USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 888 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 41 MET CE :methyl 164:sc= -1.63! (180deg=-1.78) USER MOD Set 1.2: A 119 SER OG : rot -97:sc= 0.905 USER MOD Single : A 29 SER OG : rot 170:sc= -0.417 USER MOD Single : A 30 ASN : amide:sc= -0.0528 K(o=-0.053,f=-0.63) USER MOD Single : A 32 LYS NZ :NH3+ 169:sc= 1.35 (180deg=1.04) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -142:sc= 1.65 (180deg=1.15) USER MOD Single : A 44 LYS NZ :NH3+ 168:sc=-0.00447 (180deg=-0.129) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 49:sc= 0.0536 USER MOD Single : A 57 LYS NZ :NH3+ -168:sc= -0.0196 (180deg=-0.193) USER MOD Single : A 58 LYS NZ :NH3+ 166:sc= -0.0125 (180deg=-0.188) USER MOD Single : A 64 LYS NZ :NH3+ -131:sc= -0.0235 (180deg=-0.443) USER MOD Single : A 65 SER OG : rot 65:sc= 1.31 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 129:sc= -1.13 USER MOD Single : A 80 LYS NZ :NH3+ -166:sc= -0.0499 (180deg=-0.31) USER MOD Single : A 84 LYS NZ :NH3+ 162:sc= -0.0596 (180deg=-0.41) USER MOD Single : A 86 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0148) USER MOD Single : A 87 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0215) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 1.31 (180deg=1.31) USER MOD Single : A 92 LYS NZ :NH3+ -165:sc= 0.358 (180deg=0.0663) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -173:sc= 1.43 (180deg=1.1) USER MOD Single : A 97 ASN : amide:sc= -0.0186 K(o=-0.019,f=-1.6!) USER MOD Single : A 104 LYS NZ :NH3+ -157:sc= 1.21 (180deg=1.17) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 18:sc= 1.19 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 22 -4.635 12.564 -4.622 1.00 1.16 N ATOM 2 CA GLY A 22 -4.250 12.008 -3.300 1.00 1.05 C ATOM 3 C GLY A 22 -3.687 10.610 -3.420 1.00 0.87 C ATOM 4 O GLY A 22 -4.056 9.867 -4.329 1.00 0.89 O ATOM 0 HA2 GLY A 22 -3.510 12.659 -2.834 1.00 1.05 H new ATOM 0 HA3 GLY A 22 -5.121 11.994 -2.644 1.00 1.05 H new ATOM 7 N LEU A 23 -2.784 10.249 -2.514 1.00 0.75 N ATOM 8 CA LEU A 23 -2.141 8.943 -2.559 1.00 0.62 C ATOM 9 C LEU A 23 -2.308 8.194 -1.246 1.00 0.51 C ATOM 10 O LEU A 23 -2.121 8.755 -0.166 1.00 0.59 O ATOM 11 CB LEU A 23 -0.644 9.074 -2.873 1.00 0.75 C ATOM 12 CG LEU A 23 -0.289 9.512 -4.298 1.00 1.22 C ATOM 13 CD1 LEU A 23 -1.069 8.693 -5.316 1.00 1.78 C ATOM 14 CD2 LEU A 23 -0.532 11.003 -4.495 1.00 1.91 C ATOM 0 H LEU A 23 -2.482 10.842 -1.741 1.00 0.75 H new ATOM 0 HA LEU A 23 -2.629 8.379 -3.354 1.00 0.62 H new ATOM 0 HB2 LEU A 23 -0.209 9.790 -2.176 1.00 0.75 H new ATOM 0 HB3 LEU A 23 -0.168 8.112 -2.681 1.00 0.75 H new ATOM 0 HG LEU A 23 0.774 9.330 -4.453 1.00 1.22 H new ATOM 0 HD11 LEU A 23 -0.805 9.017 -6.323 1.00 1.78 H new ATOM 0 HD12 LEU A 23 -0.824 7.637 -5.198 1.00 1.78 H new ATOM 0 HD13 LEU A 23 -2.138 8.837 -5.157 1.00 1.78 H new ATOM 0 HD21 LEU A 23 -0.271 11.282 -5.516 1.00 1.91 H new ATOM 0 HD22 LEU A 23 -1.583 11.227 -4.315 1.00 1.91 H new ATOM 0 HD23 LEU A 23 0.084 11.568 -3.795 1.00 1.91 H new ATOM 26 N LEU A 24 -2.665 6.924 -1.353 1.00 0.40 N ATOM 27 CA LEU A 24 -2.711 6.041 -0.202 1.00 0.39 C ATOM 28 C LEU A 24 -1.875 4.807 -0.496 1.00 0.38 C ATOM 29 O LEU A 24 -2.178 4.049 -1.419 1.00 0.50 O ATOM 30 CB LEU A 24 -4.152 5.637 0.128 1.00 0.44 C ATOM 31 CG LEU A 24 -4.318 4.745 1.363 1.00 0.50 C ATOM 32 CD1 LEU A 24 -3.927 5.490 2.627 1.00 1.02 C ATOM 33 CD2 LEU A 24 -5.746 4.237 1.470 1.00 1.24 C ATOM 0 H LEU A 24 -2.929 6.481 -2.233 1.00 0.40 H new ATOM 0 HA LEU A 24 -2.309 6.566 0.664 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -4.741 6.543 0.273 1.00 0.44 H new ATOM 0 HB3 LEU A 24 -4.572 5.118 -0.733 1.00 0.44 H new ATOM 0 HG LEU A 24 -3.653 3.889 1.251 1.00 0.50 H new ATOM 0 HD11 LEU A 24 -4.054 4.835 3.489 1.00 1.02 H new ATOM 0 HD12 LEU A 24 -2.885 5.802 2.558 1.00 1.02 H new ATOM 0 HD13 LEU A 24 -4.561 6.369 2.742 1.00 1.02 H new ATOM 0 HD21 LEU A 24 -5.842 3.606 2.353 1.00 1.24 H new ATOM 0 HD22 LEU A 24 -6.428 5.083 1.553 1.00 1.24 H new ATOM 0 HD23 LEU A 24 -5.993 3.657 0.581 1.00 1.24 H new ATOM 45 N VAL A 25 -0.813 4.621 0.265 1.00 0.37 N ATOM 46 CA VAL A 25 0.091 3.512 0.033 1.00 0.40 C ATOM 47 C VAL A 25 -0.146 2.413 1.060 1.00 0.42 C ATOM 48 O VAL A 25 0.042 2.618 2.258 1.00 0.56 O ATOM 49 CB VAL A 25 1.569 3.955 0.084 1.00 0.49 C ATOM 50 CG1 VAL A 25 2.489 2.803 -0.302 1.00 0.95 C ATOM 51 CG2 VAL A 25 1.803 5.155 -0.824 1.00 0.84 C ATOM 0 H VAL A 25 -0.556 5.223 1.048 1.00 0.37 H new ATOM 0 HA VAL A 25 -0.114 3.131 -0.967 1.00 0.40 H new ATOM 0 HB VAL A 25 1.801 4.251 1.107 1.00 0.49 H new ATOM 0 HG11 VAL A 25 3.526 3.136 -0.260 1.00 0.95 H new ATOM 0 HG12 VAL A 25 2.345 1.974 0.392 1.00 0.95 H new ATOM 0 HG13 VAL A 25 2.255 2.474 -1.314 1.00 0.95 H new ATOM 0 HG21 VAL A 25 2.851 5.451 -0.773 1.00 0.84 H new ATOM 0 HG22 VAL A 25 1.550 4.889 -1.850 1.00 0.84 H new ATOM 0 HG23 VAL A 25 1.175 5.985 -0.499 1.00 0.84 H new ATOM 61 N LEU A 26 -0.582 1.258 0.590 1.00 0.46 N ATOM 62 CA LEU A 26 -0.807 0.119 1.457 1.00 0.57 C ATOM 63 C LEU A 26 0.304 -0.895 1.241 1.00 0.51 C ATOM 64 O LEU A 26 0.641 -1.213 0.103 1.00 0.58 O ATOM 65 CB LEU A 26 -2.167 -0.519 1.161 1.00 0.75 C ATOM 66 CG LEU A 26 -3.361 0.447 1.111 1.00 0.74 C ATOM 67 CD1 LEU A 26 -4.636 -0.289 0.726 1.00 1.17 C ATOM 68 CD2 LEU A 26 -3.552 1.154 2.443 1.00 1.00 C ATOM 0 H LEU A 26 -0.788 1.085 -0.394 1.00 0.46 H new ATOM 0 HA LEU A 26 -0.805 0.450 2.495 1.00 0.57 H new ATOM 0 HB2 LEU A 26 -2.103 -1.038 0.205 1.00 0.75 H new ATOM 0 HB3 LEU A 26 -2.366 -1.274 1.921 1.00 0.75 H new ATOM 0 HG LEU A 26 -3.145 1.197 0.351 1.00 0.74 H new ATOM 0 HD11 LEU A 26 -5.468 0.415 0.697 1.00 1.17 H new ATOM 0 HD12 LEU A 26 -4.511 -0.744 -0.257 1.00 1.17 H new ATOM 0 HD13 LEU A 26 -4.844 -1.066 1.462 1.00 1.17 H new ATOM 0 HD21 LEU A 26 -4.404 1.831 2.377 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -3.735 0.416 3.224 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -2.654 1.723 2.685 1.00 1.00 H new ATOM 80 N ILE A 27 0.882 -1.389 2.318 1.00 0.50 N ATOM 81 CA ILE A 27 1.988 -2.321 2.210 1.00 0.49 C ATOM 82 C ILE A 27 1.755 -3.543 3.088 1.00 0.51 C ATOM 83 O ILE A 27 1.235 -3.435 4.203 1.00 0.72 O ATOM 84 CB ILE A 27 3.332 -1.648 2.587 1.00 0.59 C ATOM 85 CG1 ILE A 27 4.499 -2.627 2.406 1.00 0.87 C ATOM 86 CG2 ILE A 27 3.290 -1.119 4.017 1.00 1.00 C ATOM 87 CD1 ILE A 27 5.859 -2.022 2.686 1.00 0.96 C ATOM 0 H ILE A 27 0.606 -1.162 3.274 1.00 0.50 H new ATOM 0 HA ILE A 27 2.044 -2.640 1.169 1.00 0.49 H new ATOM 0 HB ILE A 27 3.488 -0.803 1.916 1.00 0.59 H new ATOM 0 HG12 ILE A 27 4.349 -3.481 3.067 1.00 0.87 H new ATOM 0 HG13 ILE A 27 4.485 -3.008 1.385 1.00 0.87 H new ATOM 0 HG21 ILE A 27 4.244 -0.651 4.260 1.00 1.00 H new ATOM 0 HG22 ILE A 27 2.491 -0.384 4.110 1.00 1.00 H new ATOM 0 HG23 ILE A 27 3.105 -1.944 4.705 1.00 1.00 H new ATOM 0 HD11 ILE A 27 6.631 -2.777 2.536 1.00 0.96 H new ATOM 0 HD12 ILE A 27 6.032 -1.186 2.008 1.00 0.96 H new ATOM 0 HD13 ILE A 27 5.894 -1.667 3.716 1.00 0.96 H new ATOM 99 N TRP A 28 2.105 -4.709 2.574 1.00 0.45 N ATOM 100 CA TRP A 28 2.071 -5.918 3.368 1.00 0.48 C ATOM 101 C TRP A 28 3.273 -6.782 3.015 1.00 0.48 C ATOM 102 O TRP A 28 3.257 -7.548 2.049 1.00 0.49 O ATOM 103 CB TRP A 28 0.760 -6.667 3.109 1.00 0.56 C ATOM 104 CG TRP A 28 0.480 -7.774 4.079 1.00 0.89 C ATOM 105 CD1 TRP A 28 -0.110 -7.656 5.303 1.00 1.53 C ATOM 106 CD2 TRP A 28 0.760 -9.167 3.902 1.00 1.15 C ATOM 107 NE1 TRP A 28 -0.206 -8.887 5.902 1.00 2.09 N ATOM 108 CE2 TRP A 28 0.318 -9.832 5.061 1.00 1.83 C ATOM 109 CE3 TRP A 28 1.343 -9.917 2.880 1.00 1.19 C ATOM 110 CZ2 TRP A 28 0.439 -11.208 5.222 1.00 2.26 C ATOM 111 CZ3 TRP A 28 1.463 -11.282 3.041 1.00 1.61 C ATOM 112 CH2 TRP A 28 1.013 -11.916 4.203 1.00 2.06 C ATOM 0 H TRP A 28 2.415 -4.841 1.611 1.00 0.45 H new ATOM 0 HA TRP A 28 2.118 -5.671 4.429 1.00 0.48 H new ATOM 0 HB2 TRP A 28 -0.064 -5.955 3.141 1.00 0.56 H new ATOM 0 HB3 TRP A 28 0.785 -7.081 2.101 1.00 0.56 H new ATOM 0 HD1 TRP A 28 -0.452 -6.728 5.738 1.00 1.53 H new ATOM 0 HE1 TRP A 28 -0.603 -9.068 6.824 1.00 2.09 H new ATOM 0 HE3 TRP A 28 1.694 -9.437 1.978 1.00 1.19 H new ATOM 0 HZ2 TRP A 28 0.092 -11.699 6.119 1.00 2.26 H new ATOM 0 HZ3 TRP A 28 1.913 -11.871 2.255 1.00 1.61 H new ATOM 0 HH2 TRP A 28 1.121 -12.986 4.298 1.00 2.06 H new ATOM 123 N SER A 29 4.331 -6.617 3.787 1.00 0.50 N ATOM 124 CA SER A 29 5.543 -7.404 3.638 1.00 0.54 C ATOM 125 C SER A 29 6.163 -7.631 5.007 1.00 0.60 C ATOM 126 O SER A 29 5.725 -7.026 5.988 1.00 0.87 O ATOM 127 CB SER A 29 6.535 -6.674 2.726 1.00 0.57 C ATOM 128 OG SER A 29 5.934 -6.340 1.487 1.00 1.29 O ATOM 0 H SER A 29 4.375 -5.930 4.539 1.00 0.50 H new ATOM 0 HA SER A 29 5.298 -8.365 3.186 1.00 0.54 H new ATOM 0 HB2 SER A 29 6.889 -5.768 3.219 1.00 0.57 H new ATOM 0 HB3 SER A 29 7.407 -7.304 2.553 1.00 0.57 H new ATOM 0 HG SER A 29 6.526 -5.739 0.988 1.00 1.29 H new ATOM 134 N ASN A 30 7.175 -8.477 5.087 1.00 0.65 N ATOM 135 CA ASN A 30 7.984 -8.535 6.291 1.00 0.69 C ATOM 136 C ASN A 30 9.454 -8.561 5.904 1.00 0.68 C ATOM 137 O ASN A 30 10.139 -9.580 6.011 1.00 0.75 O ATOM 138 CB ASN A 30 7.627 -9.766 7.135 1.00 0.81 C ATOM 139 CG ASN A 30 8.430 -9.844 8.423 1.00 1.55 C ATOM 140 OD1 ASN A 30 8.803 -8.823 9.003 1.00 2.33 O ATOM 141 ND2 ASN A 30 8.705 -11.058 8.874 1.00 2.23 N ATOM 0 H ASN A 30 7.453 -9.122 4.347 1.00 0.65 H new ATOM 0 HA ASN A 30 7.783 -7.651 6.897 1.00 0.69 H new ATOM 0 HB2 ASN A 30 6.564 -9.742 7.375 1.00 0.81 H new ATOM 0 HB3 ASN A 30 7.801 -10.668 6.548 1.00 0.81 H new ATOM 0 HD21 ASN A 30 9.245 -11.173 9.732 1.00 2.23 H new ATOM 0 HD22 ASN A 30 8.377 -11.878 8.364 1.00 2.23 H new ATOM 148 N ASP A 31 9.912 -7.424 5.412 1.00 0.63 N ATOM 149 CA ASP A 31 11.320 -7.182 5.168 1.00 0.64 C ATOM 150 C ASP A 31 11.792 -6.005 6.005 1.00 0.65 C ATOM 151 O ASP A 31 11.078 -5.014 6.152 1.00 0.78 O ATOM 152 CB ASP A 31 11.577 -6.927 3.685 1.00 0.67 C ATOM 153 CG ASP A 31 13.010 -6.533 3.415 1.00 0.72 C ATOM 154 OD1 ASP A 31 13.223 -5.495 2.767 1.00 1.45 O ATOM 155 OD2 ASP A 31 13.932 -7.244 3.872 1.00 1.13 O ATOM 0 H ASP A 31 9.311 -6.637 5.169 1.00 0.63 H new ATOM 0 HA ASP A 31 11.884 -8.069 5.457 1.00 0.64 H new ATOM 0 HB2 ASP A 31 11.335 -7.825 3.116 1.00 0.67 H new ATOM 0 HB3 ASP A 31 10.912 -6.138 3.333 1.00 0.67 H new ATOM 160 N LYS A 32 12.997 -6.116 6.538 1.00 0.69 N ATOM 161 CA LYS A 32 13.578 -5.060 7.358 1.00 0.77 C ATOM 162 C LYS A 32 13.863 -3.808 6.530 1.00 0.71 C ATOM 163 O LYS A 32 13.824 -2.694 7.049 1.00 0.77 O ATOM 164 CB LYS A 32 14.863 -5.550 8.035 1.00 0.97 C ATOM 165 CG LYS A 32 15.976 -5.940 7.069 1.00 1.52 C ATOM 166 CD LYS A 32 16.472 -7.351 7.344 1.00 2.06 C ATOM 167 CE LYS A 32 15.406 -8.395 7.037 1.00 2.28 C ATOM 168 NZ LYS A 32 15.365 -8.754 5.594 1.00 3.05 N ATOM 0 H LYS A 32 13.598 -6.932 6.418 1.00 0.69 H new ATOM 0 HA LYS A 32 12.851 -4.799 8.127 1.00 0.77 H new ATOM 0 HB2 LYS A 32 15.232 -4.767 8.697 1.00 0.97 H new ATOM 0 HB3 LYS A 32 14.624 -6.410 8.661 1.00 0.97 H new ATOM 0 HG2 LYS A 32 15.612 -5.873 6.044 1.00 1.52 H new ATOM 0 HG3 LYS A 32 16.803 -5.236 7.160 1.00 1.52 H new ATOM 0 HD2 LYS A 32 17.359 -7.549 6.741 1.00 2.06 H new ATOM 0 HD3 LYS A 32 16.772 -7.434 8.389 1.00 2.06 H new ATOM 0 HE2 LYS A 32 15.598 -9.291 7.627 1.00 2.28 H new ATOM 0 HE3 LYS A 32 14.431 -8.016 7.342 1.00 2.28 H new ATOM 0 HZ1 LYS A 32 14.763 -9.592 5.462 1.00 3.05 H new ATOM 0 HZ2 LYS A 32 14.976 -7.958 5.049 1.00 3.05 H new ATOM 0 HZ3 LYS A 32 16.328 -8.964 5.261 1.00 3.05 H new ATOM 182 N LYS A 33 14.145 -3.993 5.245 1.00 0.71 N ATOM 183 CA LYS A 33 14.437 -2.873 4.363 1.00 0.75 C ATOM 184 C LYS A 33 13.140 -2.222 3.898 1.00 0.64 C ATOM 185 O LYS A 33 12.946 -1.022 4.073 1.00 0.63 O ATOM 186 CB LYS A 33 15.250 -3.338 3.150 1.00 0.94 C ATOM 187 CG LYS A 33 16.546 -4.049 3.507 1.00 1.55 C ATOM 188 CD LYS A 33 17.213 -4.625 2.267 1.00 2.09 C ATOM 189 CE LYS A 33 18.488 -5.376 2.609 1.00 2.72 C ATOM 190 NZ LYS A 33 19.097 -6.009 1.408 1.00 3.16 N ATOM 0 H LYS A 33 14.177 -4.907 4.793 1.00 0.71 H new ATOM 0 HA LYS A 33 15.026 -2.143 4.918 1.00 0.75 H new ATOM 0 HB2 LYS A 33 14.635 -4.007 2.549 1.00 0.94 H new ATOM 0 HB3 LYS A 33 15.482 -2.473 2.528 1.00 0.94 H new ATOM 0 HG2 LYS A 33 17.224 -3.351 3.998 1.00 1.55 H new ATOM 0 HG3 LYS A 33 16.342 -4.849 4.219 1.00 1.55 H new ATOM 0 HD2 LYS A 33 16.520 -5.297 1.761 1.00 2.09 H new ATOM 0 HD3 LYS A 33 17.442 -3.819 1.570 1.00 2.09 H new ATOM 0 HE2 LYS A 33 19.204 -4.689 3.060 1.00 2.72 H new ATOM 0 HE3 LYS A 33 18.270 -6.143 3.352 1.00 2.72 H new ATOM 0 HZ1 LYS A 33 19.965 -6.512 1.683 1.00 3.16 H new ATOM 0 HZ2 LYS A 33 18.423 -6.683 0.992 1.00 3.16 H new ATOM 0 HZ3 LYS A 33 19.329 -5.275 0.709 1.00 3.16 H new ATOM 204 N LEU A 34 12.252 -3.032 3.321 1.00 0.62 N ATOM 205 CA LEU A 34 10.963 -2.551 2.823 1.00 0.61 C ATOM 206 C LEU A 34 10.214 -1.748 3.874 1.00 0.54 C ATOM 207 O LEU A 34 9.855 -0.596 3.640 1.00 0.61 O ATOM 208 CB LEU A 34 10.078 -3.717 2.379 1.00 0.66 C ATOM 209 CG LEU A 34 10.551 -4.477 1.137 1.00 0.80 C ATOM 210 CD1 LEU A 34 9.622 -5.646 0.841 1.00 1.22 C ATOM 211 CD2 LEU A 34 10.619 -3.543 -0.059 1.00 1.59 C ATOM 0 H LEU A 34 12.404 -4.032 3.186 1.00 0.62 H new ATOM 0 HA LEU A 34 11.181 -1.905 1.972 1.00 0.61 H new ATOM 0 HB2 LEU A 34 9.998 -4.423 3.205 1.00 0.66 H new ATOM 0 HB3 LEU A 34 9.075 -3.335 2.188 1.00 0.66 H new ATOM 0 HG LEU A 34 11.549 -4.869 1.332 1.00 0.80 H new ATOM 0 HD11 LEU A 34 9.973 -6.175 -0.045 1.00 1.22 H new ATOM 0 HD12 LEU A 34 9.613 -6.328 1.691 1.00 1.22 H new ATOM 0 HD13 LEU A 34 8.613 -5.273 0.665 1.00 1.22 H new ATOM 0 HD21 LEU A 34 10.957 -4.097 -0.935 1.00 1.59 H new ATOM 0 HD22 LEU A 34 9.630 -3.127 -0.252 1.00 1.59 H new ATOM 0 HD23 LEU A 34 11.319 -2.734 0.150 1.00 1.59 H new ATOM 223 N ILE A 35 9.993 -2.355 5.034 1.00 0.48 N ATOM 224 CA ILE A 35 9.176 -1.731 6.067 1.00 0.49 C ATOM 225 C ILE A 35 9.821 -0.440 6.575 1.00 0.48 C ATOM 226 O ILE A 35 9.126 0.528 6.897 1.00 0.53 O ATOM 227 CB ILE A 35 8.914 -2.700 7.244 1.00 0.55 C ATOM 228 CG1 ILE A 35 8.202 -3.961 6.745 1.00 0.61 C ATOM 229 CG2 ILE A 35 8.082 -2.024 8.326 1.00 0.64 C ATOM 230 CD1 ILE A 35 7.938 -4.984 7.830 1.00 1.01 C ATOM 0 H ILE A 35 10.365 -3.272 5.282 1.00 0.48 H new ATOM 0 HA ILE A 35 8.217 -1.482 5.614 1.00 0.49 H new ATOM 0 HB ILE A 35 9.875 -2.982 7.674 1.00 0.55 H new ATOM 0 HG12 ILE A 35 7.254 -3.675 6.290 1.00 0.61 H new ATOM 0 HG13 ILE A 35 8.805 -4.422 5.963 1.00 0.61 H new ATOM 0 HG21 ILE A 35 7.910 -2.724 9.144 1.00 0.64 H new ATOM 0 HG22 ILE A 35 8.615 -1.151 8.702 1.00 0.64 H new ATOM 0 HG23 ILE A 35 7.125 -1.713 7.908 1.00 0.64 H new ATOM 0 HD11 ILE A 35 7.432 -5.848 7.400 1.00 1.01 H new ATOM 0 HD12 ILE A 35 8.884 -5.300 8.270 1.00 1.01 H new ATOM 0 HD13 ILE A 35 7.308 -4.541 8.602 1.00 1.01 H new ATOM 242 N GLU A 36 11.147 -0.413 6.610 1.00 0.50 N ATOM 243 CA GLU A 36 11.861 0.751 7.107 1.00 0.53 C ATOM 244 C GLU A 36 11.888 1.871 6.067 1.00 0.48 C ATOM 245 O GLU A 36 11.603 3.027 6.389 1.00 0.51 O ATOM 246 CB GLU A 36 13.284 0.372 7.514 1.00 0.66 C ATOM 247 CG GLU A 36 14.039 1.503 8.191 1.00 1.22 C ATOM 248 CD GLU A 36 15.411 1.088 8.669 1.00 1.73 C ATOM 249 OE1 GLU A 36 16.415 1.485 8.038 1.00 2.62 O ATOM 250 OE2 GLU A 36 15.498 0.357 9.676 1.00 2.01 O ATOM 0 H GLU A 36 11.745 -1.180 6.302 1.00 0.50 H new ATOM 0 HA GLU A 36 11.329 1.118 7.985 1.00 0.53 H new ATOM 0 HB2 GLU A 36 13.246 -0.484 8.188 1.00 0.66 H new ATOM 0 HB3 GLU A 36 13.835 0.056 6.628 1.00 0.66 H new ATOM 0 HG2 GLU A 36 14.138 2.335 7.494 1.00 1.22 H new ATOM 0 HG3 GLU A 36 13.458 1.865 9.039 1.00 1.22 H new ATOM 257 N GLU A 37 12.214 1.526 4.824 1.00 0.48 N ATOM 258 CA GLU A 37 12.350 2.521 3.763 1.00 0.51 C ATOM 259 C GLU A 37 10.996 3.097 3.361 1.00 0.44 C ATOM 260 O GLU A 37 10.878 4.295 3.102 1.00 0.48 O ATOM 261 CB GLU A 37 13.041 1.921 2.537 1.00 0.65 C ATOM 262 CG GLU A 37 14.461 1.451 2.803 1.00 0.80 C ATOM 263 CD GLU A 37 15.364 2.553 3.315 1.00 0.91 C ATOM 264 OE1 GLU A 37 15.782 3.415 2.512 1.00 1.61 O ATOM 265 OE2 GLU A 37 15.685 2.549 4.518 1.00 1.55 O ATOM 0 H GLU A 37 12.389 0.566 4.527 1.00 0.48 H new ATOM 0 HA GLU A 37 12.965 3.330 4.157 1.00 0.51 H new ATOM 0 HB2 GLU A 37 12.451 1.079 2.175 1.00 0.65 H new ATOM 0 HB3 GLU A 37 13.057 2.665 1.740 1.00 0.65 H new ATOM 0 HG2 GLU A 37 14.439 0.640 3.531 1.00 0.80 H new ATOM 0 HG3 GLU A 37 14.881 1.043 1.884 1.00 0.80 H new ATOM 272 N ALA A 38 9.975 2.246 3.312 1.00 0.40 N ATOM 273 CA ALA A 38 8.630 2.695 2.971 1.00 0.42 C ATOM 274 C ALA A 38 8.133 3.706 3.994 1.00 0.39 C ATOM 275 O ALA A 38 7.506 4.705 3.643 1.00 0.42 O ATOM 276 CB ALA A 38 7.675 1.516 2.882 1.00 0.50 C ATOM 0 H ALA A 38 10.053 1.247 3.503 1.00 0.40 H new ATOM 0 HA ALA A 38 8.668 3.178 1.995 1.00 0.42 H new ATOM 0 HB1 ALA A 38 6.678 1.874 2.627 1.00 0.50 H new ATOM 0 HB2 ALA A 38 8.021 0.825 2.113 1.00 0.50 H new ATOM 0 HB3 ALA A 38 7.641 1.002 3.843 1.00 0.50 H new ATOM 282 N ARG A 39 8.438 3.442 5.260 1.00 0.41 N ATOM 283 CA ARG A 39 8.071 4.344 6.348 1.00 0.50 C ATOM 284 C ARG A 39 8.796 5.681 6.199 1.00 0.46 C ATOM 285 O ARG A 39 8.220 6.742 6.442 1.00 0.52 O ATOM 286 CB ARG A 39 8.410 3.711 7.703 1.00 0.62 C ATOM 287 CG ARG A 39 8.107 4.610 8.893 1.00 1.18 C ATOM 288 CD ARG A 39 8.550 3.974 10.202 1.00 1.43 C ATOM 289 NE ARG A 39 8.483 4.915 11.322 1.00 1.88 N ATOM 290 CZ ARG A 39 9.532 5.269 12.066 1.00 2.58 C ATOM 291 NH1 ARG A 39 10.736 4.769 11.810 1.00 2.84 N ATOM 292 NH2 ARG A 39 9.379 6.126 13.066 1.00 3.48 N ATOM 0 H ARG A 39 8.941 2.607 5.560 1.00 0.41 H new ATOM 0 HA ARG A 39 6.996 4.521 6.302 1.00 0.50 H new ATOM 0 HB2 ARG A 39 7.851 2.782 7.810 1.00 0.62 H new ATOM 0 HB3 ARG A 39 9.468 3.449 7.717 1.00 0.62 H new ATOM 0 HG2 ARG A 39 8.611 5.568 8.764 1.00 1.18 H new ATOM 0 HG3 ARG A 39 7.037 4.816 8.931 1.00 1.18 H new ATOM 0 HD2 ARG A 39 7.920 3.111 10.416 1.00 1.43 H new ATOM 0 HD3 ARG A 39 9.571 3.606 10.099 1.00 1.43 H new ATOM 0 HE ARG A 39 7.577 5.326 11.547 1.00 1.88 H new ATOM 0 HH11 ARG A 39 10.862 4.111 11.041 1.00 2.84 H new ATOM 0 HH12 ARG A 39 11.534 5.043 12.382 1.00 2.84 H new ATOM 0 HH21 ARG A 39 8.458 6.516 13.267 1.00 3.48 H new ATOM 0 HH22 ARG A 39 10.182 6.396 13.634 1.00 3.48 H new ATOM 306 N LYS A 40 10.059 5.617 5.787 1.00 0.45 N ATOM 307 CA LYS A 40 10.865 6.817 5.584 1.00 0.49 C ATOM 308 C LYS A 40 10.279 7.689 4.483 1.00 0.42 C ATOM 309 O LYS A 40 10.116 8.896 4.658 1.00 0.47 O ATOM 310 CB LYS A 40 12.302 6.444 5.218 1.00 0.62 C ATOM 311 CG LYS A 40 13.085 5.815 6.352 1.00 1.06 C ATOM 312 CD LYS A 40 14.448 5.354 5.874 1.00 1.58 C ATOM 313 CE LYS A 40 15.279 4.781 7.006 1.00 2.12 C ATOM 314 NZ LYS A 40 16.497 4.099 6.500 1.00 2.95 N ATOM 0 H LYS A 40 10.548 4.744 5.587 1.00 0.45 H new ATOM 0 HA LYS A 40 10.862 7.377 6.519 1.00 0.49 H new ATOM 0 HB2 LYS A 40 12.283 5.752 4.376 1.00 0.62 H new ATOM 0 HB3 LYS A 40 12.825 7.340 4.883 1.00 0.62 H new ATOM 0 HG2 LYS A 40 13.203 6.535 7.162 1.00 1.06 H new ATOM 0 HG3 LYS A 40 12.531 4.968 6.757 1.00 1.06 H new ATOM 0 HD2 LYS A 40 14.324 4.600 5.096 1.00 1.58 H new ATOM 0 HD3 LYS A 40 14.978 6.193 5.423 1.00 1.58 H new ATOM 0 HE2 LYS A 40 15.566 5.581 7.688 1.00 2.12 H new ATOM 0 HE3 LYS A 40 14.677 4.075 7.578 1.00 2.12 H new ATOM 0 HZ1 LYS A 40 16.680 3.247 7.068 1.00 2.95 H new ATOM 0 HZ2 LYS A 40 16.355 3.828 5.506 1.00 2.95 H new ATOM 0 HZ3 LYS A 40 17.310 4.743 6.571 1.00 2.95 H new ATOM 328 N MET A 41 9.963 7.070 3.352 1.00 0.39 N ATOM 329 CA MET A 41 9.431 7.799 2.208 1.00 0.41 C ATOM 330 C MET A 41 8.054 8.362 2.544 1.00 0.42 C ATOM 331 O MET A 41 7.781 9.540 2.314 1.00 0.52 O ATOM 332 CB MET A 41 9.352 6.882 0.978 1.00 0.48 C ATOM 333 CG MET A 41 9.379 7.616 -0.361 1.00 0.69 C ATOM 334 SD MET A 41 8.061 8.832 -0.541 1.00 1.10 S ATOM 335 CE MET A 41 8.518 9.601 -2.086 1.00 1.55 C ATOM 0 H MET A 41 10.066 6.066 3.203 1.00 0.39 H new ATOM 0 HA MET A 41 10.101 8.627 1.975 1.00 0.41 H new ATOM 0 HB2 MET A 41 10.185 6.180 1.010 1.00 0.48 H new ATOM 0 HB3 MET A 41 8.436 6.294 1.037 1.00 0.48 H new ATOM 0 HG2 MET A 41 10.341 8.116 -0.473 1.00 0.69 H new ATOM 0 HG3 MET A 41 9.303 6.887 -1.168 1.00 0.69 H new ATOM 0 HE1 MET A 41 7.671 10.164 -2.477 1.00 1.55 H new ATOM 0 HE2 MET A 41 9.358 10.276 -1.922 1.00 1.55 H new ATOM 0 HE3 MET A 41 8.805 8.833 -2.804 1.00 1.55 H new ATOM 345 N ALA A 42 7.201 7.521 3.120 1.00 0.40 N ATOM 346 CA ALA A 42 5.858 7.933 3.507 1.00 0.49 C ATOM 347 C ALA A 42 5.903 9.132 4.445 1.00 0.51 C ATOM 348 O ALA A 42 5.050 10.013 4.383 1.00 0.59 O ATOM 349 CB ALA A 42 5.114 6.781 4.160 1.00 0.58 C ATOM 0 H ALA A 42 7.418 6.547 3.329 1.00 0.40 H new ATOM 0 HA ALA A 42 5.324 8.227 2.604 1.00 0.49 H new ATOM 0 HB1 ALA A 42 4.113 7.108 4.442 1.00 0.58 H new ATOM 0 HB2 ALA A 42 5.040 5.951 3.458 1.00 0.58 H new ATOM 0 HB3 ALA A 42 5.654 6.457 5.050 1.00 0.58 H new ATOM 355 N GLU A 43 6.903 9.163 5.310 1.00 0.50 N ATOM 356 CA GLU A 43 7.097 10.286 6.215 1.00 0.60 C ATOM 357 C GLU A 43 7.598 11.504 5.438 1.00 0.62 C ATOM 358 O GLU A 43 7.116 12.621 5.624 1.00 0.73 O ATOM 359 CB GLU A 43 8.101 9.907 7.307 1.00 0.67 C ATOM 360 CG GLU A 43 8.210 10.926 8.425 1.00 0.97 C ATOM 361 CD GLU A 43 6.902 11.107 9.166 1.00 1.62 C ATOM 362 OE1 GLU A 43 6.501 10.185 9.906 1.00 2.16 O ATOM 363 OE2 GLU A 43 6.275 12.172 9.017 1.00 2.38 O ATOM 0 H GLU A 43 7.596 8.421 5.405 1.00 0.50 H new ATOM 0 HA GLU A 43 6.144 10.536 6.682 1.00 0.60 H new ATOM 0 HB2 GLU A 43 7.814 8.945 7.732 1.00 0.67 H new ATOM 0 HB3 GLU A 43 9.083 9.774 6.853 1.00 0.67 H new ATOM 0 HG2 GLU A 43 8.982 10.611 9.127 1.00 0.97 H new ATOM 0 HG3 GLU A 43 8.526 11.884 8.011 1.00 0.97 H new ATOM 370 N LYS A 44 8.545 11.261 4.543 1.00 0.58 N ATOM 371 CA LYS A 44 9.187 12.307 3.772 1.00 0.66 C ATOM 372 C LYS A 44 8.191 13.051 2.882 1.00 0.66 C ATOM 373 O LYS A 44 8.257 14.273 2.755 1.00 0.70 O ATOM 374 CB LYS A 44 10.287 11.675 2.926 1.00 0.76 C ATOM 375 CG LYS A 44 11.127 12.668 2.159 1.00 1.29 C ATOM 376 CD LYS A 44 12.229 11.966 1.390 1.00 1.69 C ATOM 377 CE LYS A 44 13.092 12.966 0.657 1.00 2.09 C ATOM 378 NZ LYS A 44 13.908 13.787 1.590 1.00 2.20 N ATOM 0 H LYS A 44 8.889 10.324 4.333 1.00 0.58 H new ATOM 0 HA LYS A 44 9.609 13.042 4.457 1.00 0.66 H new ATOM 0 HB2 LYS A 44 10.939 11.090 3.576 1.00 0.76 H new ATOM 0 HB3 LYS A 44 9.833 10.979 2.221 1.00 0.76 H new ATOM 0 HG2 LYS A 44 10.496 13.227 1.468 1.00 1.29 H new ATOM 0 HG3 LYS A 44 11.563 13.391 2.849 1.00 1.29 H new ATOM 0 HD2 LYS A 44 12.843 11.383 2.076 1.00 1.69 H new ATOM 0 HD3 LYS A 44 11.793 11.265 0.679 1.00 1.69 H new ATOM 0 HE2 LYS A 44 13.751 12.439 -0.033 1.00 2.09 H new ATOM 0 HE3 LYS A 44 12.459 13.620 0.057 1.00 2.09 H new ATOM 0 HZ1 LYS A 44 14.627 14.312 1.052 1.00 2.20 H new ATOM 0 HZ2 LYS A 44 13.292 14.458 2.091 1.00 2.20 H new ATOM 0 HZ3 LYS A 44 14.377 13.166 2.280 1.00 2.20 H new ATOM 392 N ALA A 45 7.273 12.318 2.271 1.00 0.67 N ATOM 393 CA ALA A 45 6.310 12.922 1.359 1.00 0.74 C ATOM 394 C ALA A 45 4.943 13.106 2.015 1.00 0.73 C ATOM 395 O ALA A 45 3.964 13.431 1.343 1.00 0.81 O ATOM 396 CB ALA A 45 6.186 12.085 0.094 1.00 0.82 C ATOM 0 H ALA A 45 7.173 11.310 2.388 1.00 0.67 H new ATOM 0 HA ALA A 45 6.681 13.913 1.096 1.00 0.74 H new ATOM 0 HB1 ALA A 45 5.464 12.547 -0.579 1.00 0.82 H new ATOM 0 HB2 ALA A 45 7.156 12.026 -0.400 1.00 0.82 H new ATOM 0 HB3 ALA A 45 5.850 11.081 0.353 1.00 0.82 H new ATOM 402 N ASN A 46 4.891 12.899 3.331 1.00 0.69 N ATOM 403 CA ASN A 46 3.657 13.053 4.115 1.00 0.72 C ATOM 404 C ASN A 46 2.530 12.186 3.559 1.00 0.67 C ATOM 405 O ASN A 46 1.377 12.612 3.491 1.00 0.84 O ATOM 406 CB ASN A 46 3.201 14.519 4.166 1.00 0.87 C ATOM 407 CG ASN A 46 4.209 15.433 4.837 1.00 1.46 C ATOM 408 OD1 ASN A 46 5.040 16.053 4.173 1.00 2.13 O ATOM 409 ND2 ASN A 46 4.151 15.513 6.156 1.00 2.13 N ATOM 0 H ASN A 46 5.700 12.620 3.886 1.00 0.69 H new ATOM 0 HA ASN A 46 3.886 12.723 5.128 1.00 0.72 H new ATOM 0 HB2 ASN A 46 3.019 14.872 3.151 1.00 0.87 H new ATOM 0 HB3 ASN A 46 2.253 14.580 4.700 1.00 0.87 H new ATOM 0 HD21 ASN A 46 4.811 16.105 6.661 1.00 2.13 H new ATOM 0 HD22 ASN A 46 3.447 14.983 6.669 1.00 2.13 H new ATOM 416 N LEU A 47 2.867 10.969 3.168 1.00 0.51 N ATOM 417 CA LEU A 47 1.891 10.042 2.618 1.00 0.51 C ATOM 418 C LEU A 47 1.431 9.078 3.695 1.00 0.46 C ATOM 419 O LEU A 47 2.193 8.742 4.603 1.00 0.56 O ATOM 420 CB LEU A 47 2.493 9.254 1.456 1.00 0.58 C ATOM 421 CG LEU A 47 3.090 10.099 0.334 1.00 0.69 C ATOM 422 CD1 LEU A 47 3.745 9.207 -0.705 1.00 1.00 C ATOM 423 CD2 LEU A 47 2.018 10.968 -0.309 1.00 1.18 C ATOM 0 H LEU A 47 3.815 10.597 3.222 1.00 0.51 H new ATOM 0 HA LEU A 47 1.040 10.616 2.252 1.00 0.51 H new ATOM 0 HB2 LEU A 47 3.271 8.598 1.848 1.00 0.58 H new ATOM 0 HB3 LEU A 47 1.719 8.613 1.033 1.00 0.58 H new ATOM 0 HG LEU A 47 3.851 10.753 0.760 1.00 0.69 H new ATOM 0 HD11 LEU A 47 4.167 9.823 -1.499 1.00 1.00 H new ATOM 0 HD12 LEU A 47 4.539 8.625 -0.237 1.00 1.00 H new ATOM 0 HD13 LEU A 47 3.000 8.531 -1.126 1.00 1.00 H new ATOM 0 HD21 LEU A 47 2.462 11.563 -1.107 1.00 1.18 H new ATOM 0 HD22 LEU A 47 1.235 10.333 -0.723 1.00 1.18 H new ATOM 0 HD23 LEU A 47 1.588 11.631 0.442 1.00 1.18 H new ATOM 435 N TYR A 48 0.191 8.637 3.599 1.00 0.49 N ATOM 436 CA TYR A 48 -0.346 7.683 4.551 1.00 0.54 C ATOM 437 C TYR A 48 -0.004 6.264 4.123 1.00 0.46 C ATOM 438 O TYR A 48 -0.553 5.747 3.149 1.00 0.58 O ATOM 439 CB TYR A 48 -1.860 7.844 4.686 1.00 0.64 C ATOM 440 CG TYR A 48 -2.285 9.205 5.181 1.00 0.77 C ATOM 441 CD1 TYR A 48 -2.808 10.151 4.311 1.00 1.51 C ATOM 442 CD2 TYR A 48 -2.165 9.542 6.523 1.00 1.31 C ATOM 443 CE1 TYR A 48 -3.200 11.396 4.764 1.00 1.61 C ATOM 444 CE2 TYR A 48 -2.553 10.784 6.983 1.00 1.43 C ATOM 445 CZ TYR A 48 -3.071 11.707 6.100 1.00 1.09 C ATOM 446 OH TYR A 48 -3.466 12.946 6.555 1.00 1.28 O ATOM 0 H TYR A 48 -0.464 8.924 2.871 1.00 0.49 H new ATOM 0 HA TYR A 48 0.107 7.878 5.523 1.00 0.54 H new ATOM 0 HB2 TYR A 48 -2.324 7.659 3.717 1.00 0.64 H new ATOM 0 HB3 TYR A 48 -2.237 7.084 5.371 1.00 0.64 H new ATOM 0 HD1 TYR A 48 -2.910 9.910 3.263 1.00 1.51 H new ATOM 0 HD2 TYR A 48 -1.761 8.820 7.218 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -3.605 12.122 4.074 1.00 1.61 H new ATOM 0 HE2 TYR A 48 -2.451 11.031 8.029 1.00 1.43 H new ATOM 0 HH TYR A 48 -3.310 13.005 7.521 1.00 1.28 H new ATOM 456 N LEU A 49 0.926 5.651 4.837 1.00 0.46 N ATOM 457 CA LEU A 49 1.321 4.279 4.568 1.00 0.46 C ATOM 458 C LEU A 49 0.646 3.349 5.563 1.00 0.50 C ATOM 459 O LEU A 49 0.952 3.371 6.757 1.00 0.61 O ATOM 460 CB LEU A 49 2.848 4.142 4.659 1.00 0.66 C ATOM 461 CG LEU A 49 3.420 2.726 4.504 1.00 0.81 C ATOM 462 CD1 LEU A 49 3.751 2.412 3.049 1.00 1.76 C ATOM 463 CD2 LEU A 49 4.657 2.561 5.372 1.00 1.35 C ATOM 0 H LEU A 49 1.425 6.086 5.613 1.00 0.46 H new ATOM 0 HA LEU A 49 1.009 4.006 3.560 1.00 0.46 H new ATOM 0 HB2 LEU A 49 3.293 4.776 3.892 1.00 0.66 H new ATOM 0 HB3 LEU A 49 3.169 4.536 5.623 1.00 0.66 H new ATOM 0 HG LEU A 49 2.656 2.021 4.831 1.00 0.81 H new ATOM 0 HD11 LEU A 49 4.154 1.402 2.977 1.00 1.76 H new ATOM 0 HD12 LEU A 49 2.846 2.486 2.446 1.00 1.76 H new ATOM 0 HD13 LEU A 49 4.490 3.124 2.682 1.00 1.76 H new ATOM 0 HD21 LEU A 49 5.053 1.552 5.253 1.00 1.35 H new ATOM 0 HD22 LEU A 49 5.413 3.286 5.070 1.00 1.35 H new ATOM 0 HD23 LEU A 49 4.393 2.726 6.417 1.00 1.35 H new ATOM 475 N LEU A 50 -0.283 2.548 5.070 1.00 0.52 N ATOM 476 CA LEU A 50 -1.060 1.657 5.917 1.00 0.63 C ATOM 477 C LEU A 50 -0.675 0.205 5.676 1.00 0.69 C ATOM 478 O LEU A 50 -0.410 -0.203 4.544 1.00 0.69 O ATOM 479 CB LEU A 50 -2.562 1.841 5.668 1.00 0.77 C ATOM 480 CG LEU A 50 -3.239 2.998 6.419 1.00 0.81 C ATOM 481 CD1 LEU A 50 -2.641 4.342 6.033 1.00 1.24 C ATOM 482 CD2 LEU A 50 -4.735 2.989 6.144 1.00 1.48 C ATOM 0 H LEU A 50 -0.519 2.496 4.079 1.00 0.52 H new ATOM 0 HA LEU A 50 -0.840 1.912 6.954 1.00 0.63 H new ATOM 0 HB2 LEU A 50 -2.716 1.990 4.599 1.00 0.77 H new ATOM 0 HB3 LEU A 50 -3.070 0.915 5.937 1.00 0.77 H new ATOM 0 HG LEU A 50 -3.066 2.854 7.485 1.00 0.81 H new ATOM 0 HD11 LEU A 50 -3.145 5.136 6.584 1.00 1.24 H new ATOM 0 HD12 LEU A 50 -1.578 4.350 6.275 1.00 1.24 H new ATOM 0 HD13 LEU A 50 -2.771 4.504 4.963 1.00 1.24 H new ATOM 0 HD21 LEU A 50 -5.208 3.812 6.680 1.00 1.48 H new ATOM 0 HD22 LEU A 50 -4.909 3.105 5.074 1.00 1.48 H new ATOM 0 HD23 LEU A 50 -5.161 2.044 6.481 1.00 1.48 H new ATOM 494 N THR A 51 -0.638 -0.562 6.748 1.00 0.85 N ATOM 495 CA THR A 51 -0.391 -1.991 6.661 1.00 1.00 C ATOM 496 C THR A 51 -1.723 -2.717 6.480 1.00 1.38 C ATOM 497 O THR A 51 -2.762 -2.239 6.944 1.00 2.04 O ATOM 498 CB THR A 51 0.320 -2.514 7.931 1.00 1.42 C ATOM 499 OG1 THR A 51 1.373 -1.614 8.307 1.00 1.86 O ATOM 500 CG2 THR A 51 0.906 -3.901 7.700 1.00 2.07 C ATOM 0 H THR A 51 -0.777 -0.217 7.698 1.00 0.85 H new ATOM 0 HA THR A 51 0.260 -2.181 5.808 1.00 1.00 H new ATOM 0 HB THR A 51 -0.420 -2.575 8.729 1.00 1.42 H new ATOM 0 HG1 THR A 51 1.818 -1.950 9.113 1.00 1.86 H new ATOM 0 HG21 THR A 51 1.400 -4.243 8.609 1.00 2.07 H new ATOM 0 HG22 THR A 51 0.107 -4.594 7.438 1.00 2.07 H new ATOM 0 HG23 THR A 51 1.631 -3.859 6.887 1.00 2.07 H new ATOM 508 N LEU A 52 -1.702 -3.866 5.821 1.00 1.17 N ATOM 509 CA LEU A 52 -2.937 -4.574 5.521 1.00 1.66 C ATOM 510 C LEU A 52 -3.290 -5.523 6.655 1.00 1.10 C ATOM 511 O LEU A 52 -2.630 -6.539 6.876 1.00 1.25 O ATOM 512 CB LEU A 52 -2.817 -5.347 4.203 1.00 2.63 C ATOM 513 CG LEU A 52 -2.644 -4.483 2.950 1.00 2.95 C ATOM 514 CD1 LEU A 52 -2.494 -5.359 1.715 1.00 3.41 C ATOM 515 CD2 LEU A 52 -3.822 -3.534 2.785 1.00 3.43 C ATOM 0 H LEU A 52 -0.854 -4.324 5.487 1.00 1.17 H new ATOM 0 HA LEU A 52 -3.734 -3.838 5.415 1.00 1.66 H new ATOM 0 HB2 LEU A 52 -1.968 -6.027 4.276 1.00 2.63 H new ATOM 0 HB3 LEU A 52 -3.708 -5.962 4.080 1.00 2.63 H new ATOM 0 HG LEU A 52 -1.737 -3.890 3.067 1.00 2.95 H new ATOM 0 HD11 LEU A 52 -2.372 -4.728 0.834 1.00 3.41 H new ATOM 0 HD12 LEU A 52 -1.619 -5.999 1.827 1.00 3.41 H new ATOM 0 HD13 LEU A 52 -3.383 -5.978 1.598 1.00 3.41 H new ATOM 0 HD21 LEU A 52 -3.679 -2.929 1.889 1.00 3.43 H new ATOM 0 HD22 LEU A 52 -4.743 -4.110 2.691 1.00 3.43 H new ATOM 0 HD23 LEU A 52 -3.889 -2.882 3.656 1.00 3.43 H new ATOM 527 N GLU A 53 -4.336 -5.153 7.374 1.00 1.35 N ATOM 528 CA GLU A 53 -4.813 -5.907 8.517 1.00 1.60 C ATOM 529 C GLU A 53 -6.232 -5.464 8.829 1.00 1.84 C ATOM 530 O GLU A 53 -7.170 -6.259 8.804 1.00 2.34 O ATOM 531 CB GLU A 53 -3.903 -5.670 9.724 1.00 2.04 C ATOM 532 CG GLU A 53 -4.316 -6.436 10.966 1.00 2.24 C ATOM 533 CD GLU A 53 -4.306 -7.933 10.757 1.00 2.43 C ATOM 534 OE1 GLU A 53 -5.398 -8.536 10.710 1.00 2.97 O ATOM 535 OE2 GLU A 53 -3.207 -8.513 10.642 1.00 2.75 O ATOM 0 H GLU A 53 -4.881 -4.314 7.178 1.00 1.35 H new ATOM 0 HA GLU A 53 -4.801 -6.973 8.290 1.00 1.60 H new ATOM 0 HB2 GLU A 53 -2.884 -5.950 9.459 1.00 2.04 H new ATOM 0 HB3 GLU A 53 -3.891 -4.605 9.954 1.00 2.04 H new ATOM 0 HG2 GLU A 53 -3.643 -6.183 11.785 1.00 2.24 H new ATOM 0 HG3 GLU A 53 -5.316 -6.122 11.266 1.00 2.24 H new ATOM 542 N THR A 54 -6.378 -4.183 9.117 1.00 1.76 N ATOM 543 CA THR A 54 -7.681 -3.576 9.261 1.00 1.96 C ATOM 544 C THR A 54 -8.076 -2.898 7.954 1.00 1.44 C ATOM 545 O THR A 54 -7.519 -1.867 7.575 1.00 1.41 O ATOM 546 CB THR A 54 -7.684 -2.563 10.416 1.00 2.58 C ATOM 547 OG1 THR A 54 -6.420 -1.889 10.463 1.00 2.85 O ATOM 548 CG2 THR A 54 -7.947 -3.257 11.744 1.00 3.30 C ATOM 0 H THR A 54 -5.598 -3.540 9.256 1.00 1.76 H new ATOM 0 HA THR A 54 -8.409 -4.353 9.494 1.00 1.96 H new ATOM 0 HB THR A 54 -8.481 -1.840 10.243 1.00 2.58 H new ATOM 0 HG1 THR A 54 -6.185 -1.572 9.566 1.00 2.85 H new ATOM 0 HG21 THR A 54 -7.944 -2.520 12.547 1.00 3.30 H new ATOM 0 HG22 THR A 54 -8.917 -3.753 11.710 1.00 3.30 H new ATOM 0 HG23 THR A 54 -7.168 -3.997 11.928 1.00 3.30 H new ATOM 556 N ASP A 55 -9.037 -3.495 7.272 1.00 1.58 N ATOM 557 CA ASP A 55 -9.407 -3.059 5.919 1.00 1.57 C ATOM 558 C ASP A 55 -10.437 -1.940 5.945 1.00 1.40 C ATOM 559 O ASP A 55 -10.186 -0.831 5.472 1.00 1.25 O ATOM 560 CB ASP A 55 -9.942 -4.233 5.072 1.00 2.38 C ATOM 561 CG ASP A 55 -10.510 -3.775 3.743 1.00 3.04 C ATOM 562 OD1 ASP A 55 -11.753 -3.707 3.626 1.00 3.66 O ATOM 563 OD2 ASP A 55 -9.733 -3.485 2.815 1.00 3.51 O ATOM 0 H ASP A 55 -9.580 -4.283 7.624 1.00 1.58 H new ATOM 0 HA ASP A 55 -8.495 -2.679 5.459 1.00 1.57 H new ATOM 0 HB2 ASP A 55 -9.137 -4.945 4.894 1.00 2.38 H new ATOM 0 HB3 ASP A 55 -10.715 -4.759 5.632 1.00 2.38 H new ATOM 568 N ASP A 56 -11.583 -2.233 6.528 1.00 1.62 N ATOM 569 CA ASP A 56 -12.738 -1.343 6.455 1.00 1.72 C ATOM 570 C ASP A 56 -12.486 -0.021 7.176 1.00 1.47 C ATOM 571 O ASP A 56 -12.715 1.055 6.621 1.00 1.48 O ATOM 572 CB ASP A 56 -13.967 -2.040 7.046 1.00 2.15 C ATOM 573 CG ASP A 56 -15.157 -1.117 7.203 1.00 2.43 C ATOM 574 OD1 ASP A 56 -15.919 -0.952 6.230 1.00 2.98 O ATOM 575 OD2 ASP A 56 -15.358 -0.576 8.309 1.00 2.88 O ATOM 0 H ASP A 56 -11.745 -3.086 7.063 1.00 1.62 H new ATOM 0 HA ASP A 56 -12.916 -1.113 5.404 1.00 1.72 H new ATOM 0 HB2 ASP A 56 -14.246 -2.876 6.405 1.00 2.15 H new ATOM 0 HB3 ASP A 56 -13.708 -2.457 8.019 1.00 2.15 H new ATOM 580 N LYS A 57 -11.988 -0.109 8.400 1.00 1.39 N ATOM 581 CA LYS A 57 -11.855 1.067 9.252 1.00 1.42 C ATOM 582 C LYS A 57 -10.696 1.961 8.823 1.00 1.20 C ATOM 583 O LYS A 57 -10.911 3.058 8.310 1.00 1.27 O ATOM 584 CB LYS A 57 -11.686 0.653 10.714 1.00 1.57 C ATOM 585 CG LYS A 57 -12.931 0.020 11.311 1.00 1.98 C ATOM 586 CD LYS A 57 -12.724 -0.348 12.766 1.00 2.71 C ATOM 587 CE LYS A 57 -13.951 -1.030 13.346 1.00 3.40 C ATOM 588 NZ LYS A 57 -15.158 -0.166 13.277 1.00 4.03 N ATOM 0 H LYS A 57 -11.670 -0.979 8.826 1.00 1.39 H new ATOM 0 HA LYS A 57 -12.773 1.645 9.145 1.00 1.42 H new ATOM 0 HB2 LYS A 57 -10.857 -0.051 10.791 1.00 1.57 H new ATOM 0 HB3 LYS A 57 -11.415 1.529 11.303 1.00 1.57 H new ATOM 0 HG2 LYS A 57 -13.769 0.712 11.225 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -13.195 -0.872 10.743 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -11.862 -1.009 12.856 1.00 2.71 H new ATOM 0 HD3 LYS A 57 -12.499 0.550 13.341 1.00 2.71 H new ATOM 0 HE2 LYS A 57 -14.139 -1.958 12.805 1.00 3.40 H new ATOM 0 HE3 LYS A 57 -13.758 -1.300 14.384 1.00 3.40 H new ATOM 0 HZ1 LYS A 57 -15.915 -0.580 13.858 1.00 4.03 H new ATOM 0 HZ2 LYS A 57 -14.927 0.783 13.634 1.00 4.03 H new ATOM 0 HZ3 LYS A 57 -15.479 -0.096 12.290 1.00 4.03 H new ATOM 602 N LYS A 58 -9.472 1.481 9.013 1.00 1.07 N ATOM 603 CA LYS A 58 -8.285 2.308 8.809 1.00 1.04 C ATOM 604 C LYS A 58 -8.194 2.840 7.382 1.00 0.88 C ATOM 605 O LYS A 58 -8.028 4.042 7.177 1.00 0.87 O ATOM 606 CB LYS A 58 -7.009 1.532 9.156 1.00 1.18 C ATOM 607 CG LYS A 58 -6.816 1.277 10.646 1.00 1.64 C ATOM 608 CD LYS A 58 -6.827 2.572 11.443 1.00 2.25 C ATOM 609 CE LYS A 58 -6.451 2.339 12.899 1.00 2.61 C ATOM 610 NZ LYS A 58 -5.028 1.926 13.050 1.00 2.99 N ATOM 0 H LYS A 58 -9.274 0.525 9.308 1.00 1.07 H new ATOM 0 HA LYS A 58 -8.379 3.161 9.481 1.00 1.04 H new ATOM 0 HB2 LYS A 58 -7.027 0.575 8.635 1.00 1.18 H new ATOM 0 HB3 LYS A 58 -6.148 2.084 8.779 1.00 1.18 H new ATOM 0 HG2 LYS A 58 -7.606 0.620 11.008 1.00 1.64 H new ATOM 0 HG3 LYS A 58 -5.871 0.758 10.807 1.00 1.64 H new ATOM 0 HD2 LYS A 58 -6.130 3.281 10.996 1.00 2.25 H new ATOM 0 HD3 LYS A 58 -7.818 3.023 11.391 1.00 2.25 H new ATOM 0 HE2 LYS A 58 -6.626 3.252 13.469 1.00 2.61 H new ATOM 0 HE3 LYS A 58 -7.098 1.570 13.322 1.00 2.61 H new ATOM 0 HZ1 LYS A 58 -4.747 2.007 14.048 1.00 2.99 H new ATOM 0 HZ2 LYS A 58 -4.918 0.940 12.738 1.00 2.99 H new ATOM 0 HZ3 LYS A 58 -4.424 2.542 12.469 1.00 2.99 H new ATOM 624 N ILE A 59 -8.321 1.953 6.405 1.00 0.83 N ATOM 625 CA ILE A 59 -8.129 2.324 5.009 1.00 0.80 C ATOM 626 C ILE A 59 -9.150 3.366 4.549 1.00 0.74 C ATOM 627 O ILE A 59 -8.773 4.443 4.082 1.00 0.78 O ATOM 628 CB ILE A 59 -8.193 1.083 4.091 1.00 0.90 C ATOM 629 CG1 ILE A 59 -7.023 0.142 4.396 1.00 1.12 C ATOM 630 CG2 ILE A 59 -8.181 1.489 2.620 1.00 0.96 C ATOM 631 CD1 ILE A 59 -7.146 -1.207 3.724 1.00 1.33 C ATOM 0 H ILE A 59 -8.556 0.972 6.553 1.00 0.83 H new ATOM 0 HA ILE A 59 -7.137 2.769 4.934 1.00 0.80 H new ATOM 0 HB ILE A 59 -9.129 0.559 4.287 1.00 0.90 H new ATOM 0 HG12 ILE A 59 -6.094 0.615 4.078 1.00 1.12 H new ATOM 0 HG13 ILE A 59 -6.954 -0.002 5.474 1.00 1.12 H new ATOM 0 HG21 ILE A 59 -8.227 0.597 1.996 1.00 0.96 H new ATOM 0 HG22 ILE A 59 -9.043 2.123 2.410 1.00 0.96 H new ATOM 0 HG23 ILE A 59 -7.265 2.038 2.402 1.00 0.96 H new ATOM 0 HD11 ILE A 59 -6.284 -1.822 3.983 1.00 1.33 H new ATOM 0 HD12 ILE A 59 -8.058 -1.700 4.061 1.00 1.33 H new ATOM 0 HD13 ILE A 59 -7.184 -1.073 2.643 1.00 1.33 H new ATOM 643 N GLU A 60 -10.435 3.064 4.705 1.00 0.77 N ATOM 644 CA GLU A 60 -11.476 3.925 4.161 1.00 0.87 C ATOM 645 C GLU A 60 -11.566 5.258 4.908 1.00 0.85 C ATOM 646 O GLU A 60 -11.642 6.314 4.279 1.00 0.94 O ATOM 647 CB GLU A 60 -12.834 3.216 4.162 1.00 1.04 C ATOM 648 CG GLU A 60 -13.958 4.072 3.596 1.00 1.32 C ATOM 649 CD GLU A 60 -15.230 3.293 3.340 1.00 1.47 C ATOM 650 OE1 GLU A 60 -15.823 2.772 4.305 1.00 1.96 O ATOM 651 OE2 GLU A 60 -15.655 3.218 2.171 1.00 2.01 O ATOM 0 H GLU A 60 -10.777 2.239 5.198 1.00 0.77 H new ATOM 0 HA GLU A 60 -11.200 4.144 3.129 1.00 0.87 H new ATOM 0 HB2 GLU A 60 -12.757 2.297 3.580 1.00 1.04 H new ATOM 0 HB3 GLU A 60 -13.085 2.927 5.183 1.00 1.04 H new ATOM 0 HG2 GLU A 60 -14.171 4.885 4.290 1.00 1.32 H new ATOM 0 HG3 GLU A 60 -13.625 4.528 2.664 1.00 1.32 H new ATOM 658 N ASP A 61 -11.537 5.214 6.236 1.00 0.82 N ATOM 659 CA ASP A 61 -11.696 6.429 7.037 1.00 0.88 C ATOM 660 C ASP A 61 -10.599 7.444 6.742 1.00 0.79 C ATOM 661 O ASP A 61 -10.874 8.632 6.561 1.00 0.83 O ATOM 662 CB ASP A 61 -11.717 6.114 8.536 1.00 0.99 C ATOM 663 CG ASP A 61 -13.088 5.690 9.024 1.00 1.55 C ATOM 664 OD1 ASP A 61 -14.005 6.538 9.046 1.00 2.27 O ATOM 665 OD2 ASP A 61 -13.255 4.513 9.409 1.00 2.05 O ATOM 0 H ASP A 61 -11.406 4.360 6.779 1.00 0.82 H new ATOM 0 HA ASP A 61 -12.656 6.864 6.757 1.00 0.88 H new ATOM 0 HB2 ASP A 61 -10.999 5.321 8.747 1.00 0.99 H new ATOM 0 HB3 ASP A 61 -11.393 6.993 9.093 1.00 0.99 H new ATOM 670 N ILE A 62 -9.361 6.979 6.674 1.00 0.72 N ATOM 671 CA ILE A 62 -8.232 7.872 6.452 1.00 0.69 C ATOM 672 C ILE A 62 -8.253 8.447 5.035 1.00 0.68 C ATOM 673 O ILE A 62 -7.966 9.631 4.836 1.00 0.73 O ATOM 674 CB ILE A 62 -6.883 7.164 6.725 1.00 0.73 C ATOM 675 CG1 ILE A 62 -6.779 6.804 8.212 1.00 0.81 C ATOM 676 CG2 ILE A 62 -5.710 8.041 6.302 1.00 0.77 C ATOM 677 CD1 ILE A 62 -5.486 6.113 8.591 1.00 0.93 C ATOM 0 H ILE A 62 -9.112 5.994 6.769 1.00 0.72 H new ATOM 0 HA ILE A 62 -8.330 8.695 7.160 1.00 0.69 H new ATOM 0 HB ILE A 62 -6.844 6.249 6.134 1.00 0.73 H new ATOM 0 HG12 ILE A 62 -6.879 7.714 8.803 1.00 0.81 H new ATOM 0 HG13 ILE A 62 -7.616 6.158 8.478 1.00 0.81 H new ATOM 0 HG21 ILE A 62 -4.774 7.520 6.505 1.00 0.77 H new ATOM 0 HG22 ILE A 62 -5.782 8.256 5.236 1.00 0.77 H new ATOM 0 HG23 ILE A 62 -5.734 8.975 6.863 1.00 0.77 H new ATOM 0 HD11 ILE A 62 -5.491 5.892 9.658 1.00 0.93 H new ATOM 0 HD12 ILE A 62 -5.392 5.184 8.029 1.00 0.93 H new ATOM 0 HD13 ILE A 62 -4.644 6.765 8.359 1.00 0.93 H new ATOM 689 N LEU A 63 -8.628 7.629 4.056 1.00 0.68 N ATOM 690 CA LEU A 63 -8.629 8.083 2.671 1.00 0.76 C ATOM 691 C LEU A 63 -9.795 9.046 2.432 1.00 0.84 C ATOM 692 O LEU A 63 -9.696 9.965 1.613 1.00 0.94 O ATOM 693 CB LEU A 63 -8.660 6.874 1.687 1.00 0.85 C ATOM 694 CG LEU A 63 -10.029 6.169 1.472 1.00 1.23 C ATOM 695 CD1 LEU A 63 -10.976 6.934 0.539 1.00 1.57 C ATOM 696 CD2 LEU A 63 -9.806 4.763 0.939 1.00 1.89 C ATOM 0 H LEU A 63 -8.930 6.664 4.193 1.00 0.68 H new ATOM 0 HA LEU A 63 -7.704 8.626 2.478 1.00 0.76 H new ATOM 0 HB2 LEU A 63 -8.301 7.218 0.717 1.00 0.85 H new ATOM 0 HB3 LEU A 63 -7.949 6.129 2.044 1.00 0.85 H new ATOM 0 HG LEU A 63 -10.516 6.137 2.447 1.00 1.23 H new ATOM 0 HD11 LEU A 63 -11.910 6.382 0.437 1.00 1.57 H new ATOM 0 HD12 LEU A 63 -11.181 7.920 0.957 1.00 1.57 H new ATOM 0 HD13 LEU A 63 -10.511 7.045 -0.441 1.00 1.57 H new ATOM 0 HD21 LEU A 63 -10.768 4.273 0.790 1.00 1.89 H new ATOM 0 HD22 LEU A 63 -9.274 4.814 -0.011 1.00 1.89 H new ATOM 0 HD23 LEU A 63 -9.215 4.192 1.655 1.00 1.89 H new ATOM 708 N LYS A 64 -10.894 8.839 3.153 1.00 0.89 N ATOM 709 CA LYS A 64 -12.036 9.746 3.080 1.00 1.05 C ATOM 710 C LYS A 64 -11.677 11.096 3.681 1.00 1.03 C ATOM 711 O LYS A 64 -12.087 12.141 3.176 1.00 1.13 O ATOM 712 CB LYS A 64 -13.252 9.164 3.809 1.00 1.22 C ATOM 713 CG LYS A 64 -13.989 8.077 3.038 1.00 1.64 C ATOM 714 CD LYS A 64 -14.587 8.614 1.746 1.00 2.17 C ATOM 715 CE LYS A 64 -15.589 7.641 1.143 1.00 2.87 C ATOM 716 NZ LYS A 64 -14.989 6.311 0.862 1.00 3.41 N ATOM 0 H LYS A 64 -11.018 8.054 3.792 1.00 0.89 H new ATOM 0 HA LYS A 64 -12.293 9.875 2.029 1.00 1.05 H new ATOM 0 HB2 LYS A 64 -12.925 8.756 4.765 1.00 1.22 H new ATOM 0 HB3 LYS A 64 -13.949 9.972 4.029 1.00 1.22 H new ATOM 0 HG2 LYS A 64 -13.302 7.262 2.810 1.00 1.64 H new ATOM 0 HG3 LYS A 64 -14.781 7.662 3.661 1.00 1.64 H new ATOM 0 HD2 LYS A 64 -15.078 9.568 1.941 1.00 2.17 H new ATOM 0 HD3 LYS A 64 -13.790 8.807 1.028 1.00 2.17 H new ATOM 0 HE2 LYS A 64 -16.430 7.520 1.826 1.00 2.87 H new ATOM 0 HE3 LYS A 64 -15.987 8.060 0.219 1.00 2.87 H new ATOM 0 HZ1 LYS A 64 -15.227 6.021 -0.108 1.00 3.41 H new ATOM 0 HZ2 LYS A 64 -13.955 6.368 0.962 1.00 3.41 H new ATOM 0 HZ3 LYS A 64 -15.364 5.612 1.534 1.00 3.41 H new ATOM 730 N SER A 65 -10.889 11.062 4.745 1.00 0.97 N ATOM 731 CA SER A 65 -10.476 12.274 5.436 1.00 1.06 C ATOM 732 C SER A 65 -9.512 13.098 4.584 1.00 1.03 C ATOM 733 O SER A 65 -9.320 14.288 4.829 1.00 1.13 O ATOM 734 CB SER A 65 -9.819 11.914 6.768 1.00 1.18 C ATOM 735 OG SER A 65 -10.690 11.133 7.569 1.00 1.65 O ATOM 0 H SER A 65 -10.521 10.202 5.151 1.00 0.97 H new ATOM 0 HA SER A 65 -11.364 12.879 5.620 1.00 1.06 H new ATOM 0 HB2 SER A 65 -8.896 11.364 6.585 1.00 1.18 H new ATOM 0 HB3 SER A 65 -9.547 12.825 7.302 1.00 1.18 H new ATOM 0 HG SER A 65 -10.854 10.272 7.130 1.00 1.65 H new ATOM 741 N LEU A 66 -8.917 12.466 3.576 1.00 0.97 N ATOM 742 CA LEU A 66 -7.927 13.147 2.744 1.00 1.05 C ATOM 743 C LEU A 66 -8.601 14.081 1.735 1.00 1.20 C ATOM 744 O LEU A 66 -8.137 15.201 1.529 1.00 1.55 O ATOM 745 CB LEU A 66 -7.008 12.139 2.025 1.00 1.00 C ATOM 746 CG LEU A 66 -5.992 12.776 1.068 1.00 1.09 C ATOM 747 CD1 LEU A 66 -5.002 13.641 1.834 1.00 1.72 C ATOM 748 CD2 LEU A 66 -5.248 11.720 0.258 1.00 1.38 C ATOM 0 H LEU A 66 -9.099 11.496 3.317 1.00 0.97 H new ATOM 0 HA LEU A 66 -7.307 13.753 3.405 1.00 1.05 H new ATOM 0 HB2 LEU A 66 -6.469 11.559 2.774 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -7.627 11.438 1.464 1.00 1.00 H new ATOM 0 HG LEU A 66 -6.548 13.405 0.373 1.00 1.09 H new ATOM 0 HD11 LEU A 66 -4.290 14.083 1.137 1.00 1.72 H new ATOM 0 HD12 LEU A 66 -5.539 14.433 2.356 1.00 1.72 H new ATOM 0 HD13 LEU A 66 -4.467 13.027 2.558 1.00 1.72 H new ATOM 0 HD21 LEU A 66 -4.537 12.207 -0.409 1.00 1.38 H new ATOM 0 HD22 LEU A 66 -4.713 11.053 0.934 1.00 1.38 H new ATOM 0 HD23 LEU A 66 -5.962 11.144 -0.331 1.00 1.38 H new ATOM 760 N GLY A 67 -9.696 13.636 1.122 1.00 1.07 N ATOM 761 CA GLY A 67 -10.460 14.517 0.252 1.00 1.26 C ATOM 762 C GLY A 67 -10.330 14.184 -1.227 1.00 1.22 C ATOM 763 O GLY A 67 -11.072 13.341 -1.734 1.00 1.28 O ATOM 0 H GLY A 67 -10.066 12.690 1.210 1.00 1.07 H new ATOM 0 HA2 GLY A 67 -11.512 14.469 0.535 1.00 1.26 H new ATOM 0 HA3 GLY A 67 -10.133 15.544 0.414 1.00 1.26 H new ATOM 767 N PRO A 68 -9.404 14.857 -1.946 1.00 1.24 N ATOM 768 CA PRO A 68 -9.170 14.650 -3.391 1.00 1.29 C ATOM 769 C PRO A 68 -9.065 13.177 -3.788 1.00 1.15 C ATOM 770 O PRO A 68 -8.765 12.328 -2.950 1.00 0.99 O ATOM 771 CB PRO A 68 -7.828 15.339 -3.616 1.00 1.41 C ATOM 772 CG PRO A 68 -7.790 16.429 -2.606 1.00 1.56 C ATOM 773 CD PRO A 68 -8.515 15.902 -1.401 1.00 1.35 C ATOM 0 HA PRO A 68 -9.996 15.038 -3.987 1.00 1.29 H new ATOM 0 HB2 PRO A 68 -6.999 14.645 -3.481 1.00 1.41 H new ATOM 0 HB3 PRO A 68 -7.751 15.735 -4.629 1.00 1.41 H new ATOM 0 HG2 PRO A 68 -6.763 16.695 -2.358 1.00 1.56 H new ATOM 0 HG3 PRO A 68 -8.270 17.331 -2.987 1.00 1.56 H new ATOM 0 HD2 PRO A 68 -7.822 15.493 -0.666 1.00 1.35 H new ATOM 0 HD3 PRO A 68 -9.082 16.687 -0.902 1.00 1.35 H new ATOM 781 N PRO A 69 -9.304 12.866 -5.081 1.00 1.30 N ATOM 782 CA PRO A 69 -9.243 11.497 -5.610 1.00 1.26 C ATOM 783 C PRO A 69 -7.968 10.772 -5.195 1.00 1.05 C ATOM 784 O PRO A 69 -6.862 11.136 -5.604 1.00 1.17 O ATOM 785 CB PRO A 69 -9.285 11.680 -7.137 1.00 1.53 C ATOM 786 CG PRO A 69 -9.135 13.149 -7.372 1.00 1.89 C ATOM 787 CD PRO A 69 -9.650 13.824 -6.136 1.00 1.58 C ATOM 0 HA PRO A 69 -10.060 10.885 -5.227 1.00 1.26 H new ATOM 0 HB2 PRO A 69 -8.483 11.122 -7.621 1.00 1.53 H new ATOM 0 HB3 PRO A 69 -10.224 11.311 -7.550 1.00 1.53 H new ATOM 0 HG2 PRO A 69 -8.092 13.410 -7.553 1.00 1.89 H new ATOM 0 HG3 PRO A 69 -9.699 13.462 -8.251 1.00 1.89 H new ATOM 0 HD2 PRO A 69 -9.176 14.792 -5.976 1.00 1.58 H new ATOM 0 HD3 PRO A 69 -10.725 14.000 -6.188 1.00 1.58 H new ATOM 795 N VAL A 70 -8.132 9.758 -4.366 1.00 0.85 N ATOM 796 CA VAL A 70 -7.004 9.027 -3.820 1.00 0.67 C ATOM 797 C VAL A 70 -6.712 7.779 -4.643 1.00 0.60 C ATOM 798 O VAL A 70 -7.611 6.987 -4.928 1.00 0.66 O ATOM 799 CB VAL A 70 -7.264 8.622 -2.354 1.00 0.62 C ATOM 800 CG1 VAL A 70 -5.991 8.122 -1.689 1.00 0.99 C ATOM 801 CG2 VAL A 70 -7.853 9.788 -1.582 1.00 1.08 C ATOM 0 H VAL A 70 -9.043 9.420 -4.054 1.00 0.85 H new ATOM 0 HA VAL A 70 -6.139 9.690 -3.858 1.00 0.67 H new ATOM 0 HB VAL A 70 -7.984 7.803 -2.349 1.00 0.62 H new ATOM 0 HG11 VAL A 70 -6.205 7.844 -0.657 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -5.616 7.253 -2.229 1.00 0.99 H new ATOM 0 HG13 VAL A 70 -5.239 8.911 -1.704 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -8.031 9.488 -0.549 1.00 1.08 H new ATOM 0 HG22 VAL A 70 -7.156 10.626 -1.601 1.00 1.08 H new ATOM 0 HG23 VAL A 70 -8.795 10.089 -2.040 1.00 1.08 H new ATOM 811 N LYS A 71 -5.458 7.626 -5.039 1.00 0.55 N ATOM 812 CA LYS A 71 -5.014 6.450 -5.771 1.00 0.54 C ATOM 813 C LYS A 71 -4.411 5.443 -4.804 1.00 0.43 C ATOM 814 O LYS A 71 -3.610 5.808 -3.940 1.00 0.41 O ATOM 815 CB LYS A 71 -3.997 6.850 -6.846 1.00 0.65 C ATOM 816 CG LYS A 71 -4.596 7.712 -7.945 1.00 1.27 C ATOM 817 CD LYS A 71 -5.669 6.954 -8.707 1.00 1.74 C ATOM 818 CE LYS A 71 -6.352 7.823 -9.744 1.00 2.14 C ATOM 819 NZ LYS A 71 -7.378 7.064 -10.504 1.00 2.53 N ATOM 0 H LYS A 71 -4.722 8.310 -4.863 1.00 0.55 H new ATOM 0 HA LYS A 71 -5.868 5.989 -6.267 1.00 0.54 H new ATOM 0 HB2 LYS A 71 -3.175 7.390 -6.376 1.00 0.65 H new ATOM 0 HB3 LYS A 71 -3.574 5.949 -7.290 1.00 0.65 H new ATOM 0 HG2 LYS A 71 -5.023 8.616 -7.511 1.00 1.27 H new ATOM 0 HG3 LYS A 71 -3.811 8.028 -8.632 1.00 1.27 H new ATOM 0 HD2 LYS A 71 -5.223 6.089 -9.197 1.00 1.74 H new ATOM 0 HD3 LYS A 71 -6.412 6.575 -8.006 1.00 1.74 H new ATOM 0 HE2 LYS A 71 -6.820 8.677 -9.253 1.00 2.14 H new ATOM 0 HE3 LYS A 71 -5.607 8.220 -10.434 1.00 2.14 H new ATOM 0 HZ1 LYS A 71 -7.825 7.690 -11.204 1.00 2.53 H new ATOM 0 HZ2 LYS A 71 -6.927 6.264 -10.992 1.00 2.53 H new ATOM 0 HZ3 LYS A 71 -8.102 6.706 -9.848 1.00 2.53 H new ATOM 833 N ILE A 72 -4.809 4.184 -4.937 1.00 0.45 N ATOM 834 CA ILE A 72 -4.404 3.162 -3.988 1.00 0.43 C ATOM 835 C ILE A 72 -3.280 2.302 -4.544 1.00 0.41 C ATOM 836 O ILE A 72 -3.493 1.464 -5.423 1.00 0.50 O ATOM 837 CB ILE A 72 -5.581 2.246 -3.601 1.00 0.54 C ATOM 838 CG1 ILE A 72 -6.829 3.072 -3.285 1.00 0.68 C ATOM 839 CG2 ILE A 72 -5.197 1.378 -2.408 1.00 0.58 C ATOM 840 CD1 ILE A 72 -6.666 4.001 -2.105 1.00 1.00 C ATOM 0 H ILE A 72 -5.410 3.850 -5.691 1.00 0.45 H new ATOM 0 HA ILE A 72 -4.053 3.689 -3.101 1.00 0.43 H new ATOM 0 HB ILE A 72 -5.810 1.598 -4.447 1.00 0.54 H new ATOM 0 HG12 ILE A 72 -7.096 3.660 -4.163 1.00 0.68 H new ATOM 0 HG13 ILE A 72 -7.661 2.395 -3.090 1.00 0.68 H new ATOM 0 HG21 ILE A 72 -6.035 0.734 -2.142 1.00 0.58 H new ATOM 0 HG22 ILE A 72 -4.335 0.763 -2.668 1.00 0.58 H new ATOM 0 HG23 ILE A 72 -4.946 2.015 -1.560 1.00 0.58 H new ATOM 0 HD11 ILE A 72 -7.593 4.552 -1.945 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -6.431 3.419 -1.214 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -5.857 4.703 -2.304 1.00 1.00 H new ATOM 852 N LEU A 73 -2.090 2.519 -4.020 1.00 0.37 N ATOM 853 CA LEU A 73 -0.934 1.723 -4.381 1.00 0.37 C ATOM 854 C LEU A 73 -0.680 0.679 -3.306 1.00 0.37 C ATOM 855 O LEU A 73 -0.503 1.016 -2.136 1.00 0.46 O ATOM 856 CB LEU A 73 0.294 2.624 -4.550 1.00 0.43 C ATOM 857 CG LEU A 73 1.641 1.891 -4.638 1.00 0.57 C ATOM 858 CD1 LEU A 73 1.818 1.223 -5.993 1.00 1.06 C ATOM 859 CD2 LEU A 73 2.796 2.840 -4.344 1.00 1.22 C ATOM 0 H LEU A 73 -1.898 3.249 -3.334 1.00 0.37 H new ATOM 0 HA LEU A 73 -1.125 1.219 -5.328 1.00 0.37 H new ATOM 0 HB2 LEU A 73 0.164 3.221 -5.453 1.00 0.43 H new ATOM 0 HB3 LEU A 73 0.332 3.319 -3.711 1.00 0.43 H new ATOM 0 HG LEU A 73 1.644 1.108 -3.879 1.00 0.57 H new ATOM 0 HD11 LEU A 73 2.781 0.713 -6.024 1.00 1.06 H new ATOM 0 HD12 LEU A 73 1.018 0.499 -6.149 1.00 1.06 H new ATOM 0 HD13 LEU A 73 1.782 1.978 -6.778 1.00 1.06 H new ATOM 0 HD21 LEU A 73 3.739 2.298 -4.412 1.00 1.22 H new ATOM 0 HD22 LEU A 73 2.792 3.654 -5.069 1.00 1.22 H new ATOM 0 HD23 LEU A 73 2.685 3.249 -3.340 1.00 1.22 H new ATOM 871 N VAL A 74 -0.687 -0.585 -3.695 1.00 0.40 N ATOM 872 CA VAL A 74 -0.470 -1.665 -2.749 1.00 0.40 C ATOM 873 C VAL A 74 0.839 -2.386 -3.050 1.00 0.39 C ATOM 874 O VAL A 74 1.027 -2.927 -4.141 1.00 0.47 O ATOM 875 CB VAL A 74 -1.633 -2.684 -2.769 1.00 0.48 C ATOM 876 CG1 VAL A 74 -1.421 -3.778 -1.730 1.00 1.30 C ATOM 877 CG2 VAL A 74 -2.966 -1.985 -2.548 1.00 1.16 C ATOM 0 H VAL A 74 -0.840 -0.887 -4.657 1.00 0.40 H new ATOM 0 HA VAL A 74 -0.421 -1.218 -1.756 1.00 0.40 H new ATOM 0 HB VAL A 74 -1.651 -3.153 -3.753 1.00 0.48 H new ATOM 0 HG11 VAL A 74 -2.254 -4.480 -1.766 1.00 1.30 H new ATOM 0 HG12 VAL A 74 -0.491 -4.306 -1.942 1.00 1.30 H new ATOM 0 HG13 VAL A 74 -1.366 -3.331 -0.737 1.00 1.30 H new ATOM 0 HG21 VAL A 74 -3.770 -2.721 -2.566 1.00 1.16 H new ATOM 0 HG22 VAL A 74 -2.957 -1.481 -1.582 1.00 1.16 H new ATOM 0 HG23 VAL A 74 -3.128 -1.252 -3.338 1.00 1.16 H new ATOM 887 N LEU A 75 1.744 -2.371 -2.085 1.00 0.38 N ATOM 888 CA LEU A 75 3.010 -3.074 -2.202 1.00 0.38 C ATOM 889 C LEU A 75 2.935 -4.382 -1.424 1.00 0.35 C ATOM 890 O LEU A 75 2.818 -4.382 -0.196 1.00 0.43 O ATOM 891 CB LEU A 75 4.159 -2.205 -1.683 1.00 0.48 C ATOM 892 CG LEU A 75 4.348 -0.870 -2.409 1.00 0.80 C ATOM 893 CD1 LEU A 75 5.477 -0.073 -1.774 1.00 1.67 C ATOM 894 CD2 LEU A 75 4.623 -1.098 -3.890 1.00 1.65 C ATOM 0 H LEU A 75 1.622 -1.874 -1.203 1.00 0.38 H new ATOM 0 HA LEU A 75 3.202 -3.292 -3.253 1.00 0.38 H new ATOM 0 HB2 LEU A 75 3.992 -2.004 -0.625 1.00 0.48 H new ATOM 0 HB3 LEU A 75 5.086 -2.774 -1.757 1.00 0.48 H new ATOM 0 HG LEU A 75 3.426 -0.296 -2.316 1.00 0.80 H new ATOM 0 HD11 LEU A 75 5.597 0.873 -2.303 1.00 1.67 H new ATOM 0 HD12 LEU A 75 5.240 0.124 -0.728 1.00 1.67 H new ATOM 0 HD13 LEU A 75 6.404 -0.643 -1.835 1.00 1.67 H new ATOM 0 HD21 LEU A 75 4.754 -0.137 -4.388 1.00 1.65 H new ATOM 0 HD22 LEU A 75 5.529 -1.693 -4.004 1.00 1.65 H new ATOM 0 HD23 LEU A 75 3.783 -1.627 -4.339 1.00 1.65 H new ATOM 906 N LEU A 76 2.985 -5.490 -2.140 1.00 0.34 N ATOM 907 CA LEU A 76 2.781 -6.793 -1.532 1.00 0.42 C ATOM 908 C LEU A 76 4.036 -7.652 -1.644 1.00 0.41 C ATOM 909 O LEU A 76 4.736 -7.616 -2.655 1.00 0.48 O ATOM 910 CB LEU A 76 1.603 -7.493 -2.220 1.00 0.55 C ATOM 911 CG LEU A 76 1.072 -8.741 -1.515 1.00 1.09 C ATOM 912 CD1 LEU A 76 0.442 -8.367 -0.184 1.00 1.52 C ATOM 913 CD2 LEU A 76 0.067 -9.465 -2.396 1.00 1.76 C ATOM 0 H LEU A 76 3.165 -5.514 -3.144 1.00 0.34 H new ATOM 0 HA LEU A 76 2.561 -6.655 -0.473 1.00 0.42 H new ATOM 0 HB2 LEU A 76 0.786 -6.778 -2.318 1.00 0.55 H new ATOM 0 HB3 LEU A 76 1.908 -7.770 -3.229 1.00 0.55 H new ATOM 0 HG LEU A 76 1.908 -9.414 -1.326 1.00 1.09 H new ATOM 0 HD11 LEU A 76 0.068 -9.266 0.307 1.00 1.52 H new ATOM 0 HD12 LEU A 76 1.189 -7.891 0.451 1.00 1.52 H new ATOM 0 HD13 LEU A 76 -0.384 -7.676 -0.354 1.00 1.52 H new ATOM 0 HD21 LEU A 76 -0.300 -10.351 -1.877 1.00 1.76 H new ATOM 0 HD22 LEU A 76 -0.769 -8.801 -2.616 1.00 1.76 H new ATOM 0 HD23 LEU A 76 0.548 -9.763 -3.327 1.00 1.76 H new ATOM 925 N GLU A 77 4.320 -8.405 -0.592 1.00 0.46 N ATOM 926 CA GLU A 77 5.412 -9.372 -0.615 1.00 0.49 C ATOM 927 C GLU A 77 4.898 -10.682 -1.195 1.00 0.49 C ATOM 928 O GLU A 77 3.902 -11.221 -0.716 1.00 0.59 O ATOM 929 CB GLU A 77 5.962 -9.603 0.800 1.00 0.61 C ATOM 930 CG GLU A 77 7.285 -10.350 0.840 1.00 0.63 C ATOM 931 CD GLU A 77 7.751 -10.620 2.258 1.00 1.04 C ATOM 932 OE1 GLU A 77 8.340 -9.715 2.883 1.00 1.71 O ATOM 933 OE2 GLU A 77 7.529 -11.742 2.761 1.00 1.74 O ATOM 0 H GLU A 77 3.810 -8.366 0.290 1.00 0.46 H new ATOM 0 HA GLU A 77 6.222 -8.985 -1.233 1.00 0.49 H new ATOM 0 HB2 GLU A 77 6.088 -8.638 1.291 1.00 0.61 H new ATOM 0 HB3 GLU A 77 5.225 -10.161 1.378 1.00 0.61 H new ATOM 0 HG2 GLU A 77 7.182 -11.296 0.308 1.00 0.63 H new ATOM 0 HG3 GLU A 77 8.044 -9.769 0.315 1.00 0.63 H new ATOM 940 N ASP A 78 5.558 -11.194 -2.224 1.00 0.54 N ATOM 941 CA ASP A 78 5.068 -12.387 -2.905 1.00 0.61 C ATOM 942 C ASP A 78 5.464 -13.653 -2.155 1.00 0.63 C ATOM 943 O ASP A 78 6.512 -14.250 -2.414 1.00 0.72 O ATOM 944 CB ASP A 78 5.585 -12.443 -4.347 1.00 0.77 C ATOM 945 CG ASP A 78 5.074 -13.658 -5.100 1.00 1.06 C ATOM 946 OD1 ASP A 78 3.840 -13.824 -5.210 1.00 1.59 O ATOM 947 OD2 ASP A 78 5.901 -14.451 -5.599 1.00 1.85 O ATOM 0 H ASP A 78 6.423 -10.809 -2.603 1.00 0.54 H new ATOM 0 HA ASP A 78 3.980 -12.329 -2.926 1.00 0.61 H new ATOM 0 HB2 ASP A 78 5.281 -11.539 -4.874 1.00 0.77 H new ATOM 0 HB3 ASP A 78 6.675 -12.456 -4.339 1.00 0.77 H new ATOM 952 N THR A 79 4.625 -14.046 -1.214 1.00 0.61 N ATOM 953 CA THR A 79 4.779 -15.315 -0.530 1.00 0.72 C ATOM 954 C THR A 79 3.648 -16.260 -0.923 1.00 0.78 C ATOM 955 O THR A 79 2.828 -15.923 -1.782 1.00 0.84 O ATOM 956 CB THR A 79 4.812 -15.135 1.002 1.00 0.77 C ATOM 957 OG1 THR A 79 3.686 -14.368 1.435 1.00 1.04 O ATOM 958 CG2 THR A 79 6.096 -14.449 1.440 1.00 1.20 C ATOM 0 H THR A 79 3.823 -13.498 -0.904 1.00 0.61 H new ATOM 0 HA THR A 79 5.733 -15.745 -0.834 1.00 0.72 H new ATOM 0 HB THR A 79 4.772 -16.124 1.458 1.00 0.77 H new ATOM 0 HG1 THR A 79 3.231 -14.838 2.165 1.00 1.04 H new ATOM 0 HG21 THR A 79 6.095 -14.334 2.524 1.00 1.20 H new ATOM 0 HG22 THR A 79 6.952 -15.053 1.140 1.00 1.20 H new ATOM 0 HG23 THR A 79 6.162 -13.467 0.971 1.00 1.20 H new ATOM 966 N LYS A 80 3.589 -17.429 -0.306 1.00 0.84 N ATOM 967 CA LYS A 80 2.551 -18.396 -0.636 1.00 0.92 C ATOM 968 C LYS A 80 1.216 -17.985 -0.024 1.00 0.88 C ATOM 969 O LYS A 80 0.177 -18.020 -0.690 1.00 0.90 O ATOM 970 CB LYS A 80 2.956 -19.792 -0.166 1.00 1.09 C ATOM 971 CG LYS A 80 4.292 -20.240 -0.734 1.00 1.65 C ATOM 972 CD LYS A 80 4.663 -21.641 -0.284 1.00 2.05 C ATOM 973 CE LYS A 80 6.023 -22.045 -0.828 1.00 3.00 C ATOM 974 NZ LYS A 80 6.067 -21.985 -2.314 1.00 3.57 N ATOM 0 H LYS A 80 4.240 -17.731 0.419 1.00 0.84 H new ATOM 0 HA LYS A 80 2.432 -18.419 -1.719 1.00 0.92 H new ATOM 0 HB2 LYS A 80 3.007 -19.803 0.923 1.00 1.09 H new ATOM 0 HB3 LYS A 80 2.185 -20.506 -0.456 1.00 1.09 H new ATOM 0 HG2 LYS A 80 4.251 -20.208 -1.823 1.00 1.65 H new ATOM 0 HG3 LYS A 80 5.070 -19.542 -0.424 1.00 1.65 H new ATOM 0 HD2 LYS A 80 4.675 -21.686 0.805 1.00 2.05 H new ATOM 0 HD3 LYS A 80 3.907 -22.348 -0.624 1.00 2.05 H new ATOM 0 HE2 LYS A 80 6.789 -21.388 -0.415 1.00 3.00 H new ATOM 0 HE3 LYS A 80 6.260 -23.057 -0.498 1.00 3.00 H new ATOM 0 HZ1 LYS A 80 6.912 -22.485 -2.657 1.00 3.57 H new ATOM 0 HZ2 LYS A 80 5.215 -22.436 -2.705 1.00 3.57 H new ATOM 0 HZ3 LYS A 80 6.104 -20.992 -2.620 1.00 3.57 H new ATOM 988 N ASP A 81 1.250 -17.573 1.238 1.00 0.90 N ATOM 989 CA ASP A 81 0.046 -17.134 1.935 1.00 0.93 C ATOM 990 C ASP A 81 -0.396 -15.761 1.435 1.00 0.83 C ATOM 991 O ASP A 81 -1.571 -15.408 1.523 1.00 0.82 O ATOM 992 CB ASP A 81 0.264 -17.109 3.453 1.00 1.08 C ATOM 993 CG ASP A 81 1.264 -16.060 3.897 1.00 1.46 C ATOM 994 OD1 ASP A 81 0.834 -14.992 4.375 1.00 2.24 O ATOM 995 OD2 ASP A 81 2.485 -16.308 3.785 1.00 2.00 O ATOM 0 H ASP A 81 2.100 -17.534 1.801 1.00 0.90 H new ATOM 0 HA ASP A 81 -0.746 -17.852 1.720 1.00 0.93 H new ATOM 0 HB2 ASP A 81 -0.690 -16.924 3.947 1.00 1.08 H new ATOM 0 HB3 ASP A 81 0.608 -18.090 3.780 1.00 1.08 H new ATOM 1000 N ALA A 82 0.553 -14.997 0.901 1.00 0.82 N ATOM 1001 CA ALA A 82 0.263 -13.684 0.322 1.00 0.82 C ATOM 1002 C ALA A 82 -0.731 -13.793 -0.826 1.00 0.82 C ATOM 1003 O ALA A 82 -1.447 -12.840 -1.131 1.00 0.84 O ATOM 1004 CB ALA A 82 1.535 -13.033 -0.175 1.00 0.97 C ATOM 0 H ALA A 82 1.536 -15.265 0.856 1.00 0.82 H new ATOM 0 HA ALA A 82 -0.178 -13.069 1.107 1.00 0.82 H new ATOM 0 HB1 ALA A 82 1.302 -12.058 -0.602 1.00 0.97 H new ATOM 0 HB2 ALA A 82 2.229 -12.908 0.656 1.00 0.97 H new ATOM 0 HB3 ALA A 82 1.992 -13.663 -0.938 1.00 0.97 H new ATOM 1010 N ASP A 83 -0.781 -14.966 -1.443 1.00 0.91 N ATOM 1011 CA ASP A 83 -1.672 -15.198 -2.577 1.00 1.03 C ATOM 1012 C ASP A 83 -3.114 -15.189 -2.091 1.00 0.98 C ATOM 1013 O ASP A 83 -4.046 -14.901 -2.840 1.00 1.03 O ATOM 1014 CB ASP A 83 -1.339 -16.529 -3.264 1.00 1.27 C ATOM 1015 CG ASP A 83 -2.227 -16.813 -4.457 1.00 1.72 C ATOM 1016 OD1 ASP A 83 -1.908 -16.334 -5.567 1.00 2.22 O ATOM 1017 OD2 ASP A 83 -3.236 -17.528 -4.295 1.00 2.33 O ATOM 0 H ASP A 83 -0.216 -15.773 -1.179 1.00 0.91 H new ATOM 0 HA ASP A 83 -1.536 -14.403 -3.310 1.00 1.03 H new ATOM 0 HB2 ASP A 83 -0.298 -16.515 -3.587 1.00 1.27 H new ATOM 0 HB3 ASP A 83 -1.438 -17.340 -2.542 1.00 1.27 H new ATOM 1022 N LYS A 84 -3.276 -15.486 -0.811 1.00 0.96 N ATOM 1023 CA LYS A 84 -4.575 -15.445 -0.164 1.00 1.04 C ATOM 1024 C LYS A 84 -4.951 -14.008 0.171 1.00 0.94 C ATOM 1025 O LYS A 84 -6.090 -13.588 -0.037 1.00 1.04 O ATOM 1026 CB LYS A 84 -4.568 -16.293 1.112 1.00 1.17 C ATOM 1027 CG LYS A 84 -4.721 -17.790 0.879 1.00 1.67 C ATOM 1028 CD LYS A 84 -3.507 -18.397 0.194 1.00 2.01 C ATOM 1029 CE LYS A 84 -3.709 -19.879 -0.075 1.00 2.47 C ATOM 1030 NZ LYS A 84 -4.898 -20.128 -0.933 1.00 3.21 N ATOM 0 H LYS A 84 -2.512 -15.761 -0.194 1.00 0.96 H new ATOM 0 HA LYS A 84 -5.314 -15.855 -0.852 1.00 1.04 H new ATOM 0 HB2 LYS A 84 -3.634 -16.115 1.646 1.00 1.17 H new ATOM 0 HB3 LYS A 84 -5.376 -15.955 1.761 1.00 1.17 H new ATOM 0 HG2 LYS A 84 -4.883 -18.289 1.834 1.00 1.67 H new ATOM 0 HG3 LYS A 84 -5.607 -17.972 0.270 1.00 1.67 H new ATOM 0 HD2 LYS A 84 -3.319 -17.877 -0.745 1.00 2.01 H new ATOM 0 HD3 LYS A 84 -2.625 -18.255 0.819 1.00 2.01 H new ATOM 0 HE2 LYS A 84 -2.820 -20.285 -0.559 1.00 2.47 H new ATOM 0 HE3 LYS A 84 -3.827 -20.407 0.871 1.00 2.47 H new ATOM 0 HZ1 LYS A 84 -4.837 -21.082 -1.343 1.00 3.21 H new ATOM 0 HZ2 LYS A 84 -5.762 -20.053 -0.359 1.00 3.21 H new ATOM 0 HZ3 LYS A 84 -4.928 -19.424 -1.698 1.00 3.21 H new ATOM 1044 N VAL A 85 -3.977 -13.250 0.669 1.00 0.80 N ATOM 1045 CA VAL A 85 -4.206 -11.856 1.037 1.00 0.77 C ATOM 1046 C VAL A 85 -4.501 -11.032 -0.216 1.00 0.68 C ATOM 1047 O VAL A 85 -5.363 -10.155 -0.205 1.00 0.75 O ATOM 1048 CB VAL A 85 -2.993 -11.239 1.792 1.00 0.75 C ATOM 1049 CG1 VAL A 85 -3.418 -10.003 2.569 1.00 1.35 C ATOM 1050 CG2 VAL A 85 -2.315 -12.253 2.716 1.00 1.16 C ATOM 0 H VAL A 85 -3.024 -13.577 0.827 1.00 0.80 H new ATOM 0 HA VAL A 85 -5.061 -11.834 1.712 1.00 0.77 H new ATOM 0 HB VAL A 85 -2.259 -10.946 1.042 1.00 0.75 H new ATOM 0 HG11 VAL A 85 -2.556 -9.586 3.090 1.00 1.35 H new ATOM 0 HG12 VAL A 85 -3.819 -9.260 1.880 1.00 1.35 H new ATOM 0 HG13 VAL A 85 -4.184 -10.275 3.295 1.00 1.35 H new ATOM 0 HG21 VAL A 85 -1.474 -11.779 3.222 1.00 1.16 H new ATOM 0 HG22 VAL A 85 -3.032 -12.606 3.457 1.00 1.16 H new ATOM 0 HG23 VAL A 85 -1.955 -13.097 2.128 1.00 1.16 H new ATOM 1060 N LYS A 86 -3.807 -11.351 -1.304 1.00 0.60 N ATOM 1061 CA LYS A 86 -4.029 -10.686 -2.580 1.00 0.59 C ATOM 1062 C LYS A 86 -5.438 -10.971 -3.090 1.00 0.69 C ATOM 1063 O LYS A 86 -6.083 -10.115 -3.699 1.00 0.78 O ATOM 1064 CB LYS A 86 -2.989 -11.166 -3.597 1.00 0.62 C ATOM 1065 CG LYS A 86 -3.276 -10.740 -5.025 1.00 0.79 C ATOM 1066 CD LYS A 86 -2.246 -11.301 -5.989 1.00 1.07 C ATOM 1067 CE LYS A 86 -2.693 -11.154 -7.434 1.00 1.57 C ATOM 1068 NZ LYS A 86 -2.887 -9.735 -7.823 1.00 2.30 N ATOM 0 H LYS A 86 -3.083 -12.069 -1.325 1.00 0.60 H new ATOM 0 HA LYS A 86 -3.925 -9.610 -2.443 1.00 0.59 H new ATOM 0 HB2 LYS A 86 -2.010 -10.786 -3.306 1.00 0.62 H new ATOM 0 HB3 LYS A 86 -2.934 -12.254 -3.558 1.00 0.62 H new ATOM 0 HG2 LYS A 86 -4.270 -11.080 -5.315 1.00 0.79 H new ATOM 0 HG3 LYS A 86 -3.280 -9.652 -5.088 1.00 0.79 H new ATOM 0 HD2 LYS A 86 -1.296 -10.786 -5.847 1.00 1.07 H new ATOM 0 HD3 LYS A 86 -2.074 -12.354 -5.766 1.00 1.07 H new ATOM 0 HE2 LYS A 86 -1.951 -11.610 -8.089 1.00 1.57 H new ATOM 0 HE3 LYS A 86 -3.625 -11.699 -7.581 1.00 1.57 H new ATOM 0 HZ1 LYS A 86 -3.109 -9.680 -8.838 1.00 2.30 H new ATOM 0 HZ2 LYS A 86 -3.672 -9.329 -7.275 1.00 2.30 H new ATOM 0 HZ3 LYS A 86 -2.016 -9.200 -7.630 1.00 2.30 H new ATOM 1082 N LYS A 87 -5.908 -12.178 -2.818 1.00 0.75 N ATOM 1083 CA LYS A 87 -7.199 -12.634 -3.266 1.00 0.89 C ATOM 1084 C LYS A 87 -8.334 -11.948 -2.502 1.00 0.88 C ATOM 1085 O LYS A 87 -9.310 -11.493 -3.105 1.00 0.93 O ATOM 1086 CB LYS A 87 -7.250 -14.143 -3.067 1.00 1.06 C ATOM 1087 CG LYS A 87 -8.468 -14.806 -3.650 1.00 1.85 C ATOM 1088 CD LYS A 87 -8.437 -16.301 -3.396 1.00 2.29 C ATOM 1089 CE LYS A 87 -9.719 -16.960 -3.851 1.00 3.21 C ATOM 1090 NZ LYS A 87 -9.881 -16.920 -5.328 1.00 3.93 N ATOM 0 H LYS A 87 -5.393 -12.870 -2.274 1.00 0.75 H new ATOM 0 HA LYS A 87 -7.334 -12.381 -4.318 1.00 0.89 H new ATOM 0 HB2 LYS A 87 -6.361 -14.586 -3.515 1.00 1.06 H new ATOM 0 HB3 LYS A 87 -7.210 -14.358 -1.999 1.00 1.06 H new ATOM 0 HG2 LYS A 87 -9.368 -14.376 -3.210 1.00 1.85 H new ATOM 0 HG3 LYS A 87 -8.514 -14.615 -4.722 1.00 1.85 H new ATOM 0 HD2 LYS A 87 -7.591 -16.744 -3.921 1.00 2.29 H new ATOM 0 HD3 LYS A 87 -8.286 -16.489 -2.333 1.00 2.29 H new ATOM 0 HE2 LYS A 87 -9.731 -17.997 -3.514 1.00 3.21 H new ATOM 0 HE3 LYS A 87 -10.567 -16.462 -3.381 1.00 3.21 H new ATOM 0 HZ1 LYS A 87 -10.748 -17.428 -5.596 1.00 3.93 H new ATOM 0 HZ2 LYS A 87 -9.947 -15.931 -5.643 1.00 3.93 H new ATOM 0 HZ3 LYS A 87 -9.061 -17.373 -5.780 1.00 3.93 H new ATOM 1104 N GLU A 88 -8.196 -11.863 -1.181 1.00 0.90 N ATOM 1105 CA GLU A 88 -9.263 -11.331 -0.339 1.00 0.98 C ATOM 1106 C GLU A 88 -9.293 -9.800 -0.337 1.00 0.96 C ATOM 1107 O GLU A 88 -10.367 -9.203 -0.415 1.00 1.02 O ATOM 1108 CB GLU A 88 -9.142 -11.851 1.095 1.00 1.06 C ATOM 1109 CG GLU A 88 -7.831 -11.496 1.775 1.00 1.16 C ATOM 1110 CD GLU A 88 -7.908 -11.635 3.276 1.00 1.87 C ATOM 1111 OE1 GLU A 88 -8.455 -10.719 3.928 1.00 2.43 O ATOM 1112 OE2 GLU A 88 -7.434 -12.655 3.814 1.00 2.58 O ATOM 0 H GLU A 88 -7.361 -12.154 -0.673 1.00 0.90 H new ATOM 0 HA GLU A 88 -10.201 -11.682 -0.768 1.00 0.98 H new ATOM 0 HB2 GLU A 88 -9.966 -11.450 1.686 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -9.253 -12.935 1.087 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -7.040 -12.141 1.393 1.00 1.16 H new ATOM 0 HG3 GLU A 88 -7.558 -10.472 1.521 1.00 1.16 H new ATOM 1119 N ILE A 89 -8.125 -9.164 -0.245 1.00 0.91 N ATOM 1120 CA ILE A 89 -8.057 -7.703 -0.205 1.00 0.93 C ATOM 1121 C ILE A 89 -8.587 -7.117 -1.509 1.00 0.87 C ATOM 1122 O ILE A 89 -9.219 -6.059 -1.521 1.00 0.91 O ATOM 1123 CB ILE A 89 -6.615 -7.199 0.057 1.00 0.96 C ATOM 1124 CG1 ILE A 89 -6.122 -7.669 1.432 1.00 1.05 C ATOM 1125 CG2 ILE A 89 -6.535 -5.679 -0.042 1.00 1.03 C ATOM 1126 CD1 ILE A 89 -6.969 -7.183 2.592 1.00 1.17 C ATOM 0 H ILE A 89 -7.220 -9.633 -0.197 1.00 0.91 H new ATOM 0 HA ILE A 89 -8.680 -7.367 0.624 1.00 0.93 H new ATOM 0 HB ILE A 89 -5.969 -7.623 -0.712 1.00 0.96 H new ATOM 0 HG12 ILE A 89 -6.098 -8.759 1.445 1.00 1.05 H new ATOM 0 HG13 ILE A 89 -5.097 -7.326 1.575 1.00 1.05 H new ATOM 0 HG21 ILE A 89 -5.511 -5.355 0.147 1.00 1.03 H new ATOM 0 HG22 ILE A 89 -6.837 -5.363 -1.040 1.00 1.03 H new ATOM 0 HG23 ILE A 89 -7.199 -5.231 0.697 1.00 1.03 H new ATOM 0 HD11 ILE A 89 -6.554 -7.558 3.528 1.00 1.17 H new ATOM 0 HD12 ILE A 89 -6.973 -6.093 2.608 1.00 1.17 H new ATOM 0 HD13 ILE A 89 -7.989 -7.548 2.475 1.00 1.17 H new ATOM 1138 N GLU A 90 -8.360 -7.842 -2.595 1.00 0.81 N ATOM 1139 CA GLU A 90 -8.878 -7.452 -3.906 1.00 0.79 C ATOM 1140 C GLU A 90 -10.401 -7.359 -3.861 1.00 0.79 C ATOM 1141 O GLU A 90 -10.994 -6.408 -4.374 1.00 0.79 O ATOM 1142 CB GLU A 90 -8.438 -8.461 -4.975 1.00 0.83 C ATOM 1143 CG GLU A 90 -9.233 -8.392 -6.265 1.00 1.35 C ATOM 1144 CD GLU A 90 -8.930 -9.558 -7.179 1.00 1.53 C ATOM 1145 OE1 GLU A 90 -7.943 -9.483 -7.942 1.00 1.94 O ATOM 1146 OE2 GLU A 90 -9.670 -10.564 -7.127 1.00 2.08 O ATOM 0 H GLU A 90 -7.819 -8.707 -2.598 1.00 0.81 H new ATOM 0 HA GLU A 90 -8.474 -6.474 -4.166 1.00 0.79 H new ATOM 0 HB2 GLU A 90 -7.385 -8.296 -5.202 1.00 0.83 H new ATOM 0 HB3 GLU A 90 -8.521 -9.467 -4.564 1.00 0.83 H new ATOM 0 HG2 GLU A 90 -10.298 -8.379 -6.034 1.00 1.35 H new ATOM 0 HG3 GLU A 90 -9.007 -7.459 -6.781 1.00 1.35 H new ATOM 1153 N LYS A 91 -11.023 -8.343 -3.222 1.00 0.85 N ATOM 1154 CA LYS A 91 -12.473 -8.385 -3.113 1.00 0.93 C ATOM 1155 C LYS A 91 -12.976 -7.266 -2.214 1.00 0.96 C ATOM 1156 O LYS A 91 -13.896 -6.541 -2.578 1.00 0.97 O ATOM 1157 CB LYS A 91 -12.940 -9.735 -2.566 1.00 1.11 C ATOM 1158 CG LYS A 91 -12.432 -10.928 -3.355 1.00 1.66 C ATOM 1159 CD LYS A 91 -12.786 -10.830 -4.830 1.00 1.93 C ATOM 1160 CE LYS A 91 -12.345 -12.073 -5.586 1.00 2.60 C ATOM 1161 NZ LYS A 91 -10.879 -12.296 -5.495 1.00 3.12 N ATOM 0 H LYS A 91 -10.544 -9.123 -2.772 1.00 0.85 H new ATOM 0 HA LYS A 91 -12.886 -8.250 -4.113 1.00 0.93 H new ATOM 0 HB2 LYS A 91 -12.611 -9.830 -1.531 1.00 1.11 H new ATOM 0 HB3 LYS A 91 -14.030 -9.755 -2.557 1.00 1.11 H new ATOM 0 HG2 LYS A 91 -11.350 -11.000 -3.246 1.00 1.66 H new ATOM 0 HG3 LYS A 91 -12.855 -11.843 -2.941 1.00 1.66 H new ATOM 0 HD2 LYS A 91 -13.862 -10.697 -4.940 1.00 1.93 H new ATOM 0 HD3 LYS A 91 -12.310 -9.950 -5.263 1.00 1.93 H new ATOM 0 HE2 LYS A 91 -12.868 -12.943 -5.188 1.00 2.60 H new ATOM 0 HE3 LYS A 91 -12.632 -11.980 -6.633 1.00 2.60 H new ATOM 0 HZ1 LYS A 91 -10.625 -13.154 -6.025 1.00 3.12 H new ATOM 0 HZ2 LYS A 91 -10.378 -11.479 -5.898 1.00 3.12 H new ATOM 0 HZ3 LYS A 91 -10.607 -12.412 -4.498 1.00 3.12 H new ATOM 1175 N LYS A 92 -12.355 -7.127 -1.047 1.00 1.03 N ATOM 1176 CA LYS A 92 -12.744 -6.104 -0.078 1.00 1.17 C ATOM 1177 C LYS A 92 -12.638 -4.709 -0.685 1.00 1.08 C ATOM 1178 O LYS A 92 -13.486 -3.848 -0.454 1.00 1.15 O ATOM 1179 CB LYS A 92 -11.872 -6.197 1.175 1.00 1.37 C ATOM 1180 CG LYS A 92 -12.042 -7.500 1.938 1.00 1.59 C ATOM 1181 CD LYS A 92 -11.191 -7.526 3.196 1.00 1.81 C ATOM 1182 CE LYS A 92 -11.477 -8.759 4.038 1.00 2.18 C ATOM 1183 NZ LYS A 92 -11.082 -10.018 3.351 1.00 2.41 N ATOM 0 H LYS A 92 -11.576 -7.713 -0.747 1.00 1.03 H new ATOM 0 HA LYS A 92 -13.783 -6.281 0.199 1.00 1.17 H new ATOM 0 HB2 LYS A 92 -10.826 -6.087 0.889 1.00 1.37 H new ATOM 0 HB3 LYS A 92 -12.111 -5.364 1.837 1.00 1.37 H new ATOM 0 HG2 LYS A 92 -13.091 -7.632 2.205 1.00 1.59 H new ATOM 0 HG3 LYS A 92 -11.768 -8.337 1.296 1.00 1.59 H new ATOM 0 HD2 LYS A 92 -10.136 -7.508 2.923 1.00 1.81 H new ATOM 0 HD3 LYS A 92 -11.384 -6.629 3.785 1.00 1.81 H new ATOM 0 HE2 LYS A 92 -10.942 -8.681 4.985 1.00 2.18 H new ATOM 0 HE3 LYS A 92 -12.540 -8.796 4.275 1.00 2.18 H new ATOM 0 HZ1 LYS A 92 -11.517 -10.829 3.835 1.00 2.41 H new ATOM 0 HZ2 LYS A 92 -11.405 -9.990 2.363 1.00 2.41 H new ATOM 0 HZ3 LYS A 92 -10.047 -10.116 3.374 1.00 2.41 H new ATOM 1197 N ALA A 93 -11.589 -4.492 -1.460 1.00 0.98 N ATOM 1198 CA ALA A 93 -11.405 -3.238 -2.171 1.00 0.99 C ATOM 1199 C ALA A 93 -12.549 -2.998 -3.153 1.00 0.90 C ATOM 1200 O ALA A 93 -13.011 -1.875 -3.319 1.00 0.98 O ATOM 1201 CB ALA A 93 -10.073 -3.240 -2.899 1.00 1.01 C ATOM 0 H ALA A 93 -10.846 -5.174 -1.614 1.00 0.98 H new ATOM 0 HA ALA A 93 -11.407 -2.426 -1.444 1.00 0.99 H new ATOM 0 HB1 ALA A 93 -9.946 -2.296 -3.428 1.00 1.01 H new ATOM 0 HB2 ALA A 93 -9.265 -3.364 -2.178 1.00 1.01 H new ATOM 0 HB3 ALA A 93 -10.050 -4.062 -3.614 1.00 1.01 H new ATOM 1207 N ARG A 94 -13.014 -4.066 -3.784 1.00 0.82 N ATOM 1208 CA ARG A 94 -14.112 -3.967 -4.738 1.00 0.85 C ATOM 1209 C ARG A 94 -15.429 -3.720 -4.018 1.00 0.86 C ATOM 1210 O ARG A 94 -16.268 -2.954 -4.490 1.00 0.92 O ATOM 1211 CB ARG A 94 -14.206 -5.238 -5.588 1.00 0.93 C ATOM 1212 CG ARG A 94 -13.030 -5.423 -6.528 1.00 1.31 C ATOM 1213 CD ARG A 94 -13.145 -6.707 -7.330 1.00 1.63 C ATOM 1214 NE ARG A 94 -12.006 -6.885 -8.226 1.00 2.21 N ATOM 1215 CZ ARG A 94 -11.774 -7.987 -8.933 1.00 2.80 C ATOM 1216 NH1 ARG A 94 -12.612 -9.016 -8.869 1.00 2.96 N ATOM 1217 NH2 ARG A 94 -10.703 -8.053 -9.713 1.00 3.67 N ATOM 0 H ARG A 94 -12.650 -5.010 -3.654 1.00 0.82 H new ATOM 0 HA ARG A 94 -13.912 -3.122 -5.397 1.00 0.85 H new ATOM 0 HB2 ARG A 94 -14.274 -6.103 -4.928 1.00 0.93 H new ATOM 0 HB3 ARG A 94 -15.126 -5.209 -6.171 1.00 0.93 H new ATOM 0 HG2 ARG A 94 -12.972 -4.574 -7.209 1.00 1.31 H new ATOM 0 HG3 ARG A 94 -12.104 -5.435 -5.953 1.00 1.31 H new ATOM 0 HD2 ARG A 94 -13.210 -7.557 -6.650 1.00 1.63 H new ATOM 0 HD3 ARG A 94 -14.067 -6.692 -7.911 1.00 1.63 H new ATOM 0 HE ARG A 94 -11.345 -6.113 -8.315 1.00 2.21 H new ATOM 0 HH11 ARG A 94 -13.439 -8.964 -8.275 1.00 2.96 H new ATOM 0 HH12 ARG A 94 -12.428 -9.858 -9.414 1.00 2.96 H new ATOM 0 HH21 ARG A 94 -10.063 -7.261 -9.768 1.00 3.67 H new ATOM 0 HH22 ARG A 94 -10.520 -8.896 -10.258 1.00 3.67 H new ATOM 1231 N LYS A 95 -15.594 -4.357 -2.862 1.00 0.90 N ATOM 1232 CA LYS A 95 -16.803 -4.202 -2.057 1.00 1.02 C ATOM 1233 C LYS A 95 -16.961 -2.760 -1.592 1.00 1.02 C ATOM 1234 O LYS A 95 -18.075 -2.264 -1.436 1.00 1.15 O ATOM 1235 CB LYS A 95 -16.766 -5.129 -0.836 1.00 1.23 C ATOM 1236 CG LYS A 95 -16.595 -6.601 -1.175 1.00 1.55 C ATOM 1237 CD LYS A 95 -17.721 -7.111 -2.057 1.00 2.10 C ATOM 1238 CE LYS A 95 -17.524 -8.574 -2.416 1.00 2.52 C ATOM 1239 NZ LYS A 95 -18.625 -9.089 -3.268 1.00 3.34 N ATOM 0 H LYS A 95 -14.902 -4.989 -2.460 1.00 0.90 H new ATOM 0 HA LYS A 95 -17.654 -4.470 -2.683 1.00 1.02 H new ATOM 0 HB2 LYS A 95 -15.948 -4.821 -0.185 1.00 1.23 H new ATOM 0 HB3 LYS A 95 -17.689 -5.003 -0.270 1.00 1.23 H new ATOM 0 HG2 LYS A 95 -15.641 -6.749 -1.681 1.00 1.55 H new ATOM 0 HG3 LYS A 95 -16.561 -7.184 -0.255 1.00 1.55 H new ATOM 0 HD2 LYS A 95 -18.674 -6.986 -1.542 1.00 2.10 H new ATOM 0 HD3 LYS A 95 -17.770 -6.515 -2.968 1.00 2.10 H new ATOM 0 HE2 LYS A 95 -16.575 -8.695 -2.938 1.00 2.52 H new ATOM 0 HE3 LYS A 95 -17.464 -9.167 -1.503 1.00 2.52 H new ATOM 0 HZ1 LYS A 95 -18.453 -10.090 -3.490 1.00 3.34 H new ATOM 0 HZ2 LYS A 95 -19.528 -8.998 -2.761 1.00 3.34 H new ATOM 0 HZ3 LYS A 95 -18.667 -8.541 -4.151 1.00 3.34 H new ATOM 1253 N LYS A 96 -15.837 -2.087 -1.389 1.00 0.97 N ATOM 1254 CA LYS A 96 -15.850 -0.715 -0.905 1.00 1.03 C ATOM 1255 C LYS A 96 -15.711 0.270 -2.068 1.00 0.96 C ATOM 1256 O LYS A 96 -15.497 1.466 -1.866 1.00 1.07 O ATOM 1257 CB LYS A 96 -14.720 -0.504 0.129 1.00 1.15 C ATOM 1258 CG LYS A 96 -13.331 -0.401 -0.473 1.00 1.29 C ATOM 1259 CD LYS A 96 -12.302 0.046 0.560 1.00 1.68 C ATOM 1260 CE LYS A 96 -12.316 -0.832 1.805 1.00 1.78 C ATOM 1261 NZ LYS A 96 -12.031 -2.256 1.492 1.00 2.17 N ATOM 0 H LYS A 96 -14.905 -2.469 -1.552 1.00 0.97 H new ATOM 0 HA LYS A 96 -16.806 -0.527 -0.417 1.00 1.03 H new ATOM 0 HB2 LYS A 96 -14.926 0.405 0.694 1.00 1.15 H new ATOM 0 HB3 LYS A 96 -14.735 -1.331 0.839 1.00 1.15 H new ATOM 0 HG2 LYS A 96 -13.039 -1.368 -0.883 1.00 1.29 H new ATOM 0 HG3 LYS A 96 -13.345 0.306 -1.303 1.00 1.29 H new ATOM 0 HD2 LYS A 96 -11.308 0.024 0.113 1.00 1.68 H new ATOM 0 HD3 LYS A 96 -12.501 1.079 0.844 1.00 1.68 H new ATOM 0 HE2 LYS A 96 -11.576 -0.463 2.516 1.00 1.78 H new ATOM 0 HE3 LYS A 96 -13.289 -0.756 2.290 1.00 1.78 H new ATOM 0 HZ1 LYS A 96 -12.167 -2.833 2.346 1.00 2.17 H new ATOM 0 HZ2 LYS A 96 -12.677 -2.584 0.746 1.00 2.17 H new ATOM 0 HZ3 LYS A 96 -11.048 -2.349 1.164 1.00 2.17 H new ATOM 1275 N ASN A 97 -15.851 -0.261 -3.286 1.00 0.86 N ATOM 1276 CA ASN A 97 -15.767 0.529 -4.517 1.00 0.86 C ATOM 1277 C ASN A 97 -14.460 1.304 -4.591 1.00 0.87 C ATOM 1278 O ASN A 97 -14.444 2.502 -4.881 1.00 1.04 O ATOM 1279 CB ASN A 97 -16.953 1.493 -4.645 1.00 0.97 C ATOM 1280 CG ASN A 97 -18.264 0.786 -4.928 1.00 1.61 C ATOM 1281 OD1 ASN A 97 -18.496 -0.338 -4.480 1.00 2.27 O ATOM 1282 ND2 ASN A 97 -19.131 1.440 -5.683 1.00 2.33 N ATOM 0 H ASN A 97 -16.026 -1.253 -3.446 1.00 0.86 H new ATOM 0 HA ASN A 97 -15.800 -0.174 -5.349 1.00 0.86 H new ATOM 0 HB2 ASN A 97 -17.048 2.068 -3.724 1.00 0.97 H new ATOM 0 HB3 ASN A 97 -16.751 2.205 -5.445 1.00 0.97 H new ATOM 0 HD21 ASN A 97 -20.029 1.015 -5.913 1.00 2.33 H new ATOM 0 HD22 ASN A 97 -18.901 2.369 -6.035 1.00 2.33 H new ATOM 1289 N LEU A 98 -13.363 0.614 -4.333 1.00 0.78 N ATOM 1290 CA LEU A 98 -12.054 1.238 -4.333 1.00 0.84 C ATOM 1291 C LEU A 98 -11.083 0.459 -5.217 1.00 0.71 C ATOM 1292 O LEU A 98 -10.591 -0.598 -4.819 1.00 0.65 O ATOM 1293 CB LEU A 98 -11.518 1.298 -2.903 1.00 1.00 C ATOM 1294 CG LEU A 98 -10.202 2.056 -2.726 1.00 1.40 C ATOM 1295 CD1 LEU A 98 -10.375 3.532 -3.060 1.00 1.70 C ATOM 1296 CD2 LEU A 98 -9.681 1.882 -1.308 1.00 2.08 C ATOM 0 H LEU A 98 -13.354 -0.383 -4.120 1.00 0.78 H new ATOM 0 HA LEU A 98 -12.148 2.248 -4.733 1.00 0.84 H new ATOM 0 HB2 LEU A 98 -12.273 1.763 -2.269 1.00 1.00 H new ATOM 0 HB3 LEU A 98 -11.382 0.279 -2.541 1.00 1.00 H new ATOM 0 HG LEU A 98 -9.470 1.640 -3.418 1.00 1.40 H new ATOM 0 HD11 LEU A 98 -9.425 4.049 -2.926 1.00 1.70 H new ATOM 0 HD12 LEU A 98 -10.702 3.635 -4.095 1.00 1.70 H new ATOM 0 HD13 LEU A 98 -11.123 3.970 -2.398 1.00 1.70 H new ATOM 0 HD21 LEU A 98 -8.744 2.427 -1.195 1.00 2.08 H new ATOM 0 HD22 LEU A 98 -10.414 2.271 -0.601 1.00 2.08 H new ATOM 0 HD23 LEU A 98 -9.512 0.824 -1.110 1.00 2.08 H new ATOM 1308 N PRO A 99 -10.829 0.944 -6.443 1.00 0.83 N ATOM 1309 CA PRO A 99 -9.817 0.354 -7.323 1.00 0.85 C ATOM 1310 C PRO A 99 -8.430 0.395 -6.688 1.00 0.70 C ATOM 1311 O PRO A 99 -8.008 1.428 -6.163 1.00 0.77 O ATOM 1312 CB PRO A 99 -9.848 1.229 -8.580 1.00 1.15 C ATOM 1313 CG PRO A 99 -11.137 1.979 -8.521 1.00 1.25 C ATOM 1314 CD PRO A 99 -11.516 2.087 -7.066 1.00 1.10 C ATOM 0 HA PRO A 99 -10.025 -0.696 -7.529 1.00 0.85 H new ATOM 0 HB2 PRO A 99 -8.999 1.912 -8.602 1.00 1.15 H new ATOM 0 HB3 PRO A 99 -9.791 0.620 -9.482 1.00 1.15 H new ATOM 0 HG2 PRO A 99 -11.029 2.968 -8.966 1.00 1.25 H new ATOM 0 HG3 PRO A 99 -11.912 1.459 -9.084 1.00 1.25 H new ATOM 0 HD2 PRO A 99 -11.189 3.034 -6.636 1.00 1.10 H new ATOM 0 HD3 PRO A 99 -12.596 2.030 -6.928 1.00 1.10 H new ATOM 1322 N VAL A 100 -7.724 -0.727 -6.736 1.00 0.58 N ATOM 1323 CA VAL A 100 -6.415 -0.834 -6.104 1.00 0.47 C ATOM 1324 C VAL A 100 -5.380 -1.369 -7.086 1.00 0.42 C ATOM 1325 O VAL A 100 -5.691 -2.211 -7.930 1.00 0.50 O ATOM 1326 CB VAL A 100 -6.456 -1.748 -4.853 1.00 0.46 C ATOM 1327 CG1 VAL A 100 -7.354 -1.149 -3.784 1.00 1.30 C ATOM 1328 CG2 VAL A 100 -6.924 -3.151 -5.216 1.00 1.35 C ATOM 0 H VAL A 100 -8.036 -1.577 -7.206 1.00 0.58 H new ATOM 0 HA VAL A 100 -6.131 0.170 -5.790 1.00 0.47 H new ATOM 0 HB VAL A 100 -5.443 -1.821 -4.456 1.00 0.46 H new ATOM 0 HG11 VAL A 100 -7.370 -1.805 -2.913 1.00 1.30 H new ATOM 0 HG12 VAL A 100 -6.972 -0.170 -3.494 1.00 1.30 H new ATOM 0 HG13 VAL A 100 -8.365 -1.042 -4.176 1.00 1.30 H new ATOM 0 HG21 VAL A 100 -6.943 -3.771 -4.320 1.00 1.35 H new ATOM 0 HG22 VAL A 100 -7.925 -3.101 -5.645 1.00 1.35 H new ATOM 0 HG23 VAL A 100 -6.239 -3.586 -5.944 1.00 1.35 H new ATOM 1338 N ARG A 101 -4.160 -0.862 -6.994 1.00 0.43 N ATOM 1339 CA ARG A 101 -3.078 -1.349 -7.831 1.00 0.43 C ATOM 1340 C ARG A 101 -2.081 -2.138 -6.990 1.00 0.40 C ATOM 1341 O ARG A 101 -1.259 -1.557 -6.277 1.00 0.39 O ATOM 1342 CB ARG A 101 -2.377 -0.184 -8.530 1.00 0.49 C ATOM 1343 CG ARG A 101 -1.424 -0.631 -9.624 1.00 1.20 C ATOM 1344 CD ARG A 101 -0.876 0.546 -10.410 1.00 1.40 C ATOM 1345 NE ARG A 101 0.045 0.107 -11.455 1.00 2.23 N ATOM 1346 CZ ARG A 101 0.703 0.926 -12.271 1.00 2.89 C ATOM 1347 NH1 ARG A 101 0.538 2.239 -12.183 1.00 2.96 N ATOM 1348 NH2 ARG A 101 1.526 0.424 -13.182 1.00 3.87 N ATOM 0 H ARG A 101 -3.896 -0.116 -6.350 1.00 0.43 H new ATOM 0 HA ARG A 101 -3.495 -2.007 -8.593 1.00 0.43 H new ATOM 0 HB2 ARG A 101 -3.128 0.479 -8.959 1.00 0.49 H new ATOM 0 HB3 ARG A 101 -1.825 0.396 -7.791 1.00 0.49 H new ATOM 0 HG2 ARG A 101 -0.598 -1.188 -9.181 1.00 1.20 H new ATOM 0 HG3 ARG A 101 -1.941 -1.311 -10.301 1.00 1.20 H new ATOM 0 HD2 ARG A 101 -1.700 1.101 -10.859 1.00 1.40 H new ATOM 0 HD3 ARG A 101 -0.362 1.229 -9.734 1.00 1.40 H new ATOM 0 HE ARG A 101 0.194 -0.896 -11.567 1.00 2.23 H new ATOM 0 HH11 ARG A 101 -0.097 2.628 -11.486 1.00 2.96 H new ATOM 0 HH12 ARG A 101 1.046 2.860 -12.812 1.00 2.96 H new ATOM 0 HH21 ARG A 101 1.652 -0.586 -13.254 1.00 3.87 H new ATOM 0 HH22 ARG A 101 2.033 1.048 -13.810 1.00 3.87 H new ATOM 1362 N ILE A 102 -2.162 -3.458 -7.069 1.00 0.43 N ATOM 1363 CA ILE A 102 -1.322 -4.327 -6.255 1.00 0.43 C ATOM 1364 C ILE A 102 -0.084 -4.776 -7.024 1.00 0.45 C ATOM 1365 O ILE A 102 -0.178 -5.488 -8.028 1.00 0.56 O ATOM 1366 CB ILE A 102 -2.103 -5.570 -5.770 1.00 0.54 C ATOM 1367 CG1 ILE A 102 -3.370 -5.145 -5.016 1.00 0.60 C ATOM 1368 CG2 ILE A 102 -1.222 -6.443 -4.882 1.00 0.60 C ATOM 1369 CD1 ILE A 102 -4.236 -6.306 -4.568 1.00 0.76 C ATOM 0 H ILE A 102 -2.802 -3.953 -7.690 1.00 0.43 H new ATOM 0 HA ILE A 102 -1.010 -3.746 -5.388 1.00 0.43 H new ATOM 0 HB ILE A 102 -2.398 -6.154 -6.642 1.00 0.54 H new ATOM 0 HG12 ILE A 102 -3.082 -4.561 -4.142 1.00 0.60 H new ATOM 0 HG13 ILE A 102 -3.960 -4.490 -5.657 1.00 0.60 H new ATOM 0 HG21 ILE A 102 -1.789 -7.313 -4.550 1.00 0.60 H new ATOM 0 HG22 ILE A 102 -0.349 -6.772 -5.446 1.00 0.60 H new ATOM 0 HG23 ILE A 102 -0.898 -5.869 -4.014 1.00 0.60 H new ATOM 0 HD11 ILE A 102 -5.112 -5.925 -4.043 1.00 0.76 H new ATOM 0 HD12 ILE A 102 -4.556 -6.879 -5.439 1.00 0.76 H new ATOM 0 HD13 ILE A 102 -3.664 -6.950 -3.900 1.00 0.76 H new ATOM 1381 N ARG A 103 1.076 -4.351 -6.546 1.00 0.41 N ATOM 1382 CA ARG A 103 2.343 -4.752 -7.133 1.00 0.50 C ATOM 1383 C ARG A 103 3.164 -5.524 -6.109 1.00 0.43 C ATOM 1384 O ARG A 103 3.240 -5.135 -4.943 1.00 0.53 O ATOM 1385 CB ARG A 103 3.127 -3.532 -7.628 1.00 0.65 C ATOM 1386 CG ARG A 103 2.424 -2.771 -8.751 1.00 1.12 C ATOM 1387 CD ARG A 103 3.392 -1.904 -9.572 1.00 1.27 C ATOM 1388 NE ARG A 103 4.554 -2.664 -10.034 1.00 1.83 N ATOM 1389 CZ ARG A 103 5.489 -2.174 -10.850 1.00 2.44 C ATOM 1390 NH1 ARG A 103 5.400 -0.926 -11.297 1.00 2.64 N ATOM 1391 NH2 ARG A 103 6.512 -2.936 -11.219 1.00 3.34 N ATOM 0 H ARG A 103 1.164 -3.724 -5.747 1.00 0.41 H new ATOM 0 HA ARG A 103 2.140 -5.395 -7.990 1.00 0.50 H new ATOM 0 HB2 ARG A 103 3.296 -2.855 -6.791 1.00 0.65 H new ATOM 0 HB3 ARG A 103 4.107 -3.857 -7.978 1.00 0.65 H new ATOM 0 HG2 ARG A 103 1.929 -3.482 -9.412 1.00 1.12 H new ATOM 0 HG3 ARG A 103 1.647 -2.137 -8.324 1.00 1.12 H new ATOM 0 HD2 ARG A 103 2.866 -1.488 -10.431 1.00 1.27 H new ATOM 0 HD3 ARG A 103 3.727 -1.062 -8.966 1.00 1.27 H new ATOM 0 HE ARG A 103 4.655 -3.627 -9.713 1.00 1.83 H new ATOM 0 HH11 ARG A 103 4.615 -0.339 -11.016 1.00 2.64 H new ATOM 0 HH12 ARG A 103 6.117 -0.555 -11.921 1.00 2.64 H new ATOM 0 HH21 ARG A 103 6.582 -3.895 -10.879 1.00 3.34 H new ATOM 0 HH22 ARG A 103 7.227 -2.562 -11.843 1.00 3.34 H new ATOM 1405 N LYS A 104 3.765 -6.621 -6.538 1.00 0.38 N ATOM 1406 CA LYS A 104 4.536 -7.461 -5.638 1.00 0.39 C ATOM 1407 C LYS A 104 6.025 -7.206 -5.824 1.00 0.37 C ATOM 1408 O LYS A 104 6.611 -7.581 -6.842 1.00 0.46 O ATOM 1409 CB LYS A 104 4.212 -8.942 -5.866 1.00 0.51 C ATOM 1410 CG LYS A 104 2.731 -9.270 -5.725 1.00 0.63 C ATOM 1411 CD LYS A 104 2.461 -10.765 -5.817 1.00 1.06 C ATOM 1412 CE LYS A 104 2.891 -11.343 -7.157 1.00 1.50 C ATOM 1413 NZ LYS A 104 2.532 -12.782 -7.277 1.00 1.91 N ATOM 0 H LYS A 104 3.734 -6.950 -7.503 1.00 0.38 H new ATOM 0 HA LYS A 104 4.264 -7.208 -4.613 1.00 0.39 H new ATOM 0 HB2 LYS A 104 4.546 -9.229 -6.863 1.00 0.51 H new ATOM 0 HB3 LYS A 104 4.778 -9.543 -5.155 1.00 0.51 H new ATOM 0 HG2 LYS A 104 2.367 -8.895 -4.768 1.00 0.63 H new ATOM 0 HG3 LYS A 104 2.171 -8.753 -6.504 1.00 0.63 H new ATOM 0 HD2 LYS A 104 2.990 -11.279 -5.015 1.00 1.06 H new ATOM 0 HD3 LYS A 104 1.397 -10.951 -5.667 1.00 1.06 H new ATOM 0 HE2 LYS A 104 2.419 -10.782 -7.964 1.00 1.50 H new ATOM 0 HE3 LYS A 104 3.968 -11.226 -7.275 1.00 1.50 H new ATOM 0 HZ1 LYS A 104 3.148 -13.236 -7.981 1.00 1.91 H new ATOM 0 HZ2 LYS A 104 2.656 -13.249 -6.356 1.00 1.91 H new ATOM 0 HZ3 LYS A 104 1.540 -12.868 -7.578 1.00 1.91 H new ATOM 1427 N VAL A 105 6.632 -6.568 -4.836 1.00 0.35 N ATOM 1428 CA VAL A 105 8.038 -6.188 -4.915 1.00 0.39 C ATOM 1429 C VAL A 105 8.765 -6.550 -3.627 1.00 0.46 C ATOM 1430 O VAL A 105 8.188 -6.503 -2.541 1.00 0.52 O ATOM 1431 CB VAL A 105 8.238 -4.660 -5.177 1.00 0.43 C ATOM 1432 CG1 VAL A 105 7.580 -4.215 -6.474 1.00 0.43 C ATOM 1433 CG2 VAL A 105 7.721 -3.818 -4.014 1.00 0.55 C ATOM 0 H VAL A 105 6.173 -6.300 -3.965 1.00 0.35 H new ATOM 0 HA VAL A 105 8.451 -6.740 -5.759 1.00 0.39 H new ATOM 0 HB VAL A 105 9.312 -4.501 -5.269 1.00 0.43 H new ATOM 0 HG11 VAL A 105 7.743 -3.147 -6.617 1.00 0.43 H new ATOM 0 HG12 VAL A 105 8.015 -4.764 -7.309 1.00 0.43 H new ATOM 0 HG13 VAL A 105 6.510 -4.415 -6.426 1.00 0.43 H new ATOM 0 HG21 VAL A 105 7.877 -2.762 -4.232 1.00 0.55 H new ATOM 0 HG22 VAL A 105 6.657 -4.006 -3.874 1.00 0.55 H new ATOM 0 HG23 VAL A 105 8.260 -4.084 -3.104 1.00 0.55 H new ATOM 1443 N THR A 106 10.021 -6.941 -3.749 1.00 0.52 N ATOM 1444 CA THR A 106 10.885 -7.022 -2.592 1.00 0.61 C ATOM 1445 C THR A 106 12.252 -6.453 -2.943 1.00 0.58 C ATOM 1446 O THR A 106 13.142 -7.162 -3.415 1.00 0.67 O ATOM 1447 CB THR A 106 11.017 -8.473 -2.082 1.00 0.80 C ATOM 1448 OG1 THR A 106 9.711 -9.009 -1.837 1.00 1.32 O ATOM 1449 CG2 THR A 106 11.839 -8.535 -0.801 1.00 1.64 C ATOM 0 H THR A 106 10.460 -7.205 -4.631 1.00 0.52 H new ATOM 0 HA THR A 106 10.441 -6.436 -1.787 1.00 0.61 H new ATOM 0 HB THR A 106 11.529 -9.060 -2.844 1.00 0.80 H new ATOM 0 HG1 THR A 106 9.791 -9.931 -1.514 1.00 1.32 H new ATOM 0 HG21 THR A 106 11.914 -9.570 -0.467 1.00 1.64 H new ATOM 0 HG22 THR A 106 12.838 -8.141 -0.990 1.00 1.64 H new ATOM 0 HG23 THR A 106 11.354 -7.938 -0.028 1.00 1.64 H new ATOM 1457 N SER A 107 12.382 -5.160 -2.674 1.00 0.50 N ATOM 1458 CA SER A 107 13.579 -4.366 -2.927 1.00 0.51 C ATOM 1459 C SER A 107 13.274 -2.931 -2.514 1.00 0.45 C ATOM 1460 O SER A 107 12.365 -2.306 -3.063 1.00 0.44 O ATOM 1461 CB SER A 107 13.990 -4.391 -4.408 1.00 0.56 C ATOM 1462 OG SER A 107 14.611 -5.615 -4.764 1.00 1.36 O ATOM 0 H SER A 107 11.628 -4.614 -2.258 1.00 0.50 H new ATOM 0 HA SER A 107 14.408 -4.785 -2.356 1.00 0.51 H new ATOM 0 HB2 SER A 107 13.110 -4.236 -5.032 1.00 0.56 H new ATOM 0 HB3 SER A 107 14.673 -3.566 -4.609 1.00 0.56 H new ATOM 0 HG SER A 107 14.401 -6.296 -4.091 1.00 1.36 H new ATOM 1468 N PRO A 108 14.012 -2.400 -1.525 1.00 0.47 N ATOM 1469 CA PRO A 108 13.769 -1.059 -0.982 1.00 0.49 C ATOM 1470 C PRO A 108 13.858 0.028 -2.045 1.00 0.43 C ATOM 1471 O PRO A 108 13.085 0.984 -2.026 1.00 0.47 O ATOM 1472 CB PRO A 108 14.877 -0.878 0.062 1.00 0.63 C ATOM 1473 CG PRO A 108 15.902 -1.904 -0.274 1.00 0.69 C ATOM 1474 CD PRO A 108 15.143 -3.059 -0.856 1.00 0.55 C ATOM 0 HA PRO A 108 12.763 -0.972 -0.571 1.00 0.49 H new ATOM 0 HB2 PRO A 108 15.297 0.127 0.020 1.00 0.63 H new ATOM 0 HB3 PRO A 108 14.493 -1.021 1.072 1.00 0.63 H new ATOM 0 HG2 PRO A 108 16.628 -1.513 -0.987 1.00 0.69 H new ATOM 0 HG3 PRO A 108 16.458 -2.208 0.613 1.00 0.69 H new ATOM 0 HD2 PRO A 108 15.751 -3.630 -1.557 1.00 0.55 H new ATOM 0 HD3 PRO A 108 14.809 -3.753 -0.085 1.00 0.55 H new ATOM 1482 N ASP A 109 14.789 -0.132 -2.979 1.00 0.46 N ATOM 1483 CA ASP A 109 14.985 0.852 -4.042 1.00 0.50 C ATOM 1484 C ASP A 109 13.764 0.926 -4.955 1.00 0.41 C ATOM 1485 O ASP A 109 13.340 2.013 -5.357 1.00 0.44 O ATOM 1486 CB ASP A 109 16.234 0.516 -4.861 1.00 0.64 C ATOM 1487 CG ASP A 109 16.482 1.518 -5.968 1.00 1.56 C ATOM 1488 OD1 ASP A 109 16.764 2.695 -5.659 1.00 2.22 O ATOM 1489 OD2 ASP A 109 16.393 1.140 -7.153 1.00 2.37 O ATOM 0 H ASP A 109 15.420 -0.932 -3.023 1.00 0.46 H new ATOM 0 HA ASP A 109 15.121 1.827 -3.573 1.00 0.50 H new ATOM 0 HB2 ASP A 109 17.101 0.485 -4.201 1.00 0.64 H new ATOM 0 HB3 ASP A 109 16.126 -0.479 -5.292 1.00 0.64 H new ATOM 1494 N GLU A 110 13.190 -0.233 -5.262 1.00 0.38 N ATOM 1495 CA GLU A 110 12.010 -0.300 -6.115 1.00 0.38 C ATOM 1496 C GLU A 110 10.792 0.252 -5.385 1.00 0.36 C ATOM 1497 O GLU A 110 10.021 1.028 -5.949 1.00 0.42 O ATOM 1498 CB GLU A 110 11.751 -1.742 -6.570 1.00 0.43 C ATOM 1499 CG GLU A 110 12.868 -2.314 -7.432 1.00 0.68 C ATOM 1500 CD GLU A 110 12.571 -3.709 -7.946 1.00 1.32 C ATOM 1501 OE1 GLU A 110 13.061 -4.687 -7.347 1.00 2.01 O ATOM 1502 OE2 GLU A 110 11.855 -3.834 -8.963 1.00 2.12 O ATOM 0 H GLU A 110 13.524 -1.139 -4.932 1.00 0.38 H new ATOM 0 HA GLU A 110 12.193 0.312 -6.998 1.00 0.38 H new ATOM 0 HB2 GLU A 110 11.620 -2.374 -5.692 1.00 0.43 H new ATOM 0 HB3 GLU A 110 10.816 -1.776 -7.130 1.00 0.43 H new ATOM 0 HG2 GLU A 110 13.040 -1.651 -8.280 1.00 0.68 H new ATOM 0 HG3 GLU A 110 13.791 -2.336 -6.852 1.00 0.68 H new ATOM 1509 N ALA A 111 10.641 -0.133 -4.119 1.00 0.33 N ATOM 1510 CA ALA A 111 9.525 0.330 -3.298 1.00 0.35 C ATOM 1511 C ALA A 111 9.497 1.851 -3.229 1.00 0.34 C ATOM 1512 O ALA A 111 8.458 2.475 -3.450 1.00 0.41 O ATOM 1513 CB ALA A 111 9.614 -0.258 -1.894 1.00 0.38 C ATOM 0 H ALA A 111 11.280 -0.767 -3.639 1.00 0.33 H new ATOM 0 HA ALA A 111 8.600 -0.011 -3.763 1.00 0.35 H new ATOM 0 HB1 ALA A 111 8.775 0.098 -1.297 1.00 0.38 H new ATOM 0 HB2 ALA A 111 9.582 -1.346 -1.953 1.00 0.38 H new ATOM 0 HB3 ALA A 111 10.549 0.053 -1.428 1.00 0.38 H new ATOM 1519 N LYS A 112 10.655 2.438 -2.948 1.00 0.32 N ATOM 1520 CA LYS A 112 10.781 3.888 -2.836 1.00 0.34 C ATOM 1521 C LYS A 112 10.358 4.584 -4.124 1.00 0.37 C ATOM 1522 O LYS A 112 9.702 5.625 -4.091 1.00 0.42 O ATOM 1523 CB LYS A 112 12.221 4.283 -2.510 1.00 0.40 C ATOM 1524 CG LYS A 112 12.679 3.894 -1.114 1.00 0.48 C ATOM 1525 CD LYS A 112 14.164 4.177 -0.921 1.00 0.62 C ATOM 1526 CE LYS A 112 14.492 5.644 -1.149 1.00 1.11 C ATOM 1527 NZ LYS A 112 15.947 5.917 -1.031 1.00 1.51 N ATOM 0 H LYS A 112 11.525 1.929 -2.793 1.00 0.32 H new ATOM 0 HA LYS A 112 10.122 4.205 -2.028 1.00 0.34 H new ATOM 0 HB2 LYS A 112 12.886 3.820 -3.239 1.00 0.40 H new ATOM 0 HB3 LYS A 112 12.324 5.362 -2.625 1.00 0.40 H new ATOM 0 HG2 LYS A 112 12.102 4.446 -0.372 1.00 0.48 H new ATOM 0 HG3 LYS A 112 12.483 2.835 -0.946 1.00 0.48 H new ATOM 0 HD2 LYS A 112 14.461 3.890 0.088 1.00 0.62 H new ATOM 0 HD3 LYS A 112 14.744 3.563 -1.610 1.00 0.62 H new ATOM 0 HE2 LYS A 112 14.147 5.942 -2.139 1.00 1.11 H new ATOM 0 HE3 LYS A 112 13.950 6.253 -0.426 1.00 1.11 H new ATOM 0 HZ1 LYS A 112 16.125 6.929 -1.194 1.00 1.51 H new ATOM 0 HZ2 LYS A 112 16.273 5.657 -0.078 1.00 1.51 H new ATOM 0 HZ3 LYS A 112 16.464 5.357 -1.738 1.00 1.51 H new ATOM 1541 N ARG A 113 10.723 3.999 -5.259 1.00 0.38 N ATOM 1542 CA ARG A 113 10.474 4.631 -6.544 1.00 0.46 C ATOM 1543 C ARG A 113 8.984 4.672 -6.861 1.00 0.43 C ATOM 1544 O ARG A 113 8.509 5.613 -7.498 1.00 0.50 O ATOM 1545 CB ARG A 113 11.244 3.921 -7.668 1.00 0.57 C ATOM 1546 CG ARG A 113 11.057 4.575 -9.025 1.00 0.77 C ATOM 1547 CD ARG A 113 11.892 3.899 -10.094 1.00 1.01 C ATOM 1548 NE ARG A 113 11.785 4.587 -11.377 1.00 1.68 N ATOM 1549 CZ ARG A 113 12.714 4.538 -12.326 1.00 2.13 C ATOM 1550 NH1 ARG A 113 13.807 3.807 -12.156 1.00 1.97 N ATOM 1551 NH2 ARG A 113 12.549 5.220 -13.450 1.00 2.96 N ATOM 0 H ARG A 113 11.189 3.094 -5.313 1.00 0.38 H new ATOM 0 HA ARG A 113 10.834 5.658 -6.478 1.00 0.46 H new ATOM 0 HB2 ARG A 113 12.306 3.908 -7.421 1.00 0.57 H new ATOM 0 HB3 ARG A 113 10.917 2.883 -7.724 1.00 0.57 H new ATOM 0 HG2 ARG A 113 10.005 4.535 -9.306 1.00 0.77 H new ATOM 0 HG3 ARG A 113 11.330 5.628 -8.962 1.00 0.77 H new ATOM 0 HD2 ARG A 113 12.935 3.875 -9.780 1.00 1.01 H new ATOM 0 HD3 ARG A 113 11.569 2.864 -10.208 1.00 1.01 H new ATOM 0 HE ARG A 113 10.946 5.139 -11.556 1.00 1.68 H new ATOM 0 HH11 ARG A 113 13.938 3.279 -11.293 1.00 1.97 H new ATOM 0 HH12 ARG A 113 14.517 3.773 -12.888 1.00 1.97 H new ATOM 0 HH21 ARG A 113 11.709 5.782 -13.587 1.00 2.96 H new ATOM 0 HH22 ARG A 113 13.262 5.183 -14.179 1.00 2.96 H new ATOM 1565 N TRP A 114 8.236 3.681 -6.391 1.00 0.39 N ATOM 1566 CA TRP A 114 6.815 3.618 -6.690 1.00 0.39 C ATOM 1567 C TRP A 114 6.045 4.565 -5.783 1.00 0.40 C ATOM 1568 O TRP A 114 5.079 5.197 -6.205 1.00 0.46 O ATOM 1569 CB TRP A 114 6.287 2.187 -6.551 1.00 0.38 C ATOM 1570 CG TRP A 114 7.000 1.184 -7.415 1.00 0.38 C ATOM 1571 CD1 TRP A 114 7.306 -0.103 -7.075 1.00 0.34 C ATOM 1572 CD2 TRP A 114 7.507 1.377 -8.748 1.00 0.66 C ATOM 1573 NE1 TRP A 114 7.965 -0.722 -8.109 1.00 0.40 N ATOM 1574 CE2 TRP A 114 8.104 0.163 -9.143 1.00 0.63 C ATOM 1575 CE3 TRP A 114 7.518 2.450 -9.649 1.00 1.00 C ATOM 1576 CZ2 TRP A 114 8.700 -0.004 -10.389 1.00 0.92 C ATOM 1577 CZ3 TRP A 114 8.111 2.280 -10.884 1.00 1.29 C ATOM 1578 CH2 TRP A 114 8.695 1.062 -11.244 1.00 1.25 C ATOM 0 H TRP A 114 8.586 2.920 -5.809 1.00 0.39 H new ATOM 0 HA TRP A 114 6.668 3.929 -7.724 1.00 0.39 H new ATOM 0 HB2 TRP A 114 6.372 1.879 -5.509 1.00 0.38 H new ATOM 0 HB3 TRP A 114 5.226 2.177 -6.800 1.00 0.38 H new ATOM 0 HD1 TRP A 114 7.065 -0.567 -6.130 1.00 0.34 H new ATOM 0 HE1 TRP A 114 8.297 -1.686 -8.106 1.00 0.40 H new ATOM 0 HE3 TRP A 114 7.070 3.395 -9.381 1.00 1.00 H new ATOM 0 HZ2 TRP A 114 9.151 -0.944 -10.671 1.00 0.92 H new ATOM 0 HZ3 TRP A 114 8.124 3.102 -11.584 1.00 1.29 H new ATOM 0 HH2 TRP A 114 9.151 0.961 -12.218 1.00 1.25 H new ATOM 1589 N ILE A 115 6.499 4.685 -4.543 1.00 0.38 N ATOM 1590 CA ILE A 115 5.884 5.602 -3.594 1.00 0.41 C ATOM 1591 C ILE A 115 6.047 7.046 -4.073 1.00 0.47 C ATOM 1592 O ILE A 115 5.181 7.896 -3.846 1.00 0.55 O ATOM 1593 CB ILE A 115 6.494 5.445 -2.181 1.00 0.40 C ATOM 1594 CG1 ILE A 115 6.397 3.988 -1.716 1.00 0.40 C ATOM 1595 CG2 ILE A 115 5.791 6.361 -1.187 1.00 0.45 C ATOM 1596 CD1 ILE A 115 7.033 3.733 -0.367 1.00 0.44 C ATOM 0 H ILE A 115 7.290 4.159 -4.171 1.00 0.38 H new ATOM 0 HA ILE A 115 4.823 5.358 -3.535 1.00 0.41 H new ATOM 0 HB ILE A 115 7.545 5.729 -2.230 1.00 0.40 H new ATOM 0 HG12 ILE A 115 5.347 3.700 -1.672 1.00 0.40 H new ATOM 0 HG13 ILE A 115 6.873 3.347 -2.458 1.00 0.40 H new ATOM 0 HG21 ILE A 115 6.235 6.235 -0.199 1.00 0.45 H new ATOM 0 HG22 ILE A 115 5.902 7.397 -1.506 1.00 0.45 H new ATOM 0 HG23 ILE A 115 4.732 6.107 -1.144 1.00 0.45 H new ATOM 0 HD11 ILE A 115 6.924 2.680 -0.107 1.00 0.44 H new ATOM 0 HD12 ILE A 115 8.092 3.988 -0.410 1.00 0.44 H new ATOM 0 HD13 ILE A 115 6.542 4.346 0.389 1.00 0.44 H new ATOM 1608 N LYS A 116 7.147 7.310 -4.770 1.00 0.50 N ATOM 1609 CA LYS A 116 7.426 8.634 -5.287 1.00 0.60 C ATOM 1610 C LYS A 116 6.661 8.862 -6.582 1.00 0.57 C ATOM 1611 O LYS A 116 6.084 9.925 -6.803 1.00 0.69 O ATOM 1612 CB LYS A 116 8.925 8.798 -5.530 1.00 0.73 C ATOM 1613 CG LYS A 116 9.278 10.094 -6.228 1.00 1.18 C ATOM 1614 CD LYS A 116 10.748 10.156 -6.580 1.00 1.85 C ATOM 1615 CE LYS A 116 10.963 11.042 -7.786 1.00 2.50 C ATOM 1616 NZ LYS A 116 12.396 11.148 -8.153 1.00 3.13 N ATOM 0 H LYS A 116 7.861 6.615 -4.988 1.00 0.50 H new ATOM 0 HA LYS A 116 7.105 9.372 -4.552 1.00 0.60 H new ATOM 0 HB2 LYS A 116 9.448 8.753 -4.575 1.00 0.73 H new ATOM 0 HB3 LYS A 116 9.283 7.961 -6.129 1.00 0.73 H new ATOM 0 HG2 LYS A 116 8.682 10.193 -7.135 1.00 1.18 H new ATOM 0 HG3 LYS A 116 9.022 10.936 -5.585 1.00 1.18 H new ATOM 0 HD2 LYS A 116 11.316 10.540 -5.733 1.00 1.85 H new ATOM 0 HD3 LYS A 116 11.122 9.153 -6.786 1.00 1.85 H new ATOM 0 HE2 LYS A 116 10.401 10.645 -8.632 1.00 2.50 H new ATOM 0 HE3 LYS A 116 10.568 12.037 -7.580 1.00 2.50 H new ATOM 0 HZ1 LYS A 116 12.497 11.765 -8.984 1.00 3.13 H new ATOM 0 HZ2 LYS A 116 12.929 11.551 -7.356 1.00 3.13 H new ATOM 0 HZ3 LYS A 116 12.768 10.203 -8.376 1.00 3.13 H new ATOM 1630 N GLU A 117 6.637 7.832 -7.415 1.00 0.53 N ATOM 1631 CA GLU A 117 6.033 7.909 -8.735 1.00 0.58 C ATOM 1632 C GLU A 117 4.553 8.284 -8.647 1.00 0.57 C ATOM 1633 O GLU A 117 4.010 8.941 -9.534 1.00 0.66 O ATOM 1634 CB GLU A 117 6.210 6.566 -9.449 1.00 0.70 C ATOM 1635 CG GLU A 117 5.492 6.477 -10.772 1.00 1.28 C ATOM 1636 CD GLU A 117 6.087 7.391 -11.824 1.00 1.51 C ATOM 1637 OE1 GLU A 117 6.959 6.931 -12.592 1.00 2.14 O ATOM 1638 OE2 GLU A 117 5.693 8.577 -11.890 1.00 1.93 O ATOM 0 H GLU A 117 7.036 6.920 -7.194 1.00 0.53 H new ATOM 0 HA GLU A 117 6.532 8.692 -9.306 1.00 0.58 H new ATOM 0 HB2 GLU A 117 7.273 6.390 -9.611 1.00 0.70 H new ATOM 0 HB3 GLU A 117 5.851 5.769 -8.798 1.00 0.70 H new ATOM 0 HG2 GLU A 117 5.525 5.448 -11.130 1.00 1.28 H new ATOM 0 HG3 GLU A 117 4.442 6.731 -10.628 1.00 1.28 H new ATOM 1645 N PHE A 118 3.906 7.877 -7.570 1.00 0.56 N ATOM 1646 CA PHE A 118 2.493 8.162 -7.391 1.00 0.66 C ATOM 1647 C PHE A 118 2.273 9.520 -6.730 1.00 0.73 C ATOM 1648 O PHE A 118 1.307 10.215 -7.042 1.00 0.88 O ATOM 1649 CB PHE A 118 1.827 7.052 -6.572 1.00 0.73 C ATOM 1650 CG PHE A 118 1.556 5.803 -7.364 1.00 0.69 C ATOM 1651 CD1 PHE A 118 2.597 5.015 -7.829 1.00 1.33 C ATOM 1652 CD2 PHE A 118 0.255 5.419 -7.646 1.00 1.27 C ATOM 1653 CE1 PHE A 118 2.347 3.871 -8.559 1.00 1.57 C ATOM 1654 CE2 PHE A 118 -0.001 4.274 -8.375 1.00 1.56 C ATOM 1655 CZ PHE A 118 1.049 3.500 -8.834 1.00 1.41 C ATOM 0 H PHE A 118 4.334 7.350 -6.809 1.00 0.56 H new ATOM 0 HA PHE A 118 2.033 8.198 -8.378 1.00 0.66 H new ATOM 0 HB2 PHE A 118 2.466 6.804 -5.724 1.00 0.73 H new ATOM 0 HB3 PHE A 118 0.887 7.426 -6.165 1.00 0.73 H new ATOM 0 HD1 PHE A 118 3.617 5.300 -7.617 1.00 1.33 H new ATOM 0 HD2 PHE A 118 -0.568 6.022 -7.292 1.00 1.27 H new ATOM 0 HE1 PHE A 118 3.168 3.267 -8.915 1.00 1.57 H new ATOM 0 HE2 PHE A 118 -1.020 3.984 -8.586 1.00 1.56 H new ATOM 0 HZ PHE A 118 0.852 2.606 -9.407 1.00 1.41 H new ATOM 1665 N SER A 119 3.183 9.915 -5.847 1.00 0.69 N ATOM 1666 CA SER A 119 3.006 11.136 -5.070 1.00 0.80 C ATOM 1667 C SER A 119 3.407 12.383 -5.856 1.00 0.79 C ATOM 1668 O SER A 119 3.013 13.497 -5.506 1.00 0.90 O ATOM 1669 CB SER A 119 3.806 11.054 -3.770 1.00 0.93 C ATOM 1670 OG SER A 119 5.129 10.606 -4.009 1.00 1.20 O ATOM 0 H SER A 119 4.047 9.410 -5.652 1.00 0.69 H new ATOM 0 HA SER A 119 1.944 11.223 -4.839 1.00 0.80 H new ATOM 0 HB2 SER A 119 3.832 12.034 -3.294 1.00 0.93 H new ATOM 0 HB3 SER A 119 3.309 10.375 -3.077 1.00 0.93 H new ATOM 0 HG SER A 119 5.183 9.642 -3.842 1.00 1.20 H new ATOM 1676 N GLU A 120 4.184 12.199 -6.913 1.00 0.81 N ATOM 1677 CA GLU A 120 4.654 13.324 -7.712 1.00 0.96 C ATOM 1678 C GLU A 120 3.532 13.946 -8.537 1.00 1.17 C ATOM 1679 O GLU A 120 3.645 15.085 -8.989 1.00 1.50 O ATOM 1680 CB GLU A 120 5.808 12.895 -8.615 1.00 1.08 C ATOM 1681 CG GLU A 120 7.101 12.659 -7.856 1.00 1.41 C ATOM 1682 CD GLU A 120 7.551 13.887 -7.092 1.00 2.00 C ATOM 1683 OE1 GLU A 120 7.213 14.009 -5.895 1.00 2.45 O ATOM 1684 OE2 GLU A 120 8.231 14.744 -7.692 1.00 2.77 O ATOM 0 H GLU A 120 4.502 11.286 -7.238 1.00 0.81 H new ATOM 0 HA GLU A 120 5.012 14.087 -7.021 1.00 0.96 H new ATOM 0 HB2 GLU A 120 5.530 11.981 -9.141 1.00 1.08 H new ATOM 0 HB3 GLU A 120 5.973 13.661 -9.373 1.00 1.08 H new ATOM 0 HG2 GLU A 120 6.966 11.831 -7.161 1.00 1.41 H new ATOM 0 HG3 GLU A 120 7.882 12.363 -8.556 1.00 1.41 H new ATOM 1691 N GLU A 121 2.448 13.213 -8.721 1.00 1.22 N ATOM 1692 CA GLU A 121 1.315 13.724 -9.473 1.00 1.56 C ATOM 1693 C GLU A 121 0.094 13.884 -8.570 1.00 2.02 C ATOM 1694 O GLU A 121 -0.033 14.951 -7.935 1.00 2.60 O ATOM 1695 CB GLU A 121 1.017 12.818 -10.674 1.00 1.96 C ATOM 1696 CG GLU A 121 0.999 11.333 -10.344 1.00 2.47 C ATOM 1697 CD GLU A 121 0.818 10.474 -11.575 1.00 3.35 C ATOM 1698 OE1 GLU A 121 -0.336 10.259 -11.994 1.00 4.00 O ATOM 1699 OE2 GLU A 121 1.834 10.005 -12.133 1.00 3.84 O ATOM 1700 OXT GLU A 121 -0.723 12.949 -8.481 1.00 2.53 O ATOM 0 H GLU A 121 2.328 12.266 -8.362 1.00 1.22 H new ATOM 0 HA GLU A 121 1.567 14.712 -9.857 1.00 1.56 H new ATOM 0 HB2 GLU A 121 0.051 13.097 -11.095 1.00 1.96 H new ATOM 0 HB3 GLU A 121 1.765 12.998 -11.446 1.00 1.96 H new ATOM 0 HG2 GLU A 121 1.931 11.062 -9.848 1.00 2.47 H new ATOM 0 HG3 GLU A 121 0.192 11.129 -9.640 1.00 2.47 H new