USER MOD reduce.3.24.130724 H: found=0, std=0, add=1153, rem=0, adj=28 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= -0.6 K(o=-0.7,f=-1.5) USER MOD Set 1.2: A 69 GLN : amide:sc= -0.102 X(o=-0.7,f=-1.2) USER MOD Set 2.1: A 13 ASN : amide:sc= -0.481! K(o=0.8!,f=-2.5) USER MOD Set 2.2: A 46 TYR OH : rot -129:sc= 1.28 USER MOD Set 3.1: A 9 THR OG1 : rot 89:sc= 1.1 USER MOD Set 3.2: A 42 MET CE :methyl -174:sc= -0.524 (180deg=-0.238) USER MOD Set 4.1: A 5 SER OG : rot 110:sc= 0.765 USER MOD Set 4.2: A 38 LYS NZ :NH3+ -130:sc= 0.865 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= -0.0137 USER MOD Single : A 7 GLN : amide:sc= -0.0404 K(o=-0.04,f=-3.1!) USER MOD Single : A 10 THR OG1 : rot 85:sc= 1.28 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 2:sc= 0.0696 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0287 USER MOD Single : A 19 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.21) USER MOD Single : A 21 SER OG : rot -147:sc= 0.447 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -46:sc= -0.14 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -1.4 K(o=-1.4,f=-7!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -123:sc= 0.0564 (180deg=0) USER MOD Single : A 47 MET CE :methyl -129:sc= -3.64! (180deg=-6.47!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 70:sc= -0.127 USER MOD Single : A 64 MET CE :methyl -146:sc= -0.436 (180deg=-3.16!) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.17) USER MOD Single : A 72 LYS NZ :NH3+ -142:sc= 0.549 (180deg=-0.0971) USER MOD Single : A 74 GLN : amide:sc= -0.618 K(o=-0.62,f=-0.12) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.386 K(o=-0.39,f=-1.2) USER MOD Single : A 80 GLN : amide:sc= -2.41 K(o=-2.4,f=-7.3!) USER MOD Single : A 82 SER OG : rot 100:sc= -1.22 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -4.24! C(o=-4.2!,f=-5.2!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 165:sc= 0.237 (180deg=0.155) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0157) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.7!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.014) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0479) USER MOD Single : A 122 GLN : amide:sc=-0.00057 X(o=-0.00057,f=-0.029) USER MOD Single : A 125 ASN : amide:sc= -0.209 X(o=-0.21,f=0) USER MOD Single : A 130 SER OG : rot 169:sc= -0.294 USER MOD Single : A 137 HIS : no HD1:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 138 HIS : no HD1:sc= -0.0212 X(o=-0.021,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 8.067 -6.959 -4.823 1.00 73.01 N ATOM 2 CA ALA A 2 6.918 -6.103 -4.553 1.00 61.14 C ATOM 3 C ALA A 2 6.458 -6.242 -3.106 1.00 52.13 C ATOM 4 O ALA A 2 6.571 -7.312 -2.508 1.00 61.12 O ATOM 5 CB ALA A 2 5.778 -6.433 -5.506 1.00 25.52 C ATOM 0 HA ALA A 2 7.222 -5.068 -4.712 1.00 61.14 H new ATOM 0 HB1 ALA A 2 4.927 -5.786 -5.293 1.00 25.52 H new ATOM 0 HB2 ALA A 2 6.105 -6.275 -6.534 1.00 25.52 H new ATOM 0 HB3 ALA A 2 5.484 -7.474 -5.375 1.00 25.52 H new ATOM 11 N PHE A 3 5.939 -5.153 -2.548 1.00 71.13 N ATOM 12 CA PHE A 3 5.463 -5.153 -1.170 1.00 31.31 C ATOM 13 C PHE A 3 4.001 -5.585 -1.099 1.00 62.53 C ATOM 14 O PHE A 3 3.208 -5.277 -1.988 1.00 52.24 O ATOM 15 CB PHE A 3 5.626 -3.763 -0.552 1.00 31.34 C ATOM 16 CG PHE A 3 4.983 -3.629 0.799 1.00 11.12 C ATOM 17 CD1 PHE A 3 5.423 -4.391 1.869 1.00 11.25 C ATOM 18 CD2 PHE A 3 3.938 -2.741 0.998 1.00 10.04 C ATOM 19 CE1 PHE A 3 4.834 -4.269 3.114 1.00 73.31 C ATOM 20 CE2 PHE A 3 3.345 -2.615 2.240 1.00 2.15 C ATOM 21 CZ PHE A 3 3.793 -3.381 3.299 1.00 13.22 C ATOM 0 H PHE A 3 5.838 -4.259 -3.029 1.00 71.13 H new ATOM 0 HA PHE A 3 6.062 -5.867 -0.605 1.00 31.31 H new ATOM 0 HB2 PHE A 3 6.688 -3.535 -0.464 1.00 31.34 H new ATOM 0 HB3 PHE A 3 5.196 -3.022 -1.226 1.00 31.34 H new ATOM 0 HD1 PHE A 3 6.236 -5.089 1.729 1.00 11.25 H new ATOM 0 HD2 PHE A 3 3.583 -2.141 0.173 1.00 10.04 H new ATOM 0 HE1 PHE A 3 5.188 -4.867 3.941 1.00 73.31 H new ATOM 0 HE2 PHE A 3 2.532 -1.918 2.383 1.00 2.15 H new ATOM 0 HZ PHE A 3 3.330 -3.285 4.270 1.00 13.22 H new ATOM 31 N SER A 4 3.653 -6.302 -0.036 1.00 30.44 N ATOM 32 CA SER A 4 2.288 -6.781 0.150 1.00 22.40 C ATOM 33 C SER A 4 1.895 -6.744 1.624 1.00 50.34 C ATOM 34 O SER A 4 2.577 -7.314 2.474 1.00 24.44 O ATOM 35 CB SER A 4 2.147 -8.205 -0.391 1.00 21.51 C ATOM 36 OG SER A 4 2.782 -8.338 -1.651 1.00 53.41 O ATOM 0 H SER A 4 4.297 -6.564 0.710 1.00 30.44 H new ATOM 0 HA SER A 4 1.619 -6.121 -0.403 1.00 22.40 H new ATOM 0 HB2 SER A 4 2.584 -8.911 0.316 1.00 21.51 H new ATOM 0 HB3 SER A 4 1.091 -8.459 -0.484 1.00 21.51 H new ATOM 0 HG SER A 4 2.679 -9.257 -1.974 1.00 53.41 H new ATOM 42 N SER A 5 0.789 -6.067 1.917 1.00 3.14 N ATOM 43 CA SER A 5 0.306 -5.950 3.288 1.00 31.52 C ATOM 44 C SER A 5 0.128 -7.328 3.920 1.00 3.44 C ATOM 45 O SER A 5 0.215 -7.478 5.139 1.00 62.35 O ATOM 46 CB SER A 5 -1.020 -5.187 3.321 1.00 65.02 C ATOM 47 OG SER A 5 -0.904 -3.936 2.665 1.00 70.44 O ATOM 0 H SER A 5 0.211 -5.592 1.224 1.00 3.14 H new ATOM 0 HA SER A 5 1.049 -5.398 3.863 1.00 31.52 H new ATOM 0 HB2 SER A 5 -1.798 -5.782 2.842 1.00 65.02 H new ATOM 0 HB3 SER A 5 -1.329 -5.032 4.355 1.00 65.02 H new ATOM 0 HG SER A 5 -1.412 -3.958 1.827 1.00 70.44 H new ATOM 53 N GLU A 6 -0.121 -8.329 3.082 1.00 11.13 N ATOM 54 CA GLU A 6 -0.312 -9.694 3.559 1.00 1.31 C ATOM 55 C GLU A 6 1.002 -10.281 4.066 1.00 32.44 C ATOM 56 O GLU A 6 1.012 -11.106 4.980 1.00 61.34 O ATOM 57 CB GLU A 6 -0.879 -10.573 2.443 1.00 53.13 C ATOM 58 CG GLU A 6 0.013 -10.650 1.215 1.00 3.25 C ATOM 59 CD GLU A 6 -0.475 -11.666 0.201 1.00 15.34 C ATOM 60 OE1 GLU A 6 -1.647 -12.087 0.300 1.00 24.31 O ATOM 61 OE2 GLU A 6 0.314 -12.039 -0.692 1.00 1.34 O ATOM 0 H GLU A 6 -0.195 -8.221 2.070 1.00 11.13 H new ATOM 0 HA GLU A 6 -1.021 -9.667 4.386 1.00 1.31 H new ATOM 0 HB2 GLU A 6 -1.037 -11.580 2.830 1.00 53.13 H new ATOM 0 HB3 GLU A 6 -1.855 -10.187 2.149 1.00 53.13 H new ATOM 0 HG2 GLU A 6 0.062 -9.668 0.745 1.00 3.25 H new ATOM 0 HG3 GLU A 6 1.027 -10.907 1.523 1.00 3.25 H new ATOM 68 N GLN A 7 2.107 -9.850 3.467 1.00 72.44 N ATOM 69 CA GLN A 7 3.426 -10.335 3.857 1.00 54.23 C ATOM 70 C GLN A 7 3.782 -9.869 5.264 1.00 3.33 C ATOM 71 O GLN A 7 4.173 -10.669 6.114 1.00 22.41 O ATOM 72 CB GLN A 7 4.484 -9.852 2.863 1.00 11.13 C ATOM 73 CG GLN A 7 4.976 -10.939 1.922 1.00 72.31 C ATOM 74 CD GLN A 7 5.935 -11.903 2.593 1.00 12.53 C ATOM 75 OE1 GLN A 7 6.637 -11.540 3.538 1.00 72.31 O ATOM 76 NE2 GLN A 7 5.970 -13.138 2.108 1.00 33.11 N ATOM 0 H GLN A 7 2.116 -9.166 2.710 1.00 72.44 H new ATOM 0 HA GLN A 7 3.402 -11.425 3.850 1.00 54.23 H new ATOM 0 HB2 GLN A 7 4.070 -9.033 2.274 1.00 11.13 H new ATOM 0 HB3 GLN A 7 5.333 -9.450 3.416 1.00 11.13 H new ATOM 0 HG2 GLN A 7 4.121 -11.494 1.535 1.00 72.31 H new ATOM 0 HG3 GLN A 7 5.470 -10.478 1.067 1.00 72.31 H new ATOM 0 HE21 GLN A 7 5.371 -13.395 1.324 1.00 33.11 H new ATOM 0 HE22 GLN A 7 6.596 -13.830 2.520 1.00 33.11 H new ATOM 85 N PHE A 8 3.646 -8.569 5.504 1.00 14.23 N ATOM 86 CA PHE A 8 3.955 -7.996 6.809 1.00 11.41 C ATOM 87 C PHE A 8 3.107 -8.641 7.901 1.00 23.24 C ATOM 88 O PHE A 8 3.614 -9.008 8.962 1.00 1.33 O ATOM 89 CB PHE A 8 3.722 -6.483 6.794 1.00 73.54 C ATOM 90 CG PHE A 8 4.101 -5.805 8.079 1.00 33.41 C ATOM 91 CD1 PHE A 8 5.355 -5.998 8.636 1.00 35.31 C ATOM 92 CD2 PHE A 8 3.203 -4.975 8.731 1.00 73.42 C ATOM 93 CE1 PHE A 8 5.707 -5.375 9.819 1.00 73.53 C ATOM 94 CE2 PHE A 8 3.549 -4.350 9.913 1.00 3.43 C ATOM 95 CZ PHE A 8 4.802 -4.551 10.459 1.00 43.24 C ATOM 0 H PHE A 8 3.324 -7.892 4.812 1.00 14.23 H new ATOM 0 HA PHE A 8 5.005 -8.193 7.025 1.00 11.41 H new ATOM 0 HB2 PHE A 8 4.295 -6.043 5.978 1.00 73.54 H new ATOM 0 HB3 PHE A 8 2.670 -6.288 6.586 1.00 73.54 H new ATOM 0 HD1 PHE A 8 6.066 -6.643 8.140 1.00 35.31 H new ATOM 0 HD2 PHE A 8 2.221 -4.815 8.310 1.00 73.42 H new ATOM 0 HE1 PHE A 8 6.688 -5.532 10.242 1.00 73.53 H new ATOM 0 HE2 PHE A 8 2.840 -3.704 10.410 1.00 3.43 H new ATOM 0 HZ PHE A 8 5.073 -4.065 11.384 1.00 43.24 H new ATOM 105 N THR A 9 1.812 -8.777 7.635 1.00 51.14 N ATOM 106 CA THR A 9 0.893 -9.376 8.594 1.00 53.12 C ATOM 107 C THR A 9 1.184 -10.860 8.782 1.00 64.32 C ATOM 108 O THR A 9 1.370 -11.330 9.905 1.00 70.41 O ATOM 109 CB THR A 9 -0.572 -9.204 8.150 1.00 35.54 C ATOM 110 OG1 THR A 9 -0.768 -7.897 7.600 1.00 10.14 O ATOM 111 CG2 THR A 9 -1.520 -9.415 9.321 1.00 14.44 C ATOM 0 H THR A 9 1.376 -8.480 6.762 1.00 51.14 H new ATOM 0 HA THR A 9 1.042 -8.857 9.541 1.00 53.12 H new ATOM 0 HB THR A 9 -0.788 -9.953 7.388 1.00 35.54 H new ATOM 0 HG1 THR A 9 -0.578 -7.915 6.639 1.00 10.14 H new ATOM 0 HG21 THR A 9 -2.549 -9.289 8.984 1.00 14.44 H new ATOM 0 HG22 THR A 9 -1.389 -10.422 9.718 1.00 14.44 H new ATOM 0 HG23 THR A 9 -1.302 -8.686 10.102 1.00 14.44 H new ATOM 119 N THR A 10 1.225 -11.596 7.675 1.00 55.30 N ATOM 120 CA THR A 10 1.493 -13.027 7.718 1.00 24.50 C ATOM 121 C THR A 10 2.838 -13.315 8.377 1.00 54.10 C ATOM 122 O THR A 10 3.003 -14.326 9.060 1.00 13.21 O ATOM 123 CB THR A 10 1.485 -13.643 6.306 1.00 35.42 C ATOM 124 OG1 THR A 10 0.200 -13.461 5.700 1.00 1.21 O ATOM 125 CG2 THR A 10 1.819 -15.126 6.361 1.00 71.43 C ATOM 0 H THR A 10 1.076 -11.223 6.737 1.00 55.30 H new ATOM 0 HA THR A 10 0.697 -13.480 8.309 1.00 24.50 H new ATOM 0 HB THR A 10 2.244 -13.138 5.708 1.00 35.42 H new ATOM 0 HG1 THR A 10 0.161 -12.579 5.274 1.00 1.21 H new ATOM 0 HG21 THR A 10 1.807 -15.539 5.352 1.00 71.43 H new ATOM 0 HG22 THR A 10 2.809 -15.260 6.797 1.00 71.43 H new ATOM 0 HG23 THR A 10 1.080 -15.643 6.973 1.00 71.43 H new ATOM 133 N LYS A 11 3.797 -12.419 8.169 1.00 71.33 N ATOM 134 CA LYS A 11 5.128 -12.575 8.744 1.00 15.11 C ATOM 135 C LYS A 11 5.117 -12.252 10.235 1.00 72.21 C ATOM 136 O LYS A 11 5.837 -12.871 11.020 1.00 74.33 O ATOM 137 CB LYS A 11 6.127 -11.668 8.022 1.00 31.14 C ATOM 138 CG LYS A 11 6.572 -12.206 6.673 1.00 12.33 C ATOM 139 CD LYS A 11 7.413 -13.462 6.824 1.00 72.34 C ATOM 140 CE LYS A 11 7.872 -13.991 5.473 1.00 12.41 C ATOM 141 NZ LYS A 11 8.107 -15.461 5.503 1.00 13.25 N ATOM 0 H LYS A 11 3.677 -11.577 7.606 1.00 71.33 H new ATOM 0 HA LYS A 11 5.433 -13.614 8.617 1.00 15.11 H new ATOM 0 HB2 LYS A 11 5.677 -10.685 7.881 1.00 31.14 H new ATOM 0 HB3 LYS A 11 7.003 -11.530 8.656 1.00 31.14 H new ATOM 0 HG2 LYS A 11 5.697 -12.424 6.061 1.00 12.33 H new ATOM 0 HG3 LYS A 11 7.147 -11.443 6.148 1.00 12.33 H new ATOM 0 HD2 LYS A 11 8.282 -13.247 7.446 1.00 72.34 H new ATOM 0 HD3 LYS A 11 6.834 -14.229 7.339 1.00 72.34 H new ATOM 0 HE2 LYS A 11 7.121 -13.759 4.718 1.00 12.41 H new ATOM 0 HE3 LYS A 11 8.790 -13.483 5.177 1.00 12.41 H new ATOM 0 HZ1 LYS A 11 8.418 -15.782 4.564 1.00 13.25 H new ATOM 0 HZ2 LYS A 11 8.842 -15.681 6.205 1.00 13.25 H new ATOM 0 HZ3 LYS A 11 7.225 -15.948 5.761 1.00 13.25 H new ATOM 155 N LEU A 12 4.296 -11.281 10.619 1.00 32.24 N ATOM 156 CA LEU A 12 4.190 -10.877 12.017 1.00 21.32 C ATOM 157 C LEU A 12 3.517 -11.964 12.849 1.00 73.43 C ATOM 158 O LEU A 12 3.865 -12.177 14.009 1.00 21.21 O ATOM 159 CB LEU A 12 3.404 -9.570 12.133 1.00 71.31 C ATOM 160 CG LEU A 12 4.184 -8.289 11.835 1.00 72.33 C ATOM 161 CD1 LEU A 12 3.253 -7.209 11.305 1.00 5.14 C ATOM 162 CD2 LEU A 12 4.911 -7.806 13.081 1.00 44.34 C ATOM 0 H LEU A 12 3.694 -10.759 9.982 1.00 32.24 H new ATOM 0 HA LEU A 12 5.198 -10.723 12.402 1.00 21.32 H new ATOM 0 HB2 LEU A 12 2.553 -9.620 11.454 1.00 71.31 H new ATOM 0 HB3 LEU A 12 3.002 -9.500 13.144 1.00 71.31 H new ATOM 0 HG LEU A 12 4.927 -8.508 11.068 1.00 72.33 H new ATOM 0 HD11 LEU A 12 3.825 -6.305 11.098 1.00 5.14 H new ATOM 0 HD12 LEU A 12 2.779 -7.556 10.387 1.00 5.14 H new ATOM 0 HD13 LEU A 12 2.487 -6.992 12.049 1.00 5.14 H new ATOM 0 HD21 LEU A 12 5.461 -6.893 12.851 1.00 44.34 H new ATOM 0 HD22 LEU A 12 4.186 -7.604 13.870 1.00 44.34 H new ATOM 0 HD23 LEU A 12 5.607 -8.574 13.417 1.00 44.34 H new ATOM 174 N ASN A 13 2.552 -12.651 12.246 1.00 55.14 N ATOM 175 CA ASN A 13 1.830 -13.718 12.930 1.00 2.30 C ATOM 176 C ASN A 13 2.632 -15.016 12.911 1.00 0.54 C ATOM 177 O ASN A 13 2.205 -16.031 13.462 1.00 2.25 O ATOM 178 CB ASN A 13 0.465 -13.939 12.276 1.00 33.43 C ATOM 179 CG ASN A 13 -0.268 -12.638 12.012 1.00 63.12 C ATOM 180 OD1 ASN A 13 -0.076 -11.650 12.720 1.00 3.32 O ATOM 181 ND2 ASN A 13 -1.113 -12.633 10.988 1.00 50.24 N ATOM 0 H ASN A 13 2.252 -12.488 11.285 1.00 55.14 H new ATOM 0 HA ASN A 13 1.684 -13.417 13.967 1.00 2.30 H new ATOM 0 HB2 ASN A 13 0.598 -14.475 11.336 1.00 33.43 H new ATOM 0 HB3 ASN A 13 -0.145 -14.572 12.920 1.00 33.43 H new ATOM 0 HD21 ASN A 13 -1.635 -11.786 10.761 1.00 50.24 H new ATOM 0 HD22 ASN A 13 -1.241 -13.476 10.428 1.00 50.24 H new ATOM 188 N THR A 14 3.798 -14.975 12.274 1.00 70.43 N ATOM 189 CA THR A 14 4.660 -16.147 12.182 1.00 32.14 C ATOM 190 C THR A 14 5.980 -15.916 12.908 1.00 65.12 C ATOM 191 O THR A 14 6.642 -16.865 13.332 1.00 41.24 O ATOM 192 CB THR A 14 4.951 -16.518 10.716 1.00 53.52 C ATOM 193 OG1 THR A 14 5.510 -15.393 10.028 1.00 24.02 O ATOM 194 CG2 THR A 14 3.681 -16.970 10.010 1.00 44.32 C ATOM 0 H THR A 14 4.167 -14.143 11.814 1.00 70.43 H new ATOM 0 HA THR A 14 4.126 -16.970 12.657 1.00 32.14 H new ATOM 0 HB THR A 14 5.666 -17.341 10.707 1.00 53.52 H new ATOM 0 HG1 THR A 14 5.609 -14.644 10.652 1.00 24.02 H new ATOM 0 HG21 THR A 14 3.911 -17.227 8.976 1.00 44.32 H new ATOM 0 HG22 THR A 14 3.273 -17.844 10.519 1.00 44.32 H new ATOM 0 HG23 THR A 14 2.948 -16.164 10.029 1.00 44.32 H new ATOM 202 N LEU A 15 6.359 -14.651 13.049 1.00 41.43 N ATOM 203 CA LEU A 15 7.602 -14.295 13.725 1.00 51.44 C ATOM 204 C LEU A 15 7.585 -14.761 15.177 1.00 61.44 C ATOM 205 O LEU A 15 6.555 -14.697 15.847 1.00 43.40 O ATOM 206 CB LEU A 15 7.822 -12.782 13.666 1.00 63.03 C ATOM 207 CG LEU A 15 7.265 -11.976 14.840 1.00 74.34 C ATOM 208 CD1 LEU A 15 8.296 -11.870 15.952 1.00 20.31 C ATOM 209 CD2 LEU A 15 6.831 -10.593 14.378 1.00 13.44 C ATOM 0 H LEU A 15 5.824 -13.854 12.704 1.00 41.43 H new ATOM 0 HA LEU A 15 8.423 -14.796 13.211 1.00 51.44 H new ATOM 0 HB2 LEU A 15 8.893 -12.593 13.598 1.00 63.03 H new ATOM 0 HB3 LEU A 15 7.373 -12.405 12.747 1.00 63.03 H new ATOM 0 HG LEU A 15 6.392 -12.497 15.232 1.00 74.34 H new ATOM 0 HD11 LEU A 15 7.882 -11.293 16.779 1.00 20.31 H new ATOM 0 HD12 LEU A 15 8.558 -12.869 16.302 1.00 20.31 H new ATOM 0 HD13 LEU A 15 9.189 -11.372 15.574 1.00 20.31 H new ATOM 0 HD21 LEU A 15 6.437 -10.033 15.226 1.00 13.44 H new ATOM 0 HD22 LEU A 15 7.687 -10.064 13.960 1.00 13.44 H new ATOM 0 HD23 LEU A 15 6.057 -10.690 13.616 1.00 13.44 H new ATOM 221 N GLU A 16 8.733 -15.230 15.656 1.00 44.42 N ATOM 222 CA GLU A 16 8.850 -15.706 17.029 1.00 12.42 C ATOM 223 C GLU A 16 9.810 -14.830 17.829 1.00 11.30 C ATOM 224 O GLU A 16 10.431 -13.915 17.287 1.00 73.21 O ATOM 225 CB GLU A 16 9.330 -17.158 17.050 1.00 72.30 C ATOM 226 CG GLU A 16 8.488 -18.090 16.195 1.00 54.13 C ATOM 227 CD GLU A 16 9.121 -19.457 16.023 1.00 1.14 C ATOM 228 OE1 GLU A 16 8.887 -20.332 16.883 1.00 2.21 O ATOM 229 OE2 GLU A 16 9.851 -19.651 15.029 1.00 70.42 O ATOM 0 H GLU A 16 9.595 -15.290 15.114 1.00 44.42 H new ATOM 0 HA GLU A 16 7.864 -15.650 17.491 1.00 12.42 H new ATOM 0 HB2 GLU A 16 10.363 -17.195 16.704 1.00 72.30 H new ATOM 0 HB3 GLU A 16 9.325 -17.519 18.079 1.00 72.30 H new ATOM 0 HG2 GLU A 16 7.504 -18.204 16.650 1.00 54.13 H new ATOM 0 HG3 GLU A 16 8.335 -17.639 15.215 1.00 54.13 H new ATOM 236 N ASP A 17 9.926 -15.116 19.121 1.00 35.10 N ATOM 237 CA ASP A 17 10.810 -14.356 19.997 1.00 53.34 C ATOM 238 C ASP A 17 12.247 -14.854 19.882 1.00 2.43 C ATOM 239 O ASP A 17 12.687 -15.697 20.664 1.00 14.31 O ATOM 240 CB ASP A 17 10.336 -14.456 21.447 1.00 32.33 C ATOM 241 CG ASP A 17 10.170 -15.892 21.904 1.00 72.41 C ATOM 242 OD1 ASP A 17 9.273 -16.582 21.376 1.00 31.31 O ATOM 243 OD2 ASP A 17 10.936 -16.326 22.790 1.00 61.23 O ATOM 0 H ASP A 17 9.419 -15.869 19.585 1.00 35.10 H new ATOM 0 HA ASP A 17 10.780 -13.312 19.686 1.00 53.34 H new ATOM 0 HB2 ASP A 17 11.052 -13.952 22.096 1.00 32.33 H new ATOM 0 HB3 ASP A 17 9.386 -13.932 21.553 1.00 32.33 H new ATOM 248 N SER A 18 12.974 -14.327 18.902 1.00 4.34 N ATOM 249 CA SER A 18 14.361 -14.721 18.682 1.00 30.15 C ATOM 250 C SER A 18 15.198 -13.531 18.225 1.00 4.42 C ATOM 251 O SER A 18 14.746 -12.712 17.425 1.00 5.24 O ATOM 252 CB SER A 18 14.436 -15.841 17.643 1.00 20.21 C ATOM 253 OG SER A 18 13.214 -16.556 17.574 1.00 3.04 O ATOM 0 H SER A 18 12.626 -13.626 18.248 1.00 4.34 H new ATOM 0 HA SER A 18 14.764 -15.084 19.627 1.00 30.15 H new ATOM 0 HB2 SER A 18 14.670 -15.419 16.665 1.00 20.21 H new ATOM 0 HB3 SER A 18 15.247 -16.524 17.898 1.00 20.21 H new ATOM 0 HG SER A 18 13.287 -17.265 16.902 1.00 3.04 H new ATOM 259 N GLN A 19 16.421 -13.443 18.740 1.00 52.34 N ATOM 260 CA GLN A 19 17.322 -12.352 18.385 1.00 34.30 C ATOM 261 C GLN A 19 17.447 -12.220 16.871 1.00 55.12 C ATOM 262 O GLN A 19 17.378 -11.118 16.328 1.00 62.05 O ATOM 263 CB GLN A 19 18.701 -12.581 19.004 1.00 5.35 C ATOM 264 CG GLN A 19 19.576 -11.337 19.018 1.00 35.14 C ATOM 265 CD GLN A 19 18.983 -10.217 19.851 1.00 43.25 C ATOM 266 OE1 GLN A 19 19.041 -10.244 21.080 1.00 3.12 O ATOM 267 NE2 GLN A 19 18.409 -9.223 19.183 1.00 70.01 N ATOM 0 H GLN A 19 16.810 -14.113 19.403 1.00 52.34 H new ATOM 0 HA GLN A 19 16.904 -11.426 18.779 1.00 34.30 H new ATOM 0 HB2 GLN A 19 18.576 -12.939 20.026 1.00 5.35 H new ATOM 0 HB3 GLN A 19 19.212 -13.369 18.450 1.00 5.35 H new ATOM 0 HG2 GLN A 19 20.560 -11.594 19.409 1.00 35.14 H new ATOM 0 HG3 GLN A 19 19.721 -10.987 17.996 1.00 35.14 H new ATOM 0 HE21 GLN A 19 18.384 -9.241 18.163 1.00 70.01 H new ATOM 0 HE22 GLN A 19 17.994 -8.441 19.689 1.00 70.01 H new ATOM 276 N GLU A 20 17.630 -13.350 16.196 1.00 63.51 N ATOM 277 CA GLU A 20 17.766 -13.359 14.744 1.00 30.21 C ATOM 278 C GLU A 20 16.418 -13.118 14.070 1.00 3.33 C ATOM 279 O GLU A 20 16.347 -12.512 13.001 1.00 14.01 O ATOM 280 CB GLU A 20 18.353 -14.691 14.273 1.00 71.35 C ATOM 281 CG GLU A 20 19.820 -14.870 14.627 1.00 15.23 C ATOM 282 CD GLU A 20 20.017 -15.562 15.962 1.00 72.22 C ATOM 283 OE1 GLU A 20 19.579 -16.724 16.097 1.00 64.21 O ATOM 284 OE2 GLU A 20 20.608 -14.943 16.871 1.00 51.34 O ATOM 0 H GLU A 20 17.688 -14.271 16.631 1.00 63.51 H new ATOM 0 HA GLU A 20 18.443 -12.552 14.463 1.00 30.21 H new ATOM 0 HB2 GLU A 20 17.780 -15.507 14.713 1.00 71.35 H new ATOM 0 HB3 GLU A 20 18.237 -14.767 13.192 1.00 71.35 H new ATOM 0 HG2 GLU A 20 20.311 -15.450 13.845 1.00 15.23 H new ATOM 0 HG3 GLU A 20 20.306 -13.894 14.652 1.00 15.23 H new ATOM 291 N SER A 21 15.352 -13.597 14.704 1.00 43.53 N ATOM 292 CA SER A 21 14.007 -13.437 14.164 1.00 30.12 C ATOM 293 C SER A 21 13.659 -11.961 13.999 1.00 45.22 C ATOM 294 O SER A 21 13.210 -11.533 12.935 1.00 33.41 O ATOM 295 CB SER A 21 12.984 -14.114 15.079 1.00 64.01 C ATOM 296 OG SER A 21 11.666 -13.934 14.591 1.00 21.31 O ATOM 0 H SER A 21 15.394 -14.099 15.591 1.00 43.53 H new ATOM 0 HA SER A 21 13.978 -13.911 13.183 1.00 30.12 H new ATOM 0 HB2 SER A 21 13.206 -15.179 15.153 1.00 64.01 H new ATOM 0 HB3 SER A 21 13.062 -13.702 16.085 1.00 64.01 H new ATOM 0 HG SER A 21 11.042 -13.881 15.345 1.00 21.31 H new ATOM 302 N ILE A 22 13.871 -11.187 15.058 1.00 23.42 N ATOM 303 CA ILE A 22 13.582 -9.759 15.031 1.00 72.12 C ATOM 304 C ILE A 22 14.347 -9.064 13.910 1.00 65.42 C ATOM 305 O ILE A 22 13.834 -8.148 13.269 1.00 52.33 O ATOM 306 CB ILE A 22 13.934 -9.087 16.371 1.00 25.30 C ATOM 307 CG1 ILE A 22 13.188 -9.769 17.520 1.00 41.41 C ATOM 308 CG2 ILE A 22 13.603 -7.603 16.323 1.00 21.31 C ATOM 309 CD1 ILE A 22 11.683 -9.677 17.401 1.00 11.11 C ATOM 0 H ILE A 22 14.242 -11.525 15.946 1.00 23.42 H new ATOM 0 HA ILE A 22 12.511 -9.658 14.854 1.00 72.12 H new ATOM 0 HB ILE A 22 15.005 -9.194 16.544 1.00 25.30 H new ATOM 0 HG12 ILE A 22 13.478 -10.819 17.558 1.00 41.41 H new ATOM 0 HG13 ILE A 22 13.498 -9.318 18.463 1.00 41.41 H new ATOM 0 HG21 ILE A 22 13.858 -7.142 17.278 1.00 21.31 H new ATOM 0 HG22 ILE A 22 14.176 -7.128 15.527 1.00 21.31 H new ATOM 0 HG23 ILE A 22 12.538 -7.474 16.130 1.00 21.31 H new ATOM 0 HD11 ILE A 22 11.219 -10.181 18.249 1.00 11.11 H new ATOM 0 HD12 ILE A 22 11.382 -8.629 17.393 1.00 11.11 H new ATOM 0 HD13 ILE A 22 11.361 -10.154 16.475 1.00 11.11 H new ATOM 321 N SER A 23 15.579 -9.509 13.678 1.00 55.33 N ATOM 322 CA SER A 23 16.417 -8.929 12.635 1.00 53.50 C ATOM 323 C SER A 23 15.959 -9.385 11.253 1.00 31.42 C ATOM 324 O SER A 23 16.052 -8.640 10.278 1.00 11.33 O ATOM 325 CB SER A 23 17.881 -9.316 12.854 1.00 55.44 C ATOM 326 OG SER A 23 18.753 -8.336 12.317 1.00 13.13 O ATOM 0 H SER A 23 16.018 -10.269 14.198 1.00 55.33 H new ATOM 0 HA SER A 23 16.323 -7.844 12.689 1.00 53.50 H new ATOM 0 HB2 SER A 23 18.074 -9.434 13.920 1.00 55.44 H new ATOM 0 HB3 SER A 23 18.080 -10.280 12.386 1.00 55.44 H new ATOM 0 HG SER A 23 19.683 -8.606 12.471 1.00 13.13 H new ATOM 332 N SER A 24 15.464 -10.617 11.178 1.00 41.22 N ATOM 333 CA SER A 24 14.995 -11.176 9.915 1.00 31.15 C ATOM 334 C SER A 24 13.917 -10.292 9.297 1.00 51.53 C ATOM 335 O SER A 24 13.989 -9.937 8.121 1.00 43.25 O ATOM 336 CB SER A 24 14.450 -12.589 10.131 1.00 74.22 C ATOM 337 OG SER A 24 13.368 -12.857 9.255 1.00 20.44 O ATOM 0 H SER A 24 15.378 -11.246 11.976 1.00 41.22 H new ATOM 0 HA SER A 24 15.841 -11.221 9.229 1.00 31.15 H new ATOM 0 HB2 SER A 24 15.244 -13.318 9.967 1.00 74.22 H new ATOM 0 HB3 SER A 24 14.122 -12.702 11.164 1.00 74.22 H new ATOM 0 HG SER A 24 13.038 -13.766 9.411 1.00 20.44 H new ATOM 343 N ALA A 25 12.917 -9.939 10.098 1.00 22.35 N ATOM 344 CA ALA A 25 11.825 -9.095 9.632 1.00 53.14 C ATOM 345 C ALA A 25 12.278 -7.647 9.475 1.00 61.42 C ATOM 346 O ALA A 25 11.875 -6.959 8.537 1.00 1.24 O ATOM 347 CB ALA A 25 10.646 -9.180 10.589 1.00 14.14 C ATOM 0 H ALA A 25 12.841 -10.225 11.074 1.00 22.35 H new ATOM 0 HA ALA A 25 11.511 -9.458 8.653 1.00 53.14 H new ATOM 0 HB1 ALA A 25 9.838 -8.544 10.228 1.00 14.14 H new ATOM 0 HB2 ALA A 25 10.298 -10.211 10.647 1.00 14.14 H new ATOM 0 HB3 ALA A 25 10.956 -8.845 11.579 1.00 14.14 H new ATOM 353 N SER A 26 13.118 -7.192 10.399 1.00 52.31 N ATOM 354 CA SER A 26 13.622 -5.824 10.365 1.00 3.14 C ATOM 355 C SER A 26 14.285 -5.522 9.025 1.00 64.21 C ATOM 356 O SER A 26 14.049 -4.474 8.424 1.00 62.03 O ATOM 357 CB SER A 26 14.620 -5.598 11.503 1.00 11.11 C ATOM 358 OG SER A 26 15.881 -6.165 11.195 1.00 25.24 O ATOM 0 H SER A 26 13.464 -7.750 11.180 1.00 52.31 H new ATOM 0 HA SER A 26 12.776 -5.148 10.492 1.00 3.14 H new ATOM 0 HB2 SER A 26 14.733 -4.529 11.685 1.00 11.11 H new ATOM 0 HB3 SER A 26 14.234 -6.039 12.422 1.00 11.11 H new ATOM 0 HG SER A 26 15.755 -7.070 10.842 1.00 25.24 H new ATOM 364 N LYS A 27 15.117 -6.449 8.562 1.00 44.22 N ATOM 365 CA LYS A 27 15.815 -6.285 7.292 1.00 24.31 C ATOM 366 C LYS A 27 14.826 -6.063 6.152 1.00 4.43 C ATOM 367 O LYS A 27 15.118 -5.343 5.197 1.00 62.20 O ATOM 368 CB LYS A 27 16.679 -7.514 6.999 1.00 31.44 C ATOM 369 CG LYS A 27 17.870 -7.656 7.931 1.00 64.44 C ATOM 370 CD LYS A 27 18.249 -9.114 8.134 1.00 52.04 C ATOM 371 CE LYS A 27 19.099 -9.634 6.985 1.00 73.34 C ATOM 372 NZ LYS A 27 20.539 -9.301 7.165 1.00 70.32 N ATOM 0 H LYS A 27 15.324 -7.322 9.047 1.00 44.22 H new ATOM 0 HA LYS A 27 16.456 -5.407 7.369 1.00 24.31 H new ATOM 0 HB2 LYS A 27 16.061 -8.409 7.074 1.00 31.44 H new ATOM 0 HB3 LYS A 27 17.037 -7.459 5.971 1.00 31.44 H new ATOM 0 HG2 LYS A 27 18.721 -7.112 7.521 1.00 64.44 H new ATOM 0 HG3 LYS A 27 17.636 -7.203 8.894 1.00 64.44 H new ATOM 0 HD2 LYS A 27 18.796 -9.222 9.071 1.00 52.04 H new ATOM 0 HD3 LYS A 27 17.345 -9.717 8.222 1.00 52.04 H new ATOM 0 HE2 LYS A 27 18.983 -10.715 6.908 1.00 73.34 H new ATOM 0 HE3 LYS A 27 18.742 -9.208 6.047 1.00 73.34 H new ATOM 0 HZ1 LYS A 27 21.084 -9.673 6.361 1.00 70.32 H new ATOM 0 HZ2 LYS A 27 20.653 -8.268 7.213 1.00 70.32 H new ATOM 0 HZ3 LYS A 27 20.887 -9.729 8.047 1.00 70.32 H new ATOM 386 N TRP A 28 13.657 -6.683 6.261 1.00 40.44 N ATOM 387 CA TRP A 28 12.625 -6.550 5.239 1.00 74.22 C ATOM 388 C TRP A 28 11.955 -5.183 5.316 1.00 55.20 C ATOM 389 O TRP A 28 11.794 -4.501 4.303 1.00 70.02 O ATOM 390 CB TRP A 28 11.578 -7.654 5.396 1.00 31.42 C ATOM 391 CG TRP A 28 10.552 -7.661 4.303 1.00 4.12 C ATOM 392 CD1 TRP A 28 10.778 -7.845 2.969 1.00 71.31 C ATOM 393 CD2 TRP A 28 9.141 -7.473 4.451 1.00 12.13 C ATOM 394 NE1 TRP A 28 9.591 -7.783 2.279 1.00 64.14 N ATOM 395 CE2 TRP A 28 8.572 -7.557 3.165 1.00 2.52 C ATOM 396 CE3 TRP A 28 8.302 -7.244 5.545 1.00 33.31 C ATOM 397 CZ2 TRP A 28 7.204 -7.418 2.946 1.00 3.01 C ATOM 398 CZ3 TRP A 28 6.944 -7.107 5.326 1.00 43.31 C ATOM 399 CH2 TRP A 28 6.406 -7.195 4.035 1.00 2.40 C ATOM 0 H TRP A 28 13.400 -7.282 7.045 1.00 40.44 H new ATOM 0 HA TRP A 28 13.101 -6.646 4.263 1.00 74.22 H new ATOM 0 HB2 TRP A 28 12.081 -8.621 5.418 1.00 31.42 H new ATOM 0 HB3 TRP A 28 11.075 -7.534 6.356 1.00 31.42 H new ATOM 0 HD1 TRP A 28 11.747 -8.014 2.522 1.00 71.31 H new ATOM 0 HE1 TRP A 28 9.486 -7.888 1.270 1.00 64.14 H new ATOM 0 HE3 TRP A 28 8.707 -7.175 6.544 1.00 33.31 H new ATOM 0 HZ2 TRP A 28 6.787 -7.484 1.952 1.00 3.01 H new ATOM 0 HZ3 TRP A 28 6.286 -6.929 6.164 1.00 43.31 H new ATOM 0 HH2 TRP A 28 5.341 -7.085 3.897 1.00 2.40 H new ATOM 410 N LEU A 29 11.565 -4.787 6.523 1.00 42.12 N ATOM 411 CA LEU A 29 10.912 -3.499 6.732 1.00 62.22 C ATOM 412 C LEU A 29 11.863 -2.349 6.416 1.00 11.13 C ATOM 413 O LEU A 29 11.439 -1.287 5.957 1.00 64.42 O ATOM 414 CB LEU A 29 10.416 -3.385 8.174 1.00 2.03 C ATOM 415 CG LEU A 29 9.174 -4.205 8.524 1.00 71.11 C ATOM 416 CD1 LEU A 29 9.290 -4.778 9.928 1.00 64.22 C ATOM 417 CD2 LEU A 29 7.919 -3.354 8.396 1.00 43.41 C ATOM 0 H LEU A 29 11.690 -5.339 7.372 1.00 42.12 H new ATOM 0 HA LEU A 29 10.060 -3.437 6.055 1.00 62.22 H new ATOM 0 HB2 LEU A 29 11.225 -3.686 8.840 1.00 2.03 H new ATOM 0 HB3 LEU A 29 10.205 -2.336 8.382 1.00 2.03 H new ATOM 0 HG LEU A 29 9.100 -5.034 7.820 1.00 71.11 H new ATOM 0 HD11 LEU A 29 8.397 -5.358 10.159 1.00 64.22 H new ATOM 0 HD12 LEU A 29 10.167 -5.423 9.987 1.00 64.22 H new ATOM 0 HD13 LEU A 29 9.390 -3.964 10.646 1.00 64.22 H new ATOM 0 HD21 LEU A 29 7.045 -3.954 8.649 1.00 43.41 H new ATOM 0 HD22 LEU A 29 7.985 -2.504 9.076 1.00 43.41 H new ATOM 0 HD23 LEU A 29 7.827 -2.993 7.372 1.00 43.41 H new ATOM 429 N LEU A 30 13.150 -2.567 6.664 1.00 73.13 N ATOM 430 CA LEU A 30 14.162 -1.549 6.404 1.00 61.41 C ATOM 431 C LEU A 30 14.161 -1.143 4.934 1.00 61.34 C ATOM 432 O LEU A 30 14.516 -0.015 4.590 1.00 54.22 O ATOM 433 CB LEU A 30 15.546 -2.065 6.801 1.00 21.54 C ATOM 434 CG LEU A 30 16.350 -1.172 7.747 1.00 53.23 C ATOM 435 CD1 LEU A 30 16.422 0.248 7.207 1.00 71.05 C ATOM 436 CD2 LEU A 30 15.738 -1.184 9.140 1.00 4.32 C ATOM 0 H LEU A 30 13.517 -3.439 7.045 1.00 73.13 H new ATOM 0 HA LEU A 30 13.922 -0.672 7.004 1.00 61.41 H new ATOM 0 HB2 LEU A 30 15.427 -3.042 7.270 1.00 21.54 H new ATOM 0 HB3 LEU A 30 16.130 -2.216 5.893 1.00 21.54 H new ATOM 0 HG LEU A 30 17.364 -1.566 7.814 1.00 53.23 H new ATOM 0 HD11 LEU A 30 16.998 0.869 7.893 1.00 71.05 H new ATOM 0 HD12 LEU A 30 16.906 0.242 6.230 1.00 71.05 H new ATOM 0 HD13 LEU A 30 15.414 0.652 7.110 1.00 71.05 H new ATOM 0 HD21 LEU A 30 16.323 -0.543 9.800 1.00 4.32 H new ATOM 0 HD22 LEU A 30 14.714 -0.815 9.091 1.00 4.32 H new ATOM 0 HD23 LEU A 30 15.739 -2.202 9.529 1.00 4.32 H new ATOM 448 N LEU A 31 13.759 -2.069 4.070 1.00 71.01 N ATOM 449 CA LEU A 31 13.709 -1.807 2.636 1.00 62.23 C ATOM 450 C LEU A 31 12.304 -1.398 2.205 1.00 3.33 C ATOM 451 O LEU A 31 11.983 -1.405 1.017 1.00 13.55 O ATOM 452 CB LEU A 31 14.153 -3.046 1.855 1.00 2.35 C ATOM 453 CG LEU A 31 15.510 -3.634 2.245 1.00 41.51 C ATOM 454 CD1 LEU A 31 15.858 -4.812 1.349 1.00 43.12 C ATOM 455 CD2 LEU A 31 16.594 -2.568 2.172 1.00 13.45 C ATOM 0 H LEU A 31 13.463 -3.008 4.338 1.00 71.01 H new ATOM 0 HA LEU A 31 14.390 -0.984 2.419 1.00 62.23 H new ATOM 0 HB2 LEU A 31 13.395 -3.820 1.978 1.00 2.35 H new ATOM 0 HB3 LEU A 31 14.180 -2.793 0.795 1.00 2.35 H new ATOM 0 HG LEU A 31 15.448 -3.991 3.273 1.00 41.51 H new ATOM 0 HD11 LEU A 31 16.827 -5.218 1.641 1.00 43.12 H new ATOM 0 HD12 LEU A 31 15.096 -5.584 1.451 1.00 43.12 H new ATOM 0 HD13 LEU A 31 15.902 -4.480 0.312 1.00 43.12 H new ATOM 0 HD21 LEU A 31 17.553 -3.004 2.453 1.00 13.45 H new ATOM 0 HD22 LEU A 31 16.655 -2.181 1.155 1.00 13.45 H new ATOM 0 HD23 LEU A 31 16.351 -1.755 2.856 1.00 13.45 H new ATOM 467 N GLN A 32 11.473 -1.040 3.179 1.00 44.10 N ATOM 468 CA GLN A 32 10.103 -0.626 2.900 1.00 45.31 C ATOM 469 C GLN A 32 9.854 0.796 3.392 1.00 35.13 C ATOM 470 O GLN A 32 8.748 1.130 3.819 1.00 51.43 O ATOM 471 CB GLN A 32 9.113 -1.588 3.558 1.00 2.24 C ATOM 472 CG GLN A 32 9.296 -3.035 3.131 1.00 33.33 C ATOM 473 CD GLN A 32 8.543 -3.367 1.858 1.00 63.41 C ATOM 474 OE1 GLN A 32 7.781 -2.549 1.342 1.00 32.34 O ATOM 475 NE2 GLN A 32 8.754 -4.573 1.343 1.00 41.14 N ATOM 0 H GLN A 32 11.724 -1.028 4.167 1.00 44.10 H new ATOM 0 HA GLN A 32 9.956 -0.648 1.820 1.00 45.31 H new ATOM 0 HB2 GLN A 32 9.219 -1.521 4.641 1.00 2.24 H new ATOM 0 HB3 GLN A 32 8.098 -1.272 3.317 1.00 2.24 H new ATOM 0 HG2 GLN A 32 10.357 -3.235 2.984 1.00 33.33 H new ATOM 0 HG3 GLN A 32 8.956 -3.692 3.932 1.00 33.33 H new ATOM 0 HE21 GLN A 32 9.394 -5.219 1.804 1.00 41.14 H new ATOM 0 HE22 GLN A 32 8.276 -4.853 0.487 1.00 41.14 H new ATOM 484 N TYR A 33 10.887 1.628 3.331 1.00 0.01 N ATOM 485 CA TYR A 33 10.780 3.013 3.774 1.00 42.24 C ATOM 486 C TYR A 33 9.687 3.748 3.004 1.00 14.04 C ATOM 487 O TYR A 33 9.124 4.730 3.489 1.00 42.10 O ATOM 488 CB TYR A 33 12.118 3.733 3.593 1.00 72.11 C ATOM 489 CG TYR A 33 12.735 3.530 2.228 1.00 60.14 C ATOM 490 CD1 TYR A 33 12.238 4.194 1.113 1.00 71.41 C ATOM 491 CD2 TYR A 33 13.816 2.675 2.053 1.00 63.23 C ATOM 492 CE1 TYR A 33 12.798 4.010 -0.136 1.00 44.44 C ATOM 493 CE2 TYR A 33 14.384 2.487 0.807 1.00 21.34 C ATOM 494 CZ TYR A 33 13.871 3.156 -0.284 1.00 3.20 C ATOM 495 OH TYR A 33 14.433 2.972 -1.527 1.00 3.25 O ATOM 0 H TYR A 33 11.808 1.368 2.979 1.00 0.01 H new ATOM 0 HA TYR A 33 10.516 3.010 4.832 1.00 42.24 H new ATOM 0 HB2 TYR A 33 11.973 4.800 3.762 1.00 72.11 H new ATOM 0 HB3 TYR A 33 12.816 3.382 4.354 1.00 72.11 H new ATOM 0 HD1 TYR A 33 11.400 4.865 1.225 1.00 71.41 H new ATOM 0 HD2 TYR A 33 14.219 2.148 2.905 1.00 63.23 H new ATOM 0 HE1 TYR A 33 12.398 4.532 -0.992 1.00 44.44 H new ATOM 0 HE2 TYR A 33 15.225 1.820 0.689 1.00 21.34 H new ATOM 0 HH TYR A 33 15.179 2.341 -1.458 1.00 3.25 H new ATOM 505 N ARG A 34 9.390 3.264 1.803 1.00 44.14 N ATOM 506 CA ARG A 34 8.365 3.874 0.965 1.00 71.01 C ATOM 507 C ARG A 34 6.983 3.708 1.590 1.00 12.40 C ATOM 508 O ARG A 34 6.076 4.501 1.334 1.00 31.32 O ATOM 509 CB ARG A 34 8.382 3.253 -0.433 1.00 31.51 C ATOM 510 CG ARG A 34 9.696 3.448 -1.171 1.00 3.34 C ATOM 511 CD ARG A 34 9.492 3.469 -2.677 1.00 71.23 C ATOM 512 NE ARG A 34 9.576 2.132 -3.259 1.00 71.02 N ATOM 513 CZ ARG A 34 9.486 1.891 -4.562 1.00 63.25 C ATOM 514 NH1 ARG A 34 9.311 2.891 -5.415 1.00 4.33 N ATOM 515 NH2 ARG A 34 9.572 0.647 -5.016 1.00 23.44 N ATOM 0 H ARG A 34 9.845 2.451 1.388 1.00 44.14 H new ATOM 0 HA ARG A 34 8.583 4.939 0.884 1.00 71.01 H new ATOM 0 HB2 ARG A 34 8.177 2.186 -0.350 1.00 31.51 H new ATOM 0 HB3 ARG A 34 7.575 3.687 -1.024 1.00 31.51 H new ATOM 0 HG2 ARG A 34 10.158 4.382 -0.852 1.00 3.34 H new ATOM 0 HG3 ARG A 34 10.385 2.646 -0.907 1.00 3.34 H new ATOM 0 HD2 ARG A 34 8.519 3.903 -2.905 1.00 71.23 H new ATOM 0 HD3 ARG A 34 10.243 4.112 -3.136 1.00 71.23 H new ATOM 0 HE ARG A 34 9.711 1.340 -2.630 1.00 71.02 H new ATOM 0 HH11 ARG A 34 9.245 3.849 -5.071 1.00 4.33 H new ATOM 0 HH12 ARG A 34 9.242 2.702 -6.415 1.00 4.33 H new ATOM 0 HH21 ARG A 34 9.707 -0.126 -4.364 1.00 23.44 H new ATOM 0 HH22 ARG A 34 9.503 0.463 -6.017 1.00 23.44 H new ATOM 529 N ASP A 35 6.830 2.674 2.409 1.00 1.15 N ATOM 530 CA ASP A 35 5.559 2.405 3.072 1.00 61.52 C ATOM 531 C ASP A 35 5.584 2.895 4.516 1.00 23.21 C ATOM 532 O ASP A 35 5.135 2.199 5.426 1.00 23.41 O ATOM 533 CB ASP A 35 5.247 0.908 3.034 1.00 62.34 C ATOM 534 CG ASP A 35 5.715 0.251 1.749 1.00 10.45 C ATOM 535 OD1 ASP A 35 6.919 -0.064 1.648 1.00 4.43 O ATOM 536 OD2 ASP A 35 4.877 0.052 0.846 1.00 35.10 O ATOM 0 H ASP A 35 7.570 2.008 2.630 1.00 1.15 H new ATOM 0 HA ASP A 35 4.778 2.945 2.538 1.00 61.52 H new ATOM 0 HB2 ASP A 35 5.724 0.419 3.883 1.00 62.34 H new ATOM 0 HB3 ASP A 35 4.173 0.761 3.143 1.00 62.34 H new ATOM 541 N ALA A 36 6.113 4.097 4.718 1.00 2.14 N ATOM 542 CA ALA A 36 6.196 4.681 6.052 1.00 61.35 C ATOM 543 C ALA A 36 4.826 4.720 6.720 1.00 51.23 C ATOM 544 O ALA A 36 4.604 4.122 7.772 1.00 24.54 O ATOM 545 CB ALA A 36 6.791 6.079 5.979 1.00 12.33 C ATOM 0 H ALA A 36 6.491 4.686 3.975 1.00 2.14 H new ATOM 0 HA ALA A 36 6.848 4.052 6.658 1.00 61.35 H new ATOM 0 HB1 ALA A 36 6.847 6.503 6.981 1.00 12.33 H new ATOM 0 HB2 ALA A 36 7.792 6.027 5.550 1.00 12.33 H new ATOM 0 HB3 ALA A 36 6.161 6.710 5.353 1.00 12.33 H new ATOM 551 N PRO A 37 3.883 5.442 6.096 1.00 2.30 N ATOM 552 CA PRO A 37 2.518 5.577 6.613 1.00 2.22 C ATOM 553 C PRO A 37 1.728 4.277 6.511 1.00 25.22 C ATOM 554 O PRO A 37 0.890 3.979 7.362 1.00 30.21 O ATOM 555 CB PRO A 37 1.902 6.649 5.711 1.00 14.43 C ATOM 556 CG PRO A 37 2.679 6.570 4.443 1.00 40.40 C ATOM 557 CD PRO A 37 4.077 6.182 4.838 1.00 41.23 C ATOM 0 HA PRO A 37 2.507 5.834 7.672 1.00 2.22 H new ATOM 0 HB2 PRO A 37 0.842 6.460 5.538 1.00 14.43 H new ATOM 0 HB3 PRO A 37 1.980 7.638 6.162 1.00 14.43 H new ATOM 0 HG2 PRO A 37 2.246 5.834 3.765 1.00 40.40 H new ATOM 0 HG3 PRO A 37 2.672 7.527 3.921 1.00 40.40 H new ATOM 0 HD2 PRO A 37 4.552 5.563 4.077 1.00 41.23 H new ATOM 0 HD3 PRO A 37 4.712 7.057 4.980 1.00 41.23 H new ATOM 565 N LYS A 38 2.002 3.505 5.465 1.00 74.41 N ATOM 566 CA LYS A 38 1.318 2.234 5.252 1.00 43.33 C ATOM 567 C LYS A 38 1.640 1.249 6.371 1.00 51.02 C ATOM 568 O LYS A 38 0.740 0.713 7.017 1.00 32.21 O ATOM 569 CB LYS A 38 1.719 1.637 3.901 1.00 73.21 C ATOM 570 CG LYS A 38 0.755 1.975 2.777 1.00 71.33 C ATOM 571 CD LYS A 38 -0.482 1.093 2.818 1.00 24.41 C ATOM 572 CE LYS A 38 -0.309 -0.150 1.958 1.00 50.22 C ATOM 573 NZ LYS A 38 -1.402 -1.136 2.183 1.00 63.34 N ATOM 0 H LYS A 38 2.693 3.737 4.751 1.00 74.41 H new ATOM 0 HA LYS A 38 0.244 2.422 5.255 1.00 43.33 H new ATOM 0 HB2 LYS A 38 2.714 1.995 3.636 1.00 73.21 H new ATOM 0 HB3 LYS A 38 1.786 0.553 3.997 1.00 73.21 H new ATOM 0 HG2 LYS A 38 0.459 3.021 2.853 1.00 71.33 H new ATOM 0 HG3 LYS A 38 1.257 1.854 1.817 1.00 71.33 H new ATOM 0 HD2 LYS A 38 -0.687 0.799 3.847 1.00 24.41 H new ATOM 0 HD3 LYS A 38 -1.346 1.660 2.471 1.00 24.41 H new ATOM 0 HE2 LYS A 38 -0.288 0.136 0.906 1.00 50.22 H new ATOM 0 HE3 LYS A 38 0.651 -0.615 2.181 1.00 50.22 H new ATOM 0 HZ1 LYS A 38 -0.991 -2.075 2.360 1.00 63.34 H new ATOM 0 HZ2 LYS A 38 -1.968 -0.845 3.006 1.00 63.34 H new ATOM 0 HZ3 LYS A 38 -2.011 -1.177 1.341 1.00 63.34 H new ATOM 587 N VAL A 39 2.929 1.016 6.596 1.00 62.14 N ATOM 588 CA VAL A 39 3.369 0.097 7.639 1.00 44.15 C ATOM 589 C VAL A 39 2.922 0.574 9.016 1.00 71.23 C ATOM 590 O VAL A 39 2.562 -0.230 9.875 1.00 3.14 O ATOM 591 CB VAL A 39 4.901 -0.063 7.636 1.00 44.14 C ATOM 592 CG1 VAL A 39 5.344 -0.985 8.762 1.00 43.45 C ATOM 593 CG2 VAL A 39 5.380 -0.585 6.289 1.00 15.30 C ATOM 0 H VAL A 39 3.687 1.451 6.070 1.00 62.14 H new ATOM 0 HA VAL A 39 2.910 -0.868 7.425 1.00 44.15 H new ATOM 0 HB VAL A 39 5.351 0.916 7.802 1.00 44.14 H new ATOM 0 HG11 VAL A 39 6.429 -1.086 8.744 1.00 43.45 H new ATOM 0 HG12 VAL A 39 5.034 -0.565 9.719 1.00 43.45 H new ATOM 0 HG13 VAL A 39 4.886 -1.965 8.631 1.00 43.45 H new ATOM 0 HG21 VAL A 39 6.465 -0.692 6.305 1.00 15.30 H new ATOM 0 HG22 VAL A 39 4.923 -1.554 6.091 1.00 15.30 H new ATOM 0 HG23 VAL A 39 5.096 0.117 5.505 1.00 15.30 H new ATOM 603 N ALA A 40 2.946 1.887 9.218 1.00 41.11 N ATOM 604 CA ALA A 40 2.540 2.472 10.490 1.00 63.21 C ATOM 605 C ALA A 40 1.072 2.183 10.783 1.00 20.04 C ATOM 606 O ALA A 40 0.737 1.625 11.828 1.00 60.04 O ATOM 607 CB ALA A 40 2.795 3.972 10.486 1.00 34.13 C ATOM 0 H ALA A 40 3.242 2.566 8.517 1.00 41.11 H new ATOM 0 HA ALA A 40 3.137 2.016 11.279 1.00 63.21 H new ATOM 0 HB1 ALA A 40 2.487 4.396 11.442 1.00 34.13 H new ATOM 0 HB2 ALA A 40 3.857 4.160 10.331 1.00 34.13 H new ATOM 0 HB3 ALA A 40 2.223 4.436 9.682 1.00 34.13 H new ATOM 613 N GLU A 41 0.201 2.567 9.855 1.00 0.35 N ATOM 614 CA GLU A 41 -1.232 2.350 10.017 1.00 2.21 C ATOM 615 C GLU A 41 -1.554 0.859 10.069 1.00 42.44 C ATOM 616 O GLU A 41 -2.414 0.426 10.834 1.00 74.20 O ATOM 617 CB GLU A 41 -2.003 3.010 8.872 1.00 45.31 C ATOM 618 CG GLU A 41 -3.506 2.806 8.953 1.00 60.14 C ATOM 619 CD GLU A 41 -4.158 3.683 10.004 1.00 74.14 C ATOM 620 OE1 GLU A 41 -4.196 3.268 11.181 1.00 1.42 O ATOM 621 OE2 GLU A 41 -4.631 4.783 9.649 1.00 34.30 O ATOM 0 H GLU A 41 0.462 3.029 8.984 1.00 0.35 H new ATOM 0 HA GLU A 41 -1.538 2.803 10.960 1.00 2.21 H new ATOM 0 HB2 GLU A 41 -1.790 4.079 8.870 1.00 45.31 H new ATOM 0 HB3 GLU A 41 -1.641 2.611 7.924 1.00 45.31 H new ATOM 0 HG2 GLU A 41 -3.951 3.019 7.981 1.00 60.14 H new ATOM 0 HG3 GLU A 41 -3.715 1.760 9.177 1.00 60.14 H new ATOM 628 N MET A 42 -0.856 0.081 9.248 1.00 75.22 N ATOM 629 CA MET A 42 -1.067 -1.361 9.200 1.00 34.40 C ATOM 630 C MET A 42 -0.672 -2.013 10.522 1.00 52.35 C ATOM 631 O MET A 42 -1.446 -2.771 11.106 1.00 11.43 O ATOM 632 CB MET A 42 -0.264 -1.978 8.054 1.00 62.24 C ATOM 633 CG MET A 42 0.018 -3.461 8.238 1.00 51.44 C ATOM 634 SD MET A 42 -1.486 -4.432 8.453 1.00 1.33 S ATOM 635 CE MET A 42 -0.923 -5.674 9.614 1.00 21.21 C ATOM 0 H MET A 42 -0.140 0.425 8.608 1.00 75.22 H new ATOM 0 HA MET A 42 -2.128 -1.542 9.029 1.00 34.40 H new ATOM 0 HB2 MET A 42 -0.808 -1.833 7.121 1.00 62.24 H new ATOM 0 HB3 MET A 42 0.682 -1.446 7.957 1.00 62.24 H new ATOM 0 HG2 MET A 42 0.565 -3.833 7.372 1.00 51.44 H new ATOM 0 HG3 MET A 42 0.663 -3.599 9.106 1.00 51.44 H new ATOM 0 HE1 MET A 42 -1.709 -6.414 9.765 1.00 21.21 H new ATOM 0 HE2 MET A 42 -0.034 -6.165 9.219 1.00 21.21 H new ATOM 0 HE3 MET A 42 -0.683 -5.200 10.566 1.00 21.21 H new ATOM 645 N TRP A 43 0.535 -1.713 10.986 1.00 44.24 N ATOM 646 CA TRP A 43 1.033 -2.270 12.238 1.00 33.14 C ATOM 647 C TRP A 43 0.165 -1.829 13.412 1.00 25.34 C ATOM 648 O TRP A 43 -0.263 -2.650 14.224 1.00 60.43 O ATOM 649 CB TRP A 43 2.483 -1.843 12.471 1.00 52.54 C ATOM 650 CG TRP A 43 3.087 -2.438 13.706 1.00 0.02 C ATOM 651 CD1 TRP A 43 3.684 -3.661 13.819 1.00 20.00 C ATOM 652 CD2 TRP A 43 3.151 -1.837 15.004 1.00 12.11 C ATOM 653 NE1 TRP A 43 4.115 -3.857 15.109 1.00 1.40 N ATOM 654 CE2 TRP A 43 3.801 -2.752 15.855 1.00 12.14 C ATOM 655 CE3 TRP A 43 2.724 -0.614 15.530 1.00 61.44 C ATOM 656 CZ2 TRP A 43 4.032 -2.481 17.202 1.00 75.15 C ATOM 657 CZ3 TRP A 43 2.954 -0.347 16.866 1.00 74.32 C ATOM 658 CH2 TRP A 43 3.603 -1.276 17.689 1.00 21.54 C ATOM 0 H TRP A 43 1.187 -1.087 10.514 1.00 44.24 H new ATOM 0 HA TRP A 43 0.990 -3.357 12.166 1.00 33.14 H new ATOM 0 HB2 TRP A 43 3.082 -2.131 11.607 1.00 52.54 H new ATOM 0 HB3 TRP A 43 2.527 -0.756 12.541 1.00 52.54 H new ATOM 0 HD1 TRP A 43 3.800 -4.370 13.013 1.00 20.00 H new ATOM 0 HE1 TRP A 43 4.591 -4.690 15.455 1.00 1.40 H new ATOM 0 HE3 TRP A 43 2.223 0.109 14.903 1.00 61.44 H new ATOM 0 HZ2 TRP A 43 4.532 -3.196 17.839 1.00 75.15 H new ATOM 0 HZ3 TRP A 43 2.628 0.594 17.283 1.00 74.32 H new ATOM 0 HH2 TRP A 43 3.768 -1.037 18.729 1.00 21.54 H new ATOM 669 N LYS A 44 -0.090 -0.528 13.498 1.00 74.32 N ATOM 670 CA LYS A 44 -0.908 0.022 14.572 1.00 12.30 C ATOM 671 C LYS A 44 -2.292 -0.620 14.586 1.00 2.41 C ATOM 672 O LYS A 44 -2.735 -1.136 15.611 1.00 14.01 O ATOM 673 CB LYS A 44 -1.039 1.539 14.415 1.00 74.11 C ATOM 674 CG LYS A 44 -1.845 2.198 15.521 1.00 32.52 C ATOM 675 CD LYS A 44 -2.689 3.344 14.990 1.00 60.03 C ATOM 676 CE LYS A 44 -3.921 2.836 14.256 1.00 2.02 C ATOM 677 NZ LYS A 44 -4.952 3.900 14.101 1.00 65.54 N ATOM 0 H LYS A 44 0.258 0.166 12.836 1.00 74.32 H new ATOM 0 HA LYS A 44 -0.416 -0.198 15.519 1.00 12.30 H new ATOM 0 HB2 LYS A 44 -0.043 1.981 14.391 1.00 74.11 H new ATOM 0 HB3 LYS A 44 -1.508 1.757 13.456 1.00 74.11 H new ATOM 0 HG2 LYS A 44 -2.491 1.457 15.992 1.00 32.52 H new ATOM 0 HG3 LYS A 44 -1.170 2.569 16.292 1.00 32.52 H new ATOM 0 HD2 LYS A 44 -2.995 3.985 15.817 1.00 60.03 H new ATOM 0 HD3 LYS A 44 -2.090 3.957 14.316 1.00 60.03 H new ATOM 0 HE2 LYS A 44 -3.631 2.465 13.273 1.00 2.02 H new ATOM 0 HE3 LYS A 44 -4.347 1.994 14.801 1.00 2.02 H new ATOM 0 HZ1 LYS A 44 -5.846 3.582 14.527 1.00 65.54 H new ATOM 0 HZ2 LYS A 44 -4.631 4.767 14.578 1.00 65.54 H new ATOM 0 HZ3 LYS A 44 -5.100 4.095 13.090 1.00 65.54 H new ATOM 691 N GLU A 45 -2.967 -0.584 13.442 1.00 75.12 N ATOM 692 CA GLU A 45 -4.300 -1.163 13.324 1.00 35.42 C ATOM 693 C GLU A 45 -4.308 -2.612 13.803 1.00 71.41 C ATOM 694 O GLU A 45 -5.167 -3.013 14.589 1.00 61.42 O ATOM 695 CB GLU A 45 -4.786 -1.091 11.875 1.00 32.01 C ATOM 696 CG GLU A 45 -5.380 0.256 11.499 1.00 51.02 C ATOM 697 CD GLU A 45 -6.808 0.420 11.982 1.00 21.35 C ATOM 698 OE1 GLU A 45 -7.176 -0.235 12.980 1.00 61.44 O ATOM 699 OE2 GLU A 45 -7.557 1.204 11.363 1.00 31.12 O ATOM 0 H GLU A 45 -2.613 -0.160 12.584 1.00 75.12 H new ATOM 0 HA GLU A 45 -4.976 -0.586 13.955 1.00 35.42 H new ATOM 0 HB2 GLU A 45 -3.951 -1.309 11.209 1.00 32.01 H new ATOM 0 HB3 GLU A 45 -5.534 -1.867 11.713 1.00 32.01 H new ATOM 0 HG2 GLU A 45 -4.764 1.051 11.921 1.00 51.02 H new ATOM 0 HG3 GLU A 45 -5.351 0.372 10.416 1.00 51.02 H new ATOM 706 N TYR A 46 -3.346 -3.393 13.323 1.00 12.40 N ATOM 707 CA TYR A 46 -3.243 -4.798 13.699 1.00 40.33 C ATOM 708 C TYR A 46 -2.981 -4.944 15.195 1.00 53.23 C ATOM 709 O TYR A 46 -3.513 -5.844 15.844 1.00 40.11 O ATOM 710 CB TYR A 46 -2.126 -5.479 12.905 1.00 15.35 C ATOM 711 CG TYR A 46 -1.720 -6.824 13.464 1.00 14.22 C ATOM 712 CD1 TYR A 46 -0.725 -6.926 14.428 1.00 62.22 C ATOM 713 CD2 TYR A 46 -2.333 -7.992 13.029 1.00 75.40 C ATOM 714 CE1 TYR A 46 -0.350 -8.153 14.940 1.00 32.13 C ATOM 715 CE2 TYR A 46 -1.966 -9.224 13.537 1.00 14.50 C ATOM 716 CZ TYR A 46 -0.974 -9.299 14.492 1.00 0.30 C ATOM 717 OH TYR A 46 -0.605 -10.523 15.001 1.00 3.41 O ATOM 0 H TYR A 46 -2.627 -3.077 12.673 1.00 12.40 H new ATOM 0 HA TYR A 46 -4.192 -5.281 13.466 1.00 40.33 H new ATOM 0 HB2 TYR A 46 -2.451 -5.607 11.873 1.00 15.35 H new ATOM 0 HB3 TYR A 46 -1.254 -4.825 12.886 1.00 15.35 H new ATOM 0 HD1 TYR A 46 -0.236 -6.031 14.783 1.00 62.22 H new ATOM 0 HD2 TYR A 46 -3.110 -7.937 12.281 1.00 75.40 H new ATOM 0 HE1 TYR A 46 0.428 -8.215 15.687 1.00 32.13 H new ATOM 0 HE2 TYR A 46 -2.453 -10.122 13.188 1.00 14.50 H new ATOM 0 HH TYR A 46 -0.419 -11.141 14.264 1.00 3.41 H new ATOM 727 N MET A 47 -2.158 -4.051 15.735 1.00 54.23 N ATOM 728 CA MET A 47 -1.827 -4.078 17.155 1.00 61.34 C ATOM 729 C MET A 47 -3.015 -3.629 17.999 1.00 0.30 C ATOM 730 O MET A 47 -3.107 -3.955 19.183 1.00 22.03 O ATOM 731 CB MET A 47 -0.619 -3.183 17.435 1.00 3.35 C ATOM 732 CG MET A 47 0.669 -3.684 16.803 1.00 25.22 C ATOM 733 SD MET A 47 1.508 -4.916 17.819 1.00 41.34 S ATOM 734 CE MET A 47 2.004 -3.918 19.221 1.00 43.54 C ATOM 0 H MET A 47 -1.708 -3.300 15.211 1.00 54.23 H new ATOM 0 HA MET A 47 -1.580 -5.104 17.426 1.00 61.34 H new ATOM 0 HB2 MET A 47 -0.828 -2.179 17.066 1.00 3.35 H new ATOM 0 HB3 MET A 47 -0.478 -3.104 18.513 1.00 3.35 H new ATOM 0 HG2 MET A 47 0.447 -4.114 15.827 1.00 25.22 H new ATOM 0 HG3 MET A 47 1.339 -2.841 16.635 1.00 25.22 H new ATOM 0 HE1 MET A 47 3.067 -4.065 19.415 1.00 43.54 H new ATOM 0 HE2 MET A 47 1.817 -2.866 19.003 1.00 43.54 H new ATOM 0 HE3 MET A 47 1.431 -4.214 20.099 1.00 43.54 H new ATOM 744 N LEU A 48 -3.922 -2.879 17.384 1.00 52.54 N ATOM 745 CA LEU A 48 -5.105 -2.384 18.079 1.00 13.23 C ATOM 746 C LEU A 48 -6.323 -3.248 17.766 1.00 45.34 C ATOM 747 O LEU A 48 -7.453 -2.761 17.746 1.00 11.01 O ATOM 748 CB LEU A 48 -5.382 -0.931 17.687 1.00 63.41 C ATOM 749 CG LEU A 48 -4.302 0.083 18.065 1.00 11.33 C ATOM 750 CD1 LEU A 48 -4.643 1.457 17.510 1.00 42.42 C ATOM 751 CD2 LEU A 48 -4.133 0.144 19.576 1.00 32.34 C ATOM 0 H LEU A 48 -3.861 -2.600 16.405 1.00 52.54 H new ATOM 0 HA LEU A 48 -4.913 -2.434 19.151 1.00 13.23 H new ATOM 0 HB2 LEU A 48 -5.530 -0.889 16.608 1.00 63.41 H new ATOM 0 HB3 LEU A 48 -6.319 -0.623 18.150 1.00 63.41 H new ATOM 0 HG LEU A 48 -3.358 -0.240 17.626 1.00 11.33 H new ATOM 0 HD11 LEU A 48 -3.863 2.166 17.789 1.00 42.42 H new ATOM 0 HD12 LEU A 48 -4.713 1.403 16.424 1.00 42.42 H new ATOM 0 HD13 LEU A 48 -5.598 1.788 17.919 1.00 42.42 H new ATOM 0 HD21 LEU A 48 -3.360 0.871 19.827 1.00 32.34 H new ATOM 0 HD22 LEU A 48 -5.075 0.443 20.036 1.00 32.34 H new ATOM 0 HD23 LEU A 48 -3.842 -0.838 19.950 1.00 32.34 H new ATOM 763 N ARG A 49 -6.083 -4.532 17.523 1.00 73.33 N ATOM 764 CA ARG A 49 -7.160 -5.464 17.211 1.00 31.41 C ATOM 765 C ARG A 49 -7.384 -6.441 18.362 1.00 10.22 C ATOM 766 O ARG A 49 -6.452 -6.838 19.062 1.00 72.11 O ATOM 767 CB ARG A 49 -6.841 -6.235 15.929 1.00 61.40 C ATOM 768 CG ARG A 49 -7.484 -5.643 14.686 1.00 75.21 C ATOM 769 CD ARG A 49 -6.993 -6.332 13.422 1.00 3.52 C ATOM 770 NE ARG A 49 -7.971 -6.253 12.340 1.00 5.13 N ATOM 771 CZ ARG A 49 -7.675 -6.476 11.065 1.00 64.13 C ATOM 772 NH1 ARG A 49 -6.435 -6.791 10.713 1.00 14.44 N ATOM 773 NH2 ARG A 49 -8.619 -6.385 10.137 1.00 35.55 N ATOM 0 H ARG A 49 -5.153 -4.951 17.536 1.00 73.33 H new ATOM 0 HA ARG A 49 -8.073 -4.888 17.063 1.00 31.41 H new ATOM 0 HB2 ARG A 49 -5.760 -6.262 15.791 1.00 61.40 H new ATOM 0 HB3 ARG A 49 -7.173 -7.267 16.043 1.00 61.40 H new ATOM 0 HG2 ARG A 49 -8.568 -5.738 14.756 1.00 75.21 H new ATOM 0 HG3 ARG A 49 -7.260 -4.578 14.631 1.00 75.21 H new ATOM 0 HD2 ARG A 49 -6.058 -5.874 13.099 1.00 3.52 H new ATOM 0 HD3 ARG A 49 -6.777 -7.378 13.640 1.00 3.52 H new ATOM 0 HE ARG A 49 -8.934 -6.013 12.577 1.00 5.13 H new ATOM 0 HH11 ARG A 49 -5.706 -6.862 11.423 1.00 14.44 H new ATOM 0 HH12 ARG A 49 -6.211 -6.962 9.733 1.00 14.44 H new ATOM 0 HH21 ARG A 49 -9.574 -6.143 10.403 1.00 35.55 H new ATOM 0 HH22 ARG A 49 -8.390 -6.557 9.158 1.00 35.55 H new ATOM 787 N PRO A 50 -8.649 -6.837 18.565 1.00 74.14 N ATOM 788 CA PRO A 50 -9.025 -7.771 19.630 1.00 74.43 C ATOM 789 C PRO A 50 -8.521 -9.186 19.365 1.00 54.04 C ATOM 790 O PRO A 50 -7.980 -9.839 20.256 1.00 23.41 O ATOM 791 CB PRO A 50 -10.556 -7.736 19.608 1.00 24.24 C ATOM 792 CG PRO A 50 -10.906 -7.331 18.218 1.00 1.55 C ATOM 793 CD PRO A 50 -9.810 -6.404 17.769 1.00 53.10 C ATOM 0 HA PRO A 50 -8.592 -7.490 20.590 1.00 74.43 H new ATOM 0 HB2 PRO A 50 -10.978 -8.710 19.854 1.00 24.24 H new ATOM 0 HB3 PRO A 50 -10.946 -7.026 20.337 1.00 24.24 H new ATOM 0 HG2 PRO A 50 -10.975 -8.200 17.564 1.00 1.55 H new ATOM 0 HG3 PRO A 50 -11.875 -6.833 18.189 1.00 1.55 H new ATOM 0 HD2 PRO A 50 -9.620 -6.495 16.699 1.00 53.10 H new ATOM 0 HD3 PRO A 50 -10.062 -5.361 17.961 1.00 53.10 H new ATOM 801 N SER A 51 -8.703 -9.653 18.133 1.00 1.14 N ATOM 802 CA SER A 51 -8.269 -10.992 17.752 1.00 12.11 C ATOM 803 C SER A 51 -6.823 -11.235 18.172 1.00 44.52 C ATOM 804 O SER A 51 -6.449 -12.349 18.539 1.00 11.52 O ATOM 805 CB SER A 51 -8.413 -11.187 16.241 1.00 14.35 C ATOM 806 OG SER A 51 -7.696 -12.328 15.804 1.00 51.23 O ATOM 0 H SER A 51 -9.148 -9.124 17.383 1.00 1.14 H new ATOM 0 HA SER A 51 -8.904 -11.713 18.267 1.00 12.11 H new ATOM 0 HB2 SER A 51 -9.467 -11.295 15.984 1.00 14.35 H new ATOM 0 HB3 SER A 51 -8.047 -10.302 15.720 1.00 14.35 H new ATOM 0 HG SER A 51 -7.805 -12.432 14.836 1.00 51.23 H new ATOM 812 N VAL A 52 -6.012 -10.183 18.114 1.00 0.43 N ATOM 813 CA VAL A 52 -4.606 -10.279 18.489 1.00 73.30 C ATOM 814 C VAL A 52 -4.454 -10.618 19.968 1.00 43.33 C ATOM 815 O VAL A 52 -5.264 -10.204 20.796 1.00 4.01 O ATOM 816 CB VAL A 52 -3.855 -8.967 18.194 1.00 72.43 C ATOM 817 CG1 VAL A 52 -2.360 -9.149 18.403 1.00 24.35 C ATOM 818 CG2 VAL A 52 -4.150 -8.492 16.779 1.00 65.31 C ATOM 0 H VAL A 52 -6.305 -9.254 17.811 1.00 0.43 H new ATOM 0 HA VAL A 52 -4.172 -11.079 17.889 1.00 73.30 H new ATOM 0 HB VAL A 52 -4.204 -8.204 18.890 1.00 72.43 H new ATOM 0 HG11 VAL A 52 -1.846 -8.212 18.190 1.00 24.35 H new ATOM 0 HG12 VAL A 52 -2.170 -9.440 19.436 1.00 24.35 H new ATOM 0 HG13 VAL A 52 -1.991 -9.926 17.733 1.00 24.35 H new ATOM 0 HG21 VAL A 52 -3.612 -7.564 16.587 1.00 65.31 H new ATOM 0 HG22 VAL A 52 -3.830 -9.252 16.066 1.00 65.31 H new ATOM 0 HG23 VAL A 52 -5.221 -8.320 16.669 1.00 65.31 H new ATOM 828 N ASN A 53 -3.409 -11.373 20.292 1.00 40.34 N ATOM 829 CA ASN A 53 -3.150 -11.767 21.671 1.00 24.34 C ATOM 830 C ASN A 53 -2.035 -10.921 22.279 1.00 14.40 C ATOM 831 O ASN A 53 -1.378 -10.146 21.583 1.00 71.02 O ATOM 832 CB ASN A 53 -2.774 -13.249 21.738 1.00 3.10 C ATOM 833 CG ASN A 53 -3.964 -14.134 22.053 1.00 12.24 C ATOM 834 OD1 ASN A 53 -4.104 -14.631 23.171 1.00 5.31 O ATOM 835 ND2 ASN A 53 -4.830 -14.335 21.067 1.00 43.15 N ATOM 0 H ASN A 53 -2.728 -11.724 19.618 1.00 40.34 H new ATOM 0 HA ASN A 53 -4.061 -11.603 22.246 1.00 24.34 H new ATOM 0 HB2 ASN A 53 -2.340 -13.554 20.786 1.00 3.10 H new ATOM 0 HB3 ASN A 53 -2.007 -13.392 22.499 1.00 3.10 H new ATOM 0 HD21 ASN A 53 -5.651 -14.921 21.221 1.00 43.15 H new ATOM 0 HD22 ASN A 53 -4.675 -13.903 20.156 1.00 43.15 H new ATOM 842 N THR A 54 -1.827 -11.074 23.583 1.00 11.22 N ATOM 843 CA THR A 54 -0.793 -10.324 24.285 1.00 14.14 C ATOM 844 C THR A 54 0.590 -10.646 23.733 1.00 5.21 C ATOM 845 O THR A 54 1.373 -9.745 23.431 1.00 64.11 O ATOM 846 CB THR A 54 -0.812 -10.621 25.797 1.00 74.13 C ATOM 847 OG1 THR A 54 -2.022 -11.303 26.147 1.00 51.33 O ATOM 848 CG2 THR A 54 -0.697 -9.336 26.602 1.00 13.14 C ATOM 0 H THR A 54 -2.361 -11.711 24.174 1.00 11.22 H new ATOM 0 HA THR A 54 -1.007 -9.267 24.127 1.00 14.14 H new ATOM 0 HB THR A 54 0.043 -11.255 26.031 1.00 74.13 H new ATOM 0 HG1 THR A 54 -2.026 -11.490 27.109 1.00 51.33 H new ATOM 0 HG21 THR A 54 -0.713 -9.571 27.666 1.00 13.14 H new ATOM 0 HG22 THR A 54 0.239 -8.834 26.355 1.00 13.14 H new ATOM 0 HG23 THR A 54 -1.534 -8.681 26.363 1.00 13.14 H new ATOM 856 N ARG A 55 0.885 -11.935 23.603 1.00 24.11 N ATOM 857 CA ARG A 55 2.176 -12.375 23.087 1.00 31.42 C ATOM 858 C ARG A 55 2.465 -11.739 21.731 1.00 3.51 C ATOM 859 O ARG A 55 3.559 -11.224 21.497 1.00 53.24 O ATOM 860 CB ARG A 55 2.207 -13.900 22.964 1.00 54.13 C ATOM 861 CG ARG A 55 2.744 -14.601 24.201 1.00 43.53 C ATOM 862 CD ARG A 55 3.139 -16.038 23.899 1.00 3.24 C ATOM 863 NE ARG A 55 3.673 -16.717 25.077 1.00 33.10 N ATOM 864 CZ ARG A 55 4.372 -17.845 25.021 1.00 74.40 C ATOM 865 NH1 ARG A 55 4.620 -18.417 23.851 1.00 24.51 N ATOM 866 NH2 ARG A 55 4.824 -18.403 26.137 1.00 73.32 N ATOM 0 H ARG A 55 0.248 -12.693 23.848 1.00 24.11 H new ATOM 0 HA ARG A 55 2.947 -12.058 23.789 1.00 31.42 H new ATOM 0 HB2 ARG A 55 1.198 -14.260 22.762 1.00 54.13 H new ATOM 0 HB3 ARG A 55 2.821 -14.174 22.106 1.00 54.13 H new ATOM 0 HG2 ARG A 55 3.608 -14.057 24.582 1.00 43.53 H new ATOM 0 HG3 ARG A 55 1.987 -14.588 24.986 1.00 43.53 H new ATOM 0 HD2 ARG A 55 2.270 -16.583 23.529 1.00 3.24 H new ATOM 0 HD3 ARG A 55 3.885 -16.050 23.104 1.00 3.24 H new ATOM 0 HE ARG A 55 3.500 -16.302 25.993 1.00 33.10 H new ATOM 0 HH11 ARG A 55 4.274 -17.991 22.991 1.00 24.51 H new ATOM 0 HH12 ARG A 55 5.157 -19.283 23.810 1.00 24.51 H new ATOM 0 HH21 ARG A 55 4.635 -17.966 27.039 1.00 73.32 H new ATOM 0 HH22 ARG A 55 5.361 -19.269 26.093 1.00 73.32 H new ATOM 880 N ARG A 56 1.478 -11.778 20.842 1.00 43.00 N ATOM 881 CA ARG A 56 1.627 -11.207 19.509 1.00 4.40 C ATOM 882 C ARG A 56 2.086 -9.754 19.589 1.00 44.54 C ATOM 883 O ARG A 56 3.036 -9.353 18.915 1.00 70.00 O ATOM 884 CB ARG A 56 0.306 -11.294 18.743 1.00 63.03 C ATOM 885 CG ARG A 56 -0.368 -12.652 18.844 1.00 20.43 C ATOM 886 CD ARG A 56 0.618 -13.784 18.596 1.00 54.52 C ATOM 887 NE ARG A 56 1.448 -13.537 17.420 1.00 22.41 N ATOM 888 CZ ARG A 56 2.475 -14.305 17.072 1.00 73.23 C ATOM 889 NH1 ARG A 56 2.795 -15.362 17.805 1.00 70.41 N ATOM 890 NH2 ARG A 56 3.183 -14.016 15.988 1.00 70.25 N ATOM 0 H ARG A 56 0.566 -12.199 21.021 1.00 43.00 H new ATOM 0 HA ARG A 56 2.386 -11.782 18.977 1.00 4.40 H new ATOM 0 HB2 ARG A 56 -0.374 -10.531 19.121 1.00 63.03 H new ATOM 0 HB3 ARG A 56 0.489 -11.066 17.693 1.00 63.03 H new ATOM 0 HG2 ARG A 56 -0.813 -12.766 19.832 1.00 20.43 H new ATOM 0 HG3 ARG A 56 -1.181 -12.711 18.120 1.00 20.43 H new ATOM 0 HD2 ARG A 56 1.256 -13.907 19.471 1.00 54.52 H new ATOM 0 HD3 ARG A 56 0.072 -14.718 18.465 1.00 54.52 H new ATOM 0 HE ARG A 56 1.227 -12.732 16.834 1.00 22.41 H new ATOM 0 HH11 ARG A 56 2.252 -15.588 18.639 1.00 70.41 H new ATOM 0 HH12 ARG A 56 3.584 -15.950 17.535 1.00 70.41 H new ATOM 0 HH21 ARG A 56 2.939 -13.204 15.421 1.00 70.25 H new ATOM 0 HH22 ARG A 56 3.971 -14.606 15.721 1.00 70.25 H new ATOM 904 N LYS A 57 1.406 -8.968 20.416 1.00 14.01 N ATOM 905 CA LYS A 57 1.742 -7.559 20.586 1.00 65.55 C ATOM 906 C LYS A 57 3.173 -7.399 21.090 1.00 31.12 C ATOM 907 O LYS A 57 3.932 -6.571 20.584 1.00 74.33 O ATOM 908 CB LYS A 57 0.769 -6.895 21.561 1.00 14.31 C ATOM 909 CG LYS A 57 -0.687 -7.012 21.143 1.00 63.53 C ATOM 910 CD LYS A 57 -1.479 -5.774 21.526 1.00 11.03 C ATOM 911 CE LYS A 57 -2.977 -6.028 21.459 1.00 53.10 C ATOM 912 NZ LYS A 57 -3.532 -6.428 22.782 1.00 50.12 N ATOM 0 H LYS A 57 0.617 -9.283 20.980 1.00 14.01 H new ATOM 0 HA LYS A 57 1.661 -7.072 19.614 1.00 65.55 H new ATOM 0 HB2 LYS A 57 0.892 -7.344 22.546 1.00 14.31 H new ATOM 0 HB3 LYS A 57 1.027 -5.840 21.657 1.00 14.31 H new ATOM 0 HG2 LYS A 57 -0.746 -7.163 20.065 1.00 63.53 H new ATOM 0 HG3 LYS A 57 -1.132 -7.889 21.613 1.00 63.53 H new ATOM 0 HD2 LYS A 57 -1.206 -5.464 22.535 1.00 11.03 H new ATOM 0 HD3 LYS A 57 -1.218 -4.953 20.859 1.00 11.03 H new ATOM 0 HE2 LYS A 57 -3.483 -5.128 21.110 1.00 53.10 H new ATOM 0 HE3 LYS A 57 -3.180 -6.811 20.728 1.00 53.10 H new ATOM 0 HZ1 LYS A 57 -4.555 -6.592 22.694 1.00 50.12 H new ATOM 0 HZ2 LYS A 57 -3.068 -7.301 23.103 1.00 50.12 H new ATOM 0 HZ3 LYS A 57 -3.361 -5.670 23.474 1.00 50.12 H new ATOM 926 N LEU A 58 3.536 -8.196 22.089 1.00 32.11 N ATOM 927 CA LEU A 58 4.877 -8.144 22.661 1.00 14.44 C ATOM 928 C LEU A 58 5.938 -8.278 21.574 1.00 3.44 C ATOM 929 O LEU A 58 6.899 -7.508 21.532 1.00 61.03 O ATOM 930 CB LEU A 58 5.052 -9.252 23.701 1.00 4.42 C ATOM 931 CG LEU A 58 6.366 -9.236 24.483 1.00 65.10 C ATOM 932 CD1 LEU A 58 7.486 -9.849 23.657 1.00 64.13 C ATOM 933 CD2 LEU A 58 6.723 -7.816 24.898 1.00 22.33 C ATOM 0 H LEU A 58 2.920 -8.886 22.520 1.00 32.11 H new ATOM 0 HA LEU A 58 5.001 -7.176 23.146 1.00 14.44 H new ATOM 0 HB2 LEU A 58 4.228 -9.189 24.412 1.00 4.42 H new ATOM 0 HB3 LEU A 58 4.964 -10.214 23.196 1.00 4.42 H new ATOM 0 HG LEU A 58 6.237 -9.835 25.385 1.00 65.10 H new ATOM 0 HD11 LEU A 58 8.413 -9.829 24.230 1.00 64.13 H new ATOM 0 HD12 LEU A 58 7.234 -10.880 23.411 1.00 64.13 H new ATOM 0 HD13 LEU A 58 7.615 -9.278 22.738 1.00 64.13 H new ATOM 0 HD21 LEU A 58 7.661 -7.824 25.453 1.00 22.33 H new ATOM 0 HD22 LEU A 58 6.833 -7.194 24.010 1.00 22.33 H new ATOM 0 HD23 LEU A 58 5.931 -7.411 25.529 1.00 22.33 H new ATOM 945 N LEU A 59 5.758 -9.258 20.696 1.00 13.31 N ATOM 946 CA LEU A 59 6.699 -9.492 19.606 1.00 11.53 C ATOM 947 C LEU A 59 6.714 -8.313 18.638 1.00 60.44 C ATOM 948 O LEU A 59 7.776 -7.828 18.251 1.00 63.45 O ATOM 949 CB LEU A 59 6.336 -10.776 18.859 1.00 33.13 C ATOM 950 CG LEU A 59 7.094 -12.035 19.281 1.00 44.02 C ATOM 951 CD1 LEU A 59 6.632 -13.234 18.468 1.00 62.14 C ATOM 952 CD2 LEU A 59 8.594 -11.830 19.127 1.00 24.20 C ATOM 0 H LEU A 59 4.969 -9.904 20.717 1.00 13.31 H new ATOM 0 HA LEU A 59 7.695 -9.599 20.035 1.00 11.53 H new ATOM 0 HB2 LEU A 59 5.269 -10.958 18.988 1.00 33.13 H new ATOM 0 HB3 LEU A 59 6.506 -10.614 17.795 1.00 33.13 H new ATOM 0 HG LEU A 59 6.880 -12.230 20.332 1.00 44.02 H new ATOM 0 HD11 LEU A 59 7.183 -14.121 18.782 1.00 62.14 H new ATOM 0 HD12 LEU A 59 5.566 -13.393 18.628 1.00 62.14 H new ATOM 0 HD13 LEU A 59 6.816 -13.049 17.410 1.00 62.14 H new ATOM 0 HD21 LEU A 59 9.118 -12.736 19.432 1.00 24.20 H new ATOM 0 HD22 LEU A 59 8.826 -11.610 18.085 1.00 24.20 H new ATOM 0 HD23 LEU A 59 8.914 -10.998 19.754 1.00 24.20 H new ATOM 964 N GLY A 60 5.527 -7.856 18.251 1.00 33.12 N ATOM 965 CA GLY A 60 5.426 -6.737 17.333 1.00 50.12 C ATOM 966 C GLY A 60 6.199 -5.524 17.810 1.00 3.21 C ATOM 967 O GLY A 60 6.866 -4.853 17.021 1.00 63.31 O ATOM 0 H GLY A 60 4.633 -8.241 18.557 1.00 33.12 H new ATOM 0 HA2 GLY A 60 5.798 -7.039 16.354 1.00 50.12 H new ATOM 0 HA3 GLY A 60 4.377 -6.469 17.206 1.00 50.12 H new ATOM 971 N LEU A 61 6.110 -5.239 19.104 1.00 12.15 N ATOM 972 CA LEU A 61 6.806 -4.096 19.686 1.00 33.44 C ATOM 973 C LEU A 61 8.308 -4.191 19.440 1.00 0.22 C ATOM 974 O LEU A 61 8.947 -3.212 19.052 1.00 35.21 O ATOM 975 CB LEU A 61 6.528 -4.016 21.188 1.00 15.34 C ATOM 976 CG LEU A 61 6.247 -2.619 21.745 1.00 22.40 C ATOM 977 CD1 LEU A 61 6.116 -2.665 23.259 1.00 11.14 C ATOM 978 CD2 LEU A 61 7.345 -1.650 21.332 1.00 24.30 C ATOM 0 H LEU A 61 5.563 -5.783 19.771 1.00 12.15 H new ATOM 0 HA LEU A 61 6.434 -3.191 19.205 1.00 33.44 H new ATOM 0 HB2 LEU A 61 5.674 -4.654 21.414 1.00 15.34 H new ATOM 0 HB3 LEU A 61 7.385 -4.431 21.719 1.00 15.34 H new ATOM 0 HG LEU A 61 5.303 -2.266 21.330 1.00 22.40 H new ATOM 0 HD11 LEU A 61 5.916 -1.663 23.638 1.00 11.14 H new ATOM 0 HD12 LEU A 61 5.294 -3.327 23.533 1.00 11.14 H new ATOM 0 HD13 LEU A 61 7.043 -3.039 23.693 1.00 11.14 H new ATOM 0 HD21 LEU A 61 7.129 -0.661 21.737 1.00 24.30 H new ATOM 0 HD22 LEU A 61 8.303 -1.999 21.718 1.00 24.30 H new ATOM 0 HD23 LEU A 61 7.391 -1.595 20.244 1.00 24.30 H new ATOM 990 N TYR A 62 8.866 -5.375 19.666 1.00 11.14 N ATOM 991 CA TYR A 62 10.293 -5.597 19.469 1.00 24.44 C ATOM 992 C TYR A 62 10.664 -5.486 17.994 1.00 75.25 C ATOM 993 O TYR A 62 11.748 -5.017 17.647 1.00 42.43 O ATOM 994 CB TYR A 62 10.695 -6.973 20.005 1.00 3.52 C ATOM 995 CG TYR A 62 10.975 -6.985 21.491 1.00 23.30 C ATOM 996 CD1 TYR A 62 11.847 -6.066 22.062 1.00 71.22 C ATOM 997 CD2 TYR A 62 10.367 -7.916 22.324 1.00 21.23 C ATOM 998 CE1 TYR A 62 12.106 -6.075 23.419 1.00 41.14 C ATOM 999 CE2 TYR A 62 10.619 -7.931 23.683 1.00 62.35 C ATOM 1000 CZ TYR A 62 11.490 -7.009 24.225 1.00 72.12 C ATOM 1001 OH TYR A 62 11.744 -7.020 25.577 1.00 22.11 O ATOM 0 H TYR A 62 8.352 -6.196 19.986 1.00 11.14 H new ATOM 0 HA TYR A 62 10.834 -4.827 20.019 1.00 24.44 H new ATOM 0 HB2 TYR A 62 9.899 -7.685 19.788 1.00 3.52 H new ATOM 0 HB3 TYR A 62 11.583 -7.316 19.474 1.00 3.52 H new ATOM 0 HD1 TYR A 62 12.331 -5.332 21.434 1.00 71.22 H new ATOM 0 HD2 TYR A 62 9.686 -8.640 21.902 1.00 21.23 H new ATOM 0 HE1 TYR A 62 12.787 -5.354 23.846 1.00 41.14 H new ATOM 0 HE2 TYR A 62 10.137 -8.660 24.317 1.00 62.35 H new ATOM 0 HH TYR A 62 11.340 -6.230 25.992 1.00 22.11 H new ATOM 1011 N LEU A 63 9.754 -5.921 17.128 1.00 2.11 N ATOM 1012 CA LEU A 63 9.983 -5.870 15.688 1.00 33.32 C ATOM 1013 C LEU A 63 10.060 -4.428 15.199 1.00 14.53 C ATOM 1014 O LEU A 63 11.049 -4.020 14.591 1.00 74.01 O ATOM 1015 CB LEU A 63 8.868 -6.613 14.949 1.00 42.33 C ATOM 1016 CG LEU A 63 8.920 -6.552 13.422 1.00 54.23 C ATOM 1017 CD1 LEU A 63 8.235 -5.292 12.914 1.00 4.04 C ATOM 1018 CD2 LEU A 63 10.360 -6.612 12.934 1.00 72.23 C ATOM 0 H LEU A 63 8.852 -6.313 17.398 1.00 2.11 H new ATOM 0 HA LEU A 63 10.936 -6.355 15.479 1.00 33.32 H new ATOM 0 HB2 LEU A 63 8.893 -7.660 15.252 1.00 42.33 H new ATOM 0 HB3 LEU A 63 7.910 -6.209 15.277 1.00 42.33 H new ATOM 0 HG LEU A 63 8.387 -7.416 13.025 1.00 54.23 H new ATOM 0 HD11 LEU A 63 8.282 -5.266 11.825 1.00 4.04 H new ATOM 0 HD12 LEU A 63 7.193 -5.291 13.232 1.00 4.04 H new ATOM 0 HD13 LEU A 63 8.739 -4.415 13.320 1.00 4.04 H new ATOM 0 HD21 LEU A 63 10.377 -6.567 11.845 1.00 72.23 H new ATOM 0 HD22 LEU A 63 10.917 -5.768 13.341 1.00 72.23 H new ATOM 0 HD23 LEU A 63 10.818 -7.543 13.266 1.00 72.23 H new ATOM 1030 N MET A 64 9.010 -3.659 15.472 1.00 60.12 N ATOM 1031 CA MET A 64 8.961 -2.260 15.062 1.00 33.34 C ATOM 1032 C MET A 64 10.062 -1.455 15.745 1.00 61.14 C ATOM 1033 O MET A 64 10.570 -0.484 15.186 1.00 63.01 O ATOM 1034 CB MET A 64 7.594 -1.658 15.392 1.00 34.14 C ATOM 1035 CG MET A 64 7.435 -1.277 16.855 1.00 14.42 C ATOM 1036 SD MET A 64 7.830 0.455 17.168 1.00 33.43 S ATOM 1037 CE MET A 64 7.167 0.660 18.820 1.00 62.33 C ATOM 0 H MET A 64 8.183 -3.981 15.975 1.00 60.12 H new ATOM 0 HA MET A 64 9.119 -2.217 13.984 1.00 33.34 H new ATOM 0 HB2 MET A 64 7.438 -0.773 14.775 1.00 34.14 H new ATOM 0 HB3 MET A 64 6.817 -2.374 15.125 1.00 34.14 H new ATOM 0 HG2 MET A 64 6.410 -1.474 17.169 1.00 14.42 H new ATOM 0 HG3 MET A 64 8.082 -1.909 17.464 1.00 14.42 H new ATOM 0 HE1 MET A 64 6.777 1.671 18.932 1.00 62.33 H new ATOM 0 HE2 MET A 64 6.364 -0.059 18.982 1.00 62.33 H new ATOM 0 HE3 MET A 64 7.957 0.493 19.552 1.00 62.33 H new ATOM 1047 N ASN A 65 10.425 -1.865 16.955 1.00 25.35 N ATOM 1048 CA ASN A 65 11.466 -1.181 17.714 1.00 42.21 C ATOM 1049 C ASN A 65 12.828 -1.354 17.048 1.00 71.21 C ATOM 1050 O ASN A 65 13.575 -0.390 16.877 1.00 73.03 O ATOM 1051 CB ASN A 65 11.516 -1.713 19.147 1.00 34.44 C ATOM 1052 CG ASN A 65 12.528 -0.977 20.003 1.00 25.41 C ATOM 1053 OD1 ASN A 65 12.643 0.246 19.934 1.00 5.40 O ATOM 1054 ND2 ASN A 65 13.269 -1.722 20.815 1.00 21.35 N ATOM 0 H ASN A 65 10.014 -2.668 17.432 1.00 25.35 H new ATOM 0 HA ASN A 65 11.224 -0.118 17.737 1.00 42.21 H new ATOM 0 HB2 ASN A 65 10.528 -1.623 19.599 1.00 34.44 H new ATOM 0 HB3 ASN A 65 11.763 -2.774 19.129 1.00 34.44 H new ATOM 0 HD21 ASN A 65 13.968 -1.283 21.414 1.00 21.35 H new ATOM 0 HD22 ASN A 65 13.139 -2.733 20.839 1.00 21.35 H new ATOM 1061 N HIS A 66 13.144 -2.590 16.673 1.00 4.34 N ATOM 1062 CA HIS A 66 14.416 -2.890 16.025 1.00 52.14 C ATOM 1063 C HIS A 66 14.487 -2.244 14.644 1.00 4.54 C ATOM 1064 O HIS A 66 15.553 -1.814 14.203 1.00 4.23 O ATOM 1065 CB HIS A 66 14.606 -4.402 15.903 1.00 71.11 C ATOM 1066 CG HIS A 66 16.035 -4.814 15.726 1.00 40.34 C ATOM 1067 ND1 HIS A 66 16.819 -5.277 16.761 1.00 11.43 N ATOM 1068 CD2 HIS A 66 16.821 -4.832 14.624 1.00 51.12 C ATOM 1069 CE1 HIS A 66 18.026 -5.560 16.305 1.00 53.14 C ATOM 1070 NE2 HIS A 66 18.053 -5.299 15.010 1.00 20.30 N ATOM 0 H HIS A 66 12.537 -3.399 16.807 1.00 4.34 H new ATOM 0 HA HIS A 66 15.216 -2.479 16.641 1.00 52.14 H new ATOM 0 HB2 HIS A 66 14.206 -4.883 16.795 1.00 71.11 H new ATOM 0 HB3 HIS A 66 14.024 -4.766 15.056 1.00 71.11 H new ATOM 0 HD2 HIS A 66 16.533 -4.534 13.627 1.00 51.12 H new ATOM 0 HE1 HIS A 66 18.850 -5.940 16.891 1.00 53.14 H new ATOM 0 HE2 HIS A 66 18.858 -5.424 14.397 1.00 20.30 H new ATOM 1078 N VAL A 67 13.346 -2.179 13.967 1.00 53.34 N ATOM 1079 CA VAL A 67 13.279 -1.585 12.637 1.00 52.23 C ATOM 1080 C VAL A 67 13.569 -0.089 12.688 1.00 63.03 C ATOM 1081 O VAL A 67 14.430 0.412 11.964 1.00 53.41 O ATOM 1082 CB VAL A 67 11.898 -1.807 11.992 1.00 51.23 C ATOM 1083 CG1 VAL A 67 11.826 -1.124 10.634 1.00 3.35 C ATOM 1084 CG2 VAL A 67 11.602 -3.294 11.866 1.00 50.43 C ATOM 0 H VAL A 67 12.455 -2.530 14.317 1.00 53.34 H new ATOM 0 HA VAL A 67 14.039 -2.079 12.031 1.00 52.23 H new ATOM 0 HB VAL A 67 11.140 -1.362 12.636 1.00 51.23 H new ATOM 0 HG11 VAL A 67 10.843 -1.292 10.194 1.00 3.35 H new ATOM 0 HG12 VAL A 67 11.991 -0.053 10.756 1.00 3.35 H new ATOM 0 HG13 VAL A 67 12.593 -1.537 9.978 1.00 3.35 H new ATOM 0 HG21 VAL A 67 10.622 -3.432 11.408 1.00 50.43 H new ATOM 0 HG22 VAL A 67 12.363 -3.765 11.244 1.00 50.43 H new ATOM 0 HG23 VAL A 67 11.608 -3.751 12.855 1.00 50.43 H new ATOM 1094 N VAL A 68 12.846 0.620 13.549 1.00 73.25 N ATOM 1095 CA VAL A 68 13.026 2.059 13.696 1.00 44.01 C ATOM 1096 C VAL A 68 14.410 2.386 14.246 1.00 30.35 C ATOM 1097 O VAL A 68 15.000 3.408 13.900 1.00 45.20 O ATOM 1098 CB VAL A 68 11.959 2.666 14.626 1.00 43.42 C ATOM 1099 CG1 VAL A 68 10.563 2.390 14.089 1.00 42.10 C ATOM 1100 CG2 VAL A 68 12.113 2.124 16.039 1.00 63.34 C ATOM 0 H VAL A 68 12.130 0.221 14.156 1.00 73.25 H new ATOM 0 HA VAL A 68 12.921 2.495 12.702 1.00 44.01 H new ATOM 0 HB VAL A 68 12.102 3.746 14.659 1.00 43.42 H new ATOM 0 HG11 VAL A 68 9.822 2.826 14.759 1.00 42.10 H new ATOM 0 HG12 VAL A 68 10.460 2.832 13.098 1.00 42.10 H new ATOM 0 HG13 VAL A 68 10.404 1.314 14.024 1.00 42.10 H new ATOM 0 HG21 VAL A 68 11.351 2.564 16.682 1.00 63.34 H new ATOM 0 HG22 VAL A 68 11.997 1.040 16.028 1.00 63.34 H new ATOM 0 HG23 VAL A 68 13.102 2.379 16.421 1.00 63.34 H new ATOM 1110 N GLN A 69 14.921 1.510 15.105 1.00 30.55 N ATOM 1111 CA GLN A 69 16.236 1.705 15.704 1.00 11.53 C ATOM 1112 C GLN A 69 17.330 1.656 14.643 1.00 22.32 C ATOM 1113 O GLN A 69 18.212 2.513 14.608 1.00 4.12 O ATOM 1114 CB GLN A 69 16.497 0.642 16.773 1.00 55.41 C ATOM 1115 CG GLN A 69 16.119 1.086 18.177 1.00 33.30 C ATOM 1116 CD GLN A 69 16.596 0.119 19.243 1.00 62.14 C ATOM 1117 OE1 GLN A 69 17.706 -0.409 19.166 1.00 1.31 O ATOM 1118 NE2 GLN A 69 15.758 -0.119 20.245 1.00 43.21 N ATOM 0 H GLN A 69 14.444 0.658 15.402 1.00 30.55 H new ATOM 0 HA GLN A 69 16.252 2.690 16.171 1.00 11.53 H new ATOM 0 HB2 GLN A 69 15.937 -0.259 16.522 1.00 55.41 H new ATOM 0 HB3 GLN A 69 17.554 0.375 16.757 1.00 55.41 H new ATOM 0 HG2 GLN A 69 16.544 2.071 18.369 1.00 33.30 H new ATOM 0 HG3 GLN A 69 15.036 1.188 18.243 1.00 33.30 H new ATOM 0 HE21 GLN A 69 14.848 0.341 20.269 1.00 43.21 H new ATOM 0 HE22 GLN A 69 16.025 -0.761 20.991 1.00 43.21 H new ATOM 1127 N GLN A 70 17.266 0.646 13.781 1.00 50.42 N ATOM 1128 CA GLN A 70 18.253 0.485 12.719 1.00 13.25 C ATOM 1129 C GLN A 70 18.029 1.506 11.608 1.00 32.44 C ATOM 1130 O GLN A 70 18.974 1.934 10.946 1.00 35.21 O ATOM 1131 CB GLN A 70 18.190 -0.932 12.147 1.00 50.11 C ATOM 1132 CG GLN A 70 18.856 -1.975 13.030 1.00 15.01 C ATOM 1133 CD GLN A 70 20.337 -1.718 13.222 1.00 41.30 C ATOM 1134 OE1 GLN A 70 20.801 -1.496 14.341 1.00 54.30 O ATOM 1135 NE2 GLN A 70 21.090 -1.746 12.128 1.00 33.34 N ATOM 0 H GLN A 70 16.542 -0.072 13.797 1.00 50.42 H new ATOM 0 HA GLN A 70 19.241 0.653 13.147 1.00 13.25 H new ATOM 0 HB2 GLN A 70 17.146 -1.208 11.997 1.00 50.11 H new ATOM 0 HB3 GLN A 70 18.666 -0.941 11.167 1.00 50.11 H new ATOM 0 HG2 GLN A 70 18.365 -1.989 14.003 1.00 15.01 H new ATOM 0 HG3 GLN A 70 18.717 -2.962 12.588 1.00 15.01 H new ATOM 0 HE21 GLN A 70 20.664 -1.934 11.220 1.00 33.34 H new ATOM 0 HE22 GLN A 70 22.094 -1.580 12.196 1.00 33.34 H new ATOM 1144 N ALA A 71 16.772 1.891 11.410 1.00 65.32 N ATOM 1145 CA ALA A 71 16.425 2.862 10.380 1.00 11.00 C ATOM 1146 C ALA A 71 17.287 4.115 10.494 1.00 74.00 C ATOM 1147 O ALA A 71 17.566 4.782 9.497 1.00 21.15 O ATOM 1148 CB ALA A 71 14.950 3.223 10.472 1.00 52.43 C ATOM 0 H ALA A 71 15.978 1.545 11.949 1.00 65.32 H new ATOM 0 HA ALA A 71 16.617 2.409 9.408 1.00 11.00 H new ATOM 0 HB1 ALA A 71 14.704 3.949 9.697 1.00 52.43 H new ATOM 0 HB2 ALA A 71 14.347 2.326 10.333 1.00 52.43 H new ATOM 0 HB3 ALA A 71 14.741 3.653 11.452 1.00 52.43 H new ATOM 1154 N LYS A 72 17.705 4.431 11.715 1.00 71.40 N ATOM 1155 CA LYS A 72 18.536 5.604 11.960 1.00 34.53 C ATOM 1156 C LYS A 72 19.838 5.522 11.171 1.00 42.42 C ATOM 1157 O LYS A 72 20.325 6.527 10.654 1.00 64.35 O ATOM 1158 CB LYS A 72 18.840 5.735 13.454 1.00 13.14 C ATOM 1159 CG LYS A 72 17.860 6.625 14.198 1.00 14.45 C ATOM 1160 CD LYS A 72 18.554 7.438 15.279 1.00 74.12 C ATOM 1161 CE LYS A 72 19.049 6.551 16.411 1.00 12.42 C ATOM 1162 NZ LYS A 72 20.265 7.112 17.063 1.00 34.13 N ATOM 0 H LYS A 72 17.482 3.891 12.551 1.00 71.40 H new ATOM 0 HA LYS A 72 17.986 6.485 11.629 1.00 34.53 H new ATOM 0 HB2 LYS A 72 18.833 4.743 13.906 1.00 13.14 H new ATOM 0 HB3 LYS A 72 19.847 6.134 13.578 1.00 13.14 H new ATOM 0 HG2 LYS A 72 17.371 7.298 13.493 1.00 14.45 H new ATOM 0 HG3 LYS A 72 17.079 6.012 14.648 1.00 14.45 H new ATOM 0 HD2 LYS A 72 19.395 7.980 14.845 1.00 74.12 H new ATOM 0 HD3 LYS A 72 17.864 8.184 15.674 1.00 74.12 H new ATOM 0 HE2 LYS A 72 18.259 6.435 17.153 1.00 12.42 H new ATOM 0 HE3 LYS A 72 19.271 5.557 16.023 1.00 12.42 H new ATOM 0 HZ1 LYS A 72 20.915 6.338 17.310 1.00 34.13 H new ATOM 0 HZ2 LYS A 72 20.739 7.767 16.409 1.00 34.13 H new ATOM 0 HZ3 LYS A 72 19.991 7.623 17.927 1.00 34.13 H new ATOM 1176 N GLY A 73 20.397 4.319 11.081 1.00 0.23 N ATOM 1177 CA GLY A 73 21.637 4.130 10.352 1.00 63.41 C ATOM 1178 C GLY A 73 21.433 4.137 8.850 1.00 45.11 C ATOM 1179 O GLY A 73 22.362 4.420 8.093 1.00 12.03 O ATOM 0 H GLY A 73 20.013 3.472 11.500 1.00 0.23 H new ATOM 0 HA2 GLY A 73 22.339 4.919 10.624 1.00 63.41 H new ATOM 0 HA3 GLY A 73 22.089 3.184 10.650 1.00 63.41 H new ATOM 1183 N GLN A 74 20.216 3.824 8.418 1.00 62.31 N ATOM 1184 CA GLN A 74 19.895 3.793 6.996 1.00 42.31 C ATOM 1185 C GLN A 74 19.324 5.131 6.538 1.00 43.31 C ATOM 1186 O GLN A 74 18.749 5.235 5.454 1.00 32.14 O ATOM 1187 CB GLN A 74 18.898 2.672 6.701 1.00 73.25 C ATOM 1188 CG GLN A 74 19.557 1.341 6.375 1.00 40.31 C ATOM 1189 CD GLN A 74 20.431 0.831 7.504 1.00 41.43 C ATOM 1190 OE1 GLN A 74 21.630 0.614 7.326 1.00 1.12 O ATOM 1191 NE2 GLN A 74 19.834 0.638 8.674 1.00 61.41 N ATOM 0 H GLN A 74 19.436 3.588 9.032 1.00 62.31 H new ATOM 0 HA GLN A 74 20.816 3.604 6.445 1.00 42.31 H new ATOM 0 HB2 GLN A 74 18.244 2.543 7.563 1.00 73.25 H new ATOM 0 HB3 GLN A 74 18.266 2.970 5.864 1.00 73.25 H new ATOM 0 HG2 GLN A 74 18.786 0.602 6.155 1.00 40.31 H new ATOM 0 HG3 GLN A 74 20.161 1.450 5.474 1.00 40.31 H new ATOM 0 HE21 GLN A 74 18.838 0.831 8.776 1.00 61.41 H new ATOM 0 HE22 GLN A 74 20.372 0.297 9.471 1.00 61.41 H new ATOM 1200 N LYS A 75 19.487 6.154 7.370 1.00 12.23 N ATOM 1201 CA LYS A 75 18.989 7.487 7.052 1.00 52.03 C ATOM 1202 C LYS A 75 17.491 7.454 6.765 1.00 41.04 C ATOM 1203 O LYS A 75 17.038 7.939 5.727 1.00 32.33 O ATOM 1204 CB LYS A 75 19.738 8.059 5.846 1.00 75.24 C ATOM 1205 CG LYS A 75 21.099 8.636 6.193 1.00 60.24 C ATOM 1206 CD LYS A 75 22.195 7.590 6.071 1.00 41.41 C ATOM 1207 CE LYS A 75 22.762 7.539 4.661 1.00 44.24 C ATOM 1208 NZ LYS A 75 23.487 6.265 4.400 1.00 31.51 N ATOM 0 H LYS A 75 19.961 6.085 8.271 1.00 12.23 H new ATOM 0 HA LYS A 75 19.161 8.128 7.917 1.00 52.03 H new ATOM 0 HB2 LYS A 75 19.865 7.273 5.102 1.00 75.24 H new ATOM 0 HB3 LYS A 75 19.129 8.838 5.387 1.00 75.24 H new ATOM 0 HG2 LYS A 75 21.319 9.474 5.532 1.00 60.24 H new ATOM 0 HG3 LYS A 75 21.081 9.028 7.210 1.00 60.24 H new ATOM 0 HD2 LYS A 75 22.994 7.814 6.778 1.00 41.41 H new ATOM 0 HD3 LYS A 75 21.797 6.611 6.340 1.00 41.41 H new ATOM 0 HE2 LYS A 75 21.952 7.650 3.940 1.00 44.24 H new ATOM 0 HE3 LYS A 75 23.440 8.380 4.512 1.00 44.24 H new ATOM 0 HZ1 LYS A 75 23.858 6.270 3.429 1.00 31.51 H new ATOM 0 HZ2 LYS A 75 24.276 6.170 5.071 1.00 31.51 H new ATOM 0 HZ3 LYS A 75 22.834 5.464 4.517 1.00 31.51 H new ATOM 1222 N ILE A 76 16.728 6.881 7.690 1.00 45.33 N ATOM 1223 CA ILE A 76 15.282 6.788 7.536 1.00 10.32 C ATOM 1224 C ILE A 76 14.562 7.573 8.628 1.00 73.24 C ATOM 1225 O ILE A 76 14.699 7.273 9.814 1.00 14.42 O ATOM 1226 CB ILE A 76 14.805 5.324 7.572 1.00 10.41 C ATOM 1227 CG1 ILE A 76 15.761 4.434 6.775 1.00 13.12 C ATOM 1228 CG2 ILE A 76 13.390 5.215 7.025 1.00 72.14 C ATOM 1229 CD1 ILE A 76 15.883 4.829 5.320 1.00 2.53 C ATOM 0 H ILE A 76 17.087 6.474 8.554 1.00 45.33 H new ATOM 0 HA ILE A 76 15.040 7.216 6.563 1.00 10.32 H new ATOM 0 HB ILE A 76 14.800 4.984 8.607 1.00 10.41 H new ATOM 0 HG12 ILE A 76 16.748 4.470 7.237 1.00 13.12 H new ATOM 0 HG13 ILE A 76 15.418 3.401 6.835 1.00 13.12 H new ATOM 0 HG21 ILE A 76 13.067 4.175 7.057 1.00 72.14 H new ATOM 0 HG22 ILE A 76 12.718 5.823 7.631 1.00 72.14 H new ATOM 0 HG23 ILE A 76 13.370 5.570 5.995 1.00 72.14 H new ATOM 0 HD11 ILE A 76 16.577 4.155 4.817 1.00 2.53 H new ATOM 0 HD12 ILE A 76 14.905 4.766 4.843 1.00 2.53 H new ATOM 0 HD13 ILE A 76 16.255 5.851 5.250 1.00 2.53 H new ATOM 1241 N ILE A 77 13.793 8.577 8.218 1.00 25.41 N ATOM 1242 CA ILE A 77 13.049 9.402 9.161 1.00 41.10 C ATOM 1243 C ILE A 77 11.546 9.270 8.940 1.00 41.23 C ATOM 1244 O ILE A 77 10.752 9.518 9.846 1.00 11.14 O ATOM 1245 CB ILE A 77 13.445 10.886 9.045 1.00 25.22 C ATOM 1246 CG1 ILE A 77 14.952 11.052 9.254 1.00 21.51 C ATOM 1247 CG2 ILE A 77 12.670 11.721 10.053 1.00 4.30 C ATOM 1248 CD1 ILE A 77 15.451 12.451 8.970 1.00 63.12 C ATOM 0 H ILE A 77 13.669 8.838 7.240 1.00 25.41 H new ATOM 0 HA ILE A 77 13.300 9.044 10.160 1.00 41.10 H new ATOM 0 HB ILE A 77 13.195 11.236 8.044 1.00 25.22 H new ATOM 0 HG12 ILE A 77 15.199 10.789 10.282 1.00 21.51 H new ATOM 0 HG13 ILE A 77 15.480 10.349 8.609 1.00 21.51 H new ATOM 0 HG21 ILE A 77 12.961 12.767 9.959 1.00 4.30 H new ATOM 0 HG22 ILE A 77 11.601 11.623 9.862 1.00 4.30 H new ATOM 0 HG23 ILE A 77 12.892 11.372 11.062 1.00 4.30 H new ATOM 0 HD11 ILE A 77 16.527 12.495 9.139 1.00 63.12 H new ATOM 0 HD12 ILE A 77 15.235 12.711 7.934 1.00 63.12 H new ATOM 0 HD13 ILE A 77 14.951 13.157 9.633 1.00 63.12 H new ATOM 1260 N GLN A 78 11.164 8.877 7.729 1.00 20.20 N ATOM 1261 CA GLN A 78 9.756 8.711 7.389 1.00 32.23 C ATOM 1262 C GLN A 78 9.142 7.550 8.165 1.00 51.01 C ATOM 1263 O GLN A 78 7.961 7.578 8.514 1.00 44.14 O ATOM 1264 CB GLN A 78 9.596 8.476 5.886 1.00 2.41 C ATOM 1265 CG GLN A 78 10.424 9.423 5.032 1.00 60.44 C ATOM 1266 CD GLN A 78 10.372 10.854 5.528 1.00 51.11 C ATOM 1267 OE1 GLN A 78 9.330 11.328 5.982 1.00 3.24 O ATOM 1268 NE2 GLN A 78 11.499 11.552 5.444 1.00 72.53 N ATOM 0 H GLN A 78 11.810 8.668 6.967 1.00 20.20 H new ATOM 0 HA GLN A 78 9.232 9.626 7.664 1.00 32.23 H new ATOM 0 HB2 GLN A 78 9.879 7.449 5.655 1.00 2.41 H new ATOM 0 HB3 GLN A 78 8.545 8.584 5.619 1.00 2.41 H new ATOM 0 HG2 GLN A 78 11.460 9.084 5.021 1.00 60.44 H new ATOM 0 HG3 GLN A 78 10.065 9.386 4.003 1.00 60.44 H new ATOM 0 HE21 GLN A 78 12.339 11.119 5.061 1.00 72.53 H new ATOM 0 HE22 GLN A 78 11.524 12.521 5.763 1.00 72.53 H new ATOM 1277 N PHE A 79 9.951 6.530 8.432 1.00 75.22 N ATOM 1278 CA PHE A 79 9.486 5.358 9.165 1.00 24.03 C ATOM 1279 C PHE A 79 9.347 5.667 10.653 1.00 3.50 C ATOM 1280 O PHE A 79 8.317 5.382 11.262 1.00 11.54 O ATOM 1281 CB PHE A 79 10.452 4.189 8.964 1.00 24.53 C ATOM 1282 CG PHE A 79 9.802 2.967 8.380 1.00 51.43 C ATOM 1283 CD1 PHE A 79 8.612 2.485 8.899 1.00 35.41 C ATOM 1284 CD2 PHE A 79 10.380 2.303 7.311 1.00 65.44 C ATOM 1285 CE1 PHE A 79 8.011 1.361 8.364 1.00 65.34 C ATOM 1286 CE2 PHE A 79 9.785 1.178 6.771 1.00 53.45 C ATOM 1287 CZ PHE A 79 8.598 0.708 7.297 1.00 20.52 C ATOM 0 H PHE A 79 10.931 6.491 8.152 1.00 75.22 H new ATOM 0 HA PHE A 79 8.506 5.082 8.776 1.00 24.03 H new ATOM 0 HB2 PHE A 79 11.263 4.507 8.309 1.00 24.53 H new ATOM 0 HB3 PHE A 79 10.900 3.929 9.923 1.00 24.53 H new ATOM 0 HD1 PHE A 79 8.148 2.993 9.731 1.00 35.41 H new ATOM 0 HD2 PHE A 79 11.307 2.668 6.894 1.00 65.44 H new ATOM 0 HE1 PHE A 79 7.084 0.994 8.779 1.00 65.34 H new ATOM 0 HE2 PHE A 79 10.248 0.668 5.939 1.00 53.45 H new ATOM 0 HZ PHE A 79 8.129 -0.169 6.875 1.00 20.52 H new ATOM 1297 N GLN A 80 10.392 6.252 11.230 1.00 65.30 N ATOM 1298 CA GLN A 80 10.388 6.599 12.646 1.00 35.42 C ATOM 1299 C GLN A 80 9.236 7.544 12.971 1.00 12.10 C ATOM 1300 O GLN A 80 8.524 7.355 13.958 1.00 50.14 O ATOM 1301 CB GLN A 80 11.718 7.242 13.040 1.00 41.52 C ATOM 1302 CG GLN A 80 12.935 6.469 12.557 1.00 54.32 C ATOM 1303 CD GLN A 80 14.213 6.903 13.246 1.00 21.24 C ATOM 1304 OE1 GLN A 80 14.983 6.073 13.730 1.00 24.31 O ATOM 1305 NE2 GLN A 80 14.446 8.209 13.295 1.00 2.21 N ATOM 0 H GLN A 80 11.252 6.495 10.739 1.00 65.30 H new ATOM 0 HA GLN A 80 10.254 5.681 13.219 1.00 35.42 H new ATOM 0 HB2 GLN A 80 11.757 8.254 12.636 1.00 41.52 H new ATOM 0 HB3 GLN A 80 11.762 7.331 14.126 1.00 41.52 H new ATOM 0 HG2 GLN A 80 12.777 5.405 12.730 1.00 54.32 H new ATOM 0 HG3 GLN A 80 13.043 6.604 11.481 1.00 54.32 H new ATOM 0 HE21 GLN A 80 13.781 8.862 12.881 1.00 2.21 H new ATOM 0 HE22 GLN A 80 15.290 8.560 13.747 1.00 2.21 H new ATOM 1314 N ASP A 81 9.059 8.562 12.136 1.00 73.45 N ATOM 1315 CA ASP A 81 7.993 9.537 12.333 1.00 34.24 C ATOM 1316 C ASP A 81 6.624 8.864 12.282 1.00 44.14 C ATOM 1317 O ASP A 81 5.700 9.259 12.993 1.00 63.15 O ATOM 1318 CB ASP A 81 8.075 10.636 11.273 1.00 13.01 C ATOM 1319 CG ASP A 81 7.315 11.885 11.675 1.00 45.45 C ATOM 1320 OD1 ASP A 81 7.629 12.454 12.741 1.00 25.15 O ATOM 1321 OD2 ASP A 81 6.408 12.295 10.921 1.00 11.23 O ATOM 0 H ASP A 81 9.641 8.733 11.316 1.00 73.45 H new ATOM 0 HA ASP A 81 8.121 9.984 13.319 1.00 34.24 H new ATOM 0 HB2 ASP A 81 9.120 10.891 11.098 1.00 13.01 H new ATOM 0 HB3 ASP A 81 7.677 10.259 10.331 1.00 13.01 H new ATOM 1326 N SER A 82 6.502 7.847 11.435 1.00 63.13 N ATOM 1327 CA SER A 82 5.246 7.122 11.286 1.00 14.44 C ATOM 1328 C SER A 82 5.017 6.183 12.467 1.00 44.12 C ATOM 1329 O SER A 82 3.925 6.132 13.032 1.00 31.11 O ATOM 1330 CB SER A 82 5.242 6.327 9.979 1.00 10.43 C ATOM 1331 OG SER A 82 3.968 6.371 9.360 1.00 64.35 O ATOM 0 H SER A 82 7.258 7.506 10.841 1.00 63.13 H new ATOM 0 HA SER A 82 4.436 7.851 11.261 1.00 14.44 H new ATOM 0 HB2 SER A 82 5.993 6.732 9.301 1.00 10.43 H new ATOM 0 HB3 SER A 82 5.517 5.291 10.179 1.00 10.43 H new ATOM 0 HG SER A 82 3.976 7.039 8.643 1.00 64.35 H new ATOM 1337 N PHE A 83 6.057 5.441 12.834 1.00 71.24 N ATOM 1338 CA PHE A 83 5.971 4.502 13.946 1.00 62.31 C ATOM 1339 C PHE A 83 5.826 5.242 15.272 1.00 22.35 C ATOM 1340 O PHE A 83 5.349 4.682 16.259 1.00 42.41 O ATOM 1341 CB PHE A 83 7.211 3.606 13.982 1.00 62.05 C ATOM 1342 CG PHE A 83 7.057 2.338 13.192 1.00 63.32 C ATOM 1343 CD1 PHE A 83 5.971 1.503 13.401 1.00 41.20 C ATOM 1344 CD2 PHE A 83 7.998 1.980 12.240 1.00 45.11 C ATOM 1345 CE1 PHE A 83 5.828 0.335 12.676 1.00 13.22 C ATOM 1346 CE2 PHE A 83 7.860 0.813 11.512 1.00 42.53 C ATOM 1347 CZ PHE A 83 6.773 -0.009 11.730 1.00 73.55 C ATOM 0 H PHE A 83 6.969 5.472 12.378 1.00 71.24 H new ATOM 0 HA PHE A 83 5.087 3.881 13.798 1.00 62.31 H new ATOM 0 HB2 PHE A 83 8.064 4.164 13.596 1.00 62.05 H new ATOM 0 HB3 PHE A 83 7.438 3.354 15.018 1.00 62.05 H new ATOM 0 HD1 PHE A 83 5.228 1.768 14.139 1.00 41.20 H new ATOM 0 HD2 PHE A 83 8.850 2.621 12.065 1.00 45.11 H new ATOM 0 HE1 PHE A 83 4.978 -0.308 12.849 1.00 13.22 H new ATOM 0 HE2 PHE A 83 8.601 0.545 10.774 1.00 42.53 H new ATOM 0 HZ PHE A 83 6.662 -0.920 11.161 1.00 73.55 H new ATOM 1357 N GLY A 84 6.243 6.504 15.288 1.00 54.43 N ATOM 1358 CA GLY A 84 6.152 7.301 16.497 1.00 32.04 C ATOM 1359 C GLY A 84 4.761 7.862 16.719 1.00 21.33 C ATOM 1360 O GLY A 84 4.271 7.899 17.848 1.00 1.12 O ATOM 0 H GLY A 84 6.643 6.989 14.485 1.00 54.43 H new ATOM 0 HA2 GLY A 84 6.435 6.689 17.354 1.00 32.04 H new ATOM 0 HA3 GLY A 84 6.867 8.122 16.442 1.00 32.04 H new ATOM 1364 N LYS A 85 4.123 8.301 15.640 1.00 72.10 N ATOM 1365 CA LYS A 85 2.780 8.863 15.721 1.00 41.45 C ATOM 1366 C LYS A 85 1.761 7.788 16.084 1.00 12.51 C ATOM 1367 O LYS A 85 0.629 8.094 16.460 1.00 72.34 O ATOM 1368 CB LYS A 85 2.397 9.515 14.390 1.00 42.12 C ATOM 1369 CG LYS A 85 2.326 8.536 13.231 1.00 35.42 C ATOM 1370 CD LYS A 85 1.363 9.012 12.157 1.00 53.33 C ATOM 1371 CE LYS A 85 -0.085 8.819 12.580 1.00 13.54 C ATOM 1372 NZ LYS A 85 -1.031 9.088 11.462 1.00 61.54 N ATOM 0 H LYS A 85 4.514 8.279 14.698 1.00 72.10 H new ATOM 0 HA LYS A 85 2.777 9.621 16.505 1.00 41.45 H new ATOM 0 HB2 LYS A 85 1.430 10.005 14.500 1.00 42.12 H new ATOM 0 HB3 LYS A 85 3.123 10.293 14.154 1.00 42.12 H new ATOM 0 HG2 LYS A 85 3.319 8.409 12.800 1.00 35.42 H new ATOM 0 HG3 LYS A 85 2.010 7.559 13.597 1.00 35.42 H new ATOM 0 HD2 LYS A 85 1.544 10.066 11.946 1.00 53.33 H new ATOM 0 HD3 LYS A 85 1.549 8.465 11.232 1.00 53.33 H new ATOM 0 HE2 LYS A 85 -0.226 7.799 12.937 1.00 13.54 H new ATOM 0 HE3 LYS A 85 -0.311 9.483 13.414 1.00 13.54 H new ATOM 0 HZ1 LYS A 85 -2.007 8.945 11.791 1.00 61.54 H new ATOM 0 HZ2 LYS A 85 -0.915 10.069 11.138 1.00 61.54 H new ATOM 0 HZ3 LYS A 85 -0.833 8.437 10.675 1.00 61.54 H new ATOM 1386 N VAL A 86 2.170 6.529 15.971 1.00 21.24 N ATOM 1387 CA VAL A 86 1.293 5.409 16.291 1.00 63.52 C ATOM 1388 C VAL A 86 1.812 4.631 17.495 1.00 14.04 C ATOM 1389 O VAL A 86 1.124 3.760 18.027 1.00 22.13 O ATOM 1390 CB VAL A 86 1.152 4.448 15.095 1.00 22.43 C ATOM 1391 CG1 VAL A 86 0.562 5.171 13.895 1.00 53.41 C ATOM 1392 CG2 VAL A 86 2.498 3.830 14.747 1.00 42.21 C ATOM 0 H VAL A 86 3.103 6.259 15.660 1.00 21.24 H new ATOM 0 HA VAL A 86 0.316 5.830 16.528 1.00 63.52 H new ATOM 0 HB VAL A 86 0.471 3.645 15.375 1.00 22.43 H new ATOM 0 HG11 VAL A 86 0.470 4.476 13.060 1.00 53.41 H new ATOM 0 HG12 VAL A 86 -0.423 5.560 14.153 1.00 53.41 H new ATOM 0 HG13 VAL A 86 1.215 5.996 13.610 1.00 53.41 H new ATOM 0 HG21 VAL A 86 2.380 3.154 13.900 1.00 42.21 H new ATOM 0 HG22 VAL A 86 3.204 4.619 14.486 1.00 42.21 H new ATOM 0 HG23 VAL A 86 2.876 3.274 15.605 1.00 42.21 H new ATOM 1402 N ALA A 87 3.029 4.953 17.921 1.00 31.40 N ATOM 1403 CA ALA A 87 3.639 4.286 19.065 1.00 50.12 C ATOM 1404 C ALA A 87 2.939 4.673 20.363 1.00 0.02 C ATOM 1405 O ALA A 87 2.604 3.814 21.178 1.00 10.24 O ATOM 1406 CB ALA A 87 5.121 4.621 19.142 1.00 42.01 C ATOM 0 H ALA A 87 3.612 5.671 17.491 1.00 31.40 H new ATOM 0 HA ALA A 87 3.527 3.210 18.930 1.00 50.12 H new ATOM 0 HB1 ALA A 87 5.564 4.116 20.001 1.00 42.01 H new ATOM 0 HB2 ALA A 87 5.617 4.289 18.230 1.00 42.01 H new ATOM 0 HB3 ALA A 87 5.245 5.698 19.250 1.00 42.01 H new ATOM 1412 N ALA A 88 2.722 5.971 20.549 1.00 70.11 N ATOM 1413 CA ALA A 88 2.061 6.471 21.748 1.00 73.12 C ATOM 1414 C ALA A 88 0.642 5.924 21.861 1.00 53.03 C ATOM 1415 O ALA A 88 0.124 5.739 22.962 1.00 44.23 O ATOM 1416 CB ALA A 88 2.043 7.992 21.745 1.00 4.34 C ATOM 0 H ALA A 88 2.994 6.695 19.884 1.00 70.11 H new ATOM 0 HA ALA A 88 2.625 6.127 22.615 1.00 73.12 H new ATOM 0 HB1 ALA A 88 1.546 8.352 22.646 1.00 4.34 H new ATOM 0 HB2 ALA A 88 3.066 8.368 21.720 1.00 4.34 H new ATOM 0 HB3 ALA A 88 1.504 8.348 20.867 1.00 4.34 H new ATOM 1422 N GLU A 89 0.018 5.668 20.715 1.00 61.01 N ATOM 1423 CA GLU A 89 -1.342 5.144 20.687 1.00 72.40 C ATOM 1424 C GLU A 89 -1.360 3.658 21.036 1.00 10.21 C ATOM 1425 O GLU A 89 -2.075 3.231 21.943 1.00 62.54 O ATOM 1426 CB GLU A 89 -1.969 5.362 19.308 1.00 5.21 C ATOM 1427 CG GLU A 89 -3.482 5.229 19.299 1.00 31.40 C ATOM 1428 CD GLU A 89 -4.181 6.482 19.788 1.00 33.05 C ATOM 1429 OE1 GLU A 89 -3.983 7.550 19.172 1.00 12.12 O ATOM 1430 OE2 GLU A 89 -4.926 6.395 20.787 1.00 2.21 O ATOM 0 H GLU A 89 0.433 5.815 19.795 1.00 61.01 H new ATOM 0 HA GLU A 89 -1.926 5.683 21.433 1.00 72.40 H new ATOM 0 HB2 GLU A 89 -1.698 6.354 18.948 1.00 5.21 H new ATOM 0 HB3 GLU A 89 -1.545 4.642 18.608 1.00 5.21 H new ATOM 0 HG2 GLU A 89 -3.817 5.002 18.287 1.00 31.40 H new ATOM 0 HG3 GLU A 89 -3.773 4.387 19.927 1.00 31.40 H new ATOM 1437 N VAL A 90 -0.568 2.876 20.309 1.00 33.13 N ATOM 1438 CA VAL A 90 -0.492 1.439 20.541 1.00 22.54 C ATOM 1439 C VAL A 90 0.089 1.134 21.918 1.00 54.31 C ATOM 1440 O VAL A 90 -0.542 0.462 22.735 1.00 10.21 O ATOM 1441 CB VAL A 90 0.366 0.742 19.469 1.00 65.31 C ATOM 1442 CG1 VAL A 90 0.469 -0.749 19.753 1.00 61.13 C ATOM 1443 CG2 VAL A 90 -0.208 0.991 18.083 1.00 73.33 C ATOM 0 H VAL A 90 0.030 3.214 19.555 1.00 33.13 H new ATOM 0 HA VAL A 90 -1.511 1.056 20.486 1.00 22.54 H new ATOM 0 HB VAL A 90 1.371 1.163 19.502 1.00 65.31 H new ATOM 0 HG11 VAL A 90 1.079 -1.224 18.985 1.00 61.13 H new ATOM 0 HG12 VAL A 90 0.930 -0.903 20.729 1.00 61.13 H new ATOM 0 HG13 VAL A 90 -0.528 -1.190 19.749 1.00 61.13 H new ATOM 0 HG21 VAL A 90 0.411 0.491 17.338 1.00 73.33 H new ATOM 0 HG22 VAL A 90 -1.224 0.598 18.034 1.00 73.33 H new ATOM 0 HG23 VAL A 90 -0.223 2.062 17.883 1.00 73.33 H new ATOM 1453 N LEU A 91 1.294 1.633 22.169 1.00 51.31 N ATOM 1454 CA LEU A 91 1.961 1.416 23.448 1.00 32.30 C ATOM 1455 C LEU A 91 1.042 1.779 24.610 1.00 32.30 C ATOM 1456 O LEU A 91 1.077 1.146 25.664 1.00 24.42 O ATOM 1457 CB LEU A 91 3.246 2.242 23.522 1.00 22.43 C ATOM 1458 CG LEU A 91 4.326 1.897 22.496 1.00 73.13 C ATOM 1459 CD1 LEU A 91 5.438 2.933 22.523 1.00 43.44 C ATOM 1460 CD2 LEU A 91 4.884 0.505 22.756 1.00 42.52 C ATOM 0 H LEU A 91 1.829 2.191 21.504 1.00 51.31 H new ATOM 0 HA LEU A 91 2.212 0.358 23.524 1.00 32.30 H new ATOM 0 HB2 LEU A 91 2.985 3.294 23.405 1.00 22.43 H new ATOM 0 HB3 LEU A 91 3.671 2.128 24.519 1.00 22.43 H new ATOM 0 HG LEU A 91 3.874 1.906 21.504 1.00 73.13 H new ATOM 0 HD11 LEU A 91 6.197 2.671 21.786 1.00 43.44 H new ATOM 0 HD12 LEU A 91 5.027 3.914 22.287 1.00 43.44 H new ATOM 0 HD13 LEU A 91 5.888 2.958 23.515 1.00 43.44 H new ATOM 0 HD21 LEU A 91 5.651 0.277 22.016 1.00 42.52 H new ATOM 0 HD22 LEU A 91 5.320 0.468 23.754 1.00 42.52 H new ATOM 0 HD23 LEU A 91 4.081 -0.228 22.684 1.00 42.52 H new ATOM 1472 N GLY A 92 0.217 2.802 24.408 1.00 31.14 N ATOM 1473 CA GLY A 92 -0.702 3.230 25.447 1.00 3.11 C ATOM 1474 C GLY A 92 -1.820 2.234 25.679 1.00 72.43 C ATOM 1475 O GLY A 92 -2.262 2.038 26.811 1.00 2.22 O ATOM 0 H GLY A 92 0.169 3.342 23.544 1.00 31.14 H new ATOM 0 HA2 GLY A 92 -0.152 3.377 26.376 1.00 3.11 H new ATOM 0 HA3 GLY A 92 -1.130 4.195 25.174 1.00 3.11 H new ATOM 1479 N ARG A 93 -2.281 1.603 24.603 1.00 1.04 N ATOM 1480 CA ARG A 93 -3.357 0.624 24.694 1.00 30.35 C ATOM 1481 C ARG A 93 -2.829 -0.720 25.189 1.00 50.11 C ATOM 1482 O ARG A 93 -3.320 -1.265 26.178 1.00 2.53 O ATOM 1483 CB ARG A 93 -4.032 0.449 23.333 1.00 35.51 C ATOM 1484 CG ARG A 93 -5.159 1.437 23.081 1.00 73.23 C ATOM 1485 CD ARG A 93 -6.484 0.920 23.620 1.00 53.55 C ATOM 1486 NE ARG A 93 -7.499 1.969 23.674 1.00 1.44 N ATOM 1487 CZ ARG A 93 -8.699 1.803 24.219 1.00 0.32 C ATOM 1488 NH1 ARG A 93 -9.032 0.637 24.753 1.00 34.44 N ATOM 1489 NH2 ARG A 93 -9.568 2.806 24.231 1.00 72.21 N ATOM 0 H ARG A 93 -1.926 1.753 23.659 1.00 1.04 H new ATOM 0 HA ARG A 93 -4.091 0.993 25.411 1.00 30.35 H new ATOM 0 HB2 ARG A 93 -3.283 0.557 22.549 1.00 35.51 H new ATOM 0 HB3 ARG A 93 -4.426 -0.565 23.260 1.00 35.51 H new ATOM 0 HG2 ARG A 93 -4.921 2.391 23.552 1.00 73.23 H new ATOM 0 HG3 ARG A 93 -5.248 1.624 22.011 1.00 73.23 H new ATOM 0 HD2 ARG A 93 -6.839 0.105 22.990 1.00 53.55 H new ATOM 0 HD3 ARG A 93 -6.334 0.509 24.618 1.00 53.55 H new ATOM 0 HE ARG A 93 -7.274 2.879 23.271 1.00 1.44 H new ATOM 0 HH11 ARG A 93 -8.366 -0.136 24.746 1.00 34.44 H new ATOM 0 HH12 ARG A 93 -9.954 0.512 25.171 1.00 34.44 H new ATOM 0 HH21 ARG A 93 -9.315 3.705 23.822 1.00 72.21 H new ATOM 0 HH22 ARG A 93 -10.489 2.678 24.650 1.00 72.21 H new ATOM 1503 N ILE A 94 -1.827 -1.248 24.494 1.00 75.23 N ATOM 1504 CA ILE A 94 -1.233 -2.527 24.863 1.00 52.04 C ATOM 1505 C ILE A 94 -0.708 -2.497 26.294 1.00 52.31 C ATOM 1506 O ILE A 94 -0.604 -3.532 26.950 1.00 73.44 O ATOM 1507 CB ILE A 94 -0.082 -2.907 23.913 1.00 23.43 C ATOM 1508 CG1 ILE A 94 1.110 -1.970 24.120 1.00 54.20 C ATOM 1509 CG2 ILE A 94 -0.552 -2.865 22.467 1.00 44.41 C ATOM 1510 CD1 ILE A 94 2.274 -2.261 23.200 1.00 44.32 C ATOM 0 H ILE A 94 -1.410 -0.810 23.673 1.00 75.23 H new ATOM 0 HA ILE A 94 -2.021 -3.276 24.784 1.00 52.04 H new ATOM 0 HB ILE A 94 0.236 -3.924 24.141 1.00 23.43 H new ATOM 0 HG12 ILE A 94 0.784 -0.941 23.966 1.00 54.20 H new ATOM 0 HG13 ILE A 94 1.447 -2.046 25.154 1.00 54.20 H new ATOM 0 HG21 ILE A 94 0.273 -3.136 21.808 1.00 44.41 H new ATOM 0 HG22 ILE A 94 -1.372 -3.570 22.330 1.00 44.41 H new ATOM 0 HG23 ILE A 94 -0.894 -1.859 22.225 1.00 44.41 H new ATOM 0 HD11 ILE A 94 3.082 -1.559 23.403 1.00 44.32 H new ATOM 0 HD12 ILE A 94 2.626 -3.278 23.370 1.00 44.32 H new ATOM 0 HD13 ILE A 94 1.954 -2.156 22.163 1.00 44.32 H new ATOM 1522 N ASN A 95 -0.380 -1.301 26.773 1.00 70.11 N ATOM 1523 CA ASN A 95 0.133 -1.135 28.128 1.00 63.21 C ATOM 1524 C ASN A 95 -0.889 -1.604 29.158 1.00 35.22 C ATOM 1525 O ASN A 95 -0.527 -2.079 30.234 1.00 32.12 O ATOM 1526 CB ASN A 95 0.496 0.329 28.382 1.00 15.45 C ATOM 1527 CG ASN A 95 0.698 0.627 29.856 1.00 54.33 C ATOM 1528 OD1 ASN A 95 1.576 0.056 30.501 1.00 23.41 O ATOM 1529 ND2 ASN A 95 -0.118 1.526 30.395 1.00 41.24 N ATOM 0 H ASN A 95 -0.460 -0.433 26.243 1.00 70.11 H new ATOM 0 HA ASN A 95 1.029 -1.747 28.228 1.00 63.21 H new ATOM 0 HB2 ASN A 95 1.407 0.575 27.836 1.00 15.45 H new ATOM 0 HB3 ASN A 95 -0.294 0.970 27.989 1.00 15.45 H new ATOM 0 HD21 ASN A 95 -0.030 1.767 31.382 1.00 41.24 H new ATOM 0 HD22 ASN A 95 -0.832 1.975 29.822 1.00 41.24 H new ATOM 1536 N GLN A 96 -2.168 -1.468 28.820 1.00 45.21 N ATOM 1537 CA GLN A 96 -3.242 -1.878 29.716 1.00 54.41 C ATOM 1538 C GLN A 96 -3.440 -3.389 29.673 1.00 20.33 C ATOM 1539 O GLN A 96 -3.561 -4.038 30.712 1.00 43.11 O ATOM 1540 CB GLN A 96 -4.546 -1.170 29.340 1.00 24.23 C ATOM 1541 CG GLN A 96 -4.422 0.344 29.284 1.00 23.24 C ATOM 1542 CD GLN A 96 -5.767 1.036 29.187 1.00 2.33 C ATOM 1543 OE1 GLN A 96 -6.439 1.255 30.195 1.00 14.42 O ATOM 1544 NE2 GLN A 96 -6.167 1.385 27.970 1.00 3.31 N ATOM 0 H GLN A 96 -2.485 -1.077 27.933 1.00 45.21 H new ATOM 0 HA GLN A 96 -2.962 -1.596 30.731 1.00 54.41 H new ATOM 0 HB2 GLN A 96 -4.881 -1.535 28.369 1.00 24.23 H new ATOM 0 HB3 GLN A 96 -5.316 -1.437 30.064 1.00 24.23 H new ATOM 0 HG2 GLN A 96 -3.900 0.695 30.174 1.00 23.24 H new ATOM 0 HG3 GLN A 96 -3.811 0.623 28.426 1.00 23.24 H new ATOM 0 HE21 GLN A 96 -5.578 1.184 27.162 1.00 3.31 H new ATOM 0 HE22 GLN A 96 -7.064 1.854 27.843 1.00 3.31 H new ATOM 1553 N GLU A 97 -3.472 -3.943 28.465 1.00 32.22 N ATOM 1554 CA GLU A 97 -3.657 -5.379 28.289 1.00 44.15 C ATOM 1555 C GLU A 97 -2.399 -6.143 28.694 1.00 14.21 C ATOM 1556 O GLU A 97 -2.448 -7.344 28.958 1.00 23.42 O ATOM 1557 CB GLU A 97 -4.012 -5.695 26.834 1.00 3.21 C ATOM 1558 CG GLU A 97 -5.348 -5.120 26.395 1.00 43.40 C ATOM 1559 CD GLU A 97 -6.507 -6.056 26.676 1.00 2.15 C ATOM 1560 OE1 GLU A 97 -6.405 -7.250 26.325 1.00 43.30 O ATOM 1561 OE2 GLU A 97 -7.516 -5.594 27.249 1.00 72.01 O ATOM 0 H GLU A 97 -3.372 -3.420 27.595 1.00 32.22 H new ATOM 0 HA GLU A 97 -4.477 -5.696 28.933 1.00 44.15 H new ATOM 0 HB2 GLU A 97 -3.228 -5.306 26.185 1.00 3.21 H new ATOM 0 HB3 GLU A 97 -4.030 -6.777 26.700 1.00 3.21 H new ATOM 0 HG2 GLU A 97 -5.518 -4.173 26.908 1.00 43.40 H new ATOM 0 HG3 GLU A 97 -5.312 -4.902 25.328 1.00 43.40 H new ATOM 1568 N PHE A 98 -1.274 -5.437 28.741 1.00 55.13 N ATOM 1569 CA PHE A 98 -0.003 -6.048 29.112 1.00 15.32 C ATOM 1570 C PHE A 98 0.124 -6.159 30.629 1.00 51.42 C ATOM 1571 O PHE A 98 0.087 -5.165 31.355 1.00 51.24 O ATOM 1572 CB PHE A 98 1.162 -5.232 28.550 1.00 64.15 C ATOM 1573 CG PHE A 98 1.522 -5.596 27.138 1.00 64.35 C ATOM 1574 CD1 PHE A 98 0.563 -6.093 26.270 1.00 50.20 C ATOM 1575 CD2 PHE A 98 2.821 -5.443 26.678 1.00 55.40 C ATOM 1576 CE1 PHE A 98 0.891 -6.429 24.970 1.00 52.31 C ATOM 1577 CE2 PHE A 98 3.154 -5.776 25.379 1.00 61.31 C ATOM 1578 CZ PHE A 98 2.188 -6.271 24.524 1.00 24.12 C ATOM 0 H PHE A 98 -1.217 -4.441 28.527 1.00 55.13 H new ATOM 0 HA PHE A 98 0.027 -7.052 28.688 1.00 15.32 H new ATOM 0 HB2 PHE A 98 0.906 -4.173 28.590 1.00 64.15 H new ATOM 0 HB3 PHE A 98 2.035 -5.373 29.187 1.00 64.15 H new ATOM 0 HD1 PHE A 98 -0.453 -6.219 26.613 1.00 50.20 H new ATOM 0 HD2 PHE A 98 3.581 -5.059 27.342 1.00 55.40 H new ATOM 0 HE1 PHE A 98 0.133 -6.815 24.304 1.00 52.31 H new ATOM 0 HE2 PHE A 98 4.169 -5.649 25.032 1.00 61.31 H new ATOM 0 HZ PHE A 98 2.447 -6.534 23.509 1.00 24.12 H new ATOM 1588 N PRO A 99 0.277 -7.397 31.120 1.00 21.21 N ATOM 1589 CA PRO A 99 0.413 -7.669 32.554 1.00 10.32 C ATOM 1590 C PRO A 99 1.743 -7.177 33.114 1.00 43.51 C ATOM 1591 O PRO A 99 2.587 -6.667 32.376 1.00 2.05 O ATOM 1592 CB PRO A 99 0.331 -9.195 32.636 1.00 75.14 C ATOM 1593 CG PRO A 99 0.782 -9.671 31.298 1.00 1.30 C ATOM 1594 CD PRO A 99 0.330 -8.628 30.313 1.00 30.04 C ATOM 0 HA PRO A 99 -0.350 -7.155 33.139 1.00 10.32 H new ATOM 0 HB2 PRO A 99 0.969 -9.584 33.430 1.00 75.14 H new ATOM 0 HB3 PRO A 99 -0.685 -9.526 32.852 1.00 75.14 H new ATOM 0 HG2 PRO A 99 1.865 -9.790 31.271 1.00 1.30 H new ATOM 0 HG3 PRO A 99 0.349 -10.643 31.063 1.00 1.30 H new ATOM 0 HD2 PRO A 99 1.027 -8.533 29.480 1.00 30.04 H new ATOM 0 HD3 PRO A 99 -0.644 -8.872 29.888 1.00 30.04 H new ATOM 1602 N ARG A 100 1.924 -7.333 34.421 1.00 10.43 N ATOM 1603 CA ARG A 100 3.152 -6.903 35.079 1.00 31.14 C ATOM 1604 C ARG A 100 4.377 -7.469 34.368 1.00 61.44 C ATOM 1605 O ARG A 100 5.333 -6.746 34.085 1.00 74.40 O ATOM 1606 CB ARG A 100 3.151 -7.343 36.545 1.00 63.24 C ATOM 1607 CG ARG A 100 2.438 -6.373 37.472 1.00 50.33 C ATOM 1608 CD ARG A 100 2.969 -6.468 38.893 1.00 22.14 C ATOM 1609 NE ARG A 100 2.148 -5.713 39.836 1.00 22.12 N ATOM 1610 CZ ARG A 100 2.240 -4.398 40.001 1.00 34.23 C ATOM 1611 NH1 ARG A 100 3.111 -3.696 39.290 1.00 61.50 N ATOM 1612 NH2 ARG A 100 1.458 -3.783 40.879 1.00 12.40 N ATOM 0 H ARG A 100 1.236 -7.754 35.045 1.00 10.43 H new ATOM 0 HA ARG A 100 3.197 -5.815 35.033 1.00 31.14 H new ATOM 0 HB2 ARG A 100 2.676 -8.321 36.622 1.00 63.24 H new ATOM 0 HB3 ARG A 100 4.181 -7.462 36.880 1.00 63.24 H new ATOM 0 HG2 ARG A 100 2.565 -5.355 37.102 1.00 50.33 H new ATOM 0 HG3 ARG A 100 1.368 -6.583 37.467 1.00 50.33 H new ATOM 0 HD2 ARG A 100 3.003 -7.514 39.198 1.00 22.14 H new ATOM 0 HD3 ARG A 100 3.992 -6.094 38.923 1.00 22.14 H new ATOM 0 HE ARG A 100 1.467 -6.223 40.398 1.00 22.12 H new ATOM 0 HH11 ARG A 100 3.713 -4.165 38.614 1.00 61.50 H new ATOM 0 HH12 ARG A 100 3.179 -2.687 39.419 1.00 61.50 H new ATOM 0 HH21 ARG A 100 0.786 -4.320 41.427 1.00 12.40 H new ATOM 0 HH22 ARG A 100 1.529 -2.773 41.006 1.00 12.40 H new ATOM 1626 N ASP A 101 4.342 -8.766 34.082 1.00 74.15 N ATOM 1627 CA ASP A 101 5.448 -9.430 33.402 1.00 4.23 C ATOM 1628 C ASP A 101 5.798 -8.711 32.103 1.00 3.22 C ATOM 1629 O ASP A 101 6.966 -8.426 31.834 1.00 60.24 O ATOM 1630 CB ASP A 101 5.095 -10.890 33.113 1.00 44.52 C ATOM 1631 CG ASP A 101 5.081 -11.741 34.367 1.00 62.42 C ATOM 1632 OD1 ASP A 101 6.092 -11.735 35.100 1.00 23.32 O ATOM 1633 OD2 ASP A 101 4.059 -12.414 34.615 1.00 12.43 O ATOM 0 H ASP A 101 3.559 -9.379 34.311 1.00 74.15 H new ATOM 0 HA ASP A 101 6.317 -9.398 34.059 1.00 4.23 H new ATOM 0 HB2 ASP A 101 4.117 -10.936 32.635 1.00 44.52 H new ATOM 0 HB3 ASP A 101 5.815 -11.302 32.406 1.00 44.52 H new ATOM 1638 N LEU A 102 4.780 -8.421 31.301 1.00 50.30 N ATOM 1639 CA LEU A 102 4.979 -7.736 30.029 1.00 45.54 C ATOM 1640 C LEU A 102 5.452 -6.302 30.250 1.00 24.41 C ATOM 1641 O LEU A 102 6.325 -5.807 29.536 1.00 75.30 O ATOM 1642 CB LEU A 102 3.683 -7.737 29.217 1.00 33.12 C ATOM 1643 CG LEU A 102 3.547 -8.843 28.170 1.00 23.44 C ATOM 1644 CD1 LEU A 102 4.709 -8.796 27.190 1.00 1.21 C ATOM 1645 CD2 LEU A 102 3.469 -10.207 28.842 1.00 4.31 C ATOM 0 H LEU A 102 3.808 -8.650 31.509 1.00 50.30 H new ATOM 0 HA LEU A 102 5.749 -8.272 29.474 1.00 45.54 H new ATOM 0 HB2 LEU A 102 2.844 -7.814 29.909 1.00 33.12 H new ATOM 0 HB3 LEU A 102 3.593 -6.775 28.713 1.00 33.12 H new ATOM 0 HG LEU A 102 2.623 -8.680 27.615 1.00 23.44 H new ATOM 0 HD11 LEU A 102 4.595 -9.590 26.452 1.00 1.21 H new ATOM 0 HD12 LEU A 102 4.720 -7.830 26.685 1.00 1.21 H new ATOM 0 HD13 LEU A 102 5.646 -8.934 27.730 1.00 1.21 H new ATOM 0 HD21 LEU A 102 3.372 -10.982 28.082 1.00 4.31 H new ATOM 0 HD22 LEU A 102 4.375 -10.379 29.423 1.00 4.31 H new ATOM 0 HD23 LEU A 102 2.603 -10.238 29.503 1.00 4.31 H new ATOM 1657 N LYS A 103 4.873 -5.641 31.246 1.00 54.10 N ATOM 1658 CA LYS A 103 5.236 -4.265 31.565 1.00 21.54 C ATOM 1659 C LYS A 103 6.749 -4.119 31.696 1.00 52.33 C ATOM 1660 O LYS A 103 7.307 -3.060 31.409 1.00 44.33 O ATOM 1661 CB LYS A 103 4.557 -3.825 32.864 1.00 33.11 C ATOM 1662 CG LYS A 103 3.076 -3.525 32.705 1.00 44.25 C ATOM 1663 CD LYS A 103 2.637 -2.388 33.612 1.00 42.55 C ATOM 1664 CE LYS A 103 1.294 -1.818 33.181 1.00 45.45 C ATOM 1665 NZ LYS A 103 0.180 -2.771 33.435 1.00 34.43 N ATOM 0 H LYS A 103 4.150 -6.036 31.847 1.00 54.10 H new ATOM 0 HA LYS A 103 4.895 -3.627 30.750 1.00 21.54 H new ATOM 0 HB2 LYS A 103 4.682 -4.607 33.613 1.00 33.11 H new ATOM 0 HB3 LYS A 103 5.060 -2.936 33.244 1.00 33.11 H new ATOM 0 HG2 LYS A 103 2.866 -3.266 31.667 1.00 44.25 H new ATOM 0 HG3 LYS A 103 2.496 -4.419 32.934 1.00 44.25 H new ATOM 0 HD2 LYS A 103 2.569 -2.746 34.639 1.00 42.55 H new ATOM 0 HD3 LYS A 103 3.389 -1.599 33.599 1.00 42.55 H new ATOM 0 HE2 LYS A 103 1.105 -0.888 33.717 1.00 45.45 H new ATOM 0 HE3 LYS A 103 1.327 -1.573 32.119 1.00 45.45 H new ATOM 0 HZ1 LYS A 103 -0.728 -2.268 33.372 1.00 34.43 H new ATOM 0 HZ2 LYS A 103 0.205 -3.531 32.726 1.00 34.43 H new ATOM 0 HZ3 LYS A 103 0.283 -3.180 34.385 1.00 34.43 H new ATOM 1679 N LYS A 104 7.407 -5.188 32.129 1.00 63.42 N ATOM 1680 CA LYS A 104 8.856 -5.181 32.295 1.00 51.55 C ATOM 1681 C LYS A 104 9.558 -5.138 30.941 1.00 1.42 C ATOM 1682 O LYS A 104 10.519 -4.391 30.752 1.00 71.32 O ATOM 1683 CB LYS A 104 9.307 -6.416 33.076 1.00 22.42 C ATOM 1684 CG LYS A 104 10.551 -6.184 33.916 1.00 23.10 C ATOM 1685 CD LYS A 104 10.597 -7.117 35.114 1.00 22.15 C ATOM 1686 CE LYS A 104 11.574 -6.621 36.170 1.00 60.23 C ATOM 1687 NZ LYS A 104 12.151 -7.742 36.962 1.00 32.41 N ATOM 0 H LYS A 104 6.960 -6.072 32.372 1.00 63.42 H new ATOM 0 HA LYS A 104 9.128 -4.286 32.855 1.00 51.55 H new ATOM 0 HB2 LYS A 104 8.495 -6.741 33.727 1.00 22.42 H new ATOM 0 HB3 LYS A 104 9.498 -7.229 32.375 1.00 22.42 H new ATOM 0 HG2 LYS A 104 11.439 -6.335 33.302 1.00 23.10 H new ATOM 0 HG3 LYS A 104 10.572 -5.149 34.258 1.00 23.10 H new ATOM 0 HD2 LYS A 104 9.601 -7.201 35.549 1.00 22.15 H new ATOM 0 HD3 LYS A 104 10.888 -8.116 34.788 1.00 22.15 H new ATOM 0 HE2 LYS A 104 12.378 -6.065 35.688 1.00 60.23 H new ATOM 0 HE3 LYS A 104 11.064 -5.928 36.839 1.00 60.23 H new ATOM 0 HZ1 LYS A 104 12.811 -7.363 37.670 1.00 32.41 H new ATOM 0 HZ2 LYS A 104 11.386 -8.257 37.443 1.00 32.41 H new ATOM 0 HZ3 LYS A 104 12.659 -8.390 36.327 1.00 32.41 H new ATOM 1701 N LYS A 105 9.072 -5.942 30.002 1.00 51.43 N ATOM 1702 CA LYS A 105 9.650 -5.994 28.664 1.00 24.03 C ATOM 1703 C LYS A 105 9.277 -4.752 27.861 1.00 72.52 C ATOM 1704 O LYS A 105 10.026 -4.319 26.985 1.00 41.15 O ATOM 1705 CB LYS A 105 9.177 -7.251 27.931 1.00 42.15 C ATOM 1706 CG LYS A 105 9.255 -8.513 28.773 1.00 42.53 C ATOM 1707 CD LYS A 105 10.695 -8.889 29.081 1.00 13.12 C ATOM 1708 CE LYS A 105 11.232 -9.902 28.082 1.00 3.11 C ATOM 1709 NZ LYS A 105 12.387 -10.664 28.632 1.00 22.31 N ATOM 0 H LYS A 105 8.278 -6.567 30.143 1.00 51.43 H new ATOM 0 HA LYS A 105 10.735 -6.026 28.765 1.00 24.03 H new ATOM 0 HB2 LYS A 105 8.147 -7.105 27.605 1.00 42.15 H new ATOM 0 HB3 LYS A 105 9.780 -7.386 27.033 1.00 42.15 H new ATOM 0 HG2 LYS A 105 8.709 -8.364 29.705 1.00 42.53 H new ATOM 0 HG3 LYS A 105 8.768 -9.334 28.246 1.00 42.53 H new ATOM 0 HD2 LYS A 105 11.317 -7.994 29.064 1.00 13.12 H new ATOM 0 HD3 LYS A 105 10.757 -9.301 30.088 1.00 13.12 H new ATOM 0 HE2 LYS A 105 10.438 -10.596 27.805 1.00 3.11 H new ATOM 0 HE3 LYS A 105 11.537 -9.387 27.171 1.00 3.11 H new ATOM 0 HZ1 LYS A 105 12.788 -11.271 27.889 1.00 22.31 H new ATOM 0 HZ2 LYS A 105 13.114 -9.999 28.966 1.00 22.31 H new ATOM 0 HZ3 LYS A 105 12.067 -11.255 29.426 1.00 22.31 H new ATOM 1723 N LEU A 106 8.116 -4.184 28.165 1.00 14.33 N ATOM 1724 CA LEU A 106 7.643 -2.990 27.472 1.00 22.12 C ATOM 1725 C LEU A 106 8.302 -1.736 28.037 1.00 2.21 C ATOM 1726 O LEU A 106 8.590 -0.790 27.304 1.00 50.11 O ATOM 1727 CB LEU A 106 6.122 -2.877 27.588 1.00 21.44 C ATOM 1728 CG LEU A 106 5.486 -1.658 26.919 1.00 24.15 C ATOM 1729 CD1 LEU A 106 4.074 -1.979 26.457 1.00 73.01 C ATOM 1730 CD2 LEU A 106 5.481 -0.470 27.871 1.00 63.25 C ATOM 0 H LEU A 106 7.484 -4.531 28.887 1.00 14.33 H new ATOM 0 HA LEU A 106 7.915 -3.079 26.420 1.00 22.12 H new ATOM 0 HB2 LEU A 106 5.677 -3.775 27.159 1.00 21.44 H new ATOM 0 HB3 LEU A 106 5.858 -2.865 28.646 1.00 21.44 H new ATOM 0 HG LEU A 106 6.081 -1.395 26.044 1.00 24.15 H new ATOM 0 HD11 LEU A 106 3.637 -1.100 25.983 1.00 73.01 H new ATOM 0 HD12 LEU A 106 4.103 -2.800 25.741 1.00 73.01 H new ATOM 0 HD13 LEU A 106 3.467 -2.268 27.315 1.00 73.01 H new ATOM 0 HD21 LEU A 106 5.025 0.389 27.379 1.00 63.25 H new ATOM 0 HD22 LEU A 106 4.909 -0.722 28.764 1.00 63.25 H new ATOM 0 HD23 LEU A 106 6.505 -0.225 28.153 1.00 63.25 H new ATOM 1742 N SER A 107 8.540 -1.736 29.345 1.00 62.32 N ATOM 1743 CA SER A 107 9.164 -0.598 30.009 1.00 41.34 C ATOM 1744 C SER A 107 10.663 -0.560 29.728 1.00 42.32 C ATOM 1745 O SER A 107 11.265 0.512 29.655 1.00 22.34 O ATOM 1746 CB SER A 107 8.918 -0.662 31.517 1.00 32.22 C ATOM 1747 OG SER A 107 9.738 0.264 32.208 1.00 42.11 O ATOM 0 H SER A 107 8.310 -2.512 29.966 1.00 62.32 H new ATOM 0 HA SER A 107 8.714 0.313 29.613 1.00 41.34 H new ATOM 0 HB2 SER A 107 7.869 -0.451 31.727 1.00 32.22 H new ATOM 0 HB3 SER A 107 9.119 -1.670 31.879 1.00 32.22 H new ATOM 0 HG SER A 107 9.560 0.204 33.170 1.00 42.11 H new ATOM 1753 N ARG A 108 11.259 -1.737 29.570 1.00 24.05 N ATOM 1754 CA ARG A 108 12.688 -1.840 29.299 1.00 41.32 C ATOM 1755 C ARG A 108 12.983 -1.566 27.827 1.00 75.53 C ATOM 1756 O ARG A 108 14.019 -0.997 27.485 1.00 25.43 O ATOM 1757 CB ARG A 108 13.204 -3.227 29.684 1.00 33.51 C ATOM 1758 CG ARG A 108 12.784 -4.323 28.718 1.00 70.03 C ATOM 1759 CD ARG A 108 13.840 -4.558 27.649 1.00 23.24 C ATOM 1760 NE ARG A 108 14.833 -5.544 28.069 1.00 51.12 N ATOM 1761 CZ ARG A 108 14.587 -6.847 28.146 1.00 24.11 C ATOM 1762 NH1 ARG A 108 13.388 -7.319 27.834 1.00 44.14 N ATOM 1763 NH2 ARG A 108 15.543 -7.681 28.536 1.00 34.43 N ATOM 0 H ARG A 108 10.775 -2.633 29.625 1.00 24.05 H new ATOM 0 HA ARG A 108 13.201 -1.090 29.901 1.00 41.32 H new ATOM 0 HB2 ARG A 108 14.292 -3.199 29.737 1.00 33.51 H new ATOM 0 HB3 ARG A 108 12.843 -3.476 30.682 1.00 33.51 H new ATOM 0 HG2 ARG A 108 12.610 -5.248 29.268 1.00 70.03 H new ATOM 0 HG3 ARG A 108 11.840 -4.051 28.245 1.00 70.03 H new ATOM 0 HD2 ARG A 108 13.358 -4.896 26.732 1.00 23.24 H new ATOM 0 HD3 ARG A 108 14.339 -3.617 27.419 1.00 23.24 H new ATOM 0 HE ARG A 108 15.766 -5.214 28.317 1.00 51.12 H new ATOM 0 HH11 ARG A 108 12.651 -6.681 27.534 1.00 44.14 H new ATOM 0 HH12 ARG A 108 13.203 -8.320 27.894 1.00 44.14 H new ATOM 0 HH21 ARG A 108 16.467 -7.321 28.777 1.00 34.43 H new ATOM 0 HH22 ARG A 108 15.354 -8.682 28.595 1.00 34.43 H new ATOM 1777 N VAL A 109 12.063 -1.977 26.959 1.00 43.45 N ATOM 1778 CA VAL A 109 12.224 -1.776 25.523 1.00 14.14 C ATOM 1779 C VAL A 109 11.892 -0.341 25.129 1.00 74.23 C ATOM 1780 O VAL A 109 12.490 0.215 24.208 1.00 40.22 O ATOM 1781 CB VAL A 109 11.330 -2.738 24.719 1.00 73.03 C ATOM 1782 CG1 VAL A 109 9.864 -2.364 24.877 1.00 51.41 C ATOM 1783 CG2 VAL A 109 11.733 -2.738 23.252 1.00 61.31 C ATOM 0 H VAL A 109 11.200 -2.451 27.225 1.00 43.45 H new ATOM 0 HA VAL A 109 13.269 -1.981 25.289 1.00 14.14 H new ATOM 0 HB VAL A 109 11.467 -3.746 25.111 1.00 73.03 H new ATOM 0 HG11 VAL A 109 9.248 -3.055 24.302 1.00 51.41 H new ATOM 0 HG12 VAL A 109 9.586 -2.420 25.929 1.00 51.41 H new ATOM 0 HG13 VAL A 109 9.706 -1.349 24.513 1.00 51.41 H new ATOM 0 HG21 VAL A 109 11.091 -3.423 22.698 1.00 61.31 H new ATOM 0 HG22 VAL A 109 11.626 -1.732 22.845 1.00 61.31 H new ATOM 0 HG23 VAL A 109 12.771 -3.059 23.160 1.00 61.31 H new ATOM 1793 N VAL A 110 10.933 0.254 25.832 1.00 23.31 N ATOM 1794 CA VAL A 110 10.522 1.625 25.557 1.00 40.13 C ATOM 1795 C VAL A 110 11.557 2.622 26.066 1.00 31.01 C ATOM 1796 O VAL A 110 11.766 3.676 25.467 1.00 74.11 O ATOM 1797 CB VAL A 110 9.159 1.942 26.201 1.00 43.34 C ATOM 1798 CG1 VAL A 110 9.280 1.980 27.716 1.00 24.44 C ATOM 1799 CG2 VAL A 110 8.613 3.259 25.669 1.00 73.43 C ATOM 0 H VAL A 110 10.426 -0.193 26.596 1.00 23.31 H new ATOM 0 HA VAL A 110 10.434 1.718 24.475 1.00 40.13 H new ATOM 0 HB VAL A 110 8.458 1.150 25.936 1.00 43.34 H new ATOM 0 HG11 VAL A 110 8.307 2.205 28.153 1.00 24.44 H new ATOM 0 HG12 VAL A 110 9.625 1.011 28.078 1.00 24.44 H new ATOM 0 HG13 VAL A 110 9.995 2.751 28.005 1.00 24.44 H new ATOM 0 HG21 VAL A 110 7.650 3.468 26.134 1.00 73.43 H new ATOM 0 HG22 VAL A 110 9.311 4.063 25.903 1.00 73.43 H new ATOM 0 HG23 VAL A 110 8.487 3.191 24.588 1.00 73.43 H new ATOM 1809 N ASN A 111 12.203 2.281 27.176 1.00 31.33 N ATOM 1810 CA ASN A 111 13.217 3.146 27.767 1.00 1.32 C ATOM 1811 C ASN A 111 14.437 3.254 26.858 1.00 63.12 C ATOM 1812 O ASN A 111 15.272 4.144 27.025 1.00 54.15 O ATOM 1813 CB ASN A 111 13.635 2.614 29.139 1.00 21.04 C ATOM 1814 CG ASN A 111 12.603 2.906 30.212 1.00 43.03 C ATOM 1815 OD1 ASN A 111 11.748 3.776 30.045 1.00 30.33 O ATOM 1816 ND2 ASN A 111 12.680 2.178 31.320 1.00 53.50 N ATOM 0 H ASN A 111 12.042 1.411 27.684 1.00 31.33 H new ATOM 0 HA ASN A 111 12.786 4.140 27.886 1.00 1.32 H new ATOM 0 HB2 ASN A 111 13.794 1.538 29.075 1.00 21.04 H new ATOM 0 HB3 ASN A 111 14.588 3.061 29.424 1.00 21.04 H new ATOM 0 HD21 ASN A 111 12.013 2.329 32.077 1.00 53.50 H new ATOM 0 HD22 ASN A 111 13.406 1.468 31.414 1.00 53.50 H new ATOM 1823 N ILE A 112 14.534 2.342 25.896 1.00 31.02 N ATOM 1824 CA ILE A 112 15.651 2.336 24.960 1.00 73.44 C ATOM 1825 C ILE A 112 15.436 3.349 23.841 1.00 54.03 C ATOM 1826 O ILE A 112 16.391 3.920 23.313 1.00 10.33 O ATOM 1827 CB ILE A 112 15.858 0.941 24.341 1.00 64.33 C ATOM 1828 CG1 ILE A 112 16.165 -0.086 25.433 1.00 0.43 C ATOM 1829 CG2 ILE A 112 16.979 0.979 23.313 1.00 63.13 C ATOM 1830 CD1 ILE A 112 15.801 -1.503 25.051 1.00 54.15 C ATOM 0 H ILE A 112 13.853 1.598 25.745 1.00 31.02 H new ATOM 0 HA ILE A 112 16.540 2.609 25.528 1.00 73.44 H new ATOM 0 HB ILE A 112 14.938 0.644 23.837 1.00 64.33 H new ATOM 0 HG12 ILE A 112 17.228 -0.044 25.671 1.00 0.43 H new ATOM 0 HG13 ILE A 112 15.625 0.187 26.339 1.00 0.43 H new ATOM 0 HG21 ILE A 112 17.113 -0.014 22.884 1.00 63.13 H new ATOM 0 HG22 ILE A 112 16.724 1.684 22.522 1.00 63.13 H new ATOM 0 HG23 ILE A 112 17.904 1.294 23.795 1.00 63.13 H new ATOM 0 HD11 ILE A 112 16.046 -2.176 25.873 1.00 54.15 H new ATOM 0 HD12 ILE A 112 14.733 -1.560 24.842 1.00 54.15 H new ATOM 0 HD13 ILE A 112 16.361 -1.796 24.163 1.00 54.15 H new ATOM 1842 N LEU A 113 14.175 3.569 23.484 1.00 41.13 N ATOM 1843 CA LEU A 113 13.833 4.516 22.428 1.00 20.00 C ATOM 1844 C LEU A 113 14.376 5.906 22.746 1.00 71.50 C ATOM 1845 O LEU A 113 14.813 6.632 21.854 1.00 44.42 O ATOM 1846 CB LEU A 113 12.316 4.579 22.244 1.00 72.51 C ATOM 1847 CG LEU A 113 11.678 3.393 21.519 1.00 62.30 C ATOM 1848 CD1 LEU A 113 10.177 3.363 21.761 1.00 1.43 C ATOM 1849 CD2 LEU A 113 11.979 3.455 20.028 1.00 35.24 C ATOM 0 H LEU A 113 13.373 3.105 23.910 1.00 41.13 H new ATOM 0 HA LEU A 113 14.291 4.170 21.502 1.00 20.00 H new ATOM 0 HB2 LEU A 113 11.854 4.669 23.227 1.00 72.51 H new ATOM 0 HB3 LEU A 113 12.074 5.488 21.694 1.00 72.51 H new ATOM 0 HG LEU A 113 12.107 2.474 21.918 1.00 62.30 H new ATOM 0 HD11 LEU A 113 9.741 2.512 21.237 1.00 1.43 H new ATOM 0 HD12 LEU A 113 9.983 3.270 22.829 1.00 1.43 H new ATOM 0 HD13 LEU A 113 9.730 4.285 21.390 1.00 1.43 H new ATOM 0 HD21 LEU A 113 11.517 2.604 19.528 1.00 35.24 H new ATOM 0 HD22 LEU A 113 11.578 4.380 19.614 1.00 35.24 H new ATOM 0 HD23 LEU A 113 13.058 3.426 19.873 1.00 35.24 H new ATOM 1861 N LYS A 114 14.347 6.268 24.024 1.00 54.31 N ATOM 1862 CA LYS A 114 14.839 7.569 24.462 1.00 55.11 C ATOM 1863 C LYS A 114 16.356 7.651 24.326 1.00 34.22 C ATOM 1864 O LYS A 114 16.910 8.726 24.103 1.00 2.44 O ATOM 1865 CB LYS A 114 14.431 7.829 25.914 1.00 60.10 C ATOM 1866 CG LYS A 114 15.338 7.156 26.930 1.00 74.21 C ATOM 1867 CD LYS A 114 16.454 8.082 27.381 1.00 44.21 C ATOM 1868 CE LYS A 114 16.041 8.906 28.590 1.00 15.44 C ATOM 1869 NZ LYS A 114 17.089 9.891 28.976 1.00 40.24 N ATOM 0 H LYS A 114 13.988 5.679 24.775 1.00 54.31 H new ATOM 0 HA LYS A 114 14.393 8.332 23.824 1.00 55.11 H new ATOM 0 HB2 LYS A 114 14.430 8.904 26.096 1.00 60.10 H new ATOM 0 HB3 LYS A 114 13.409 7.480 26.064 1.00 60.10 H new ATOM 0 HG2 LYS A 114 14.750 6.845 27.794 1.00 74.21 H new ATOM 0 HG3 LYS A 114 15.767 6.253 26.495 1.00 74.21 H new ATOM 0 HD2 LYS A 114 17.339 7.495 27.625 1.00 44.21 H new ATOM 0 HD3 LYS A 114 16.729 8.747 26.563 1.00 44.21 H new ATOM 0 HE2 LYS A 114 15.112 9.432 28.370 1.00 15.44 H new ATOM 0 HE3 LYS A 114 15.840 8.242 29.430 1.00 15.44 H new ATOM 0 HZ1 LYS A 114 16.768 10.432 29.804 1.00 40.24 H new ATOM 0 HZ2 LYS A 114 17.969 9.388 29.210 1.00 40.24 H new ATOM 0 HZ3 LYS A 114 17.263 10.541 28.183 1.00 40.24 H new ATOM 1883 N GLU A 115 17.020 6.507 24.461 1.00 51.22 N ATOM 1884 CA GLU A 115 18.473 6.451 24.352 1.00 10.32 C ATOM 1885 C GLU A 115 18.921 6.701 22.915 1.00 2.21 C ATOM 1886 O GLU A 115 19.867 7.450 22.670 1.00 1.11 O ATOM 1887 CB GLU A 115 18.990 5.093 24.830 1.00 4.04 C ATOM 1888 CG GLU A 115 18.949 4.923 26.340 1.00 74.13 C ATOM 1889 CD GLU A 115 19.974 5.784 27.052 1.00 34.45 C ATOM 1890 OE1 GLU A 115 21.078 5.971 26.501 1.00 10.40 O ATOM 1891 OE2 GLU A 115 19.670 6.270 28.162 1.00 24.43 O ATOM 0 H GLU A 115 16.575 5.608 24.646 1.00 51.22 H new ATOM 0 HA GLU A 115 18.890 7.234 24.985 1.00 10.32 H new ATOM 0 HB2 GLU A 115 18.396 4.304 24.368 1.00 4.04 H new ATOM 0 HB3 GLU A 115 20.016 4.963 24.486 1.00 4.04 H new ATOM 0 HG2 GLU A 115 17.953 5.175 26.703 1.00 74.13 H new ATOM 0 HG3 GLU A 115 19.123 3.876 26.589 1.00 74.13 H new ATOM 1898 N ARG A 116 18.235 6.068 21.969 1.00 43.20 N ATOM 1899 CA ARG A 116 18.563 6.220 20.557 1.00 61.05 C ATOM 1900 C ARG A 116 17.914 7.475 19.980 1.00 64.24 C ATOM 1901 O ARG A 116 18.306 7.955 18.917 1.00 41.21 O ATOM 1902 CB ARG A 116 18.107 4.990 19.770 1.00 21.52 C ATOM 1903 CG ARG A 116 18.433 3.673 20.456 1.00 1.03 C ATOM 1904 CD ARG A 116 19.932 3.495 20.637 1.00 45.13 C ATOM 1905 NE ARG A 116 20.327 2.090 20.584 1.00 43.14 N ATOM 1906 CZ ARG A 116 20.316 1.365 19.471 1.00 50.14 C ATOM 1907 NH1 ARG A 116 19.932 1.910 18.324 1.00 23.04 N ATOM 1908 NH2 ARG A 116 20.690 0.092 19.503 1.00 54.23 N ATOM 0 H ARG A 116 17.449 5.445 22.155 1.00 43.20 H new ATOM 0 HA ARG A 116 19.645 6.318 20.470 1.00 61.05 H new ATOM 0 HB2 ARG A 116 17.030 5.050 19.610 1.00 21.52 H new ATOM 0 HB3 ARG A 116 18.577 5.004 18.786 1.00 21.52 H new ATOM 0 HG2 ARG A 116 17.941 3.636 21.428 1.00 1.03 H new ATOM 0 HG3 ARG A 116 18.036 2.847 19.867 1.00 1.03 H new ATOM 0 HD2 ARG A 116 20.459 4.049 19.860 1.00 45.13 H new ATOM 0 HD3 ARG A 116 20.235 3.921 21.594 1.00 45.13 H new ATOM 0 HE ARG A 116 20.628 1.641 21.449 1.00 43.14 H new ATOM 0 HH11 ARG A 116 19.644 2.888 18.295 1.00 23.04 H new ATOM 0 HH12 ARG A 116 19.925 1.351 17.471 1.00 23.04 H new ATOM 0 HH21 ARG A 116 20.986 -0.331 20.383 1.00 54.23 H new ATOM 0 HH22 ARG A 116 20.681 -0.464 18.648 1.00 54.23 H new ATOM 1922 N ASN A 117 16.920 8.000 20.688 1.00 31.20 N ATOM 1923 CA ASN A 117 16.216 9.198 20.246 1.00 50.02 C ATOM 1924 C ASN A 117 15.517 8.957 18.911 1.00 33.24 C ATOM 1925 O ASN A 117 15.569 9.795 18.011 1.00 4.42 O ATOM 1926 CB ASN A 117 17.191 10.370 20.119 1.00 42.13 C ATOM 1927 CG ASN A 117 18.109 10.491 21.320 1.00 64.04 C ATOM 1928 OD1 ASN A 117 19.297 10.175 21.241 1.00 12.33 O ATOM 1929 ND2 ASN A 117 17.562 10.950 22.439 1.00 32.30 N ATOM 0 H ASN A 117 16.584 7.615 21.570 1.00 31.20 H new ATOM 0 HA ASN A 117 15.461 9.442 20.993 1.00 50.02 H new ATOM 0 HB2 ASN A 117 17.791 10.244 19.218 1.00 42.13 H new ATOM 0 HB3 ASN A 117 16.628 11.296 20.000 1.00 42.13 H new ATOM 0 HD21 ASN A 117 18.131 11.053 23.280 1.00 32.30 H new ATOM 0 HD22 ASN A 117 16.573 11.200 22.458 1.00 32.30 H new ATOM 1936 N ILE A 118 14.862 7.807 18.792 1.00 23.41 N ATOM 1937 CA ILE A 118 14.151 7.456 17.569 1.00 43.11 C ATOM 1938 C ILE A 118 13.005 8.425 17.303 1.00 55.43 C ATOM 1939 O ILE A 118 12.942 9.056 16.247 1.00 65.41 O ATOM 1940 CB ILE A 118 13.592 6.023 17.634 1.00 63.52 C ATOM 1941 CG1 ILE A 118 14.690 5.042 18.053 1.00 13.43 C ATOM 1942 CG2 ILE A 118 13.003 5.623 16.289 1.00 31.54 C ATOM 1943 CD1 ILE A 118 15.897 5.061 17.142 1.00 70.30 C ATOM 0 H ILE A 118 14.809 7.103 19.528 1.00 23.41 H new ATOM 0 HA ILE A 118 14.873 7.518 16.755 1.00 43.11 H new ATOM 0 HB ILE A 118 12.798 5.992 18.381 1.00 63.52 H new ATOM 0 HG12 ILE A 118 15.008 5.277 19.069 1.00 13.43 H new ATOM 0 HG13 ILE A 118 14.276 4.034 18.074 1.00 13.43 H new ATOM 0 HG21 ILE A 118 12.612 4.607 16.351 1.00 31.54 H new ATOM 0 HG22 ILE A 118 12.196 6.307 16.027 1.00 31.54 H new ATOM 0 HG23 ILE A 118 13.779 5.667 15.524 1.00 31.54 H new ATOM 0 HD11 ILE A 118 16.634 4.342 17.499 1.00 70.30 H new ATOM 0 HD12 ILE A 118 15.593 4.796 16.129 1.00 70.30 H new ATOM 0 HD13 ILE A 118 16.335 6.059 17.140 1.00 70.30 H new ATOM 1955 N PHE A 119 12.099 8.541 18.268 1.00 12.12 N ATOM 1956 CA PHE A 119 10.954 9.435 18.139 1.00 34.30 C ATOM 1957 C PHE A 119 11.286 10.825 18.673 1.00 52.13 C ATOM 1958 O PHE A 119 12.272 11.009 19.386 1.00 32.44 O ATOM 1959 CB PHE A 119 9.747 8.864 18.887 1.00 23.32 C ATOM 1960 CG PHE A 119 9.436 7.440 18.524 1.00 33.11 C ATOM 1961 CD1 PHE A 119 9.418 7.037 17.198 1.00 2.24 C ATOM 1962 CD2 PHE A 119 9.161 6.504 19.508 1.00 12.33 C ATOM 1963 CE1 PHE A 119 9.131 5.728 16.862 1.00 71.13 C ATOM 1964 CE2 PHE A 119 8.873 5.193 19.178 1.00 43.34 C ATOM 1965 CZ PHE A 119 8.859 4.805 17.852 1.00 24.44 C ATOM 0 H PHE A 119 12.135 8.027 19.148 1.00 12.12 H new ATOM 0 HA PHE A 119 10.710 9.521 17.080 1.00 34.30 H new ATOM 0 HB2 PHE A 119 9.932 8.925 19.959 1.00 23.32 H new ATOM 0 HB3 PHE A 119 8.874 9.483 18.678 1.00 23.32 H new ATOM 0 HD1 PHE A 119 9.631 7.754 16.419 1.00 2.24 H new ATOM 0 HD2 PHE A 119 9.172 6.803 20.546 1.00 12.33 H new ATOM 0 HE1 PHE A 119 9.119 5.427 15.825 1.00 71.13 H new ATOM 0 HE2 PHE A 119 8.659 4.474 19.955 1.00 43.34 H new ATOM 0 HZ PHE A 119 8.636 3.781 17.590 1.00 24.44 H new ATOM 1975 N SER A 120 10.456 11.801 18.321 1.00 55.54 N ATOM 1976 CA SER A 120 10.662 13.176 18.760 1.00 45.52 C ATOM 1977 C SER A 120 10.190 13.364 20.198 1.00 10.32 C ATOM 1978 O SER A 120 9.430 12.552 20.726 1.00 51.01 O ATOM 1979 CB SER A 120 9.922 14.146 17.837 1.00 54.01 C ATOM 1980 OG SER A 120 10.543 15.419 17.830 1.00 44.40 O ATOM 0 H SER A 120 9.634 11.665 17.733 1.00 55.54 H new ATOM 0 HA SER A 120 11.730 13.388 18.716 1.00 45.52 H new ATOM 0 HB2 SER A 120 9.900 13.743 16.824 1.00 54.01 H new ATOM 0 HB3 SER A 120 8.887 14.245 18.163 1.00 54.01 H new ATOM 0 HG SER A 120 10.052 16.019 17.231 1.00 44.40 H new ATOM 1986 N LYS A 121 10.646 14.442 20.828 1.00 31.31 N ATOM 1987 CA LYS A 121 10.271 14.740 22.205 1.00 34.42 C ATOM 1988 C LYS A 121 8.755 14.710 22.375 1.00 60.03 C ATOM 1989 O LYS A 121 8.239 14.100 23.310 1.00 34.32 O ATOM 1990 CB LYS A 121 10.814 16.109 22.619 1.00 40.23 C ATOM 1991 CG LYS A 121 10.746 16.364 24.114 1.00 12.25 C ATOM 1992 CD LYS A 121 10.721 17.851 24.426 1.00 55.30 C ATOM 1993 CE LYS A 121 12.124 18.403 24.624 1.00 11.23 C ATOM 1994 NZ LYS A 121 12.738 18.832 23.337 1.00 24.43 N ATOM 0 H LYS A 121 11.276 15.124 20.406 1.00 31.31 H new ATOM 0 HA LYS A 121 10.706 13.974 22.847 1.00 34.42 H new ATOM 0 HB2 LYS A 121 11.850 16.194 22.291 1.00 40.23 H new ATOM 0 HB3 LYS A 121 10.251 16.885 22.101 1.00 40.23 H new ATOM 0 HG2 LYS A 121 9.854 15.890 24.525 1.00 12.25 H new ATOM 0 HG3 LYS A 121 11.605 15.903 24.602 1.00 12.25 H new ATOM 0 HD2 LYS A 121 10.230 18.386 23.613 1.00 55.30 H new ATOM 0 HD3 LYS A 121 10.130 18.025 25.325 1.00 55.30 H new ATOM 0 HE2 LYS A 121 12.088 19.250 25.309 1.00 11.23 H new ATOM 0 HE3 LYS A 121 12.751 17.643 25.090 1.00 11.23 H new ATOM 0 HZ1 LYS A 121 13.608 19.369 23.529 1.00 24.43 H new ATOM 0 HZ2 LYS A 121 12.967 17.994 22.765 1.00 24.43 H new ATOM 0 HZ3 LYS A 121 12.068 19.433 22.816 1.00 24.43 H new ATOM 2008 N GLN A 122 8.049 15.372 21.463 1.00 22.53 N ATOM 2009 CA GLN A 122 6.593 15.419 21.513 1.00 53.42 C ATOM 2010 C GLN A 122 5.999 14.016 21.445 1.00 43.14 C ATOM 2011 O GLN A 122 4.961 13.740 22.046 1.00 22.11 O ATOM 2012 CB GLN A 122 6.050 16.272 20.364 1.00 21.24 C ATOM 2013 CG GLN A 122 4.766 17.009 20.708 1.00 33.10 C ATOM 2014 CD GLN A 122 5.017 18.294 21.472 1.00 32.34 C ATOM 2015 OE1 GLN A 122 5.699 19.196 20.986 1.00 54.25 O ATOM 2016 NE2 GLN A 122 4.466 18.383 22.677 1.00 13.52 N ATOM 0 H GLN A 122 8.462 15.882 20.682 1.00 22.53 H new ATOM 0 HA GLN A 122 6.302 15.870 22.461 1.00 53.42 H new ATOM 0 HB2 GLN A 122 6.809 16.998 20.071 1.00 21.24 H new ATOM 0 HB3 GLN A 122 5.871 15.632 19.500 1.00 21.24 H new ATOM 0 HG2 GLN A 122 4.225 17.237 19.789 1.00 33.10 H new ATOM 0 HG3 GLN A 122 4.125 16.357 21.302 1.00 33.10 H new ATOM 0 HE21 GLN A 122 3.908 17.611 23.041 1.00 13.52 H new ATOM 0 HE22 GLN A 122 4.601 19.224 23.239 1.00 13.52 H new ATOM 2025 N VAL A 123 6.665 13.133 20.708 1.00 71.45 N ATOM 2026 CA VAL A 123 6.204 11.757 20.561 1.00 12.21 C ATOM 2027 C VAL A 123 6.397 10.972 21.854 1.00 51.33 C ATOM 2028 O VAL A 123 5.451 10.396 22.390 1.00 15.12 O ATOM 2029 CB VAL A 123 6.944 11.035 19.420 1.00 44.54 C ATOM 2030 CG1 VAL A 123 6.301 9.687 19.134 1.00 53.44 C ATOM 2031 CG2 VAL A 123 6.967 11.901 18.169 1.00 60.12 C ATOM 0 H VAL A 123 7.526 13.346 20.203 1.00 71.45 H new ATOM 0 HA VAL A 123 5.142 11.803 20.322 1.00 12.21 H new ATOM 0 HB VAL A 123 7.974 10.859 19.732 1.00 44.54 H new ATOM 0 HG11 VAL A 123 6.838 9.192 18.325 1.00 53.44 H new ATOM 0 HG12 VAL A 123 6.342 9.067 20.029 1.00 53.44 H new ATOM 0 HG13 VAL A 123 5.261 9.834 18.842 1.00 53.44 H new ATOM 0 HG21 VAL A 123 7.494 11.376 17.372 1.00 60.12 H new ATOM 0 HG22 VAL A 123 5.945 12.110 17.852 1.00 60.12 H new ATOM 0 HG23 VAL A 123 7.479 12.839 18.385 1.00 60.12 H new ATOM 2041 N VAL A 124 7.630 10.954 22.350 1.00 10.21 N ATOM 2042 CA VAL A 124 7.948 10.241 23.581 1.00 10.25 C ATOM 2043 C VAL A 124 7.070 10.716 24.734 1.00 74.33 C ATOM 2044 O VAL A 124 6.466 9.909 25.440 1.00 55.44 O ATOM 2045 CB VAL A 124 9.427 10.423 23.969 1.00 4.55 C ATOM 2046 CG1 VAL A 124 9.734 9.689 25.266 1.00 50.22 C ATOM 2047 CG2 VAL A 124 10.335 9.943 22.847 1.00 21.03 C ATOM 0 H VAL A 124 8.425 11.425 21.918 1.00 10.21 H new ATOM 0 HA VAL A 124 7.756 9.185 23.393 1.00 10.25 H new ATOM 0 HB VAL A 124 9.615 11.485 24.128 1.00 4.55 H new ATOM 0 HG11 VAL A 124 10.784 9.829 25.524 1.00 50.22 H new ATOM 0 HG12 VAL A 124 9.108 10.085 26.065 1.00 50.22 H new ATOM 0 HG13 VAL A 124 9.531 8.626 25.139 1.00 50.22 H new ATOM 0 HG21 VAL A 124 11.376 10.079 23.138 1.00 21.03 H new ATOM 0 HG22 VAL A 124 10.147 8.887 22.654 1.00 21.03 H new ATOM 0 HG23 VAL A 124 10.133 10.519 21.944 1.00 21.03 H new ATOM 2057 N ASN A 125 7.003 12.030 24.917 1.00 3.35 N ATOM 2058 CA ASN A 125 6.198 12.613 25.985 1.00 42.12 C ATOM 2059 C ASN A 125 4.746 12.157 25.882 1.00 51.35 C ATOM 2060 O ASN A 125 4.026 12.112 26.879 1.00 2.24 O ATOM 2061 CB ASN A 125 6.270 14.140 25.930 1.00 1.52 C ATOM 2062 CG ASN A 125 7.453 14.692 26.703 1.00 33.42 C ATOM 2063 OD1 ASN A 125 7.292 15.525 27.595 1.00 53.34 O ATOM 2064 ND2 ASN A 125 8.650 14.227 26.364 1.00 75.11 N ATOM 0 H ASN A 125 7.496 12.712 24.340 1.00 3.35 H new ATOM 0 HA ASN A 125 6.601 12.271 26.938 1.00 42.12 H new ATOM 0 HB2 ASN A 125 6.337 14.461 24.890 1.00 1.52 H new ATOM 0 HB3 ASN A 125 5.348 14.559 26.334 1.00 1.52 H new ATOM 0 HD21 ASN A 125 9.483 14.560 26.850 1.00 75.11 H new ATOM 0 HD22 ASN A 125 8.736 13.537 25.618 1.00 75.11 H new ATOM 2071 N ASP A 126 4.322 11.820 24.668 1.00 24.25 N ATOM 2072 CA ASP A 126 2.957 11.366 24.434 1.00 34.43 C ATOM 2073 C ASP A 126 2.767 9.935 24.929 1.00 4.02 C ATOM 2074 O ASP A 126 1.686 9.565 25.388 1.00 24.22 O ATOM 2075 CB ASP A 126 2.616 11.453 22.946 1.00 74.31 C ATOM 2076 CG ASP A 126 1.125 11.574 22.700 1.00 74.33 C ATOM 2077 OD1 ASP A 126 0.603 12.706 22.764 1.00 10.35 O ATOM 2078 OD2 ASP A 126 0.479 10.536 22.443 1.00 61.30 O ATOM 0 H ASP A 126 4.905 11.853 23.831 1.00 24.25 H new ATOM 0 HA ASP A 126 2.284 12.017 24.992 1.00 34.43 H new ATOM 0 HB2 ASP A 126 3.124 12.313 22.509 1.00 74.31 H new ATOM 0 HB3 ASP A 126 2.995 10.567 22.437 1.00 74.31 H new ATOM 2083 N ILE A 127 3.824 9.136 24.832 1.00 64.03 N ATOM 2084 CA ILE A 127 3.774 7.747 25.270 1.00 61.45 C ATOM 2085 C ILE A 127 3.600 7.653 26.782 1.00 63.44 C ATOM 2086 O ILE A 127 2.722 6.944 27.272 1.00 54.41 O ATOM 2087 CB ILE A 127 5.047 6.981 24.862 1.00 41.51 C ATOM 2088 CG1 ILE A 127 5.325 7.169 23.369 1.00 4.52 C ATOM 2089 CG2 ILE A 127 4.908 5.504 25.198 1.00 13.33 C ATOM 2090 CD1 ILE A 127 6.639 6.569 22.919 1.00 34.30 C ATOM 0 H ILE A 127 4.726 9.427 24.454 1.00 64.03 H new ATOM 0 HA ILE A 127 2.914 7.292 24.779 1.00 61.45 H new ATOM 0 HB ILE A 127 5.890 7.383 25.423 1.00 41.51 H new ATOM 0 HG12 ILE A 127 4.514 6.718 22.797 1.00 4.52 H new ATOM 0 HG13 ILE A 127 5.323 8.234 23.139 1.00 4.52 H new ATOM 0 HG21 ILE A 127 5.816 4.977 24.904 1.00 13.33 H new ATOM 0 HG22 ILE A 127 4.753 5.388 26.271 1.00 13.33 H new ATOM 0 HG23 ILE A 127 4.056 5.087 24.661 1.00 13.33 H new ATOM 0 HD11 ILE A 127 6.770 6.740 21.850 1.00 34.30 H new ATOM 0 HD12 ILE A 127 7.458 7.037 23.464 1.00 34.30 H new ATOM 0 HD13 ILE A 127 6.637 5.497 23.117 1.00 34.30 H new ATOM 2102 N GLU A 128 4.443 8.374 27.515 1.00 60.53 N ATOM 2103 CA GLU A 128 4.381 8.372 28.972 1.00 62.34 C ATOM 2104 C GLU A 128 2.987 8.756 29.457 1.00 14.24 C ATOM 2105 O GLU A 128 2.351 8.013 30.205 1.00 24.42 O ATOM 2106 CB GLU A 128 5.419 9.337 29.549 1.00 35.34 C ATOM 2107 CG GLU A 128 6.836 9.062 29.075 1.00 53.40 C ATOM 2108 CD GLU A 128 7.876 9.820 29.877 1.00 23.40 C ATOM 2109 OE1 GLU A 128 8.060 11.028 29.621 1.00 33.12 O ATOM 2110 OE2 GLU A 128 8.507 9.203 30.761 1.00 20.12 O ATOM 0 H GLU A 128 5.176 8.966 27.124 1.00 60.53 H new ATOM 0 HA GLU A 128 4.602 7.363 29.319 1.00 62.34 H new ATOM 0 HB2 GLU A 128 5.145 10.356 29.277 1.00 35.34 H new ATOM 0 HB3 GLU A 128 5.391 9.279 30.637 1.00 35.34 H new ATOM 0 HG2 GLU A 128 7.037 7.993 29.144 1.00 53.40 H new ATOM 0 HG3 GLU A 128 6.923 9.335 28.023 1.00 53.40 H new ATOM 2117 N ARG A 129 2.517 9.923 29.027 1.00 24.22 N ATOM 2118 CA ARG A 129 1.199 10.408 29.419 1.00 25.42 C ATOM 2119 C ARG A 129 0.120 9.387 29.073 1.00 35.41 C ATOM 2120 O ARG A 129 -0.915 9.313 29.736 1.00 2.24 O ATOM 2121 CB ARG A 129 0.897 11.739 28.730 1.00 12.41 C ATOM 2122 CG ARG A 129 0.735 11.623 27.223 1.00 33.44 C ATOM 2123 CD ARG A 129 0.217 12.917 26.617 1.00 42.43 C ATOM 2124 NE ARG A 129 -1.242 12.983 26.630 1.00 43.14 N ATOM 2125 CZ ARG A 129 -1.929 14.100 26.416 1.00 60.54 C ATOM 2126 NH1 ARG A 129 -1.293 15.237 26.173 1.00 40.30 N ATOM 2127 NH2 ARG A 129 -3.255 14.079 26.444 1.00 55.15 N ATOM 0 H ARG A 129 3.030 10.550 28.407 1.00 24.22 H new ATOM 0 HA ARG A 129 1.200 10.558 30.499 1.00 25.42 H new ATOM 0 HB2 ARG A 129 -0.015 12.159 29.154 1.00 12.41 H new ATOM 0 HB3 ARG A 129 1.702 12.441 28.947 1.00 12.41 H new ATOM 0 HG2 ARG A 129 1.694 11.367 26.772 1.00 33.44 H new ATOM 0 HG3 ARG A 129 0.046 10.810 26.992 1.00 33.44 H new ATOM 0 HD2 ARG A 129 0.623 13.764 27.170 1.00 42.43 H new ATOM 0 HD3 ARG A 129 0.575 13.005 25.591 1.00 42.43 H new ATOM 0 HE ARG A 129 -1.762 12.125 26.813 1.00 43.14 H new ATOM 0 HH11 ARG A 129 -0.273 15.256 26.150 1.00 40.30 H new ATOM 0 HH12 ARG A 129 -1.823 16.093 26.009 1.00 40.30 H new ATOM 0 HH21 ARG A 129 -3.747 13.205 26.630 1.00 55.15 H new ATOM 0 HH22 ARG A 129 -3.782 14.937 26.280 1.00 55.15 H new ATOM 2141 N SER A 130 0.368 8.601 28.030 1.00 55.10 N ATOM 2142 CA SER A 130 -0.585 7.587 27.593 1.00 51.31 C ATOM 2143 C SER A 130 -0.767 6.515 28.663 1.00 0.31 C ATOM 2144 O SER A 130 -1.873 6.019 28.880 1.00 72.34 O ATOM 2145 CB SER A 130 -0.115 6.945 26.286 1.00 11.03 C ATOM 2146 OG SER A 130 -1.211 6.440 25.543 1.00 41.40 O ATOM 0 H SER A 130 1.221 8.647 27.472 1.00 55.10 H new ATOM 0 HA SER A 130 -1.545 8.075 27.425 1.00 51.31 H new ATOM 0 HB2 SER A 130 0.425 7.680 25.689 1.00 11.03 H new ATOM 0 HB3 SER A 130 0.583 6.137 26.505 1.00 11.03 H new ATOM 0 HG SER A 130 -0.912 6.198 24.642 1.00 41.40 H new ATOM 2152 N LEU A 131 0.326 6.163 29.330 1.00 25.01 N ATOM 2153 CA LEU A 131 0.290 5.150 30.379 1.00 73.41 C ATOM 2154 C LEU A 131 -0.333 5.708 31.654 1.00 15.11 C ATOM 2155 O LEU A 131 -1.209 5.085 32.253 1.00 32.23 O ATOM 2156 CB LEU A 131 1.701 4.637 30.670 1.00 63.13 C ATOM 2157 CG LEU A 131 2.582 4.367 29.449 1.00 2.42 C ATOM 2158 CD1 LEU A 131 4.030 4.170 29.869 1.00 24.43 C ATOM 2159 CD2 LEU A 131 2.076 3.153 28.684 1.00 3.11 C ATOM 0 H LEU A 131 1.249 6.564 29.163 1.00 25.01 H new ATOM 0 HA LEU A 131 -0.326 4.322 30.028 1.00 73.41 H new ATOM 0 HB2 LEU A 131 2.207 5.365 31.304 1.00 63.13 H new ATOM 0 HB3 LEU A 131 1.619 3.715 31.245 1.00 63.13 H new ATOM 0 HG LEU A 131 2.531 5.233 28.789 1.00 2.42 H new ATOM 0 HD11 LEU A 131 4.642 3.979 28.987 1.00 24.43 H new ATOM 0 HD12 LEU A 131 4.388 5.068 30.372 1.00 24.43 H new ATOM 0 HD13 LEU A 131 4.099 3.321 30.549 1.00 24.43 H new ATOM 0 HD21 LEU A 131 2.715 2.976 27.819 1.00 3.11 H new ATOM 0 HD22 LEU A 131 2.096 2.279 29.335 1.00 3.11 H new ATOM 0 HD23 LEU A 131 1.054 3.333 28.350 1.00 3.11 H new ATOM 2171 N ALA A 132 0.123 6.888 32.062 1.00 32.31 N ATOM 2172 CA ALA A 132 -0.393 7.532 33.263 1.00 1.44 C ATOM 2173 C ALA A 132 -1.916 7.609 33.234 1.00 5.55 C ATOM 2174 O ALA A 132 -2.570 7.527 34.273 1.00 34.41 O ATOM 2175 CB ALA A 132 0.205 8.923 33.414 1.00 2.32 C ATOM 0 H ALA A 132 0.849 7.417 31.578 1.00 32.31 H new ATOM 0 HA ALA A 132 -0.102 6.928 34.123 1.00 1.44 H new ATOM 0 HB1 ALA A 132 -0.189 9.393 34.315 1.00 2.32 H new ATOM 0 HB2 ALA A 132 1.290 8.847 33.489 1.00 2.32 H new ATOM 0 HB3 ALA A 132 -0.057 9.528 32.546 1.00 2.32 H new ATOM 2181 N ALA A 133 -2.473 7.769 32.039 1.00 43.35 N ATOM 2182 CA ALA A 133 -3.918 7.856 31.875 1.00 55.32 C ATOM 2183 C ALA A 133 -4.592 6.535 32.230 1.00 23.01 C ATOM 2184 O ALA A 133 -5.646 6.516 32.865 1.00 60.45 O ATOM 2185 CB ALA A 133 -4.265 8.261 30.450 1.00 62.14 C ATOM 0 H ALA A 133 -1.945 7.841 31.169 1.00 43.35 H new ATOM 0 HA ALA A 133 -4.290 8.619 32.559 1.00 55.32 H new ATOM 0 HB1 ALA A 133 -5.348 8.322 30.343 1.00 62.14 H new ATOM 0 HB2 ALA A 133 -3.823 9.233 30.230 1.00 62.14 H new ATOM 0 HB3 ALA A 133 -3.873 7.519 29.755 1.00 62.14 H new ATOM 2191 N ALA A 134 -3.976 5.432 31.816 1.00 1.43 N ATOM 2192 CA ALA A 134 -4.515 4.107 32.092 1.00 34.34 C ATOM 2193 C ALA A 134 -4.469 3.795 33.584 1.00 32.04 C ATOM 2194 O ALA A 134 -5.217 2.948 34.076 1.00 50.44 O ATOM 2195 CB ALA A 134 -3.751 3.052 31.307 1.00 63.42 C ATOM 0 H ALA A 134 -3.103 5.431 31.288 1.00 1.43 H new ATOM 0 HA ALA A 134 -5.558 4.094 31.777 1.00 34.34 H new ATOM 0 HB1 ALA A 134 -4.165 2.067 31.523 1.00 63.42 H new ATOM 0 HB2 ALA A 134 -3.840 3.257 30.240 1.00 63.42 H new ATOM 0 HB3 ALA A 134 -2.700 3.075 31.594 1.00 63.42 H new ATOM 2201 N LEU A 135 -3.587 4.483 34.301 1.00 61.14 N ATOM 2202 CA LEU A 135 -3.443 4.279 35.738 1.00 64.22 C ATOM 2203 C LEU A 135 -4.758 4.548 36.461 1.00 54.11 C ATOM 2204 O LEU A 135 -5.019 3.987 37.525 1.00 44.14 O ATOM 2205 CB LEU A 135 -2.346 5.189 36.294 1.00 31.35 C ATOM 2206 CG LEU A 135 -1.686 4.727 37.594 1.00 33.32 C ATOM 2207 CD1 LEU A 135 -0.785 3.529 37.339 1.00 70.31 C ATOM 2208 CD2 LEU A 135 -0.898 5.865 38.226 1.00 64.33 C ATOM 0 H LEU A 135 -2.961 5.187 33.910 1.00 61.14 H new ATOM 0 HA LEU A 135 -3.164 3.239 35.906 1.00 64.22 H new ATOM 0 HB2 LEU A 135 -1.571 5.296 35.535 1.00 31.35 H new ATOM 0 HB3 LEU A 135 -2.771 6.179 36.458 1.00 31.35 H new ATOM 0 HG LEU A 135 -2.469 4.425 38.289 1.00 33.32 H new ATOM 0 HD11 LEU A 135 -0.324 3.214 38.275 1.00 70.31 H new ATOM 0 HD12 LEU A 135 -1.377 2.709 36.932 1.00 70.31 H new ATOM 0 HD13 LEU A 135 -0.007 3.804 36.626 1.00 70.31 H new ATOM 0 HD21 LEU A 135 -0.435 5.518 39.150 1.00 64.33 H new ATOM 0 HD22 LEU A 135 -0.124 6.199 37.535 1.00 64.33 H new ATOM 0 HD23 LEU A 135 -1.570 6.695 38.446 1.00 64.33 H new ATOM 2220 N GLU A 136 -5.585 5.409 35.874 1.00 23.34 N ATOM 2221 CA GLU A 136 -6.874 5.751 36.463 1.00 73.50 C ATOM 2222 C GLU A 136 -7.853 4.586 36.343 1.00 22.34 C ATOM 2223 O GLU A 136 -8.074 4.055 35.254 1.00 11.32 O ATOM 2224 CB GLU A 136 -7.457 6.992 35.784 1.00 22.11 C ATOM 2225 CG GLU A 136 -6.946 8.300 36.365 1.00 21.42 C ATOM 2226 CD GLU A 136 -7.499 8.578 37.750 1.00 44.25 C ATOM 2227 OE1 GLU A 136 -8.645 8.168 38.025 1.00 71.41 O ATOM 2228 OE2 GLU A 136 -6.783 9.207 38.558 1.00 55.24 O ATOM 0 H GLU A 136 -5.385 5.881 34.992 1.00 23.34 H new ATOM 0 HA GLU A 136 -6.716 5.964 37.520 1.00 73.50 H new ATOM 0 HB2 GLU A 136 -7.220 6.959 34.721 1.00 22.11 H new ATOM 0 HB3 GLU A 136 -8.543 6.966 35.869 1.00 22.11 H new ATOM 0 HG2 GLU A 136 -5.857 8.272 36.411 1.00 21.42 H new ATOM 0 HG3 GLU A 136 -7.216 9.119 35.699 1.00 21.42 H new ATOM 2235 N HIS A 137 -8.436 4.192 37.471 1.00 1.13 N ATOM 2236 CA HIS A 137 -9.391 3.090 37.494 1.00 30.00 C ATOM 2237 C HIS A 137 -10.737 3.525 36.922 1.00 43.42 C ATOM 2238 O HIS A 137 -11.341 2.814 36.119 1.00 61.24 O ATOM 2239 CB HIS A 137 -9.574 2.575 38.922 1.00 64.21 C ATOM 2240 CG HIS A 137 -10.109 1.178 38.991 1.00 71.32 C ATOM 2241 ND1 HIS A 137 -11.247 0.842 39.694 1.00 63.43 N ATOM 2242 CD2 HIS A 137 -9.657 0.028 38.438 1.00 41.03 C ATOM 2243 CE1 HIS A 137 -11.470 -0.455 39.572 1.00 52.34 C ATOM 2244 NE2 HIS A 137 -10.520 -0.972 38.814 1.00 41.33 N ATOM 0 H HIS A 137 -8.264 4.620 38.381 1.00 1.13 H new ATOM 0 HA HIS A 137 -8.995 2.286 36.874 1.00 30.00 H new ATOM 0 HB2 HIS A 137 -8.615 2.614 39.439 1.00 64.21 H new ATOM 0 HB3 HIS A 137 -10.251 3.241 39.456 1.00 64.21 H new ATOM 0 HD2 HIS A 137 -8.781 -0.083 37.817 1.00 41.03 H new ATOM 0 HE1 HIS A 137 -12.290 -1.000 40.017 1.00 52.34 H new ATOM 0 HE2 HIS A 137 -10.440 -1.954 38.551 1.00 41.33 H new ATOM 2252 N HIS A 138 -11.201 4.698 37.341 1.00 10.30 N ATOM 2253 CA HIS A 138 -12.476 5.228 36.870 1.00 3.41 C ATOM 2254 C HIS A 138 -12.264 6.221 35.731 1.00 3.55 C ATOM 2255 O HIS A 138 -11.201 6.834 35.620 1.00 54.35 O ATOM 2256 CB HIS A 138 -13.227 5.904 38.018 1.00 24.41 C ATOM 2257 CG HIS A 138 -13.850 4.936 38.977 1.00 55.54 C ATOM 2258 ND1 HIS A 138 -14.607 3.858 38.571 1.00 35.43 N ATOM 2259 CD2 HIS A 138 -13.825 4.889 40.329 1.00 3.31 C ATOM 2260 CE1 HIS A 138 -15.022 3.190 39.633 1.00 21.40 C ATOM 2261 NE2 HIS A 138 -14.560 3.795 40.712 1.00 31.25 N ATOM 0 H HIS A 138 -10.714 5.299 38.005 1.00 10.30 H new ATOM 0 HA HIS A 138 -13.072 4.395 36.497 1.00 3.41 H new ATOM 0 HB2 HIS A 138 -12.538 6.550 38.562 1.00 24.41 H new ATOM 0 HB3 HIS A 138 -14.005 6.545 37.605 1.00 24.41 H new ATOM 0 HD2 HIS A 138 -13.321 5.583 40.985 1.00 3.31 H new ATOM 0 HE1 HIS A 138 -15.635 2.301 39.621 1.00 21.40 H new ATOM 0 HE2 HIS A 138 -14.723 3.498 41.674 1.00 31.25 H new TER 2269 HIS A 138