00 74.02 H new ATOM 0 HB3 PHE A 119 9.314 9.986 18.787 1.00 74.02 H new ATOM 0 HD1 PHE A 119 9.519 8.557 16.536 1.00 50.42 H new ATOM 0 HD2 PHE A 119 10.144 7.023 20.461 1.00 52.55 H new ATOM 0 HE1 PHE A 119 9.052 6.288 15.722 1.00 72.24 H new ATOM 0 HE2 PHE A 119 9.679 4.751 19.649 1.00 51.50 H new ATOM 0 HZ PHE A 119 9.137 4.379 17.275 1.00 15.44 H new ATOM 1975 N SER A 120 11.102 12.258 19.094 1.00 25.53 N ATOM 1976 CA SER A 120 11.376 13.506 19.797 1.00 74.22 C ATOM 1977 C SER A 120 10.522 13.618 21.056 1.00 0.34 C ATOM 1978 O SER A 120 9.719 12.735 21.358 1.00 62.11 O ATOM 1979 CB SER A 120 11.111 14.701 18.879 1.00 34.30 C ATOM 1980 OG SER A 120 12.253 15.008 18.099 1.00 60.22 O ATOM 0 H SER A 120 10.316 12.303 18.446 1.00 25.53 H new ATOM 0 HA SER A 120 12.426 13.507 20.090 1.00 74.22 H new ATOM 0 HB2 SER A 120 10.268 14.481 18.224 1.00 34.30 H new ATOM 0 HB3 SER A 120 10.832 15.568 19.477 1.00 34.30 H new ATOM 0 HG SER A 120 12.057 15.774 17.520 1.00 60.22 H new ATOM 1986 N LYS A 121 10.701 14.712 21.789 1.00 5.02 N ATOM 1987 CA LYS A 121 9.948 14.944 23.016 1.00 24.41 C ATOM 1988 C LYS A 121 8.453 15.028 22.729 1.00 72.32 C ATOM 1989 O LYS A 121 7.629 14.692 23.579 1.00 21.32 O ATOM 1990 CB LYS A 121 10.422 16.232 23.694 1.00 74.52 C ATOM 1991 CG LYS A 121 10.312 16.197 25.208 1.00 2.44 C ATOM 1992 CD LYS A 121 11.574 15.641 25.846 1.00 2.32 C ATOM 1993 CE LYS A 121 11.289 15.042 27.215 1.00 5.30 C ATOM 1994 NZ LYS A 121 11.301 16.076 28.286 1.00 10.54 N ATOM 0 H LYS A 121 11.362 15.453 21.554 1.00 5.02 H new ATOM 0 HA LYS A 121 10.124 14.102 23.686 1.00 24.41 H new ATOM 0 HB2 LYS A 121 11.460 16.418 23.418 1.00 74.52 H new ATOM 0 HB3 LYS A 121 9.836 17.069 23.315 1.00 74.52 H new ATOM 0 HG2 LYS A 121 10.126 17.203 25.584 1.00 2.44 H new ATOM 0 HG3 LYS A 121 9.457 15.586 25.498 1.00 2.44 H new ATOM 0 HD2 LYS A 121 12.006 14.879 25.197 1.00 2.32 H new ATOM 0 HD3 LYS A 121 12.315 16.435 25.942 1.00 2.32 H new ATOM 0 HE2 LYS A 121 10.318 14.546 27.200 1.00 5.30 H new ATOM 0 HE3 LYS A 121 12.033 14.278 27.439 1.00 5.30 H new ATOM 0 HZ1 LYS A 121 11.103 15.628 29.203 1.00 10.54 H new ATOM 0 HZ2 LYS A 121 12.235 16.532 28.318 1.00 10.54 H new ATOM 0 HZ3 LYS A 121 10.573 16.792 28.086 1.00 10.54 H new ATOM 2008 N GLN A 122 8.110 15.477 21.526 1.00 62.54 N ATOM 2009 CA GLN A 122 6.713 15.603 21.127 1.00 3.33 C ATOM 2010 C GLN A 122 6.022 14.244 21.125 1.00 64.43 C ATOM 2011 O GLN A 122 4.882 14.114 21.569 1.00 12.34 O ATOM 2012 CB GLN A 122 6.612 16.243 19.741 1.00 22.43 C ATOM 2013 CG GLN A 122 6.848 17.744 19.745 1.00 11.44 C ATOM 2014 CD GLN A 122 5.776 18.501 20.504 1.00 54.31 C ATOM 2015 OE1 GLN A 122 6.072 19.269 21.420 1.00 34.33 O ATOM 2016 NE2 GLN A 122 4.521 18.289 20.125 1.00 14.32 N ATOM 0 H GLN A 122 8.780 15.760 20.811 1.00 62.54 H new ATOM 0 HA GLN A 122 6.211 16.243 21.852 1.00 3.33 H new ATOM 0 HB2 GLN A 122 7.338 15.771 19.079 1.00 22.43 H new ATOM 0 HB3 GLN A 122 5.624 16.040 19.328 1.00 22.43 H new ATOM 0 HG2 GLN A 122 7.820 17.954 20.191 1.00 11.44 H new ATOM 0 HG3 GLN A 122 6.884 18.105 18.717 1.00 11.44 H new ATOM 0 HE21 GLN A 122 4.321 17.644 19.361 1.00 14.32 H new ATOM 0 HE22 GLN A 122 3.757 18.771 20.598 1.00 14.32 H new ATOM 2025 N VAL A 123 6.721 13.231 20.620 1.00 11.33 N ATOM 2026 CA VAL A 123 6.175 11.881 20.560 1.00 21.43 C ATOM 2027 C VAL A 123 6.249 11.197 21.921 1.00 41.10 C ATOM 2028 O VAL A 123 5.278 10.596 22.380 1.00 55.23 O ATOM 2029 CB VAL A 123 6.921 11.019 19.524 1.00 2.31 C ATOM 2030 CG1 VAL A 123 6.235 9.672 19.356 1.00 3.02 C ATOM 2031 CG2 VAL A 123 7.014 11.749 18.193 1.00 52.33 C ATOM 0 H VAL A 123 7.666 13.321 20.247 1.00 11.33 H new ATOM 0 HA VAL A 123 5.131 11.975 20.260 1.00 21.43 H new ATOM 0 HB VAL A 123 7.933 10.841 19.887 1.00 2.31 H new ATOM 0 HG11 VAL A 123 6.776 9.077 18.620 1.00 3.02 H new ATOM 0 HG12 VAL A 123 6.225 9.147 20.311 1.00 3.02 H new ATOM 0 HG13 VAL A 123 5.211 9.825 19.016 1.00 3.02 H new ATOM 0 HG21 VAL A 123 7.544 11.126 17.473 1.00 52.33 H new ATOM 0 HG22 VAL A 123 6.011 11.959 17.822 1.00 52.33 H new ATOM 0 HG23 VAL A 123 7.554 12.686 18.329 1.00 52.33 H new ATOM 2041 N VAL A 124 7.409 11.293 22.563 1.00 0.32 N ATOM 2042 CA VAL A 124 7.610 10.686 23.873 1.00 23.31 C ATOM 2043 C VAL A 124 6.568 11.175 24.872 1.00 11.21 C ATOM 2044 O VAL A 124 6.005 10.389 25.632 1.00 35.11 O ATOM 2045 CB VAL A 124 9.016 10.991 24.424 1.00 40.24 C ATOM 2046 CG1 VAL A 124 9.200 10.363 25.797 1.00 62.15 C ATOM 2047 CG2 VAL A 124 10.084 10.502 23.457 1.00 41.41 C ATOM 0 H VAL A 124 8.224 11.785 22.197 1.00 0.32 H new ATOM 0 HA VAL A 124 7.505 9.609 23.741 1.00 23.31 H new ATOM 0 HB VAL A 124 9.120 12.071 24.529 1.00 40.24 H new ATOM 0 HG11 VAL A 124 10.199 10.589 26.170 1.00 62.15 H new ATOM 0 HG12 VAL A 124 8.456 10.766 26.484 1.00 62.15 H new ATOM 0 HG13 VAL A 124 9.077 9.283 25.722 1.00 62.15 H new ATOM 0 HG21 VAL A 124 11.071 10.725 23.862 1.00 41.41 H new ATOM 0 HG22 VAL A 124 9.984 9.426 23.318 1.00 41.41 H new ATOM 0 HG23 VAL A 124 9.963 11.004 22.497 1.00 41.41 H new ATOM 2057 N ASN A 125 6.316 12.480 24.864 1.00 12.22 N ATOM 2058 CA ASN A 125 5.340 13.076 25.770 1.00 23.32 C ATOM 2059 C ASN A 125 3.966 12.440 25.583 1.00 11.45 C ATOM 2060 O ASN A 125 3.150 12.419 26.505 1.00 23.45 O ATOM 2061 CB ASN A 125 5.253 14.585 25.538 1.00 54.42 C ATOM 2062 CG ASN A 125 6.164 15.367 26.465 1.00 74.04 C ATOM 2063 OD1 ASN A 125 5.760 16.375 27.045 1.00 41.12 O ATOM 2064 ND2 ASN A 125 7.400 14.904 26.608 1.00 50.04 N ATOM 0 H ASN A 125 6.774 13.145 24.241 1.00 12.22 H new ATOM 0 HA ASN A 125 5.670 12.892 26.792 1.00 23.32 H new ATOM 0 HB2 ASN A 125 5.516 14.806 24.504 1.00 54.42 H new ATOM 0 HB3 ASN A 125 4.224 14.913 25.683 1.00 54.42 H new ATOM 0 HD21 ASN A 125 8.058 15.388 27.219 1.00 50.04 H new ATOM 0 HD22 ASN A 125 7.691 14.064 26.107 1.00 50.04 H new ATOM 2071 N ASP A 126 3.717 11.924 24.385 1.00 12.11 N ATOM 2072 CA ASP A 126 2.442 11.286 24.077 1.00 10.52 C ATOM 2073 C ASP A 126 2.355 9.906 24.721 1.00 43.12 C ATOM 2074 O ASP A 126 1.342 9.556 25.326 1.00 21.45 O ATOM 2075 CB ASP A 126 2.259 11.169 22.563 1.00 15.32 C ATOM 2076 CG ASP A 126 0.811 10.951 22.171 1.00 55.53 C ATOM 2077 OD1 ASP A 126 0.126 10.156 22.847 1.00 1.03 O ATOM 2078 OD2 ASP A 126 0.362 11.576 21.186 1.00 31.32 O ATOM 0 H ASP A 126 4.381 11.935 23.611 1.00 12.11 H new ATOM 0 HA ASP A 126 1.645 11.908 24.485 1.00 10.52 H new ATOM 0 HB2 ASP A 126 2.630 12.075 22.084 1.00 15.32 H new ATOM 0 HB3 ASP A 126 2.862 10.341 22.190 1.00 15.32 H new ATOM 2083 N ILE A 127 3.423 9.127 24.585 1.00 42.35 N ATOM 2084 CA ILE A 127 3.467 7.786 25.153 1.00 62.22 C ATOM 2085 C ILE A 127 3.191 7.815 26.652 1.00 20.52 C ATOM 2086 O ILE A 127 2.336 7.083 27.149 1.00 32.13 O ATOM 2087 CB ILE A 127 4.831 7.114 24.906 1.00 2.42 C ATOM 2088 CG1 ILE A 127 5.108 7.009 23.405 1.00 22.31 C ATOM 2089 CG2 ILE A 127 4.870 5.739 25.556 1.00 53.14 C ATOM 2090 CD1 ILE A 127 6.578 7.085 23.055 1.00 31.41 C ATOM 0 H ILE A 127 4.269 9.402 24.086 1.00 42.35 H new ATOM 0 HA ILE A 127 2.690 7.206 24.654 1.00 62.22 H new ATOM 0 HB ILE A 127 5.610 7.729 25.357 1.00 2.42 H new ATOM 0 HG12 ILE A 127 4.703 6.068 23.034 1.00 22.31 H new ATOM 0 HG13 ILE A 127 4.578 7.810 22.889 1.00 22.31 H new ATOM 0 HG21 ILE A 127 5.840 5.277 25.372 1.00 53.14 H new ATOM 0 HG22 ILE A 127 4.713 5.840 26.630 1.00 53.14 H new ATOM 0 HG23 ILE A 127 4.084 5.114 25.132 1.00 53.14 H new ATOM 0 HD11 ILE A 127 6.700 7.004 21.975 1.00 31.41 H new ATOM 0 HD12 ILE A 127 6.984 8.037 23.395 1.00 31.41 H new ATOM 0 HD13 ILE A 127 7.111 6.268 23.542 1.00 31.41 H new ATOM 2102 N GLU A 128 3.920 8.666 27.367 1.00 43.14 N ATOM 2103 CA GLU A 128 3.752 8.791 28.810 1.00 64.33 C ATOM 2104 C GLU A 128 2.295 9.070 29.166 1.00 41.02 C ATOM 2105 O GLU A 128 1.707 8.384 30.002 1.00 1.22 O ATOM 2106 CB GLU A 128 4.645 9.907 29.355 1.00 42.42 C ATOM 2107 CG GLU A 128 6.131 9.622 29.214 1.00 50.42 C ATOM 2108 CD GLU A 128 6.640 8.649 30.259 1.00 70.20 C ATOM 2109 OE1 GLU A 128 6.620 9.001 31.457 1.00 52.30 O ATOM 2110 OE2 GLU A 128 7.058 7.535 29.879 1.00 4.35 O ATOM 0 H GLU A 128 4.632 9.279 26.971 1.00 43.14 H new ATOM 0 HA GLU A 128 4.045 7.846 29.267 1.00 64.33 H new ATOM 0 HB2 GLU A 128 4.411 10.835 28.834 1.00 42.42 H new ATOM 0 HB3 GLU A 128 4.412 10.065 30.408 1.00 42.42 H new ATOM 0 HG2 GLU A 128 6.327 9.218 28.221 1.00 50.42 H new ATOM 0 HG3 GLU A 128 6.686 10.557 29.293 1.00 50.42 H new ATOM 2117 N ARG A 129 1.719 10.082 28.525 1.00 1.03 N ATOM 2118 CA ARG A 129 0.332 10.454 28.775 1.00 33.22 C ATOM 2119 C ARG A 129 -0.596 9.260 28.571 1.00 33.14 C ATOM 2120 O ARG A 129 -1.555 9.071 29.320 1.00 53.53 O ATOM 2121 CB ARG A 129 -0.085 11.601 27.853 1.00 73.23 C ATOM 2122 CG ARG A 129 0.704 12.880 28.076 1.00 3.13 C ATOM 2123 CD ARG A 129 0.059 13.754 29.140 1.00 1.15 C ATOM 2124 NE ARG A 129 -1.127 14.442 28.638 1.00 0.42 N ATOM 2125 CZ ARG A 129 -1.704 15.463 29.262 1.00 1.15 C ATOM 2126 NH1 ARG A 129 -1.206 15.912 30.406 1.00 20.14 N ATOM 2127 NH2 ARG A 129 -2.781 16.038 28.742 1.00 21.42 N ATOM 0 H ARG A 129 2.192 10.659 27.829 1.00 1.03 H new ATOM 0 HA ARG A 129 0.251 10.782 29.811 1.00 33.22 H new ATOM 0 HB2 ARG A 129 0.037 11.285 26.817 1.00 73.23 H new ATOM 0 HB3 ARG A 129 -1.145 11.808 28.001 1.00 73.23 H new ATOM 0 HG2 ARG A 129 1.723 12.633 28.375 1.00 3.13 H new ATOM 0 HG3 ARG A 129 0.772 13.435 27.140 1.00 3.13 H new ATOM 0 HD2 ARG A 129 -0.214 13.139 29.997 1.00 1.15 H new ATOM 0 HD3 ARG A 129 0.782 14.489 29.493 1.00 1.15 H new ATOM 0 HE ARG A 129 -1.535 14.121 27.760 1.00 0.42 H new ATOM 0 HH11 ARG A 129 -0.378 15.473 30.809 1.00 20.14 H new ATOM 0 HH12 ARG A 129 -1.651 16.696 30.883 1.00 20.14 H new ATOM 0 HH21 ARG A 129 -3.167 15.696 27.862 1.00 21.42 H new ATOM 0 HH22 ARG A 129 -3.223 16.822 29.222 1.00 21.42 H new ATOM 2141 N SER A 130 -0.304 8.457 27.553 1.00 31.22 N ATOM 2142 CA SER A 130 -1.115 7.284 27.248 1.00 24.41 C ATOM 2143 C SER A 130 -1.204 6.356 28.456 1.00 13.21 C ATOM 2144 O SER A 130 -2.279 5.856 28.791 1.00 21.03 O ATOM 2145 CB SER A 130 -0.528 6.529 26.054 1.00 63.22 C ATOM 2146 OG SER A 130 -1.541 5.855 25.328 1.00 55.30 O ATOM 0 H SER A 130 0.488 8.597 26.926 1.00 31.22 H new ATOM 0 HA SER A 130 -2.120 7.623 26.997 1.00 24.41 H new ATOM 0 HB2 SER A 130 -0.009 7.228 25.397 1.00 63.22 H new ATOM 0 HB3 SER A 130 0.213 5.810 26.403 1.00 63.22 H new ATOM 0 HG SER A 130 -1.225 5.673 24.418 1.00 55.30 H new ATOM 2152 N LEU A 131 -0.068 6.131 29.106 1.00 30.24 N ATOM 2153 CA LEU A 131 -0.016 5.263 30.278 1.00 12.32 C ATOM 2154 C LEU A 131 -0.711 5.915 31.469 1.00 10.14 C ATOM 2155 O LEU A 131 -1.387 5.245 32.249 1.00 74.01 O ATOM 2156 CB LEU A 131 1.436 4.941 30.634 1.00 30.53 C ATOM 2157 CG LEU A 131 2.369 4.657 29.456 1.00 32.14 C ATOM 2158 CD1 LEU A 131 3.746 4.245 29.953 1.00 32.32 C ATOM 2159 CD2 LEU A 131 1.780 3.580 28.557 1.00 71.00 C ATOM 0 H LEU A 131 0.830 6.537 28.842 1.00 30.24 H new ATOM 0 HA LEU A 131 -0.539 4.337 30.038 1.00 12.32 H new ATOM 0 HB2 LEU A 131 1.844 5.778 31.201 1.00 30.53 H new ATOM 0 HB3 LEU A 131 1.443 4.074 31.295 1.00 30.53 H new ATOM 0 HG LEU A 131 2.475 5.571 28.872 1.00 32.14 H new ATOM 0 HD11 LEU A 131 4.396 4.047 29.101 1.00 32.32 H new ATOM 0 HD12 LEU A 131 4.171 5.048 30.555 1.00 32.32 H new ATOM 0 HD13 LEU A 131 3.659 3.344 30.560 1.00 32.32 H new ATOM 0 HD21 LEU A 131 2.457 3.391 27.724 1.00 71.00 H new ATOM 0 HD22 LEU A 131 1.644 2.663 29.130 1.00 71.00 H new ATOM 0 HD23 LEU A 131 0.816 3.914 28.172 1.00 71.00 H new ATOM 2171 N ALA A 132 -0.541 7.226 31.602 1.00 2.52 N ATOM 2172 CA ALA A 132 -1.155 7.970 32.696 1.00 61.45 C ATOM 2173 C ALA A 132 -2.659 7.722 32.751 1.00 4.10 C ATOM 2174 O ALA A 132 -3.250 7.673 33.829 1.00 4.13 O ATOM 2175 CB ALA A 132 -0.868 9.457 32.550 1.00 62.34 C ATOM 0 H ALA A 132 0.017 7.796 30.966 1.00 2.52 H new ATOM 0 HA ALA A 132 -0.720 7.618 33.632 1.00 61.45 H new ATOM 0 HB1 ALA A 132 -1.332 10.000 33.373 1.00 62.34 H new ATOM 0 HB2 ALA A 132 0.209 9.623 32.568 1.00 62.34 H new ATOM 0 HB3 ALA A 132 -1.275 9.815 31.604 1.00 62.34 H new ATOM 2181 N ALA A 133 -3.272 7.567 31.582 1.00 3.51 N ATOM 2182 CA ALA A 133 -4.706 7.324 31.498 1.00 33.23 C ATOM 2183 C ALA A 133 -5.064 5.951 32.059 1.00 42.42 C ATOM 2184 O ALA A 133 -6.045 5.804 32.787 1.00 2.31 O ATOM 2185 CB ALA A 133 -5.179 7.447 30.057 1.00 14.25 C ATOM 0 H ALA A 133 -2.797 7.606 30.680 1.00 3.51 H new ATOM 0 HA ALA A 133 -5.213 8.078 32.101 1.00 33.23 H new ATOM 0 HB1 ALA A 133 -6.252 7.263 30.009 1.00 14.25 H new ATOM 0 HB2 ALA A 133 -4.966 8.451 29.689 1.00 14.25 H new ATOM 0 HB3 ALA A 133 -4.658 6.716 29.439 1.00 14.25 H new ATOM 2191 N ALA A 134 -4.262 4.949 31.714 1.00 42.41 N ATOM 2192 CA ALA A 134 -4.493 3.589 32.184 1.00 53.21 C ATOM 2193 C ALA A 134 -4.139 3.451 33.661 1.00 61.14 C ATOM 2194 O ALA A 134 -4.623 2.547 34.344 1.00 42.41 O ATOM 2195 CB ALA A 134 -3.691 2.600 31.352 1.00 74.52 C ATOM 0 H ALA A 134 -3.446 5.054 31.111 1.00 42.41 H new ATOM 0 HA ALA A 134 -5.554 3.367 32.070 1.00 53.21 H new ATOM 0 HB1 ALA A 134 -3.873 1.588 31.714 1.00 74.52 H new ATOM 0 HB2 ALA A 134 -3.995 2.672 30.308 1.00 74.52 H new ATOM 0 HB3 ALA A 134 -2.629 2.830 31.437 1.00 74.52 H new ATOM 2201 N LEU A 135 -3.292 4.351 34.148 1.00 64.35 N ATOM 2202 CA LEU A 135 -2.871 4.329 35.544 1.00 34.34 C ATOM 2203 C LEU A 135 -4.072 4.462 36.476 1.00 23.22 C ATOM 2204 O LEU A 135 -4.061 3.947 37.594 1.00 53.22 O ATOM 2205 CB LEU A 135 -1.874 5.456 35.815 1.00 4.11 C ATOM 2206 CG LEU A 135 -0.982 5.282 37.045 1.00 43.11 C ATOM 2207 CD1 LEU A 135 0.033 4.173 36.816 1.00 72.52 C ATOM 2208 CD2 LEU A 135 -0.279 6.589 37.383 1.00 64.40 C ATOM 0 H LEU A 135 -2.883 5.105 33.596 1.00 64.35 H new ATOM 0 HA LEU A 135 -2.388 3.371 35.737 1.00 34.34 H new ATOM 0 HB2 LEU A 135 -1.234 5.566 34.940 1.00 4.11 H new ATOM 0 HB3 LEU A 135 -2.430 6.387 35.923 1.00 4.11 H new ATOM 0 HG LEU A 135 -1.611 5.002 37.890 1.00 43.11 H new ATOM 0 HD11 LEU A 135 0.659 4.064 37.702 1.00 72.52 H new ATOM 0 HD12 LEU A 135 -0.489 3.236 36.623 1.00 72.52 H new ATOM 0 HD13 LEU A 135 0.658 4.423 35.959 1.00 72.52 H new ATOM 0 HD21 LEU A 135 0.351 6.447 38.261 1.00 64.40 H new ATOM 0 HD22 LEU A 135 0.338 6.899 36.540 1.00 64.40 H new ATOM 0 HD23 LEU A 135 -1.022 7.359 37.591 1.00 64.40 H new ATOM 2220 N GLU A 136 -5.105 5.154 36.007 1.00 50.03 N ATOM 2221 CA GLU A 136 -6.313 5.353 36.798 1.00 33.14 C ATOM 2222 C GLU A 136 -7.427 4.419 36.335 1.00 73.41 C ATOM 2223 O GLU A 136 -7.670 4.270 35.137 1.00 61.12 O ATOM 2224 CB GLU A 136 -6.779 6.807 36.702 1.00 53.10 C ATOM 2225 CG GLU A 136 -7.976 7.123 37.584 1.00 61.44 C ATOM 2226 CD GLU A 136 -8.092 8.600 37.903 1.00 52.44 C ATOM 2227 OE1 GLU A 136 -8.627 9.349 37.058 1.00 75.42 O ATOM 2228 OE2 GLU A 136 -7.648 9.009 38.996 1.00 70.22 O ATOM 0 H GLU A 136 -5.129 5.586 35.083 1.00 50.03 H new ATOM 0 HA GLU A 136 -6.078 5.122 37.837 1.00 33.14 H new ATOM 0 HB2 GLU A 136 -5.953 7.463 36.976 1.00 53.10 H new ATOM 0 HB3 GLU A 136 -7.033 7.031 35.666 1.00 53.10 H new ATOM 0 HG2 GLU A 136 -8.887 6.790 37.087 1.00 61.44 H new ATOM 0 HG3 GLU A 136 -7.896 6.560 38.514 1.00 61.44 H new ATOM 2235 N HIS A 137 -8.102 3.790 37.293 1.00 44.41 N ATOM 2236 CA HIS A 137 -9.190 2.870 36.984 1.00 53.11 C ATOM 2237 C HIS A 137 -10.515 3.617 36.860 1.00 44.45 C ATOM 2238 O HIS A 137 -11.202 3.519 35.842 1.00 23.13 O ATOM 2239 CB HIS A 137 -9.298 1.794 38.064 1.00 33.43 C ATOM 2240 CG HIS A 137 -10.426 0.834 37.843 1.00 73.45 C ATOM 2241 ND1 HIS A 137 -11.343 0.510 38.821 1.00 42.43 N ATOM 2242 CD2 HIS A 137 -10.784 0.126 36.745 1.00 11.33 C ATOM 2243 CE1 HIS A 137 -12.215 -0.355 38.335 1.00 24.54 C ATOM 2244 NE2 HIS A 137 -11.898 -0.605 37.077 1.00 11.35 N ATOM 0 H HIS A 137 -7.914 3.901 38.289 1.00 44.41 H new ATOM 0 HA HIS A 137 -8.970 2.395 36.028 1.00 53.11 H new ATOM 0 HB2 HIS A 137 -8.362 1.238 38.106 1.00 33.43 H new ATOM 0 HB3 HIS A 137 -9.426 2.276 39.033 1.00 33.43 H new ATOM 0 HD2 HIS A 137 -10.286 0.135 35.787 1.00 11.33 H new ATOM 0 HE1 HIS A 137 -13.046 -0.785 38.874 1.00 24.54 H new ATOM 0 HE2 HIS A 137 -12.399 -1.238 36.454 1.00 11.35 H new ATOM 2252 N HIS A 138 -10.868 4.364 37.901 1.00 5.02 N ATOM 2253 CA HIS A 138 -12.110 5.128 37.908 1.00 30.03 C ATOM 2254 C HIS A 138 -12.159 6.096 36.730 1.00 75.22 C ATOM 2255 O HIS A 138 -12.978 5.942 35.823 1.00 40.45 O ATOM 2256 CB HIS A 138 -12.253 5.898 39.222 1.00 63.34 C ATOM 2257 CG HIS A 138 -13.603 6.518 39.409 1.00 41.34 C ATOM 2258 ND1 HIS A 138 -13.884 7.420 40.413 1.00 11.11 N ATOM 2259 CD2 HIS A 138 -14.752 6.364 38.711 1.00 35.20 C ATOM 2260 CE1 HIS A 138 -15.149 7.792 40.327 1.00 42.05 C ATOM 2261 NE2 HIS A 138 -15.698 7.166 39.301 1.00 20.35 N ATOM 0 H HIS A 138 -10.311 4.456 38.751 1.00 5.02 H new ATOM 0 HA HIS A 138 -12.939 4.427 37.814 1.00 30.03 H new ATOM 0 HB2 HIS A 138 -12.055 5.222 40.053 1.00 63.34 H new ATOM 0 HB3 HIS A 138 -11.495 6.680 39.260 1.00 63.34 H new ATOM 0 HD2 HIS A 138 -14.898 5.729 37.850 1.00 35.20 H new ATOM 0 HE1 HIS A 138 -15.649 8.489 40.983 1.00 42.05 H new ATOM 0 HE2 HIS A 138 -16.667 7.263 38.997 1.00 20.35 H new TER 2269 HIS A 138