USER MOD reduce.3.24.130724 H: found=0, std=0, add=1120, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1120 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 121 ASN : amide:sc= -3.22! C(o=-3.2!,f=-5!) USER MOD Set 1.2: A 123 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 48 SER OG : rot 175:sc= 1.12 USER MOD Set 2.2: A 66 HIS : no HE2:sc= -2.79 K(o=-1.7,f=-9.9!) USER MOD Set 3.1: A 42 MET CE :methyl 171:sc= 0 (180deg=-0.124) USER MOD Set 3.2: A 76 THR OG1 : rot 73:sc= 1.1 USER MOD Set 4.1: A 37 THR OG1 : rot -44:sc= 1.55 USER MOD Set 4.2: A 39 CYS SG : rot -79:sc= 0.85 USER MOD Set 5.1: A 7 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 72 HIS : no HE2:sc= -2.83! C(o=-2.8!,f=-9!) USER MOD Single : A 1 GLN :FLIP amide:sc= -0.19 F(o=-1.1,f=-0.19) USER MOD Single : A 1 GLN N :NH3+ -116:sc= 0.144 (180deg=-0.0079) USER MOD Single : A 3 GLN :FLIP amide:sc= -0.0763 F(o=-1.9,f=-0.076) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -155:sc= 1.13 (180deg=0.677) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.218 K(o=0.22,f=-1.2) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.0985 F(o=-0.72,f=-0.098) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -159:sc= 2.23 (180deg=1.16) USER MOD Single : A 57 GLN : amide:sc= -0.582! X(o=-0.58!,f=-0.33) USER MOD Single : A 58 ASN :FLIP amide:sc= -1.27 F(o=-3.7!,f=-1.3) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -4.42! C(o=-4.4!,f=-4.6!) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.881 F(o=-1.9,f=-0.88) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 171:sc=-0.00322 (180deg=-0.138) USER MOD Single : A 89 LYS NZ :NH3+ -163:sc= -1.7! (180deg=-2.21!) USER MOD Single : A 96 LYS NZ :NH3+ -132:sc= -0.0932 (180deg=-0.568) USER MOD Single : A 97 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0503) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0289 USER MOD Single : A 110 LYS NZ :NH3+ 172:sc= 1.31 (180deg=1.12) USER MOD Single : A 111 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.18) USER MOD Single : A 112 MET CE :methyl 147:sc= -0.205 (180deg=-0.75) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 MET CE :methyl -111:sc= -0.297 (180deg=-1.5) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 3:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -11.374 14.695 -11.718 1.00 0.76 N ATOM 2 CA GLN A 1 -10.417 14.646 -10.592 1.00 0.55 C ATOM 3 C GLN A 1 -9.191 13.839 -10.990 1.00 0.49 C ATOM 4 O GLN A 1 -9.167 13.220 -12.056 1.00 0.60 O ATOM 5 CB GLN A 1 -11.077 14.040 -9.349 1.00 0.52 C ATOM 6 CG GLN A 1 -11.279 12.540 -9.411 1.00 0.69 C ATOM 7 CD GLN A 1 -12.298 12.057 -8.404 1.00 0.71 C ATOM 8 OE1 GLN A 1 -11.847 11.802 -7.189 1.00 1.40 O flip ATOM 9 NE2 GLN A 1 -13.484 11.941 -8.708 1.00 0.88 N flip ATOM 0 H1 GLN A 1 -11.480 15.678 -12.041 1.00 0.76 H new ATOM 0 H2 GLN A 1 -11.019 14.109 -12.501 1.00 0.76 H new ATOM 0 H3 GLN A 1 -12.297 14.332 -11.405 1.00 0.76 H new ATOM 0 HA GLN A 1 -10.107 15.663 -10.351 1.00 0.55 H new ATOM 0 HB2 GLN A 1 -10.466 14.276 -8.478 1.00 0.52 H new ATOM 0 HB3 GLN A 1 -12.045 14.518 -9.198 1.00 0.52 H new ATOM 0 HG2 GLN A 1 -11.601 12.260 -10.414 1.00 0.69 H new ATOM 0 HG3 GLN A 1 -10.328 12.040 -9.231 1.00 0.69 H new ATOM 0 HE21 GLN A 1 -13.789 12.149 -9.659 1.00 0.88 H new ATOM 0 HE22 GLN A 1 -14.162 11.637 -8.009 1.00 0.88 H new ATOM 20 N LEU A 2 -8.184 13.825 -10.139 1.00 0.39 N ATOM 21 CA LEU A 2 -6.977 13.100 -10.423 1.00 0.36 C ATOM 22 C LEU A 2 -6.848 11.942 -9.443 1.00 0.26 C ATOM 23 O LEU A 2 -7.076 12.104 -8.244 1.00 0.27 O ATOM 24 CB LEU A 2 -5.792 14.070 -10.338 1.00 0.48 C ATOM 25 CG LEU A 2 -4.473 13.469 -9.872 1.00 0.85 C ATOM 26 CD1 LEU A 2 -3.939 12.459 -10.878 1.00 1.45 C ATOM 27 CD2 LEU A 2 -3.446 14.562 -9.620 1.00 1.32 C ATOM 0 H LEU A 2 -8.185 14.312 -9.243 1.00 0.39 H new ATOM 0 HA LEU A 2 -6.996 12.678 -11.428 1.00 0.36 H new ATOM 0 HB2 LEU A 2 -5.639 14.514 -11.322 1.00 0.48 H new ATOM 0 HB3 LEU A 2 -6.059 14.881 -9.660 1.00 0.48 H new ATOM 0 HG LEU A 2 -4.660 12.943 -8.936 1.00 0.85 H new ATOM 0 HD11 LEU A 2 -2.997 12.048 -10.516 1.00 1.45 H new ATOM 0 HD12 LEU A 2 -4.662 11.653 -11.003 1.00 1.45 H new ATOM 0 HD13 LEU A 2 -3.776 12.952 -11.836 1.00 1.45 H new ATOM 0 HD21 LEU A 2 -2.510 14.112 -9.288 1.00 1.32 H new ATOM 0 HD22 LEU A 2 -3.274 15.119 -10.541 1.00 1.32 H new ATOM 0 HD23 LEU A 2 -3.817 15.239 -8.850 1.00 1.32 H new ATOM 39 N GLN A 3 -6.521 10.768 -9.955 1.00 0.24 N ATOM 40 CA GLN A 3 -6.340 9.603 -9.110 1.00 0.22 C ATOM 41 C GLN A 3 -5.044 8.905 -9.476 1.00 0.22 C ATOM 42 O GLN A 3 -4.759 8.697 -10.656 1.00 0.25 O ATOM 43 CB GLN A 3 -7.484 8.597 -9.273 1.00 0.24 C ATOM 44 CG GLN A 3 -8.847 9.190 -9.575 1.00 0.26 C ATOM 45 CD GLN A 3 -9.941 8.136 -9.526 1.00 0.26 C ATOM 46 OE1 GLN A 3 -9.568 6.883 -9.758 1.00 0.33 O flip ATOM 47 NE2 GLN A 3 -11.102 8.441 -9.262 1.00 0.25 N flip ATOM 0 H GLN A 3 -6.376 10.598 -10.950 1.00 0.24 H new ATOM 0 HA GLN A 3 -6.321 9.951 -8.077 1.00 0.22 H new ATOM 0 HB2 GLN A 3 -7.224 7.906 -10.075 1.00 0.24 H new ATOM 0 HB3 GLN A 3 -7.559 8.009 -8.358 1.00 0.24 H new ATOM 0 HG2 GLN A 3 -9.069 9.978 -8.856 1.00 0.26 H new ATOM 0 HG3 GLN A 3 -8.832 9.654 -10.561 1.00 0.26 H new ATOM 0 HE21 GLN A 3 -11.347 9.416 -9.090 1.00 0.25 H new ATOM 0 HE22 GLN A 3 -11.821 7.719 -9.215 1.00 0.25 H new ATOM 56 N GLU A 4 -4.261 8.538 -8.478 1.00 0.22 N ATOM 57 CA GLU A 4 -3.085 7.724 -8.723 1.00 0.25 C ATOM 58 C GLU A 4 -3.235 6.399 -8.010 1.00 0.23 C ATOM 59 O GLU A 4 -3.361 6.357 -6.783 1.00 0.27 O ATOM 60 CB GLU A 4 -1.812 8.416 -8.257 1.00 0.30 C ATOM 61 CG GLU A 4 -1.846 9.915 -8.447 1.00 0.28 C ATOM 62 CD GLU A 4 -0.470 10.504 -8.673 1.00 0.51 C ATOM 63 OE1 GLU A 4 0.362 10.480 -7.742 1.00 0.75 O ATOM 64 OE2 GLU A 4 -0.205 10.971 -9.800 1.00 0.88 O ATOM 0 H GLU A 4 -4.415 8.787 -7.501 1.00 0.22 H new ATOM 0 HA GLU A 4 -3.002 7.566 -9.798 1.00 0.25 H new ATOM 0 HB2 GLU A 4 -1.650 8.193 -7.202 1.00 0.30 H new ATOM 0 HB3 GLU A 4 -0.962 8.006 -8.803 1.00 0.30 H new ATOM 0 HG2 GLU A 4 -2.484 10.155 -9.297 1.00 0.28 H new ATOM 0 HG3 GLU A 4 -2.296 10.379 -7.569 1.00 0.28 H new ATOM 71 N LYS A 5 -3.230 5.320 -8.765 1.00 0.24 N ATOM 72 CA LYS A 5 -3.449 4.016 -8.176 1.00 0.25 C ATOM 73 C LYS A 5 -2.137 3.284 -8.068 1.00 0.25 C ATOM 74 O LYS A 5 -1.494 2.970 -9.069 1.00 0.30 O ATOM 75 CB LYS A 5 -4.434 3.152 -8.974 1.00 0.30 C ATOM 76 CG LYS A 5 -5.665 3.882 -9.503 1.00 0.40 C ATOM 77 CD LYS A 5 -5.383 4.622 -10.803 1.00 0.66 C ATOM 78 CE LYS A 5 -6.661 5.139 -11.441 1.00 1.21 C ATOM 79 NZ LYS A 5 -6.419 5.681 -12.804 1.00 1.43 N ATOM 0 H LYS A 5 -3.079 5.319 -9.774 1.00 0.24 H new ATOM 0 HA LYS A 5 -3.886 4.187 -7.192 1.00 0.25 H new ATOM 0 HB2 LYS A 5 -3.903 2.711 -9.818 1.00 0.30 H new ATOM 0 HB3 LYS A 5 -4.765 2.329 -8.341 1.00 0.30 H new ATOM 0 HG2 LYS A 5 -6.470 3.164 -9.663 1.00 0.40 H new ATOM 0 HG3 LYS A 5 -6.015 4.591 -8.752 1.00 0.40 H new ATOM 0 HD2 LYS A 5 -4.709 5.457 -10.608 1.00 0.66 H new ATOM 0 HD3 LYS A 5 -4.872 3.956 -11.498 1.00 0.66 H new ATOM 0 HE2 LYS A 5 -7.392 4.332 -11.495 1.00 1.21 H new ATOM 0 HE3 LYS A 5 -7.092 5.918 -10.812 1.00 1.21 H new ATOM 0 HZ1 LYS A 5 -7.315 6.024 -13.205 1.00 1.43 H new ATOM 0 HZ2 LYS A 5 -5.741 6.468 -12.749 1.00 1.43 H new ATOM 0 HZ3 LYS A 5 -6.032 4.931 -13.412 1.00 1.43 H new ATOM 93 N LEU A 6 -1.758 3.007 -6.852 1.00 0.23 N ATOM 94 CA LEU A 6 -0.519 2.312 -6.585 1.00 0.25 C ATOM 95 C LEU A 6 -0.827 0.862 -6.227 1.00 0.24 C ATOM 96 O LEU A 6 -1.241 0.549 -5.108 1.00 0.24 O ATOM 97 CB LEU A 6 0.232 3.045 -5.478 1.00 0.26 C ATOM 98 CG LEU A 6 0.330 4.560 -5.703 1.00 0.27 C ATOM 99 CD1 LEU A 6 0.828 5.269 -4.458 1.00 0.32 C ATOM 100 CD2 LEU A 6 1.238 4.868 -6.882 1.00 0.30 C ATOM 0 H LEU A 6 -2.292 3.253 -6.018 1.00 0.23 H new ATOM 0 HA LEU A 6 0.124 2.300 -7.465 1.00 0.25 H new ATOM 0 HB2 LEU A 6 -0.267 2.859 -4.527 1.00 0.26 H new ATOM 0 HB3 LEU A 6 1.237 2.632 -5.397 1.00 0.26 H new ATOM 0 HG LEU A 6 -0.671 4.928 -5.926 1.00 0.27 H new ATOM 0 HD11 LEU A 6 0.887 6.341 -4.649 1.00 0.32 H new ATOM 0 HD12 LEU A 6 0.139 5.084 -3.634 1.00 0.32 H new ATOM 0 HD13 LEU A 6 1.817 4.892 -4.196 1.00 0.32 H new ATOM 0 HD21 LEU A 6 1.295 5.947 -7.025 1.00 0.30 H new ATOM 0 HD22 LEU A 6 2.236 4.475 -6.685 1.00 0.30 H new ATOM 0 HD23 LEU A 6 0.836 4.403 -7.782 1.00 0.30 H new ATOM 112 N TYR A 7 -0.681 -0.001 -7.221 1.00 0.27 N ATOM 113 CA TYR A 7 -1.086 -1.400 -7.118 1.00 0.27 C ATOM 114 C TYR A 7 -0.200 -2.224 -6.188 1.00 0.29 C ATOM 115 O TYR A 7 1.024 -2.071 -6.166 1.00 0.38 O ATOM 116 CB TYR A 7 -1.108 -2.042 -8.506 1.00 0.32 C ATOM 117 CG TYR A 7 -2.482 -2.084 -9.136 1.00 0.35 C ATOM 118 CD1 TYR A 7 -3.058 -0.951 -9.699 1.00 0.47 C ATOM 119 CD2 TYR A 7 -3.207 -3.267 -9.157 1.00 0.36 C ATOM 120 CE1 TYR A 7 -4.319 -1.000 -10.263 1.00 0.57 C ATOM 121 CE2 TYR A 7 -4.466 -3.321 -9.715 1.00 0.46 C ATOM 122 CZ TYR A 7 -5.016 -2.191 -10.270 1.00 0.56 C ATOM 123 OH TYR A 7 -6.281 -2.248 -10.809 1.00 0.69 O ATOM 0 H TYR A 7 -0.278 0.247 -8.125 1.00 0.27 H new ATOM 0 HA TYR A 7 -2.085 -1.398 -6.682 1.00 0.27 H new ATOM 0 HB2 TYR A 7 -0.434 -1.491 -9.162 1.00 0.32 H new ATOM 0 HB3 TYR A 7 -0.721 -3.058 -8.432 1.00 0.32 H new ATOM 0 HD1 TYR A 7 -2.512 -0.019 -9.696 1.00 0.47 H new ATOM 0 HD2 TYR A 7 -2.777 -4.161 -8.729 1.00 0.36 H new ATOM 0 HE1 TYR A 7 -4.756 -0.112 -10.695 1.00 0.57 H new ATOM 0 HE2 TYR A 7 -5.019 -4.249 -9.716 1.00 0.46 H new ATOM 0 HH TYR A 7 -6.628 -3.161 -10.733 1.00 0.69 H new ATOM 133 N VAL A 8 -0.853 -3.088 -5.419 1.00 0.24 N ATOM 134 CA VAL A 8 -0.187 -4.129 -4.650 1.00 0.26 C ATOM 135 C VAL A 8 -0.904 -5.447 -4.899 1.00 0.26 C ATOM 136 O VAL A 8 -2.049 -5.623 -4.498 1.00 0.26 O ATOM 137 CB VAL A 8 -0.196 -3.844 -3.132 1.00 0.36 C ATOM 138 CG1 VAL A 8 0.897 -2.869 -2.745 1.00 1.12 C ATOM 139 CG2 VAL A 8 -1.559 -3.324 -2.695 1.00 1.27 C ATOM 0 H VAL A 8 -1.867 -3.084 -5.312 1.00 0.24 H new ATOM 0 HA VAL A 8 0.853 -4.166 -4.974 1.00 0.26 H new ATOM 0 HB VAL A 8 0.001 -4.783 -2.615 1.00 0.36 H new ATOM 0 HG11 VAL A 8 0.862 -2.691 -1.670 1.00 1.12 H new ATOM 0 HG12 VAL A 8 1.868 -3.286 -3.012 1.00 1.12 H new ATOM 0 HG13 VAL A 8 0.749 -1.927 -3.274 1.00 1.12 H new ATOM 0 HG21 VAL A 8 -1.547 -3.129 -1.623 1.00 1.27 H new ATOM 0 HG22 VAL A 8 -1.785 -2.401 -3.230 1.00 1.27 H new ATOM 0 HG23 VAL A 8 -2.322 -4.069 -2.920 1.00 1.27 H new ATOM 149 N PRO A 9 -0.251 -6.399 -5.550 1.00 0.32 N ATOM 150 CA PRO A 9 -0.921 -7.618 -5.967 1.00 0.37 C ATOM 151 C PRO A 9 -1.255 -8.521 -4.785 1.00 0.34 C ATOM 152 O PRO A 9 -0.441 -9.331 -4.346 1.00 0.35 O ATOM 153 CB PRO A 9 0.085 -8.265 -6.913 1.00 0.44 C ATOM 154 CG PRO A 9 1.411 -7.770 -6.453 1.00 0.43 C ATOM 155 CD PRO A 9 1.173 -6.383 -5.912 1.00 0.39 C ATOM 0 HA PRO A 9 -1.885 -7.429 -6.439 1.00 0.37 H new ATOM 0 HB2 PRO A 9 0.030 -9.353 -6.865 1.00 0.44 H new ATOM 0 HB3 PRO A 9 -0.106 -7.981 -7.948 1.00 0.44 H new ATOM 0 HG2 PRO A 9 1.826 -8.422 -5.685 1.00 0.43 H new ATOM 0 HG3 PRO A 9 2.127 -7.751 -7.275 1.00 0.43 H new ATOM 0 HD2 PRO A 9 1.805 -6.174 -5.049 1.00 0.39 H new ATOM 0 HD3 PRO A 9 1.390 -5.618 -6.658 1.00 0.39 H new ATOM 163 N VAL A 10 -2.455 -8.351 -4.256 1.00 0.34 N ATOM 164 CA VAL A 10 -2.917 -9.141 -3.122 1.00 0.36 C ATOM 165 C VAL A 10 -3.015 -10.612 -3.506 1.00 0.43 C ATOM 166 O VAL A 10 -2.880 -11.504 -2.677 1.00 0.47 O ATOM 167 CB VAL A 10 -4.285 -8.652 -2.608 1.00 0.42 C ATOM 168 CG1 VAL A 10 -5.378 -8.882 -3.642 1.00 0.51 C ATOM 169 CG2 VAL A 10 -4.634 -9.315 -1.283 1.00 0.52 C ATOM 0 H VAL A 10 -3.133 -7.668 -4.595 1.00 0.34 H new ATOM 0 HA VAL A 10 -2.187 -9.019 -2.321 1.00 0.36 H new ATOM 0 HB VAL A 10 -4.214 -7.578 -2.439 1.00 0.42 H new ATOM 0 HG11 VAL A 10 -6.331 -8.527 -3.250 1.00 0.51 H new ATOM 0 HG12 VAL A 10 -5.136 -8.338 -4.555 1.00 0.51 H new ATOM 0 HG13 VAL A 10 -5.451 -9.947 -3.863 1.00 0.51 H new ATOM 0 HG21 VAL A 10 -5.604 -8.954 -0.940 1.00 0.52 H new ATOM 0 HG22 VAL A 10 -4.676 -10.396 -1.417 1.00 0.52 H new ATOM 0 HG23 VAL A 10 -3.873 -9.070 -0.542 1.00 0.52 H new ATOM 179 N LYS A 11 -3.254 -10.852 -4.783 1.00 0.49 N ATOM 180 CA LYS A 11 -3.285 -12.209 -5.314 1.00 0.58 C ATOM 181 C LYS A 11 -1.879 -12.801 -5.365 1.00 0.53 C ATOM 182 O LYS A 11 -1.705 -14.015 -5.479 1.00 0.60 O ATOM 183 CB LYS A 11 -3.969 -12.247 -6.689 1.00 0.72 C ATOM 184 CG LYS A 11 -3.694 -11.045 -7.581 1.00 1.27 C ATOM 185 CD LYS A 11 -2.358 -11.141 -8.294 1.00 1.76 C ATOM 186 CE LYS A 11 -2.110 -9.918 -9.171 1.00 2.24 C ATOM 187 NZ LYS A 11 -3.279 -9.601 -10.038 1.00 2.93 N ATOM 0 H LYS A 11 -3.430 -10.124 -5.476 1.00 0.49 H new ATOM 0 HA LYS A 11 -3.878 -12.828 -4.641 1.00 0.58 H new ATOM 0 HB2 LYS A 11 -3.649 -13.148 -7.212 1.00 0.72 H new ATOM 0 HB3 LYS A 11 -5.046 -12.330 -6.540 1.00 0.72 H new ATOM 0 HG2 LYS A 11 -4.490 -10.956 -8.320 1.00 1.27 H new ATOM 0 HG3 LYS A 11 -3.715 -10.137 -6.978 1.00 1.27 H new ATOM 0 HD2 LYS A 11 -1.557 -11.234 -7.560 1.00 1.76 H new ATOM 0 HD3 LYS A 11 -2.334 -12.042 -8.907 1.00 1.76 H new ATOM 0 HE2 LYS A 11 -1.885 -9.059 -8.539 1.00 2.24 H new ATOM 0 HE3 LYS A 11 -1.234 -10.092 -9.795 1.00 2.24 H new ATOM 0 HZ1 LYS A 11 -2.957 -9.079 -10.878 1.00 2.93 H new ATOM 0 HZ2 LYS A 11 -3.741 -10.484 -10.335 1.00 2.93 H new ATOM 0 HZ3 LYS A 11 -3.957 -9.018 -9.507 1.00 2.93 H new ATOM 201 N GLU A 12 -0.880 -11.931 -5.283 1.00 0.45 N ATOM 202 CA GLU A 12 0.502 -12.361 -5.146 1.00 0.44 C ATOM 203 C GLU A 12 0.807 -12.698 -3.698 1.00 0.39 C ATOM 204 O GLU A 12 1.641 -13.552 -3.405 1.00 0.43 O ATOM 205 CB GLU A 12 1.456 -11.278 -5.630 1.00 0.46 C ATOM 206 CG GLU A 12 1.494 -11.147 -7.141 1.00 0.60 C ATOM 207 CD GLU A 12 1.713 -12.476 -7.831 1.00 0.77 C ATOM 208 OE1 GLU A 12 2.828 -13.024 -7.737 1.00 0.97 O ATOM 209 OE2 GLU A 12 0.766 -12.977 -8.470 1.00 0.96 O ATOM 0 H GLU A 12 -1.004 -10.919 -5.309 1.00 0.45 H new ATOM 0 HA GLU A 12 0.641 -13.251 -5.760 1.00 0.44 H new ATOM 0 HB2 GLU A 12 1.161 -10.323 -5.196 1.00 0.46 H new ATOM 0 HB3 GLU A 12 2.460 -11.497 -5.265 1.00 0.46 H new ATOM 0 HG2 GLU A 12 0.558 -10.710 -7.489 1.00 0.60 H new ATOM 0 HG3 GLU A 12 2.291 -10.459 -7.423 1.00 0.60 H new ATOM 216 N TYR A 13 0.131 -12.003 -2.795 1.00 0.34 N ATOM 217 CA TYR A 13 0.342 -12.184 -1.368 1.00 0.35 C ATOM 218 C TYR A 13 -0.974 -12.530 -0.686 1.00 0.39 C ATOM 219 O TYR A 13 -1.607 -11.674 -0.072 1.00 0.40 O ATOM 220 CB TYR A 13 0.947 -10.912 -0.768 1.00 0.34 C ATOM 221 CG TYR A 13 2.171 -10.450 -1.516 1.00 0.35 C ATOM 222 CD1 TYR A 13 3.426 -10.959 -1.220 1.00 0.44 C ATOM 223 CD2 TYR A 13 2.061 -9.526 -2.545 1.00 0.34 C ATOM 224 CE1 TYR A 13 4.541 -10.560 -1.931 1.00 0.48 C ATOM 225 CE2 TYR A 13 3.165 -9.115 -3.258 1.00 0.40 C ATOM 226 CZ TYR A 13 4.407 -9.637 -2.950 1.00 0.46 C ATOM 227 OH TYR A 13 5.515 -9.245 -3.664 1.00 0.53 O ATOM 0 H TYR A 13 -0.573 -11.303 -3.029 1.00 0.34 H new ATOM 0 HA TYR A 13 1.037 -13.008 -1.208 1.00 0.35 H new ATOM 0 HB2 TYR A 13 0.199 -10.119 -0.775 1.00 0.34 H new ATOM 0 HB3 TYR A 13 1.209 -11.094 0.274 1.00 0.34 H new ATOM 0 HD1 TYR A 13 3.534 -11.678 -0.422 1.00 0.44 H new ATOM 0 HD2 TYR A 13 1.091 -9.121 -2.792 1.00 0.34 H new ATOM 0 HE1 TYR A 13 5.512 -10.967 -1.692 1.00 0.48 H new ATOM 0 HE2 TYR A 13 3.061 -8.390 -4.052 1.00 0.40 H new ATOM 0 HH TYR A 13 5.251 -8.592 -4.346 1.00 0.53 H new ATOM 237 N PRO A 14 -1.404 -13.798 -0.798 1.00 0.47 N ATOM 238 CA PRO A 14 -2.725 -14.232 -0.335 1.00 0.55 C ATOM 239 C PRO A 14 -2.917 -14.043 1.164 1.00 0.59 C ATOM 240 O PRO A 14 -4.039 -13.861 1.637 1.00 0.68 O ATOM 241 CB PRO A 14 -2.767 -15.724 -0.690 1.00 0.64 C ATOM 242 CG PRO A 14 -1.702 -15.912 -1.714 1.00 0.75 C ATOM 243 CD PRO A 14 -0.637 -14.912 -1.382 1.00 0.52 C ATOM 0 HA PRO A 14 -3.519 -13.646 -0.799 1.00 0.55 H new ATOM 0 HB2 PRO A 14 -2.583 -16.343 0.188 1.00 0.64 H new ATOM 0 HB3 PRO A 14 -3.744 -16.008 -1.081 1.00 0.64 H new ATOM 0 HG2 PRO A 14 -1.307 -16.928 -1.686 1.00 0.75 H new ATOM 0 HG3 PRO A 14 -2.092 -15.749 -2.719 1.00 0.75 H new ATOM 0 HD2 PRO A 14 0.090 -15.315 -0.677 1.00 0.52 H new ATOM 0 HD3 PRO A 14 -0.084 -14.601 -2.268 1.00 0.52 H new ATOM 251 N ASP A 15 -1.822 -14.070 1.907 1.00 0.57 N ATOM 252 CA ASP A 15 -1.894 -13.941 3.355 1.00 0.67 C ATOM 253 C ASP A 15 -1.654 -12.502 3.794 1.00 0.62 C ATOM 254 O ASP A 15 -1.924 -12.137 4.940 1.00 0.76 O ATOM 255 CB ASP A 15 -0.871 -14.862 4.019 1.00 0.78 C ATOM 256 CG ASP A 15 -1.021 -14.902 5.524 1.00 1.64 C ATOM 257 OD1 ASP A 15 -1.848 -15.698 6.017 1.00 2.43 O ATOM 258 OD2 ASP A 15 -0.305 -14.156 6.220 1.00 2.15 O ATOM 0 H ASP A 15 -0.878 -14.179 1.535 1.00 0.57 H new ATOM 0 HA ASP A 15 -2.897 -14.231 3.667 1.00 0.67 H new ATOM 0 HB2 ASP A 15 -0.980 -15.870 3.619 1.00 0.78 H new ATOM 0 HB3 ASP A 15 0.134 -14.526 3.766 1.00 0.78 H new ATOM 263 N PHE A 16 -1.184 -11.673 2.873 1.00 0.48 N ATOM 264 CA PHE A 16 -0.859 -10.301 3.209 1.00 0.43 C ATOM 265 C PHE A 16 -2.016 -9.387 2.883 1.00 0.37 C ATOM 266 O PHE A 16 -2.318 -9.106 1.724 1.00 0.36 O ATOM 267 CB PHE A 16 0.402 -9.833 2.498 1.00 0.41 C ATOM 268 CG PHE A 16 1.070 -8.715 3.237 1.00 0.40 C ATOM 269 CD1 PHE A 16 1.953 -8.970 4.271 1.00 0.52 C ATOM 270 CD2 PHE A 16 0.827 -7.401 2.876 1.00 0.34 C ATOM 271 CE1 PHE A 16 2.571 -7.941 4.928 1.00 0.56 C ATOM 272 CE2 PHE A 16 1.448 -6.362 3.536 1.00 0.36 C ATOM 273 CZ PHE A 16 2.290 -6.664 4.642 1.00 0.49 C ATOM 0 H PHE A 16 -1.022 -11.926 1.898 1.00 0.48 H new ATOM 0 HA PHE A 16 -0.670 -10.262 4.282 1.00 0.43 H new ATOM 0 HB2 PHE A 16 1.095 -10.668 2.398 1.00 0.41 H new ATOM 0 HB3 PHE A 16 0.151 -9.504 1.490 1.00 0.41 H new ATOM 0 HD1 PHE A 16 2.156 -9.990 4.562 1.00 0.52 H new ATOM 0 HD2 PHE A 16 0.143 -7.187 2.068 1.00 0.34 H new ATOM 0 HE1 PHE A 16 3.300 -8.164 5.693 1.00 0.56 H new ATOM 0 HE2 PHE A 16 1.298 -5.340 3.220 1.00 0.36 H new ATOM 0 HZ PHE A 16 2.700 -5.868 5.247 1.00 0.49 H new ATOM 283 N ASN A 17 -2.657 -8.924 3.930 1.00 0.37 N ATOM 284 CA ASN A 17 -3.772 -8.020 3.804 1.00 0.35 C ATOM 285 C ASN A 17 -3.277 -6.588 3.714 1.00 0.30 C ATOM 286 O ASN A 17 -2.924 -5.990 4.713 1.00 0.30 O ATOM 287 CB ASN A 17 -4.742 -8.197 4.984 1.00 0.45 C ATOM 288 CG ASN A 17 -4.066 -8.403 6.346 1.00 0.74 C ATOM 289 OD1 ASN A 17 -4.522 -9.222 7.140 1.00 1.29 O ATOM 290 ND2 ASN A 17 -3.015 -7.647 6.654 1.00 0.71 N ATOM 0 H ASN A 17 -2.419 -9.164 4.892 1.00 0.37 H new ATOM 0 HA ASN A 17 -4.313 -8.252 2.887 1.00 0.35 H new ATOM 0 HB2 ASN A 17 -5.385 -7.319 5.042 1.00 0.45 H new ATOM 0 HB3 ASN A 17 -5.387 -9.052 4.781 1.00 0.45 H new ATOM 0 HD21 ASN A 17 -2.569 -7.741 7.567 1.00 0.71 H new ATOM 0 HD22 ASN A 17 -2.655 -6.974 5.977 1.00 0.71 H new ATOM 297 N PHE A 18 -3.206 -6.041 2.516 1.00 0.28 N ATOM 298 CA PHE A 18 -2.760 -4.672 2.369 1.00 0.26 C ATOM 299 C PHE A 18 -3.695 -3.710 3.100 1.00 0.27 C ATOM 300 O PHE A 18 -3.237 -2.863 3.848 1.00 0.27 O ATOM 301 CB PHE A 18 -2.588 -4.324 0.894 1.00 0.24 C ATOM 302 CG PHE A 18 -1.477 -5.123 0.272 1.00 0.23 C ATOM 303 CD1 PHE A 18 -0.143 -4.923 0.619 1.00 0.24 C ATOM 304 CD2 PHE A 18 -1.779 -6.058 -0.695 1.00 0.23 C ATOM 305 CE1 PHE A 18 0.862 -5.657 0.001 1.00 0.26 C ATOM 306 CE2 PHE A 18 -0.793 -6.788 -1.306 1.00 0.25 C ATOM 307 CZ PHE A 18 0.616 -6.604 -0.784 1.00 0.25 C ATOM 0 H PHE A 18 -3.447 -6.514 1.645 1.00 0.28 H new ATOM 0 HA PHE A 18 -1.782 -4.565 2.838 1.00 0.26 H new ATOM 0 HB2 PHE A 18 -3.520 -4.516 0.362 1.00 0.24 H new ATOM 0 HB3 PHE A 18 -2.376 -3.260 0.791 1.00 0.24 H new ATOM 0 HD1 PHE A 18 0.112 -4.193 1.373 1.00 0.24 H new ATOM 0 HD2 PHE A 18 -2.810 -6.218 -0.976 1.00 0.23 H new ATOM 0 HE1 PHE A 18 1.892 -5.403 0.204 1.00 0.26 H new ATOM 0 HE2 PHE A 18 -1.011 -7.462 -2.121 1.00 0.25 H new ATOM 0 HZ PHE A 18 1.402 -7.281 -1.084 1.00 0.25 H new ATOM 317 N VAL A 19 -4.994 -3.866 2.911 1.00 0.31 N ATOM 318 CA VAL A 19 -5.989 -3.158 3.721 1.00 0.32 C ATOM 319 C VAL A 19 -5.805 -3.459 5.205 1.00 0.29 C ATOM 320 O VAL A 19 -5.738 -2.544 6.021 1.00 0.27 O ATOM 321 CB VAL A 19 -7.419 -3.534 3.288 1.00 0.41 C ATOM 322 CG1 VAL A 19 -8.448 -2.944 4.233 1.00 1.34 C ATOM 323 CG2 VAL A 19 -7.677 -3.073 1.863 1.00 1.13 C ATOM 0 H VAL A 19 -5.393 -4.479 2.200 1.00 0.31 H new ATOM 0 HA VAL A 19 -5.841 -2.090 3.560 1.00 0.32 H new ATOM 0 HB VAL A 19 -7.512 -4.619 3.327 1.00 0.41 H new ATOM 0 HG11 VAL A 19 -9.448 -3.225 3.903 1.00 1.34 H new ATOM 0 HG12 VAL A 19 -8.277 -3.324 5.240 1.00 1.34 H new ATOM 0 HG13 VAL A 19 -8.359 -1.858 4.236 1.00 1.34 H new ATOM 0 HG21 VAL A 19 -8.691 -3.345 1.570 1.00 1.13 H new ATOM 0 HG22 VAL A 19 -7.561 -1.991 1.804 1.00 1.13 H new ATOM 0 HG23 VAL A 19 -6.965 -3.552 1.191 1.00 1.13 H new ATOM 333 N GLY A 20 -5.678 -4.735 5.541 1.00 0.33 N ATOM 334 CA GLY A 20 -5.452 -5.122 6.925 1.00 0.35 C ATOM 335 C GLY A 20 -4.130 -4.603 7.466 1.00 0.32 C ATOM 336 O GLY A 20 -3.876 -4.656 8.666 1.00 0.38 O ATOM 0 H GLY A 20 -5.727 -5.512 4.882 1.00 0.33 H new ATOM 0 HA2 GLY A 20 -6.267 -4.744 7.542 1.00 0.35 H new ATOM 0 HA3 GLY A 20 -5.471 -6.209 7.003 1.00 0.35 H new ATOM 340 N ARG A 21 -3.281 -4.120 6.572 1.00 0.29 N ATOM 341 CA ARG A 21 -1.988 -3.589 6.953 1.00 0.32 C ATOM 342 C ARG A 21 -1.991 -2.056 6.951 1.00 0.31 C ATOM 343 O ARG A 21 -1.349 -1.430 7.791 1.00 0.39 O ATOM 344 CB ARG A 21 -0.889 -4.137 6.025 1.00 0.33 C ATOM 345 CG ARG A 21 0.418 -3.375 6.141 1.00 0.56 C ATOM 346 CD ARG A 21 1.307 -3.542 4.928 1.00 0.52 C ATOM 347 NE ARG A 21 0.564 -3.408 3.684 1.00 1.51 N ATOM 348 CZ ARG A 21 0.055 -2.265 3.286 1.00 2.26 C ATOM 349 NH1 ARG A 21 0.179 -1.205 4.067 1.00 2.34 N ATOM 350 NH2 ARG A 21 -0.566 -2.175 2.114 1.00 3.20 N ATOM 0 H ARG A 21 -3.470 -4.086 5.570 1.00 0.29 H new ATOM 0 HA ARG A 21 -1.776 -3.915 7.971 1.00 0.32 H new ATOM 0 HB2 ARG A 21 -0.713 -5.187 6.259 1.00 0.33 H new ATOM 0 HB3 ARG A 21 -1.238 -4.095 4.993 1.00 0.33 H new ATOM 0 HG2 ARG A 21 0.204 -2.316 6.285 1.00 0.56 H new ATOM 0 HG3 ARG A 21 0.954 -3.715 7.027 1.00 0.56 H new ATOM 0 HD2 ARG A 21 2.103 -2.798 4.957 1.00 0.52 H new ATOM 0 HD3 ARG A 21 1.785 -4.521 4.961 1.00 0.52 H new ATOM 0 HE ARG A 21 0.434 -4.233 3.099 1.00 1.51 H new ATOM 0 HH11 ARG A 21 0.663 -1.284 4.961 1.00 2.34 H new ATOM 0 HH12 ARG A 21 -0.210 -0.308 3.775 1.00 2.34 H new ATOM 0 HH21 ARG A 21 -0.650 -2.998 1.517 1.00 3.20 H new ATOM 0 HH22 ARG A 21 -0.959 -1.283 1.812 1.00 3.20 H new ATOM 364 N ILE A 22 -2.718 -1.449 6.020 1.00 0.27 N ATOM 365 CA ILE A 22 -2.776 0.008 5.944 1.00 0.31 C ATOM 366 C ILE A 22 -3.792 0.524 6.940 1.00 0.28 C ATOM 367 O ILE A 22 -3.522 1.404 7.751 1.00 0.32 O ATOM 368 CB ILE A 22 -3.217 0.505 4.554 1.00 0.40 C ATOM 369 CG1 ILE A 22 -2.373 -0.134 3.481 1.00 0.51 C ATOM 370 CG2 ILE A 22 -3.125 2.016 4.471 1.00 0.52 C ATOM 371 CD1 ILE A 22 -2.347 0.611 2.182 1.00 0.99 C ATOM 0 H ILE A 22 -3.270 -1.936 5.314 1.00 0.27 H new ATOM 0 HA ILE A 22 -1.771 0.374 6.154 1.00 0.31 H new ATOM 0 HB ILE A 22 -4.257 0.218 4.398 1.00 0.40 H new ATOM 0 HG12 ILE A 22 -1.352 -0.231 3.850 1.00 0.51 H new ATOM 0 HG13 ILE A 22 -2.743 -1.143 3.299 1.00 0.51 H new ATOM 0 HG21 ILE A 22 -3.441 2.346 3.481 1.00 0.52 H new ATOM 0 HG22 ILE A 22 -3.772 2.462 5.226 1.00 0.52 H new ATOM 0 HG23 ILE A 22 -2.095 2.328 4.646 1.00 0.52 H new ATOM 0 HD11 ILE A 22 -1.716 0.079 1.470 1.00 0.99 H new ATOM 0 HD12 ILE A 22 -3.359 0.685 1.785 1.00 0.99 H new ATOM 0 HD13 ILE A 22 -1.947 1.612 2.344 1.00 0.99 H new ATOM 383 N LEU A 23 -4.967 -0.073 6.856 1.00 0.30 N ATOM 384 CA LEU A 23 -6.130 0.349 7.615 1.00 0.35 C ATOM 385 C LEU A 23 -6.256 -0.497 8.856 1.00 0.37 C ATOM 386 O LEU A 23 -6.794 -0.049 9.871 1.00 0.47 O ATOM 387 CB LEU A 23 -7.409 0.166 6.787 1.00 0.59 C ATOM 388 CG LEU A 23 -7.651 1.145 5.633 1.00 0.68 C ATOM 389 CD1 LEU A 23 -6.392 1.387 4.830 1.00 1.69 C ATOM 390 CD2 LEU A 23 -8.725 0.584 4.727 1.00 1.15 C ATOM 0 H LEU A 23 -5.143 -0.875 6.251 1.00 0.30 H new ATOM 0 HA LEU A 23 -6.005 1.400 7.874 1.00 0.35 H new ATOM 0 HB2 LEU A 23 -7.402 -0.843 6.376 1.00 0.59 H new ATOM 0 HB3 LEU A 23 -8.260 0.228 7.465 1.00 0.59 H new ATOM 0 HG LEU A 23 -7.966 2.099 6.056 1.00 0.68 H new ATOM 0 HD11 LEU A 23 -6.605 2.086 4.021 1.00 1.69 H new ATOM 0 HD12 LEU A 23 -5.622 1.805 5.478 1.00 1.69 H new ATOM 0 HD13 LEU A 23 -6.041 0.444 4.411 1.00 1.69 H new ATOM 0 HD21 LEU A 23 -8.903 1.275 3.903 1.00 1.15 H new ATOM 0 HD22 LEU A 23 -8.400 -0.378 4.330 1.00 1.15 H new ATOM 0 HD23 LEU A 23 -9.646 0.450 5.294 1.00 1.15 H new ATOM 402 N GLY A 24 -5.744 -1.722 8.739 1.00 0.35 N ATOM 403 CA GLY A 24 -5.907 -2.733 9.764 1.00 0.45 C ATOM 404 C GLY A 24 -5.729 -2.196 11.173 1.00 0.56 C ATOM 405 O GLY A 24 -6.712 -1.975 11.881 1.00 0.70 O ATOM 0 H GLY A 24 -5.207 -2.034 7.930 1.00 0.35 H new ATOM 0 HA2 GLY A 24 -6.899 -3.175 9.674 1.00 0.45 H new ATOM 0 HA3 GLY A 24 -5.186 -3.532 9.594 1.00 0.45 H new ATOM 409 N PRO A 25 -4.480 -1.996 11.618 1.00 0.59 N ATOM 410 CA PRO A 25 -4.195 -1.373 12.900 1.00 0.74 C ATOM 411 C PRO A 25 -3.949 0.138 12.797 1.00 0.75 C ATOM 412 O PRO A 25 -4.172 0.880 13.754 1.00 0.90 O ATOM 413 CB PRO A 25 -2.918 -2.096 13.327 1.00 0.85 C ATOM 414 CG PRO A 25 -2.211 -2.442 12.050 1.00 0.77 C ATOM 415 CD PRO A 25 -3.242 -2.423 10.941 1.00 0.57 C ATOM 0 HA PRO A 25 -5.028 -1.460 13.598 1.00 0.74 H new ATOM 0 HB2 PRO A 25 -2.299 -1.460 13.959 1.00 0.85 H new ATOM 0 HB3 PRO A 25 -3.148 -2.992 13.904 1.00 0.85 H new ATOM 0 HG2 PRO A 25 -1.415 -1.726 11.846 1.00 0.77 H new ATOM 0 HG3 PRO A 25 -1.745 -3.425 12.124 1.00 0.77 H new ATOM 0 HD2 PRO A 25 -2.962 -1.731 10.146 1.00 0.57 H new ATOM 0 HD3 PRO A 25 -3.355 -3.406 10.483 1.00 0.57 H new ATOM 423 N ARG A 26 -3.509 0.591 11.625 1.00 0.64 N ATOM 424 CA ARG A 26 -3.035 1.962 11.459 1.00 0.71 C ATOM 425 C ARG A 26 -3.862 2.745 10.439 1.00 0.59 C ATOM 426 O ARG A 26 -3.355 3.681 9.822 1.00 0.63 O ATOM 427 CB ARG A 26 -1.567 1.937 11.024 1.00 0.88 C ATOM 428 CG ARG A 26 -0.624 1.396 12.089 1.00 1.34 C ATOM 429 CD ARG A 26 0.780 1.184 11.542 1.00 1.33 C ATOM 430 NE ARG A 26 1.740 0.888 12.606 1.00 1.92 N ATOM 431 CZ ARG A 26 2.740 0.010 12.499 1.00 2.49 C ATOM 432 NH1 ARG A 26 2.888 -0.717 11.396 1.00 2.67 N ATOM 433 NH2 ARG A 26 3.585 -0.161 13.508 1.00 3.43 N ATOM 0 H ARG A 26 -3.471 0.027 10.776 1.00 0.64 H new ATOM 0 HA ARG A 26 -3.142 2.469 12.418 1.00 0.71 H new ATOM 0 HB2 ARG A 26 -1.474 1.328 10.125 1.00 0.88 H new ATOM 0 HB3 ARG A 26 -1.259 2.948 10.757 1.00 0.88 H new ATOM 0 HG2 ARG A 26 -0.587 2.090 12.929 1.00 1.34 H new ATOM 0 HG3 ARG A 26 -1.011 0.452 12.473 1.00 1.34 H new ATOM 0 HD2 ARG A 26 0.770 0.364 10.823 1.00 1.33 H new ATOM 0 HD3 ARG A 26 1.099 2.076 11.003 1.00 1.33 H new ATOM 0 HE ARG A 26 1.638 1.387 13.490 1.00 1.92 H new ATOM 0 HH11 ARG A 26 2.234 -0.607 10.621 1.00 2.67 H new ATOM 0 HH12 ARG A 26 3.656 -1.385 11.325 1.00 2.67 H new ATOM 0 HH21 ARG A 26 3.471 0.379 14.366 1.00 3.43 H new ATOM 0 HH22 ARG A 26 4.349 -0.832 13.425 1.00 3.43 H new ATOM 447 N GLY A 27 -5.141 2.389 10.294 1.00 0.54 N ATOM 448 CA GLY A 27 -6.006 3.032 9.303 1.00 0.56 C ATOM 449 C GLY A 27 -6.059 4.546 9.416 1.00 0.58 C ATOM 450 O GLY A 27 -6.379 5.240 8.443 1.00 0.56 O ATOM 0 H GLY A 27 -5.598 1.664 10.847 1.00 0.54 H new ATOM 0 HA2 GLY A 27 -5.658 2.765 8.305 1.00 0.56 H new ATOM 0 HA3 GLY A 27 -7.016 2.635 9.406 1.00 0.56 H new ATOM 454 N LEU A 28 -5.731 5.055 10.597 1.00 0.64 N ATOM 455 CA LEU A 28 -5.719 6.489 10.841 1.00 0.68 C ATOM 456 C LEU A 28 -4.807 7.211 9.852 1.00 0.58 C ATOM 457 O LEU A 28 -5.034 8.374 9.534 1.00 0.55 O ATOM 458 CB LEU A 28 -5.293 6.777 12.289 1.00 0.82 C ATOM 459 CG LEU A 28 -3.974 6.138 12.747 1.00 1.46 C ATOM 460 CD1 LEU A 28 -2.777 6.994 12.358 1.00 1.96 C ATOM 461 CD2 LEU A 28 -3.994 5.907 14.249 1.00 2.25 C ATOM 0 H LEU A 28 -5.468 4.490 11.405 1.00 0.64 H new ATOM 0 HA LEU A 28 -6.730 6.869 10.693 1.00 0.68 H new ATOM 0 HB2 LEU A 28 -5.212 7.857 12.414 1.00 0.82 H new ATOM 0 HB3 LEU A 28 -6.087 6.438 12.954 1.00 0.82 H new ATOM 0 HG LEU A 28 -3.874 5.177 12.242 1.00 1.46 H new ATOM 0 HD11 LEU A 28 -1.860 6.513 12.697 1.00 1.96 H new ATOM 0 HD12 LEU A 28 -2.748 7.108 11.274 1.00 1.96 H new ATOM 0 HD13 LEU A 28 -2.865 7.976 12.823 1.00 1.96 H new ATOM 0 HD21 LEU A 28 -3.053 5.454 14.560 1.00 2.25 H new ATOM 0 HD22 LEU A 28 -4.125 6.860 14.762 1.00 2.25 H new ATOM 0 HD23 LEU A 28 -4.819 5.242 14.504 1.00 2.25 H new ATOM 473 N THR A 29 -3.793 6.505 9.352 1.00 0.56 N ATOM 474 CA THR A 29 -2.845 7.096 8.417 1.00 0.52 C ATOM 475 C THR A 29 -3.554 7.520 7.133 1.00 0.42 C ATOM 476 O THR A 29 -3.367 8.637 6.668 1.00 0.41 O ATOM 477 CB THR A 29 -1.656 6.134 8.117 1.00 0.58 C ATOM 478 OG1 THR A 29 -0.573 6.852 7.511 1.00 0.92 O ATOM 479 CG2 THR A 29 -2.062 4.982 7.204 1.00 0.48 C ATOM 0 H THR A 29 -3.610 5.528 9.579 1.00 0.56 H new ATOM 0 HA THR A 29 -2.424 7.986 8.885 1.00 0.52 H new ATOM 0 HB THR A 29 -1.340 5.716 9.073 1.00 0.58 H new ATOM 0 HG1 THR A 29 0.167 6.236 7.330 1.00 0.92 H new ATOM 0 HG21 THR A 29 -1.200 4.339 7.024 1.00 0.48 H new ATOM 0 HG22 THR A 29 -2.854 4.403 7.679 1.00 0.48 H new ATOM 0 HG23 THR A 29 -2.423 5.379 6.255 1.00 0.48 H new ATOM 487 N ALA A 30 -4.439 6.671 6.623 1.00 0.39 N ATOM 488 CA ALA A 30 -5.177 6.986 5.410 1.00 0.34 C ATOM 489 C ALA A 30 -6.123 8.145 5.670 1.00 0.32 C ATOM 490 O ALA A 30 -6.303 9.026 4.829 1.00 0.28 O ATOM 491 CB ALA A 30 -5.940 5.761 4.921 1.00 0.38 C ATOM 0 H ALA A 30 -4.661 5.763 7.031 1.00 0.39 H new ATOM 0 HA ALA A 30 -4.474 7.279 4.630 1.00 0.34 H new ATOM 0 HB1 ALA A 30 -6.488 6.012 4.013 1.00 0.38 H new ATOM 0 HB2 ALA A 30 -5.237 4.955 4.710 1.00 0.38 H new ATOM 0 HB3 ALA A 30 -6.642 5.439 5.690 1.00 0.38 H new ATOM 497 N LYS A 31 -6.688 8.152 6.866 1.00 0.38 N ATOM 498 CA LYS A 31 -7.637 9.178 7.262 1.00 0.41 C ATOM 499 C LYS A 31 -6.972 10.547 7.346 1.00 0.38 C ATOM 500 O LYS A 31 -7.573 11.562 6.992 1.00 0.39 O ATOM 501 CB LYS A 31 -8.245 8.827 8.612 1.00 0.49 C ATOM 502 CG LYS A 31 -9.374 9.757 9.022 1.00 1.16 C ATOM 503 CD LYS A 31 -10.057 9.296 10.296 1.00 1.63 C ATOM 504 CE LYS A 31 -11.218 10.209 10.654 1.00 2.36 C ATOM 505 NZ LYS A 31 -11.950 9.740 11.857 1.00 3.09 N ATOM 0 H LYS A 31 -6.503 7.452 7.585 1.00 0.38 H new ATOM 0 HA LYS A 31 -8.419 9.222 6.503 1.00 0.41 H new ATOM 0 HB2 LYS A 31 -8.620 7.804 8.579 1.00 0.49 H new ATOM 0 HB3 LYS A 31 -7.465 8.856 9.373 1.00 0.49 H new ATOM 0 HG2 LYS A 31 -8.981 10.763 9.166 1.00 1.16 H new ATOM 0 HG3 LYS A 31 -10.107 9.813 8.218 1.00 1.16 H new ATOM 0 HD2 LYS A 31 -10.418 8.275 10.170 1.00 1.63 H new ATOM 0 HD3 LYS A 31 -9.337 9.281 11.114 1.00 1.63 H new ATOM 0 HE2 LYS A 31 -10.844 11.218 10.829 1.00 2.36 H new ATOM 0 HE3 LYS A 31 -11.907 10.266 9.811 1.00 2.36 H new ATOM 0 HZ1 LYS A 31 -12.733 10.393 12.064 1.00 3.09 H new ATOM 0 HZ2 LYS A 31 -12.330 8.788 11.683 1.00 3.09 H new ATOM 0 HZ3 LYS A 31 -11.301 9.710 12.669 1.00 3.09 H new ATOM 519 N GLN A 32 -5.732 10.578 7.820 1.00 0.38 N ATOM 520 CA GLN A 32 -5.022 11.844 7.969 1.00 0.40 C ATOM 521 C GLN A 32 -4.671 12.409 6.604 1.00 0.32 C ATOM 522 O GLN A 32 -4.717 13.620 6.390 1.00 0.33 O ATOM 523 CB GLN A 32 -3.745 11.692 8.805 1.00 0.47 C ATOM 524 CG GLN A 32 -3.959 11.103 10.192 1.00 0.55 C ATOM 525 CD GLN A 32 -5.164 11.675 10.912 1.00 0.63 C ATOM 526 OE1 GLN A 32 -6.301 11.016 10.757 1.00 0.72 O flip ATOM 527 NE2 GLN A 32 -5.076 12.690 11.602 1.00 0.64 N flip ATOM 0 H GLN A 32 -5.203 9.754 8.104 1.00 0.38 H new ATOM 0 HA GLN A 32 -5.687 12.529 8.495 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -3.044 11.059 8.261 1.00 0.47 H new ATOM 0 HB3 GLN A 32 -3.277 12.671 8.909 1.00 0.47 H new ATOM 0 HG2 GLN A 32 -4.076 10.023 10.105 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -3.068 11.279 10.795 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -4.179 13.168 11.695 1.00 0.64 H new ATOM 0 HE22 GLN A 32 -5.900 13.054 12.081 1.00 0.64 H new ATOM 536 N LEU A 33 -4.348 11.524 5.671 1.00 0.28 N ATOM 537 CA LEU A 33 -3.929 11.956 4.348 1.00 0.25 C ATOM 538 C LEU A 33 -5.072 12.651 3.641 1.00 0.21 C ATOM 539 O LEU A 33 -4.898 13.730 3.100 1.00 0.22 O ATOM 540 CB LEU A 33 -3.436 10.772 3.505 1.00 0.28 C ATOM 541 CG LEU A 33 -2.540 9.766 4.229 1.00 0.72 C ATOM 542 CD1 LEU A 33 -1.874 8.825 3.236 1.00 1.20 C ATOM 543 CD2 LEU A 33 -1.507 10.470 5.099 1.00 1.61 C ATOM 0 H LEU A 33 -4.368 10.513 5.805 1.00 0.28 H new ATOM 0 HA LEU A 33 -3.101 12.654 4.470 1.00 0.25 H new ATOM 0 HB2 LEU A 33 -4.305 10.241 3.115 1.00 0.28 H new ATOM 0 HB3 LEU A 33 -2.890 11.164 2.647 1.00 0.28 H new ATOM 0 HG LEU A 33 -3.170 9.170 4.889 1.00 0.72 H new ATOM 0 HD11 LEU A 33 -1.241 8.118 3.773 1.00 1.20 H new ATOM 0 HD12 LEU A 33 -2.638 8.280 2.682 1.00 1.20 H new ATOM 0 HD13 LEU A 33 -1.264 9.402 2.541 1.00 1.20 H new ATOM 0 HD21 LEU A 33 -0.886 9.727 5.600 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -0.879 11.107 4.475 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -2.015 11.081 5.845 1.00 1.61 H new ATOM 555 N GLU A 34 -6.259 12.081 3.702 1.00 0.21 N ATOM 556 CA GLU A 34 -7.388 12.680 3.014 1.00 0.25 C ATOM 557 C GLU A 34 -7.808 13.970 3.695 1.00 0.29 C ATOM 558 O GLU A 34 -8.167 14.946 3.037 1.00 0.33 O ATOM 559 CB GLU A 34 -8.563 11.711 2.920 1.00 0.31 C ATOM 560 CG GLU A 34 -8.845 10.948 4.201 1.00 0.38 C ATOM 561 CD GLU A 34 -10.005 9.985 4.069 1.00 0.54 C ATOM 562 OE1 GLU A 34 -11.159 10.405 4.281 1.00 0.87 O ATOM 563 OE2 GLU A 34 -9.768 8.801 3.746 1.00 0.63 O ATOM 0 H GLU A 34 -6.466 11.221 4.210 1.00 0.21 H new ATOM 0 HA GLU A 34 -7.071 12.914 1.998 1.00 0.25 H new ATOM 0 HB2 GLU A 34 -9.457 12.268 2.638 1.00 0.31 H new ATOM 0 HB3 GLU A 34 -8.367 10.996 2.121 1.00 0.31 H new ATOM 0 HG2 GLU A 34 -7.952 10.395 4.493 1.00 0.38 H new ATOM 0 HG3 GLU A 34 -9.057 11.657 5.001 1.00 0.38 H new ATOM 570 N ALA A 35 -7.727 13.976 5.014 1.00 0.30 N ATOM 571 CA ALA A 35 -8.103 15.142 5.795 1.00 0.36 C ATOM 572 C ALA A 35 -7.193 16.333 5.499 1.00 0.35 C ATOM 573 O ALA A 35 -7.664 17.463 5.361 1.00 0.42 O ATOM 574 CB ALA A 35 -8.074 14.816 7.279 1.00 0.40 C ATOM 0 H ALA A 35 -7.403 13.184 5.569 1.00 0.30 H new ATOM 0 HA ALA A 35 -9.118 15.418 5.510 1.00 0.36 H new ATOM 0 HB1 ALA A 35 -8.358 15.699 7.851 1.00 0.40 H new ATOM 0 HB2 ALA A 35 -8.775 14.008 7.488 1.00 0.40 H new ATOM 0 HB3 ALA A 35 -7.068 14.507 7.564 1.00 0.40 H new ATOM 580 N GLU A 36 -5.892 16.076 5.392 1.00 0.30 N ATOM 581 CA GLU A 36 -4.922 17.150 5.205 1.00 0.34 C ATOM 582 C GLU A 36 -4.606 17.409 3.735 1.00 0.31 C ATOM 583 O GLU A 36 -4.667 18.550 3.279 1.00 0.41 O ATOM 584 CB GLU A 36 -3.623 16.838 5.943 1.00 0.38 C ATOM 585 CG GLU A 36 -3.807 16.571 7.424 1.00 0.74 C ATOM 586 CD GLU A 36 -2.494 16.582 8.174 1.00 1.25 C ATOM 587 OE1 GLU A 36 -1.454 16.233 7.574 1.00 1.69 O ATOM 588 OE2 GLU A 36 -2.491 16.973 9.356 1.00 1.73 O ATOM 0 H GLU A 36 -5.488 15.140 5.431 1.00 0.30 H new ATOM 0 HA GLU A 36 -5.381 18.049 5.615 1.00 0.34 H new ATOM 0 HB2 GLU A 36 -3.155 15.968 5.482 1.00 0.38 H new ATOM 0 HB3 GLU A 36 -2.935 17.674 5.817 1.00 0.38 H new ATOM 0 HG2 GLU A 36 -4.472 17.324 7.847 1.00 0.74 H new ATOM 0 HG3 GLU A 36 -4.293 15.605 7.560 1.00 0.74 H new ATOM 595 N THR A 37 -4.258 16.361 2.994 1.00 0.24 N ATOM 596 CA THR A 37 -3.730 16.538 1.643 1.00 0.26 C ATOM 597 C THR A 37 -4.802 17.014 0.665 1.00 0.28 C ATOM 598 O THR A 37 -4.500 17.680 -0.327 1.00 0.35 O ATOM 599 CB THR A 37 -3.104 15.245 1.086 1.00 0.28 C ATOM 600 OG1 THR A 37 -4.124 14.292 0.790 1.00 0.25 O ATOM 601 CG2 THR A 37 -2.122 14.642 2.077 1.00 0.29 C ATOM 0 H THR A 37 -4.330 15.391 3.300 1.00 0.24 H new ATOM 0 HA THR A 37 -2.957 17.301 1.734 1.00 0.26 H new ATOM 0 HB THR A 37 -2.566 15.500 0.173 1.00 0.28 H new ATOM 0 HG1 THR A 37 -4.775 14.271 1.522 1.00 0.25 H new ATOM 0 HG21 THR A 37 -1.695 13.731 1.658 1.00 0.29 H new ATOM 0 HG22 THR A 37 -1.324 15.357 2.279 1.00 0.29 H new ATOM 0 HG23 THR A 37 -2.641 14.406 3.006 1.00 0.29 H new ATOM 609 N GLY A 38 -6.051 16.679 0.958 1.00 0.28 N ATOM 610 CA GLY A 38 -7.134 16.979 0.043 1.00 0.35 C ATOM 611 C GLY A 38 -7.390 15.850 -0.923 1.00 0.35 C ATOM 612 O GLY A 38 -8.237 15.958 -1.812 1.00 0.44 O ATOM 0 H GLY A 38 -6.334 16.204 1.815 1.00 0.28 H new ATOM 0 HA2 GLY A 38 -8.042 17.182 0.611 1.00 0.35 H new ATOM 0 HA3 GLY A 38 -6.897 17.885 -0.514 1.00 0.35 H new ATOM 616 N CYS A 39 -6.662 14.755 -0.752 1.00 0.29 N ATOM 617 CA CYS A 39 -7.006 13.523 -1.431 1.00 0.26 C ATOM 618 C CYS A 39 -8.031 12.813 -0.593 1.00 0.35 C ATOM 619 O CYS A 39 -8.404 13.295 0.468 1.00 0.73 O ATOM 620 CB CYS A 39 -5.793 12.595 -1.626 1.00 0.37 C ATOM 621 SG CYS A 39 -5.203 11.812 -0.108 1.00 1.29 S ATOM 0 H CYS A 39 -5.838 14.699 -0.154 1.00 0.29 H new ATOM 0 HA CYS A 39 -7.384 13.771 -2.423 1.00 0.26 H new ATOM 0 HB2 CYS A 39 -6.057 11.818 -2.343 1.00 0.37 H new ATOM 0 HB3 CYS A 39 -4.978 13.170 -2.065 1.00 0.37 H new ATOM 0 HG CYS A 39 -4.492 12.662 0.571 1.00 1.29 H new ATOM 627 N LYS A 40 -8.543 11.727 -1.095 1.00 0.28 N ATOM 628 CA LYS A 40 -9.139 10.752 -0.255 1.00 0.27 C ATOM 629 C LYS A 40 -8.546 9.431 -0.671 1.00 0.24 C ATOM 630 O LYS A 40 -8.973 8.817 -1.645 1.00 0.26 O ATOM 631 CB LYS A 40 -10.671 10.789 -0.341 1.00 0.35 C ATOM 632 CG LYS A 40 -11.258 10.525 -1.721 1.00 1.07 C ATOM 633 CD LYS A 40 -12.762 10.281 -1.655 1.00 1.36 C ATOM 634 CE LYS A 40 -13.109 9.070 -0.794 1.00 1.62 C ATOM 635 NZ LYS A 40 -13.849 9.457 0.439 1.00 2.51 N ATOM 0 H LYS A 40 -8.555 11.501 -2.090 1.00 0.28 H new ATOM 0 HA LYS A 40 -8.929 10.940 0.798 1.00 0.27 H new ATOM 0 HB2 LYS A 40 -11.074 10.051 0.353 1.00 0.35 H new ATOM 0 HB3 LYS A 40 -11.013 11.767 -0.001 1.00 0.35 H new ATOM 0 HG2 LYS A 40 -11.055 11.375 -2.372 1.00 1.07 H new ATOM 0 HG3 LYS A 40 -10.768 9.659 -2.166 1.00 1.07 H new ATOM 0 HD2 LYS A 40 -13.255 11.165 -1.252 1.00 1.36 H new ATOM 0 HD3 LYS A 40 -13.149 10.132 -2.663 1.00 1.36 H new ATOM 0 HE2 LYS A 40 -13.712 8.373 -1.375 1.00 1.62 H new ATOM 0 HE3 LYS A 40 -12.193 8.547 -0.518 1.00 1.62 H new ATOM 0 HZ1 LYS A 40 -14.065 8.606 0.996 1.00 2.51 H new ATOM 0 HZ2 LYS A 40 -13.264 10.102 1.007 1.00 2.51 H new ATOM 0 HZ3 LYS A 40 -14.735 9.934 0.177 1.00 2.51 H new ATOM 649 N ILE A 41 -7.511 9.018 0.028 1.00 0.22 N ATOM 650 CA ILE A 41 -6.779 7.857 -0.401 1.00 0.21 C ATOM 651 C ILE A 41 -7.560 6.611 -0.030 1.00 0.23 C ATOM 652 O ILE A 41 -7.673 6.230 1.135 1.00 0.29 O ATOM 653 CB ILE A 41 -5.343 7.831 0.187 1.00 0.21 C ATOM 654 CG1 ILE A 41 -4.629 6.522 -0.162 1.00 0.23 C ATOM 655 CG2 ILE A 41 -5.351 8.047 1.700 1.00 0.25 C ATOM 656 CD1 ILE A 41 -3.228 6.437 0.403 1.00 0.25 C ATOM 0 H ILE A 41 -7.166 9.462 0.879 1.00 0.22 H new ATOM 0 HA ILE A 41 -6.663 7.893 -1.484 1.00 0.21 H new ATOM 0 HB ILE A 41 -4.793 8.656 -0.267 1.00 0.21 H new ATOM 0 HG12 ILE A 41 -5.216 5.684 0.214 1.00 0.23 H new ATOM 0 HG13 ILE A 41 -4.583 6.419 -1.246 1.00 0.23 H new ATOM 0 HG21 ILE A 41 -4.328 8.022 2.076 1.00 0.25 H new ATOM 0 HG22 ILE A 41 -5.798 9.015 1.927 1.00 0.25 H new ATOM 0 HG23 ILE A 41 -5.932 7.258 2.177 1.00 0.25 H new ATOM 0 HD11 ILE A 41 -2.778 5.485 0.119 1.00 0.25 H new ATOM 0 HD12 ILE A 41 -2.626 7.255 0.008 1.00 0.25 H new ATOM 0 HD13 ILE A 41 -3.269 6.509 1.490 1.00 0.25 H new ATOM 668 N MET A 42 -8.140 6.009 -1.053 1.00 0.20 N ATOM 669 CA MET A 42 -9.015 4.890 -0.876 1.00 0.21 C ATOM 670 C MET A 42 -8.310 3.644 -1.346 1.00 0.20 C ATOM 671 O MET A 42 -7.685 3.631 -2.409 1.00 0.21 O ATOM 672 CB MET A 42 -10.324 5.085 -1.657 1.00 0.26 C ATOM 673 CG MET A 42 -10.125 5.238 -3.161 1.00 0.29 C ATOM 674 SD MET A 42 -11.671 5.175 -4.091 1.00 0.45 S ATOM 675 CE MET A 42 -12.478 6.664 -3.512 1.00 1.43 C ATOM 0 H MET A 42 -8.011 6.290 -2.025 1.00 0.20 H new ATOM 0 HA MET A 42 -9.269 4.799 0.180 1.00 0.21 H new ATOM 0 HB2 MET A 42 -10.978 4.233 -1.471 1.00 0.26 H new ATOM 0 HB3 MET A 42 -10.836 5.969 -1.276 1.00 0.26 H new ATOM 0 HG2 MET A 42 -9.626 6.187 -3.361 1.00 0.29 H new ATOM 0 HG3 MET A 42 -9.462 4.449 -3.516 1.00 0.29 H new ATOM 0 HE1 MET A 42 -13.370 6.850 -4.110 1.00 1.43 H new ATOM 0 HE2 MET A 42 -12.761 6.542 -2.466 1.00 1.43 H new ATOM 0 HE3 MET A 42 -11.795 7.508 -3.607 1.00 1.43 H new ATOM 685 N VAL A 43 -8.385 2.603 -0.559 1.00 0.22 N ATOM 686 CA VAL A 43 -7.791 1.359 -0.956 1.00 0.25 C ATOM 687 C VAL A 43 -8.793 0.599 -1.800 1.00 0.27 C ATOM 688 O VAL A 43 -9.859 0.213 -1.326 1.00 0.41 O ATOM 689 CB VAL A 43 -7.357 0.508 0.246 1.00 0.32 C ATOM 690 CG1 VAL A 43 -6.205 -0.391 -0.150 1.00 0.51 C ATOM 691 CG2 VAL A 43 -6.965 1.379 1.429 1.00 0.79 C ATOM 0 H VAL A 43 -8.847 2.593 0.350 1.00 0.22 H new ATOM 0 HA VAL A 43 -6.888 1.574 -1.528 1.00 0.25 H new ATOM 0 HB VAL A 43 -8.204 -0.106 0.553 1.00 0.32 H new ATOM 0 HG11 VAL A 43 -5.901 -0.992 0.707 1.00 0.51 H new ATOM 0 HG12 VAL A 43 -6.518 -1.048 -0.961 1.00 0.51 H new ATOM 0 HG13 VAL A 43 -5.365 0.219 -0.481 1.00 0.51 H new ATOM 0 HG21 VAL A 43 -6.663 0.745 2.263 1.00 0.79 H new ATOM 0 HG22 VAL A 43 -6.135 2.026 1.145 1.00 0.79 H new ATOM 0 HG23 VAL A 43 -7.816 1.991 1.728 1.00 0.79 H new ATOM 701 N ARG A 44 -8.463 0.430 -3.059 1.00 0.29 N ATOM 702 CA ARG A 44 -9.353 -0.216 -3.996 1.00 0.31 C ATOM 703 C ARG A 44 -8.939 -1.657 -4.196 1.00 0.38 C ATOM 704 O ARG A 44 -7.895 -2.073 -3.715 1.00 0.71 O ATOM 705 CB ARG A 44 -9.370 0.524 -5.331 1.00 0.33 C ATOM 706 CG ARG A 44 -10.064 1.874 -5.277 1.00 0.37 C ATOM 707 CD ARG A 44 -10.422 2.354 -6.670 1.00 0.50 C ATOM 708 NE ARG A 44 -11.400 3.432 -6.662 1.00 0.56 N ATOM 709 CZ ARG A 44 -12.261 3.642 -7.655 1.00 0.72 C ATOM 710 NH1 ARG A 44 -12.306 2.797 -8.683 1.00 1.26 N ATOM 711 NH2 ARG A 44 -13.087 4.677 -7.612 1.00 1.10 N ATOM 0 H ARG A 44 -7.576 0.734 -3.461 1.00 0.29 H new ATOM 0 HA ARG A 44 -10.362 -0.192 -3.585 1.00 0.31 H new ATOM 0 HB2 ARG A 44 -8.344 0.667 -5.669 1.00 0.33 H new ATOM 0 HB3 ARG A 44 -9.866 -0.099 -6.075 1.00 0.33 H new ATOM 0 HG2 ARG A 44 -10.967 1.799 -4.670 1.00 0.37 H new ATOM 0 HG3 ARG A 44 -9.414 2.603 -4.793 1.00 0.37 H new ATOM 0 HD2 ARG A 44 -9.518 2.694 -7.176 1.00 0.50 H new ATOM 0 HD3 ARG A 44 -10.815 1.517 -7.248 1.00 0.50 H new ATOM 0 HE ARG A 44 -11.427 4.057 -5.856 1.00 0.56 H new ATOM 0 HH11 ARG A 44 -11.682 1.991 -8.708 1.00 1.26 H new ATOM 0 HH12 ARG A 44 -12.965 2.956 -9.445 1.00 1.26 H new ATOM 0 HH21 ARG A 44 -13.064 5.315 -6.817 1.00 1.10 H new ATOM 0 HH22 ARG A 44 -13.746 4.836 -8.374 1.00 1.10 H new ATOM 725 N GLY A 45 -9.745 -2.412 -4.911 1.00 0.26 N ATOM 726 CA GLY A 45 -9.486 -3.822 -5.057 1.00 0.29 C ATOM 727 C GLY A 45 -10.341 -4.633 -4.115 1.00 0.29 C ATOM 728 O GLY A 45 -11.245 -4.096 -3.464 1.00 0.33 O ATOM 0 H GLY A 45 -10.577 -2.074 -5.395 1.00 0.26 H new ATOM 0 HA2 GLY A 45 -9.683 -4.126 -6.085 1.00 0.29 H new ATOM 0 HA3 GLY A 45 -8.433 -4.023 -4.861 1.00 0.29 H new ATOM 732 N LYS A 46 -10.053 -5.914 -4.033 1.00 0.39 N ATOM 733 CA LYS A 46 -10.832 -6.817 -3.206 1.00 0.50 C ATOM 734 C LYS A 46 -10.448 -6.675 -1.735 1.00 0.50 C ATOM 735 O LYS A 46 -9.337 -7.020 -1.329 1.00 0.62 O ATOM 736 CB LYS A 46 -10.647 -8.260 -3.701 1.00 0.74 C ATOM 737 CG LYS A 46 -9.214 -8.770 -3.626 1.00 0.90 C ATOM 738 CD LYS A 46 -8.947 -9.850 -4.657 1.00 0.94 C ATOM 739 CE LYS A 46 -8.913 -9.267 -6.061 1.00 0.72 C ATOM 740 NZ LYS A 46 -8.723 -10.313 -7.099 1.00 1.45 N ATOM 0 H LYS A 46 -9.281 -6.358 -4.531 1.00 0.39 H new ATOM 0 HA LYS A 46 -11.887 -6.557 -3.289 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -11.286 -8.918 -3.112 1.00 0.74 H new ATOM 0 HB3 LYS A 46 -10.989 -8.324 -4.734 1.00 0.74 H new ATOM 0 HG2 LYS A 46 -8.524 -7.940 -3.781 1.00 0.90 H new ATOM 0 HG3 LYS A 46 -9.020 -9.164 -2.628 1.00 0.90 H new ATOM 0 HD2 LYS A 46 -7.997 -10.339 -4.439 1.00 0.94 H new ATOM 0 HD3 LYS A 46 -9.721 -10.615 -4.596 1.00 0.94 H new ATOM 0 HE2 LYS A 46 -9.843 -8.732 -6.253 1.00 0.72 H new ATOM 0 HE3 LYS A 46 -8.106 -8.538 -6.130 1.00 0.72 H new ATOM 0 HZ1 LYS A 46 -8.706 -9.870 -8.040 1.00 1.45 H new ATOM 0 HZ2 LYS A 46 -7.823 -10.807 -6.933 1.00 1.45 H new ATOM 0 HZ3 LYS A 46 -9.507 -10.995 -7.052 1.00 1.45 H new ATOM 754 N GLY A 47 -11.359 -6.125 -0.940 1.00 0.57 N ATOM 755 CA GLY A 47 -11.127 -6.069 0.488 1.00 0.68 C ATOM 756 C GLY A 47 -11.076 -4.659 1.022 1.00 0.51 C ATOM 757 O GLY A 47 -10.466 -4.403 2.055 1.00 0.60 O ATOM 0 H GLY A 47 -12.242 -5.722 -1.254 1.00 0.57 H new ATOM 0 HA2 GLY A 47 -11.917 -6.617 1.001 1.00 0.68 H new ATOM 0 HA3 GLY A 47 -10.188 -6.573 0.718 1.00 0.68 H new ATOM 761 N SER A 48 -11.721 -3.749 0.317 1.00 0.54 N ATOM 762 CA SER A 48 -11.779 -2.359 0.733 1.00 0.72 C ATOM 763 C SER A 48 -12.698 -2.194 1.950 1.00 1.02 C ATOM 764 O SER A 48 -12.265 -1.770 3.019 1.00 1.43 O ATOM 765 CB SER A 48 -12.294 -1.524 -0.443 1.00 0.82 C ATOM 766 OG SER A 48 -12.346 -0.143 -0.138 1.00 1.31 O ATOM 0 H SER A 48 -12.216 -3.949 -0.552 1.00 0.54 H new ATOM 0 HA SER A 48 -10.784 -2.021 1.023 1.00 0.72 H new ATOM 0 HB2 SER A 48 -11.647 -1.679 -1.307 1.00 0.82 H new ATOM 0 HB3 SER A 48 -13.289 -1.870 -0.723 1.00 0.82 H new ATOM 0 HG SER A 48 -12.596 0.360 -0.941 1.00 1.31 H new ATOM 772 N MET A 49 -13.967 -2.545 1.769 1.00 1.18 N ATOM 773 CA MET A 49 -14.975 -2.451 2.814 1.00 1.58 C ATOM 774 C MET A 49 -15.661 -3.794 2.999 1.00 1.30 C ATOM 775 O MET A 49 -16.872 -3.844 3.189 1.00 1.70 O ATOM 776 CB MET A 49 -15.994 -1.356 2.505 1.00 2.49 C ATOM 777 CG MET A 49 -15.417 0.050 2.565 1.00 3.25 C ATOM 778 SD MET A 49 -14.915 0.519 4.230 1.00 4.35 S ATOM 779 CE MET A 49 -14.258 2.162 3.937 1.00 5.15 C ATOM 0 H MET A 49 -14.326 -2.905 0.885 1.00 1.18 H new ATOM 0 HA MET A 49 -14.478 -2.181 3.746 1.00 1.58 H new ATOM 0 HB2 MET A 49 -16.408 -1.527 1.511 1.00 2.49 H new ATOM 0 HB3 MET A 49 -16.820 -1.431 3.212 1.00 2.49 H new ATOM 0 HG2 MET A 49 -14.557 0.115 1.898 1.00 3.25 H new ATOM 0 HG3 MET A 49 -16.159 0.760 2.199 1.00 3.25 H new ATOM 0 HE1 MET A 49 -13.906 2.586 4.877 1.00 5.15 H new ATOM 0 HE2 MET A 49 -13.428 2.102 3.233 1.00 5.15 H new ATOM 0 HE3 MET A 49 -15.040 2.798 3.523 1.00 5.15 H new ATOM 789 N ARG A 50 -14.879 -4.868 2.866 1.00 0.89 N ATOM 790 CA ARG A 50 -15.355 -6.268 2.915 1.00 1.28 C ATOM 791 C ARG A 50 -16.079 -6.639 4.219 1.00 1.22 C ATOM 792 O ARG A 50 -16.123 -7.808 4.594 1.00 1.55 O ATOM 793 CB ARG A 50 -14.166 -7.215 2.730 1.00 1.65 C ATOM 794 CG ARG A 50 -13.971 -7.706 1.308 1.00 2.14 C ATOM 795 CD ARG A 50 -15.111 -8.610 0.879 1.00 2.26 C ATOM 796 NE ARG A 50 -15.316 -9.711 1.820 1.00 3.05 N ATOM 797 CZ ARG A 50 -16.512 -10.097 2.265 1.00 3.84 C ATOM 798 NH1 ARG A 50 -17.614 -9.500 1.827 1.00 4.04 N ATOM 799 NH2 ARG A 50 -16.599 -11.080 3.152 1.00 4.74 N ATOM 0 H ARG A 50 -13.872 -4.795 2.717 1.00 0.89 H new ATOM 0 HA ARG A 50 -16.082 -6.368 2.109 1.00 1.28 H new ATOM 0 HB2 ARG A 50 -13.258 -6.706 3.053 1.00 1.65 H new ATOM 0 HB3 ARG A 50 -14.298 -8.077 3.384 1.00 1.65 H new ATOM 0 HG2 ARG A 50 -13.905 -6.854 0.632 1.00 2.14 H new ATOM 0 HG3 ARG A 50 -13.027 -8.246 1.233 1.00 2.14 H new ATOM 0 HD2 ARG A 50 -16.028 -8.026 0.798 1.00 2.26 H new ATOM 0 HD3 ARG A 50 -14.902 -9.013 -0.112 1.00 2.26 H new ATOM 0 HE ARG A 50 -14.494 -10.214 2.156 1.00 3.05 H new ATOM 0 HH11 ARG A 50 -17.548 -8.743 1.147 1.00 4.04 H new ATOM 0 HH12 ARG A 50 -18.527 -9.799 2.170 1.00 4.04 H new ATOM 0 HH21 ARG A 50 -15.753 -11.537 3.491 1.00 4.74 H new ATOM 0 HH22 ARG A 50 -17.512 -11.378 3.495 1.00 4.74 H new ATOM 813 N ASP A 51 -16.644 -5.658 4.891 1.00 0.99 N ATOM 814 CA ASP A 51 -17.409 -5.878 6.099 1.00 1.15 C ATOM 815 C ASP A 51 -18.739 -6.532 5.762 1.00 1.27 C ATOM 816 O ASP A 51 -19.357 -6.203 4.747 1.00 1.24 O ATOM 817 CB ASP A 51 -17.670 -4.544 6.795 1.00 1.25 C ATOM 818 CG ASP A 51 -16.460 -3.982 7.509 1.00 1.85 C ATOM 819 OD1 ASP A 51 -15.872 -4.712 8.337 1.00 1.97 O ATOM 820 OD2 ASP A 51 -16.070 -2.829 7.221 1.00 2.67 O ATOM 0 H ASP A 51 -16.585 -4.679 4.612 1.00 0.99 H new ATOM 0 HA ASP A 51 -16.840 -6.532 6.760 1.00 1.15 H new ATOM 0 HB2 ASP A 51 -18.013 -3.820 6.056 1.00 1.25 H new ATOM 0 HB3 ASP A 51 -18.478 -4.672 7.515 1.00 1.25 H new ATOM 825 N LYS A 52 -19.179 -7.439 6.623 1.00 1.46 N ATOM 826 CA LYS A 52 -20.463 -8.111 6.449 1.00 1.63 C ATOM 827 C LYS A 52 -21.588 -7.086 6.403 1.00 1.60 C ATOM 828 O LYS A 52 -22.528 -7.196 5.611 1.00 1.65 O ATOM 829 CB LYS A 52 -20.703 -9.097 7.593 1.00 1.89 C ATOM 830 CG LYS A 52 -19.645 -10.179 7.699 1.00 2.13 C ATOM 831 CD LYS A 52 -19.871 -11.041 8.927 1.00 2.73 C ATOM 832 CE LYS A 52 -18.789 -12.095 9.072 1.00 3.39 C ATOM 833 NZ LYS A 52 -18.950 -12.873 10.326 1.00 4.02 N ATOM 0 H LYS A 52 -18.664 -7.729 7.454 1.00 1.46 H new ATOM 0 HA LYS A 52 -20.445 -8.661 5.508 1.00 1.63 H new ATOM 0 HB2 LYS A 52 -20.742 -8.546 8.533 1.00 1.89 H new ATOM 0 HB3 LYS A 52 -21.677 -9.566 7.458 1.00 1.89 H new ATOM 0 HG2 LYS A 52 -19.665 -10.801 6.804 1.00 2.13 H new ATOM 0 HG3 LYS A 52 -18.656 -9.723 7.747 1.00 2.13 H new ATOM 0 HD2 LYS A 52 -19.889 -10.411 9.817 1.00 2.73 H new ATOM 0 HD3 LYS A 52 -20.845 -11.525 8.859 1.00 2.73 H new ATOM 0 HE2 LYS A 52 -18.821 -12.771 8.217 1.00 3.39 H new ATOM 0 HE3 LYS A 52 -17.810 -11.616 9.063 1.00 3.39 H new ATOM 0 HZ1 LYS A 52 -18.194 -13.584 10.393 1.00 4.02 H new ATOM 0 HZ2 LYS A 52 -18.895 -12.231 11.142 1.00 4.02 H new ATOM 0 HZ3 LYS A 52 -19.874 -13.350 10.323 1.00 4.02 H new ATOM 847 N LYS A 53 -21.469 -6.073 7.241 1.00 1.58 N ATOM 848 CA LYS A 53 -22.452 -5.012 7.287 1.00 1.61 C ATOM 849 C LYS A 53 -22.492 -4.260 5.956 1.00 1.43 C ATOM 850 O LYS A 53 -23.564 -3.932 5.450 1.00 1.45 O ATOM 851 CB LYS A 53 -22.154 -4.056 8.449 1.00 1.70 C ATOM 852 CG LYS A 53 -20.746 -3.476 8.430 1.00 1.61 C ATOM 853 CD LYS A 53 -20.432 -2.682 9.691 1.00 1.81 C ATOM 854 CE LYS A 53 -21.335 -1.468 9.841 1.00 2.29 C ATOM 855 NZ LYS A 53 -20.887 -0.582 10.948 1.00 2.51 N ATOM 0 H LYS A 53 -20.698 -5.964 7.900 1.00 1.58 H new ATOM 0 HA LYS A 53 -23.434 -5.454 7.455 1.00 1.61 H new ATOM 0 HB2 LYS A 53 -22.873 -3.237 8.426 1.00 1.70 H new ATOM 0 HB3 LYS A 53 -22.305 -4.586 9.389 1.00 1.70 H new ATOM 0 HG2 LYS A 53 -20.023 -4.285 8.323 1.00 1.61 H new ATOM 0 HG3 LYS A 53 -20.633 -2.830 7.559 1.00 1.61 H new ATOM 0 HD2 LYS A 53 -20.544 -3.327 10.563 1.00 1.81 H new ATOM 0 HD3 LYS A 53 -19.391 -2.359 9.666 1.00 1.81 H new ATOM 0 HE2 LYS A 53 -21.347 -0.906 8.907 1.00 2.29 H new ATOM 0 HE3 LYS A 53 -22.357 -1.796 10.029 1.00 2.29 H new ATOM 0 HZ1 LYS A 53 -21.527 0.235 11.020 1.00 2.51 H new ATOM 0 HZ2 LYS A 53 -20.900 -1.111 11.843 1.00 2.51 H new ATOM 0 HZ3 LYS A 53 -19.921 -0.249 10.757 1.00 2.51 H new ATOM 869 N LYS A 54 -21.328 -4.017 5.367 1.00 1.31 N ATOM 870 CA LYS A 54 -21.262 -3.252 4.130 1.00 1.17 C ATOM 871 C LYS A 54 -21.937 -3.992 2.986 1.00 1.19 C ATOM 872 O LYS A 54 -22.674 -3.400 2.218 1.00 1.21 O ATOM 873 CB LYS A 54 -19.820 -2.899 3.757 1.00 1.09 C ATOM 874 CG LYS A 54 -19.359 -1.567 4.326 1.00 1.22 C ATOM 875 CD LYS A 54 -19.088 -1.674 5.816 1.00 1.37 C ATOM 876 CE LYS A 54 -18.429 -0.426 6.387 1.00 1.53 C ATOM 877 NZ LYS A 54 -16.952 -0.438 6.206 1.00 2.16 N ATOM 0 H LYS A 54 -20.426 -4.335 5.722 1.00 1.31 H new ATOM 0 HA LYS A 54 -21.801 -2.321 4.304 1.00 1.17 H new ATOM 0 HB2 LYS A 54 -19.157 -3.687 4.113 1.00 1.09 H new ATOM 0 HB3 LYS A 54 -19.729 -2.873 2.671 1.00 1.09 H new ATOM 0 HG2 LYS A 54 -18.455 -1.241 3.811 1.00 1.22 H new ATOM 0 HG3 LYS A 54 -20.120 -0.808 4.145 1.00 1.22 H new ATOM 0 HD2 LYS A 54 -20.027 -1.855 6.339 1.00 1.37 H new ATOM 0 HD3 LYS A 54 -18.447 -2.536 6.003 1.00 1.37 H new ATOM 0 HE2 LYS A 54 -18.846 0.457 5.902 1.00 1.53 H new ATOM 0 HE3 LYS A 54 -18.663 -0.347 7.449 1.00 1.53 H new ATOM 0 HZ1 LYS A 54 -16.513 0.211 6.890 1.00 2.16 H new ATOM 0 HZ2 LYS A 54 -16.591 -1.401 6.362 1.00 2.16 H new ATOM 0 HZ3 LYS A 54 -16.718 -0.133 5.240 1.00 2.16 H new ATOM 891 N GLU A 55 -21.717 -5.285 2.885 1.00 1.26 N ATOM 892 CA GLU A 55 -22.336 -6.058 1.817 1.00 1.33 C ATOM 893 C GLU A 55 -23.850 -6.159 2.009 1.00 1.46 C ATOM 894 O GLU A 55 -24.585 -6.448 1.067 1.00 1.53 O ATOM 895 CB GLU A 55 -21.711 -7.445 1.710 1.00 1.44 C ATOM 896 CG GLU A 55 -21.415 -8.072 3.049 1.00 1.58 C ATOM 897 CD GLU A 55 -21.185 -9.561 2.949 1.00 1.79 C ATOM 898 OE1 GLU A 55 -20.039 -9.972 2.680 1.00 2.05 O ATOM 899 OE2 GLU A 55 -22.144 -10.332 3.158 1.00 1.96 O ATOM 0 H GLU A 55 -21.123 -5.822 3.517 1.00 1.26 H new ATOM 0 HA GLU A 55 -22.152 -5.530 0.881 1.00 1.33 H new ATOM 0 HB2 GLU A 55 -22.384 -8.097 1.152 1.00 1.44 H new ATOM 0 HB3 GLU A 55 -20.786 -7.376 1.137 1.00 1.44 H new ATOM 0 HG2 GLU A 55 -20.533 -7.599 3.482 1.00 1.58 H new ATOM 0 HG3 GLU A 55 -22.245 -7.880 3.729 1.00 1.58 H new ATOM 906 N GLU A 56 -24.308 -5.949 3.237 1.00 1.51 N ATOM 907 CA GLU A 56 -25.741 -5.952 3.522 1.00 1.64 C ATOM 908 C GLU A 56 -26.391 -4.622 3.159 1.00 1.57 C ATOM 909 O GLU A 56 -27.384 -4.588 2.437 1.00 1.62 O ATOM 910 CB GLU A 56 -26.006 -6.285 4.991 1.00 1.78 C ATOM 911 CG GLU A 56 -25.596 -7.696 5.378 1.00 1.87 C ATOM 912 CD GLU A 56 -25.895 -8.013 6.829 1.00 2.05 C ATOM 913 OE1 GLU A 56 -25.240 -7.431 7.718 1.00 2.40 O ATOM 914 OE2 GLU A 56 -26.786 -8.852 7.094 1.00 2.33 O ATOM 0 H GLU A 56 -23.714 -5.775 4.048 1.00 1.51 H new ATOM 0 HA GLU A 56 -26.190 -6.726 2.900 1.00 1.64 H new ATOM 0 HB2 GLU A 56 -25.468 -5.574 5.619 1.00 1.78 H new ATOM 0 HB3 GLU A 56 -27.068 -6.154 5.199 1.00 1.78 H new ATOM 0 HG2 GLU A 56 -26.117 -8.410 4.739 1.00 1.87 H new ATOM 0 HG3 GLU A 56 -24.529 -7.823 5.195 1.00 1.87 H new ATOM 921 N GLN A 57 -25.825 -3.531 3.642 1.00 1.48 N ATOM 922 CA GLN A 57 -26.427 -2.219 3.431 1.00 1.47 C ATOM 923 C GLN A 57 -25.676 -1.429 2.363 1.00 1.36 C ATOM 924 O GLN A 57 -26.261 -0.918 1.415 1.00 1.40 O ATOM 925 CB GLN A 57 -26.378 -1.403 4.710 1.00 1.55 C ATOM 926 CG GLN A 57 -26.175 -2.202 5.981 1.00 1.59 C ATOM 927 CD GLN A 57 -25.258 -1.463 6.929 1.00 1.75 C ATOM 928 OE1 GLN A 57 -25.704 -0.683 7.767 1.00 2.37 O ATOM 929 NE2 GLN A 57 -23.963 -1.697 6.785 1.00 1.85 N ATOM 0 H GLN A 57 -24.958 -3.522 4.179 1.00 1.48 H new ATOM 0 HA GLN A 57 -27.456 -2.390 3.115 1.00 1.47 H new ATOM 0 HB2 GLN A 57 -25.572 -0.674 4.626 1.00 1.55 H new ATOM 0 HB3 GLN A 57 -27.308 -0.841 4.799 1.00 1.55 H new ATOM 0 HG2 GLN A 57 -27.136 -2.382 6.462 1.00 1.59 H new ATOM 0 HG3 GLN A 57 -25.751 -3.177 5.741 1.00 1.59 H new ATOM 0 HE21 GLN A 57 -23.639 -2.354 6.075 1.00 1.85 H new ATOM 0 HE22 GLN A 57 -23.289 -1.221 7.384 1.00 1.85 H new ATOM 938 N ASN A 58 -24.357 -1.359 2.533 1.00 1.27 N ATOM 939 CA ASN A 58 -23.477 -0.556 1.677 1.00 1.21 C ATOM 940 C ASN A 58 -23.221 -1.264 0.348 1.00 1.16 C ATOM 941 O ASN A 58 -22.361 -0.862 -0.435 1.00 1.13 O ATOM 942 CB ASN A 58 -22.146 -0.304 2.399 1.00 1.21 C ATOM 943 CG ASN A 58 -22.254 0.680 3.554 1.00 1.55 C ATOM 944 OD1 ASN A 58 -23.438 0.815 4.128 1.00 2.20 O flip ATOM 945 ND2 ASN A 58 -21.270 1.324 3.917 1.00 1.95 N flip ATOM 0 H ASN A 58 -23.863 -1.860 3.272 1.00 1.27 H new ATOM 0 HA ASN A 58 -23.966 0.396 1.470 1.00 1.21 H new ATOM 0 HB2 ASN A 58 -21.762 -1.252 2.776 1.00 1.21 H new ATOM 0 HB3 ASN A 58 -21.418 0.072 1.680 1.00 1.21 H new ATOM 0 HD21 ASN A 58 -20.373 1.192 3.449 1.00 1.95 H new ATOM 0 HD22 ASN A 58 -21.351 1.990 4.686 1.00 1.95 H new ATOM 952 N ARG A 59 -23.959 -2.345 0.137 1.00 1.20 N ATOM 953 CA ARG A 59 -23.859 -3.169 -1.056 1.00 1.22 C ATOM 954 C ARG A 59 -24.034 -2.351 -2.332 1.00 1.19 C ATOM 955 O ARG A 59 -24.776 -1.367 -2.366 1.00 1.24 O ATOM 956 CB ARG A 59 -24.902 -4.286 -1.015 1.00 1.36 C ATOM 957 CG ARG A 59 -26.336 -3.788 -0.937 1.00 1.47 C ATOM 958 CD ARG A 59 -27.320 -4.941 -0.851 1.00 1.69 C ATOM 959 NE ARG A 59 -28.707 -4.480 -0.876 1.00 2.08 N ATOM 960 CZ ARG A 59 -29.734 -5.185 -0.404 1.00 2.67 C ATOM 961 NH1 ARG A 59 -29.532 -6.367 0.163 1.00 2.95 N ATOM 962 NH2 ARG A 59 -30.966 -4.701 -0.491 1.00 3.45 N ATOM 0 H ARG A 59 -24.656 -2.678 0.803 1.00 1.20 H new ATOM 0 HA ARG A 59 -22.858 -3.600 -1.069 1.00 1.22 H new ATOM 0 HB2 ARG A 59 -24.791 -4.906 -1.905 1.00 1.36 H new ATOM 0 HB3 ARG A 59 -24.702 -4.925 -0.155 1.00 1.36 H new ATOM 0 HG2 ARG A 59 -26.452 -3.143 -0.066 1.00 1.47 H new ATOM 0 HG3 ARG A 59 -26.560 -3.181 -1.814 1.00 1.47 H new ATOM 0 HD2 ARG A 59 -27.150 -5.625 -1.682 1.00 1.69 H new ATOM 0 HD3 ARG A 59 -27.141 -5.503 0.066 1.00 1.69 H new ATOM 0 HE ARG A 59 -28.900 -3.563 -1.279 1.00 2.08 H new ATOM 0 HH11 ARG A 59 -28.586 -6.741 0.240 1.00 2.95 H new ATOM 0 HH12 ARG A 59 -30.323 -6.902 0.522 1.00 2.95 H new ATOM 0 HH21 ARG A 59 -31.127 -3.789 -0.919 1.00 3.45 H new ATOM 0 HH22 ARG A 59 -31.753 -5.241 -0.130 1.00 3.45 H new ATOM 976 N GLY A 60 -23.328 -2.768 -3.367 1.00 1.15 N ATOM 977 CA GLY A 60 -23.457 -2.152 -4.674 1.00 1.15 C ATOM 978 C GLY A 60 -22.706 -0.838 -4.817 1.00 1.07 C ATOM 979 O GLY A 60 -22.629 -0.287 -5.915 1.00 1.09 O ATOM 0 H GLY A 60 -22.656 -3.535 -3.327 1.00 1.15 H new ATOM 0 HA2 GLY A 60 -23.095 -2.849 -5.430 1.00 1.15 H new ATOM 0 HA3 GLY A 60 -24.513 -1.979 -4.880 1.00 1.15 H new ATOM 983 N LYS A 61 -22.148 -0.325 -3.728 1.00 1.00 N ATOM 984 CA LYS A 61 -21.496 0.980 -3.769 1.00 0.95 C ATOM 985 C LYS A 61 -19.965 0.837 -3.746 1.00 0.80 C ATOM 986 O LYS A 61 -19.476 -0.272 -3.553 1.00 0.77 O ATOM 987 CB LYS A 61 -22.028 1.902 -2.664 1.00 1.04 C ATOM 988 CG LYS A 61 -21.313 1.823 -1.332 1.00 1.55 C ATOM 989 CD LYS A 61 -21.681 3.026 -0.491 1.00 2.06 C ATOM 990 CE LYS A 61 -21.044 2.993 0.887 1.00 2.55 C ATOM 991 NZ LYS A 61 -21.439 4.176 1.697 1.00 3.16 N ATOM 0 H LYS A 61 -22.132 -0.784 -2.817 1.00 1.00 H new ATOM 0 HA LYS A 61 -21.747 1.459 -4.715 1.00 0.95 H new ATOM 0 HB2 LYS A 61 -21.977 2.931 -3.021 1.00 1.04 H new ATOM 0 HB3 LYS A 61 -23.081 1.673 -2.503 1.00 1.04 H new ATOM 0 HG2 LYS A 61 -21.588 0.905 -0.813 1.00 1.55 H new ATOM 0 HG3 LYS A 61 -20.235 1.790 -1.487 1.00 1.55 H new ATOM 0 HD2 LYS A 61 -21.372 3.934 -1.008 1.00 2.06 H new ATOM 0 HD3 LYS A 61 -22.765 3.073 -0.385 1.00 2.06 H new ATOM 0 HE2 LYS A 61 -21.340 2.081 1.405 1.00 2.55 H new ATOM 0 HE3 LYS A 61 -19.959 2.965 0.787 1.00 2.55 H new ATOM 0 HZ1 LYS A 61 -20.987 4.123 2.632 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 -21.134 5.045 1.214 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 -22.473 4.188 1.812 1.00 3.16 H new ATOM 1005 N PRO A 62 -19.207 1.952 -3.996 1.00 0.77 N ATOM 1006 CA PRO A 62 -17.746 1.993 -4.236 1.00 0.66 C ATOM 1007 C PRO A 62 -16.877 0.867 -3.669 1.00 0.58 C ATOM 1008 O PRO A 62 -15.911 0.454 -4.306 1.00 0.51 O ATOM 1009 CB PRO A 62 -17.391 3.287 -3.531 1.00 0.70 C ATOM 1010 CG PRO A 62 -18.502 4.207 -3.901 1.00 0.81 C ATOM 1011 CD PRO A 62 -19.729 3.336 -4.102 1.00 0.85 C ATOM 0 HA PRO A 62 -17.548 1.896 -5.304 1.00 0.66 H new ATOM 0 HB2 PRO A 62 -17.327 3.150 -2.451 1.00 0.70 H new ATOM 0 HB3 PRO A 62 -16.426 3.671 -3.861 1.00 0.70 H new ATOM 0 HG2 PRO A 62 -18.673 4.945 -3.117 1.00 0.81 H new ATOM 0 HG3 PRO A 62 -18.263 4.758 -4.811 1.00 0.81 H new ATOM 0 HD2 PRO A 62 -20.488 3.535 -3.346 1.00 0.85 H new ATOM 0 HD3 PRO A 62 -20.191 3.515 -5.073 1.00 0.85 H new ATOM 1019 N ASN A 63 -17.225 0.344 -2.522 1.00 0.64 N ATOM 1020 CA ASN A 63 -16.432 -0.702 -1.889 1.00 0.63 C ATOM 1021 C ASN A 63 -16.448 -1.949 -2.748 1.00 0.56 C ATOM 1022 O ASN A 63 -15.449 -2.656 -2.857 1.00 0.51 O ATOM 1023 CB ASN A 63 -16.989 -1.018 -0.503 1.00 0.79 C ATOM 1024 CG ASN A 63 -18.111 -0.088 -0.079 1.00 1.09 C ATOM 1025 OD1 ASN A 63 -17.898 0.881 0.645 1.00 1.93 O ATOM 1026 ND2 ASN A 63 -19.305 -0.347 -0.573 1.00 1.06 N ATOM 0 H ASN A 63 -18.055 0.621 -1.997 1.00 0.64 H new ATOM 0 HA ASN A 63 -15.405 -0.353 -1.784 1.00 0.63 H new ATOM 0 HB2 ASN A 63 -17.354 -2.045 -0.492 1.00 0.79 H new ATOM 0 HB3 ASN A 63 -16.182 -0.959 0.227 1.00 0.79 H new ATOM 0 HD21 ASN A 63 -20.090 0.267 -0.357 1.00 1.06 H new ATOM 0 HD22 ASN A 63 -19.444 -1.162 -1.171 1.00 1.06 H new ATOM 1033 N TRP A 64 -17.587 -2.195 -3.363 1.00 0.61 N ATOM 1034 CA TRP A 64 -17.753 -3.313 -4.260 1.00 0.62 C ATOM 1035 C TRP A 64 -17.450 -2.865 -5.670 1.00 0.60 C ATOM 1036 O TRP A 64 -17.080 -3.666 -6.510 1.00 0.66 O ATOM 1037 CB TRP A 64 -19.164 -3.860 -4.145 1.00 0.78 C ATOM 1038 CG TRP A 64 -19.628 -3.810 -2.727 1.00 0.88 C ATOM 1039 CD1 TRP A 64 -20.594 -3.013 -2.216 1.00 1.00 C ATOM 1040 CD2 TRP A 64 -19.080 -4.538 -1.625 1.00 0.93 C ATOM 1041 NE1 TRP A 64 -20.705 -3.208 -0.865 1.00 1.09 N ATOM 1042 CE2 TRP A 64 -19.785 -4.147 -0.478 1.00 1.05 C ATOM 1043 CE3 TRP A 64 -18.076 -5.497 -1.505 1.00 0.96 C ATOM 1044 CZ2 TRP A 64 -19.505 -4.673 0.778 1.00 1.16 C ATOM 1045 CZ3 TRP A 64 -17.799 -6.017 -0.261 1.00 1.10 C ATOM 1046 CH2 TRP A 64 -18.513 -5.607 0.869 1.00 1.18 C ATOM 0 H TRP A 64 -18.424 -1.622 -3.252 1.00 0.61 H new ATOM 0 HA TRP A 64 -17.062 -4.113 -3.994 1.00 0.62 H new ATOM 0 HB2 TRP A 64 -19.838 -3.280 -4.775 1.00 0.78 H new ATOM 0 HB3 TRP A 64 -19.193 -4.887 -4.508 1.00 0.78 H new ATOM 0 HD1 TRP A 64 -21.192 -2.322 -2.791 1.00 1.00 H new ATOM 0 HE1 TRP A 64 -21.364 -2.733 -0.248 1.00 1.09 H new ATOM 0 HE3 TRP A 64 -17.525 -5.827 -2.373 1.00 0.96 H new ATOM 0 HZ2 TRP A 64 -20.053 -4.354 1.652 1.00 1.16 H new ATOM 0 HZ3 TRP A 64 -17.017 -6.754 -0.156 1.00 1.10 H new ATOM 0 HH2 TRP A 64 -18.276 -6.037 1.831 1.00 1.18 H new ATOM 1057 N GLU A 65 -17.609 -1.561 -5.895 1.00 0.57 N ATOM 1058 CA GLU A 65 -17.268 -0.931 -7.166 1.00 0.55 C ATOM 1059 C GLU A 65 -15.855 -1.296 -7.587 1.00 0.48 C ATOM 1060 O GLU A 65 -15.618 -1.771 -8.691 1.00 0.51 O ATOM 1061 CB GLU A 65 -17.381 0.594 -7.031 1.00 0.59 C ATOM 1062 CG GLU A 65 -16.360 1.368 -7.860 1.00 0.69 C ATOM 1063 CD GLU A 65 -16.048 2.729 -7.281 1.00 1.11 C ATOM 1064 OE1 GLU A 65 -15.233 2.807 -6.336 1.00 1.28 O ATOM 1065 OE2 GLU A 65 -16.632 3.727 -7.763 1.00 1.59 O ATOM 0 H GLU A 65 -17.978 -0.913 -5.199 1.00 0.57 H new ATOM 0 HA GLU A 65 -17.962 -1.289 -7.926 1.00 0.55 H new ATOM 0 HB2 GLU A 65 -18.383 0.901 -7.329 1.00 0.59 H new ATOM 0 HB3 GLU A 65 -17.263 0.865 -5.982 1.00 0.59 H new ATOM 0 HG2 GLU A 65 -15.440 0.788 -7.929 1.00 0.69 H new ATOM 0 HG3 GLU A 65 -16.738 1.488 -8.875 1.00 0.69 H new ATOM 1072 N HIS A 66 -14.916 -1.041 -6.700 1.00 0.43 N ATOM 1073 CA HIS A 66 -13.531 -1.330 -6.970 1.00 0.38 C ATOM 1074 C HIS A 66 -13.118 -2.672 -6.378 1.00 0.36 C ATOM 1075 O HIS A 66 -11.967 -3.069 -6.495 1.00 0.35 O ATOM 1076 CB HIS A 66 -12.650 -0.195 -6.454 1.00 0.38 C ATOM 1077 CG HIS A 66 -12.917 0.211 -5.040 1.00 0.40 C ATOM 1078 ND1 HIS A 66 -13.271 1.494 -4.681 1.00 0.47 N ATOM 1079 CD2 HIS A 66 -12.812 -0.486 -3.890 1.00 0.40 C ATOM 1080 CE1 HIS A 66 -13.361 1.571 -3.367 1.00 0.52 C ATOM 1081 NE2 HIS A 66 -13.087 0.383 -2.858 1.00 0.47 N ATOM 0 H HIS A 66 -15.092 -0.632 -5.782 1.00 0.43 H new ATOM 0 HA HIS A 66 -13.397 -1.405 -8.049 1.00 0.38 H new ATOM 0 HB2 HIS A 66 -11.606 -0.496 -6.540 1.00 0.38 H new ATOM 0 HB3 HIS A 66 -12.785 0.673 -7.099 1.00 0.38 H new ATOM 0 HD1 HIS A 66 -13.437 2.263 -5.330 1.00 0.47 H new ATOM 0 HD2 HIS A 66 -12.559 -1.532 -3.796 1.00 0.40 H new ATOM 0 HE1 HIS A 66 -13.616 2.456 -2.803 1.00 0.52 H new ATOM 1090 N LEU A 67 -14.062 -3.360 -5.733 1.00 0.38 N ATOM 1091 CA LEU A 67 -13.812 -4.699 -5.182 1.00 0.40 C ATOM 1092 C LEU A 67 -13.413 -5.656 -6.294 1.00 0.41 C ATOM 1093 O LEU A 67 -12.694 -6.630 -6.083 1.00 0.43 O ATOM 1094 CB LEU A 67 -15.066 -5.240 -4.493 1.00 0.48 C ATOM 1095 CG LEU A 67 -14.936 -6.642 -3.893 1.00 0.71 C ATOM 1096 CD1 LEU A 67 -14.246 -6.583 -2.540 1.00 1.01 C ATOM 1097 CD2 LEU A 67 -16.300 -7.304 -3.778 1.00 1.59 C ATOM 0 H LEU A 67 -15.009 -3.014 -5.578 1.00 0.38 H new ATOM 0 HA LEU A 67 -13.005 -4.619 -4.454 1.00 0.40 H new ATOM 0 HB2 LEU A 67 -15.350 -4.549 -3.699 1.00 0.48 H new ATOM 0 HB3 LEU A 67 -15.882 -5.247 -5.216 1.00 0.48 H new ATOM 0 HG LEU A 67 -14.322 -7.246 -4.561 1.00 0.71 H new ATOM 0 HD11 LEU A 67 -14.163 -7.589 -2.130 1.00 1.01 H new ATOM 0 HD12 LEU A 67 -13.250 -6.156 -2.658 1.00 1.01 H new ATOM 0 HD13 LEU A 67 -14.829 -5.961 -1.861 1.00 1.01 H new ATOM 0 HD21 LEU A 67 -16.186 -8.300 -3.349 1.00 1.59 H new ATOM 0 HD22 LEU A 67 -16.943 -6.703 -3.135 1.00 1.59 H new ATOM 0 HD23 LEU A 67 -16.750 -7.384 -4.767 1.00 1.59 H new ATOM 1109 N ASN A 68 -13.886 -5.336 -7.479 1.00 0.43 N ATOM 1110 CA ASN A 68 -13.672 -6.172 -8.654 1.00 0.47 C ATOM 1111 C ASN A 68 -12.372 -5.801 -9.359 1.00 0.44 C ATOM 1112 O ASN A 68 -12.046 -6.339 -10.416 1.00 0.52 O ATOM 1113 CB ASN A 68 -14.863 -6.078 -9.617 1.00 0.57 C ATOM 1114 CG ASN A 68 -15.430 -4.676 -9.731 1.00 0.84 C ATOM 1115 OD1 ASN A 68 -16.425 -4.372 -8.905 1.00 1.86 O flip ATOM 1116 ND2 ASN A 68 -14.992 -3.883 -10.562 1.00 0.58 N flip ATOM 0 H ASN A 68 -14.429 -4.492 -7.661 1.00 0.43 H new ATOM 0 HA ASN A 68 -13.589 -7.206 -8.320 1.00 0.47 H new ATOM 0 HB2 ASN A 68 -14.551 -6.418 -10.604 1.00 0.57 H new ATOM 0 HB3 ASN A 68 -15.649 -6.754 -9.280 1.00 0.57 H new ATOM 0 HD21 ASN A 68 -14.226 -4.159 -11.176 1.00 0.58 H new ATOM 0 HD22 ASN A 68 -15.394 -2.949 -10.637 1.00 0.58 H new ATOM 1123 N GLU A 69 -11.632 -4.883 -8.756 1.00 0.37 N ATOM 1124 CA GLU A 69 -10.279 -4.577 -9.198 1.00 0.37 C ATOM 1125 C GLU A 69 -9.297 -5.367 -8.338 1.00 0.32 C ATOM 1126 O GLU A 69 -9.709 -6.084 -7.422 1.00 0.35 O ATOM 1127 CB GLU A 69 -9.983 -3.076 -9.072 1.00 0.38 C ATOM 1128 CG GLU A 69 -10.976 -2.177 -9.796 1.00 0.45 C ATOM 1129 CD GLU A 69 -10.538 -0.723 -9.823 1.00 1.07 C ATOM 1130 OE1 GLU A 69 -10.532 -0.081 -8.752 1.00 1.85 O ATOM 1131 OE2 GLU A 69 -10.196 -0.211 -10.910 1.00 1.39 O ATOM 0 H GLU A 69 -11.947 -4.335 -7.956 1.00 0.37 H new ATOM 0 HA GLU A 69 -10.176 -4.853 -10.247 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -9.971 -2.808 -8.016 1.00 0.38 H new ATOM 0 HB3 GLU A 69 -8.984 -2.881 -9.461 1.00 0.38 H new ATOM 0 HG2 GLU A 69 -11.104 -2.533 -10.818 1.00 0.45 H new ATOM 0 HG3 GLU A 69 -11.948 -2.250 -9.309 1.00 0.45 H new ATOM 1138 N ASP A 70 -8.011 -5.246 -8.620 1.00 0.32 N ATOM 1139 CA ASP A 70 -7.000 -5.866 -7.773 1.00 0.30 C ATOM 1140 C ASP A 70 -6.631 -4.893 -6.667 1.00 0.22 C ATOM 1141 O ASP A 70 -6.614 -3.686 -6.898 1.00 0.24 O ATOM 1142 CB ASP A 70 -5.756 -6.261 -8.566 1.00 0.41 C ATOM 1143 CG ASP A 70 -5.032 -7.439 -7.939 1.00 0.63 C ATOM 1144 OD1 ASP A 70 -4.360 -7.260 -6.902 1.00 1.10 O ATOM 1145 OD2 ASP A 70 -5.140 -8.556 -8.486 1.00 1.21 O ATOM 0 H ASP A 70 -7.642 -4.731 -9.419 1.00 0.32 H new ATOM 0 HA ASP A 70 -7.413 -6.782 -7.351 1.00 0.30 H new ATOM 0 HB2 ASP A 70 -6.042 -6.513 -9.587 1.00 0.41 H new ATOM 0 HB3 ASP A 70 -5.079 -5.409 -8.626 1.00 0.41 H new ATOM 1150 N LEU A 71 -6.380 -5.408 -5.469 1.00 0.19 N ATOM 1151 CA LEU A 71 -6.132 -4.566 -4.297 1.00 0.17 C ATOM 1152 C LEU A 71 -5.016 -3.559 -4.568 1.00 0.17 C ATOM 1153 O LEU A 71 -3.888 -3.918 -4.858 1.00 0.20 O ATOM 1154 CB LEU A 71 -5.785 -5.439 -3.089 1.00 0.19 C ATOM 1155 CG LEU A 71 -5.508 -4.695 -1.778 1.00 0.41 C ATOM 1156 CD1 LEU A 71 -6.599 -3.683 -1.485 1.00 0.90 C ATOM 1157 CD2 LEU A 71 -5.389 -5.685 -0.630 1.00 0.79 C ATOM 0 H LEU A 71 -6.342 -6.410 -5.280 1.00 0.19 H new ATOM 0 HA LEU A 71 -7.041 -4.005 -4.080 1.00 0.17 H new ATOM 0 HB2 LEU A 71 -6.607 -6.135 -2.921 1.00 0.19 H new ATOM 0 HB3 LEU A 71 -4.907 -6.035 -3.337 1.00 0.19 H new ATOM 0 HG LEU A 71 -4.566 -4.157 -1.884 1.00 0.41 H new ATOM 0 HD11 LEU A 71 -6.377 -3.170 -0.549 1.00 0.90 H new ATOM 0 HD12 LEU A 71 -6.648 -2.956 -2.295 1.00 0.90 H new ATOM 0 HD13 LEU A 71 -7.557 -4.195 -1.399 1.00 0.90 H new ATOM 0 HD21 LEU A 71 -5.192 -5.146 0.297 1.00 0.79 H new ATOM 0 HD22 LEU A 71 -6.320 -6.244 -0.534 1.00 0.79 H new ATOM 0 HD23 LEU A 71 -4.570 -6.376 -0.829 1.00 0.79 H new ATOM 1169 N HIS A 72 -5.355 -2.289 -4.524 1.00 0.17 N ATOM 1170 CA HIS A 72 -4.375 -1.243 -4.727 1.00 0.17 C ATOM 1171 C HIS A 72 -4.715 -0.025 -3.895 1.00 0.17 C ATOM 1172 O HIS A 72 -5.856 0.150 -3.483 1.00 0.21 O ATOM 1173 CB HIS A 72 -4.272 -0.868 -6.205 1.00 0.20 C ATOM 1174 CG HIS A 72 -5.547 -0.374 -6.834 1.00 0.23 C ATOM 1175 ND1 HIS A 72 -6.376 -1.194 -7.558 1.00 0.29 N ATOM 1176 CD2 HIS A 72 -6.106 0.863 -6.898 1.00 0.25 C ATOM 1177 CE1 HIS A 72 -7.375 -0.496 -8.052 1.00 0.32 C ATOM 1178 NE2 HIS A 72 -7.240 0.758 -7.668 1.00 0.29 N ATOM 0 H HIS A 72 -6.303 -1.955 -4.349 1.00 0.17 H new ATOM 0 HA HIS A 72 -3.406 -1.624 -4.405 1.00 0.17 H new ATOM 0 HB2 HIS A 72 -3.510 -0.097 -6.315 1.00 0.20 H new ATOM 0 HB3 HIS A 72 -3.926 -1.740 -6.761 1.00 0.20 H new ATOM 0 HD1 HIS A 72 -6.238 -2.196 -7.693 1.00 0.29 H new ATOM 0 HD2 HIS A 72 -5.730 1.761 -6.431 1.00 0.25 H new ATOM 0 HE1 HIS A 72 -8.172 -0.885 -8.669 1.00 0.32 H new ATOM 1187 N VAL A 73 -3.741 0.834 -3.683 1.00 0.19 N ATOM 1188 CA VAL A 73 -3.979 2.058 -2.941 1.00 0.19 C ATOM 1189 C VAL A 73 -4.182 3.187 -3.928 1.00 0.20 C ATOM 1190 O VAL A 73 -3.509 3.252 -4.951 1.00 0.28 O ATOM 1191 CB VAL A 73 -2.831 2.395 -1.958 1.00 0.23 C ATOM 1192 CG1 VAL A 73 -2.580 1.224 -1.028 1.00 0.27 C ATOM 1193 CG2 VAL A 73 -1.550 2.773 -2.685 1.00 0.29 C ATOM 0 H VAL A 73 -2.783 0.711 -4.010 1.00 0.19 H new ATOM 0 HA VAL A 73 -4.871 1.919 -2.330 1.00 0.19 H new ATOM 0 HB VAL A 73 -3.142 3.261 -1.374 1.00 0.23 H new ATOM 0 HG11 VAL A 73 -1.771 1.472 -0.341 1.00 0.27 H new ATOM 0 HG12 VAL A 73 -3.485 1.010 -0.460 1.00 0.27 H new ATOM 0 HG13 VAL A 73 -2.303 0.347 -1.613 1.00 0.27 H new ATOM 0 HG21 VAL A 73 -0.772 3.001 -1.956 1.00 0.29 H new ATOM 0 HG22 VAL A 73 -1.228 1.941 -3.311 1.00 0.29 H new ATOM 0 HG23 VAL A 73 -1.731 3.648 -3.309 1.00 0.29 H new ATOM 1203 N LEU A 74 -5.138 4.038 -3.666 1.00 0.18 N ATOM 1204 CA LEU A 74 -5.458 5.086 -4.603 1.00 0.18 C ATOM 1205 C LEU A 74 -5.625 6.412 -3.912 1.00 0.18 C ATOM 1206 O LEU A 74 -6.538 6.604 -3.117 1.00 0.19 O ATOM 1207 CB LEU A 74 -6.725 4.728 -5.381 1.00 0.22 C ATOM 1208 CG LEU A 74 -7.382 5.895 -6.107 1.00 0.37 C ATOM 1209 CD1 LEU A 74 -6.458 6.474 -7.143 1.00 1.10 C ATOM 1210 CD2 LEU A 74 -8.700 5.476 -6.731 1.00 0.80 C ATOM 0 H LEU A 74 -5.706 4.029 -2.819 1.00 0.18 H new ATOM 0 HA LEU A 74 -4.625 5.178 -5.300 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -6.480 3.956 -6.111 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -7.448 4.295 -4.690 1.00 0.22 H new ATOM 0 HG LEU A 74 -7.591 6.671 -5.371 1.00 0.37 H new ATOM 0 HD11 LEU A 74 -6.951 7.305 -7.647 1.00 1.10 H new ATOM 0 HD12 LEU A 74 -5.548 6.831 -6.660 1.00 1.10 H new ATOM 0 HD13 LEU A 74 -6.204 5.706 -7.874 1.00 1.10 H new ATOM 0 HD21 LEU A 74 -9.147 6.328 -7.243 1.00 0.80 H new ATOM 0 HD22 LEU A 74 -8.525 4.674 -7.448 1.00 0.80 H new ATOM 0 HD23 LEU A 74 -9.376 5.125 -5.952 1.00 0.80 H new ATOM 1222 N ILE A 75 -4.739 7.327 -4.228 1.00 0.19 N ATOM 1223 CA ILE A 75 -4.912 8.686 -3.795 1.00 0.18 C ATOM 1224 C ILE A 75 -5.825 9.393 -4.780 1.00 0.18 C ATOM 1225 O ILE A 75 -5.448 9.652 -5.925 1.00 0.21 O ATOM 1226 CB ILE A 75 -3.571 9.444 -3.684 1.00 0.21 C ATOM 1227 CG1 ILE A 75 -2.574 8.920 -4.719 1.00 0.27 C ATOM 1228 CG2 ILE A 75 -3.013 9.342 -2.274 1.00 0.22 C ATOM 1229 CD1 ILE A 75 -1.345 9.783 -4.866 1.00 0.30 C ATOM 0 H ILE A 75 -3.898 7.154 -4.779 1.00 0.19 H new ATOM 0 HA ILE A 75 -5.352 8.674 -2.798 1.00 0.18 H new ATOM 0 HB ILE A 75 -3.747 10.499 -3.894 1.00 0.21 H new ATOM 0 HG12 ILE A 75 -2.268 7.912 -4.439 1.00 0.27 H new ATOM 0 HG13 ILE A 75 -3.072 8.845 -5.685 1.00 0.27 H new ATOM 0 HG21 ILE A 75 -2.068 9.882 -2.217 1.00 0.22 H new ATOM 0 HG22 ILE A 75 -3.723 9.776 -1.570 1.00 0.22 H new ATOM 0 HG23 ILE A 75 -2.847 8.294 -2.023 1.00 0.22 H new ATOM 0 HD11 ILE A 75 -0.684 9.350 -5.616 1.00 0.30 H new ATOM 0 HD12 ILE A 75 -1.639 10.785 -5.177 1.00 0.30 H new ATOM 0 HD13 ILE A 75 -0.823 9.838 -3.911 1.00 0.30 H new ATOM 1241 N THR A 76 -7.035 9.669 -4.341 1.00 0.17 N ATOM 1242 CA THR A 76 -7.999 10.367 -5.171 1.00 0.20 C ATOM 1243 C THR A 76 -8.073 11.820 -4.756 1.00 0.19 C ATOM 1244 O THR A 76 -8.549 12.136 -3.675 1.00 0.22 O ATOM 1245 CB THR A 76 -9.394 9.740 -5.037 1.00 0.24 C ATOM 1246 OG1 THR A 76 -9.329 8.577 -4.198 1.00 0.25 O ATOM 1247 CG2 THR A 76 -9.939 9.340 -6.388 1.00 0.31 C ATOM 0 H THR A 76 -7.377 9.421 -3.412 1.00 0.17 H new ATOM 0 HA THR A 76 -7.673 10.288 -6.208 1.00 0.20 H new ATOM 0 HB THR A 76 -10.056 10.484 -4.594 1.00 0.24 H new ATOM 0 HG1 THR A 76 -9.206 8.853 -3.266 1.00 0.25 H new ATOM 0 HG21 THR A 76 -10.928 8.899 -6.265 1.00 0.31 H new ATOM 0 HG22 THR A 76 -10.011 10.221 -7.026 1.00 0.31 H new ATOM 0 HG23 THR A 76 -9.271 8.612 -6.849 1.00 0.31 H new ATOM 1255 N VAL A 77 -7.592 12.695 -5.610 1.00 0.23 N ATOM 1256 CA VAL A 77 -7.533 14.101 -5.282 1.00 0.25 C ATOM 1257 C VAL A 77 -8.388 14.932 -6.231 1.00 0.33 C ATOM 1258 O VAL A 77 -8.210 14.906 -7.453 1.00 0.44 O ATOM 1259 CB VAL A 77 -6.077 14.615 -5.298 1.00 0.35 C ATOM 1260 CG1 VAL A 77 -5.371 14.257 -6.594 1.00 0.75 C ATOM 1261 CG2 VAL A 77 -6.038 16.113 -5.069 1.00 0.86 C ATOM 0 H VAL A 77 -7.236 12.458 -6.536 1.00 0.23 H new ATOM 0 HA VAL A 77 -7.933 14.212 -4.274 1.00 0.25 H new ATOM 0 HB VAL A 77 -5.545 14.122 -4.484 1.00 0.35 H new ATOM 0 HG11 VAL A 77 -4.349 14.635 -6.568 1.00 0.75 H new ATOM 0 HG12 VAL A 77 -5.354 13.174 -6.712 1.00 0.75 H new ATOM 0 HG13 VAL A 77 -5.903 14.705 -7.434 1.00 0.75 H new ATOM 0 HG21 VAL A 77 -5.004 16.457 -5.084 1.00 0.86 H new ATOM 0 HG22 VAL A 77 -6.599 16.616 -5.857 1.00 0.86 H new ATOM 0 HG23 VAL A 77 -6.484 16.345 -4.102 1.00 0.86 H new ATOM 1271 N GLU A 78 -9.349 15.637 -5.661 1.00 0.37 N ATOM 1272 CA GLU A 78 -10.142 16.573 -6.422 1.00 0.50 C ATOM 1273 C GLU A 78 -9.485 17.955 -6.393 1.00 0.63 C ATOM 1274 O GLU A 78 -9.691 18.733 -5.461 1.00 0.77 O ATOM 1275 CB GLU A 78 -11.570 16.649 -5.869 1.00 0.63 C ATOM 1276 CG GLU A 78 -12.294 15.309 -5.834 1.00 0.62 C ATOM 1277 CD GLU A 78 -11.989 14.492 -4.591 1.00 1.09 C ATOM 1278 OE1 GLU A 78 -12.414 14.901 -3.488 1.00 1.63 O ATOM 1279 OE2 GLU A 78 -11.333 13.438 -4.711 1.00 1.55 O ATOM 0 H GLU A 78 -9.596 15.576 -4.673 1.00 0.37 H new ATOM 0 HA GLU A 78 -10.196 16.227 -7.454 1.00 0.50 H new ATOM 0 HB2 GLU A 78 -11.536 17.058 -4.859 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -12.147 17.346 -6.476 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -13.368 15.483 -5.891 1.00 0.62 H new ATOM 0 HG3 GLU A 78 -12.018 14.732 -6.716 1.00 0.62 H new ATOM 1286 N ASP A 79 -8.671 18.233 -7.404 1.00 0.66 N ATOM 1287 CA ASP A 79 -7.983 19.516 -7.537 1.00 0.84 C ATOM 1288 C ASP A 79 -7.343 19.574 -8.917 1.00 0.75 C ATOM 1289 O ASP A 79 -7.584 18.684 -9.734 1.00 1.08 O ATOM 1290 CB ASP A 79 -6.912 19.689 -6.444 1.00 1.20 C ATOM 1291 CG ASP A 79 -6.469 21.136 -6.272 1.00 1.67 C ATOM 1292 OD1 ASP A 79 -7.213 21.918 -5.642 1.00 2.05 O ATOM 1293 OD2 ASP A 79 -5.382 21.503 -6.765 1.00 1.81 O ATOM 0 H ASP A 79 -8.468 17.576 -8.157 1.00 0.66 H new ATOM 0 HA ASP A 79 -8.702 20.327 -7.419 1.00 0.84 H new ATOM 0 HB2 ASP A 79 -7.304 19.319 -5.497 1.00 1.20 H new ATOM 0 HB3 ASP A 79 -6.045 19.076 -6.691 1.00 1.20 H new ATOM 1298 N ALA A 80 -6.547 20.604 -9.180 1.00 0.91 N ATOM 1299 CA ALA A 80 -5.851 20.720 -10.452 1.00 1.17 C ATOM 1300 C ALA A 80 -4.817 19.610 -10.592 1.00 1.09 C ATOM 1301 O ALA A 80 -5.016 18.670 -11.360 1.00 1.60 O ATOM 1302 CB ALA A 80 -5.195 22.084 -10.588 1.00 1.85 C ATOM 0 H ALA A 80 -6.369 21.369 -8.529 1.00 0.91 H new ATOM 0 HA ALA A 80 -6.582 20.617 -11.254 1.00 1.17 H new ATOM 0 HB1 ALA A 80 -4.681 22.146 -11.547 1.00 1.85 H new ATOM 0 HB2 ALA A 80 -5.957 22.861 -10.533 1.00 1.85 H new ATOM 0 HB3 ALA A 80 -4.476 22.224 -9.781 1.00 1.85 H new ATOM 1308 N GLN A 81 -3.724 19.713 -9.831 1.00 1.04 N ATOM 1309 CA GLN A 81 -2.693 18.683 -9.832 1.00 1.65 C ATOM 1310 C GLN A 81 -1.553 19.011 -8.863 1.00 0.98 C ATOM 1311 O GLN A 81 -1.535 18.518 -7.739 1.00 0.75 O ATOM 1312 CB GLN A 81 -2.132 18.474 -11.245 1.00 2.75 C ATOM 1313 CG GLN A 81 -1.123 17.347 -11.333 1.00 3.72 C ATOM 1314 CD GLN A 81 -0.778 16.974 -12.759 1.00 4.69 C ATOM 1315 OE1 GLN A 81 -0.840 17.800 -13.669 1.00 5.14 O ATOM 1316 NE2 GLN A 81 -0.411 15.720 -12.962 1.00 5.39 N ATOM 0 H GLN A 81 -3.534 20.499 -9.209 1.00 1.04 H new ATOM 0 HA GLN A 81 -3.166 17.761 -9.494 1.00 1.65 H new ATOM 0 HB2 GLN A 81 -2.956 18.268 -11.928 1.00 2.75 H new ATOM 0 HB3 GLN A 81 -1.663 19.398 -11.582 1.00 2.75 H new ATOM 0 HG2 GLN A 81 -0.213 17.639 -10.809 1.00 3.72 H new ATOM 0 HG3 GLN A 81 -1.519 16.471 -10.819 1.00 3.72 H new ATOM 0 HE21 GLN A 81 -0.373 15.067 -12.180 1.00 5.39 H new ATOM 0 HE22 GLN A 81 -0.166 15.406 -13.901 1.00 5.39 H new ATOM 1325 N ASN A 82 -0.652 19.894 -9.293 1.00 0.84 N ATOM 1326 CA ASN A 82 0.671 20.070 -8.669 1.00 0.71 C ATOM 1327 C ASN A 82 0.654 20.161 -7.143 1.00 0.59 C ATOM 1328 O ASN A 82 1.236 19.313 -6.465 1.00 0.56 O ATOM 1329 CB ASN A 82 1.352 21.319 -9.226 1.00 1.13 C ATOM 1330 CG ASN A 82 1.800 21.147 -10.661 1.00 1.74 C ATOM 1331 OD1 ASN A 82 1.051 21.425 -11.594 1.00 2.48 O ATOM 1332 ND2 ASN A 82 3.030 20.699 -10.843 1.00 2.28 N ATOM 0 H ASN A 82 -0.814 20.513 -10.087 1.00 0.84 H new ATOM 0 HA ASN A 82 1.224 19.165 -8.920 1.00 0.71 H new ATOM 0 HB2 ASN A 82 0.664 22.162 -9.163 1.00 1.13 H new ATOM 0 HB3 ASN A 82 2.215 21.564 -8.607 1.00 1.13 H new ATOM 0 HD21 ASN A 82 3.392 20.572 -11.788 1.00 2.28 H new ATOM 0 HD22 ASN A 82 3.618 20.481 -10.038 1.00 2.28 H new ATOM 1339 N ARG A 83 0.000 21.187 -6.606 1.00 0.65 N ATOM 1340 CA ARG A 83 0.038 21.449 -5.164 1.00 0.63 C ATOM 1341 C ARG A 83 -0.539 20.275 -4.373 1.00 0.46 C ATOM 1342 O ARG A 83 0.109 19.719 -3.467 1.00 0.43 O ATOM 1343 CB ARG A 83 -0.735 22.741 -4.834 1.00 0.81 C ATOM 1344 CG ARG A 83 -2.187 22.713 -5.287 1.00 1.66 C ATOM 1345 CD ARG A 83 -2.958 23.951 -4.871 1.00 2.10 C ATOM 1346 NE ARG A 83 -4.376 23.818 -5.198 1.00 2.64 N ATOM 1347 CZ ARG A 83 -5.267 24.798 -5.087 1.00 3.34 C ATOM 1348 NH1 ARG A 83 -4.890 26.010 -4.692 1.00 3.68 N ATOM 1349 NH2 ARG A 83 -6.538 24.560 -5.378 1.00 4.17 N ATOM 0 H ARG A 83 -0.561 21.850 -7.141 1.00 0.65 H new ATOM 0 HA ARG A 83 1.081 21.574 -4.873 1.00 0.63 H new ATOM 0 HB2 ARG A 83 -0.702 22.910 -3.758 1.00 0.81 H new ATOM 0 HB3 ARG A 83 -0.232 23.586 -5.305 1.00 0.81 H new ATOM 0 HG2 ARG A 83 -2.222 22.617 -6.372 1.00 1.66 H new ATOM 0 HG3 ARG A 83 -2.675 21.831 -4.873 1.00 1.66 H new ATOM 0 HD2 ARG A 83 -2.842 24.113 -3.799 1.00 2.10 H new ATOM 0 HD3 ARG A 83 -2.546 24.826 -5.373 1.00 2.10 H new ATOM 0 HE ARG A 83 -4.704 22.912 -5.534 1.00 2.64 H new ATOM 0 HH11 ARG A 83 -3.911 26.193 -4.472 1.00 3.68 H new ATOM 0 HH12 ARG A 83 -5.580 26.757 -4.609 1.00 3.68 H new ATOM 0 HH21 ARG A 83 -6.826 23.631 -5.684 1.00 4.17 H new ATOM 0 HH22 ARG A 83 -7.228 25.306 -5.296 1.00 4.17 H new ATOM 1363 N ALA A 84 -1.741 19.875 -4.746 1.00 0.43 N ATOM 1364 CA ALA A 84 -2.471 18.883 -3.999 1.00 0.38 C ATOM 1365 C ALA A 84 -1.818 17.527 -4.131 1.00 0.29 C ATOM 1366 O ALA A 84 -1.554 16.872 -3.123 1.00 0.35 O ATOM 1367 CB ALA A 84 -3.918 18.838 -4.453 1.00 0.49 C ATOM 0 H ALA A 84 -2.230 20.228 -5.568 1.00 0.43 H new ATOM 0 HA ALA A 84 -2.454 19.161 -2.945 1.00 0.38 H new ATOM 0 HB1 ALA A 84 -4.456 18.084 -3.879 1.00 0.49 H new ATOM 0 HB2 ALA A 84 -4.380 19.813 -4.294 1.00 0.49 H new ATOM 0 HB3 ALA A 84 -3.959 18.585 -5.513 1.00 0.49 H new ATOM 1373 N GLU A 85 -1.507 17.131 -5.364 1.00 0.25 N ATOM 1374 CA GLU A 85 -0.954 15.811 -5.608 1.00 0.26 C ATOM 1375 C GLU A 85 0.333 15.645 -4.826 1.00 0.28 C ATOM 1376 O GLU A 85 0.578 14.590 -4.268 1.00 0.34 O ATOM 1377 CB GLU A 85 -0.690 15.546 -7.098 1.00 0.34 C ATOM 1378 CG GLU A 85 0.581 16.205 -7.629 1.00 0.49 C ATOM 1379 CD GLU A 85 1.095 15.574 -8.906 1.00 0.79 C ATOM 1380 OE1 GLU A 85 1.320 14.351 -8.926 1.00 1.31 O ATOM 1381 OE2 GLU A 85 1.237 16.293 -9.913 1.00 1.24 O ATOM 0 H GLU A 85 -1.629 17.703 -6.199 1.00 0.25 H new ATOM 0 HA GLU A 85 -1.696 15.084 -5.277 1.00 0.26 H new ATOM 0 HB2 GLU A 85 -0.624 14.470 -7.259 1.00 0.34 H new ATOM 0 HB3 GLU A 85 -1.542 15.903 -7.677 1.00 0.34 H new ATOM 0 HG2 GLU A 85 0.386 17.262 -7.807 1.00 0.49 H new ATOM 0 HG3 GLU A 85 1.357 16.148 -6.866 1.00 0.49 H new ATOM 1388 N LEU A 86 1.119 16.717 -4.741 1.00 0.30 N ATOM 1389 CA LEU A 86 2.400 16.668 -4.055 1.00 0.36 C ATOM 1390 C LEU A 86 2.204 16.298 -2.596 1.00 0.28 C ATOM 1391 O LEU A 86 2.969 15.509 -2.036 1.00 0.28 O ATOM 1392 CB LEU A 86 3.115 18.013 -4.141 1.00 0.47 C ATOM 1393 CG LEU A 86 4.552 18.002 -3.620 1.00 0.73 C ATOM 1394 CD1 LEU A 86 5.438 17.139 -4.507 1.00 1.45 C ATOM 1395 CD2 LEU A 86 5.100 19.416 -3.524 1.00 1.47 C ATOM 0 H LEU A 86 0.888 17.627 -5.140 1.00 0.30 H new ATOM 0 HA LEU A 86 3.012 15.910 -4.544 1.00 0.36 H new ATOM 0 HB2 LEU A 86 3.121 18.341 -5.181 1.00 0.47 H new ATOM 0 HB3 LEU A 86 2.543 18.751 -3.578 1.00 0.47 H new ATOM 0 HG LEU A 86 4.549 17.571 -2.619 1.00 0.73 H new ATOM 0 HD11 LEU A 86 6.457 17.144 -4.119 1.00 1.45 H new ATOM 0 HD12 LEU A 86 5.059 16.117 -4.516 1.00 1.45 H new ATOM 0 HD13 LEU A 86 5.434 17.537 -5.522 1.00 1.45 H new ATOM 0 HD21 LEU A 86 6.124 19.385 -3.151 1.00 1.47 H new ATOM 0 HD22 LEU A 86 5.087 19.879 -4.511 1.00 1.47 H new ATOM 0 HD23 LEU A 86 4.483 20.000 -2.841 1.00 1.47 H new ATOM 1407 N LYS A 87 1.170 16.857 -1.990 1.00 0.24 N ATOM 1408 CA LYS A 87 0.905 16.603 -0.583 1.00 0.22 C ATOM 1409 C LYS A 87 0.432 15.161 -0.364 1.00 0.18 C ATOM 1410 O LYS A 87 0.912 14.468 0.538 1.00 0.20 O ATOM 1411 CB LYS A 87 -0.127 17.604 -0.057 1.00 0.27 C ATOM 1412 CG LYS A 87 -0.229 17.640 1.458 1.00 0.29 C ATOM 1413 CD LYS A 87 -1.011 18.855 1.938 1.00 0.75 C ATOM 1414 CE LYS A 87 -1.199 18.843 3.447 1.00 1.40 C ATOM 1415 NZ LYS A 87 0.095 18.822 4.177 1.00 1.74 N ATOM 0 H LYS A 87 0.506 17.484 -2.444 1.00 0.24 H new ATOM 0 HA LYS A 87 1.833 16.733 -0.025 1.00 0.22 H new ATOM 0 HB2 LYS A 87 0.130 18.600 -0.418 1.00 0.27 H new ATOM 0 HB3 LYS A 87 -1.104 17.356 -0.472 1.00 0.27 H new ATOM 0 HG2 LYS A 87 -0.715 16.731 1.812 1.00 0.29 H new ATOM 0 HG3 LYS A 87 0.771 17.656 1.890 1.00 0.29 H new ATOM 0 HD2 LYS A 87 -0.487 19.764 1.644 1.00 0.75 H new ATOM 0 HD3 LYS A 87 -1.985 18.877 1.450 1.00 0.75 H new ATOM 0 HE2 LYS A 87 -1.768 19.723 3.747 1.00 1.40 H new ATOM 0 HE3 LYS A 87 -1.788 17.971 3.731 1.00 1.40 H new ATOM 0 HZ1 LYS A 87 -0.077 18.968 5.192 1.00 1.74 H new ATOM 0 HZ2 LYS A 87 0.560 17.903 4.033 1.00 1.74 H new ATOM 0 HZ3 LYS A 87 0.709 19.581 3.817 1.00 1.74 H new ATOM 1429 N LEU A 88 -0.500 14.701 -1.186 1.00 0.19 N ATOM 1430 CA LEU A 88 -0.997 13.332 -1.069 1.00 0.21 C ATOM 1431 C LEU A 88 0.018 12.304 -1.540 1.00 0.21 C ATOM 1432 O LEU A 88 0.071 11.204 -1.004 1.00 0.22 O ATOM 1433 CB LEU A 88 -2.328 13.155 -1.795 1.00 0.30 C ATOM 1434 CG LEU A 88 -2.478 13.919 -3.100 1.00 0.54 C ATOM 1435 CD1 LEU A 88 -2.634 12.964 -4.265 1.00 1.09 C ATOM 1436 CD2 LEU A 88 -3.672 14.849 -3.012 1.00 1.33 C ATOM 0 H LEU A 88 -0.926 15.247 -1.935 1.00 0.19 H new ATOM 0 HA LEU A 88 -1.164 13.155 -0.007 1.00 0.21 H new ATOM 0 HB2 LEU A 88 -2.470 12.094 -1.999 1.00 0.30 H new ATOM 0 HB3 LEU A 88 -3.130 13.461 -1.123 1.00 0.30 H new ATOM 0 HG LEU A 88 -1.578 14.510 -3.268 1.00 0.54 H new ATOM 0 HD11 LEU A 88 -2.740 13.532 -5.189 1.00 1.09 H new ATOM 0 HD12 LEU A 88 -1.754 12.324 -4.331 1.00 1.09 H new ATOM 0 HD13 LEU A 88 -3.520 12.348 -4.114 1.00 1.09 H new ATOM 0 HD21 LEU A 88 -3.777 15.396 -3.949 1.00 1.33 H new ATOM 0 HD22 LEU A 88 -4.575 14.266 -2.829 1.00 1.33 H new ATOM 0 HD23 LEU A 88 -3.524 15.555 -2.195 1.00 1.33 H new ATOM 1448 N LYS A 89 0.830 12.649 -2.528 1.00 0.26 N ATOM 1449 CA LYS A 89 1.799 11.702 -3.062 1.00 0.31 C ATOM 1450 C LYS A 89 2.922 11.443 -2.066 1.00 0.29 C ATOM 1451 O LYS A 89 3.402 10.323 -1.962 1.00 0.30 O ATOM 1452 CB LYS A 89 2.350 12.153 -4.425 1.00 0.41 C ATOM 1453 CG LYS A 89 3.226 13.396 -4.392 1.00 0.47 C ATOM 1454 CD LYS A 89 4.705 13.062 -4.299 1.00 0.90 C ATOM 1455 CE LYS A 89 5.286 12.645 -5.648 1.00 1.05 C ATOM 1456 NZ LYS A 89 4.773 11.328 -6.115 1.00 2.07 N ATOM 0 H LYS A 89 0.839 13.567 -2.973 1.00 0.26 H new ATOM 0 HA LYS A 89 1.275 10.760 -3.225 1.00 0.31 H new ATOM 0 HB2 LYS A 89 2.926 11.334 -4.855 1.00 0.41 H new ATOM 0 HB3 LYS A 89 1.510 12.338 -5.095 1.00 0.41 H new ATOM 0 HG2 LYS A 89 3.046 13.988 -5.290 1.00 0.47 H new ATOM 0 HG3 LYS A 89 2.942 14.014 -3.540 1.00 0.47 H new ATOM 0 HD2 LYS A 89 5.249 13.929 -3.923 1.00 0.90 H new ATOM 0 HD3 LYS A 89 4.850 12.257 -3.578 1.00 0.90 H new ATOM 0 HE2 LYS A 89 5.049 13.406 -6.391 1.00 1.05 H new ATOM 0 HE3 LYS A 89 6.372 12.600 -5.572 1.00 1.05 H new ATOM 0 HZ1 LYS A 89 5.393 10.960 -6.865 1.00 2.07 H new ATOM 0 HZ2 LYS A 89 4.758 10.659 -5.319 1.00 2.07 H new ATOM 0 HZ3 LYS A 89 3.809 11.443 -6.488 1.00 2.07 H new ATOM 1470 N ARG A 90 3.338 12.463 -1.321 1.00 0.27 N ATOM 1471 CA ARG A 90 4.349 12.252 -0.290 1.00 0.30 C ATOM 1472 C ARG A 90 3.765 11.386 0.820 1.00 0.25 C ATOM 1473 O ARG A 90 4.439 10.506 1.360 1.00 0.28 O ATOM 1474 CB ARG A 90 4.886 13.573 0.286 1.00 0.36 C ATOM 1475 CG ARG A 90 3.817 14.487 0.856 1.00 0.35 C ATOM 1476 CD ARG A 90 4.306 15.239 2.082 1.00 0.75 C ATOM 1477 NE ARG A 90 4.520 14.344 3.221 1.00 1.44 N ATOM 1478 CZ ARG A 90 4.133 14.614 4.466 1.00 1.98 C ATOM 1479 NH1 ARG A 90 3.530 15.764 4.748 1.00 2.10 N ATOM 1480 NH2 ARG A 90 4.337 13.725 5.431 1.00 2.93 N ATOM 0 H ARG A 90 3.001 13.422 -1.408 1.00 0.27 H new ATOM 0 HA ARG A 90 5.196 11.745 -0.752 1.00 0.30 H new ATOM 0 HB2 ARG A 90 5.609 13.347 1.069 1.00 0.36 H new ATOM 0 HB3 ARG A 90 5.423 14.106 -0.499 1.00 0.36 H new ATOM 0 HG2 ARG A 90 3.506 15.201 0.093 1.00 0.35 H new ATOM 0 HG3 ARG A 90 2.938 13.898 1.119 1.00 0.35 H new ATOM 0 HD2 ARG A 90 5.237 15.754 1.845 1.00 0.75 H new ATOM 0 HD3 ARG A 90 3.578 16.004 2.353 1.00 0.75 H new ATOM 0 HE ARG A 90 4.995 13.458 3.050 1.00 1.44 H new ATOM 0 HH11 ARG A 90 3.361 16.446 4.009 1.00 2.10 H new ATOM 0 HH12 ARG A 90 3.236 15.965 5.704 1.00 2.10 H new ATOM 0 HH21 ARG A 90 4.790 12.836 5.218 1.00 2.93 H new ATOM 0 HH22 ARG A 90 4.041 13.931 6.385 1.00 2.93 H new ATOM 1494 N ALA A 91 2.498 11.628 1.136 1.00 0.22 N ATOM 1495 CA ALA A 91 1.792 10.837 2.128 1.00 0.23 C ATOM 1496 C ALA A 91 1.595 9.405 1.642 1.00 0.21 C ATOM 1497 O ALA A 91 1.823 8.446 2.380 1.00 0.24 O ATOM 1498 CB ALA A 91 0.450 11.473 2.438 1.00 0.26 C ATOM 0 H ALA A 91 1.939 12.370 0.715 1.00 0.22 H new ATOM 0 HA ALA A 91 2.393 10.809 3.037 1.00 0.23 H new ATOM 0 HB1 ALA A 91 -0.073 10.874 3.183 1.00 0.26 H new ATOM 0 HB2 ALA A 91 0.605 12.480 2.826 1.00 0.26 H new ATOM 0 HB3 ALA A 91 -0.148 11.523 1.528 1.00 0.26 H new ATOM 1504 N VAL A 92 1.182 9.265 0.390 1.00 0.18 N ATOM 1505 CA VAL A 92 0.915 7.957 -0.181 1.00 0.19 C ATOM 1506 C VAL A 92 2.214 7.198 -0.426 1.00 0.22 C ATOM 1507 O VAL A 92 2.233 5.976 -0.408 1.00 0.24 O ATOM 1508 CB VAL A 92 0.099 8.049 -1.491 1.00 0.22 C ATOM 1509 CG1 VAL A 92 0.982 8.410 -2.674 1.00 0.25 C ATOM 1510 CG2 VAL A 92 -0.639 6.746 -1.743 1.00 0.26 C ATOM 0 H VAL A 92 1.025 10.044 -0.249 1.00 0.18 H new ATOM 0 HA VAL A 92 0.314 7.410 0.546 1.00 0.19 H new ATOM 0 HB VAL A 92 -0.633 8.848 -1.377 1.00 0.22 H new ATOM 0 HG11 VAL A 92 0.375 8.466 -3.578 1.00 0.25 H new ATOM 0 HG12 VAL A 92 1.454 9.376 -2.494 1.00 0.25 H new ATOM 0 HG13 VAL A 92 1.751 7.648 -2.800 1.00 0.25 H new ATOM 0 HG21 VAL A 92 -1.210 6.824 -2.668 1.00 0.26 H new ATOM 0 HG22 VAL A 92 0.080 5.931 -1.828 1.00 0.26 H new ATOM 0 HG23 VAL A 92 -1.318 6.546 -0.914 1.00 0.26 H new ATOM 1520 N GLU A 93 3.291 7.926 -0.674 1.00 0.25 N ATOM 1521 CA GLU A 93 4.610 7.324 -0.779 1.00 0.31 C ATOM 1522 C GLU A 93 5.057 6.748 0.558 1.00 0.31 C ATOM 1523 O GLU A 93 5.844 5.801 0.611 1.00 0.33 O ATOM 1524 CB GLU A 93 5.623 8.322 -1.315 1.00 0.39 C ATOM 1525 CG GLU A 93 5.774 8.240 -2.825 1.00 0.71 C ATOM 1526 CD GLU A 93 6.755 9.245 -3.379 1.00 1.14 C ATOM 1527 OE1 GLU A 93 7.924 9.234 -2.950 1.00 1.63 O ATOM 1528 OE2 GLU A 93 6.354 10.069 -4.230 1.00 1.61 O ATOM 0 H GLU A 93 3.277 8.937 -0.807 1.00 0.25 H new ATOM 0 HA GLU A 93 4.547 6.500 -1.490 1.00 0.31 H new ATOM 0 HB2 GLU A 93 5.317 9.331 -1.037 1.00 0.39 H new ATOM 0 HB3 GLU A 93 6.590 8.142 -0.846 1.00 0.39 H new ATOM 0 HG2 GLU A 93 6.099 7.236 -3.097 1.00 0.71 H new ATOM 0 HG3 GLU A 93 4.801 8.397 -3.290 1.00 0.71 H new ATOM 1535 N GLU A 94 4.571 7.323 1.639 1.00 0.31 N ATOM 1536 CA GLU A 94 4.768 6.716 2.942 1.00 0.34 C ATOM 1537 C GLU A 94 3.956 5.424 3.032 1.00 0.29 C ATOM 1538 O GLU A 94 4.374 4.456 3.669 1.00 0.29 O ATOM 1539 CB GLU A 94 4.405 7.692 4.059 1.00 0.42 C ATOM 1540 CG GLU A 94 5.334 8.896 4.114 1.00 0.90 C ATOM 1541 CD GLU A 94 5.016 9.844 5.249 1.00 1.40 C ATOM 1542 OE1 GLU A 94 5.054 9.408 6.417 1.00 1.62 O ATOM 1543 OE2 GLU A 94 4.731 11.032 4.974 1.00 2.09 O ATOM 0 H GLU A 94 4.044 8.197 1.644 1.00 0.31 H new ATOM 0 HA GLU A 94 5.822 6.469 3.068 1.00 0.34 H new ATOM 0 HB2 GLU A 94 3.380 8.035 3.917 1.00 0.42 H new ATOM 0 HB3 GLU A 94 4.436 7.170 5.016 1.00 0.42 H new ATOM 0 HG2 GLU A 94 6.362 8.549 4.217 1.00 0.90 H new ATOM 0 HG3 GLU A 94 5.273 9.437 3.170 1.00 0.90 H new ATOM 1550 N VAL A 95 2.803 5.403 2.365 1.00 0.28 N ATOM 1551 CA VAL A 95 2.048 4.168 2.182 1.00 0.26 C ATOM 1552 C VAL A 95 2.802 3.228 1.262 1.00 0.25 C ATOM 1553 O VAL A 95 2.723 2.019 1.410 1.00 0.26 O ATOM 1554 CB VAL A 95 0.635 4.405 1.614 1.00 0.25 C ATOM 1555 CG1 VAL A 95 -0.073 3.074 1.388 1.00 0.48 C ATOM 1556 CG2 VAL A 95 -0.177 5.299 2.541 1.00 0.62 C ATOM 0 H VAL A 95 2.373 6.227 1.944 1.00 0.28 H new ATOM 0 HA VAL A 95 1.934 3.725 3.172 1.00 0.26 H new ATOM 0 HB VAL A 95 0.729 4.914 0.655 1.00 0.25 H new ATOM 0 HG11 VAL A 95 -1.070 3.256 0.987 1.00 0.48 H new ATOM 0 HG12 VAL A 95 0.499 2.473 0.681 1.00 0.48 H new ATOM 0 HG13 VAL A 95 -0.155 2.540 2.335 1.00 0.48 H new ATOM 0 HG21 VAL A 95 -1.171 5.453 2.120 1.00 0.62 H new ATOM 0 HG22 VAL A 95 -0.266 4.824 3.518 1.00 0.62 H new ATOM 0 HG23 VAL A 95 0.324 6.261 2.649 1.00 0.62 H new ATOM 1566 N LYS A 96 3.528 3.793 0.312 1.00 0.26 N ATOM 1567 CA LYS A 96 4.367 3.013 -0.586 1.00 0.30 C ATOM 1568 C LYS A 96 5.328 2.150 0.228 1.00 0.33 C ATOM 1569 O LYS A 96 5.634 1.017 -0.140 1.00 0.39 O ATOM 1570 CB LYS A 96 5.157 3.950 -1.495 1.00 0.36 C ATOM 1571 CG LYS A 96 5.502 3.364 -2.842 1.00 0.88 C ATOM 1572 CD LYS A 96 4.296 3.361 -3.758 1.00 1.20 C ATOM 1573 CE LYS A 96 4.697 3.035 -5.184 1.00 1.69 C ATOM 1574 NZ LYS A 96 5.626 4.054 -5.748 1.00 2.00 N ATOM 0 H LYS A 96 3.554 4.798 0.141 1.00 0.26 H new ATOM 0 HA LYS A 96 3.737 2.368 -1.198 1.00 0.30 H new ATOM 0 HB2 LYS A 96 4.580 4.863 -1.646 1.00 0.36 H new ATOM 0 HB3 LYS A 96 6.079 4.236 -0.989 1.00 0.36 H new ATOM 0 HG2 LYS A 96 6.308 3.940 -3.297 1.00 0.88 H new ATOM 0 HG3 LYS A 96 5.870 2.346 -2.716 1.00 0.88 H new ATOM 0 HD2 LYS A 96 3.569 2.630 -3.405 1.00 1.20 H new ATOM 0 HD3 LYS A 96 3.809 4.336 -3.727 1.00 1.20 H new ATOM 0 HE2 LYS A 96 5.173 2.055 -5.212 1.00 1.69 H new ATOM 0 HE3 LYS A 96 3.805 2.974 -5.807 1.00 1.69 H new ATOM 0 HZ1 LYS A 96 5.296 4.341 -6.692 1.00 2.00 H new ATOM 0 HZ2 LYS A 96 5.651 4.885 -5.123 1.00 2.00 H new ATOM 0 HZ3 LYS A 96 6.581 3.649 -5.824 1.00 2.00 H new ATOM 1588 N LYS A 97 5.815 2.705 1.328 1.00 0.33 N ATOM 1589 CA LYS A 97 6.653 1.956 2.250 1.00 0.39 C ATOM 1590 C LYS A 97 5.817 1.066 3.169 1.00 0.35 C ATOM 1591 O LYS A 97 6.318 0.080 3.708 1.00 0.45 O ATOM 1592 CB LYS A 97 7.551 2.897 3.058 1.00 0.49 C ATOM 1593 CG LYS A 97 8.650 3.541 2.220 1.00 1.09 C ATOM 1594 CD LYS A 97 9.542 2.486 1.576 1.00 1.89 C ATOM 1595 CE LYS A 97 10.610 3.104 0.687 1.00 2.76 C ATOM 1596 NZ LYS A 97 11.567 3.943 1.454 1.00 3.43 N ATOM 0 H LYS A 97 5.644 3.672 1.603 1.00 0.33 H new ATOM 0 HA LYS A 97 7.294 1.302 1.659 1.00 0.39 H new ATOM 0 HB2 LYS A 97 6.938 3.679 3.505 1.00 0.49 H new ATOM 0 HB3 LYS A 97 8.006 2.341 3.877 1.00 0.49 H new ATOM 0 HG2 LYS A 97 8.203 4.164 1.446 1.00 1.09 H new ATOM 0 HG3 LYS A 97 9.253 4.197 2.848 1.00 1.09 H new ATOM 0 HD2 LYS A 97 10.019 1.891 2.355 1.00 1.89 H new ATOM 0 HD3 LYS A 97 8.929 1.805 0.985 1.00 1.89 H new ATOM 0 HE2 LYS A 97 11.155 2.312 0.174 1.00 2.76 H new ATOM 0 HE3 LYS A 97 10.133 3.712 -0.082 1.00 2.76 H new ATOM 0 HZ1 LYS A 97 12.342 4.245 0.829 1.00 3.43 H new ATOM 0 HZ2 LYS A 97 11.074 4.780 1.825 1.00 3.43 H new ATOM 0 HZ3 LYS A 97 11.956 3.391 2.245 1.00 3.43 H new ATOM 1610 N LEU A 98 4.544 1.411 3.354 1.00 0.30 N ATOM 1611 CA LEU A 98 3.660 0.598 4.184 1.00 0.33 C ATOM 1612 C LEU A 98 3.214 -0.652 3.445 1.00 0.27 C ATOM 1613 O LEU A 98 3.269 -1.748 3.978 1.00 0.35 O ATOM 1614 CB LEU A 98 2.390 1.373 4.550 1.00 0.45 C ATOM 1615 CG LEU A 98 2.553 2.568 5.482 1.00 0.83 C ATOM 1616 CD1 LEU A 98 1.199 3.231 5.694 1.00 1.70 C ATOM 1617 CD2 LEU A 98 3.159 2.136 6.811 1.00 1.29 C ATOM 0 H LEU A 98 4.107 2.237 2.946 1.00 0.30 H new ATOM 0 HA LEU A 98 4.226 0.335 5.078 1.00 0.33 H new ATOM 0 HB2 LEU A 98 1.929 1.724 3.627 1.00 0.45 H new ATOM 0 HB3 LEU A 98 1.689 0.677 5.011 1.00 0.45 H new ATOM 0 HG LEU A 98 3.234 3.287 5.027 1.00 0.83 H new ATOM 0 HD11 LEU A 98 1.313 4.086 6.360 1.00 1.70 H new ATOM 0 HD12 LEU A 98 0.805 3.568 4.735 1.00 1.70 H new ATOM 0 HD13 LEU A 98 0.508 2.514 6.138 1.00 1.70 H new ATOM 0 HD21 LEU A 98 3.267 3.004 7.461 1.00 1.29 H new ATOM 0 HD22 LEU A 98 2.507 1.404 7.288 1.00 1.29 H new ATOM 0 HD23 LEU A 98 4.138 1.690 6.637 1.00 1.29 H new ATOM 1629 N LEU A 99 2.810 -0.457 2.199 1.00 0.21 N ATOM 1630 CA LEU A 99 2.249 -1.505 1.349 1.00 0.22 C ATOM 1631 C LEU A 99 3.249 -2.586 0.957 1.00 0.25 C ATOM 1632 O LEU A 99 2.977 -3.389 0.068 1.00 0.43 O ATOM 1633 CB LEU A 99 1.578 -0.902 0.101 1.00 0.36 C ATOM 1634 CG LEU A 99 2.412 0.059 -0.751 1.00 0.38 C ATOM 1635 CD1 LEU A 99 3.505 -0.671 -1.510 1.00 1.29 C ATOM 1636 CD2 LEU A 99 1.518 0.823 -1.714 1.00 1.30 C ATOM 0 H LEU A 99 2.863 0.451 1.738 1.00 0.21 H new ATOM 0 HA LEU A 99 1.494 -2.004 1.956 1.00 0.22 H new ATOM 0 HB2 LEU A 99 1.254 -1.724 -0.538 1.00 0.36 H new ATOM 0 HB3 LEU A 99 0.680 -0.375 0.423 1.00 0.36 H new ATOM 0 HG LEU A 99 2.894 0.767 -0.077 1.00 0.38 H new ATOM 0 HD11 LEU A 99 4.076 0.044 -2.103 1.00 1.29 H new ATOM 0 HD12 LEU A 99 4.169 -1.168 -0.803 1.00 1.29 H new ATOM 0 HD13 LEU A 99 3.056 -1.414 -2.170 1.00 1.29 H new ATOM 0 HD21 LEU A 99 2.125 1.502 -2.313 1.00 1.30 H new ATOM 0 HD22 LEU A 99 1.005 0.120 -2.370 1.00 1.30 H new ATOM 0 HD23 LEU A 99 0.782 1.396 -1.150 1.00 1.30 H new ATOM 1648 N VAL A 100 4.382 -2.628 1.629 1.00 0.32 N ATOM 1649 CA VAL A 100 5.350 -3.671 1.394 1.00 0.36 C ATOM 1650 C VAL A 100 4.873 -4.939 2.080 1.00 0.37 C ATOM 1651 O VAL A 100 4.738 -4.976 3.303 1.00 0.45 O ATOM 1652 CB VAL A 100 6.745 -3.289 1.917 1.00 0.48 C ATOM 1653 CG1 VAL A 100 7.743 -4.412 1.670 1.00 1.35 C ATOM 1654 CG2 VAL A 100 7.221 -1.990 1.281 1.00 1.29 C ATOM 0 H VAL A 100 4.652 -1.950 2.342 1.00 0.32 H new ATOM 0 HA VAL A 100 5.438 -3.825 0.319 1.00 0.36 H new ATOM 0 HB VAL A 100 6.674 -3.134 2.993 1.00 0.48 H new ATOM 0 HG11 VAL A 100 8.722 -4.118 2.048 1.00 1.35 H new ATOM 0 HG12 VAL A 100 7.411 -5.314 2.184 1.00 1.35 H new ATOM 0 HG13 VAL A 100 7.812 -4.609 0.600 1.00 1.35 H new ATOM 0 HG21 VAL A 100 8.210 -1.738 1.665 1.00 1.29 H new ATOM 0 HG22 VAL A 100 7.272 -2.112 0.199 1.00 1.29 H new ATOM 0 HG23 VAL A 100 6.523 -1.189 1.523 1.00 1.29 H new ATOM 1664 N PRO A 101 4.599 -5.989 1.298 1.00 0.39 N ATOM 1665 CA PRO A 101 4.051 -7.256 1.804 1.00 0.49 C ATOM 1666 C PRO A 101 5.050 -8.072 2.610 1.00 0.65 C ATOM 1667 O PRO A 101 4.853 -9.269 2.823 1.00 0.88 O ATOM 1668 CB PRO A 101 3.669 -7.998 0.530 1.00 0.64 C ATOM 1669 CG PRO A 101 4.616 -7.471 -0.489 1.00 0.60 C ATOM 1670 CD PRO A 101 4.787 -6.023 -0.162 1.00 0.45 C ATOM 0 HA PRO A 101 3.225 -7.084 2.494 1.00 0.49 H new ATOM 0 HB2 PRO A 101 3.771 -9.077 0.650 1.00 0.64 H new ATOM 0 HB3 PRO A 101 2.633 -7.805 0.251 1.00 0.64 H new ATOM 0 HG2 PRO A 101 5.569 -7.998 -0.449 1.00 0.60 H new ATOM 0 HG3 PRO A 101 4.222 -7.602 -1.497 1.00 0.60 H new ATOM 0 HD2 PRO A 101 5.773 -5.658 -0.451 1.00 0.45 H new ATOM 0 HD3 PRO A 101 4.054 -5.403 -0.678 1.00 0.45 H new ATOM 1678 N ALA A 102 6.116 -7.413 3.040 1.00 0.68 N ATOM 1679 CA ALA A 102 7.099 -8.002 3.928 1.00 0.92 C ATOM 1680 C ALA A 102 7.846 -9.147 3.256 1.00 1.62 C ATOM 1681 O ALA A 102 7.663 -9.395 2.061 1.00 2.54 O ATOM 1682 CB ALA A 102 6.430 -8.459 5.216 1.00 1.15 C ATOM 0 H ALA A 102 6.322 -6.449 2.779 1.00 0.68 H new ATOM 0 HA ALA A 102 7.839 -7.240 4.172 1.00 0.92 H new ATOM 0 HB1 ALA A 102 7.176 -8.900 5.877 1.00 1.15 H new ATOM 0 HB2 ALA A 102 5.968 -7.604 5.710 1.00 1.15 H new ATOM 0 HB3 ALA A 102 5.666 -9.201 4.985 1.00 1.15 H new ATOM 1688 N ALA A 103 8.686 -9.828 4.036 1.00 1.90 N ATOM 1689 CA ALA A 103 9.529 -10.914 3.543 1.00 2.74 C ATOM 1690 C ALA A 103 10.526 -10.410 2.518 1.00 3.51 C ATOM 1691 O ALA A 103 10.176 -10.182 1.357 1.00 4.17 O ATOM 1692 CB ALA A 103 8.707 -12.042 2.949 1.00 3.15 C ATOM 0 H ALA A 103 8.800 -9.640 5.032 1.00 1.90 H new ATOM 0 HA ALA A 103 10.073 -11.305 4.403 1.00 2.74 H new ATOM 0 HB1 ALA A 103 9.372 -12.829 2.594 1.00 3.15 H new ATOM 0 HB2 ALA A 103 8.040 -12.446 3.711 1.00 3.15 H new ATOM 0 HB3 ALA A 103 8.117 -11.662 2.115 1.00 3.15 H new ATOM 1698 N GLU A 104 11.765 -10.243 2.960 1.00 3.92 N ATOM 1699 CA GLU A 104 12.837 -9.759 2.111 1.00 5.00 C ATOM 1700 C GLU A 104 12.629 -8.279 1.767 1.00 5.52 C ATOM 1701 O GLU A 104 11.538 -7.725 1.932 1.00 5.64 O ATOM 1702 CB GLU A 104 12.939 -10.624 0.842 1.00 5.60 C ATOM 1703 CG GLU A 104 14.110 -10.279 -0.053 1.00 6.47 C ATOM 1704 CD GLU A 104 15.435 -10.385 0.664 1.00 7.07 C ATOM 1705 OE1 GLU A 104 16.030 -11.484 0.650 1.00 7.55 O ATOM 1706 OE2 GLU A 104 15.888 -9.370 1.232 1.00 7.30 O ATOM 0 H GLU A 104 12.052 -10.440 3.919 1.00 3.92 H new ATOM 0 HA GLU A 104 13.780 -9.840 2.652 1.00 5.00 H new ATOM 0 HB2 GLU A 104 13.017 -11.671 1.135 1.00 5.60 H new ATOM 0 HB3 GLU A 104 12.017 -10.520 0.270 1.00 5.60 H new ATOM 0 HG2 GLU A 104 14.113 -10.945 -0.916 1.00 6.47 H new ATOM 0 HG3 GLU A 104 13.986 -9.265 -0.434 1.00 6.47 H new ATOM 1713 N GLY A 105 13.694 -7.645 1.328 1.00 6.19 N ATOM 1714 CA GLY A 105 13.642 -6.247 0.959 1.00 7.00 C ATOM 1715 C GLY A 105 14.621 -5.931 -0.145 1.00 7.89 C ATOM 1716 O GLY A 105 15.547 -5.138 0.038 1.00 8.70 O ATOM 0 H GLY A 105 14.611 -8.078 1.217 1.00 6.19 H new ATOM 0 HA2 GLY A 105 12.633 -5.992 0.636 1.00 7.00 H new ATOM 0 HA3 GLY A 105 13.863 -5.631 1.831 1.00 7.00 H new ATOM 1720 N GLU A 106 14.427 -6.563 -1.294 1.00 7.96 N ATOM 1721 CA GLU A 106 15.339 -6.397 -2.411 1.00 8.97 C ATOM 1722 C GLU A 106 15.116 -5.080 -3.136 1.00 9.33 C ATOM 1723 O GLU A 106 14.315 -4.986 -4.067 1.00 9.43 O ATOM 1724 CB GLU A 106 15.223 -7.552 -3.393 1.00 9.46 C ATOM 1725 CG GLU A 106 15.729 -8.870 -2.845 1.00 9.55 C ATOM 1726 CD GLU A 106 15.712 -9.962 -3.887 1.00 10.47 C ATOM 1727 OE1 GLU A 106 16.160 -9.716 -5.025 1.00 10.82 O ATOM 1728 OE2 GLU A 106 15.248 -11.076 -3.569 1.00 10.99 O ATOM 0 H GLU A 106 13.646 -7.194 -1.475 1.00 7.96 H new ATOM 0 HA GLU A 106 16.346 -6.388 -1.993 1.00 8.97 H new ATOM 0 HB2 GLU A 106 14.179 -7.666 -3.684 1.00 9.46 H new ATOM 0 HB3 GLU A 106 15.781 -7.306 -4.297 1.00 9.46 H new ATOM 0 HG2 GLU A 106 16.745 -8.741 -2.472 1.00 9.55 H new ATOM 0 HG3 GLU A 106 15.114 -9.169 -1.997 1.00 9.55 H new ATOM 1735 N ASP A 107 15.822 -4.069 -2.681 1.00 9.76 N ATOM 1736 CA ASP A 107 15.849 -2.778 -3.347 1.00 10.43 C ATOM 1737 C ASP A 107 17.233 -2.194 -3.234 1.00 10.48 C ATOM 1738 O ASP A 107 17.901 -1.931 -4.233 1.00 11.15 O ATOM 1739 CB ASP A 107 14.821 -1.818 -2.746 1.00 10.67 C ATOM 1740 CG ASP A 107 14.787 -0.492 -3.483 1.00 11.41 C ATOM 1741 OD1 ASP A 107 14.056 -0.380 -4.486 1.00 11.57 O ATOM 1742 OD2 ASP A 107 15.488 0.450 -3.055 1.00 11.98 O ATOM 0 H ASP A 107 16.395 -4.115 -1.839 1.00 9.76 H new ATOM 0 HA ASP A 107 15.591 -2.922 -4.396 1.00 10.43 H new ATOM 0 HB2 ASP A 107 13.833 -2.277 -2.779 1.00 10.67 H new ATOM 0 HB3 ASP A 107 15.057 -1.644 -1.696 1.00 10.67 H new ATOM 1747 N SER A 108 17.671 -2.045 -2.008 1.00 9.96 N ATOM 1748 CA SER A 108 18.973 -1.507 -1.726 1.00 10.24 C ATOM 1749 C SER A 108 20.047 -2.583 -1.858 1.00 10.41 C ATOM 1750 O SER A 108 21.156 -2.317 -2.313 1.00 11.07 O ATOM 1751 CB SER A 108 18.942 -0.913 -0.330 1.00 9.88 C ATOM 1752 OG SER A 108 18.479 -1.864 0.615 1.00 10.00 O ATOM 0 H SER A 108 17.132 -2.294 -1.179 1.00 9.96 H new ATOM 0 HA SER A 108 19.225 -0.729 -2.447 1.00 10.24 H new ATOM 0 HB2 SER A 108 19.940 -0.575 -0.052 1.00 9.88 H new ATOM 0 HB3 SER A 108 18.294 -0.037 -0.318 1.00 9.88 H new ATOM 0 HG SER A 108 18.469 -1.460 1.508 1.00 10.00 H new ATOM 1758 N LEU A 109 19.687 -3.803 -1.489 1.00 10.02 N ATOM 1759 CA LEU A 109 20.601 -4.939 -1.560 1.00 10.41 C ATOM 1760 C LEU A 109 21.078 -5.175 -2.992 1.00 11.26 C ATOM 1761 O LEU A 109 22.264 -5.391 -3.235 1.00 11.94 O ATOM 1762 CB LEU A 109 19.914 -6.202 -1.030 1.00 10.12 C ATOM 1763 CG LEU A 109 19.437 -6.129 0.421 1.00 9.48 C ATOM 1764 CD1 LEU A 109 18.694 -7.401 0.797 1.00 9.47 C ATOM 1765 CD2 LEU A 109 20.613 -5.902 1.362 1.00 9.65 C ATOM 0 H LEU A 109 18.760 -4.035 -1.134 1.00 10.02 H new ATOM 0 HA LEU A 109 21.469 -4.711 -0.942 1.00 10.41 H new ATOM 0 HB2 LEU A 109 19.057 -6.423 -1.666 1.00 10.12 H new ATOM 0 HB3 LEU A 109 20.606 -7.039 -1.126 1.00 10.12 H new ATOM 0 HG LEU A 109 18.754 -5.285 0.517 1.00 9.48 H new ATOM 0 HD11 LEU A 109 18.360 -7.335 1.833 1.00 9.47 H new ATOM 0 HD12 LEU A 109 17.830 -7.524 0.144 1.00 9.47 H new ATOM 0 HD13 LEU A 109 19.359 -8.258 0.684 1.00 9.47 H new ATOM 0 HD21 LEU A 109 20.253 -5.853 2.390 1.00 9.65 H new ATOM 0 HD22 LEU A 109 21.321 -6.725 1.265 1.00 9.65 H new ATOM 0 HD23 LEU A 109 21.108 -4.965 1.106 1.00 9.65 H new ATOM 1777 N LYS A 110 20.147 -5.135 -3.936 1.00 11.40 N ATOM 1778 CA LYS A 110 20.467 -5.396 -5.334 1.00 12.34 C ATOM 1779 C LYS A 110 20.925 -4.129 -6.063 1.00 12.93 C ATOM 1780 O LYS A 110 22.077 -4.034 -6.486 1.00 13.70 O ATOM 1781 CB LYS A 110 19.269 -6.029 -6.049 1.00 12.53 C ATOM 1782 CG LYS A 110 18.882 -7.395 -5.493 1.00 12.99 C ATOM 1783 CD LYS A 110 20.048 -8.373 -5.567 1.00 13.18 C ATOM 1784 CE LYS A 110 19.714 -9.712 -4.921 1.00 13.26 C ATOM 1785 NZ LYS A 110 18.626 -10.431 -5.638 1.00 13.83 N ATOM 0 H LYS A 110 19.165 -4.925 -3.760 1.00 11.40 H new ATOM 0 HA LYS A 110 21.300 -6.099 -5.353 1.00 12.34 H new ATOM 0 HB2 LYS A 110 18.413 -5.358 -5.971 1.00 12.53 H new ATOM 0 HB3 LYS A 110 19.500 -6.129 -7.109 1.00 12.53 H new ATOM 0 HG2 LYS A 110 18.558 -7.290 -4.458 1.00 12.99 H new ATOM 0 HG3 LYS A 110 18.036 -7.792 -6.054 1.00 12.99 H new ATOM 0 HD2 LYS A 110 20.322 -8.532 -6.610 1.00 13.18 H new ATOM 0 HD3 LYS A 110 20.917 -7.939 -5.072 1.00 13.18 H new ATOM 0 HE2 LYS A 110 20.607 -10.336 -4.902 1.00 13.26 H new ATOM 0 HE3 LYS A 110 19.417 -9.549 -3.885 1.00 13.26 H new ATOM 0 HZ1 LYS A 110 18.527 -11.390 -5.247 1.00 13.83 H new ATOM 0 HZ2 LYS A 110 17.731 -9.914 -5.519 1.00 13.83 H new ATOM 0 HZ3 LYS A 110 18.858 -10.492 -6.650 1.00 13.83 H new ATOM 1799 N LYS A 111 20.030 -3.150 -6.182 1.00 12.70 N ATOM 1800 CA LYS A 111 20.290 -1.972 -7.014 1.00 13.45 C ATOM 1801 C LYS A 111 21.416 -1.104 -6.463 1.00 13.69 C ATOM 1802 O LYS A 111 22.252 -0.611 -7.222 1.00 14.58 O ATOM 1803 CB LYS A 111 19.031 -1.118 -7.176 1.00 13.35 C ATOM 1804 CG LYS A 111 17.948 -1.755 -8.032 1.00 13.65 C ATOM 1805 CD LYS A 111 16.888 -0.734 -8.420 1.00 14.12 C ATOM 1806 CE LYS A 111 16.066 -0.281 -7.225 1.00 14.42 C ATOM 1807 NZ LYS A 111 15.022 -1.275 -6.855 1.00 14.52 N ATOM 0 H LYS A 111 19.122 -3.147 -5.716 1.00 12.70 H new ATOM 0 HA LYS A 111 20.599 -2.354 -7.987 1.00 13.45 H new ATOM 0 HB2 LYS A 111 18.620 -0.907 -6.189 1.00 13.35 H new ATOM 0 HB3 LYS A 111 19.310 -0.161 -7.617 1.00 13.35 H new ATOM 0 HG2 LYS A 111 18.394 -2.181 -8.931 1.00 13.65 H new ATOM 0 HG3 LYS A 111 17.484 -2.576 -7.486 1.00 13.65 H new ATOM 0 HD2 LYS A 111 17.369 0.131 -8.878 1.00 14.12 H new ATOM 0 HD3 LYS A 111 16.227 -1.166 -9.171 1.00 14.12 H new ATOM 0 HE2 LYS A 111 16.726 -0.115 -6.374 1.00 14.42 H new ATOM 0 HE3 LYS A 111 15.592 0.674 -7.452 1.00 14.42 H new ATOM 0 HZ1 LYS A 111 14.420 -0.883 -6.103 1.00 14.52 H new ATOM 0 HZ2 LYS A 111 14.438 -1.491 -7.688 1.00 14.52 H new ATOM 0 HZ3 LYS A 111 15.477 -2.146 -6.515 1.00 14.52 H new ATOM 1821 N MET A 112 21.446 -0.918 -5.151 1.00 13.03 N ATOM 1822 CA MET A 112 22.417 -0.014 -4.546 1.00 13.43 C ATOM 1823 C MET A 112 23.807 -0.632 -4.504 1.00 13.93 C ATOM 1824 O MET A 112 24.800 0.081 -4.408 1.00 14.71 O ATOM 1825 CB MET A 112 21.972 0.426 -3.147 1.00 12.78 C ATOM 1826 CG MET A 112 20.819 1.419 -3.172 1.00 12.65 C ATOM 1827 SD MET A 112 20.273 1.910 -1.524 1.00 12.08 S ATOM 1828 CE MET A 112 21.792 2.578 -0.846 1.00 12.60 C ATOM 0 H MET A 112 20.817 -1.375 -4.490 1.00 13.03 H new ATOM 0 HA MET A 112 22.468 0.873 -5.177 1.00 13.43 H new ATOM 0 HB2 MET A 112 21.675 -0.452 -2.574 1.00 12.78 H new ATOM 0 HB3 MET A 112 22.819 0.874 -2.627 1.00 12.78 H new ATOM 0 HG2 MET A 112 21.123 2.306 -3.727 1.00 12.65 H new ATOM 0 HG3 MET A 112 19.980 0.979 -3.710 1.00 12.65 H new ATOM 0 HE1 MET A 112 21.558 3.397 -0.166 1.00 12.60 H new ATOM 0 HE2 MET A 112 22.323 1.796 -0.303 1.00 12.60 H new ATOM 0 HE3 MET A 112 22.420 2.948 -1.656 1.00 12.60 H new ATOM 1838 N LYS A 113 23.882 -1.953 -4.585 1.00 13.65 N ATOM 1839 CA LYS A 113 25.172 -2.626 -4.637 1.00 14.28 C ATOM 1840 C LYS A 113 25.809 -2.426 -6.012 1.00 15.23 C ATOM 1841 O LYS A 113 27.018 -2.275 -6.134 1.00 16.03 O ATOM 1842 CB LYS A 113 24.999 -4.122 -4.346 1.00 13.94 C ATOM 1843 CG LYS A 113 26.088 -4.752 -3.470 1.00 14.60 C ATOM 1844 CD LYS A 113 27.375 -5.072 -4.233 1.00 15.23 C ATOM 1845 CE LYS A 113 28.342 -3.896 -4.259 1.00 16.15 C ATOM 1846 NZ LYS A 113 29.681 -4.286 -4.775 1.00 16.72 N ATOM 0 H LYS A 113 23.074 -2.575 -4.616 1.00 13.65 H new ATOM 0 HA LYS A 113 25.827 -2.196 -3.879 1.00 14.28 H new ATOM 0 HB2 LYS A 113 24.035 -4.271 -3.860 1.00 13.94 H new ATOM 0 HB3 LYS A 113 24.965 -4.658 -5.295 1.00 13.94 H new ATOM 0 HG2 LYS A 113 26.321 -4.074 -2.649 1.00 14.60 H new ATOM 0 HG3 LYS A 113 25.701 -5.669 -3.026 1.00 14.60 H new ATOM 0 HD2 LYS A 113 27.864 -5.930 -3.772 1.00 15.23 H new ATOM 0 HD3 LYS A 113 27.127 -5.357 -5.255 1.00 15.23 H new ATOM 0 HE2 LYS A 113 27.931 -3.102 -4.882 1.00 16.15 H new ATOM 0 HE3 LYS A 113 28.446 -3.490 -3.253 1.00 16.15 H new ATOM 0 HZ1 LYS A 113 30.308 -3.456 -4.776 1.00 16.72 H new ATOM 0 HZ2 LYS A 113 30.086 -5.025 -4.166 1.00 16.72 H new ATOM 0 HZ3 LYS A 113 29.587 -4.650 -5.745 1.00 16.72 H new ATOM 1860 N LEU A 114 24.995 -2.405 -7.052 1.00 15.27 N ATOM 1861 CA LEU A 114 25.533 -2.321 -8.394 1.00 16.25 C ATOM 1862 C LEU A 114 25.564 -0.883 -8.908 1.00 16.89 C ATOM 1863 O LEU A 114 26.631 -0.308 -9.119 1.00 17.72 O ATOM 1864 CB LEU A 114 24.730 -3.210 -9.348 1.00 16.24 C ATOM 1865 CG LEU A 114 24.742 -4.704 -9.012 1.00 16.63 C ATOM 1866 CD1 LEU A 114 23.890 -5.477 -10.005 1.00 17.08 C ATOM 1867 CD2 LEU A 114 26.169 -5.239 -9.000 1.00 16.95 C ATOM 0 H LEU A 114 23.977 -2.444 -6.995 1.00 15.27 H new ATOM 0 HA LEU A 114 26.562 -2.677 -8.355 1.00 16.25 H new ATOM 0 HB2 LEU A 114 23.696 -2.864 -9.358 1.00 16.24 H new ATOM 0 HB3 LEU A 114 25.120 -3.078 -10.357 1.00 16.24 H new ATOM 0 HG LEU A 114 24.319 -4.837 -8.016 1.00 16.63 H new ATOM 0 HD11 LEU A 114 23.909 -6.537 -9.753 1.00 17.08 H new ATOM 0 HD12 LEU A 114 22.864 -5.113 -9.965 1.00 17.08 H new ATOM 0 HD13 LEU A 114 24.286 -5.336 -11.011 1.00 17.08 H new ATOM 0 HD21 LEU A 114 26.157 -6.302 -8.759 1.00 16.95 H new ATOM 0 HD22 LEU A 114 26.620 -5.094 -9.982 1.00 16.95 H new ATOM 0 HD23 LEU A 114 26.752 -4.704 -8.250 1.00 16.95 H new ATOM 1879 N MET A 115 24.389 -0.296 -9.082 1.00 16.60 N ATOM 1880 CA MET A 115 24.270 1.005 -9.735 1.00 17.37 C ATOM 1881 C MET A 115 24.540 2.147 -8.763 1.00 17.30 C ATOM 1882 O MET A 115 25.374 3.016 -9.025 1.00 18.16 O ATOM 1883 CB MET A 115 22.870 1.158 -10.333 1.00 17.40 C ATOM 1884 CG MET A 115 22.653 2.467 -11.081 1.00 18.36 C ATOM 1885 SD MET A 115 20.973 2.637 -11.722 1.00 18.37 S ATOM 1886 CE MET A 115 20.026 2.691 -10.201 1.00 17.17 C ATOM 0 H MET A 115 23.502 -0.698 -8.781 1.00 16.60 H new ATOM 0 HA MET A 115 25.018 1.052 -10.526 1.00 17.37 H new ATOM 0 HB2 MET A 115 22.685 0.328 -11.014 1.00 17.40 H new ATOM 0 HB3 MET A 115 22.134 1.083 -9.532 1.00 17.40 H new ATOM 0 HG2 MET A 115 22.868 3.301 -10.414 1.00 18.36 H new ATOM 0 HG3 MET A 115 23.360 2.529 -11.908 1.00 18.36 H new ATOM 0 HE1 MET A 115 19.435 1.780 -10.108 1.00 17.17 H new ATOM 0 HE2 MET A 115 20.705 2.771 -9.352 1.00 17.17 H new ATOM 0 HE3 MET A 115 19.362 3.555 -10.217 1.00 17.17 H new ATOM 1896 N GLU A 116 23.848 2.122 -7.632 1.00 16.38 N ATOM 1897 CA GLU A 116 23.915 3.207 -6.654 1.00 16.41 C ATOM 1898 C GLU A 116 25.271 3.242 -5.952 1.00 16.77 C ATOM 1899 O GLU A 116 25.604 4.207 -5.264 1.00 17.19 O ATOM 1900 CB GLU A 116 22.800 3.048 -5.623 1.00 15.41 C ATOM 1901 CG GLU A 116 21.413 2.907 -6.237 1.00 15.12 C ATOM 1902 CD GLU A 116 20.870 4.210 -6.777 1.00 15.91 C ATOM 1903 OE1 GLU A 116 21.296 4.634 -7.868 1.00 16.27 O ATOM 1904 OE2 GLU A 116 20.003 4.812 -6.111 1.00 16.29 O ATOM 0 H GLU A 116 23.228 1.357 -7.365 1.00 16.38 H new ATOM 0 HA GLU A 116 23.787 4.149 -7.187 1.00 16.41 H new ATOM 0 HB2 GLU A 116 23.007 2.171 -5.010 1.00 15.41 H new ATOM 0 HB3 GLU A 116 22.807 3.911 -4.958 1.00 15.41 H new ATOM 0 HG2 GLU A 116 21.451 2.174 -7.043 1.00 15.12 H new ATOM 0 HG3 GLU A 116 20.727 2.518 -5.485 1.00 15.12 H new ATOM 1911 N LEU A 117 26.037 2.173 -6.131 1.00 16.72 N ATOM 1912 CA LEU A 117 27.359 2.036 -5.526 1.00 17.21 C ATOM 1913 C LEU A 117 28.339 3.026 -6.159 1.00 18.39 C ATOM 1914 O LEU A 117 29.375 3.350 -5.571 1.00 18.98 O ATOM 1915 CB LEU A 117 27.846 0.588 -5.713 1.00 17.03 C ATOM 1916 CG LEU A 117 28.936 0.085 -4.751 1.00 17.18 C ATOM 1917 CD1 LEU A 117 30.321 0.527 -5.203 1.00 18.26 C ATOM 1918 CD2 LEU A 117 28.658 0.564 -3.334 1.00 16.60 C ATOM 0 H LEU A 117 25.760 1.374 -6.701 1.00 16.72 H new ATOM 0 HA LEU A 117 27.301 2.260 -4.461 1.00 17.21 H new ATOM 0 HB2 LEU A 117 26.984 -0.073 -5.623 1.00 17.03 H new ATOM 0 HB3 LEU A 117 28.221 0.486 -6.732 1.00 17.03 H new ATOM 0 HG LEU A 117 28.914 -1.005 -4.762 1.00 17.18 H new ATOM 0 HD11 LEU A 117 31.068 0.155 -4.502 1.00 18.26 H new ATOM 0 HD12 LEU A 117 30.525 0.127 -6.196 1.00 18.26 H new ATOM 0 HD13 LEU A 117 30.363 1.616 -5.235 1.00 18.26 H new ATOM 0 HD21 LEU A 117 29.439 0.199 -2.667 1.00 16.60 H new ATOM 0 HD22 LEU A 117 28.644 1.654 -3.314 1.00 16.60 H new ATOM 0 HD23 LEU A 117 27.692 0.183 -3.004 1.00 16.60 H new ATOM 1930 N ALA A 118 27.993 3.500 -7.360 1.00 18.81 N ATOM 1931 CA ALA A 118 28.824 4.446 -8.100 1.00 19.94 C ATOM 1932 C ALA A 118 30.118 3.773 -8.536 1.00 20.25 C ATOM 1933 O ALA A 118 31.206 4.341 -8.413 1.00 20.88 O ATOM 1934 CB ALA A 118 29.102 5.701 -7.274 1.00 20.42 C ATOM 0 H ALA A 118 27.133 3.238 -7.842 1.00 18.81 H new ATOM 0 HA ALA A 118 28.282 4.761 -8.992 1.00 19.94 H new ATOM 0 HB1 ALA A 118 29.723 6.386 -7.851 1.00 20.42 H new ATOM 0 HB2 ALA A 118 28.160 6.188 -7.024 1.00 20.42 H new ATOM 0 HB3 ALA A 118 29.622 5.425 -6.357 1.00 20.42 H new ATOM 1940 N ILE A 119 29.969 2.548 -9.041 1.00 19.90 N ATOM 1941 CA ILE A 119 31.084 1.754 -9.553 1.00 20.25 C ATOM 1942 C ILE A 119 31.996 2.576 -10.460 1.00 21.12 C ATOM 1943 O ILE A 119 33.125 2.908 -10.093 1.00 21.13 O ATOM 1944 CB ILE A 119 30.579 0.518 -10.327 1.00 20.40 C ATOM 1945 CG1 ILE A 119 29.272 0.829 -11.074 1.00 20.16 C ATOM 1946 CG2 ILE A 119 30.395 -0.658 -9.380 1.00 20.03 C ATOM 1947 CD1 ILE A 119 28.779 -0.306 -11.948 1.00 20.59 C ATOM 0 H ILE A 119 29.067 2.077 -9.106 1.00 19.90 H new ATOM 0 HA ILE A 119 31.657 1.427 -8.686 1.00 20.25 H new ATOM 0 HB ILE A 119 31.329 0.250 -11.071 1.00 20.40 H new ATOM 0 HG12 ILE A 119 28.499 1.076 -10.346 1.00 20.16 H new ATOM 0 HG13 ILE A 119 29.421 1.713 -11.694 1.00 20.16 H new ATOM 0 HG21 ILE A 119 30.038 -1.523 -9.939 1.00 20.03 H new ATOM 0 HG22 ILE A 119 31.348 -0.898 -8.909 1.00 20.03 H new ATOM 0 HG23 ILE A 119 29.666 -0.397 -8.613 1.00 20.03 H new ATOM 0 HD11 ILE A 119 27.853 -0.010 -12.441 1.00 20.59 H new ATOM 0 HD12 ILE A 119 29.532 -0.539 -12.700 1.00 20.59 H new ATOM 0 HD13 ILE A 119 28.596 -1.187 -11.332 1.00 20.59 H new ATOM 1959 N LEU A 120 31.506 2.895 -11.648 1.00 21.92 N ATOM 1960 CA LEU A 120 32.216 3.794 -12.544 1.00 22.85 C ATOM 1961 C LEU A 120 31.949 5.239 -12.155 1.00 23.12 C ATOM 1962 O LEU A 120 31.052 5.891 -12.688 1.00 23.32 O ATOM 1963 CB LEU A 120 31.834 3.552 -14.009 1.00 23.66 C ATOM 1964 CG LEU A 120 32.609 2.433 -14.713 1.00 23.95 C ATOM 1965 CD1 LEU A 120 34.102 2.708 -14.645 1.00 23.98 C ATOM 1966 CD2 LEU A 120 32.280 1.077 -14.105 1.00 23.52 C ATOM 0 H LEU A 120 30.620 2.545 -12.014 1.00 21.92 H new ATOM 0 HA LEU A 120 33.282 3.590 -12.446 1.00 22.85 H new ATOM 0 HB2 LEU A 120 30.770 3.319 -14.056 1.00 23.66 H new ATOM 0 HB3 LEU A 120 31.983 4.479 -14.564 1.00 23.66 H new ATOM 0 HG LEU A 120 32.307 2.410 -15.760 1.00 23.95 H new ATOM 0 HD11 LEU A 120 34.643 1.907 -15.148 1.00 23.98 H new ATOM 0 HD12 LEU A 120 34.320 3.657 -15.136 1.00 23.98 H new ATOM 0 HD13 LEU A 120 34.416 2.758 -13.602 1.00 23.98 H new ATOM 0 HD21 LEU A 120 32.843 0.300 -14.622 1.00 23.52 H new ATOM 0 HD22 LEU A 120 32.548 1.077 -13.049 1.00 23.52 H new ATOM 0 HD23 LEU A 120 31.213 0.881 -14.208 1.00 23.52 H new ATOM 1978 N ASN A 121 32.719 5.711 -11.191 1.00 23.21 N ATOM 1979 CA ASN A 121 32.594 7.074 -10.689 1.00 23.56 C ATOM 1980 C ASN A 121 33.462 8.034 -11.495 1.00 24.31 C ATOM 1981 O ASN A 121 33.153 9.218 -11.605 1.00 24.76 O ATOM 1982 CB ASN A 121 32.987 7.132 -9.206 1.00 23.18 C ATOM 1983 CG ASN A 121 34.346 6.509 -8.941 1.00 23.09 C ATOM 1984 OD1 ASN A 121 35.376 7.172 -9.028 1.00 23.47 O ATOM 1985 ND2 ASN A 121 34.355 5.226 -8.612 1.00 22.69 N ATOM 0 H ASN A 121 33.448 5.164 -10.733 1.00 23.21 H new ATOM 0 HA ASN A 121 31.553 7.380 -10.795 1.00 23.56 H new ATOM 0 HB2 ASN A 121 32.996 8.171 -8.876 1.00 23.18 H new ATOM 0 HB3 ASN A 121 32.232 6.616 -8.613 1.00 23.18 H new ATOM 0 HD21 ASN A 121 35.239 4.755 -8.420 1.00 22.69 H new ATOM 0 HD22 ASN A 121 33.478 4.709 -8.550 1.00 22.69 H new ATOM 1992 N GLY A 122 34.540 7.518 -12.064 1.00 24.55 N ATOM 1993 CA GLY A 122 35.451 8.356 -12.819 1.00 25.33 C ATOM 1994 C GLY A 122 36.882 8.205 -12.353 1.00 25.47 C ATOM 1995 O GLY A 122 37.787 8.003 -13.163 1.00 26.12 O ATOM 0 H GLY A 122 34.802 6.533 -12.017 1.00 24.55 H new ATOM 0 HA2 GLY A 122 35.386 8.100 -13.877 1.00 25.33 H new ATOM 0 HA3 GLY A 122 35.147 9.398 -12.724 1.00 25.33 H new ATOM 1999 N THR A 123 37.078 8.294 -11.041 1.00 24.93 N ATOM 2000 CA THR A 123 38.393 8.124 -10.439 1.00 25.12 C ATOM 2001 C THR A 123 38.979 6.772 -10.831 1.00 25.36 C ATOM 2002 O THR A 123 40.126 6.672 -11.272 1.00 25.90 O ATOM 2003 CB THR A 123 38.300 8.216 -8.901 1.00 24.51 C ATOM 2004 OG1 THR A 123 37.682 9.453 -8.518 1.00 24.32 O ATOM 2005 CG2 THR A 123 39.673 8.108 -8.258 1.00 24.86 C ATOM 0 H THR A 123 36.334 8.485 -10.370 1.00 24.93 H new ATOM 0 HA THR A 123 39.042 8.920 -10.804 1.00 25.12 H new ATOM 0 HB THR A 123 37.692 7.382 -8.551 1.00 24.51 H new ATOM 0 HG1 THR A 123 37.626 9.502 -7.541 1.00 24.32 H new ATOM 0 HG21 THR A 123 39.574 8.176 -7.175 1.00 24.86 H new ATOM 0 HG22 THR A 123 40.124 7.151 -8.521 1.00 24.86 H new ATOM 0 HG23 THR A 123 40.307 8.919 -8.616 1.00 24.86 H new ATOM 2013 N TYR A 124 38.164 5.738 -10.683 1.00 25.05 N ATOM 2014 CA TYR A 124 38.565 4.394 -11.052 1.00 25.37 C ATOM 2015 C TYR A 124 37.941 4.020 -12.390 1.00 25.65 C ATOM 2016 O TYR A 124 36.862 3.431 -12.439 1.00 25.59 O ATOM 2017 CB TYR A 124 38.137 3.392 -9.974 1.00 25.19 C ATOM 2018 CG TYR A 124 38.481 3.832 -8.566 1.00 25.19 C ATOM 2019 CD1 TYR A 124 39.768 3.671 -8.067 1.00 25.38 C ATOM 2020 CD2 TYR A 124 37.524 4.400 -7.734 1.00 25.09 C ATOM 2021 CE1 TYR A 124 40.092 4.062 -6.783 1.00 25.49 C ATOM 2022 CE2 TYR A 124 37.841 4.795 -6.447 1.00 25.20 C ATOM 2023 CZ TYR A 124 39.099 4.654 -5.980 1.00 25.41 C ATOM 2024 OH TYR A 124 39.449 5.014 -4.698 1.00 25.62 O ATOM 0 H TYR A 124 37.218 5.808 -10.308 1.00 25.05 H new ATOM 0 HA TYR A 124 39.651 4.363 -11.141 1.00 25.37 H new ATOM 0 HB2 TYR A 124 37.061 3.234 -10.044 1.00 25.19 H new ATOM 0 HB3 TYR A 124 38.614 2.432 -10.172 1.00 25.19 H new ATOM 0 HD1 TYR A 124 40.529 3.232 -8.695 1.00 25.38 H new ATOM 0 HD2 TYR A 124 36.516 4.535 -8.098 1.00 25.09 H new ATOM 0 HE1 TYR A 124 41.092 3.916 -6.401 1.00 25.49 H new ATOM 0 HE2 TYR A 124 37.077 5.219 -5.812 1.00 25.20 H new ATOM 0 HH TYR A 124 38.675 5.413 -4.247 1.00 25.62 H new ATOM 2034 N ARG A 125 38.602 4.401 -13.474 1.00 26.04 N ATOM 2035 CA ARG A 125 38.144 4.041 -14.803 1.00 26.48 C ATOM 2036 C ARG A 125 38.503 2.588 -15.067 1.00 26.87 C ATOM 2037 O ARG A 125 37.897 1.919 -15.900 1.00 27.16 O ATOM 2038 CB ARG A 125 38.765 4.958 -15.863 1.00 27.04 C ATOM 2039 CG ARG A 125 38.192 4.745 -17.256 1.00 27.29 C ATOM 2040 CD ARG A 125 36.694 5.018 -17.292 1.00 27.33 C ATOM 2041 NE ARG A 125 36.096 4.626 -18.566 1.00 27.77 N ATOM 2042 CZ ARG A 125 34.794 4.396 -18.740 1.00 27.96 C ATOM 2043 NH1 ARG A 125 33.941 4.606 -17.743 1.00 27.74 N ATOM 2044 NH2 ARG A 125 34.342 3.984 -19.920 1.00 28.45 N ATOM 0 H ARG A 125 39.456 4.959 -13.457 1.00 26.04 H new ATOM 0 HA ARG A 125 37.063 4.165 -14.860 1.00 26.48 H new ATOM 0 HB2 ARG A 125 38.611 5.996 -15.570 1.00 27.04 H new ATOM 0 HB3 ARG A 125 39.842 4.791 -15.892 1.00 27.04 H new ATOM 0 HG2 ARG A 125 38.699 5.401 -17.963 1.00 27.29 H new ATOM 0 HG3 ARG A 125 38.384 3.721 -17.577 1.00 27.29 H new ATOM 0 HD2 ARG A 125 36.207 4.476 -16.481 1.00 27.33 H new ATOM 0 HD3 ARG A 125 36.515 6.079 -17.119 1.00 27.33 H new ATOM 0 HE ARG A 125 36.712 4.522 -19.372 1.00 27.77 H new ATOM 0 HH11 ARG A 125 34.282 4.944 -16.843 1.00 27.74 H new ATOM 0 HH12 ARG A 125 32.945 4.430 -17.878 1.00 27.74 H new ATOM 0 HH21 ARG A 125 34.991 3.843 -20.694 1.00 28.45 H new ATOM 0 HH22 ARG A 125 33.346 3.808 -20.052 1.00 28.45 H new ATOM 2058 N ASP A 126 39.492 2.116 -14.316 1.00 26.97 N ATOM 2059 CA ASP A 126 39.898 0.712 -14.315 1.00 27.44 C ATOM 2060 C ASP A 126 38.695 -0.193 -14.042 1.00 27.02 C ATOM 2061 O ASP A 126 38.619 -1.321 -14.538 1.00 27.36 O ATOM 2062 CB ASP A 126 40.971 0.513 -13.237 1.00 27.72 C ATOM 2063 CG ASP A 126 41.501 -0.905 -13.156 1.00 27.85 C ATOM 2064 OD1 ASP A 126 40.856 -1.744 -12.495 1.00 27.59 O ATOM 2065 OD2 ASP A 126 42.544 -1.197 -13.778 1.00 28.27 O ATOM 0 H ASP A 126 40.040 2.701 -13.685 1.00 26.97 H new ATOM 0 HA ASP A 126 40.302 0.446 -15.292 1.00 27.44 H new ATOM 0 HB2 ASP A 126 41.802 1.191 -13.435 1.00 27.72 H new ATOM 0 HB3 ASP A 126 40.556 0.792 -12.268 1.00 27.72 H new ATOM 2070 N ALA A 127 37.739 0.334 -13.280 1.00 26.35 N ATOM 2071 CA ALA A 127 36.541 -0.402 -12.899 1.00 25.95 C ATOM 2072 C ALA A 127 35.642 -0.696 -14.098 1.00 25.77 C ATOM 2073 O ALA A 127 34.730 -1.519 -14.007 1.00 25.47 O ATOM 2074 CB ALA A 127 35.766 0.371 -11.844 1.00 25.25 C ATOM 0 H ALA A 127 37.775 1.284 -12.910 1.00 26.35 H new ATOM 0 HA ALA A 127 36.863 -1.359 -12.488 1.00 25.95 H new ATOM 0 HB1 ALA A 127 34.872 -0.188 -11.566 1.00 25.25 H new ATOM 0 HB2 ALA A 127 36.393 0.514 -10.964 1.00 25.25 H new ATOM 0 HB3 ALA A 127 35.476 1.343 -12.244 1.00 25.25 H new ATOM 2080 N ASN A 128 35.894 -0.019 -15.214 1.00 26.04 N ATOM 2081 CA ASN A 128 35.133 -0.257 -16.438 1.00 26.08 C ATOM 2082 C ASN A 128 35.364 -1.684 -16.911 1.00 26.74 C ATOM 2083 O ASN A 128 34.439 -2.381 -17.327 1.00 26.73 O ATOM 2084 CB ASN A 128 35.544 0.726 -17.539 1.00 26.34 C ATOM 2085 CG ASN A 128 34.743 0.542 -18.815 1.00 26.63 C ATOM 2086 OD1 ASN A 128 33.570 0.164 -18.780 1.00 26.61 O ATOM 2087 ND2 ASN A 128 35.366 0.810 -19.952 1.00 27.01 N ATOM 0 H ASN A 128 36.616 0.696 -15.297 1.00 26.04 H new ATOM 0 HA ASN A 128 34.075 -0.107 -16.223 1.00 26.08 H new ATOM 0 HB2 ASN A 128 35.414 1.746 -17.177 1.00 26.34 H new ATOM 0 HB3 ASN A 128 36.604 0.598 -17.758 1.00 26.34 H new ATOM 0 HD21 ASN A 128 34.874 0.706 -20.840 1.00 27.01 H new ATOM 0 HD22 ASN A 128 36.337 1.121 -19.940 1.00 27.01 H new ATOM 2094 N LEU A 129 36.613 -2.112 -16.827 1.00 27.38 N ATOM 2095 CA LEU A 129 36.971 -3.478 -17.154 1.00 28.13 C ATOM 2096 C LEU A 129 36.839 -4.348 -15.914 1.00 28.06 C ATOM 2097 O LEU A 129 36.253 -5.430 -15.970 1.00 28.19 O ATOM 2098 CB LEU A 129 38.399 -3.567 -17.712 1.00 28.95 C ATOM 2099 CG LEU A 129 38.596 -3.050 -19.141 1.00 29.65 C ATOM 2100 CD1 LEU A 129 38.425 -1.539 -19.215 1.00 30.01 C ATOM 2101 CD2 LEU A 129 39.962 -3.457 -19.667 1.00 30.08 C ATOM 0 H LEU A 129 37.397 -1.529 -16.534 1.00 27.38 H new ATOM 0 HA LEU A 129 36.291 -3.834 -17.928 1.00 28.13 H new ATOM 0 HB2 LEU A 129 39.062 -3.009 -17.050 1.00 28.95 H new ATOM 0 HB3 LEU A 129 38.717 -4.609 -17.677 1.00 28.95 H new ATOM 0 HG LEU A 129 37.828 -3.502 -19.769 1.00 29.65 H new ATOM 0 HD11 LEU A 129 38.571 -1.206 -20.243 1.00 30.01 H new ATOM 0 HD12 LEU A 129 37.421 -1.270 -18.886 1.00 30.01 H new ATOM 0 HD13 LEU A 129 39.160 -1.058 -18.570 1.00 30.01 H new ATOM 0 HD21 LEU A 129 40.087 -3.083 -20.683 1.00 30.08 H new ATOM 0 HD22 LEU A 129 40.738 -3.037 -19.027 1.00 30.08 H new ATOM 0 HD23 LEU A 129 40.042 -4.544 -19.669 1.00 30.08 H new ATOM 2113 N LYS A 130 37.358 -3.845 -14.790 1.00 27.93 N ATOM 2114 CA LYS A 130 37.349 -4.576 -13.525 1.00 27.96 C ATOM 2115 C LYS A 130 38.042 -5.929 -13.704 1.00 28.18 C ATOM 2116 O LYS A 130 39.265 -5.992 -13.819 1.00 28.19 O ATOM 2117 CB LYS A 130 35.907 -4.749 -13.004 1.00 27.75 C ATOM 2118 CG LYS A 130 35.804 -5.364 -11.609 1.00 27.52 C ATOM 2119 CD LYS A 130 36.271 -4.411 -10.518 1.00 27.65 C ATOM 2120 CE LYS A 130 35.361 -3.198 -10.403 1.00 28.04 C ATOM 2121 NZ LYS A 130 35.781 -2.287 -9.305 1.00 28.17 N ATOM 0 H LYS A 130 37.793 -2.924 -14.734 1.00 27.93 H new ATOM 0 HA LYS A 130 37.899 -4.003 -12.779 1.00 27.96 H new ATOM 0 HB2 LYS A 130 35.419 -3.774 -12.994 1.00 27.75 H new ATOM 0 HB3 LYS A 130 35.354 -5.375 -13.704 1.00 27.75 H new ATOM 0 HG2 LYS A 130 34.770 -5.652 -11.418 1.00 27.52 H new ATOM 0 HG3 LYS A 130 36.401 -6.275 -11.572 1.00 27.52 H new ATOM 0 HD2 LYS A 130 36.299 -4.936 -9.563 1.00 27.65 H new ATOM 0 HD3 LYS A 130 37.288 -4.084 -10.732 1.00 27.65 H new ATOM 0 HE2 LYS A 130 35.363 -2.653 -11.347 1.00 28.04 H new ATOM 0 HE3 LYS A 130 34.337 -3.528 -10.228 1.00 28.04 H new ATOM 0 HZ1 LYS A 130 35.134 -1.474 -9.262 1.00 28.17 H new ATOM 0 HZ2 LYS A 130 35.755 -2.799 -8.400 1.00 28.17 H new ATOM 0 HZ3 LYS A 130 36.749 -1.950 -9.484 1.00 28.17 H new ATOM 2135 N SER A 131 37.252 -6.990 -13.758 1.00 28.45 N ATOM 2136 CA SER A 131 37.741 -8.334 -14.030 1.00 28.77 C ATOM 2137 C SER A 131 36.559 -9.228 -14.395 1.00 28.91 C ATOM 2138 O SER A 131 35.876 -9.762 -13.518 1.00 29.19 O ATOM 2139 CB SER A 131 38.492 -8.914 -12.823 1.00 29.25 C ATOM 2140 OG SER A 131 39.708 -8.218 -12.583 1.00 29.23 O ATOM 0 H SER A 131 36.243 -6.943 -13.613 1.00 28.45 H new ATOM 0 HA SER A 131 38.445 -8.288 -14.861 1.00 28.77 H new ATOM 0 HB2 SER A 131 37.859 -8.858 -11.938 1.00 29.25 H new ATOM 0 HB3 SER A 131 38.704 -9.969 -12.997 1.00 29.25 H new ATOM 0 HG SER A 131 39.789 -7.473 -13.215 1.00 29.23 H new ATOM 2146 N PRO A 132 36.266 -9.357 -15.697 1.00 28.80 N ATOM 2147 CA PRO A 132 35.139 -10.157 -16.181 1.00 29.01 C ATOM 2148 C PRO A 132 35.350 -11.647 -15.937 1.00 29.52 C ATOM 2149 O PRO A 132 34.396 -12.392 -15.696 1.00 29.70 O ATOM 2150 CB PRO A 132 35.097 -9.866 -17.689 1.00 28.82 C ATOM 2151 CG PRO A 132 35.969 -8.672 -17.892 1.00 28.49 C ATOM 2152 CD PRO A 132 36.999 -8.726 -16.803 1.00 28.57 C ATOM 0 HA PRO A 132 34.213 -9.903 -15.665 1.00 29.01 H new ATOM 0 HB2 PRO A 132 35.460 -10.719 -18.263 1.00 28.82 H new ATOM 0 HB3 PRO A 132 34.078 -9.668 -18.022 1.00 28.82 H new ATOM 0 HG2 PRO A 132 36.439 -8.694 -18.875 1.00 28.49 H new ATOM 0 HG3 PRO A 132 35.389 -7.751 -17.836 1.00 28.49 H new ATOM 0 HD2 PRO A 132 37.870 -9.311 -17.098 1.00 28.57 H new ATOM 0 HD3 PRO A 132 37.359 -7.732 -16.536 1.00 28.57 H new ATOM 2160 N ALA A 133 36.612 -12.062 -15.989 1.00 29.82 N ATOM 2161 CA ALA A 133 36.989 -13.463 -15.825 1.00 30.39 C ATOM 2162 C ALA A 133 38.501 -13.583 -15.770 1.00 30.54 C ATOM 2163 O ALA A 133 39.058 -14.457 -15.107 1.00 30.82 O ATOM 2164 CB ALA A 133 36.440 -14.302 -16.968 1.00 30.73 C ATOM 0 H ALA A 133 37.403 -11.437 -16.146 1.00 29.82 H new ATOM 0 HA ALA A 133 36.564 -13.833 -14.892 1.00 30.39 H new ATOM 0 HB1 ALA A 133 36.732 -15.343 -16.828 1.00 30.73 H new ATOM 0 HB2 ALA A 133 35.353 -14.229 -16.984 1.00 30.73 H new ATOM 0 HB3 ALA A 133 36.842 -13.937 -17.913 1.00 30.73 H new ATOM 2170 N LEU A 134 39.146 -12.687 -16.486 1.00 30.43 N ATOM 2171 CA LEU A 134 40.593 -12.616 -16.531 1.00 30.66 C ATOM 2172 C LEU A 134 41.049 -11.268 -15.996 1.00 30.82 C ATOM 2173 O LEU A 134 40.319 -10.278 -16.193 1.00 31.05 O ATOM 2174 CB LEU A 134 41.118 -12.830 -17.961 1.00 30.92 C ATOM 2175 CG LEU A 134 40.683 -11.793 -19.009 1.00 30.78 C ATOM 2176 CD1 LEU A 134 41.613 -11.843 -20.212 1.00 31.20 C ATOM 2177 CD2 LEU A 134 39.248 -12.038 -19.457 1.00 30.60 C ATOM 0 H LEU A 134 38.679 -11.982 -17.057 1.00 30.43 H new ATOM 0 HA LEU A 134 41.000 -13.412 -15.908 1.00 30.66 H new ATOM 0 HB2 LEU A 134 42.207 -12.845 -17.927 1.00 30.92 H new ATOM 0 HB3 LEU A 134 40.796 -13.815 -18.300 1.00 30.92 H new ATOM 0 HG LEU A 134 40.737 -10.806 -18.551 1.00 30.78 H new ATOM 0 HD11 LEU A 134 41.296 -11.104 -20.948 1.00 31.20 H new ATOM 0 HD12 LEU A 134 42.632 -11.623 -19.894 1.00 31.20 H new ATOM 0 HD13 LEU A 134 41.579 -12.837 -20.657 1.00 31.20 H new ATOM 0 HD21 LEU A 134 38.966 -11.290 -20.198 1.00 30.60 H new ATOM 0 HD22 LEU A 134 39.169 -13.033 -19.896 1.00 30.60 H new ATOM 0 HD23 LEU A 134 38.581 -11.967 -18.598 1.00 30.60 H new ATOM 2189 N HIS A 135 42.133 -11.201 -15.379 1.00 30.79 N TER 2190 HIS A 135