USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 877 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 4 LYS NZ :NH3+ 169:sc= 1.2 (180deg=0) USER MOD Set 1.2: A 65 SER OG : rot 77:sc= 1.58 USER MOD Set 2.1: A 59 SER OG : rot -76:sc= 0.377 USER MOD Set 2.2: A 103 THR OG1 : rot 160:sc= 0 USER MOD Set 3.1: A 42 ASN : amide:sc= -0.105 K(o=0.072,f=-2.1) USER MOD Set 3.2: A 49 LYS NZ :NH3+ -109:sc= 0.177 (180deg=0) USER MOD Set 4.1: A 45 MET CE :methyl 171:sc= -1.62 (180deg=-1.93) USER MOD Set 4.2: A 90 TYR OH : rot -127:sc= 1.08 USER MOD Set 5.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -138:sc= 0.0256 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= -0.0352 (180deg=-0.284) USER MOD Single : A 15 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.59) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.0269 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.29 USER MOD Single : A 23 TYR OH : rot -90:sc= -0.533 USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 164:sc= 0.126 (180deg=0.0722) USER MOD Single : A 36 LYS NZ :NH3+ -163:sc= 0.256 (180deg=-0.0573) USER MOD Single : A 38 LYS NZ :NH3+ 177:sc= 0.726 (180deg=0.72) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -172:sc=-0.00044 (180deg=-0.0393) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -119:sc= 0.97 (180deg=-0.0411) USER MOD Single : A 64 HIS : no HE2:sc= -0.213 K(o=-0.21,f=-1.4) USER MOD Single : A 71 LYS NZ :NH3+ -110:sc= -0.185 (180deg=-1.86!) USER MOD Single : A 72 LYS NZ :NH3+ 165:sc= 0.408 (180deg=0.234) USER MOD Single : A 75 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0239) USER MOD Single : A 76 LYS NZ :NH3+ -124:sc= -0.287 (180deg=-0.459) USER MOD Single : A 82 ASN : amide:sc= 0.4 K(o=0.4,f=-0.74) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.0184 K(o=-0.018,f=-1.2) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.15 X(o=-1.1,f=-0.94) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.176 K(o=-0.18,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 4 15.482 -6.218 -0.218 1.00 4.41 N ATOM 39 CA LYS A 4 14.730 -5.691 0.922 1.00 55.11 C ATOM 40 C LYS A 4 13.518 -6.575 1.229 1.00 51.33 C ATOM 41 O LYS A 4 12.693 -6.828 0.340 1.00 75.31 O ATOM 42 CB LYS A 4 14.252 -4.233 0.638 1.00 10.05 C ATOM 43 CG LYS A 4 15.378 -3.206 0.383 1.00 32.34 C ATOM 44 CD LYS A 4 16.382 -3.084 1.555 1.00 30.41 C ATOM 45 CE LYS A 4 15.723 -2.710 2.896 1.00 13.00 C ATOM 46 NZ LYS A 4 16.736 -2.580 3.976 1.00 44.20 N ATOM 0 HA LYS A 4 15.394 -5.688 1.786 1.00 55.11 H new ATOM 0 HB2 LYS A 4 13.593 -4.247 -0.230 1.00 10.05 H new ATOM 0 HB3 LYS A 4 13.657 -3.892 1.485 1.00 10.05 H new ATOM 0 HG2 LYS A 4 15.919 -3.489 -0.520 1.00 32.34 H new ATOM 0 HG3 LYS A 4 14.932 -2.229 0.194 1.00 32.34 H new ATOM 0 HD2 LYS A 4 16.909 -4.031 1.671 1.00 30.41 H new ATOM 0 HD3 LYS A 4 17.130 -2.331 1.305 1.00 30.41 H new ATOM 0 HE2 LYS A 4 15.180 -1.771 2.788 1.00 13.00 H new ATOM 0 HE3 LYS A 4 14.992 -3.471 3.169 1.00 13.00 H new ATOM 0 HZ1 LYS A 4 16.296 -2.150 4.815 1.00 44.20 H new ATOM 0 HZ2 LYS A 4 17.104 -3.521 4.222 1.00 44.20 H new ATOM 0 HZ3 LYS A 4 17.518 -1.978 3.648 1.00 44.20 H new ATOM 60 N LYS A 5 13.430 -7.057 2.479 1.00 21.42 N ATOM 61 CA LYS A 5 12.191 -7.611 3.015 1.00 22.54 C ATOM 62 C LYS A 5 11.407 -6.446 3.632 1.00 51.34 C ATOM 63 O LYS A 5 11.700 -5.995 4.748 1.00 13.30 O ATOM 64 CB LYS A 5 12.438 -8.716 4.075 1.00 34.24 C ATOM 65 CG LYS A 5 11.162 -9.554 4.403 1.00 4.14 C ATOM 66 CD LYS A 5 11.223 -10.258 5.778 1.00 21.40 C ATOM 67 CE LYS A 5 11.175 -9.262 6.943 1.00 14.15 C ATOM 68 NZ LYS A 5 11.313 -9.929 8.264 1.00 43.32 N ATOM 0 H LYS A 5 14.211 -7.071 3.135 1.00 21.42 H new ATOM 0 HA LYS A 5 11.634 -8.089 2.210 1.00 22.54 H new ATOM 0 HB2 LYS A 5 13.221 -9.384 3.717 1.00 34.24 H new ATOM 0 HB3 LYS A 5 12.807 -8.255 4.991 1.00 34.24 H new ATOM 0 HG2 LYS A 5 10.291 -8.900 4.377 1.00 4.14 H new ATOM 0 HG3 LYS A 5 11.020 -10.305 3.625 1.00 4.14 H new ATOM 0 HD2 LYS A 5 10.390 -10.955 5.864 1.00 21.40 H new ATOM 0 HD3 LYS A 5 12.139 -10.846 5.843 1.00 21.40 H new ATOM 0 HE2 LYS A 5 11.973 -8.529 6.824 1.00 14.15 H new ATOM 0 HE3 LYS A 5 10.233 -8.715 6.912 1.00 14.15 H new ATOM 0 HZ1 LYS A 5 10.641 -9.508 8.937 1.00 43.32 H new ATOM 0 HZ2 LYS A 5 11.112 -10.944 8.163 1.00 43.32 H new ATOM 0 HZ3 LYS A 5 12.283 -9.802 8.617 1.00 43.32 H new ATOM 82 N VAL A 6 10.456 -5.943 2.867 1.00 31.40 N ATOM 83 CA VAL A 6 9.592 -4.827 3.254 1.00 31.22 C ATOM 84 C VAL A 6 8.264 -5.417 3.735 1.00 43.20 C ATOM 85 O VAL A 6 7.634 -6.215 3.027 1.00 41.23 O ATOM 86 CB VAL A 6 9.379 -3.808 2.050 1.00 30.42 C ATOM 87 CG1 VAL A 6 9.355 -4.535 0.689 1.00 73.44 C ATOM 88 CG2 VAL A 6 8.098 -2.963 2.215 1.00 40.42 C ATOM 0 H VAL A 6 10.252 -6.303 1.935 1.00 31.40 H new ATOM 0 HA VAL A 6 10.058 -4.252 4.054 1.00 31.22 H new ATOM 0 HB VAL A 6 10.233 -3.131 2.072 1.00 30.42 H new ATOM 0 HG11 VAL A 6 9.208 -3.808 -0.109 1.00 73.44 H new ATOM 0 HG12 VAL A 6 10.301 -5.054 0.537 1.00 73.44 H new ATOM 0 HG13 VAL A 6 8.539 -5.257 0.677 1.00 73.44 H new ATOM 0 HG21 VAL A 6 7.998 -2.284 1.368 1.00 40.42 H new ATOM 0 HG22 VAL A 6 7.230 -3.622 2.256 1.00 40.42 H new ATOM 0 HG23 VAL A 6 8.159 -2.386 3.138 1.00 40.42 H new ATOM 98 N GLU A 7 7.847 -5.030 4.948 1.00 72.34 N ATOM 99 CA GLU A 7 6.589 -5.506 5.528 1.00 12.10 C ATOM 100 C GLU A 7 5.540 -4.392 5.385 1.00 4.52 C ATOM 101 O GLU A 7 5.671 -3.306 5.968 1.00 53.33 O ATOM 102 CB GLU A 7 6.795 -5.967 6.996 1.00 52.03 C ATOM 103 CG GLU A 7 7.748 -7.190 7.116 1.00 72.32 C ATOM 104 CD GLU A 7 7.851 -7.784 8.532 1.00 40.12 C ATOM 105 OE1 GLU A 7 6.812 -8.164 9.097 1.00 61.30 O ATOM 106 OE2 GLU A 7 8.974 -7.913 9.075 1.00 45.22 O ATOM 0 H GLU A 7 8.366 -4.387 5.546 1.00 72.34 H new ATOM 0 HA GLU A 7 6.228 -6.385 4.995 1.00 12.10 H new ATOM 0 HB2 GLU A 7 7.199 -5.139 7.579 1.00 52.03 H new ATOM 0 HB3 GLU A 7 5.829 -6.221 7.431 1.00 52.03 H new ATOM 0 HG2 GLU A 7 7.407 -7.968 6.433 1.00 72.32 H new ATOM 0 HG3 GLU A 7 8.744 -6.892 6.788 1.00 72.32 H new ATOM 113 N VAL A 8 4.525 -4.686 4.562 1.00 74.01 N ATOM 114 CA VAL A 8 3.487 -3.744 4.142 1.00 54.42 C ATOM 115 C VAL A 8 2.227 -4.001 4.973 1.00 54.32 C ATOM 116 O VAL A 8 1.565 -5.031 4.812 1.00 52.50 O ATOM 117 CB VAL A 8 3.194 -3.913 2.600 1.00 62.01 C ATOM 118 CG1 VAL A 8 2.100 -2.942 2.101 1.00 12.43 C ATOM 119 CG2 VAL A 8 4.495 -3.738 1.785 1.00 65.11 C ATOM 0 H VAL A 8 4.403 -5.615 4.159 1.00 74.01 H new ATOM 0 HA VAL A 8 3.821 -2.719 4.306 1.00 54.42 H new ATOM 0 HB VAL A 8 2.813 -4.923 2.449 1.00 62.01 H new ATOM 0 HG11 VAL A 8 1.935 -3.097 1.035 1.00 12.43 H new ATOM 0 HG12 VAL A 8 1.173 -3.129 2.643 1.00 12.43 H new ATOM 0 HG13 VAL A 8 2.420 -1.914 2.273 1.00 12.43 H new ATOM 0 HG21 VAL A 8 4.278 -3.857 0.723 1.00 65.11 H new ATOM 0 HG22 VAL A 8 4.904 -2.744 1.962 1.00 65.11 H new ATOM 0 HG23 VAL A 8 5.221 -4.490 2.093 1.00 65.11 H new ATOM 129 N GLN A 9 1.920 -3.066 5.875 1.00 13.53 N ATOM 130 CA GLN A 9 0.798 -3.193 6.808 1.00 23.14 C ATOM 131 C GLN A 9 -0.397 -2.444 6.205 1.00 11.43 C ATOM 132 O GLN A 9 -0.480 -1.221 6.307 1.00 33.12 O ATOM 133 CB GLN A 9 1.226 -2.604 8.184 1.00 40.23 C ATOM 134 CG GLN A 9 2.512 -3.250 8.755 1.00 11.01 C ATOM 135 CD GLN A 9 3.066 -2.542 9.994 1.00 44.20 C ATOM 136 OE1 GLN A 9 2.698 -2.854 11.126 1.00 24.44 O ATOM 137 NE2 GLN A 9 3.967 -1.592 9.787 1.00 35.21 N ATOM 0 H GLN A 9 2.444 -2.197 5.979 1.00 13.53 H new ATOM 0 HA GLN A 9 0.512 -4.233 6.967 1.00 23.14 H new ATOM 0 HB2 GLN A 9 1.383 -1.531 8.079 1.00 40.23 H new ATOM 0 HB3 GLN A 9 0.413 -2.738 8.897 1.00 40.23 H new ATOM 0 HG2 GLN A 9 2.303 -4.290 9.006 1.00 11.01 H new ATOM 0 HG3 GLN A 9 3.278 -3.257 7.980 1.00 11.01 H new ATOM 0 HE21 GLN A 9 4.251 -1.357 8.836 1.00 35.21 H new ATOM 0 HE22 GLN A 9 4.376 -1.096 10.579 1.00 35.21 H new ATOM 146 N VAL A 10 -1.300 -3.198 5.555 1.00 50.22 N ATOM 147 CA VAL A 10 -2.458 -2.641 4.836 1.00 3.23 C ATOM 148 C VAL A 10 -3.665 -2.643 5.781 1.00 51.42 C ATOM 149 O VAL A 10 -4.234 -3.701 6.064 1.00 64.13 O ATOM 150 CB VAL A 10 -2.780 -3.465 3.523 1.00 65.20 C ATOM 151 CG1 VAL A 10 -3.957 -2.835 2.736 1.00 70.50 C ATOM 152 CG2 VAL A 10 -1.519 -3.595 2.633 1.00 42.43 C ATOM 0 H VAL A 10 -1.247 -4.216 5.514 1.00 50.22 H new ATOM 0 HA VAL A 10 -2.227 -1.622 4.524 1.00 3.23 H new ATOM 0 HB VAL A 10 -3.087 -4.467 3.824 1.00 65.20 H new ATOM 0 HG11 VAL A 10 -4.153 -3.424 1.840 1.00 70.50 H new ATOM 0 HG12 VAL A 10 -4.848 -2.821 3.363 1.00 70.50 H new ATOM 0 HG13 VAL A 10 -3.699 -1.815 2.450 1.00 70.50 H new ATOM 0 HG21 VAL A 10 -1.764 -4.165 1.737 1.00 42.43 H new ATOM 0 HG22 VAL A 10 -1.171 -2.602 2.348 1.00 42.43 H new ATOM 0 HG23 VAL A 10 -0.734 -4.110 3.187 1.00 42.43 H new ATOM 162 N LYS A 11 -4.015 -1.458 6.291 1.00 13.41 N ATOM 163 CA LYS A 11 -5.097 -1.278 7.264 1.00 24.52 C ATOM 164 C LYS A 11 -6.227 -0.505 6.564 1.00 32.31 C ATOM 165 O LYS A 11 -6.128 0.702 6.373 1.00 40.13 O ATOM 166 CB LYS A 11 -4.488 -0.526 8.491 1.00 31.31 C ATOM 167 CG LYS A 11 -5.386 -0.320 9.721 1.00 1.02 C ATOM 168 CD LYS A 11 -6.138 1.028 9.710 1.00 62.24 C ATOM 169 CE LYS A 11 -6.708 1.360 11.083 1.00 40.01 C ATOM 170 NZ LYS A 11 -5.646 1.635 12.088 1.00 22.44 N ATOM 0 H LYS A 11 -3.550 -0.587 6.037 1.00 13.41 H new ATOM 0 HA LYS A 11 -5.524 -2.213 7.626 1.00 24.52 H new ATOM 0 HB2 LYS A 11 -3.600 -1.071 8.812 1.00 31.31 H new ATOM 0 HB3 LYS A 11 -4.154 0.455 8.151 1.00 31.31 H new ATOM 0 HG2 LYS A 11 -6.111 -1.132 9.773 1.00 1.02 H new ATOM 0 HG3 LYS A 11 -4.775 -0.380 10.622 1.00 1.02 H new ATOM 0 HD2 LYS A 11 -5.460 1.821 9.395 1.00 62.24 H new ATOM 0 HD3 LYS A 11 -6.946 0.989 8.979 1.00 62.24 H new ATOM 0 HE2 LYS A 11 -7.361 2.229 11.002 1.00 40.01 H new ATOM 0 HE3 LYS A 11 -7.324 0.530 11.428 1.00 40.01 H new ATOM 0 HZ1 LYS A 11 -6.057 2.142 12.898 1.00 22.44 H new ATOM 0 HZ2 LYS A 11 -5.235 0.737 12.414 1.00 22.44 H new ATOM 0 HZ3 LYS A 11 -4.902 2.219 11.656 1.00 22.44 H new ATOM 184 N ILE A 12 -7.292 -1.216 6.168 1.00 11.23 N ATOM 185 CA ILE A 12 -8.371 -0.648 5.337 1.00 33.20 C ATOM 186 C ILE A 12 -9.718 -0.720 6.081 1.00 41.23 C ATOM 187 O ILE A 12 -10.137 -1.788 6.526 1.00 42.05 O ATOM 188 CB ILE A 12 -8.450 -1.351 3.917 1.00 11.13 C ATOM 189 CG1 ILE A 12 -9.643 -0.784 3.073 1.00 43.03 C ATOM 190 CG2 ILE A 12 -8.509 -2.898 4.020 1.00 34.24 C ATOM 191 CD1 ILE A 12 -9.803 -1.392 1.690 1.00 75.23 C ATOM 0 H ILE A 12 -7.433 -2.196 6.411 1.00 11.23 H new ATOM 0 HA ILE A 12 -8.139 0.402 5.156 1.00 33.20 H new ATOM 0 HB ILE A 12 -7.524 -1.113 3.394 1.00 11.13 H new ATOM 0 HG12 ILE A 12 -10.567 -0.939 3.630 1.00 43.03 H new ATOM 0 HG13 ILE A 12 -9.512 0.293 2.966 1.00 43.03 H new ATOM 0 HG21 ILE A 12 -8.562 -3.327 3.020 1.00 34.24 H new ATOM 0 HG22 ILE A 12 -7.615 -3.263 4.525 1.00 34.24 H new ATOM 0 HG23 ILE A 12 -9.392 -3.191 4.588 1.00 34.24 H new ATOM 0 HD11 ILE A 12 -10.655 -0.934 1.187 1.00 75.23 H new ATOM 0 HD12 ILE A 12 -8.899 -1.214 1.108 1.00 75.23 H new ATOM 0 HD13 ILE A 12 -9.970 -2.465 1.781 1.00 75.23 H new ATOM 203 N THR A 13 -10.377 0.440 6.231 1.00 51.45 N ATOM 204 CA THR A 13 -11.691 0.542 6.878 1.00 41.54 C ATOM 205 C THR A 13 -12.802 0.413 5.812 1.00 51.51 C ATOM 206 O THR A 13 -12.834 1.185 4.840 1.00 31.01 O ATOM 207 CB THR A 13 -11.813 1.890 7.665 1.00 12.32 C ATOM 208 OG1 THR A 13 -10.703 1.999 8.576 1.00 51.43 O ATOM 209 CG2 THR A 13 -13.131 1.994 8.463 1.00 10.14 C ATOM 0 H THR A 13 -10.011 1.335 5.906 1.00 51.45 H new ATOM 0 HA THR A 13 -11.803 -0.269 7.597 1.00 41.54 H new ATOM 0 HB THR A 13 -11.808 2.700 6.935 1.00 12.32 H new ATOM 0 HG1 THR A 13 -10.769 2.841 9.073 1.00 51.43 H new ATOM 0 HG21 THR A 13 -13.163 2.948 8.989 1.00 10.14 H new ATOM 0 HG22 THR A 13 -13.977 1.928 7.779 1.00 10.14 H new ATOM 0 HG23 THR A 13 -13.184 1.179 9.185 1.00 10.14 H new ATOM 217 N CYS A 14 -13.674 -0.593 6.003 1.00 11.53 N ATOM 218 CA CYS A 14 -14.780 -0.933 5.085 1.00 41.24 C ATOM 219 C CYS A 14 -15.855 -1.732 5.836 1.00 41.35 C ATOM 220 O CYS A 14 -15.528 -2.508 6.738 1.00 53.52 O ATOM 221 CB CYS A 14 -14.248 -1.736 3.868 1.00 32.10 C ATOM 222 SG CYS A 14 -15.482 -2.749 2.973 1.00 41.10 S ATOM 0 H CYS A 14 -13.630 -1.206 6.817 1.00 11.53 H new ATOM 0 HA CYS A 14 -15.227 -0.011 4.712 1.00 41.24 H new ATOM 0 HB2 CYS A 14 -13.802 -1.035 3.162 1.00 32.10 H new ATOM 0 HB3 CYS A 14 -13.449 -2.393 4.212 1.00 32.10 H new ATOM 227 N ASN A 15 -17.143 -1.479 5.493 1.00 63.13 N ATOM 228 CA ASN A 15 -18.310 -2.253 5.997 1.00 63.25 C ATOM 229 C ASN A 15 -18.452 -2.131 7.544 1.00 10.13 C ATOM 230 O ASN A 15 -19.025 -2.997 8.218 1.00 52.24 O ATOM 231 CB ASN A 15 -18.186 -3.738 5.509 1.00 71.02 C ATOM 232 CG ASN A 15 -19.419 -4.610 5.759 1.00 65.33 C ATOM 233 OD1 ASN A 15 -20.545 -4.121 5.820 1.00 61.22 O ATOM 234 ND2 ASN A 15 -19.213 -5.909 5.899 1.00 50.24 N ATOM 0 H ASN A 15 -17.405 -0.728 4.855 1.00 63.13 H new ATOM 0 HA ASN A 15 -19.231 -1.837 5.588 1.00 63.25 H new ATOM 0 HB2 ASN A 15 -17.973 -3.736 4.440 1.00 71.02 H new ATOM 0 HB3 ASN A 15 -17.330 -4.196 6.004 1.00 71.02 H new ATOM 0 HD21 ASN A 15 -20.001 -6.536 6.063 1.00 50.24 H new ATOM 0 HD22 ASN A 15 -18.266 -6.284 5.843 1.00 50.24 H new ATOM 241 N GLY A 16 -17.924 -1.023 8.094 1.00 54.22 N ATOM 242 CA GLY A 16 -17.979 -0.749 9.530 1.00 73.24 C ATOM 243 C GLY A 16 -16.840 -1.385 10.313 1.00 32.23 C ATOM 244 O GLY A 16 -16.682 -1.100 11.501 1.00 22.42 O ATOM 0 H GLY A 16 -17.451 -0.299 7.553 1.00 54.22 H new ATOM 0 HA2 GLY A 16 -17.960 0.329 9.687 1.00 73.24 H new ATOM 0 HA3 GLY A 16 -18.928 -1.112 9.925 1.00 73.24 H new ATOM 248 N LYS A 17 -16.037 -2.242 9.649 1.00 5.34 N ATOM 249 CA LYS A 17 -14.900 -2.950 10.273 1.00 65.13 C ATOM 250 C LYS A 17 -13.568 -2.386 9.770 1.00 24.24 C ATOM 251 O LYS A 17 -13.519 -1.603 8.820 1.00 41.34 O ATOM 252 CB LYS A 17 -14.949 -4.475 9.975 1.00 52.20 C ATOM 253 CG LYS A 17 -16.128 -5.240 10.619 1.00 75.14 C ATOM 254 CD LYS A 17 -16.014 -6.780 10.432 1.00 23.15 C ATOM 255 CE LYS A 17 -14.746 -7.372 11.091 1.00 41.32 C ATOM 256 NZ LYS A 17 -14.631 -8.844 10.884 1.00 24.41 N ATOM 0 H LYS A 17 -16.160 -2.463 8.661 1.00 5.34 H new ATOM 0 HA LYS A 17 -14.979 -2.797 11.349 1.00 65.13 H new ATOM 0 HB2 LYS A 17 -14.994 -4.615 8.895 1.00 52.20 H new ATOM 0 HB3 LYS A 17 -14.017 -4.925 10.317 1.00 52.20 H new ATOM 0 HG2 LYS A 17 -16.168 -5.009 11.683 1.00 75.14 H new ATOM 0 HG3 LYS A 17 -17.064 -4.893 10.182 1.00 75.14 H new ATOM 0 HD2 LYS A 17 -16.896 -7.259 10.857 1.00 23.15 H new ATOM 0 HD3 LYS A 17 -16.007 -7.012 9.367 1.00 23.15 H new ATOM 0 HE2 LYS A 17 -13.864 -6.880 10.681 1.00 41.32 H new ATOM 0 HE3 LYS A 17 -14.762 -7.159 12.160 1.00 41.32 H new ATOM 0 HZ1 LYS A 17 -13.766 -9.193 11.344 1.00 24.41 H new ATOM 0 HZ2 LYS A 17 -15.459 -9.319 11.298 1.00 24.41 H new ATOM 0 HZ3 LYS A 17 -14.588 -9.049 9.865 1.00 24.41 H new ATOM 270 N THR A 18 -12.488 -2.810 10.438 1.00 15.30 N ATOM 271 CA THR A 18 -11.113 -2.549 10.021 1.00 45.22 C ATOM 272 C THR A 18 -10.441 -3.887 9.665 1.00 54.45 C ATOM 273 O THR A 18 -10.425 -4.811 10.484 1.00 13.43 O ATOM 274 CB THR A 18 -10.327 -1.839 11.169 1.00 24.51 C ATOM 275 OG1 THR A 18 -10.990 -0.612 11.518 1.00 62.14 O ATOM 276 CG2 THR A 18 -8.874 -1.537 10.783 1.00 31.44 C ATOM 0 H THR A 18 -12.551 -3.354 11.299 1.00 15.30 H new ATOM 0 HA THR A 18 -11.111 -1.894 9.150 1.00 45.22 H new ATOM 0 HB THR A 18 -10.308 -2.520 12.020 1.00 24.51 H new ATOM 0 HG1 THR A 18 -10.497 -0.168 12.239 1.00 62.14 H new ATOM 0 HG21 THR A 18 -8.372 -1.044 11.615 1.00 31.44 H new ATOM 0 HG22 THR A 18 -8.359 -2.468 10.549 1.00 31.44 H new ATOM 0 HG23 THR A 18 -8.858 -0.884 9.910 1.00 31.44 H new ATOM 284 N TYR A 19 -9.917 -3.987 8.437 1.00 1.43 N ATOM 285 CA TYR A 19 -9.208 -5.179 7.955 1.00 20.42 C ATOM 286 C TYR A 19 -7.729 -4.817 7.818 1.00 42.42 C ATOM 287 O TYR A 19 -7.341 -4.152 6.852 1.00 21.42 O ATOM 288 CB TYR A 19 -9.779 -5.641 6.579 1.00 40.21 C ATOM 289 CG TYR A 19 -11.306 -5.721 6.536 1.00 33.52 C ATOM 290 CD1 TYR A 19 -12.063 -4.594 6.208 1.00 0.41 C ATOM 291 CD2 TYR A 19 -11.997 -6.901 6.832 1.00 13.12 C ATOM 292 CE1 TYR A 19 -13.435 -4.642 6.176 1.00 14.22 C ATOM 293 CE2 TYR A 19 -13.382 -6.946 6.801 1.00 50.33 C ATOM 294 CZ TYR A 19 -14.094 -5.811 6.470 1.00 31.34 C ATOM 295 OH TYR A 19 -15.472 -5.839 6.445 1.00 42.52 O ATOM 0 H TYR A 19 -9.973 -3.239 7.746 1.00 1.43 H new ATOM 0 HA TYR A 19 -9.337 -6.001 8.658 1.00 20.42 H new ATOM 0 HB2 TYR A 19 -9.439 -4.952 5.806 1.00 40.21 H new ATOM 0 HB3 TYR A 19 -9.367 -6.620 6.336 1.00 40.21 H new ATOM 0 HD1 TYR A 19 -11.560 -3.667 5.975 1.00 0.41 H new ATOM 0 HD2 TYR A 19 -11.442 -7.791 7.089 1.00 13.12 H new ATOM 0 HE1 TYR A 19 -13.998 -3.757 5.919 1.00 14.22 H new ATOM 0 HE2 TYR A 19 -13.901 -7.864 7.035 1.00 50.33 H new ATOM 0 HH TYR A 19 -15.785 -6.739 6.675 1.00 42.52 H new ATOM 305 N GLU A 20 -6.912 -5.217 8.799 1.00 44.20 N ATOM 306 CA GLU A 20 -5.462 -4.976 8.762 1.00 41.25 C ATOM 307 C GLU A 20 -4.747 -6.292 8.459 1.00 10.25 C ATOM 308 O GLU A 20 -5.221 -7.367 8.863 1.00 62.30 O ATOM 309 CB GLU A 20 -4.971 -4.317 10.086 1.00 61.52 C ATOM 310 CG GLU A 20 -5.091 -5.160 11.391 1.00 53.42 C ATOM 311 CD GLU A 20 -3.961 -6.204 11.615 1.00 60.11 C ATOM 312 OE1 GLU A 20 -2.781 -5.893 11.337 1.00 72.10 O ATOM 313 OE2 GLU A 20 -4.250 -7.340 12.057 1.00 3.04 O ATOM 0 H GLU A 20 -7.231 -5.711 9.632 1.00 44.20 H new ATOM 0 HA GLU A 20 -5.223 -4.269 7.968 1.00 41.25 H new ATOM 0 HB2 GLU A 20 -3.924 -4.041 9.958 1.00 61.52 H new ATOM 0 HB3 GLU A 20 -5.529 -3.392 10.230 1.00 61.52 H new ATOM 0 HG2 GLU A 20 -5.109 -4.480 12.243 1.00 53.42 H new ATOM 0 HG3 GLU A 20 -6.048 -5.682 11.380 1.00 53.42 H new ATOM 320 N ARG A 21 -3.626 -6.210 7.733 1.00 23.03 N ATOM 321 CA ARG A 21 -2.778 -7.372 7.467 1.00 50.24 C ATOM 322 C ARG A 21 -1.351 -6.921 7.134 1.00 13.11 C ATOM 323 O ARG A 21 -1.150 -6.113 6.228 1.00 50.10 O ATOM 324 CB ARG A 21 -3.361 -8.252 6.320 1.00 5.22 C ATOM 325 CG ARG A 21 -2.677 -9.638 6.175 1.00 42.32 C ATOM 326 CD ARG A 21 -2.876 -10.506 7.424 1.00 51.31 C ATOM 327 NE ARG A 21 -2.097 -11.760 7.402 1.00 43.35 N ATOM 328 CZ ARG A 21 -1.396 -12.245 8.449 1.00 53.14 C ATOM 329 NH1 ARG A 21 -1.359 -11.589 9.604 1.00 43.24 N ATOM 330 NH2 ARG A 21 -0.741 -13.390 8.329 1.00 12.00 N ATOM 0 H ARG A 21 -3.285 -5.343 7.318 1.00 23.03 H new ATOM 0 HA ARG A 21 -2.751 -7.984 8.368 1.00 50.24 H new ATOM 0 HB2 ARG A 21 -4.426 -8.401 6.496 1.00 5.22 H new ATOM 0 HB3 ARG A 21 -3.266 -7.712 5.378 1.00 5.22 H new ATOM 0 HG2 ARG A 21 -3.083 -10.154 5.305 1.00 42.32 H new ATOM 0 HG3 ARG A 21 -1.611 -9.500 5.995 1.00 42.32 H new ATOM 0 HD2 ARG A 21 -2.596 -9.929 8.305 1.00 51.31 H new ATOM 0 HD3 ARG A 21 -3.934 -10.747 7.524 1.00 51.31 H new ATOM 0 HE ARG A 21 -2.088 -12.298 6.535 1.00 43.35 H new ATOM 0 HH11 ARG A 21 -1.864 -10.709 9.707 1.00 43.24 H new ATOM 0 HH12 ARG A 21 -0.826 -11.966 10.388 1.00 43.24 H new ATOM 0 HH21 ARG A 21 -0.767 -13.903 7.448 1.00 12.00 H new ATOM 0 HH22 ARG A 21 -0.210 -13.759 9.118 1.00 12.00 H new ATOM 344 N THR A 22 -0.374 -7.447 7.889 1.00 42.40 N ATOM 345 CA THR A 22 1.053 -7.238 7.628 1.00 74.10 C ATOM 346 C THR A 22 1.553 -8.337 6.675 1.00 75.45 C ATOM 347 O THR A 22 1.611 -9.515 7.054 1.00 2.24 O ATOM 348 CB THR A 22 1.869 -7.253 8.964 1.00 71.14 C ATOM 349 OG1 THR A 22 1.312 -6.285 9.876 1.00 34.22 O ATOM 350 CG2 THR A 22 3.364 -6.937 8.743 1.00 23.01 C ATOM 0 H THR A 22 -0.557 -8.033 8.703 1.00 42.40 H new ATOM 0 HA THR A 22 1.196 -6.262 7.164 1.00 74.10 H new ATOM 0 HB THR A 22 1.800 -8.259 9.378 1.00 71.14 H new ATOM 0 HG1 THR A 22 1.821 -6.294 10.714 1.00 34.22 H new ATOM 0 HG21 THR A 22 3.886 -6.960 9.700 1.00 23.01 H new ATOM 0 HG22 THR A 22 3.798 -7.681 8.075 1.00 23.01 H new ATOM 0 HG23 THR A 22 3.465 -5.947 8.298 1.00 23.01 H new ATOM 358 N TYR A 23 1.855 -7.945 5.434 1.00 54.42 N ATOM 359 CA TYR A 23 2.375 -8.848 4.399 1.00 14.21 C ATOM 360 C TYR A 23 3.901 -8.705 4.339 1.00 2.01 C ATOM 361 O TYR A 23 4.420 -7.590 4.346 1.00 52.15 O ATOM 362 CB TYR A 23 1.772 -8.487 3.012 1.00 41.43 C ATOM 363 CG TYR A 23 0.235 -8.518 2.947 1.00 53.11 C ATOM 364 CD1 TYR A 23 -0.524 -7.375 3.230 1.00 50.14 C ATOM 365 CD2 TYR A 23 -0.458 -9.680 2.594 1.00 33.04 C ATOM 366 CE1 TYR A 23 -1.904 -7.392 3.156 1.00 1.32 C ATOM 367 CE2 TYR A 23 -1.840 -9.697 2.524 1.00 25.12 C ATOM 368 CZ TYR A 23 -2.555 -8.550 2.803 1.00 52.25 C ATOM 369 OH TYR A 23 -3.933 -8.565 2.728 1.00 42.13 O ATOM 0 H TYR A 23 1.745 -6.983 5.115 1.00 54.42 H new ATOM 0 HA TYR A 23 2.099 -9.873 4.646 1.00 14.21 H new ATOM 0 HB2 TYR A 23 2.113 -7.490 2.732 1.00 41.43 H new ATOM 0 HB3 TYR A 23 2.167 -9.180 2.269 1.00 41.43 H new ATOM 0 HD1 TYR A 23 -0.021 -6.462 3.512 1.00 50.14 H new ATOM 0 HD2 TYR A 23 0.095 -10.581 2.372 1.00 33.04 H new ATOM 0 HE1 TYR A 23 -2.469 -6.498 3.375 1.00 1.32 H new ATOM 0 HE2 TYR A 23 -2.357 -10.605 2.252 1.00 25.12 H new ATOM 0 HH TYR A 23 -4.305 -8.815 3.599 1.00 42.13 H new ATOM 379 N GLN A 24 4.605 -9.834 4.257 1.00 13.22 N ATOM 380 CA GLN A 24 6.067 -9.839 4.103 1.00 10.32 C ATOM 381 C GLN A 24 6.378 -10.011 2.616 1.00 63.43 C ATOM 382 O GLN A 24 6.155 -11.083 2.045 1.00 4.43 O ATOM 383 CB GLN A 24 6.725 -10.961 4.955 1.00 53.14 C ATOM 384 CG GLN A 24 6.492 -10.808 6.473 1.00 74.04 C ATOM 385 CD GLN A 24 7.221 -11.851 7.326 1.00 53.25 C ATOM 386 OE1 GLN A 24 8.301 -12.332 6.971 1.00 11.15 O ATOM 387 NE2 GLN A 24 6.640 -12.201 8.466 1.00 63.54 N ATOM 0 H GLN A 24 4.187 -10.764 4.295 1.00 13.22 H new ATOM 0 HA GLN A 24 6.483 -8.899 4.465 1.00 10.32 H new ATOM 0 HB2 GLN A 24 6.334 -11.926 4.632 1.00 53.14 H new ATOM 0 HB3 GLN A 24 7.797 -10.970 4.761 1.00 53.14 H new ATOM 0 HG2 GLN A 24 6.814 -9.813 6.781 1.00 74.04 H new ATOM 0 HG3 GLN A 24 5.423 -10.873 6.674 1.00 74.04 H new ATOM 0 HE21 GLN A 24 5.747 -11.786 8.732 1.00 63.54 H new ATOM 0 HE22 GLN A 24 7.086 -12.885 9.077 1.00 63.54 H new ATOM 396 N LEU A 25 6.863 -8.934 1.995 1.00 44.24 N ATOM 397 CA LEU A 25 7.188 -8.892 0.561 1.00 45.45 C ATOM 398 C LEU A 25 8.698 -8.686 0.418 1.00 40.32 C ATOM 399 O LEU A 25 9.285 -7.900 1.159 1.00 22.11 O ATOM 400 CB LEU A 25 6.386 -7.755 -0.142 1.00 52.34 C ATOM 401 CG LEU A 25 4.827 -7.918 -0.155 1.00 4.52 C ATOM 402 CD1 LEU A 25 4.140 -6.713 -0.831 1.00 40.14 C ATOM 403 CD2 LEU A 25 4.399 -9.245 -0.828 1.00 24.34 C ATOM 0 H LEU A 25 7.045 -8.053 2.477 1.00 44.24 H new ATOM 0 HA LEU A 25 6.907 -9.828 0.079 1.00 45.45 H new ATOM 0 HB2 LEU A 25 6.628 -6.811 0.347 1.00 52.34 H new ATOM 0 HB3 LEU A 25 6.732 -7.678 -1.173 1.00 52.34 H new ATOM 0 HG LEU A 25 4.499 -7.951 0.884 1.00 4.52 H new ATOM 0 HD11 LEU A 25 3.060 -6.858 -0.823 1.00 40.14 H new ATOM 0 HD12 LEU A 25 4.387 -5.801 -0.288 1.00 40.14 H new ATOM 0 HD13 LEU A 25 4.487 -6.627 -1.861 1.00 40.14 H new ATOM 0 HD21 LEU A 25 3.312 -9.324 -0.819 1.00 24.34 H new ATOM 0 HD22 LEU A 25 4.755 -9.262 -1.858 1.00 24.34 H new ATOM 0 HD23 LEU A 25 4.828 -10.085 -0.282 1.00 24.34 H new ATOM 415 N TYR A 26 9.323 -9.409 -0.516 1.00 5.21 N ATOM 416 CA TYR A 26 10.786 -9.384 -0.705 1.00 61.10 C ATOM 417 C TYR A 26 11.103 -9.203 -2.197 1.00 61.43 C ATOM 418 O TYR A 26 10.526 -9.896 -3.041 1.00 62.45 O ATOM 419 CB TYR A 26 11.403 -10.707 -0.158 1.00 44.32 C ATOM 420 CG TYR A 26 12.948 -10.731 -0.047 1.00 45.33 C ATOM 421 CD1 TYR A 26 13.762 -10.907 -1.170 1.00 20.31 C ATOM 422 CD2 TYR A 26 13.590 -10.586 1.188 1.00 73.21 C ATOM 423 CE1 TYR A 26 15.139 -10.931 -1.066 1.00 12.44 C ATOM 424 CE2 TYR A 26 14.967 -10.610 1.293 1.00 42.51 C ATOM 425 CZ TYR A 26 15.735 -10.786 0.163 1.00 43.14 C ATOM 426 OH TYR A 26 17.110 -10.821 0.270 1.00 14.32 O ATOM 0 H TYR A 26 8.835 -10.028 -1.163 1.00 5.21 H new ATOM 0 HA TYR A 26 11.221 -8.549 -0.155 1.00 61.10 H new ATOM 0 HB2 TYR A 26 10.983 -10.902 0.829 1.00 44.32 H new ATOM 0 HB3 TYR A 26 11.091 -11.527 -0.805 1.00 44.32 H new ATOM 0 HD1 TYR A 26 13.304 -11.027 -2.141 1.00 20.31 H new ATOM 0 HD2 TYR A 26 12.995 -10.452 2.079 1.00 73.21 H new ATOM 0 HE1 TYR A 26 15.746 -11.064 -1.949 1.00 12.44 H new ATOM 0 HE2 TYR A 26 15.440 -10.491 2.257 1.00 42.51 H new ATOM 0 HH TYR A 26 17.368 -10.702 1.208 1.00 14.32 H new ATOM 436 N ALA A 27 12.019 -8.274 -2.505 1.00 30.42 N ATOM 437 CA ALA A 27 12.529 -8.064 -3.866 1.00 34.34 C ATOM 438 C ALA A 27 13.907 -7.405 -3.802 1.00 21.43 C ATOM 439 O ALA A 27 14.209 -6.657 -2.862 1.00 3.12 O ATOM 440 CB ALA A 27 11.553 -7.210 -4.702 1.00 61.43 C ATOM 0 H ALA A 27 12.428 -7.645 -1.814 1.00 30.42 H new ATOM 0 HA ALA A 27 12.619 -9.033 -4.357 1.00 34.34 H new ATOM 0 HB1 ALA A 27 11.958 -7.072 -5.705 1.00 61.43 H new ATOM 0 HB2 ALA A 27 10.590 -7.716 -4.766 1.00 61.43 H new ATOM 0 HB3 ALA A 27 11.421 -6.238 -4.227 1.00 61.43 H new ATOM 446 N VAL A 28 14.730 -7.711 -4.811 1.00 71.23 N ATOM 447 CA VAL A 28 16.054 -7.107 -5.009 1.00 40.12 C ATOM 448 C VAL A 28 15.906 -5.589 -5.268 1.00 64.31 C ATOM 449 O VAL A 28 16.713 -4.784 -4.794 1.00 5.12 O ATOM 450 CB VAL A 28 16.808 -7.811 -6.204 1.00 63.54 C ATOM 451 CG1 VAL A 28 18.232 -7.256 -6.425 1.00 41.30 C ATOM 452 CG2 VAL A 28 16.842 -9.346 -6.008 1.00 34.25 C ATOM 0 H VAL A 28 14.491 -8.398 -5.526 1.00 71.23 H new ATOM 0 HA VAL A 28 16.648 -7.249 -4.106 1.00 40.12 H new ATOM 0 HB VAL A 28 16.240 -7.584 -7.106 1.00 63.54 H new ATOM 0 HG11 VAL A 28 18.701 -7.778 -7.259 1.00 41.30 H new ATOM 0 HG12 VAL A 28 18.177 -6.191 -6.649 1.00 41.30 H new ATOM 0 HG13 VAL A 28 18.825 -7.407 -5.523 1.00 41.30 H new ATOM 0 HG21 VAL A 28 17.367 -9.808 -6.844 1.00 34.25 H new ATOM 0 HG22 VAL A 28 17.360 -9.583 -5.079 1.00 34.25 H new ATOM 0 HG23 VAL A 28 15.823 -9.730 -5.963 1.00 34.25 H new ATOM 462 N ARG A 29 14.847 -5.212 -6.016 1.00 60.22 N ATOM 463 CA ARG A 29 14.499 -3.797 -6.284 1.00 71.14 C ATOM 464 C ARG A 29 13.013 -3.533 -5.987 1.00 34.34 C ATOM 465 O ARG A 29 12.158 -4.389 -6.228 1.00 3.00 O ATOM 466 CB ARG A 29 14.846 -3.386 -7.749 1.00 61.42 C ATOM 467 CG ARG A 29 16.365 -3.340 -8.049 1.00 55.25 C ATOM 468 CD ARG A 29 16.722 -2.613 -9.363 1.00 14.31 C ATOM 469 NE ARG A 29 18.183 -2.568 -9.567 1.00 64.21 N ATOM 470 CZ ARG A 29 18.892 -1.516 -10.013 1.00 71.43 C ATOM 471 NH1 ARG A 29 18.311 -0.365 -10.332 1.00 61.42 N ATOM 472 NH2 ARG A 29 20.206 -1.619 -10.094 1.00 74.32 N ATOM 0 H ARG A 29 14.209 -5.878 -6.451 1.00 60.22 H new ATOM 0 HA ARG A 29 15.101 -3.182 -5.616 1.00 71.14 H new ATOM 0 HB2 ARG A 29 14.372 -4.089 -8.434 1.00 61.42 H new ATOM 0 HB3 ARG A 29 14.417 -2.405 -7.951 1.00 61.42 H new ATOM 0 HG2 ARG A 29 16.874 -2.845 -7.222 1.00 55.25 H new ATOM 0 HG3 ARG A 29 16.747 -4.360 -8.094 1.00 55.25 H new ATOM 0 HD2 ARG A 29 16.250 -3.122 -10.203 1.00 14.31 H new ATOM 0 HD3 ARG A 29 16.324 -1.599 -9.340 1.00 14.31 H new ATOM 0 HE ARG A 29 18.705 -3.417 -9.349 1.00 64.21 H new ATOM 0 HH11 ARG A 29 17.300 -0.262 -10.241 1.00 61.42 H new ATOM 0 HH12 ARG A 29 18.876 0.415 -10.668 1.00 61.42 H new ATOM 0 HH21 ARG A 29 20.667 -2.487 -9.820 1.00 74.32 H new ATOM 0 HH22 ARG A 29 20.760 -0.831 -10.430 1.00 74.32 H new ATOM 486 N ASP A 30 12.723 -2.317 -5.489 1.00 4.44 N ATOM 487 CA ASP A 30 11.356 -1.867 -5.144 1.00 73.00 C ATOM 488 C ASP A 30 10.494 -1.667 -6.410 1.00 41.44 C ATOM 489 O ASP A 30 9.258 -1.729 -6.348 1.00 64.41 O ATOM 490 CB ASP A 30 11.418 -0.570 -4.281 1.00 44.31 C ATOM 491 CG ASP A 30 12.089 0.655 -4.962 1.00 62.11 C ATOM 492 OD1 ASP A 30 12.856 0.501 -5.942 1.00 14.04 O ATOM 493 OD2 ASP A 30 11.890 1.785 -4.473 1.00 41.13 O ATOM 0 H ASP A 30 13.436 -1.610 -5.312 1.00 4.44 H new ATOM 0 HA ASP A 30 10.875 -2.646 -4.552 1.00 73.00 H new ATOM 0 HB2 ASP A 30 10.402 -0.295 -3.997 1.00 44.31 H new ATOM 0 HB3 ASP A 30 11.957 -0.792 -3.360 1.00 44.31 H new ATOM 498 N GLU A 31 11.167 -1.442 -7.555 1.00 14.30 N ATOM 499 CA GLU A 31 10.523 -1.430 -8.882 1.00 20.01 C ATOM 500 C GLU A 31 9.845 -2.787 -9.173 1.00 41.15 C ATOM 501 O GLU A 31 8.769 -2.833 -9.763 1.00 12.11 O ATOM 502 CB GLU A 31 11.557 -1.111 -9.991 1.00 53.34 C ATOM 503 CG GLU A 31 12.237 0.266 -9.860 1.00 53.13 C ATOM 504 CD GLU A 31 11.273 1.471 -9.969 1.00 5.03 C ATOM 505 OE1 GLU A 31 10.542 1.579 -10.979 1.00 70.30 O ATOM 506 OE2 GLU A 31 11.250 2.322 -9.053 1.00 73.33 O ATOM 0 H GLU A 31 12.171 -1.264 -7.586 1.00 14.30 H new ATOM 0 HA GLU A 31 9.761 -0.650 -8.877 1.00 20.01 H new ATOM 0 HB2 GLU A 31 12.326 -1.883 -9.985 1.00 53.34 H new ATOM 0 HB3 GLU A 31 11.059 -1.165 -10.959 1.00 53.34 H new ATOM 0 HG2 GLU A 31 12.751 0.314 -8.900 1.00 53.13 H new ATOM 0 HG3 GLU A 31 12.999 0.356 -10.634 1.00 53.13 H new ATOM 513 N GLU A 32 10.497 -3.879 -8.741 1.00 75.44 N ATOM 514 CA GLU A 32 9.989 -5.255 -8.918 1.00 64.03 C ATOM 515 C GLU A 32 8.954 -5.617 -7.829 1.00 20.32 C ATOM 516 O GLU A 32 8.129 -6.519 -8.019 1.00 62.10 O ATOM 517 CB GLU A 32 11.175 -6.253 -8.891 1.00 3.40 C ATOM 518 CG GLU A 32 12.319 -5.922 -9.874 1.00 61.32 C ATOM 519 CD GLU A 32 11.878 -5.870 -11.349 1.00 51.04 C ATOM 520 OE1 GLU A 32 11.711 -6.940 -11.974 1.00 11.33 O ATOM 521 OE2 GLU A 32 11.703 -4.761 -11.897 1.00 15.13 O ATOM 0 H GLU A 32 11.394 -3.835 -8.257 1.00 75.44 H new ATOM 0 HA GLU A 32 9.486 -5.316 -9.883 1.00 64.03 H new ATOM 0 HB2 GLU A 32 11.581 -6.286 -7.880 1.00 3.40 H new ATOM 0 HB3 GLU A 32 10.798 -7.251 -9.116 1.00 3.40 H new ATOM 0 HG2 GLU A 32 12.753 -4.960 -9.601 1.00 61.32 H new ATOM 0 HG3 GLU A 32 13.105 -6.669 -9.766 1.00 61.32 H new ATOM 528 N LEU A 33 9.017 -4.897 -6.697 1.00 75.44 N ATOM 529 CA LEU A 33 8.093 -5.059 -5.548 1.00 5.55 C ATOM 530 C LEU A 33 6.675 -4.537 -5.919 1.00 63.10 C ATOM 531 O LEU A 33 5.682 -4.959 -5.318 1.00 13.31 O ATOM 532 CB LEU A 33 8.697 -4.304 -4.306 1.00 63.44 C ATOM 533 CG LEU A 33 8.353 -4.813 -2.856 1.00 10.23 C ATOM 534 CD1 LEU A 33 6.897 -4.540 -2.434 1.00 71.31 C ATOM 535 CD2 LEU A 33 8.709 -6.306 -2.681 1.00 64.03 C ATOM 0 H LEU A 33 9.720 -4.173 -6.546 1.00 75.44 H new ATOM 0 HA LEU A 33 7.984 -6.113 -5.293 1.00 5.55 H new ATOM 0 HB2 LEU A 33 9.782 -4.317 -4.410 1.00 63.44 H new ATOM 0 HB3 LEU A 33 8.383 -3.262 -4.371 1.00 63.44 H new ATOM 0 HG LEU A 33 8.979 -4.226 -2.184 1.00 10.23 H new ATOM 0 HD11 LEU A 33 6.734 -4.918 -1.425 1.00 71.31 H new ATOM 0 HD12 LEU A 33 6.707 -3.467 -2.455 1.00 71.31 H new ATOM 0 HD13 LEU A 33 6.218 -5.042 -3.124 1.00 71.31 H new ATOM 0 HD21 LEU A 33 8.458 -6.624 -1.669 1.00 64.03 H new ATOM 0 HD22 LEU A 33 8.144 -6.901 -3.398 1.00 64.03 H new ATOM 0 HD23 LEU A 33 9.776 -6.448 -2.852 1.00 64.03 H new ATOM 547 N LYS A 34 6.606 -3.640 -6.935 1.00 13.14 N ATOM 548 CA LYS A 34 5.344 -3.011 -7.404 1.00 22.35 C ATOM 549 C LYS A 34 4.246 -4.034 -7.738 1.00 35.44 C ATOM 550 O LYS A 34 3.126 -3.924 -7.235 1.00 62.43 O ATOM 551 CB LYS A 34 5.579 -2.145 -8.660 1.00 12.01 C ATOM 552 CG LYS A 34 6.450 -0.896 -8.457 1.00 43.45 C ATOM 553 CD LYS A 34 6.554 -0.062 -9.753 1.00 63.54 C ATOM 554 CE LYS A 34 5.179 0.429 -10.250 1.00 62.12 C ATOM 555 NZ LYS A 34 5.245 1.074 -11.589 1.00 64.41 N ATOM 0 H LYS A 34 7.428 -3.331 -7.454 1.00 13.14 H new ATOM 0 HA LYS A 34 5.009 -2.395 -6.569 1.00 22.35 H new ATOM 0 HB2 LYS A 34 6.042 -2.767 -9.426 1.00 12.01 H new ATOM 0 HB3 LYS A 34 4.610 -1.830 -9.048 1.00 12.01 H new ATOM 0 HG2 LYS A 34 6.028 -0.282 -7.661 1.00 43.45 H new ATOM 0 HG3 LYS A 34 7.447 -1.195 -8.134 1.00 43.45 H new ATOM 0 HD2 LYS A 34 7.202 0.797 -9.578 1.00 63.54 H new ATOM 0 HD3 LYS A 34 7.025 -0.663 -10.531 1.00 63.54 H new ATOM 0 HE2 LYS A 34 4.491 -0.415 -10.292 1.00 62.12 H new ATOM 0 HE3 LYS A 34 4.770 1.138 -9.530 1.00 62.12 H new ATOM 0 HZ1 LYS A 34 4.288 1.138 -11.991 1.00 64.41 H new ATOM 0 HZ2 LYS A 34 5.646 2.029 -11.495 1.00 64.41 H new ATOM 0 HZ3 LYS A 34 5.847 0.506 -12.219 1.00 64.41 H new ATOM 569 N GLU A 35 4.578 -5.013 -8.607 1.00 52.21 N ATOM 570 CA GLU A 35 3.614 -6.028 -9.073 1.00 63.24 C ATOM 571 C GLU A 35 3.067 -6.872 -7.907 1.00 5.33 C ATOM 572 O GLU A 35 1.899 -7.291 -7.936 1.00 2.42 O ATOM 573 CB GLU A 35 4.239 -6.892 -10.210 1.00 13.43 C ATOM 574 CG GLU A 35 5.570 -7.635 -9.894 1.00 4.23 C ATOM 575 CD GLU A 35 5.432 -9.008 -9.205 1.00 51.33 C ATOM 576 OE1 GLU A 35 4.376 -9.667 -9.348 1.00 10.20 O ATOM 577 OE2 GLU A 35 6.408 -9.464 -8.568 1.00 51.13 O ATOM 0 H GLU A 35 5.513 -5.120 -9.001 1.00 52.21 H new ATOM 0 HA GLU A 35 2.750 -5.516 -9.498 1.00 63.24 H new ATOM 0 HB2 GLU A 35 3.502 -7.635 -10.513 1.00 13.43 H new ATOM 0 HB3 GLU A 35 4.410 -6.245 -11.070 1.00 13.43 H new ATOM 0 HG2 GLU A 35 6.116 -7.772 -10.827 1.00 4.23 H new ATOM 0 HG3 GLU A 35 6.180 -6.992 -9.259 1.00 4.23 H new ATOM 584 N LYS A 36 3.896 -7.050 -6.858 1.00 51.32 N ATOM 585 CA LYS A 36 3.486 -7.735 -5.621 1.00 44.14 C ATOM 586 C LYS A 36 2.439 -6.901 -4.871 1.00 21.45 C ATOM 587 O LYS A 36 1.415 -7.432 -4.455 1.00 5.31 O ATOM 588 CB LYS A 36 4.708 -8.019 -4.709 1.00 3.02 C ATOM 589 CG LYS A 36 5.829 -8.796 -5.419 1.00 20.32 C ATOM 590 CD LYS A 36 6.973 -9.242 -4.485 1.00 43.11 C ATOM 591 CE LYS A 36 8.098 -9.947 -5.264 1.00 22.20 C ATOM 592 NZ LYS A 36 7.582 -11.039 -6.142 1.00 33.14 N ATOM 0 H LYS A 36 4.862 -6.724 -6.847 1.00 51.32 H new ATOM 0 HA LYS A 36 3.041 -8.692 -5.895 1.00 44.14 H new ATOM 0 HB2 LYS A 36 5.107 -7.073 -4.343 1.00 3.02 H new ATOM 0 HB3 LYS A 36 4.379 -8.585 -3.838 1.00 3.02 H new ATOM 0 HG2 LYS A 36 5.400 -9.677 -5.897 1.00 20.32 H new ATOM 0 HG3 LYS A 36 6.243 -8.173 -6.212 1.00 20.32 H new ATOM 0 HD2 LYS A 36 7.378 -8.374 -3.965 1.00 43.11 H new ATOM 0 HD3 LYS A 36 6.580 -9.915 -3.723 1.00 43.11 H new ATOM 0 HE2 LYS A 36 8.629 -9.215 -5.873 1.00 22.20 H new ATOM 0 HE3 LYS A 36 8.820 -10.361 -4.560 1.00 22.20 H new ATOM 0 HZ1 LYS A 36 8.367 -11.663 -6.418 1.00 33.14 H new ATOM 0 HZ2 LYS A 36 6.867 -11.590 -5.626 1.00 33.14 H new ATOM 0 HZ3 LYS A 36 7.153 -10.626 -6.994 1.00 33.14 H new ATOM 606 N LEU A 37 2.700 -5.581 -4.758 1.00 11.30 N ATOM 607 CA LEU A 37 1.779 -4.613 -4.124 1.00 1.15 C ATOM 608 C LEU A 37 0.415 -4.597 -4.823 1.00 64.23 C ATOM 609 O LEU A 37 -0.609 -4.614 -4.156 1.00 12.51 O ATOM 610 CB LEU A 37 2.380 -3.186 -4.153 1.00 74.12 C ATOM 611 CG LEU A 37 3.630 -2.960 -3.266 1.00 5.43 C ATOM 612 CD1 LEU A 37 4.243 -1.582 -3.541 1.00 41.31 C ATOM 613 CD2 LEU A 37 3.283 -3.126 -1.770 1.00 64.11 C ATOM 0 H LEU A 37 3.559 -5.155 -5.105 1.00 11.30 H new ATOM 0 HA LEU A 37 1.641 -4.930 -3.090 1.00 1.15 H new ATOM 0 HB2 LEU A 37 2.641 -2.943 -5.183 1.00 74.12 H new ATOM 0 HB3 LEU A 37 1.608 -2.481 -3.845 1.00 74.12 H new ATOM 0 HG LEU A 37 4.371 -3.718 -3.520 1.00 5.43 H new ATOM 0 HD11 LEU A 37 5.120 -1.441 -2.909 1.00 41.31 H new ATOM 0 HD12 LEU A 37 4.537 -1.517 -4.589 1.00 41.31 H new ATOM 0 HD13 LEU A 37 3.509 -0.807 -3.321 1.00 41.31 H new ATOM 0 HD21 LEU A 37 4.177 -2.962 -1.169 1.00 64.11 H new ATOM 0 HD22 LEU A 37 2.520 -2.399 -1.491 1.00 64.11 H new ATOM 0 HD23 LEU A 37 2.906 -4.134 -1.593 1.00 64.11 H new ATOM 625 N LYS A 38 0.431 -4.582 -6.170 1.00 13.41 N ATOM 626 CA LYS A 38 -0.789 -4.540 -6.991 1.00 75.41 C ATOM 627 C LYS A 38 -1.665 -5.777 -6.741 1.00 31.00 C ATOM 628 O LYS A 38 -2.870 -5.646 -6.497 1.00 5.03 O ATOM 629 CB LYS A 38 -0.424 -4.436 -8.493 1.00 2.20 C ATOM 630 CG LYS A 38 0.352 -3.161 -8.882 1.00 65.14 C ATOM 631 CD LYS A 38 0.645 -3.079 -10.397 1.00 34.13 C ATOM 632 CE LYS A 38 -0.643 -3.013 -11.243 1.00 63.53 C ATOM 633 NZ LYS A 38 -0.365 -3.104 -12.700 1.00 74.12 N ATOM 0 H LYS A 38 1.292 -4.599 -6.717 1.00 13.41 H new ATOM 0 HA LYS A 38 -1.359 -3.656 -6.704 1.00 75.41 H new ATOM 0 HB2 LYS A 38 0.172 -5.306 -8.769 1.00 2.20 H new ATOM 0 HB3 LYS A 38 -1.342 -4.479 -9.080 1.00 2.20 H new ATOM 0 HG2 LYS A 38 -0.222 -2.285 -8.579 1.00 65.14 H new ATOM 0 HG3 LYS A 38 1.293 -3.131 -8.332 1.00 65.14 H new ATOM 0 HD2 LYS A 38 1.255 -2.198 -10.599 1.00 34.13 H new ATOM 0 HD3 LYS A 38 1.230 -3.948 -10.699 1.00 34.13 H new ATOM 0 HE2 LYS A 38 -1.309 -3.825 -10.951 1.00 63.53 H new ATOM 0 HE3 LYS A 38 -1.166 -2.080 -11.033 1.00 63.53 H new ATOM 0 HZ1 LYS A 38 -1.263 -3.107 -13.225 1.00 74.12 H new ATOM 0 HZ2 LYS A 38 0.207 -2.287 -12.996 1.00 74.12 H new ATOM 0 HZ3 LYS A 38 0.155 -3.982 -12.900 1.00 74.12 H new ATOM 647 N LYS A 39 -1.031 -6.969 -6.757 1.00 21.30 N ATOM 648 CA LYS A 39 -1.722 -8.246 -6.494 1.00 31.00 C ATOM 649 C LYS A 39 -2.301 -8.277 -5.062 1.00 0.21 C ATOM 650 O LYS A 39 -3.495 -8.518 -4.882 1.00 64.44 O ATOM 651 CB LYS A 39 -0.758 -9.448 -6.709 1.00 4.10 C ATOM 652 CG LYS A 39 -0.270 -9.643 -8.161 1.00 14.53 C ATOM 653 CD LYS A 39 -1.423 -9.891 -9.166 1.00 50.33 C ATOM 654 CE LYS A 39 -0.916 -10.115 -10.599 1.00 30.31 C ATOM 655 NZ LYS A 39 -2.030 -10.319 -11.559 1.00 32.33 N ATOM 0 H LYS A 39 -0.035 -7.071 -6.951 1.00 21.30 H new ATOM 0 HA LYS A 39 -2.548 -8.330 -7.201 1.00 31.00 H new ATOM 0 HB2 LYS A 39 0.111 -9.317 -6.064 1.00 4.10 H new ATOM 0 HB3 LYS A 39 -1.260 -10.359 -6.385 1.00 4.10 H new ATOM 0 HG2 LYS A 39 0.289 -8.760 -8.471 1.00 14.53 H new ATOM 0 HG3 LYS A 39 0.420 -10.486 -8.195 1.00 14.53 H new ATOM 0 HD2 LYS A 39 -1.998 -10.761 -8.847 1.00 50.33 H new ATOM 0 HD3 LYS A 39 -2.102 -9.038 -9.153 1.00 50.33 H new ATOM 0 HE2 LYS A 39 -0.321 -9.257 -10.911 1.00 30.31 H new ATOM 0 HE3 LYS A 39 -0.257 -10.983 -10.619 1.00 30.31 H new ATOM 0 HZ1 LYS A 39 -1.643 -10.466 -12.513 1.00 32.33 H new ATOM 0 HZ2 LYS A 39 -2.583 -11.153 -11.277 1.00 32.33 H new ATOM 0 HZ3 LYS A 39 -2.645 -9.480 -11.560 1.00 32.33 H new ATOM 669 N VAL A 40 -1.434 -7.988 -4.075 1.00 72.00 N ATOM 670 CA VAL A 40 -1.764 -7.984 -2.633 1.00 31.22 C ATOM 671 C VAL A 40 -2.917 -7.008 -2.291 1.00 34.25 C ATOM 672 O VAL A 40 -3.810 -7.348 -1.506 1.00 15.05 O ATOM 673 CB VAL A 40 -0.459 -7.651 -1.790 1.00 23.23 C ATOM 674 CG1 VAL A 40 -0.768 -7.222 -0.345 1.00 22.54 C ATOM 675 CG2 VAL A 40 0.524 -8.853 -1.801 1.00 43.31 C ATOM 0 H VAL A 40 -0.461 -7.745 -4.259 1.00 72.00 H new ATOM 0 HA VAL A 40 -2.121 -8.979 -2.367 1.00 31.22 H new ATOM 0 HB VAL A 40 0.012 -6.797 -2.276 1.00 23.23 H new ATOM 0 HG11 VAL A 40 0.164 -7.009 0.178 1.00 22.54 H new ATOM 0 HG12 VAL A 40 -1.391 -6.328 -0.356 1.00 22.54 H new ATOM 0 HG13 VAL A 40 -1.296 -8.026 0.168 1.00 22.54 H new ATOM 0 HG21 VAL A 40 1.410 -8.603 -1.218 1.00 43.31 H new ATOM 0 HG22 VAL A 40 0.037 -9.725 -1.365 1.00 43.31 H new ATOM 0 HG23 VAL A 40 0.816 -9.075 -2.828 1.00 43.31 H new ATOM 685 N LEU A 41 -2.887 -5.811 -2.895 1.00 61.30 N ATOM 686 CA LEU A 41 -3.913 -4.769 -2.684 1.00 51.44 C ATOM 687 C LEU A 41 -5.246 -5.173 -3.327 1.00 14.52 C ATOM 688 O LEU A 41 -6.301 -4.921 -2.755 1.00 41.03 O ATOM 689 CB LEU A 41 -3.410 -3.395 -3.219 1.00 61.32 C ATOM 690 CG LEU A 41 -2.376 -2.655 -2.301 1.00 21.44 C ATOM 691 CD1 LEU A 41 -1.667 -1.508 -3.050 1.00 43.24 C ATOM 692 CD2 LEU A 41 -3.058 -2.134 -1.017 1.00 52.45 C ATOM 0 H LEU A 41 -2.151 -5.534 -3.545 1.00 61.30 H new ATOM 0 HA LEU A 41 -4.089 -4.667 -1.613 1.00 51.44 H new ATOM 0 HB2 LEU A 41 -2.956 -3.549 -4.198 1.00 61.32 H new ATOM 0 HB3 LEU A 41 -4.272 -2.744 -3.366 1.00 61.32 H new ATOM 0 HG LEU A 41 -1.613 -3.380 -2.016 1.00 21.44 H new ATOM 0 HD11 LEU A 41 -0.959 -1.020 -2.381 1.00 43.24 H new ATOM 0 HD12 LEU A 41 -1.134 -1.911 -3.911 1.00 43.24 H new ATOM 0 HD13 LEU A 41 -2.407 -0.782 -3.388 1.00 43.24 H new ATOM 0 HD21 LEU A 41 -2.322 -1.624 -0.395 1.00 52.45 H new ATOM 0 HD22 LEU A 41 -3.852 -1.437 -1.284 1.00 52.45 H new ATOM 0 HD23 LEU A 41 -3.482 -2.972 -0.464 1.00 52.45 H new ATOM 704 N ASN A 42 -5.188 -5.820 -4.507 1.00 23.04 N ATOM 705 CA ASN A 42 -6.395 -6.343 -5.186 1.00 10.14 C ATOM 706 C ASN A 42 -7.019 -7.514 -4.404 1.00 3.51 C ATOM 707 O ASN A 42 -8.237 -7.632 -4.368 1.00 31.11 O ATOM 708 CB ASN A 42 -6.095 -6.767 -6.665 1.00 44.53 C ATOM 709 CG ASN A 42 -6.327 -5.626 -7.664 1.00 52.51 C ATOM 710 OD1 ASN A 42 -7.440 -5.441 -8.156 1.00 55.34 O ATOM 711 ND2 ASN A 42 -5.295 -4.868 -7.987 1.00 51.31 N ATOM 0 H ASN A 42 -4.319 -5.994 -5.012 1.00 23.04 H new ATOM 0 HA ASN A 42 -7.119 -5.528 -5.214 1.00 10.14 H new ATOM 0 HB2 ASN A 42 -5.062 -7.106 -6.740 1.00 44.53 H new ATOM 0 HB3 ASN A 42 -6.728 -7.613 -6.932 1.00 44.53 H new ATOM 0 HD21 ASN A 42 -5.410 -4.109 -8.658 1.00 51.31 H new ATOM 0 HD22 ASN A 42 -4.383 -5.042 -7.565 1.00 51.31 H new ATOM 718 N GLU A 43 -6.175 -8.356 -3.776 1.00 1.50 N ATOM 719 CA GLU A 43 -6.628 -9.528 -2.988 1.00 33.43 C ATOM 720 C GLU A 43 -7.256 -9.082 -1.657 1.00 2.43 C ATOM 721 O GLU A 43 -8.327 -9.571 -1.279 1.00 1.51 O ATOM 722 CB GLU A 43 -5.452 -10.512 -2.735 1.00 61.44 C ATOM 723 CG GLU A 43 -4.927 -11.205 -4.008 1.00 0.12 C ATOM 724 CD GLU A 43 -3.710 -12.100 -3.744 1.00 50.23 C ATOM 725 OE1 GLU A 43 -3.893 -13.286 -3.394 1.00 73.34 O ATOM 726 OE2 GLU A 43 -2.563 -11.615 -3.882 1.00 14.22 O ATOM 0 H GLU A 43 -5.161 -8.246 -3.798 1.00 1.50 H new ATOM 0 HA GLU A 43 -7.390 -10.049 -3.567 1.00 33.43 H new ATOM 0 HB2 GLU A 43 -4.632 -9.968 -2.266 1.00 61.44 H new ATOM 0 HB3 GLU A 43 -5.776 -11.274 -2.026 1.00 61.44 H new ATOM 0 HG2 GLU A 43 -5.725 -11.806 -4.444 1.00 0.12 H new ATOM 0 HG3 GLU A 43 -4.661 -10.447 -4.744 1.00 0.12 H new ATOM 733 N ARG A 44 -6.577 -8.139 -0.972 1.00 73.24 N ATOM 734 CA ARG A 44 -7.061 -7.523 0.282 1.00 1.15 C ATOM 735 C ARG A 44 -8.402 -6.809 0.041 1.00 1.43 C ATOM 736 O ARG A 44 -9.329 -6.900 0.866 1.00 34.24 O ATOM 737 CB ARG A 44 -6.005 -6.512 0.829 1.00 41.33 C ATOM 738 CG ARG A 44 -6.408 -5.712 2.108 1.00 73.10 C ATOM 739 CD ARG A 44 -6.493 -6.552 3.402 1.00 54.10 C ATOM 740 NE ARG A 44 -7.629 -7.499 3.409 1.00 45.53 N ATOM 741 CZ ARG A 44 -7.710 -8.606 4.171 1.00 42.55 C ATOM 742 NH1 ARG A 44 -6.729 -8.938 5.002 1.00 73.23 N ATOM 743 NH2 ARG A 44 -8.777 -9.385 4.089 1.00 13.44 N ATOM 0 H ARG A 44 -5.671 -7.781 -1.275 1.00 73.24 H new ATOM 0 HA ARG A 44 -7.210 -8.309 1.022 1.00 1.15 H new ATOM 0 HB2 ARG A 44 -5.087 -7.059 1.043 1.00 41.33 H new ATOM 0 HB3 ARG A 44 -5.774 -5.798 0.038 1.00 41.33 H new ATOM 0 HG2 ARG A 44 -5.685 -4.910 2.260 1.00 73.10 H new ATOM 0 HG3 ARG A 44 -7.375 -5.241 1.934 1.00 73.10 H new ATOM 0 HD2 ARG A 44 -5.564 -7.108 3.528 1.00 54.10 H new ATOM 0 HD3 ARG A 44 -6.582 -5.882 4.257 1.00 54.10 H new ATOM 0 HE ARG A 44 -8.413 -7.298 2.788 1.00 45.53 H new ATOM 0 HH11 ARG A 44 -5.898 -8.351 5.070 1.00 73.23 H new ATOM 0 HH12 ARG A 44 -6.807 -9.780 5.572 1.00 73.23 H new ATOM 0 HH21 ARG A 44 -9.535 -9.146 3.450 1.00 13.44 H new ATOM 0 HH22 ARG A 44 -8.841 -10.224 4.665 1.00 13.44 H new ATOM 757 N MET A 45 -8.492 -6.113 -1.103 1.00 12.13 N ATOM 758 CA MET A 45 -9.685 -5.339 -1.477 1.00 61.41 C ATOM 759 C MET A 45 -10.669 -6.141 -2.331 1.00 31.04 C ATOM 760 O MET A 45 -11.704 -5.605 -2.708 1.00 53.34 O ATOM 761 CB MET A 45 -9.294 -4.026 -2.190 1.00 51.44 C ATOM 762 CG MET A 45 -8.462 -3.066 -1.324 1.00 35.34 C ATOM 763 SD MET A 45 -8.328 -1.433 -2.055 1.00 33.51 S ATOM 764 CE MET A 45 -10.052 -0.927 -2.125 1.00 41.21 C ATOM 0 H MET A 45 -7.742 -6.071 -1.793 1.00 12.13 H new ATOM 0 HA MET A 45 -10.197 -5.095 -0.546 1.00 61.41 H new ATOM 0 HB2 MET A 45 -8.729 -4.268 -3.090 1.00 51.44 H new ATOM 0 HB3 MET A 45 -10.202 -3.515 -2.511 1.00 51.44 H new ATOM 0 HG2 MET A 45 -8.917 -2.984 -0.337 1.00 35.34 H new ATOM 0 HG3 MET A 45 -7.464 -3.481 -1.181 1.00 35.34 H new ATOM 0 HE1 MET A 45 -10.111 0.124 -2.407 1.00 41.21 H new ATOM 0 HE2 MET A 45 -10.579 -1.531 -2.864 1.00 41.21 H new ATOM 0 HE3 MET A 45 -10.512 -1.067 -1.147 1.00 41.21 H new ATOM 774 N ASP A 46 -10.385 -7.429 -2.590 1.00 71.53 N ATOM 775 CA ASP A 46 -11.292 -8.291 -3.380 1.00 14.41 C ATOM 776 C ASP A 46 -12.640 -8.520 -2.644 1.00 51.25 C ATOM 777 O ASP A 46 -13.698 -8.288 -3.254 1.00 32.14 O ATOM 778 CB ASP A 46 -10.624 -9.636 -3.770 1.00 54.44 C ATOM 779 CG ASP A 46 -11.455 -10.429 -4.789 1.00 54.43 C ATOM 780 OD1 ASP A 46 -12.364 -11.165 -4.392 1.00 34.24 O ATOM 781 OD2 ASP A 46 -11.216 -10.289 -6.001 1.00 60.24 O ATOM 0 H ASP A 46 -9.539 -7.898 -2.267 1.00 71.53 H new ATOM 0 HA ASP A 46 -11.507 -7.761 -4.308 1.00 14.41 H new ATOM 0 HB2 ASP A 46 -9.635 -9.440 -4.185 1.00 54.44 H new ATOM 0 HB3 ASP A 46 -10.480 -10.240 -2.874 1.00 54.44 H new ATOM 786 N PRO A 47 -12.660 -8.921 -1.314 1.00 25.43 N ATOM 787 CA PRO A 47 -13.930 -8.984 -0.543 1.00 2.03 C ATOM 788 C PRO A 47 -14.574 -7.592 -0.388 1.00 43.05 C ATOM 789 O PRO A 47 -15.792 -7.484 -0.337 1.00 41.03 O ATOM 790 CB PRO A 47 -13.514 -9.571 0.831 1.00 55.22 C ATOM 791 CG PRO A 47 -12.054 -9.253 0.949 1.00 33.40 C ATOM 792 CD PRO A 47 -11.510 -9.358 -0.456 1.00 21.42 C ATOM 0 HA PRO A 47 -14.684 -9.591 -1.044 1.00 2.03 H new ATOM 0 HB2 PRO A 47 -14.085 -9.122 1.644 1.00 55.22 H new ATOM 0 HB3 PRO A 47 -13.691 -10.646 0.873 1.00 55.22 H new ATOM 0 HG2 PRO A 47 -11.901 -8.254 1.357 1.00 33.40 H new ATOM 0 HG3 PRO A 47 -11.552 -9.951 1.619 1.00 33.40 H new ATOM 0 HD2 PRO A 47 -10.639 -8.718 -0.597 1.00 21.42 H new ATOM 0 HD3 PRO A 47 -11.199 -10.376 -0.690 1.00 21.42 H new ATOM 800 N ILE A 48 -13.733 -6.537 -0.411 1.00 71.23 N ATOM 801 CA ILE A 48 -14.143 -5.144 -0.142 1.00 72.43 C ATOM 802 C ILE A 48 -14.935 -4.563 -1.343 1.00 4.42 C ATOM 803 O ILE A 48 -15.879 -3.773 -1.163 1.00 43.41 O ATOM 804 CB ILE A 48 -12.869 -4.268 0.165 1.00 51.34 C ATOM 805 CG1 ILE A 48 -12.014 -4.900 1.321 1.00 22.21 C ATOM 806 CG2 ILE A 48 -13.221 -2.798 0.464 1.00 3.02 C ATOM 807 CD1 ILE A 48 -12.736 -5.126 2.637 1.00 70.12 C ATOM 0 H ILE A 48 -12.739 -6.630 -0.619 1.00 71.23 H new ATOM 0 HA ILE A 48 -14.800 -5.129 0.728 1.00 72.43 H new ATOM 0 HB ILE A 48 -12.263 -4.263 -0.741 1.00 51.34 H new ATOM 0 HG12 ILE A 48 -11.623 -5.857 0.975 1.00 22.21 H new ATOM 0 HG13 ILE A 48 -11.156 -4.253 1.507 1.00 22.21 H new ATOM 0 HG21 ILE A 48 -12.308 -2.240 0.669 1.00 3.02 H new ATOM 0 HG22 ILE A 48 -13.727 -2.363 -0.398 1.00 3.02 H new ATOM 0 HG23 ILE A 48 -13.877 -2.751 1.333 1.00 3.02 H new ATOM 0 HD11 ILE A 48 -12.048 -5.566 3.359 1.00 70.12 H new ATOM 0 HD12 ILE A 48 -13.103 -4.173 3.019 1.00 70.12 H new ATOM 0 HD13 ILE A 48 -13.577 -5.802 2.479 1.00 70.12 H new ATOM 819 N LYS A 49 -14.554 -4.988 -2.567 1.00 41.11 N ATOM 820 CA LYS A 49 -15.241 -4.590 -3.814 1.00 15.34 C ATOM 821 C LYS A 49 -16.585 -5.318 -3.930 1.00 4.14 C ATOM 822 O LYS A 49 -17.554 -4.787 -4.488 1.00 22.02 O ATOM 823 CB LYS A 49 -14.346 -4.866 -5.055 1.00 41.31 C ATOM 824 CG LYS A 49 -13.017 -4.076 -5.058 1.00 52.03 C ATOM 825 CD LYS A 49 -12.059 -4.472 -6.207 1.00 73.50 C ATOM 826 CE LYS A 49 -10.674 -3.806 -6.061 1.00 31.11 C ATOM 827 NZ LYS A 49 -9.767 -4.109 -7.204 1.00 62.24 N ATOM 0 H LYS A 49 -13.764 -5.615 -2.718 1.00 41.11 H new ATOM 0 HA LYS A 49 -15.431 -3.517 -3.779 1.00 15.34 H new ATOM 0 HB2 LYS A 49 -14.124 -5.932 -5.100 1.00 41.31 H new ATOM 0 HB3 LYS A 49 -14.906 -4.619 -5.957 1.00 41.31 H new ATOM 0 HG2 LYS A 49 -13.238 -3.011 -5.132 1.00 52.03 H new ATOM 0 HG3 LYS A 49 -12.511 -4.231 -4.105 1.00 52.03 H new ATOM 0 HD2 LYS A 49 -11.940 -5.555 -6.223 1.00 73.50 H new ATOM 0 HD3 LYS A 49 -12.500 -4.186 -7.162 1.00 73.50 H new ATOM 0 HE2 LYS A 49 -10.801 -2.727 -5.980 1.00 31.11 H new ATOM 0 HE3 LYS A 49 -10.209 -4.143 -5.134 1.00 31.11 H new ATOM 0 HZ1 LYS A 49 -9.013 -4.752 -6.888 1.00 62.24 H new ATOM 0 HZ2 LYS A 49 -10.310 -4.560 -7.968 1.00 62.24 H new ATOM 0 HZ3 LYS A 49 -9.344 -3.226 -7.555 1.00 62.24 H new ATOM 841 N LYS A 50 -16.620 -6.539 -3.378 1.00 3.30 N ATOM 842 CA LYS A 50 -17.830 -7.368 -3.302 1.00 44.12 C ATOM 843 C LYS A 50 -18.757 -6.835 -2.182 1.00 63.21 C ATOM 844 O LYS A 50 -19.977 -6.958 -2.270 1.00 2.31 O ATOM 845 CB LYS A 50 -17.395 -8.846 -3.077 1.00 63.14 C ATOM 846 CG LYS A 50 -18.459 -9.950 -3.353 1.00 0.13 C ATOM 847 CD LYS A 50 -19.509 -10.148 -2.233 1.00 24.10 C ATOM 848 CE LYS A 50 -18.874 -10.434 -0.861 1.00 61.02 C ATOM 849 NZ LYS A 50 -17.955 -11.591 -0.908 1.00 73.31 N ATOM 0 H LYS A 50 -15.799 -6.983 -2.967 1.00 3.30 H new ATOM 0 HA LYS A 50 -18.403 -7.322 -4.228 1.00 44.12 H new ATOM 0 HB2 LYS A 50 -16.530 -9.044 -3.710 1.00 63.14 H new ATOM 0 HB3 LYS A 50 -17.063 -8.947 -2.044 1.00 63.14 H new ATOM 0 HG2 LYS A 50 -18.980 -9.706 -4.279 1.00 0.13 H new ATOM 0 HG3 LYS A 50 -17.943 -10.896 -3.517 1.00 0.13 H new ATOM 0 HD2 LYS A 50 -20.129 -9.255 -2.161 1.00 24.10 H new ATOM 0 HD3 LYS A 50 -20.168 -10.973 -2.502 1.00 24.10 H new ATOM 0 HE2 LYS A 50 -18.330 -9.552 -0.522 1.00 61.02 H new ATOM 0 HE3 LYS A 50 -19.660 -10.624 -0.130 1.00 61.02 H new ATOM 0 HZ1 LYS A 50 -17.654 -11.835 0.057 1.00 73.31 H new ATOM 0 HZ2 LYS A 50 -18.443 -12.405 -1.334 1.00 73.31 H new ATOM 0 HZ3 LYS A 50 -17.121 -11.349 -1.480 1.00 73.31 H new ATOM 863 N LEU A 51 -18.156 -6.217 -1.144 1.00 33.02 N ATOM 864 CA LEU A 51 -18.912 -5.539 -0.066 1.00 1.40 C ATOM 865 C LEU A 51 -19.527 -4.241 -0.622 1.00 24.21 C ATOM 866 O LEU A 51 -20.622 -3.842 -0.221 1.00 23.32 O ATOM 867 CB LEU A 51 -18.003 -5.242 1.170 1.00 3.54 C ATOM 868 CG LEU A 51 -17.529 -6.487 1.998 1.00 33.22 C ATOM 869 CD1 LEU A 51 -16.497 -6.100 3.081 1.00 41.15 C ATOM 870 CD2 LEU A 51 -18.725 -7.247 2.609 1.00 54.22 C ATOM 0 H LEU A 51 -17.144 -6.173 -1.028 1.00 33.02 H new ATOM 0 HA LEU A 51 -19.708 -6.200 0.276 1.00 1.40 H new ATOM 0 HB2 LEU A 51 -17.120 -4.705 0.824 1.00 3.54 H new ATOM 0 HB3 LEU A 51 -18.543 -4.572 1.839 1.00 3.54 H new ATOM 0 HG LEU A 51 -17.029 -7.161 1.303 1.00 33.22 H new ATOM 0 HD11 LEU A 51 -16.195 -6.991 3.631 1.00 41.15 H new ATOM 0 HD12 LEU A 51 -15.623 -5.653 2.607 1.00 41.15 H new ATOM 0 HD13 LEU A 51 -16.944 -5.383 3.769 1.00 41.15 H new ATOM 0 HD21 LEU A 51 -18.360 -8.104 3.176 1.00 54.22 H new ATOM 0 HD22 LEU A 51 -19.278 -6.582 3.272 1.00 54.22 H new ATOM 0 HD23 LEU A 51 -19.382 -7.593 1.811 1.00 54.22 H new ATOM 882 N GLY A 52 -18.815 -3.618 -1.583 1.00 11.22 N ATOM 883 CA GLY A 52 -19.262 -2.377 -2.210 1.00 12.52 C ATOM 884 C GLY A 52 -19.074 -1.173 -1.306 1.00 4.11 C ATOM 885 O GLY A 52 -19.946 -0.301 -1.223 1.00 72.42 O ATOM 0 H GLY A 52 -17.923 -3.964 -1.937 1.00 11.22 H new ATOM 0 HA2 GLY A 52 -18.710 -2.222 -3.137 1.00 12.52 H new ATOM 0 HA3 GLY A 52 -20.315 -2.467 -2.477 1.00 12.52 H new ATOM 889 N CYS A 53 -17.933 -1.144 -0.597 1.00 21.43 N ATOM 890 CA CYS A 53 -17.546 -0.004 0.240 1.00 65.11 C ATOM 891 C CYS A 53 -17.147 1.181 -0.661 1.00 15.22 C ATOM 892 O CYS A 53 -16.016 1.241 -1.146 1.00 73.34 O ATOM 893 CB CYS A 53 -16.428 -0.414 1.221 1.00 32.31 C ATOM 894 SG CYS A 53 -17.026 -1.503 2.553 1.00 73.23 S ATOM 0 H CYS A 53 -17.258 -1.909 -0.590 1.00 21.43 H new ATOM 0 HA CYS A 53 -18.390 0.318 0.850 1.00 65.11 H new ATOM 0 HB2 CYS A 53 -15.636 -0.921 0.671 1.00 32.31 H new ATOM 0 HB3 CYS A 53 -15.988 0.482 1.660 1.00 32.31 H new ATOM 899 N LYS A 54 -18.127 2.095 -0.869 1.00 32.33 N ATOM 900 CA LYS A 54 -18.082 3.211 -1.853 1.00 31.22 C ATOM 901 C LYS A 54 -16.795 4.050 -1.736 1.00 11.13 C ATOM 902 O LYS A 54 -16.205 4.464 -2.741 1.00 14.43 O ATOM 903 CB LYS A 54 -19.321 4.133 -1.654 1.00 71.40 C ATOM 904 CG LYS A 54 -20.691 3.408 -1.656 1.00 2.41 C ATOM 905 CD LYS A 54 -21.867 4.377 -1.364 1.00 22.04 C ATOM 906 CE LYS A 54 -23.203 3.648 -1.141 1.00 73.41 C ATOM 907 NZ LYS A 54 -23.637 2.859 -2.322 1.00 70.11 N ATOM 0 H LYS A 54 -18.999 2.077 -0.341 1.00 32.33 H new ATOM 0 HA LYS A 54 -18.093 2.766 -2.848 1.00 31.22 H new ATOM 0 HB2 LYS A 54 -19.210 4.664 -0.709 1.00 71.40 H new ATOM 0 HB3 LYS A 54 -19.325 4.885 -2.443 1.00 71.40 H new ATOM 0 HG2 LYS A 54 -20.847 2.932 -2.624 1.00 2.41 H new ATOM 0 HG3 LYS A 54 -20.682 2.615 -0.908 1.00 2.41 H new ATOM 0 HD2 LYS A 54 -21.631 4.971 -0.481 1.00 22.04 H new ATOM 0 HD3 LYS A 54 -21.973 5.073 -2.196 1.00 22.04 H new ATOM 0 HE2 LYS A 54 -23.109 2.984 -0.282 1.00 73.41 H new ATOM 0 HE3 LYS A 54 -23.973 4.379 -0.896 1.00 73.41 H new ATOM 0 HZ1 LYS A 54 -24.542 2.391 -2.113 1.00 70.11 H new ATOM 0 HZ2 LYS A 54 -23.755 3.492 -3.138 1.00 70.11 H new ATOM 0 HZ3 LYS A 54 -22.918 2.140 -2.543 1.00 70.11 H new ATOM 921 N ARG A 55 -16.376 4.279 -0.494 1.00 52.11 N ATOM 922 CA ARG A 55 -15.165 5.039 -0.167 1.00 43.11 C ATOM 923 C ARG A 55 -14.395 4.256 0.903 1.00 24.11 C ATOM 924 O ARG A 55 -14.987 3.827 1.898 1.00 41.32 O ATOM 925 CB ARG A 55 -15.540 6.451 0.359 1.00 24.54 C ATOM 926 CG ARG A 55 -14.333 7.392 0.602 1.00 43.52 C ATOM 927 CD ARG A 55 -14.695 8.619 1.463 1.00 53.21 C ATOM 928 NE ARG A 55 -15.057 8.221 2.839 1.00 35.34 N ATOM 929 CZ ARG A 55 -14.531 8.722 3.972 1.00 53.11 C ATOM 930 NH1 ARG A 55 -13.592 9.665 3.942 1.00 41.25 N ATOM 931 NH2 ARG A 55 -14.945 8.248 5.135 1.00 33.32 N ATOM 0 H ARG A 55 -16.874 3.938 0.329 1.00 52.11 H new ATOM 0 HA ARG A 55 -14.548 5.170 -1.056 1.00 43.11 H new ATOM 0 HB2 ARG A 55 -16.214 6.923 -0.356 1.00 24.54 H new ATOM 0 HB3 ARG A 55 -16.092 6.342 1.293 1.00 24.54 H new ATOM 0 HG2 ARG A 55 -13.535 6.833 1.091 1.00 43.52 H new ATOM 0 HG3 ARG A 55 -13.943 7.730 -0.358 1.00 43.52 H new ATOM 0 HD2 ARG A 55 -13.851 9.308 1.492 1.00 53.21 H new ATOM 0 HD3 ARG A 55 -15.527 9.154 1.006 1.00 53.21 H new ATOM 0 HE ARG A 55 -15.771 7.500 2.940 1.00 35.34 H new ATOM 0 HH11 ARG A 55 -13.257 10.023 3.048 1.00 41.25 H new ATOM 0 HH12 ARG A 55 -13.208 10.030 4.814 1.00 41.25 H new ATOM 0 HH21 ARG A 55 -15.653 7.514 5.164 1.00 33.32 H new ATOM 0 HH22 ARG A 55 -14.557 8.617 6.003 1.00 33.32 H new ATOM 945 N VAL A 56 -13.090 4.052 0.697 1.00 44.15 N ATOM 946 CA VAL A 56 -12.238 3.291 1.636 1.00 44.24 C ATOM 947 C VAL A 56 -11.027 4.133 2.075 1.00 33.41 C ATOM 948 O VAL A 56 -10.504 4.937 1.295 1.00 11.34 O ATOM 949 CB VAL A 56 -11.749 1.934 1.000 1.00 71.44 C ATOM 950 CG1 VAL A 56 -12.929 0.958 0.774 1.00 21.34 C ATOM 951 CG2 VAL A 56 -10.966 2.174 -0.315 1.00 62.21 C ATOM 0 H VAL A 56 -12.590 4.405 -0.119 1.00 44.15 H new ATOM 0 HA VAL A 56 -12.844 3.057 2.512 1.00 44.24 H new ATOM 0 HB VAL A 56 -11.066 1.470 1.712 1.00 71.44 H new ATOM 0 HG11 VAL A 56 -12.557 0.033 0.334 1.00 21.34 H new ATOM 0 HG12 VAL A 56 -13.408 0.739 1.728 1.00 21.34 H new ATOM 0 HG13 VAL A 56 -13.654 1.414 0.100 1.00 21.34 H new ATOM 0 HG21 VAL A 56 -10.644 1.217 -0.726 1.00 62.21 H new ATOM 0 HG22 VAL A 56 -11.610 2.680 -1.035 1.00 62.21 H new ATOM 0 HG23 VAL A 56 -10.093 2.794 -0.111 1.00 62.21 H new ATOM 961 N ARG A 57 -10.610 3.954 3.339 1.00 23.31 N ATOM 962 CA ARG A 57 -9.360 4.522 3.869 1.00 2.41 C ATOM 963 C ARG A 57 -8.324 3.393 3.970 1.00 4.33 C ATOM 964 O ARG A 57 -8.472 2.501 4.807 1.00 32.14 O ATOM 965 CB ARG A 57 -9.585 5.173 5.266 1.00 42.13 C ATOM 966 CG ARG A 57 -8.278 5.619 5.967 1.00 61.33 C ATOM 967 CD ARG A 57 -8.487 6.265 7.348 1.00 4.22 C ATOM 968 NE ARG A 57 -7.187 6.533 7.995 1.00 12.42 N ATOM 969 CZ ARG A 57 -6.814 7.682 8.580 1.00 74.43 C ATOM 970 NH1 ARG A 57 -7.631 8.728 8.639 1.00 54.23 N ATOM 971 NH2 ARG A 57 -5.590 7.784 9.076 1.00 51.04 N ATOM 0 H ARG A 57 -11.133 3.409 4.025 1.00 23.31 H new ATOM 0 HA ARG A 57 -9.005 5.305 3.198 1.00 2.41 H new ATOM 0 HB2 ARG A 57 -10.238 6.038 5.152 1.00 42.13 H new ATOM 0 HB3 ARG A 57 -10.106 4.462 5.908 1.00 42.13 H new ATOM 0 HG2 ARG A 57 -7.626 4.753 6.079 1.00 61.33 H new ATOM 0 HG3 ARG A 57 -7.758 6.328 5.323 1.00 61.33 H new ATOM 0 HD2 ARG A 57 -9.045 7.195 7.240 1.00 4.22 H new ATOM 0 HD3 ARG A 57 -9.084 5.606 7.978 1.00 4.22 H new ATOM 0 HE ARG A 57 -6.508 5.772 7.998 1.00 12.42 H new ATOM 0 HH11 ARG A 57 -8.565 8.669 8.234 1.00 54.23 H new ATOM 0 HH12 ARG A 57 -7.324 9.590 9.089 1.00 54.23 H new ATOM 0 HH21 ARG A 57 -4.946 6.996 9.010 1.00 51.04 H new ATOM 0 HH22 ARG A 57 -5.292 8.651 9.524 1.00 51.04 H new ATOM 985 N ILE A 58 -7.313 3.417 3.090 1.00 71.24 N ATOM 986 CA ILE A 58 -6.203 2.452 3.120 1.00 41.23 C ATOM 987 C ILE A 58 -4.982 3.140 3.764 1.00 70.22 C ATOM 988 O ILE A 58 -4.331 3.969 3.127 1.00 0.31 O ATOM 989 CB ILE A 58 -5.836 1.961 1.662 1.00 1.40 C ATOM 990 CG1 ILE A 58 -7.114 1.501 0.888 1.00 70.22 C ATOM 991 CG2 ILE A 58 -4.778 0.824 1.705 1.00 74.22 C ATOM 992 CD1 ILE A 58 -6.888 1.200 -0.583 1.00 50.44 C ATOM 0 H ILE A 58 -7.241 4.104 2.339 1.00 71.24 H new ATOM 0 HA ILE A 58 -6.500 1.578 3.699 1.00 41.23 H new ATOM 0 HB ILE A 58 -5.401 2.805 1.126 1.00 1.40 H new ATOM 0 HG12 ILE A 58 -7.514 0.609 1.371 1.00 70.22 H new ATOM 0 HG13 ILE A 58 -7.874 2.278 0.974 1.00 70.22 H new ATOM 0 HG21 ILE A 58 -4.544 0.506 0.689 1.00 74.22 H new ATOM 0 HG22 ILE A 58 -3.872 1.188 2.188 1.00 74.22 H new ATOM 0 HG23 ILE A 58 -5.175 -0.021 2.268 1.00 74.22 H new ATOM 0 HD11 ILE A 58 -7.828 0.889 -1.039 1.00 50.44 H new ATOM 0 HD12 ILE A 58 -6.520 2.095 -1.085 1.00 50.44 H new ATOM 0 HD13 ILE A 58 -6.154 0.400 -0.682 1.00 50.44 H new ATOM 1004 N SER A 59 -4.687 2.803 5.025 1.00 75.12 N ATOM 1005 CA SER A 59 -3.534 3.340 5.746 1.00 52.35 C ATOM 1006 C SER A 59 -2.436 2.267 5.743 1.00 13.23 C ATOM 1007 O SER A 59 -2.539 1.258 6.451 1.00 2.11 O ATOM 1008 CB SER A 59 -3.948 3.743 7.186 1.00 45.32 C ATOM 1009 OG SER A 59 -4.924 4.781 7.162 1.00 32.52 O ATOM 0 H SER A 59 -5.245 2.148 5.573 1.00 75.12 H new ATOM 0 HA SER A 59 -3.154 4.240 5.263 1.00 52.35 H new ATOM 0 HB2 SER A 59 -4.347 2.875 7.710 1.00 45.32 H new ATOM 0 HB3 SER A 59 -3.071 4.075 7.741 1.00 45.32 H new ATOM 0 HG SER A 59 -4.490 5.633 6.946 1.00 32.52 H new ATOM 1015 N ILE A 60 -1.423 2.465 4.884 1.00 42.10 N ATOM 1016 CA ILE A 60 -0.285 1.542 4.752 1.00 35.22 C ATOM 1017 C ILE A 60 0.912 2.075 5.548 1.00 70.23 C ATOM 1018 O ILE A 60 1.274 3.252 5.431 1.00 42.24 O ATOM 1019 CB ILE A 60 0.108 1.314 3.241 1.00 32.23 C ATOM 1020 CG1 ILE A 60 -1.071 0.626 2.477 1.00 65.50 C ATOM 1021 CG2 ILE A 60 1.423 0.498 3.102 1.00 52.03 C ATOM 1022 CD1 ILE A 60 -0.809 0.335 1.011 1.00 61.44 C ATOM 0 H ILE A 60 -1.370 3.271 4.261 1.00 42.10 H new ATOM 0 HA ILE A 60 -0.583 0.575 5.158 1.00 35.22 H new ATOM 0 HB ILE A 60 0.294 2.289 2.790 1.00 32.23 H new ATOM 0 HG12 ILE A 60 -1.311 -0.311 2.980 1.00 65.50 H new ATOM 0 HG13 ILE A 60 -1.952 1.263 2.553 1.00 65.50 H new ATOM 0 HG21 ILE A 60 1.658 0.363 2.046 1.00 52.03 H new ATOM 0 HG22 ILE A 60 2.237 1.034 3.589 1.00 52.03 H new ATOM 0 HG23 ILE A 60 1.298 -0.477 3.573 1.00 52.03 H new ATOM 0 HD11 ILE A 60 -1.686 -0.142 0.572 1.00 61.44 H new ATOM 0 HD12 ILE A 60 -0.602 1.268 0.486 1.00 61.44 H new ATOM 0 HD13 ILE A 60 0.049 -0.331 0.920 1.00 61.44 H new ATOM 1034 N ARG A 61 1.503 1.207 6.372 1.00 70.01 N ATOM 1035 CA ARG A 61 2.727 1.507 7.110 1.00 11.22 C ATOM 1036 C ARG A 61 3.822 0.557 6.605 1.00 11.14 C ATOM 1037 O ARG A 61 3.668 -0.669 6.691 1.00 14.44 O ATOM 1038 CB ARG A 61 2.489 1.339 8.629 1.00 13.02 C ATOM 1039 CG ARG A 61 3.637 1.875 9.505 1.00 41.21 C ATOM 1040 CD ARG A 61 3.408 1.656 11.009 1.00 12.15 C ATOM 1041 NE ARG A 61 2.110 2.179 11.480 1.00 14.43 N ATOM 1042 CZ ARG A 61 1.935 3.246 12.281 1.00 62.11 C ATOM 1043 NH1 ARG A 61 2.964 3.971 12.715 1.00 21.04 N ATOM 1044 NH2 ARG A 61 0.715 3.566 12.674 1.00 11.21 N ATOM 0 H ARG A 61 1.141 0.269 6.546 1.00 70.01 H new ATOM 0 HA ARG A 61 3.035 2.540 6.946 1.00 11.22 H new ATOM 0 HB2 ARG A 61 1.567 1.853 8.901 1.00 13.02 H new ATOM 0 HB3 ARG A 61 2.341 0.282 8.849 1.00 13.02 H new ATOM 0 HG2 ARG A 61 4.567 1.388 9.211 1.00 41.21 H new ATOM 0 HG3 ARG A 61 3.762 2.941 9.315 1.00 41.21 H new ATOM 0 HD2 ARG A 61 3.464 0.590 11.227 1.00 12.15 H new ATOM 0 HD3 ARG A 61 4.211 2.138 11.567 1.00 12.15 H new ATOM 0 HE ARG A 61 1.271 1.688 11.171 1.00 14.43 H new ATOM 0 HH11 ARG A 61 3.915 3.722 12.441 1.00 21.04 H new ATOM 0 HH12 ARG A 61 2.802 4.775 13.321 1.00 21.04 H new ATOM 0 HH21 ARG A 61 -0.082 3.006 12.370 1.00 11.21 H new ATOM 0 HH22 ARG A 61 0.570 4.373 13.281 1.00 11.21 H new ATOM 1058 N VAL A 62 4.905 1.125 6.066 1.00 3.14 N ATOM 1059 CA VAL A 62 6.027 0.351 5.516 1.00 32.31 C ATOM 1060 C VAL A 62 7.098 0.203 6.601 1.00 13.41 C ATOM 1061 O VAL A 62 7.369 1.161 7.334 1.00 3.23 O ATOM 1062 CB VAL A 62 6.630 1.035 4.226 1.00 20.34 C ATOM 1063 CG1 VAL A 62 7.097 2.482 4.477 1.00 61.52 C ATOM 1064 CG2 VAL A 62 7.786 0.201 3.643 1.00 41.33 C ATOM 0 H VAL A 62 5.031 2.135 5.998 1.00 3.14 H new ATOM 0 HA VAL A 62 5.665 -0.632 5.213 1.00 32.31 H new ATOM 0 HB VAL A 62 5.818 1.078 3.500 1.00 20.34 H new ATOM 0 HG11 VAL A 62 7.501 2.899 3.555 1.00 61.52 H new ATOM 0 HG12 VAL A 62 6.251 3.085 4.808 1.00 61.52 H new ATOM 0 HG13 VAL A 62 7.869 2.487 5.247 1.00 61.52 H new ATOM 0 HG21 VAL A 62 8.181 0.697 2.756 1.00 41.33 H new ATOM 0 HG22 VAL A 62 8.577 0.105 4.387 1.00 41.33 H new ATOM 0 HG23 VAL A 62 7.420 -0.789 3.372 1.00 41.33 H new ATOM 1074 N LYS A 63 7.703 -0.991 6.706 1.00 43.23 N ATOM 1075 CA LYS A 63 8.696 -1.272 7.746 1.00 72.13 C ATOM 1076 C LYS A 63 10.053 -0.706 7.304 1.00 11.14 C ATOM 1077 O LYS A 63 10.559 -1.059 6.228 1.00 20.43 O ATOM 1078 CB LYS A 63 8.787 -2.794 8.029 1.00 42.14 C ATOM 1079 CG LYS A 63 9.586 -3.147 9.310 1.00 1.21 C ATOM 1080 CD LYS A 63 9.593 -4.662 9.621 1.00 23.33 C ATOM 1081 CE LYS A 63 10.230 -5.003 10.982 1.00 72.02 C ATOM 1082 NZ LYS A 63 10.183 -6.467 11.267 1.00 2.42 N ATOM 0 H LYS A 63 7.519 -1.776 6.081 1.00 43.23 H new ATOM 0 HA LYS A 63 8.394 -0.791 8.677 1.00 72.13 H new ATOM 0 HB2 LYS A 63 7.779 -3.198 8.118 1.00 42.14 H new ATOM 0 HB3 LYS A 63 9.253 -3.285 7.175 1.00 42.14 H new ATOM 0 HG2 LYS A 63 10.613 -2.800 9.198 1.00 1.21 H new ATOM 0 HG3 LYS A 63 9.159 -2.610 10.157 1.00 1.21 H new ATOM 0 HD2 LYS A 63 8.569 -5.034 9.604 1.00 23.33 H new ATOM 0 HD3 LYS A 63 10.135 -5.185 8.833 1.00 23.33 H new ATOM 0 HE2 LYS A 63 11.266 -4.664 10.993 1.00 72.02 H new ATOM 0 HE3 LYS A 63 9.709 -4.462 11.772 1.00 72.02 H new ATOM 0 HZ1 LYS A 63 9.628 -6.635 12.130 1.00 2.42 H new ATOM 0 HZ2 LYS A 63 9.738 -6.962 10.468 1.00 2.42 H new ATOM 0 HZ3 LYS A 63 11.150 -6.826 11.402 1.00 2.42 H new ATOM 1096 N HIS A 64 10.609 0.196 8.126 1.00 71.02 N ATOM 1097 CA HIS A 64 11.864 0.901 7.831 1.00 10.23 C ATOM 1098 C HIS A 64 13.045 0.179 8.481 1.00 64.23 C ATOM 1099 O HIS A 64 12.902 -0.447 9.535 1.00 41.20 O ATOM 1100 CB HIS A 64 11.798 2.367 8.324 1.00 12.11 C ATOM 1101 CG HIS A 64 10.779 3.218 7.609 1.00 2.11 C ATOM 1102 ND1 HIS A 64 9.986 4.147 8.253 1.00 11.52 N ATOM 1103 CD2 HIS A 64 10.454 3.305 6.295 1.00 22.32 C ATOM 1104 CE1 HIS A 64 9.225 4.762 7.375 1.00 30.02 C ATOM 1105 NE2 HIS A 64 9.488 4.274 6.181 1.00 22.13 N ATOM 0 H HIS A 64 10.197 0.458 9.021 1.00 71.02 H new ATOM 0 HA HIS A 64 12.006 0.907 6.750 1.00 10.23 H new ATOM 0 HB2 HIS A 64 11.572 2.369 9.390 1.00 12.11 H new ATOM 0 HB3 HIS A 64 12.781 2.822 8.206 1.00 12.11 H new ATOM 0 HD1 HIS A 64 9.990 4.328 9.257 1.00 11.52 H new ATOM 0 HD2 HIS A 64 10.876 2.722 5.490 1.00 22.32 H new ATOM 0 HE1 HIS A 64 8.506 5.537 7.596 1.00 30.02 H new ATOM 1114 N SER A 65 14.205 0.296 7.835 1.00 11.12 N ATOM 1115 CA SER A 65 15.454 -0.338 8.264 1.00 1.32 C ATOM 1116 C SER A 65 16.096 0.421 9.438 1.00 21.10 C ATOM 1117 O SER A 65 16.519 -0.192 10.425 1.00 3.53 O ATOM 1118 CB SER A 65 16.414 -0.384 7.064 1.00 53.44 C ATOM 1119 OG SER A 65 15.791 -1.034 5.974 1.00 71.23 O ATOM 0 H SER A 65 14.306 0.845 6.981 1.00 11.12 H new ATOM 0 HA SER A 65 15.241 -1.348 8.614 1.00 1.32 H new ATOM 0 HB2 SER A 65 16.702 0.628 6.779 1.00 53.44 H new ATOM 0 HB3 SER A 65 17.328 -0.910 7.338 1.00 53.44 H new ATOM 0 HG SER A 65 15.149 -0.425 5.553 1.00 71.23 H new ATOM 1125 N ASP A 66 16.128 1.756 9.337 1.00 22.15 N ATOM 1126 CA ASP A 66 16.822 2.628 10.316 1.00 43.22 C ATOM 1127 C ASP A 66 16.222 4.047 10.294 1.00 12.32 C ATOM 1128 O ASP A 66 15.618 4.437 9.299 1.00 22.20 O ATOM 1129 CB ASP A 66 18.350 2.641 10.000 1.00 51.14 C ATOM 1130 CG ASP A 66 19.162 3.675 10.800 1.00 52.01 C ATOM 1131 OD1 ASP A 66 19.389 3.464 12.015 1.00 72.12 O ATOM 1132 OD2 ASP A 66 19.557 4.713 10.227 1.00 72.43 O ATOM 0 H ASP A 66 15.677 2.269 8.579 1.00 22.15 H new ATOM 0 HA ASP A 66 16.682 2.236 11.323 1.00 43.22 H new ATOM 0 HB2 ASP A 66 18.756 1.649 10.196 1.00 51.14 H new ATOM 0 HB3 ASP A 66 18.486 2.836 8.936 1.00 51.14 H new ATOM 1137 N ALA A 67 16.412 4.804 11.404 1.00 54.43 N ATOM 1138 CA ALA A 67 15.847 6.163 11.605 1.00 74.33 C ATOM 1139 C ALA A 67 16.289 7.169 10.514 1.00 34.53 C ATOM 1140 O ALA A 67 15.464 7.935 9.996 1.00 71.14 O ATOM 1141 CB ALA A 67 16.213 6.682 13.006 1.00 45.53 C ATOM 0 H ALA A 67 16.970 4.483 12.196 1.00 54.43 H new ATOM 0 HA ALA A 67 14.764 6.076 11.520 1.00 74.33 H new ATOM 0 HB1 ALA A 67 15.795 7.679 13.145 1.00 45.53 H new ATOM 0 HB2 ALA A 67 15.806 6.009 13.761 1.00 45.53 H new ATOM 0 HB3 ALA A 67 17.298 6.726 13.106 1.00 45.53 H new ATOM 1147 N ALA A 68 17.587 7.149 10.168 1.00 32.14 N ATOM 1148 CA ALA A 68 18.153 8.023 9.110 1.00 72.13 C ATOM 1149 C ALA A 68 17.771 7.511 7.715 1.00 2.43 C ATOM 1150 O ALA A 68 17.801 8.264 6.740 1.00 35.33 O ATOM 1151 CB ALA A 68 19.678 8.117 9.253 1.00 51.54 C ATOM 0 H ALA A 68 18.274 6.535 10.605 1.00 32.14 H new ATOM 0 HA ALA A 68 17.732 9.021 9.230 1.00 72.13 H new ATOM 0 HB1 ALA A 68 20.078 8.761 8.470 1.00 51.54 H new ATOM 0 HB2 ALA A 68 19.927 8.534 10.229 1.00 51.54 H new ATOM 0 HB3 ALA A 68 20.114 7.122 9.162 1.00 51.54 H new ATOM 1157 N GLU A 69 17.441 6.217 7.629 1.00 35.14 N ATOM 1158 CA GLU A 69 17.012 5.582 6.373 1.00 52.41 C ATOM 1159 C GLU A 69 15.512 5.774 6.114 1.00 61.33 C ATOM 1160 O GLU A 69 15.077 5.588 4.981 1.00 23.13 O ATOM 1161 CB GLU A 69 17.384 4.079 6.372 1.00 42.24 C ATOM 1162 CG GLU A 69 18.890 3.806 6.542 1.00 74.24 C ATOM 1163 CD GLU A 69 19.771 4.511 5.489 1.00 64.34 C ATOM 1164 OE1 GLU A 69 19.917 3.984 4.368 1.00 1.35 O ATOM 1165 OE2 GLU A 69 20.330 5.594 5.781 1.00 62.23 O ATOM 0 H GLU A 69 17.463 5.580 8.425 1.00 35.14 H new ATOM 0 HA GLU A 69 17.543 6.075 5.558 1.00 52.41 H new ATOM 0 HB2 GLU A 69 16.842 3.581 7.176 1.00 42.24 H new ATOM 0 HB3 GLU A 69 17.048 3.633 5.436 1.00 42.24 H new ATOM 0 HG2 GLU A 69 19.199 4.129 7.536 1.00 74.24 H new ATOM 0 HG3 GLU A 69 19.064 2.731 6.488 1.00 74.24 H new ATOM 1172 N GLU A 70 14.731 6.141 7.162 1.00 25.12 N ATOM 1173 CA GLU A 70 13.263 6.345 7.048 1.00 32.42 C ATOM 1174 C GLU A 70 12.916 7.396 5.991 1.00 34.22 C ATOM 1175 O GLU A 70 12.009 7.187 5.199 1.00 24.03 O ATOM 1176 CB GLU A 70 12.626 6.772 8.396 1.00 63.43 C ATOM 1177 CG GLU A 70 12.761 5.753 9.533 1.00 3.52 C ATOM 1178 CD GLU A 70 11.947 6.127 10.775 1.00 13.12 C ATOM 1179 OE1 GLU A 70 12.393 7.000 11.546 1.00 51.14 O ATOM 1180 OE2 GLU A 70 10.854 5.551 10.984 1.00 11.35 O ATOM 0 H GLU A 70 15.096 6.303 8.101 1.00 25.12 H new ATOM 0 HA GLU A 70 12.853 5.380 6.749 1.00 32.42 H new ATOM 0 HB2 GLU A 70 13.082 7.710 8.714 1.00 63.43 H new ATOM 0 HB3 GLU A 70 11.567 6.972 8.232 1.00 63.43 H new ATOM 0 HG2 GLU A 70 12.439 4.775 9.176 1.00 3.52 H new ATOM 0 HG3 GLU A 70 13.812 5.662 9.808 1.00 3.52 H new ATOM 1187 N LYS A 71 13.665 8.513 5.999 1.00 51.42 N ATOM 1188 CA LYS A 71 13.467 9.633 5.053 1.00 70.01 C ATOM 1189 C LYS A 71 13.716 9.183 3.595 1.00 73.23 C ATOM 1190 O LYS A 71 13.040 9.651 2.670 1.00 61.22 O ATOM 1191 CB LYS A 71 14.388 10.825 5.439 1.00 33.41 C ATOM 1192 CG LYS A 71 15.900 10.499 5.444 1.00 2.44 C ATOM 1193 CD LYS A 71 16.807 11.620 6.022 1.00 44.12 C ATOM 1194 CE LYS A 71 16.897 12.895 5.152 1.00 24.40 C ATOM 1195 NZ LYS A 71 15.668 13.741 5.192 1.00 32.23 N ATOM 0 H LYS A 71 14.426 8.668 6.661 1.00 51.42 H new ATOM 0 HA LYS A 71 12.430 9.962 5.118 1.00 70.01 H new ATOM 0 HB2 LYS A 71 14.209 11.645 4.743 1.00 33.41 H new ATOM 0 HB3 LYS A 71 14.104 11.180 6.429 1.00 33.41 H new ATOM 0 HG2 LYS A 71 16.059 9.589 6.022 1.00 2.44 H new ATOM 0 HG3 LYS A 71 16.215 10.287 4.422 1.00 2.44 H new ATOM 0 HD2 LYS A 71 16.435 11.896 7.009 1.00 44.12 H new ATOM 0 HD3 LYS A 71 17.811 11.220 6.160 1.00 44.12 H new ATOM 0 HE2 LYS A 71 17.747 13.491 5.484 1.00 24.40 H new ATOM 0 HE3 LYS A 71 17.094 12.606 4.120 1.00 24.40 H new ATOM 0 HZ1 LYS A 71 15.182 13.691 4.274 1.00 32.23 H new ATOM 0 HZ2 LYS A 71 15.033 13.395 5.939 1.00 32.23 H new ATOM 0 HZ3 LYS A 71 15.932 14.727 5.391 1.00 32.23 H new ATOM 1209 N LYS A 72 14.669 8.250 3.412 1.00 34.54 N ATOM 1210 CA LYS A 72 14.977 7.670 2.096 1.00 12.12 C ATOM 1211 C LYS A 72 13.826 6.762 1.655 1.00 23.32 C ATOM 1212 O LYS A 72 13.172 7.037 0.661 1.00 1.43 O ATOM 1213 CB LYS A 72 16.299 6.866 2.139 1.00 24.11 C ATOM 1214 CG LYS A 72 17.541 7.700 2.499 1.00 50.44 C ATOM 1215 CD LYS A 72 18.819 6.832 2.542 1.00 33.34 C ATOM 1216 CE LYS A 72 20.062 7.623 2.949 1.00 51.31 C ATOM 1217 NZ LYS A 72 21.253 6.744 3.124 1.00 10.54 N ATOM 0 H LYS A 72 15.243 7.880 4.170 1.00 34.54 H new ATOM 0 HA LYS A 72 15.098 8.482 1.379 1.00 12.12 H new ATOM 0 HB2 LYS A 72 16.196 6.059 2.865 1.00 24.11 H new ATOM 0 HB3 LYS A 72 16.459 6.401 1.166 1.00 24.11 H new ATOM 0 HG2 LYS A 72 17.668 8.498 1.768 1.00 50.44 H new ATOM 0 HG3 LYS A 72 17.391 8.176 3.468 1.00 50.44 H new ATOM 0 HD2 LYS A 72 18.671 6.011 3.244 1.00 33.34 H new ATOM 0 HD3 LYS A 72 18.983 6.387 1.561 1.00 33.34 H new ATOM 0 HE2 LYS A 72 20.276 8.376 2.191 1.00 51.31 H new ATOM 0 HE3 LYS A 72 19.864 8.155 3.880 1.00 51.31 H new ATOM 0 HZ1 LYS A 72 22.114 7.327 3.147 1.00 10.54 H new ATOM 0 HZ2 LYS A 72 21.167 6.217 4.016 1.00 10.54 H new ATOM 0 HZ3 LYS A 72 21.310 6.074 2.331 1.00 10.54 H new ATOM 1231 N GLU A 73 13.556 5.735 2.483 1.00 41.23 N ATOM 1232 CA GLU A 73 12.583 4.657 2.209 1.00 1.53 C ATOM 1233 C GLU A 73 11.147 5.171 2.091 1.00 44.13 C ATOM 1234 O GLU A 73 10.345 4.575 1.382 1.00 64.12 O ATOM 1235 CB GLU A 73 12.643 3.601 3.338 1.00 14.22 C ATOM 1236 CG GLU A 73 14.004 2.905 3.495 1.00 24.05 C ATOM 1237 CD GLU A 73 14.063 2.020 4.748 1.00 51.32 C ATOM 1238 OE1 GLU A 73 14.331 2.554 5.848 1.00 32.43 O ATOM 1239 OE2 GLU A 73 13.820 0.796 4.649 1.00 41.54 O ATOM 0 H GLU A 73 14.020 5.628 3.385 1.00 41.23 H new ATOM 0 HA GLU A 73 12.859 4.219 1.250 1.00 1.53 H new ATOM 0 HB2 GLU A 73 12.386 4.083 4.281 1.00 14.22 H new ATOM 0 HB3 GLU A 73 11.882 2.843 3.149 1.00 14.22 H new ATOM 0 HG2 GLU A 73 14.202 2.296 2.613 1.00 24.05 H new ATOM 0 HG3 GLU A 73 14.791 3.657 3.547 1.00 24.05 H new ATOM 1246 N ALA A 74 10.829 6.259 2.810 1.00 21.44 N ATOM 1247 CA ALA A 74 9.494 6.866 2.772 1.00 73.32 C ATOM 1248 C ALA A 74 9.241 7.445 1.379 1.00 71.02 C ATOM 1249 O ALA A 74 8.291 7.054 0.734 1.00 20.55 O ATOM 1250 CB ALA A 74 9.351 7.947 3.847 1.00 33.43 C ATOM 0 H ALA A 74 11.485 6.737 3.428 1.00 21.44 H new ATOM 0 HA ALA A 74 8.749 6.098 2.981 1.00 73.32 H new ATOM 0 HB1 ALA A 74 8.352 8.380 3.797 1.00 33.43 H new ATOM 0 HB2 ALA A 74 9.505 7.504 4.831 1.00 33.43 H new ATOM 0 HB3 ALA A 74 10.094 8.727 3.680 1.00 33.43 H new ATOM 1256 N LYS A 75 10.158 8.334 0.940 1.00 54.11 N ATOM 1257 CA LYS A 75 10.130 9.014 -0.384 1.00 33.21 C ATOM 1258 C LYS A 75 10.236 7.976 -1.538 1.00 15.02 C ATOM 1259 O LYS A 75 9.513 8.055 -2.546 1.00 23.32 O ATOM 1260 CB LYS A 75 11.331 10.030 -0.411 1.00 45.52 C ATOM 1261 CG LYS A 75 11.338 11.138 -1.507 1.00 24.44 C ATOM 1262 CD LYS A 75 11.689 10.639 -2.932 1.00 64.24 C ATOM 1263 CE LYS A 75 11.900 11.791 -3.931 1.00 33.32 C ATOM 1264 NZ LYS A 75 10.746 12.722 -3.984 1.00 14.35 N ATOM 0 H LYS A 75 10.960 8.609 1.507 1.00 54.11 H new ATOM 0 HA LYS A 75 9.188 9.544 -0.528 1.00 33.21 H new ATOM 0 HB2 LYS A 75 11.371 10.523 0.560 1.00 45.52 H new ATOM 0 HB3 LYS A 75 12.251 9.454 -0.514 1.00 45.52 H new ATOM 0 HG2 LYS A 75 10.356 11.609 -1.534 1.00 24.44 H new ATOM 0 HG3 LYS A 75 12.054 11.909 -1.220 1.00 24.44 H new ATOM 0 HD2 LYS A 75 12.594 10.032 -2.887 1.00 64.24 H new ATOM 0 HD3 LYS A 75 10.889 9.993 -3.293 1.00 64.24 H new ATOM 0 HE2 LYS A 75 12.797 12.346 -3.655 1.00 33.32 H new ATOM 0 HE3 LYS A 75 12.074 11.378 -4.924 1.00 33.32 H new ATOM 0 HZ1 LYS A 75 10.896 13.418 -4.742 1.00 14.35 H new ATOM 0 HZ2 LYS A 75 9.876 12.185 -4.174 1.00 14.35 H new ATOM 0 HZ3 LYS A 75 10.656 13.216 -3.073 1.00 14.35 H new ATOM 1278 N LYS A 76 11.152 7.022 -1.347 1.00 52.43 N ATOM 1279 CA LYS A 76 11.515 5.976 -2.324 1.00 64.10 C ATOM 1280 C LYS A 76 10.330 5.033 -2.614 1.00 41.40 C ATOM 1281 O LYS A 76 9.898 4.882 -3.766 1.00 73.45 O ATOM 1282 CB LYS A 76 12.734 5.201 -1.747 1.00 52.21 C ATOM 1283 CG LYS A 76 13.467 4.249 -2.704 1.00 21.34 C ATOM 1284 CD LYS A 76 14.667 3.568 -1.993 1.00 44.25 C ATOM 1285 CE LYS A 76 15.472 2.652 -2.916 1.00 13.31 C ATOM 1286 NZ LYS A 76 14.650 1.556 -3.485 1.00 72.11 N ATOM 0 H LYS A 76 11.683 6.949 -0.479 1.00 52.43 H new ATOM 0 HA LYS A 76 11.776 6.430 -3.280 1.00 64.10 H new ATOM 0 HB2 LYS A 76 13.454 5.930 -1.375 1.00 52.21 H new ATOM 0 HB3 LYS A 76 12.393 4.623 -0.888 1.00 52.21 H new ATOM 0 HG2 LYS A 76 12.776 3.489 -3.068 1.00 21.34 H new ATOM 0 HG3 LYS A 76 13.820 4.802 -3.574 1.00 21.34 H new ATOM 0 HD2 LYS A 76 15.326 4.337 -1.589 1.00 44.25 H new ATOM 0 HD3 LYS A 76 14.298 2.988 -1.147 1.00 44.25 H new ATOM 0 HE2 LYS A 76 15.897 3.242 -3.728 1.00 13.31 H new ATOM 0 HE3 LYS A 76 16.307 2.225 -2.361 1.00 13.31 H new ATOM 0 HZ1 LYS A 76 15.086 0.640 -3.255 1.00 72.11 H new ATOM 0 HZ2 LYS A 76 13.692 1.595 -3.081 1.00 72.11 H new ATOM 0 HZ3 LYS A 76 14.595 1.664 -4.518 1.00 72.11 H new ATOM 1300 N PHE A 77 9.792 4.446 -1.538 1.00 42.15 N ATOM 1301 CA PHE A 77 8.645 3.521 -1.594 1.00 22.03 C ATOM 1302 C PHE A 77 7.331 4.298 -1.836 1.00 40.20 C ATOM 1303 O PHE A 77 6.330 3.705 -2.231 1.00 11.31 O ATOM 1304 CB PHE A 77 8.595 2.661 -0.300 1.00 21.43 C ATOM 1305 CG PHE A 77 7.650 1.457 -0.340 1.00 42.32 C ATOM 1306 CD1 PHE A 77 7.912 0.370 -1.181 1.00 24.04 C ATOM 1307 CD2 PHE A 77 6.522 1.394 0.480 1.00 0.42 C ATOM 1308 CE1 PHE A 77 7.073 -0.729 -1.199 1.00 20.24 C ATOM 1309 CE2 PHE A 77 5.685 0.294 0.457 1.00 32.41 C ATOM 1310 CZ PHE A 77 5.962 -0.767 -0.379 1.00 34.33 C ATOM 0 H PHE A 77 10.142 4.599 -0.592 1.00 42.15 H new ATOM 0 HA PHE A 77 8.768 2.840 -2.436 1.00 22.03 H new ATOM 0 HB2 PHE A 77 9.602 2.303 -0.085 1.00 21.43 H new ATOM 0 HB3 PHE A 77 8.301 3.303 0.530 1.00 21.43 H new ATOM 0 HD1 PHE A 77 8.780 0.390 -1.824 1.00 24.04 H new ATOM 0 HD2 PHE A 77 6.300 2.217 1.143 1.00 0.42 H new ATOM 0 HE1 PHE A 77 7.287 -1.559 -1.856 1.00 20.24 H new ATOM 0 HE2 PHE A 77 4.814 0.266 1.094 1.00 32.41 H new ATOM 0 HZ PHE A 77 5.310 -1.628 -0.393 1.00 34.33 H new ATOM 1320 N ALA A 78 7.344 5.625 -1.562 1.00 42.43 N ATOM 1321 CA ALA A 78 6.219 6.526 -1.898 1.00 71.41 C ATOM 1322 C ALA A 78 6.006 6.589 -3.399 1.00 73.44 C ATOM 1323 O ALA A 78 4.871 6.554 -3.856 1.00 10.22 O ATOM 1324 CB ALA A 78 6.451 7.939 -1.370 1.00 63.13 C ATOM 0 H ALA A 78 8.126 6.095 -1.107 1.00 42.43 H new ATOM 0 HA ALA A 78 5.331 6.113 -1.419 1.00 71.41 H new ATOM 0 HB1 ALA A 78 5.604 8.571 -1.637 1.00 63.13 H new ATOM 0 HB2 ALA A 78 6.555 7.910 -0.285 1.00 63.13 H new ATOM 0 HB3 ALA A 78 7.361 8.347 -1.810 1.00 63.13 H new ATOM 1330 N ALA A 79 7.120 6.691 -4.153 1.00 0.51 N ATOM 1331 CA ALA A 79 7.098 6.682 -5.625 1.00 53.04 C ATOM 1332 C ALA A 79 6.493 5.368 -6.146 1.00 60.20 C ATOM 1333 O ALA A 79 5.657 5.373 -7.046 1.00 60.11 O ATOM 1334 CB ALA A 79 8.516 6.893 -6.176 1.00 2.05 C ATOM 0 H ALA A 79 8.056 6.782 -3.757 1.00 0.51 H new ATOM 0 HA ALA A 79 6.470 7.502 -5.973 1.00 53.04 H new ATOM 0 HB1 ALA A 79 8.488 6.885 -7.266 1.00 2.05 H new ATOM 0 HB2 ALA A 79 8.902 7.852 -5.830 1.00 2.05 H new ATOM 0 HB3 ALA A 79 9.166 6.092 -5.824 1.00 2.05 H new ATOM 1340 N ILE A 80 6.889 4.264 -5.498 1.00 62.31 N ATOM 1341 CA ILE A 80 6.415 2.903 -5.806 1.00 25.30 C ATOM 1342 C ILE A 80 4.902 2.762 -5.565 1.00 64.32 C ATOM 1343 O ILE A 80 4.172 2.327 -6.464 1.00 20.34 O ATOM 1344 CB ILE A 80 7.223 1.868 -4.940 1.00 30.13 C ATOM 1345 CG1 ILE A 80 8.719 1.916 -5.330 1.00 45.01 C ATOM 1346 CG2 ILE A 80 6.672 0.432 -5.038 1.00 14.14 C ATOM 1347 CD1 ILE A 80 9.010 1.583 -6.788 1.00 43.52 C ATOM 0 H ILE A 80 7.560 4.290 -4.730 1.00 62.31 H new ATOM 0 HA ILE A 80 6.586 2.702 -6.864 1.00 25.30 H new ATOM 0 HB ILE A 80 7.107 2.160 -3.896 1.00 30.13 H new ATOM 0 HG12 ILE A 80 9.104 2.913 -5.116 1.00 45.01 H new ATOM 0 HG13 ILE A 80 9.268 1.219 -4.696 1.00 45.01 H new ATOM 0 HG21 ILE A 80 7.274 -0.232 -4.417 1.00 14.14 H new ATOM 0 HG22 ILE A 80 5.639 0.414 -4.692 1.00 14.14 H new ATOM 0 HG23 ILE A 80 6.713 0.096 -6.074 1.00 14.14 H new ATOM 0 HD11 ILE A 80 10.083 1.642 -6.968 1.00 43.52 H new ATOM 0 HD12 ILE A 80 8.661 0.574 -7.008 1.00 43.52 H new ATOM 0 HD13 ILE A 80 8.494 2.294 -7.434 1.00 43.52 H new ATOM 1359 N LEU A 81 4.440 3.182 -4.370 1.00 35.11 N ATOM 1360 CA LEU A 81 3.022 3.100 -3.977 1.00 24.54 C ATOM 1361 C LEU A 81 2.164 3.999 -4.883 1.00 72.32 C ATOM 1362 O LEU A 81 1.125 3.575 -5.363 1.00 64.12 O ATOM 1363 CB LEU A 81 2.834 3.494 -2.476 1.00 60.53 C ATOM 1364 CG LEU A 81 3.230 2.414 -1.417 1.00 71.14 C ATOM 1365 CD1 LEU A 81 3.042 2.945 0.024 1.00 53.01 C ATOM 1366 CD2 LEU A 81 2.438 1.100 -1.622 1.00 54.14 C ATOM 0 H LEU A 81 5.040 3.587 -3.652 1.00 35.11 H new ATOM 0 HA LEU A 81 2.693 2.068 -4.098 1.00 24.54 H new ATOM 0 HB2 LEU A 81 3.420 4.392 -2.283 1.00 60.53 H new ATOM 0 HB3 LEU A 81 1.788 3.757 -2.321 1.00 60.53 H new ATOM 0 HG LEU A 81 4.288 2.193 -1.562 1.00 71.14 H new ATOM 0 HD11 LEU A 81 3.326 2.171 0.737 1.00 53.01 H new ATOM 0 HD12 LEU A 81 3.670 3.823 0.173 1.00 53.01 H new ATOM 0 HD13 LEU A 81 1.997 3.216 0.179 1.00 53.01 H new ATOM 0 HD21 LEU A 81 2.739 0.372 -0.868 1.00 54.14 H new ATOM 0 HD22 LEU A 81 1.371 1.300 -1.527 1.00 54.14 H new ATOM 0 HD23 LEU A 81 2.646 0.701 -2.615 1.00 54.14 H new ATOM 1378 N ASN A 82 2.667 5.215 -5.143 1.00 3.11 N ATOM 1379 CA ASN A 82 1.979 6.254 -5.944 1.00 44.14 C ATOM 1380 C ASN A 82 1.691 5.745 -7.374 1.00 73.50 C ATOM 1381 O ASN A 82 0.610 5.987 -7.925 1.00 44.12 O ATOM 1382 CB ASN A 82 2.871 7.525 -5.990 1.00 73.31 C ATOM 1383 CG ASN A 82 2.222 8.735 -6.652 1.00 21.53 C ATOM 1384 OD1 ASN A 82 1.015 8.957 -6.538 1.00 12.33 O ATOM 1385 ND2 ASN A 82 3.017 9.517 -7.366 1.00 33.34 N ATOM 0 H ASN A 82 3.579 5.515 -4.799 1.00 3.11 H new ATOM 0 HA ASN A 82 1.023 6.493 -5.479 1.00 44.14 H new ATOM 0 HB2 ASN A 82 3.152 7.792 -4.971 1.00 73.31 H new ATOM 0 HB3 ASN A 82 3.792 7.287 -6.522 1.00 73.31 H new ATOM 0 HD21 ASN A 82 2.635 10.333 -7.843 1.00 33.34 H new ATOM 0 HD22 ASN A 82 4.012 9.303 -7.439 1.00 33.34 H new ATOM 1392 N LYS A 83 2.673 5.013 -7.941 1.00 25.10 N ATOM 1393 CA LYS A 83 2.544 4.378 -9.265 1.00 24.15 C ATOM 1394 C LYS A 83 1.533 3.217 -9.230 1.00 5.34 C ATOM 1395 O LYS A 83 0.705 3.097 -10.133 1.00 14.24 O ATOM 1396 CB LYS A 83 3.921 3.869 -9.775 1.00 71.43 C ATOM 1397 CG LYS A 83 4.964 4.974 -10.045 1.00 32.12 C ATOM 1398 CD LYS A 83 4.467 6.031 -11.048 1.00 70.34 C ATOM 1399 CE LYS A 83 5.517 7.104 -11.364 1.00 71.12 C ATOM 1400 NZ LYS A 83 4.973 8.134 -12.290 1.00 73.14 N ATOM 0 H LYS A 83 3.574 4.847 -7.493 1.00 25.10 H new ATOM 0 HA LYS A 83 2.175 5.136 -9.956 1.00 24.15 H new ATOM 0 HB2 LYS A 83 4.330 3.175 -9.040 1.00 71.43 H new ATOM 0 HB3 LYS A 83 3.765 3.304 -10.694 1.00 71.43 H new ATOM 0 HG2 LYS A 83 5.220 5.463 -9.105 1.00 32.12 H new ATOM 0 HG3 LYS A 83 5.878 4.519 -10.427 1.00 32.12 H new ATOM 0 HD2 LYS A 83 4.174 5.535 -11.973 1.00 70.34 H new ATOM 0 HD3 LYS A 83 3.575 6.512 -10.647 1.00 70.34 H new ATOM 0 HE2 LYS A 83 5.845 7.579 -10.439 1.00 71.12 H new ATOM 0 HE3 LYS A 83 6.395 6.637 -11.811 1.00 71.12 H new ATOM 0 HZ1 LYS A 83 5.705 8.846 -12.486 1.00 73.14 H new ATOM 0 HZ2 LYS A 83 4.683 7.682 -13.181 1.00 73.14 H new ATOM 0 HZ3 LYS A 83 4.150 8.595 -11.852 1.00 73.14 H new ATOM 1414 N VAL A 84 1.588 2.406 -8.155 1.00 72.24 N ATOM 1415 CA VAL A 84 0.708 1.233 -7.977 1.00 62.51 C ATOM 1416 C VAL A 84 -0.763 1.687 -7.908 1.00 41.14 C ATOM 1417 O VAL A 84 -1.599 1.196 -8.666 1.00 54.25 O ATOM 1418 CB VAL A 84 1.118 0.412 -6.684 1.00 3.10 C ATOM 1419 CG1 VAL A 84 0.033 -0.602 -6.254 1.00 2.02 C ATOM 1420 CG2 VAL A 84 2.474 -0.306 -6.901 1.00 1.20 C ATOM 0 H VAL A 84 2.243 2.545 -7.386 1.00 72.24 H new ATOM 0 HA VAL A 84 0.824 0.571 -8.835 1.00 62.51 H new ATOM 0 HB VAL A 84 1.220 1.132 -5.872 1.00 3.10 H new ATOM 0 HG11 VAL A 84 0.366 -1.136 -5.364 1.00 2.02 H new ATOM 0 HG12 VAL A 84 -0.893 -0.072 -6.033 1.00 2.02 H new ATOM 0 HG13 VAL A 84 -0.140 -1.314 -7.061 1.00 2.02 H new ATOM 0 HG21 VAL A 84 2.738 -0.864 -6.003 1.00 1.20 H new ATOM 0 HG22 VAL A 84 2.391 -0.993 -7.743 1.00 1.20 H new ATOM 0 HG23 VAL A 84 3.248 0.433 -7.110 1.00 1.20 H new ATOM 1430 N PHE A 85 -1.034 2.677 -7.040 1.00 63.34 N ATOM 1431 CA PHE A 85 -2.373 3.266 -6.849 1.00 40.10 C ATOM 1432 C PHE A 85 -2.896 3.916 -8.146 1.00 41.25 C ATOM 1433 O PHE A 85 -4.091 3.819 -8.450 1.00 30.33 O ATOM 1434 CB PHE A 85 -2.363 4.293 -5.682 1.00 54.04 C ATOM 1435 CG PHE A 85 -2.042 3.675 -4.312 1.00 4.24 C ATOM 1436 CD1 PHE A 85 -2.710 2.530 -3.867 1.00 72.41 C ATOM 1437 CD2 PHE A 85 -1.085 4.234 -3.470 1.00 25.12 C ATOM 1438 CE1 PHE A 85 -2.430 1.977 -2.634 1.00 12.42 C ATOM 1439 CE2 PHE A 85 -0.805 3.675 -2.240 1.00 24.53 C ATOM 1440 CZ PHE A 85 -1.475 2.548 -1.824 1.00 32.04 C ATOM 0 H PHE A 85 -0.321 3.097 -6.443 1.00 63.34 H new ATOM 0 HA PHE A 85 -3.055 2.456 -6.588 1.00 40.10 H new ATOM 0 HB2 PHE A 85 -1.630 5.069 -5.900 1.00 54.04 H new ATOM 0 HB3 PHE A 85 -3.337 4.780 -5.631 1.00 54.04 H new ATOM 0 HD1 PHE A 85 -3.457 2.071 -4.498 1.00 72.41 H new ATOM 0 HD2 PHE A 85 -0.553 5.120 -3.785 1.00 25.12 H new ATOM 0 HE1 PHE A 85 -2.960 1.096 -2.305 1.00 12.42 H new ATOM 0 HE2 PHE A 85 -0.058 4.124 -1.602 1.00 24.53 H new ATOM 0 HZ PHE A 85 -1.252 2.111 -0.862 1.00 32.04 H new ATOM 1450 N ALA A 86 -1.981 4.530 -8.918 1.00 33.12 N ATOM 1451 CA ALA A 86 -2.292 5.116 -10.244 1.00 41.45 C ATOM 1452 C ALA A 86 -2.758 4.036 -11.243 1.00 73.42 C ATOM 1453 O ALA A 86 -3.596 4.292 -12.111 1.00 65.15 O ATOM 1454 CB ALA A 86 -1.066 5.854 -10.795 1.00 35.25 C ATOM 0 H ALA A 86 -1.004 4.636 -8.644 1.00 33.12 H new ATOM 0 HA ALA A 86 -3.109 5.825 -10.114 1.00 41.45 H new ATOM 0 HB1 ALA A 86 -1.305 6.280 -11.769 1.00 35.25 H new ATOM 0 HB2 ALA A 86 -0.783 6.652 -10.109 1.00 35.25 H new ATOM 0 HB3 ALA A 86 -0.237 5.154 -10.899 1.00 35.25 H new ATOM 1460 N GLU A 87 -2.215 2.818 -11.073 1.00 40.53 N ATOM 1461 CA GLU A 87 -2.543 1.640 -11.904 1.00 5.04 C ATOM 1462 C GLU A 87 -3.800 0.915 -11.371 1.00 21.45 C ATOM 1463 O GLU A 87 -4.385 0.089 -12.075 1.00 65.21 O ATOM 1464 CB GLU A 87 -1.324 0.674 -11.930 1.00 53.21 C ATOM 1465 CG GLU A 87 -0.060 1.274 -12.588 1.00 60.34 C ATOM 1466 CD GLU A 87 1.197 0.398 -12.437 1.00 13.52 C ATOM 1467 OE1 GLU A 87 1.261 -0.670 -13.080 1.00 35.54 O ATOM 1468 OE2 GLU A 87 2.131 0.777 -11.690 1.00 53.31 O ATOM 0 H GLU A 87 -1.527 2.619 -10.347 1.00 40.53 H new ATOM 0 HA GLU A 87 -2.762 1.974 -12.918 1.00 5.04 H new ATOM 0 HB2 GLU A 87 -1.084 0.380 -10.908 1.00 53.21 H new ATOM 0 HB3 GLU A 87 -1.604 -0.233 -12.465 1.00 53.21 H new ATOM 0 HG2 GLU A 87 -0.255 1.433 -13.649 1.00 60.34 H new ATOM 0 HG3 GLU A 87 0.136 2.253 -12.150 1.00 60.34 H new ATOM 1475 N LEU A 88 -4.239 1.260 -10.139 1.00 60.21 N ATOM 1476 CA LEU A 88 -5.414 0.620 -9.496 1.00 74.41 C ATOM 1477 C LEU A 88 -6.668 1.510 -9.673 1.00 33.13 C ATOM 1478 O LEU A 88 -7.753 1.163 -9.191 1.00 40.52 O ATOM 1479 CB LEU A 88 -5.163 0.350 -7.979 1.00 75.55 C ATOM 1480 CG LEU A 88 -3.925 -0.532 -7.595 1.00 31.25 C ATOM 1481 CD1 LEU A 88 -3.893 -0.827 -6.081 1.00 12.12 C ATOM 1482 CD2 LEU A 88 -3.840 -1.831 -8.425 1.00 72.04 C ATOM 0 H LEU A 88 -3.797 1.980 -9.567 1.00 60.21 H new ATOM 0 HA LEU A 88 -5.578 -0.340 -9.985 1.00 74.41 H new ATOM 0 HB2 LEU A 88 -5.058 1.313 -7.479 1.00 75.55 H new ATOM 0 HB3 LEU A 88 -6.054 -0.126 -7.570 1.00 75.55 H new ATOM 0 HG LEU A 88 -3.038 0.052 -7.842 1.00 31.25 H new ATOM 0 HD11 LEU A 88 -3.023 -1.440 -5.848 1.00 12.12 H new ATOM 0 HD12 LEU A 88 -3.834 0.111 -5.529 1.00 12.12 H new ATOM 0 HD13 LEU A 88 -4.800 -1.360 -5.795 1.00 12.12 H new ATOM 0 HD21 LEU A 88 -2.964 -2.403 -8.117 1.00 72.04 H new ATOM 0 HD22 LEU A 88 -4.738 -2.427 -8.262 1.00 72.04 H new ATOM 0 HD23 LEU A 88 -3.757 -1.582 -9.483 1.00 72.04 H new ATOM 1494 N GLY A 89 -6.491 2.662 -10.355 1.00 25.53 N ATOM 1495 CA GLY A 89 -7.584 3.594 -10.654 1.00 1.33 C ATOM 1496 C GLY A 89 -7.694 4.738 -9.653 1.00 35.42 C ATOM 1497 O GLY A 89 -8.554 5.610 -9.808 1.00 22.05 O ATOM 0 H GLY A 89 -5.585 2.966 -10.711 1.00 25.53 H new ATOM 0 HA2 GLY A 89 -7.437 4.007 -11.652 1.00 1.33 H new ATOM 0 HA3 GLY A 89 -8.525 3.045 -10.672 1.00 1.33 H new ATOM 1501 N TYR A 90 -6.824 4.738 -8.626 1.00 3.32 N ATOM 1502 CA TYR A 90 -6.800 5.797 -7.598 1.00 41.14 C ATOM 1503 C TYR A 90 -6.007 7.002 -8.119 1.00 13.10 C ATOM 1504 O TYR A 90 -4.965 6.825 -8.764 1.00 53.44 O ATOM 1505 CB TYR A 90 -6.161 5.287 -6.275 1.00 54.11 C ATOM 1506 CG TYR A 90 -6.732 3.960 -5.742 1.00 12.40 C ATOM 1507 CD1 TYR A 90 -8.105 3.706 -5.720 1.00 41.32 C ATOM 1508 CD2 TYR A 90 -5.887 2.961 -5.255 1.00 54.42 C ATOM 1509 CE1 TYR A 90 -8.603 2.510 -5.245 1.00 72.15 C ATOM 1510 CE2 TYR A 90 -6.381 1.764 -4.783 1.00 32.14 C ATOM 1511 CZ TYR A 90 -7.736 1.549 -4.777 1.00 71.11 C ATOM 1512 OH TYR A 90 -8.226 0.353 -4.324 1.00 41.44 O ATOM 0 H TYR A 90 -6.123 4.011 -8.485 1.00 3.32 H new ATOM 0 HA TYR A 90 -7.829 6.090 -7.389 1.00 41.14 H new ATOM 0 HB2 TYR A 90 -5.089 5.167 -6.430 1.00 54.11 H new ATOM 0 HB3 TYR A 90 -6.288 6.053 -5.510 1.00 54.11 H new ATOM 0 HD1 TYR A 90 -8.789 4.459 -6.081 1.00 41.32 H new ATOM 0 HD2 TYR A 90 -4.820 3.130 -5.248 1.00 54.42 H new ATOM 0 HE1 TYR A 90 -9.668 2.329 -5.240 1.00 72.15 H new ATOM 0 HE2 TYR A 90 -5.707 1.002 -4.421 1.00 32.14 H new ATOM 0 HH TYR A 90 -7.886 0.181 -3.421 1.00 41.44 H new ATOM 1522 N ASN A 91 -6.493 8.219 -7.820 1.00 55.11 N ATOM 1523 CA ASN A 91 -5.825 9.473 -8.219 1.00 42.22 C ATOM 1524 C ASN A 91 -4.524 9.662 -7.409 1.00 64.32 C ATOM 1525 O ASN A 91 -4.456 9.259 -6.239 1.00 14.03 O ATOM 1526 CB ASN A 91 -6.785 10.681 -8.009 1.00 71.54 C ATOM 1527 CG ASN A 91 -6.204 12.039 -8.434 1.00 34.21 C ATOM 1528 OD1 ASN A 91 -5.360 12.128 -9.331 1.00 72.31 O ATOM 1529 ND2 ASN A 91 -6.661 13.111 -7.802 1.00 64.40 N ATOM 0 H ASN A 91 -7.357 8.363 -7.297 1.00 55.11 H new ATOM 0 HA ASN A 91 -5.567 9.418 -9.277 1.00 42.22 H new ATOM 0 HB2 ASN A 91 -7.702 10.501 -8.569 1.00 71.54 H new ATOM 0 HB3 ASN A 91 -7.060 10.731 -6.955 1.00 71.54 H new ATOM 0 HD21 ASN A 91 -6.315 14.037 -8.053 1.00 64.40 H new ATOM 0 HD22 ASN A 91 -7.358 13.010 -7.065 1.00 64.40 H new ATOM 1536 N ASP A 92 -3.515 10.289 -8.052 1.00 41.52 N ATOM 1537 CA ASP A 92 -2.192 10.606 -7.465 1.00 13.21 C ATOM 1538 C ASP A 92 -2.333 11.328 -6.109 1.00 44.32 C ATOM 1539 O ASP A 92 -1.823 10.865 -5.087 1.00 2.44 O ATOM 1540 CB ASP A 92 -1.424 11.510 -8.478 1.00 34.45 C ATOM 1541 CG ASP A 92 -0.011 11.949 -8.030 1.00 0.53 C ATOM 1542 OD1 ASP A 92 0.109 12.921 -7.251 1.00 73.41 O ATOM 1543 OD2 ASP A 92 0.985 11.364 -8.502 1.00 50.22 O ATOM 0 H ASP A 92 -3.599 10.598 -9.021 1.00 41.52 H new ATOM 0 HA ASP A 92 -1.646 9.681 -7.280 1.00 13.21 H new ATOM 0 HB2 ASP A 92 -1.338 10.976 -9.424 1.00 34.45 H new ATOM 0 HB3 ASP A 92 -2.021 12.402 -8.669 1.00 34.45 H new ATOM 1548 N SER A 93 -3.066 12.454 -6.137 1.00 61.12 N ATOM 1549 CA SER A 93 -3.228 13.369 -4.991 1.00 71.45 C ATOM 1550 C SER A 93 -3.855 12.694 -3.743 1.00 72.14 C ATOM 1551 O SER A 93 -3.682 13.196 -2.632 1.00 65.32 O ATOM 1552 CB SER A 93 -4.064 14.595 -5.439 1.00 13.22 C ATOM 1553 OG SER A 93 -4.044 15.631 -4.475 1.00 0.15 O ATOM 0 H SER A 93 -3.571 12.760 -6.969 1.00 61.12 H new ATOM 0 HA SER A 93 -2.232 13.685 -4.679 1.00 71.45 H new ATOM 0 HB2 SER A 93 -3.676 14.972 -6.385 1.00 13.22 H new ATOM 0 HB3 SER A 93 -5.094 14.286 -5.618 1.00 13.22 H new ATOM 0 HG SER A 93 -4.581 16.386 -4.795 1.00 0.15 H new ATOM 1559 N ASN A 94 -4.546 11.544 -3.930 1.00 33.13 N ATOM 1560 CA ASN A 94 -5.213 10.807 -2.822 1.00 72.14 C ATOM 1561 C ASN A 94 -4.203 10.067 -1.927 1.00 4.13 C ATOM 1562 O ASN A 94 -4.525 9.717 -0.784 1.00 15.03 O ATOM 1563 CB ASN A 94 -6.258 9.807 -3.378 1.00 0.12 C ATOM 1564 CG ASN A 94 -7.411 10.481 -4.124 1.00 40.42 C ATOM 1565 OD1 ASN A 94 -7.754 11.636 -3.866 1.00 43.40 O ATOM 1566 ND2 ASN A 94 -8.029 9.756 -5.036 1.00 51.01 N ATOM 0 H ASN A 94 -4.658 11.102 -4.842 1.00 33.13 H new ATOM 0 HA ASN A 94 -5.720 11.551 -2.207 1.00 72.14 H new ATOM 0 HB2 ASN A 94 -5.759 9.109 -4.051 1.00 0.12 H new ATOM 0 HB3 ASN A 94 -6.663 9.221 -2.553 1.00 0.12 H new ATOM 0 HD21 ASN A 94 -8.816 10.149 -5.552 1.00 51.01 H new ATOM 0 HD22 ASN A 94 -7.720 8.803 -5.225 1.00 51.01 H new ATOM 1573 N VAL A 95 -2.985 9.845 -2.450 1.00 14.23 N ATOM 1574 CA VAL A 95 -1.886 9.237 -1.691 1.00 74.44 C ATOM 1575 C VAL A 95 -1.365 10.311 -0.708 1.00 11.12 C ATOM 1576 O VAL A 95 -0.673 11.245 -1.119 1.00 54.13 O ATOM 1577 CB VAL A 95 -0.740 8.730 -2.666 1.00 31.12 C ATOM 1578 CG1 VAL A 95 0.412 8.024 -1.911 1.00 35.50 C ATOM 1579 CG2 VAL A 95 -1.322 7.813 -3.771 1.00 75.01 C ATOM 0 H VAL A 95 -2.738 10.083 -3.411 1.00 14.23 H new ATOM 0 HA VAL A 95 -2.230 8.361 -1.141 1.00 74.44 H new ATOM 0 HB VAL A 95 -0.311 9.614 -3.138 1.00 31.12 H new ATOM 0 HG11 VAL A 95 1.168 7.697 -2.625 1.00 35.50 H new ATOM 0 HG12 VAL A 95 0.860 8.718 -1.200 1.00 35.50 H new ATOM 0 HG13 VAL A 95 0.020 7.159 -1.376 1.00 35.50 H new ATOM 0 HG21 VAL A 95 -0.518 7.478 -4.427 1.00 75.01 H new ATOM 0 HG22 VAL A 95 -1.800 6.948 -3.311 1.00 75.01 H new ATOM 0 HG23 VAL A 95 -2.058 8.367 -4.353 1.00 75.01 H new ATOM 1589 N THR A 96 -1.765 10.216 0.573 1.00 2.24 N ATOM 1590 CA THR A 96 -1.468 11.254 1.578 1.00 35.41 C ATOM 1591 C THR A 96 -0.474 10.703 2.603 1.00 31.30 C ATOM 1592 O THR A 96 -0.874 10.026 3.555 1.00 60.31 O ATOM 1593 CB THR A 96 -2.778 11.725 2.309 1.00 30.01 C ATOM 1594 OG1 THR A 96 -3.816 11.955 1.343 1.00 65.24 O ATOM 1595 CG2 THR A 96 -2.557 13.006 3.141 1.00 61.04 C ATOM 0 H THR A 96 -2.298 9.427 0.938 1.00 2.24 H new ATOM 0 HA THR A 96 -1.035 12.114 1.068 1.00 35.41 H new ATOM 0 HB THR A 96 -3.070 10.931 2.997 1.00 30.01 H new ATOM 0 HG1 THR A 96 -4.631 12.247 1.802 1.00 65.24 H new ATOM 0 HG21 THR A 96 -3.491 13.290 3.626 1.00 61.04 H new ATOM 0 HG22 THR A 96 -1.796 12.821 3.899 1.00 61.04 H new ATOM 0 HG23 THR A 96 -2.228 13.813 2.486 1.00 61.04 H new ATOM 1603 N TRP A 97 0.825 10.950 2.381 1.00 33.22 N ATOM 1604 CA TRP A 97 1.859 10.581 3.351 1.00 23.43 C ATOM 1605 C TRP A 97 1.767 11.522 4.563 1.00 34.22 C ATOM 1606 O TRP A 97 2.082 12.712 4.475 1.00 61.44 O ATOM 1607 CB TRP A 97 3.264 10.599 2.687 1.00 63.45 C ATOM 1608 CG TRP A 97 3.528 9.361 1.854 1.00 65.53 C ATOM 1609 CD1 TRP A 97 3.204 9.147 0.539 1.00 31.43 C ATOM 1610 CD2 TRP A 97 4.146 8.146 2.315 1.00 44.24 C ATOM 1611 NE1 TRP A 97 3.567 7.876 0.167 1.00 0.44 N ATOM 1612 CE2 TRP A 97 4.159 7.246 1.237 1.00 73.23 C ATOM 1613 CE3 TRP A 97 4.693 7.735 3.539 1.00 13.32 C ATOM 1614 CZ2 TRP A 97 4.695 5.963 1.341 1.00 32.50 C ATOM 1615 CZ3 TRP A 97 5.223 6.460 3.640 1.00 72.51 C ATOM 1616 CH2 TRP A 97 5.220 5.586 2.546 1.00 51.03 C ATOM 0 H TRP A 97 1.181 11.403 1.539 1.00 33.22 H new ATOM 0 HA TRP A 97 1.698 9.561 3.701 1.00 23.43 H new ATOM 0 HB2 TRP A 97 3.353 11.483 2.056 1.00 63.45 H new ATOM 0 HB3 TRP A 97 4.027 10.682 3.461 1.00 63.45 H new ATOM 0 HD1 TRP A 97 2.733 9.871 -0.109 1.00 31.43 H new ATOM 0 HE1 TRP A 97 3.421 7.465 -0.755 1.00 0.44 H new ATOM 0 HE3 TRP A 97 4.701 8.402 4.389 1.00 13.32 H new ATOM 0 HZ2 TRP A 97 4.695 5.289 0.497 1.00 32.50 H new ATOM 0 HZ3 TRP A 97 5.646 6.134 4.579 1.00 72.51 H new ATOM 0 HH2 TRP A 97 5.640 4.597 2.656 1.00 51.03 H new ATOM 1627 N ASP A 98 1.272 10.964 5.676 1.00 43.03 N ATOM 1628 CA ASP A 98 1.091 11.668 6.950 1.00 51.32 C ATOM 1629 C ASP A 98 2.241 11.277 7.887 1.00 71.43 C ATOM 1630 O ASP A 98 2.088 10.429 8.776 1.00 31.42 O ATOM 1631 CB ASP A 98 -0.307 11.314 7.547 1.00 54.30 C ATOM 1632 CG ASP A 98 -0.583 11.928 8.939 1.00 74.42 C ATOM 1633 OD1 ASP A 98 -0.714 13.163 9.045 1.00 24.31 O ATOM 1634 OD2 ASP A 98 -0.687 11.170 9.935 1.00 61.13 O ATOM 0 H ASP A 98 0.980 9.988 5.715 1.00 43.03 H new ATOM 0 HA ASP A 98 1.116 12.749 6.810 1.00 51.32 H new ATOM 0 HB2 ASP A 98 -1.079 11.651 6.856 1.00 54.30 H new ATOM 0 HB3 ASP A 98 -0.394 10.230 7.618 1.00 54.30 H new ATOM 1639 N GLY A 99 3.423 11.857 7.609 1.00 3.33 N ATOM 1640 CA GLY A 99 4.643 11.589 8.368 1.00 15.12 C ATOM 1641 C GLY A 99 5.119 10.144 8.232 1.00 53.04 C ATOM 1642 O GLY A 99 5.907 9.819 7.336 1.00 72.01 O ATOM 0 H GLY A 99 3.552 12.525 6.849 1.00 3.33 H new ATOM 0 HA2 GLY A 99 5.432 12.260 8.028 1.00 15.12 H new ATOM 0 HA3 GLY A 99 4.467 11.811 9.420 1.00 15.12 H new ATOM 1646 N ASP A 100 4.600 9.284 9.120 1.00 14.24 N ATOM 1647 CA ASP A 100 4.937 7.857 9.189 1.00 3.43 C ATOM 1648 C ASP A 100 4.093 7.069 8.158 1.00 0.31 C ATOM 1649 O ASP A 100 4.622 6.467 7.220 1.00 34.11 O ATOM 1650 CB ASP A 100 4.647 7.349 10.635 1.00 23.32 C ATOM 1651 CG ASP A 100 5.163 5.925 10.928 1.00 21.55 C ATOM 1652 OD1 ASP A 100 4.586 4.948 10.412 1.00 20.13 O ATOM 1653 OD2 ASP A 100 6.145 5.783 11.689 1.00 1.03 O ATOM 0 H ASP A 100 3.920 9.568 9.825 1.00 14.24 H new ATOM 0 HA ASP A 100 5.991 7.706 8.954 1.00 3.43 H new ATOM 0 HB2 ASP A 100 5.100 8.039 11.347 1.00 23.32 H new ATOM 0 HB3 ASP A 100 3.571 7.374 10.807 1.00 23.32 H new ATOM 1658 N THR A 101 2.770 7.133 8.345 1.00 22.42 N ATOM 1659 CA THR A 101 1.801 6.253 7.667 1.00 11.30 C ATOM 1660 C THR A 101 1.109 7.008 6.511 1.00 23.32 C ATOM 1661 O THR A 101 0.838 8.207 6.634 1.00 41.03 O ATOM 1662 CB THR A 101 0.744 5.752 8.710 1.00 51.23 C ATOM 1663 OG1 THR A 101 1.418 5.287 9.897 1.00 41.41 O ATOM 1664 CG2 THR A 101 -0.139 4.613 8.166 1.00 55.10 C ATOM 0 H THR A 101 2.333 7.803 8.978 1.00 22.42 H new ATOM 0 HA THR A 101 2.322 5.394 7.244 1.00 11.30 H new ATOM 0 HB THR A 101 0.095 6.599 8.933 1.00 51.23 H new ATOM 0 HG1 THR A 101 0.756 4.976 10.549 1.00 41.41 H new ATOM 0 HG21 THR A 101 -0.852 4.307 8.932 1.00 55.10 H new ATOM 0 HG22 THR A 101 -0.680 4.961 7.286 1.00 55.10 H new ATOM 0 HG23 THR A 101 0.488 3.764 7.895 1.00 55.10 H new ATOM 1672 N VAL A 102 0.812 6.305 5.401 1.00 70.30 N ATOM 1673 CA VAL A 102 0.172 6.906 4.216 1.00 71.42 C ATOM 1674 C VAL A 102 -1.326 6.521 4.163 1.00 44.33 C ATOM 1675 O VAL A 102 -1.673 5.341 4.124 1.00 74.41 O ATOM 1676 CB VAL A 102 0.920 6.508 2.884 1.00 32.03 C ATOM 1677 CG1 VAL A 102 1.050 4.981 2.694 1.00 52.01 C ATOM 1678 CG2 VAL A 102 0.272 7.177 1.651 1.00 45.31 C ATOM 0 H VAL A 102 1.008 5.309 5.301 1.00 70.30 H new ATOM 0 HA VAL A 102 0.244 7.990 4.305 1.00 71.42 H new ATOM 0 HB VAL A 102 1.936 6.890 2.981 1.00 32.03 H new ATOM 0 HG11 VAL A 102 1.573 4.774 1.760 1.00 52.01 H new ATOM 0 HG12 VAL A 102 1.612 4.557 3.526 1.00 52.01 H new ATOM 0 HG13 VAL A 102 0.057 4.533 2.661 1.00 52.01 H new ATOM 0 HG21 VAL A 102 0.812 6.882 0.751 1.00 45.31 H new ATOM 0 HG22 VAL A 102 -0.768 6.861 1.570 1.00 45.31 H new ATOM 0 HG23 VAL A 102 0.315 8.261 1.760 1.00 45.31 H new ATOM 1688 N THR A 103 -2.200 7.537 4.192 1.00 41.03 N ATOM 1689 CA THR A 103 -3.654 7.382 4.106 1.00 23.31 C ATOM 1690 C THR A 103 -4.101 7.678 2.660 1.00 41.34 C ATOM 1691 O THR A 103 -4.010 8.813 2.184 1.00 44.04 O ATOM 1692 CB THR A 103 -4.354 8.337 5.132 1.00 73.33 C ATOM 1693 OG1 THR A 103 -3.992 7.932 6.465 1.00 34.52 O ATOM 1694 CG2 THR A 103 -5.886 8.342 5.001 1.00 33.13 C ATOM 0 H THR A 103 -1.906 8.510 4.278 1.00 41.03 H new ATOM 0 HA THR A 103 -3.942 6.361 4.358 1.00 23.31 H new ATOM 0 HB THR A 103 -4.014 9.350 4.920 1.00 73.33 H new ATOM 0 HG1 THR A 103 -4.143 8.676 7.085 1.00 34.52 H new ATOM 0 HG21 THR A 103 -6.312 9.022 5.738 1.00 33.13 H new ATOM 0 HG22 THR A 103 -6.164 8.671 4.000 1.00 33.13 H new ATOM 0 HG23 THR A 103 -6.269 7.336 5.172 1.00 33.13 H new ATOM 1702 N VAL A 104 -4.539 6.629 1.964 1.00 44.01 N ATOM 1703 CA VAL A 104 -4.947 6.684 0.553 1.00 64.41 C ATOM 1704 C VAL A 104 -6.453 6.438 0.477 1.00 13.43 C ATOM 1705 O VAL A 104 -6.918 5.340 0.801 1.00 33.31 O ATOM 1706 CB VAL A 104 -4.171 5.602 -0.294 1.00 62.25 C ATOM 1707 CG1 VAL A 104 -4.507 5.681 -1.808 1.00 22.44 C ATOM 1708 CG2 VAL A 104 -2.654 5.723 -0.051 1.00 21.51 C ATOM 0 H VAL A 104 -4.623 5.697 2.370 1.00 44.01 H new ATOM 0 HA VAL A 104 -4.707 7.663 0.139 1.00 64.41 H new ATOM 0 HB VAL A 104 -4.504 4.621 0.044 1.00 62.25 H new ATOM 0 HG11 VAL A 104 -3.947 4.916 -2.345 1.00 22.44 H new ATOM 0 HG12 VAL A 104 -5.575 5.518 -1.953 1.00 22.44 H new ATOM 0 HG13 VAL A 104 -4.235 6.665 -2.190 1.00 22.44 H new ATOM 0 HG21 VAL A 104 -2.130 4.971 -0.641 1.00 21.51 H new ATOM 0 HG22 VAL A 104 -2.316 6.716 -0.347 1.00 21.51 H new ATOM 0 HG23 VAL A 104 -2.441 5.567 1.007 1.00 21.51 H new ATOM 1718 N GLU A 105 -7.211 7.470 0.083 1.00 43.22 N ATOM 1719 CA GLU A 105 -8.671 7.386 -0.022 1.00 71.33 C ATOM 1720 C GLU A 105 -9.052 6.980 -1.453 1.00 51.21 C ATOM 1721 O GLU A 105 -8.802 7.731 -2.408 1.00 41.51 O ATOM 1722 CB GLU A 105 -9.316 8.736 0.366 1.00 2.23 C ATOM 1723 CG GLU A 105 -10.858 8.734 0.332 1.00 73.24 C ATOM 1724 CD GLU A 105 -11.466 10.094 0.705 1.00 24.11 C ATOM 1725 OE1 GLU A 105 -11.644 10.371 1.907 1.00 63.14 O ATOM 1726 OE2 GLU A 105 -11.760 10.897 -0.205 1.00 22.13 O ATOM 0 H GLU A 105 -6.830 8.382 -0.170 1.00 43.22 H new ATOM 0 HA GLU A 105 -9.046 6.631 0.669 1.00 71.33 H new ATOM 0 HB2 GLU A 105 -8.986 9.008 1.369 1.00 2.23 H new ATOM 0 HB3 GLU A 105 -8.950 9.508 -0.311 1.00 2.23 H new ATOM 0 HG2 GLU A 105 -11.194 8.453 -0.666 1.00 73.24 H new ATOM 0 HG3 GLU A 105 -11.231 7.974 1.019 1.00 73.24 H new ATOM 1733 N GLY A 106 -9.639 5.781 -1.587 1.00 64.42 N ATOM 1734 CA GLY A 106 -9.983 5.216 -2.889 1.00 54.15 C ATOM 1735 C GLY A 106 -11.482 5.218 -3.161 1.00 62.42 C ATOM 1736 O GLY A 106 -12.280 4.913 -2.261 1.00 52.22 O ATOM 0 H GLY A 106 -9.885 5.184 -0.798 1.00 64.42 H new ATOM 0 HA2 GLY A 106 -9.477 5.783 -3.670 1.00 54.15 H new ATOM 0 HA3 GLY A 106 -9.610 4.193 -2.945 1.00 54.15 H new ATOM 1740 N GLN A 107 -11.857 5.576 -4.405 1.00 64.43 N ATOM 1741 CA GLN A 107 -13.238 5.458 -4.897 1.00 53.22 C ATOM 1742 C GLN A 107 -13.431 4.032 -5.429 1.00 50.52 C ATOM 1743 O GLN A 107 -12.748 3.607 -6.369 1.00 32.52 O ATOM 1744 CB GLN A 107 -13.528 6.545 -5.986 1.00 25.23 C ATOM 1745 CG GLN A 107 -14.995 6.628 -6.514 1.00 32.43 C ATOM 1746 CD GLN A 107 -15.360 5.582 -7.581 1.00 73.23 C ATOM 1747 OE1 GLN A 107 -14.516 5.144 -8.361 1.00 32.24 O ATOM 1748 NE2 GLN A 107 -16.618 5.196 -7.642 1.00 25.22 N ATOM 0 H GLN A 107 -11.208 5.955 -5.095 1.00 64.43 H new ATOM 0 HA GLN A 107 -13.952 5.634 -4.092 1.00 53.22 H new ATOM 0 HB2 GLN A 107 -13.257 7.518 -5.577 1.00 25.23 H new ATOM 0 HB3 GLN A 107 -12.870 6.361 -6.835 1.00 25.23 H new ATOM 0 HG2 GLN A 107 -15.676 6.518 -5.670 1.00 32.43 H new ATOM 0 HG3 GLN A 107 -15.160 7.622 -6.929 1.00 32.43 H new ATOM 0 HE21 GLN A 107 -17.300 5.574 -6.984 1.00 25.22 H new ATOM 0 HE22 GLN A 107 -16.910 4.520 -8.347 1.00 25.22 H new