USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 798 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 69 CYS SG : rot -138:sc= -0.822 USER MOD Set 1.2: A 78 GLN : amide:sc= -2.08! C(o=-2.9!,f=-2.5!) USER MOD Set 2.1: A 32 CYS SG : rot -146:sc= -3.52! USER MOD Set 2.2: A 35 CYS SG : rot 104:sc= 1.06 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -168:sc= -1.92! (180deg=-2.14) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00143 USER MOD Single : A 12 GLN : amide:sc=-1.82e-05 X(o=-1.8e-05,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 149:sc= 0.385 (180deg=-1.08!) USER MOD Single : A 43 HIS : no HE2:sc= -1.91! C(o=-1.9!,f=-5.8!) USER MOD Single : A 44 SER OG : rot -2:sc= 0.609! USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 175:sc= 0.126 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.01 X(o=-1,f=-0.7) USER MOD Single : A 62 CYS SG : rot 180:sc= -0.0145 USER MOD Single : A 63 GLN : amide:sc= -0.0833 K(o=-0.083,f=-2.3!) USER MOD Single : A 67 SER OG : rot 88:sc= 0.699 USER MOD Single : A 72 LYS NZ :NH3+ -161:sc= -0.007 (180deg=-0.196) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.0144 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 107:sc= 1.09 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 85 LYS NZ :NH3+ -126:sc= -0.0528 (180deg=-0.953) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -5.66! K(o=-5.7!,f=-0.62) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 75:sc= -0.212 USER MOD Single : A 102 ASN : amide:sc= -0.0622 K(o=-0.062,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.561 -0.584 8.961 1.00 0.37 N ATOM 21 CA VAL A 2 -3.236 -0.535 8.271 1.00 0.32 C ATOM 22 C VAL A 2 -2.316 -1.638 8.808 1.00 0.42 C ATOM 23 O VAL A 2 -2.389 -2.001 9.966 1.00 0.65 O ATOM 24 CB VAL A 2 -2.594 0.828 8.518 1.00 0.40 C ATOM 25 CG1 VAL A 2 -1.256 0.891 7.780 1.00 0.47 C ATOM 26 CG2 VAL A 2 -3.518 1.922 7.978 1.00 0.31 C ATOM 0 HA VAL A 2 -3.383 -0.689 7.202 1.00 0.32 H new ATOM 0 HB VAL A 2 -2.434 0.974 9.586 1.00 0.40 H new ATOM 0 HG11 VAL A 2 -0.791 1.862 7.952 1.00 0.47 H new ATOM 0 HG12 VAL A 2 -0.599 0.104 8.150 1.00 0.47 H new ATOM 0 HG13 VAL A 2 -1.423 0.752 6.712 1.00 0.47 H new ATOM 0 HG21 VAL A 2 -3.066 2.898 8.151 1.00 0.31 H new ATOM 0 HG22 VAL A 2 -3.668 1.776 6.908 1.00 0.31 H new ATOM 0 HG23 VAL A 2 -4.479 1.872 8.490 1.00 0.31 H new ATOM 36 N LYS A 3 -1.469 -2.145 7.948 1.00 0.25 N ATOM 37 CA LYS A 3 -0.531 -3.229 8.376 1.00 0.37 C ATOM 38 C LYS A 3 0.887 -2.923 7.877 1.00 0.27 C ATOM 39 O LYS A 3 1.075 -2.534 6.743 1.00 0.24 O ATOM 40 CB LYS A 3 -1.008 -4.558 7.787 1.00 0.47 C ATOM 41 CG LYS A 3 -0.075 -5.681 8.247 1.00 0.84 C ATOM 42 CD LYS A 3 -0.916 -6.835 8.801 1.00 0.65 C ATOM 43 CE LYS A 3 -0.001 -8.023 9.105 1.00 0.90 C ATOM 44 NZ LYS A 3 -0.798 -9.182 9.599 1.00 1.34 N ATOM 0 H LYS A 3 -1.386 -1.858 6.973 1.00 0.25 H new ATOM 0 HA LYS A 3 -0.515 -3.289 9.464 1.00 0.37 H new ATOM 0 HB2 LYS A 3 -2.029 -4.765 8.107 1.00 0.47 H new ATOM 0 HB3 LYS A 3 -1.020 -4.503 6.698 1.00 0.47 H new ATOM 0 HG2 LYS A 3 0.536 -6.027 7.414 1.00 0.84 H new ATOM 0 HG3 LYS A 3 0.608 -5.313 9.012 1.00 0.84 H new ATOM 0 HD2 LYS A 3 -1.436 -6.520 9.706 1.00 0.65 H new ATOM 0 HD3 LYS A 3 -1.679 -7.124 8.079 1.00 0.65 H new ATOM 0 HE2 LYS A 3 0.547 -8.307 8.206 1.00 0.90 H new ATOM 0 HE3 LYS A 3 0.739 -7.738 9.853 1.00 0.90 H new ATOM 0 HZ1 LYS A 3 -0.162 -9.980 9.801 1.00 1.34 H new ATOM 0 HZ2 LYS A 3 -1.301 -8.912 10.468 1.00 1.34 H new ATOM 0 HZ3 LYS A 3 -1.487 -9.464 8.873 1.00 1.34 H new ATOM 58 N GLN A 4 1.853 -3.105 8.736 1.00 0.25 N ATOM 59 CA GLN A 4 3.264 -2.825 8.325 1.00 0.19 C ATOM 60 C GLN A 4 3.977 -4.128 7.951 1.00 0.11 C ATOM 61 O GLN A 4 3.886 -5.112 8.658 1.00 0.12 O ATOM 62 CB GLN A 4 4.000 -2.159 9.487 1.00 0.28 C ATOM 63 CG GLN A 4 5.387 -1.718 9.014 1.00 0.27 C ATOM 64 CD GLN A 4 6.133 -1.063 10.179 1.00 0.72 C ATOM 65 OE1 GLN A 4 6.273 -1.636 11.241 1.00 1.93 O ATOM 66 NE2 GLN A 4 6.627 0.134 10.021 1.00 0.37 N ATOM 0 H GLN A 4 1.732 -3.432 9.695 1.00 0.25 H new ATOM 0 HA GLN A 4 3.260 -2.165 7.458 1.00 0.19 H new ATOM 0 HB2 GLN A 4 3.435 -1.299 9.847 1.00 0.28 H new ATOM 0 HB3 GLN A 4 4.091 -2.853 10.322 1.00 0.28 H new ATOM 0 HG2 GLN A 4 5.948 -2.576 8.644 1.00 0.27 H new ATOM 0 HG3 GLN A 4 5.295 -1.016 8.185 1.00 0.27 H new ATOM 0 HE21 GLN A 4 6.512 0.620 9.131 1.00 0.37 H new ATOM 0 HE22 GLN A 4 7.128 0.584 10.787 1.00 0.37 H new ATOM 75 N ILE A 5 4.672 -4.104 6.844 1.00 0.07 N ATOM 76 CA ILE A 5 5.405 -5.331 6.409 1.00 0.05 C ATOM 77 C ILE A 5 6.875 -5.231 6.837 1.00 0.19 C ATOM 78 O ILE A 5 7.328 -4.182 7.250 1.00 0.36 O ATOM 79 CB ILE A 5 5.321 -5.447 4.880 1.00 0.10 C ATOM 80 CG1 ILE A 5 3.868 -5.197 4.438 1.00 0.14 C ATOM 81 CG2 ILE A 5 5.780 -6.852 4.420 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.925 -6.117 5.222 1.00 0.23 C ATOM 0 H ILE A 5 4.764 -3.297 6.227 1.00 0.07 H new ATOM 0 HA ILE A 5 4.957 -6.211 6.871 1.00 0.05 H new ATOM 0 HB ILE A 5 5.977 -4.706 4.425 1.00 0.10 H new ATOM 0 HG12 ILE A 5 3.600 -4.154 4.609 1.00 0.14 H new ATOM 0 HG13 ILE A 5 3.766 -5.381 3.369 1.00 0.14 H new ATOM 0 HG21 ILE A 5 5.715 -6.919 3.334 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.811 -7.018 4.732 1.00 0.13 H new ATOM 0 HG23 ILE A 5 5.138 -7.610 4.869 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.897 -5.938 4.907 1.00 0.23 H new ATOM 0 HD12 ILE A 5 3.188 -7.157 5.029 1.00 0.23 H new ATOM 0 HD13 ILE A 5 3.019 -5.911 6.288 1.00 0.23 H new ATOM 94 N GLU A 6 7.583 -6.325 6.728 1.00 0.15 N ATOM 95 CA GLU A 6 9.013 -6.320 7.123 1.00 0.26 C ATOM 96 C GLU A 6 9.860 -7.042 6.069 1.00 0.36 C ATOM 97 O GLU A 6 10.914 -6.573 5.689 1.00 0.64 O ATOM 98 CB GLU A 6 9.142 -7.037 8.457 1.00 0.27 C ATOM 99 CG GLU A 6 10.511 -6.743 9.036 1.00 1.89 C ATOM 100 CD GLU A 6 10.396 -5.600 10.047 1.00 2.79 C ATOM 101 OE1 GLU A 6 9.562 -4.742 9.802 1.00 3.36 O ATOM 102 OE2 GLU A 6 11.149 -5.646 11.006 1.00 3.34 O ATOM 0 H GLU A 6 7.229 -7.217 6.383 1.00 0.15 H new ATOM 0 HA GLU A 6 9.368 -5.293 7.206 1.00 0.26 H new ATOM 0 HB2 GLU A 6 8.362 -6.704 9.142 1.00 0.27 H new ATOM 0 HB3 GLU A 6 9.011 -8.111 8.323 1.00 0.27 H new ATOM 0 HG2 GLU A 6 10.913 -7.633 9.520 1.00 1.89 H new ATOM 0 HG3 GLU A 6 11.205 -6.472 8.240 1.00 1.89 H new ATOM 109 N SER A 7 9.377 -8.172 5.621 1.00 0.19 N ATOM 110 CA SER A 7 10.138 -8.941 4.591 1.00 0.23 C ATOM 111 C SER A 7 9.171 -9.549 3.569 1.00 0.13 C ATOM 112 O SER A 7 8.014 -9.184 3.514 1.00 0.21 O ATOM 113 CB SER A 7 10.920 -10.059 5.280 1.00 0.36 C ATOM 114 OG SER A 7 9.951 -10.721 6.079 1.00 0.42 O ATOM 0 H SER A 7 8.497 -8.593 5.920 1.00 0.19 H new ATOM 0 HA SER A 7 10.825 -8.271 4.074 1.00 0.23 H new ATOM 0 HB2 SER A 7 11.368 -10.737 4.554 1.00 0.36 H new ATOM 0 HB3 SER A 7 11.732 -9.661 5.888 1.00 0.36 H new ATOM 0 HG SER A 7 10.375 -11.463 6.560 1.00 0.42 H new ATOM 120 N LYS A 8 9.667 -10.462 2.780 1.00 0.10 N ATOM 121 CA LYS A 8 8.788 -11.101 1.758 1.00 0.21 C ATOM 122 C LYS A 8 7.909 -12.159 2.425 1.00 0.33 C ATOM 123 O LYS A 8 6.765 -12.343 2.059 1.00 0.32 O ATOM 124 CB LYS A 8 9.667 -11.757 0.685 1.00 0.27 C ATOM 125 CG LYS A 8 8.786 -12.289 -0.457 1.00 0.30 C ATOM 126 CD LYS A 8 9.607 -13.258 -1.308 1.00 0.42 C ATOM 127 CE LYS A 8 9.300 -14.692 -0.872 1.00 1.69 C ATOM 128 NZ LYS A 8 9.252 -14.785 0.615 1.00 3.15 N ATOM 0 H LYS A 8 10.632 -10.791 2.797 1.00 0.10 H new ATOM 0 HA LYS A 8 8.148 -10.348 1.298 1.00 0.21 H new ATOM 0 HB2 LYS A 8 10.384 -11.033 0.297 1.00 0.27 H new ATOM 0 HB3 LYS A 8 10.243 -12.573 1.122 1.00 0.27 H new ATOM 0 HG2 LYS A 8 7.909 -12.794 -0.052 1.00 0.30 H new ATOM 0 HG3 LYS A 8 8.424 -11.463 -1.070 1.00 0.30 H new ATOM 0 HD2 LYS A 8 9.368 -13.127 -2.363 1.00 0.42 H new ATOM 0 HD3 LYS A 8 10.671 -13.050 -1.194 1.00 0.42 H new ATOM 0 HE2 LYS A 8 8.347 -15.011 -1.293 1.00 1.69 H new ATOM 0 HE3 LYS A 8 10.062 -15.368 -1.260 1.00 1.69 H new ATOM 0 HZ1 LYS A 8 9.247 -15.785 0.900 1.00 3.15 H new ATOM 0 HZ2 LYS A 8 10.086 -14.314 1.019 1.00 3.15 H new ATOM 0 HZ3 LYS A 8 8.389 -14.321 0.964 1.00 3.15 H new ATOM 142 N THR A 9 8.465 -12.824 3.387 1.00 0.52 N ATOM 143 CA THR A 9 7.687 -13.876 4.095 1.00 0.68 C ATOM 144 C THR A 9 6.367 -13.298 4.600 1.00 0.57 C ATOM 145 O THR A 9 5.353 -13.965 4.609 1.00 0.61 O ATOM 146 CB THR A 9 8.505 -14.397 5.279 1.00 0.87 C ATOM 147 OG1 THR A 9 9.739 -14.823 4.709 1.00 1.02 O ATOM 148 CG2 THR A 9 7.883 -15.656 5.879 1.00 0.91 C ATOM 0 H THR A 9 9.421 -12.689 3.717 1.00 0.52 H new ATOM 0 HA THR A 9 7.475 -14.693 3.406 1.00 0.68 H new ATOM 0 HB THR A 9 8.579 -13.627 6.047 1.00 0.87 H new ATOM 0 HG1 THR A 9 10.322 -15.172 5.415 1.00 1.02 H new ATOM 0 HG21 THR A 9 8.490 -15.998 6.717 1.00 0.91 H new ATOM 0 HG22 THR A 9 6.875 -15.433 6.228 1.00 0.91 H new ATOM 0 HG23 THR A 9 7.839 -16.437 5.120 1.00 0.91 H new ATOM 156 N ALA A 10 6.417 -12.070 5.006 1.00 0.49 N ATOM 157 CA ALA A 10 5.188 -11.414 5.515 1.00 0.44 C ATOM 158 C ALA A 10 4.314 -10.947 4.351 1.00 0.28 C ATOM 159 O ALA A 10 3.144 -11.254 4.292 1.00 0.23 O ATOM 160 CB ALA A 10 5.579 -10.214 6.368 1.00 0.52 C ATOM 0 H ALA A 10 7.255 -11.489 5.009 1.00 0.49 H new ATOM 0 HA ALA A 10 4.624 -12.129 6.113 1.00 0.44 H new ATOM 0 HB1 ALA A 10 4.680 -9.727 6.745 1.00 0.52 H new ATOM 0 HB2 ALA A 10 6.190 -10.547 7.207 1.00 0.52 H new ATOM 0 HB3 ALA A 10 6.147 -9.507 5.763 1.00 0.52 H new ATOM 166 N PHE A 11 4.906 -10.204 3.453 1.00 0.21 N ATOM 167 CA PHE A 11 4.128 -9.707 2.282 1.00 0.07 C ATOM 168 C PHE A 11 3.250 -10.830 1.726 1.00 0.06 C ATOM 169 O PHE A 11 2.212 -10.585 1.155 1.00 0.06 O ATOM 170 CB PHE A 11 5.105 -9.237 1.203 1.00 0.04 C ATOM 171 CG PHE A 11 4.332 -8.596 0.047 1.00 0.11 C ATOM 172 CD1 PHE A 11 3.691 -7.380 0.219 1.00 0.21 C ATOM 173 CD2 PHE A 11 4.264 -9.221 -1.187 1.00 0.17 C ATOM 174 CE1 PHE A 11 2.996 -6.801 -0.825 1.00 0.29 C ATOM 175 CE2 PHE A 11 3.568 -8.641 -2.229 1.00 0.23 C ATOM 176 CZ PHE A 11 2.936 -7.431 -2.049 1.00 0.28 C ATOM 0 H PHE A 11 5.886 -9.922 3.479 1.00 0.21 H new ATOM 0 HA PHE A 11 3.489 -8.879 2.591 1.00 0.07 H new ATOM 0 HB2 PHE A 11 5.809 -8.519 1.624 1.00 0.04 H new ATOM 0 HB3 PHE A 11 5.691 -10.080 0.837 1.00 0.04 H new ATOM 0 HD1 PHE A 11 3.735 -6.881 1.176 1.00 0.21 H new ATOM 0 HD2 PHE A 11 4.759 -10.169 -1.335 1.00 0.17 H new ATOM 0 HE1 PHE A 11 2.499 -5.853 -0.682 1.00 0.29 H new ATOM 0 HE2 PHE A 11 3.519 -9.137 -3.187 1.00 0.23 H new ATOM 0 HZ PHE A 11 2.394 -6.977 -2.865 1.00 0.28 H new ATOM 186 N GLN A 12 3.695 -12.041 1.903 1.00 0.18 N ATOM 187 CA GLN A 12 2.900 -13.200 1.392 1.00 0.23 C ATOM 188 C GLN A 12 1.709 -13.490 2.309 1.00 0.19 C ATOM 189 O GLN A 12 0.568 -13.443 1.894 1.00 0.20 O ATOM 190 CB GLN A 12 3.801 -14.432 1.318 1.00 0.36 C ATOM 191 CG GLN A 12 4.844 -14.225 0.218 1.00 0.81 C ATOM 192 CD GLN A 12 4.377 -14.926 -1.060 1.00 0.69 C ATOM 193 OE1 GLN A 12 4.782 -16.033 -1.357 1.00 1.66 O ATOM 194 NE2 GLN A 12 3.528 -14.318 -1.843 1.00 0.57 N ATOM 0 H GLN A 12 4.567 -12.282 2.375 1.00 0.18 H new ATOM 0 HA GLN A 12 2.519 -12.955 0.401 1.00 0.23 H new ATOM 0 HB2 GLN A 12 4.293 -14.596 2.277 1.00 0.36 H new ATOM 0 HB3 GLN A 12 3.206 -15.321 1.109 1.00 0.36 H new ATOM 0 HG2 GLN A 12 4.986 -13.161 0.031 1.00 0.81 H new ATOM 0 HG3 GLN A 12 5.807 -14.625 0.534 1.00 0.81 H new ATOM 0 HE21 GLN A 12 3.184 -13.389 -1.599 1.00 0.57 H new ATOM 0 HE22 GLN A 12 3.208 -14.772 -2.699 1.00 0.57 H new ATOM 203 N GLU A 13 2.010 -13.785 3.536 1.00 0.22 N ATOM 204 CA GLU A 13 0.923 -14.107 4.514 1.00 0.21 C ATOM 205 C GLU A 13 -0.061 -12.938 4.655 1.00 0.19 C ATOM 206 O GLU A 13 -1.231 -13.143 4.908 1.00 0.25 O ATOM 207 CB GLU A 13 1.553 -14.407 5.874 1.00 0.25 C ATOM 208 CG GLU A 13 2.607 -15.503 5.709 1.00 0.50 C ATOM 209 CD GLU A 13 3.238 -15.809 7.069 1.00 0.99 C ATOM 210 OE1 GLU A 13 4.208 -15.138 7.379 1.00 2.06 O ATOM 211 OE2 GLU A 13 2.714 -16.697 7.723 1.00 1.38 O ATOM 0 H GLU A 13 2.958 -13.819 3.912 1.00 0.22 H new ATOM 0 HA GLU A 13 0.371 -14.974 4.149 1.00 0.21 H new ATOM 0 HB2 GLU A 13 2.009 -13.506 6.284 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.787 -14.726 6.581 1.00 0.25 H new ATOM 0 HG2 GLU A 13 2.151 -16.403 5.297 1.00 0.50 H new ATOM 0 HG3 GLU A 13 3.374 -15.183 5.004 1.00 0.50 H new ATOM 218 N ALA A 14 0.428 -11.740 4.490 1.00 0.13 N ATOM 219 CA ALA A 14 -0.479 -10.562 4.623 1.00 0.15 C ATOM 220 C ALA A 14 -1.528 -10.584 3.514 1.00 0.18 C ATOM 221 O ALA A 14 -2.666 -10.212 3.723 1.00 0.31 O ATOM 222 CB ALA A 14 0.346 -9.279 4.526 1.00 0.20 C ATOM 0 H ALA A 14 1.401 -11.526 4.272 1.00 0.13 H new ATOM 0 HA ALA A 14 -0.984 -10.601 5.588 1.00 0.15 H new ATOM 0 HB1 ALA A 14 -0.312 -8.415 4.623 1.00 0.20 H new ATOM 0 HB2 ALA A 14 1.087 -9.262 5.325 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.852 -9.244 3.561 1.00 0.20 H new ATOM 228 N LEU A 15 -1.123 -11.020 2.355 1.00 0.13 N ATOM 229 CA LEU A 15 -2.087 -11.081 1.223 1.00 0.13 C ATOM 230 C LEU A 15 -2.995 -12.302 1.385 1.00 0.14 C ATOM 231 O LEU A 15 -3.991 -12.438 0.703 1.00 0.16 O ATOM 232 CB LEU A 15 -1.309 -11.186 -0.092 1.00 0.14 C ATOM 233 CG LEU A 15 -0.466 -9.915 -0.285 1.00 0.14 C ATOM 234 CD1 LEU A 15 0.461 -10.109 -1.483 1.00 0.30 C ATOM 235 CD2 LEU A 15 -1.372 -8.707 -0.546 1.00 0.18 C ATOM 0 H LEU A 15 -0.176 -11.334 2.144 1.00 0.13 H new ATOM 0 HA LEU A 15 -2.701 -10.180 1.214 1.00 0.13 H new ATOM 0 HB2 LEU A 15 -0.665 -12.065 -0.078 1.00 0.14 H new ATOM 0 HB3 LEU A 15 -1.998 -11.310 -0.927 1.00 0.14 H new ATOM 0 HG LEU A 15 0.115 -9.734 0.619 1.00 0.14 H new ATOM 0 HD11 LEU A 15 1.063 -9.211 -1.627 1.00 0.30 H new ATOM 0 HD12 LEU A 15 1.117 -10.960 -1.301 1.00 0.30 H new ATOM 0 HD13 LEU A 15 -0.134 -10.294 -2.377 1.00 0.30 H new ATOM 0 HD21 LEU A 15 -0.760 -7.815 -0.680 1.00 0.18 H new ATOM 0 HD22 LEU A 15 -1.961 -8.882 -1.446 1.00 0.18 H new ATOM 0 HD23 LEU A 15 -2.041 -8.563 0.303 1.00 0.18 H new ATOM 247 N ASP A 16 -2.625 -13.164 2.290 1.00 0.18 N ATOM 248 CA ASP A 16 -3.449 -14.386 2.523 1.00 0.25 C ATOM 249 C ASP A 16 -4.415 -14.153 3.686 1.00 0.30 C ATOM 250 O ASP A 16 -5.368 -14.886 3.861 1.00 0.31 O ATOM 251 CB ASP A 16 -2.526 -15.559 2.851 1.00 0.29 C ATOM 252 CG ASP A 16 -3.363 -16.830 3.017 1.00 0.71 C ATOM 253 OD1 ASP A 16 -3.720 -17.380 1.989 1.00 0.56 O ATOM 254 OD2 ASP A 16 -3.597 -17.177 4.163 1.00 1.59 O ATOM 0 H ASP A 16 -1.794 -13.078 2.875 1.00 0.18 H new ATOM 0 HA ASP A 16 -4.025 -14.609 1.625 1.00 0.25 H new ATOM 0 HB2 ASP A 16 -1.793 -15.694 2.055 1.00 0.29 H new ATOM 0 HB3 ASP A 16 -1.970 -15.354 3.766 1.00 0.29 H new ATOM 259 N ALA A 17 -4.142 -13.136 4.457 1.00 0.35 N ATOM 260 CA ALA A 17 -5.031 -12.830 5.620 1.00 0.42 C ATOM 261 C ALA A 17 -5.978 -11.676 5.272 1.00 0.42 C ATOM 262 O ALA A 17 -6.845 -11.324 6.049 1.00 0.47 O ATOM 263 CB ALA A 17 -4.167 -12.439 6.819 1.00 0.48 C ATOM 0 H ALA A 17 -3.349 -12.506 4.336 1.00 0.35 H new ATOM 0 HA ALA A 17 -5.625 -13.711 5.862 1.00 0.42 H new ATOM 0 HB1 ALA A 17 -4.808 -12.214 7.671 1.00 0.48 H new ATOM 0 HB2 ALA A 17 -3.502 -13.264 7.073 1.00 0.48 H new ATOM 0 HB3 ALA A 17 -3.574 -11.559 6.569 1.00 0.48 H new ATOM 269 N ALA A 18 -5.791 -11.110 4.109 1.00 0.36 N ATOM 270 CA ALA A 18 -6.671 -9.976 3.693 1.00 0.38 C ATOM 271 C ALA A 18 -7.987 -10.507 3.121 1.00 0.35 C ATOM 272 O ALA A 18 -8.965 -9.791 3.041 1.00 0.52 O ATOM 273 CB ALA A 18 -5.950 -9.153 2.626 1.00 0.38 C ATOM 0 H ALA A 18 -5.075 -11.379 3.434 1.00 0.36 H new ATOM 0 HA ALA A 18 -6.890 -9.355 4.562 1.00 0.38 H new ATOM 0 HB1 ALA A 18 -6.585 -8.323 2.316 1.00 0.38 H new ATOM 0 HB2 ALA A 18 -5.018 -8.764 3.035 1.00 0.38 H new ATOM 0 HB3 ALA A 18 -5.733 -9.785 1.765 1.00 0.38 H new ATOM 279 N GLY A 19 -7.985 -11.753 2.737 1.00 0.41 N ATOM 280 CA GLY A 19 -9.228 -12.340 2.167 1.00 0.35 C ATOM 281 C GLY A 19 -9.269 -12.124 0.655 1.00 0.35 C ATOM 282 O GLY A 19 -8.563 -12.777 -0.088 1.00 0.39 O ATOM 0 H GLY A 19 -7.185 -12.384 2.792 1.00 0.41 H new ATOM 0 HA2 GLY A 19 -9.271 -13.406 2.391 1.00 0.35 H new ATOM 0 HA3 GLY A 19 -10.101 -11.881 2.631 1.00 0.35 H new ATOM 286 N ASP A 20 -10.097 -11.209 0.235 1.00 0.37 N ATOM 287 CA ASP A 20 -10.204 -10.928 -1.229 1.00 0.38 C ATOM 288 C ASP A 20 -10.345 -9.423 -1.475 1.00 0.36 C ATOM 289 O ASP A 20 -9.907 -8.915 -2.488 1.00 0.39 O ATOM 290 CB ASP A 20 -11.430 -11.648 -1.786 1.00 0.55 C ATOM 291 CG ASP A 20 -10.985 -12.684 -2.818 1.00 1.35 C ATOM 292 OD1 ASP A 20 -10.618 -13.763 -2.381 1.00 1.61 O ATOM 293 OD2 ASP A 20 -11.038 -12.341 -3.987 1.00 2.54 O ATOM 0 H ASP A 20 -10.701 -10.646 0.834 1.00 0.37 H new ATOM 0 HA ASP A 20 -9.301 -11.282 -1.727 1.00 0.38 H new ATOM 0 HB2 ASP A 20 -11.978 -12.135 -0.979 1.00 0.55 H new ATOM 0 HB3 ASP A 20 -12.110 -10.930 -2.245 1.00 0.55 H new ATOM 298 N LYS A 21 -10.960 -8.742 -0.543 1.00 0.47 N ATOM 299 CA LYS A 21 -11.137 -7.268 -0.704 1.00 0.51 C ATOM 300 C LYS A 21 -9.841 -6.639 -1.221 1.00 0.39 C ATOM 301 O LYS A 21 -8.770 -7.172 -1.025 1.00 0.21 O ATOM 302 CB LYS A 21 -11.489 -6.657 0.648 1.00 0.56 C ATOM 303 CG LYS A 21 -12.849 -7.187 1.103 1.00 0.89 C ATOM 304 CD LYS A 21 -12.869 -7.279 2.632 1.00 1.03 C ATOM 305 CE LYS A 21 -14.317 -7.194 3.117 1.00 1.87 C ATOM 306 NZ LYS A 21 -14.389 -7.390 4.593 1.00 1.67 N ATOM 0 H LYS A 21 -11.344 -9.138 0.315 1.00 0.47 H new ATOM 0 HA LYS A 21 -11.937 -7.077 -1.419 1.00 0.51 H new ATOM 0 HB2 LYS A 21 -10.724 -6.907 1.383 1.00 0.56 H new ATOM 0 HB3 LYS A 21 -11.516 -5.570 0.573 1.00 0.56 H new ATOM 0 HG2 LYS A 21 -13.644 -6.527 0.756 1.00 0.89 H new ATOM 0 HG3 LYS A 21 -13.035 -8.168 0.665 1.00 0.89 H new ATOM 0 HD2 LYS A 21 -12.417 -8.215 2.959 1.00 1.03 H new ATOM 0 HD3 LYS A 21 -12.279 -6.472 3.066 1.00 1.03 H new ATOM 0 HE2 LYS A 21 -14.738 -6.224 2.853 1.00 1.87 H new ATOM 0 HE3 LYS A 21 -14.919 -7.951 2.615 1.00 1.87 H new ATOM 0 HZ1 LYS A 21 -15.380 -7.329 4.903 1.00 1.67 H new ATOM 0 HZ2 LYS A 21 -14.006 -8.326 4.838 1.00 1.67 H new ATOM 0 HZ3 LYS A 21 -13.831 -6.652 5.069 1.00 1.67 H new ATOM 320 N LEU A 22 -9.968 -5.519 -1.871 1.00 0.58 N ATOM 321 CA LEU A 22 -8.749 -4.850 -2.408 1.00 0.61 C ATOM 322 C LEU A 22 -7.657 -4.780 -1.338 1.00 0.46 C ATOM 323 O LEU A 22 -7.905 -4.381 -0.217 1.00 0.47 O ATOM 324 CB LEU A 22 -9.074 -3.421 -2.864 1.00 0.88 C ATOM 325 CG LEU A 22 -10.584 -3.176 -2.834 1.00 1.11 C ATOM 326 CD1 LEU A 22 -10.849 -1.721 -3.220 1.00 1.76 C ATOM 327 CD2 LEU A 22 -11.263 -4.099 -3.850 1.00 2.07 C ATOM 0 H LEU A 22 -10.850 -5.041 -2.053 1.00 0.58 H new ATOM 0 HA LEU A 22 -8.397 -5.437 -3.256 1.00 0.61 H new ATOM 0 HB2 LEU A 22 -8.571 -2.703 -2.216 1.00 0.88 H new ATOM 0 HB3 LEU A 22 -8.694 -3.260 -3.873 1.00 0.88 H new ATOM 0 HG LEU A 22 -10.978 -3.377 -1.838 1.00 1.11 H new ATOM 0 HD11 LEU A 22 -11.922 -1.530 -3.203 1.00 1.76 H new ATOM 0 HD12 LEU A 22 -10.352 -1.060 -2.510 1.00 1.76 H new ATOM 0 HD13 LEU A 22 -10.463 -1.534 -4.222 1.00 1.76 H new ATOM 0 HD21 LEU A 22 -12.340 -3.929 -3.833 1.00 2.07 H new ATOM 0 HD22 LEU A 22 -10.878 -3.888 -4.848 1.00 2.07 H new ATOM 0 HD23 LEU A 22 -11.056 -5.138 -3.593 1.00 2.07 H new ATOM 339 N VAL A 23 -6.476 -5.175 -1.718 1.00 0.51 N ATOM 340 CA VAL A 23 -5.325 -5.124 -0.771 1.00 0.48 C ATOM 341 C VAL A 23 -4.327 -4.090 -1.302 1.00 0.51 C ATOM 342 O VAL A 23 -3.444 -4.407 -2.076 1.00 0.67 O ATOM 343 CB VAL A 23 -4.673 -6.517 -0.702 1.00 0.48 C ATOM 344 CG1 VAL A 23 -4.043 -6.729 0.675 1.00 0.51 C ATOM 345 CG2 VAL A 23 -5.743 -7.588 -0.928 1.00 0.55 C ATOM 0 H VAL A 23 -6.255 -5.533 -2.647 1.00 0.51 H new ATOM 0 HA VAL A 23 -5.649 -4.842 0.231 1.00 0.48 H new ATOM 0 HB VAL A 23 -3.903 -6.589 -1.470 1.00 0.48 H new ATOM 0 HG11 VAL A 23 -3.584 -7.717 0.717 1.00 0.51 H new ATOM 0 HG12 VAL A 23 -3.283 -5.967 0.848 1.00 0.51 H new ATOM 0 HG13 VAL A 23 -4.813 -6.654 1.443 1.00 0.51 H new ATOM 0 HG21 VAL A 23 -5.285 -8.576 -0.880 1.00 0.55 H new ATOM 0 HG22 VAL A 23 -6.509 -7.505 -0.157 1.00 0.55 H new ATOM 0 HG23 VAL A 23 -6.198 -7.447 -1.908 1.00 0.55 H new ATOM 355 N VAL A 24 -4.491 -2.869 -0.875 1.00 0.39 N ATOM 356 CA VAL A 24 -3.591 -1.792 -1.380 1.00 0.40 C ATOM 357 C VAL A 24 -2.294 -1.741 -0.571 1.00 0.49 C ATOM 358 O VAL A 24 -2.280 -2.049 0.605 1.00 0.84 O ATOM 359 CB VAL A 24 -4.319 -0.454 -1.273 1.00 0.46 C ATOM 360 CG1 VAL A 24 -3.415 0.656 -1.804 1.00 0.48 C ATOM 361 CG2 VAL A 24 -5.596 -0.507 -2.113 1.00 0.40 C ATOM 0 H VAL A 24 -5.201 -2.571 -0.206 1.00 0.39 H new ATOM 0 HA VAL A 24 -3.334 -2.000 -2.419 1.00 0.40 H new ATOM 0 HB VAL A 24 -4.571 -0.256 -0.231 1.00 0.46 H new ATOM 0 HG11 VAL A 24 -3.932 1.613 -1.729 1.00 0.48 H new ATOM 0 HG12 VAL A 24 -2.498 0.691 -1.215 1.00 0.48 H new ATOM 0 HG13 VAL A 24 -3.169 0.457 -2.847 1.00 0.48 H new ATOM 0 HG21 VAL A 24 -6.119 0.446 -2.040 1.00 0.40 H new ATOM 0 HG22 VAL A 24 -5.339 -0.701 -3.154 1.00 0.40 H new ATOM 0 HG23 VAL A 24 -6.241 -1.304 -1.744 1.00 0.40 H new ATOM 371 N VAL A 25 -1.227 -1.348 -1.230 1.00 0.24 N ATOM 372 CA VAL A 25 0.091 -1.260 -0.527 1.00 0.28 C ATOM 373 C VAL A 25 0.702 0.126 -0.726 1.00 0.32 C ATOM 374 O VAL A 25 0.738 0.637 -1.828 1.00 0.55 O ATOM 375 CB VAL A 25 1.052 -2.303 -1.102 1.00 0.26 C ATOM 376 CG1 VAL A 25 2.356 -2.271 -0.304 1.00 0.31 C ATOM 377 CG2 VAL A 25 0.440 -3.700 -0.998 1.00 0.24 C ATOM 0 H VAL A 25 -1.213 -1.087 -2.216 1.00 0.24 H new ATOM 0 HA VAL A 25 -0.069 -1.442 0.536 1.00 0.28 H new ATOM 0 HB VAL A 25 1.243 -2.074 -2.150 1.00 0.26 H new ATOM 0 HG11 VAL A 25 3.047 -3.011 -0.707 1.00 0.31 H new ATOM 0 HG12 VAL A 25 2.803 -1.280 -0.377 1.00 0.31 H new ATOM 0 HG13 VAL A 25 2.148 -2.499 0.741 1.00 0.31 H new ATOM 0 HG21 VAL A 25 1.134 -4.433 -1.410 1.00 0.24 H new ATOM 0 HG22 VAL A 25 0.244 -3.935 0.048 1.00 0.24 H new ATOM 0 HG23 VAL A 25 -0.495 -3.730 -1.558 1.00 0.24 H new ATOM 387 N ASP A 26 1.173 0.702 0.348 1.00 0.17 N ATOM 388 CA ASP A 26 1.802 2.051 0.239 1.00 0.17 C ATOM 389 C ASP A 26 3.327 1.920 0.242 1.00 0.12 C ATOM 390 O ASP A 26 3.948 1.902 1.286 1.00 0.17 O ATOM 391 CB ASP A 26 1.373 2.901 1.430 1.00 0.24 C ATOM 392 CG ASP A 26 2.048 4.273 1.345 1.00 0.21 C ATOM 393 OD1 ASP A 26 1.880 4.896 0.310 1.00 1.00 O ATOM 394 OD2 ASP A 26 2.694 4.620 2.319 1.00 1.37 O ATOM 0 H ASP A 26 1.150 0.303 1.286 1.00 0.17 H new ATOM 0 HA ASP A 26 1.483 2.521 -0.691 1.00 0.17 H new ATOM 0 HB2 ASP A 26 0.289 3.016 1.437 1.00 0.24 H new ATOM 0 HB3 ASP A 26 1.647 2.406 2.362 1.00 0.24 H new ATOM 399 N PHE A 27 3.897 1.824 -0.925 1.00 0.04 N ATOM 400 CA PHE A 27 5.381 1.701 -1.003 1.00 0.04 C ATOM 401 C PHE A 27 6.026 3.083 -0.866 1.00 0.06 C ATOM 402 O PHE A 27 6.112 3.827 -1.822 1.00 0.09 O ATOM 403 CB PHE A 27 5.761 1.099 -2.351 1.00 0.05 C ATOM 404 CG PHE A 27 5.450 -0.398 -2.355 1.00 0.05 C ATOM 405 CD1 PHE A 27 6.326 -1.297 -1.773 1.00 0.05 C ATOM 406 CD2 PHE A 27 4.289 -0.875 -2.942 1.00 0.07 C ATOM 407 CE1 PHE A 27 6.051 -2.646 -1.781 1.00 0.06 C ATOM 408 CE2 PHE A 27 4.021 -2.228 -2.947 1.00 0.09 C ATOM 409 CZ PHE A 27 4.902 -3.111 -2.367 1.00 0.08 C ATOM 0 H PHE A 27 3.408 1.825 -1.820 1.00 0.04 H new ATOM 0 HA PHE A 27 5.734 1.059 -0.196 1.00 0.04 H new ATOM 0 HB2 PHE A 27 5.211 1.596 -3.150 1.00 0.05 H new ATOM 0 HB3 PHE A 27 6.821 1.260 -2.546 1.00 0.05 H new ATOM 0 HD1 PHE A 27 7.233 -0.938 -1.309 1.00 0.05 H new ATOM 0 HD2 PHE A 27 3.593 -0.186 -3.397 1.00 0.07 H new ATOM 0 HE1 PHE A 27 6.742 -3.339 -1.325 1.00 0.06 H new ATOM 0 HE2 PHE A 27 3.116 -2.596 -3.408 1.00 0.09 H new ATOM 0 HZ PHE A 27 4.689 -4.170 -2.373 1.00 0.08 H new ATOM 419 N SER A 28 6.467 3.398 0.322 1.00 0.11 N ATOM 420 CA SER A 28 7.102 4.733 0.532 1.00 0.15 C ATOM 421 C SER A 28 8.201 4.641 1.594 1.00 0.19 C ATOM 422 O SER A 28 8.481 3.578 2.112 1.00 0.17 O ATOM 423 CB SER A 28 6.035 5.723 0.994 1.00 0.14 C ATOM 424 OG SER A 28 5.958 5.521 2.398 1.00 0.74 O ATOM 0 H SER A 28 6.417 2.799 1.146 1.00 0.11 H new ATOM 0 HA SER A 28 7.547 5.068 -0.405 1.00 0.15 H new ATOM 0 HB2 SER A 28 6.313 6.749 0.754 1.00 0.14 H new ATOM 0 HB3 SER A 28 5.077 5.531 0.511 1.00 0.14 H new ATOM 0 HG SER A 28 5.288 6.126 2.779 1.00 0.74 H new ATOM 430 N ALA A 29 8.800 5.763 1.894 1.00 0.27 N ATOM 431 CA ALA A 29 9.885 5.767 2.920 1.00 0.32 C ATOM 432 C ALA A 29 9.329 6.217 4.276 1.00 0.29 C ATOM 433 O ALA A 29 8.542 7.140 4.351 1.00 0.22 O ATOM 434 CB ALA A 29 10.986 6.727 2.477 1.00 0.35 C ATOM 0 H ALA A 29 8.588 6.670 1.478 1.00 0.27 H new ATOM 0 HA ALA A 29 10.288 4.759 3.022 1.00 0.32 H new ATOM 0 HB1 ALA A 29 11.782 6.736 3.221 1.00 0.35 H new ATOM 0 HB2 ALA A 29 11.389 6.401 1.518 1.00 0.35 H new ATOM 0 HB3 ALA A 29 10.574 7.731 2.375 1.00 0.35 H new ATOM 440 N THR A 30 9.750 5.554 5.319 1.00 0.40 N ATOM 441 CA THR A 30 9.257 5.931 6.678 1.00 0.39 C ATOM 442 C THR A 30 10.230 6.912 7.337 1.00 0.41 C ATOM 443 O THR A 30 9.854 7.692 8.192 1.00 0.32 O ATOM 444 CB THR A 30 9.142 4.670 7.538 1.00 0.45 C ATOM 445 OG1 THR A 30 8.337 5.060 8.647 1.00 0.36 O ATOM 446 CG2 THR A 30 10.489 4.276 8.137 1.00 0.51 C ATOM 0 H THR A 30 10.408 4.775 5.292 1.00 0.40 H new ATOM 0 HA THR A 30 8.281 6.408 6.587 1.00 0.39 H new ATOM 0 HB THR A 30 8.756 3.845 6.939 1.00 0.45 H new ATOM 0 HG1 THR A 30 8.216 4.296 9.248 1.00 0.36 H new ATOM 0 HG21 THR A 30 10.369 3.377 8.741 1.00 0.51 H new ATOM 0 HG22 THR A 30 11.201 4.082 7.335 1.00 0.51 H new ATOM 0 HG23 THR A 30 10.860 5.087 8.763 1.00 0.51 H new ATOM 454 N TRP A 31 11.460 6.848 6.922 1.00 0.55 N ATOM 455 CA TRP A 31 12.489 7.761 7.499 1.00 0.59 C ATOM 456 C TRP A 31 12.307 9.178 6.944 1.00 0.53 C ATOM 457 O TRP A 31 12.330 10.146 7.679 1.00 0.51 O ATOM 458 CB TRP A 31 13.863 7.241 7.098 1.00 0.73 C ATOM 459 CG TRP A 31 13.870 7.033 5.584 1.00 0.70 C ATOM 460 CD1 TRP A 31 13.467 5.916 4.988 1.00 0.66 C ATOM 461 CD2 TRP A 31 14.230 7.942 4.690 1.00 0.73 C ATOM 462 NE1 TRP A 31 13.597 6.188 3.683 1.00 0.66 N ATOM 463 CE2 TRP A 31 14.071 7.447 3.409 1.00 0.72 C ATOM 464 CE3 TRP A 31 14.697 9.238 4.865 1.00 0.80 C ATOM 465 CZ2 TRP A 31 14.373 8.228 2.320 1.00 0.79 C ATOM 466 CZ3 TRP A 31 14.998 10.018 3.767 1.00 0.88 C ATOM 467 CH2 TRP A 31 14.836 9.513 2.496 1.00 0.88 C ATOM 0 H TRP A 31 11.801 6.204 6.208 1.00 0.55 H new ATOM 0 HA TRP A 31 12.389 7.792 8.584 1.00 0.59 H new ATOM 0 HB2 TRP A 31 14.638 7.951 7.388 1.00 0.73 H new ATOM 0 HB3 TRP A 31 14.080 6.304 7.612 1.00 0.73 H new ATOM 0 HD1 TRP A 31 13.117 5.004 5.448 1.00 0.66 H new ATOM 0 HE1 TRP A 31 13.363 5.515 2.953 1.00 0.66 H new ATOM 0 HE3 TRP A 31 14.825 9.636 5.861 1.00 0.80 H new ATOM 0 HZ2 TRP A 31 14.247 7.833 1.323 1.00 0.79 H new ATOM 0 HZ3 TRP A 31 15.361 11.026 3.905 1.00 0.88 H new ATOM 0 HH2 TRP A 31 15.072 10.124 1.638 1.00 0.88 H new ATOM 478 N CYS A 32 12.127 9.262 5.652 1.00 0.54 N ATOM 479 CA CYS A 32 11.951 10.601 5.018 1.00 0.53 C ATOM 480 C CYS A 32 10.902 11.422 5.780 1.00 0.42 C ATOM 481 O CYS A 32 10.235 10.915 6.662 1.00 0.40 O ATOM 482 CB CYS A 32 11.497 10.415 3.576 1.00 0.57 C ATOM 483 SG CYS A 32 10.657 11.812 2.790 1.00 0.99 S ATOM 0 H CYS A 32 12.094 8.468 5.013 1.00 0.54 H new ATOM 0 HA CYS A 32 12.901 11.134 5.046 1.00 0.53 H new ATOM 0 HB2 CYS A 32 12.372 10.165 2.976 1.00 0.57 H new ATOM 0 HB3 CYS A 32 10.829 9.555 3.540 1.00 0.57 H new ATOM 0 HG CYS A 32 9.751 11.368 1.970 1.00 0.99 H new ATOM 489 N GLY A 33 10.778 12.674 5.415 1.00 0.49 N ATOM 490 CA GLY A 33 9.780 13.550 6.102 1.00 0.39 C ATOM 491 C GLY A 33 8.522 13.729 5.234 1.00 0.38 C ATOM 492 O GLY A 33 7.473 13.198 5.538 1.00 0.28 O ATOM 0 H GLY A 33 11.320 13.124 4.677 1.00 0.49 H new ATOM 0 HA2 GLY A 33 9.506 13.113 7.062 1.00 0.39 H new ATOM 0 HA3 GLY A 33 10.225 14.523 6.310 1.00 0.39 H new ATOM 496 N PRO A 34 8.661 14.482 4.160 1.00 0.54 N ATOM 497 CA PRO A 34 7.542 14.741 3.240 1.00 0.62 C ATOM 498 C PRO A 34 6.842 13.438 2.831 1.00 0.55 C ATOM 499 O PRO A 34 5.631 13.386 2.747 1.00 0.75 O ATOM 500 CB PRO A 34 8.179 15.417 2.019 1.00 0.80 C ATOM 501 CG PRO A 34 9.661 15.731 2.387 1.00 0.82 C ATOM 502 CD PRO A 34 9.931 15.120 3.777 1.00 0.69 C ATOM 0 HA PRO A 34 6.777 15.363 3.705 1.00 0.62 H new ATOM 0 HB2 PRO A 34 8.129 14.764 1.148 1.00 0.80 H new ATOM 0 HB3 PRO A 34 7.644 16.332 1.763 1.00 0.80 H new ATOM 0 HG2 PRO A 34 10.338 15.309 1.644 1.00 0.82 H new ATOM 0 HG3 PRO A 34 9.833 16.807 2.401 1.00 0.82 H new ATOM 0 HD2 PRO A 34 10.743 14.394 3.739 1.00 0.69 H new ATOM 0 HD3 PRO A 34 10.222 15.886 4.496 1.00 0.69 H new ATOM 510 N CYS A 35 7.612 12.414 2.587 1.00 0.50 N ATOM 511 CA CYS A 35 6.987 11.121 2.183 1.00 0.43 C ATOM 512 C CYS A 35 6.022 10.640 3.268 1.00 0.29 C ATOM 513 O CYS A 35 4.914 10.238 2.979 1.00 0.34 O ATOM 514 CB CYS A 35 8.073 10.073 1.972 1.00 0.49 C ATOM 515 SG CYS A 35 9.209 10.317 0.583 1.00 0.75 S ATOM 0 H CYS A 35 8.630 12.413 2.648 1.00 0.50 H new ATOM 0 HA CYS A 35 6.435 11.270 1.255 1.00 0.43 H new ATOM 0 HB2 CYS A 35 8.665 10.014 2.885 1.00 0.49 H new ATOM 0 HB3 CYS A 35 7.587 9.106 1.844 1.00 0.49 H new ATOM 0 HG CYS A 35 10.356 10.737 1.029 1.00 0.75 H new ATOM 521 N LYS A 36 6.463 10.688 4.498 1.00 0.18 N ATOM 522 CA LYS A 36 5.574 10.232 5.600 1.00 0.17 C ATOM 523 C LYS A 36 4.494 11.284 5.878 1.00 0.28 C ATOM 524 O LYS A 36 3.458 10.981 6.425 1.00 0.62 O ATOM 525 CB LYS A 36 6.407 10.003 6.868 1.00 0.17 C ATOM 526 CG LYS A 36 5.586 9.182 7.882 1.00 0.42 C ATOM 527 CD LYS A 36 5.389 9.979 9.174 1.00 1.00 C ATOM 528 CE LYS A 36 6.727 10.100 9.909 1.00 0.82 C ATOM 529 NZ LYS A 36 6.866 11.452 10.518 1.00 2.10 N ATOM 0 H LYS A 36 7.386 11.018 4.782 1.00 0.18 H new ATOM 0 HA LYS A 36 5.092 9.300 5.305 1.00 0.17 H new ATOM 0 HB2 LYS A 36 7.329 9.477 6.620 1.00 0.17 H new ATOM 0 HB3 LYS A 36 6.693 10.959 7.305 1.00 0.17 H new ATOM 0 HG2 LYS A 36 4.617 8.926 7.453 1.00 0.42 H new ATOM 0 HG3 LYS A 36 6.097 8.244 8.099 1.00 0.42 H new ATOM 0 HD2 LYS A 36 4.996 10.970 8.946 1.00 1.00 H new ATOM 0 HD3 LYS A 36 4.656 9.484 9.811 1.00 1.00 H new ATOM 0 HE2 LYS A 36 6.793 9.337 10.684 1.00 0.82 H new ATOM 0 HE3 LYS A 36 7.548 9.921 9.215 1.00 0.82 H new ATOM 0 HZ1 LYS A 36 7.778 11.518 11.013 1.00 2.10 H new ATOM 0 HZ2 LYS A 36 6.824 12.175 9.772 1.00 2.10 H new ATOM 0 HZ3 LYS A 36 6.093 11.609 11.196 1.00 2.10 H new ATOM 543 N MET A 37 4.762 12.503 5.505 1.00 0.21 N ATOM 544 CA MET A 37 3.747 13.570 5.740 1.00 0.37 C ATOM 545 C MET A 37 2.442 13.198 5.026 1.00 0.35 C ATOM 546 O MET A 37 1.419 13.821 5.220 1.00 0.31 O ATOM 547 CB MET A 37 4.279 14.894 5.194 1.00 0.48 C ATOM 548 CG MET A 37 3.516 16.056 5.837 1.00 0.78 C ATOM 549 SD MET A 37 3.421 17.605 4.905 1.00 1.11 S ATOM 550 CE MET A 37 1.616 17.718 4.832 1.00 2.64 C ATOM 0 H MET A 37 5.626 12.806 5.054 1.00 0.21 H new ATOM 0 HA MET A 37 3.553 13.670 6.808 1.00 0.37 H new ATOM 0 HB2 MET A 37 5.345 14.984 5.404 1.00 0.48 H new ATOM 0 HB3 MET A 37 4.164 14.925 4.111 1.00 0.48 H new ATOM 0 HG2 MET A 37 2.499 15.721 6.038 1.00 0.78 H new ATOM 0 HG3 MET A 37 3.978 16.270 6.801 1.00 0.78 H new ATOM 0 HE1 MET A 37 1.329 18.619 4.289 1.00 2.64 H new ATOM 0 HE2 MET A 37 1.217 16.843 4.319 1.00 2.64 H new ATOM 0 HE3 MET A 37 1.213 17.760 5.844 1.00 2.64 H new ATOM 560 N ILE A 38 2.516 12.180 4.214 1.00 0.48 N ATOM 561 CA ILE A 38 1.298 11.736 3.470 1.00 0.52 C ATOM 562 C ILE A 38 0.581 10.613 4.243 1.00 0.49 C ATOM 563 O ILE A 38 -0.572 10.335 4.006 1.00 0.62 O ATOM 564 CB ILE A 38 1.734 11.260 2.065 1.00 0.70 C ATOM 565 CG1 ILE A 38 1.309 12.311 1.036 1.00 1.06 C ATOM 566 CG2 ILE A 38 1.080 9.915 1.701 1.00 1.68 C ATOM 567 CD1 ILE A 38 1.969 13.649 1.380 1.00 0.73 C ATOM 0 H ILE A 38 3.360 11.638 4.032 1.00 0.48 H new ATOM 0 HA ILE A 38 0.594 12.562 3.369 1.00 0.52 H new ATOM 0 HB ILE A 38 2.816 11.128 2.065 1.00 0.70 H new ATOM 0 HG12 ILE A 38 1.601 11.995 0.034 1.00 1.06 H new ATOM 0 HG13 ILE A 38 0.224 12.417 1.034 1.00 1.06 H new ATOM 0 HG21 ILE A 38 1.407 9.608 0.707 1.00 1.68 H new ATOM 0 HG22 ILE A 38 1.374 9.159 2.429 1.00 1.68 H new ATOM 0 HG23 ILE A 38 -0.005 10.024 1.708 1.00 1.68 H new ATOM 0 HD11 ILE A 38 1.669 14.401 0.650 1.00 0.73 H new ATOM 0 HD12 ILE A 38 1.655 13.964 2.375 1.00 0.73 H new ATOM 0 HD13 ILE A 38 3.053 13.536 1.360 1.00 0.73 H new ATOM 579 N LYS A 39 1.270 10.004 5.170 1.00 0.68 N ATOM 580 CA LYS A 39 0.613 8.908 5.941 1.00 0.62 C ATOM 581 C LYS A 39 -0.761 9.350 6.508 1.00 0.44 C ATOM 582 O LYS A 39 -1.738 8.670 6.323 1.00 0.32 O ATOM 583 CB LYS A 39 1.517 8.432 7.089 1.00 0.74 C ATOM 584 CG LYS A 39 2.048 7.018 6.774 1.00 1.14 C ATOM 585 CD LYS A 39 2.779 6.460 7.998 1.00 1.18 C ATOM 586 CE LYS A 39 3.050 4.970 7.781 1.00 1.89 C ATOM 587 NZ LYS A 39 4.059 4.476 8.761 1.00 1.94 N ATOM 0 H LYS A 39 2.236 10.210 5.423 1.00 0.68 H new ATOM 0 HA LYS A 39 0.447 8.083 5.248 1.00 0.62 H new ATOM 0 HB2 LYS A 39 2.349 9.123 7.221 1.00 0.74 H new ATOM 0 HB3 LYS A 39 0.959 8.422 8.025 1.00 0.74 H new ATOM 0 HG2 LYS A 39 1.222 6.361 6.500 1.00 1.14 H new ATOM 0 HG3 LYS A 39 2.724 7.054 5.919 1.00 1.14 H new ATOM 0 HD2 LYS A 39 3.716 6.994 8.152 1.00 1.18 H new ATOM 0 HD3 LYS A 39 2.177 6.606 8.895 1.00 1.18 H new ATOM 0 HE2 LYS A 39 2.123 4.406 7.888 1.00 1.89 H new ATOM 0 HE3 LYS A 39 3.409 4.803 6.765 1.00 1.89 H new ATOM 0 HZ1 LYS A 39 3.870 3.477 8.980 1.00 1.94 H new ATOM 0 HZ2 LYS A 39 5.012 4.568 8.354 1.00 1.94 H new ATOM 0 HZ3 LYS A 39 4.000 5.038 9.634 1.00 1.94 H new ATOM 601 N PRO A 40 -0.822 10.484 7.195 1.00 0.47 N ATOM 602 CA PRO A 40 -2.097 10.944 7.766 1.00 0.33 C ATOM 603 C PRO A 40 -3.233 10.923 6.722 1.00 0.30 C ATOM 604 O PRO A 40 -4.377 11.165 7.055 1.00 0.26 O ATOM 605 CB PRO A 40 -1.822 12.362 8.270 1.00 0.35 C ATOM 606 CG PRO A 40 -0.277 12.563 8.245 1.00 0.59 C ATOM 607 CD PRO A 40 0.326 11.379 7.460 1.00 0.70 C ATOM 0 HA PRO A 40 -2.436 10.289 8.568 1.00 0.33 H new ATOM 0 HB2 PRO A 40 -2.317 13.099 7.637 1.00 0.35 H new ATOM 0 HB3 PRO A 40 -2.212 12.495 9.279 1.00 0.35 H new ATOM 0 HG2 PRO A 40 -0.020 13.510 7.770 1.00 0.59 H new ATOM 0 HG3 PRO A 40 0.123 12.596 9.258 1.00 0.59 H new ATOM 0 HD2 PRO A 40 0.790 11.714 6.532 1.00 0.70 H new ATOM 0 HD3 PRO A 40 1.099 10.872 8.038 1.00 0.70 H new ATOM 615 N PHE A 41 -2.895 10.633 5.484 1.00 0.32 N ATOM 616 CA PHE A 41 -3.955 10.572 4.420 1.00 0.30 C ATOM 617 C PHE A 41 -4.251 9.107 4.058 1.00 0.29 C ATOM 618 O PHE A 41 -5.393 8.699 4.011 1.00 0.29 O ATOM 619 CB PHE A 41 -3.478 11.330 3.178 1.00 0.27 C ATOM 620 CG PHE A 41 -3.473 12.830 3.478 1.00 0.30 C ATOM 621 CD1 PHE A 41 -2.430 13.401 4.187 1.00 0.37 C ATOM 622 CD2 PHE A 41 -4.512 13.636 3.046 1.00 0.27 C ATOM 623 CE1 PHE A 41 -2.429 14.755 4.458 1.00 0.41 C ATOM 624 CE2 PHE A 41 -4.507 14.989 3.318 1.00 0.32 C ATOM 625 CZ PHE A 41 -3.467 15.547 4.023 1.00 0.38 C ATOM 0 H PHE A 41 -1.945 10.438 5.167 1.00 0.32 H new ATOM 0 HA PHE A 41 -4.868 11.034 4.795 1.00 0.30 H new ATOM 0 HB2 PHE A 41 -2.478 10.999 2.897 1.00 0.27 H new ATOM 0 HB3 PHE A 41 -4.133 11.118 2.333 1.00 0.27 H new ATOM 0 HD1 PHE A 41 -1.613 12.784 4.530 1.00 0.37 H new ATOM 0 HD2 PHE A 41 -5.332 13.203 2.492 1.00 0.27 H new ATOM 0 HE1 PHE A 41 -1.612 15.193 5.012 1.00 0.41 H new ATOM 0 HE2 PHE A 41 -5.322 15.611 2.976 1.00 0.32 H new ATOM 0 HZ PHE A 41 -3.465 16.606 4.235 1.00 0.38 H new ATOM 635 N PHE A 42 -3.210 8.350 3.806 1.00 0.28 N ATOM 636 CA PHE A 42 -3.407 6.901 3.466 1.00 0.28 C ATOM 637 C PHE A 42 -3.604 6.105 4.758 1.00 0.28 C ATOM 638 O PHE A 42 -4.365 5.160 4.816 1.00 0.28 O ATOM 639 CB PHE A 42 -2.158 6.390 2.739 1.00 0.28 C ATOM 640 CG PHE A 42 -2.276 4.880 2.497 1.00 0.28 C ATOM 641 CD1 PHE A 42 -3.097 4.396 1.497 1.00 0.29 C ATOM 642 CD2 PHE A 42 -1.562 3.978 3.275 1.00 0.29 C ATOM 643 CE1 PHE A 42 -3.204 3.041 1.273 1.00 0.29 C ATOM 644 CE2 PHE A 42 -1.675 2.622 3.050 1.00 0.29 C ATOM 645 CZ PHE A 42 -2.494 2.154 2.049 1.00 0.29 C ATOM 0 H PHE A 42 -2.241 8.667 3.820 1.00 0.28 H new ATOM 0 HA PHE A 42 -4.282 6.781 2.827 1.00 0.28 H new ATOM 0 HB2 PHE A 42 -2.041 6.911 1.789 1.00 0.28 H new ATOM 0 HB3 PHE A 42 -1.269 6.604 3.332 1.00 0.28 H new ATOM 0 HD1 PHE A 42 -3.660 5.086 0.886 1.00 0.29 H new ATOM 0 HD2 PHE A 42 -0.915 4.340 4.060 1.00 0.29 H new ATOM 0 HE1 PHE A 42 -3.847 2.674 0.486 1.00 0.29 H new ATOM 0 HE2 PHE A 42 -1.119 1.926 3.661 1.00 0.29 H new ATOM 0 HZ PHE A 42 -2.580 1.092 1.872 1.00 0.29 H new ATOM 655 N HIS A 43 -2.896 6.525 5.758 1.00 0.35 N ATOM 656 CA HIS A 43 -2.979 5.861 7.088 1.00 0.32 C ATOM 657 C HIS A 43 -4.339 6.146 7.740 1.00 0.35 C ATOM 658 O HIS A 43 -4.865 5.328 8.469 1.00 0.54 O ATOM 659 CB HIS A 43 -1.861 6.431 7.965 1.00 0.22 C ATOM 660 CG HIS A 43 -1.647 5.540 9.185 1.00 0.17 C ATOM 661 ND1 HIS A 43 -2.416 4.620 9.547 1.00 0.26 N ATOM 662 CD2 HIS A 43 -0.616 5.545 10.108 1.00 0.13 C ATOM 663 CE1 HIS A 43 -1.986 4.044 10.593 1.00 0.22 C ATOM 664 NE2 HIS A 43 -0.838 4.568 11.026 1.00 0.17 N ATOM 0 H HIS A 43 -2.251 7.314 5.714 1.00 0.35 H new ATOM 0 HA HIS A 43 -2.871 4.782 6.976 1.00 0.32 H new ATOM 0 HB2 HIS A 43 -0.938 6.502 7.390 1.00 0.22 H new ATOM 0 HB3 HIS A 43 -2.117 7.442 8.283 1.00 0.22 H new ATOM 0 HD1 HIS A 43 -3.277 4.366 9.063 1.00 0.26 H new ATOM 0 HD2 HIS A 43 0.229 6.217 10.100 1.00 0.13 H new ATOM 0 HE1 HIS A 43 -2.492 3.222 11.078 1.00 0.22 H new ATOM 672 N SER A 44 -4.878 7.304 7.460 1.00 0.31 N ATOM 673 CA SER A 44 -6.200 7.664 8.059 1.00 0.31 C ATOM 674 C SER A 44 -7.315 6.811 7.451 1.00 0.30 C ATOM 675 O SER A 44 -8.426 6.794 7.944 1.00 0.25 O ATOM 676 CB SER A 44 -6.484 9.142 7.790 1.00 0.32 C ATOM 677 OG SER A 44 -7.820 9.324 8.236 1.00 1.33 O ATOM 0 H SER A 44 -4.466 8.010 6.849 1.00 0.31 H new ATOM 0 HA SER A 44 -6.166 7.478 9.133 1.00 0.31 H new ATOM 0 HB2 SER A 44 -5.791 9.786 8.332 1.00 0.32 H new ATOM 0 HB3 SER A 44 -6.381 9.382 6.732 1.00 0.32 H new ATOM 0 HG SER A 44 -8.179 8.468 8.551 1.00 1.33 H new ATOM 683 N LEU A 45 -6.998 6.122 6.393 1.00 0.34 N ATOM 684 CA LEU A 45 -8.032 5.262 5.743 1.00 0.34 C ATOM 685 C LEU A 45 -8.277 4.011 6.589 1.00 0.30 C ATOM 686 O LEU A 45 -9.187 3.249 6.327 1.00 0.30 O ATOM 687 CB LEU A 45 -7.542 4.853 4.355 1.00 0.40 C ATOM 688 CG LEU A 45 -7.028 6.090 3.618 1.00 0.52 C ATOM 689 CD1 LEU A 45 -6.602 5.694 2.202 1.00 0.49 C ATOM 690 CD2 LEU A 45 -8.147 7.135 3.539 1.00 0.52 C ATOM 0 H LEU A 45 -6.079 6.114 5.951 1.00 0.34 H new ATOM 0 HA LEU A 45 -8.965 5.819 5.656 1.00 0.34 H new ATOM 0 HB2 LEU A 45 -6.749 4.110 4.441 1.00 0.40 H new ATOM 0 HB3 LEU A 45 -8.353 4.390 3.792 1.00 0.40 H new ATOM 0 HG LEU A 45 -6.175 6.508 4.153 1.00 0.52 H new ATOM 0 HD11 LEU A 45 -6.235 6.574 1.673 1.00 0.49 H new ATOM 0 HD12 LEU A 45 -5.811 4.946 2.256 1.00 0.49 H new ATOM 0 HD13 LEU A 45 -7.457 5.280 1.667 1.00 0.49 H new ATOM 0 HD21 LEU A 45 -7.783 8.018 3.014 1.00 0.52 H new ATOM 0 HD22 LEU A 45 -8.998 6.717 3.001 1.00 0.52 H new ATOM 0 HD23 LEU A 45 -8.457 7.413 4.546 1.00 0.52 H new ATOM 702 N SER A 46 -7.457 3.827 7.585 1.00 0.29 N ATOM 703 CA SER A 46 -7.623 2.633 8.462 1.00 0.26 C ATOM 704 C SER A 46 -9.054 2.572 9.011 1.00 0.25 C ATOM 705 O SER A 46 -9.642 1.512 9.097 1.00 0.34 O ATOM 706 CB SER A 46 -6.640 2.729 9.628 1.00 0.29 C ATOM 707 OG SER A 46 -7.416 2.379 10.766 1.00 1.07 O ATOM 0 H SER A 46 -6.684 4.446 7.830 1.00 0.29 H new ATOM 0 HA SER A 46 -7.428 1.732 7.880 1.00 0.26 H new ATOM 0 HB2 SER A 46 -5.798 2.050 9.496 1.00 0.29 H new ATOM 0 HB3 SER A 46 -6.228 3.734 9.720 1.00 0.29 H new ATOM 0 HG SER A 46 -6.854 2.414 11.568 1.00 1.07 H new ATOM 713 N GLU A 47 -9.580 3.715 9.368 1.00 0.26 N ATOM 714 CA GLU A 47 -10.968 3.747 9.920 1.00 0.30 C ATOM 715 C GLU A 47 -11.966 4.180 8.840 1.00 0.20 C ATOM 716 O GLU A 47 -13.057 3.653 8.756 1.00 0.35 O ATOM 717 CB GLU A 47 -11.017 4.737 11.084 1.00 0.44 C ATOM 718 CG GLU A 47 -10.343 4.110 12.307 1.00 0.78 C ATOM 719 CD GLU A 47 -11.417 3.621 13.282 1.00 1.77 C ATOM 720 OE1 GLU A 47 -11.995 2.590 12.980 1.00 3.00 O ATOM 721 OE2 GLU A 47 -11.597 4.306 14.276 1.00 1.72 O ATOM 0 H GLU A 47 -9.114 4.620 9.302 1.00 0.26 H new ATOM 0 HA GLU A 47 -11.238 2.748 10.264 1.00 0.30 H new ATOM 0 HB2 GLU A 47 -10.512 5.663 10.811 1.00 0.44 H new ATOM 0 HB3 GLU A 47 -12.051 4.994 11.315 1.00 0.44 H new ATOM 0 HG2 GLU A 47 -9.708 3.279 12.000 1.00 0.78 H new ATOM 0 HG3 GLU A 47 -9.698 4.840 12.795 1.00 0.78 H new ATOM 728 N LYS A 48 -11.573 5.130 8.039 1.00 0.23 N ATOM 729 CA LYS A 48 -12.495 5.607 6.966 1.00 0.42 C ATOM 730 C LYS A 48 -13.017 4.417 6.150 1.00 0.41 C ATOM 731 O LYS A 48 -14.209 4.204 6.058 1.00 0.65 O ATOM 732 CB LYS A 48 -11.742 6.567 6.045 1.00 0.59 C ATOM 733 CG LYS A 48 -12.700 7.670 5.581 1.00 0.81 C ATOM 734 CD LYS A 48 -11.969 8.609 4.616 1.00 2.11 C ATOM 735 CE LYS A 48 -12.994 9.283 3.701 1.00 2.24 C ATOM 736 NZ LYS A 48 -12.351 10.359 2.898 1.00 3.32 N ATOM 0 H LYS A 48 -10.665 5.593 8.077 1.00 0.23 H new ATOM 0 HA LYS A 48 -13.341 6.120 7.423 1.00 0.42 H new ATOM 0 HB2 LYS A 48 -10.892 7.003 6.570 1.00 0.59 H new ATOM 0 HB3 LYS A 48 -11.343 6.029 5.185 1.00 0.59 H new ATOM 0 HG2 LYS A 48 -13.568 7.230 5.090 1.00 0.81 H new ATOM 0 HG3 LYS A 48 -13.070 8.230 6.440 1.00 0.81 H new ATOM 0 HD2 LYS A 48 -11.411 9.361 5.174 1.00 2.11 H new ATOM 0 HD3 LYS A 48 -11.246 8.050 4.023 1.00 2.11 H new ATOM 0 HE2 LYS A 48 -13.439 8.542 3.037 1.00 2.24 H new ATOM 0 HE3 LYS A 48 -13.803 9.702 4.299 1.00 2.24 H new ATOM 0 HZ1 LYS A 48 -13.061 10.805 2.283 1.00 3.32 H new ATOM 0 HZ2 LYS A 48 -11.947 11.074 3.536 1.00 3.32 H new ATOM 0 HZ3 LYS A 48 -11.594 9.951 2.313 1.00 3.32 H new ATOM 750 N TYR A 49 -12.107 3.669 5.579 1.00 0.26 N ATOM 751 CA TYR A 49 -12.526 2.488 4.763 1.00 0.22 C ATOM 752 C TYR A 49 -12.256 1.188 5.529 1.00 0.21 C ATOM 753 O TYR A 49 -11.131 0.738 5.615 1.00 0.21 O ATOM 754 CB TYR A 49 -11.731 2.479 3.458 1.00 0.24 C ATOM 755 CG TYR A 49 -12.270 3.569 2.530 1.00 0.44 C ATOM 756 CD1 TYR A 49 -13.384 3.338 1.749 1.00 0.63 C ATOM 757 CD2 TYR A 49 -11.649 4.800 2.462 1.00 0.54 C ATOM 758 CE1 TYR A 49 -13.868 4.323 0.912 1.00 0.85 C ATOM 759 CE2 TYR A 49 -12.133 5.784 1.625 1.00 0.77 C ATOM 760 CZ TYR A 49 -13.246 5.553 0.843 1.00 0.91 C ATOM 761 OH TYR A 49 -13.730 6.537 0.005 1.00 1.14 O ATOM 0 H TYR A 49 -11.101 3.822 5.641 1.00 0.26 H new ATOM 0 HA TYR A 49 -13.593 2.558 4.554 1.00 0.22 H new ATOM 0 HB2 TYR A 49 -10.674 2.649 3.662 1.00 0.24 H new ATOM 0 HB3 TYR A 49 -11.810 1.504 2.977 1.00 0.24 H new ATOM 0 HD1 TYR A 49 -13.881 2.380 1.793 1.00 0.63 H new ATOM 0 HD2 TYR A 49 -10.777 4.994 3.069 1.00 0.54 H new ATOM 0 HE1 TYR A 49 -14.741 4.130 0.306 1.00 0.85 H new ATOM 0 HE2 TYR A 49 -11.637 6.742 1.582 1.00 0.77 H new ATOM 0 HH TYR A 49 -13.224 7.365 0.146 1.00 1.14 H new ATOM 771 N SER A 50 -13.296 0.616 6.071 1.00 0.27 N ATOM 772 CA SER A 50 -13.118 -0.655 6.832 1.00 0.37 C ATOM 773 C SER A 50 -13.397 -1.858 5.926 1.00 0.45 C ATOM 774 O SER A 50 -13.240 -2.993 6.329 1.00 0.53 O ATOM 775 CB SER A 50 -14.088 -0.673 8.013 1.00 0.36 C ATOM 776 OG SER A 50 -15.366 -0.804 7.408 1.00 0.37 O ATOM 0 H SER A 50 -14.252 0.968 6.022 1.00 0.27 H new ATOM 0 HA SER A 50 -12.091 -0.715 7.193 1.00 0.37 H new ATOM 0 HB2 SER A 50 -13.879 -1.503 8.688 1.00 0.36 H new ATOM 0 HB3 SER A 50 -14.017 0.242 8.601 1.00 0.36 H new ATOM 0 HG SER A 50 -16.056 -0.826 8.103 1.00 0.37 H new ATOM 782 N ASN A 51 -13.806 -1.581 4.717 1.00 0.48 N ATOM 783 CA ASN A 51 -14.105 -2.697 3.769 1.00 0.58 C ATOM 784 C ASN A 51 -12.898 -2.962 2.864 1.00 0.55 C ATOM 785 O ASN A 51 -13.015 -3.606 1.839 1.00 0.81 O ATOM 786 CB ASN A 51 -15.311 -2.310 2.911 1.00 0.67 C ATOM 787 CG ASN A 51 -15.829 -3.548 2.178 1.00 0.78 C ATOM 788 OD1 ASN A 51 -16.530 -4.367 2.739 1.00 0.74 O ATOM 789 ND2 ASN A 51 -15.510 -3.724 0.925 1.00 1.82 N ATOM 0 H ASN A 51 -13.945 -0.641 4.346 1.00 0.48 H new ATOM 0 HA ASN A 51 -14.324 -3.602 4.335 1.00 0.58 H new ATOM 0 HB2 ASN A 51 -16.097 -1.889 3.538 1.00 0.67 H new ATOM 0 HB3 ASN A 51 -15.029 -1.540 2.193 1.00 0.67 H new ATOM 0 HD21 ASN A 51 -15.849 -4.545 0.423 1.00 1.82 H new ATOM 0 HD22 ASN A 51 -14.922 -3.041 0.448 1.00 1.82 H new ATOM 796 N VAL A 52 -11.761 -2.465 3.265 1.00 0.31 N ATOM 797 CA VAL A 52 -10.535 -2.672 2.436 1.00 0.31 C ATOM 798 C VAL A 52 -9.308 -2.822 3.339 1.00 0.26 C ATOM 799 O VAL A 52 -9.256 -2.259 4.415 1.00 0.24 O ATOM 800 CB VAL A 52 -10.341 -1.459 1.526 1.00 0.37 C ATOM 801 CG1 VAL A 52 -9.306 -1.791 0.448 1.00 0.46 C ATOM 802 CG2 VAL A 52 -11.669 -1.106 0.857 1.00 0.27 C ATOM 0 H VAL A 52 -11.625 -1.929 4.122 1.00 0.31 H new ATOM 0 HA VAL A 52 -10.652 -3.577 1.840 1.00 0.31 H new ATOM 0 HB VAL A 52 -9.994 -0.613 2.119 1.00 0.37 H new ATOM 0 HG11 VAL A 52 -9.167 -0.927 -0.201 1.00 0.46 H new ATOM 0 HG12 VAL A 52 -8.357 -2.046 0.921 1.00 0.46 H new ATOM 0 HG13 VAL A 52 -9.656 -2.637 -0.144 1.00 0.46 H new ATOM 0 HG21 VAL A 52 -11.531 -0.241 0.208 1.00 0.27 H new ATOM 0 HG22 VAL A 52 -12.014 -1.953 0.264 1.00 0.27 H new ATOM 0 HG23 VAL A 52 -12.410 -0.872 1.621 1.00 0.27 H new ATOM 812 N ILE A 53 -8.342 -3.574 2.878 1.00 0.24 N ATOM 813 CA ILE A 53 -7.109 -3.762 3.695 1.00 0.19 C ATOM 814 C ILE A 53 -6.017 -2.808 3.195 1.00 0.16 C ATOM 815 O ILE A 53 -5.963 -2.483 2.021 1.00 0.08 O ATOM 816 CB ILE A 53 -6.642 -5.214 3.575 1.00 0.19 C ATOM 817 CG1 ILE A 53 -7.747 -6.146 4.100 1.00 0.21 C ATOM 818 CG2 ILE A 53 -5.372 -5.408 4.410 1.00 0.14 C ATOM 819 CD1 ILE A 53 -8.563 -6.674 2.920 1.00 1.19 C ATOM 0 H ILE A 53 -8.353 -4.060 1.982 1.00 0.24 H new ATOM 0 HA ILE A 53 -7.318 -3.541 4.742 1.00 0.19 H new ATOM 0 HB ILE A 53 -6.431 -5.448 2.532 1.00 0.19 H new ATOM 0 HG12 ILE A 53 -7.307 -6.976 4.653 1.00 0.21 H new ATOM 0 HG13 ILE A 53 -8.394 -5.608 4.793 1.00 0.21 H new ATOM 0 HG21 ILE A 53 -5.036 -6.442 4.327 1.00 0.14 H new ATOM 0 HG22 ILE A 53 -4.591 -4.742 4.044 1.00 0.14 H new ATOM 0 HG23 ILE A 53 -5.584 -5.178 5.454 1.00 0.14 H new ATOM 0 HD11 ILE A 53 -9.348 -7.335 3.287 1.00 1.19 H new ATOM 0 HD12 ILE A 53 -9.014 -5.837 2.386 1.00 1.19 H new ATOM 0 HD13 ILE A 53 -7.910 -7.226 2.244 1.00 1.19 H new ATOM 831 N PHE A 54 -5.167 -2.388 4.097 1.00 0.27 N ATOM 832 CA PHE A 54 -4.087 -1.432 3.710 1.00 0.24 C ATOM 833 C PHE A 54 -2.733 -1.848 4.309 1.00 0.22 C ATOM 834 O PHE A 54 -2.628 -2.086 5.495 1.00 0.18 O ATOM 835 CB PHE A 54 -4.463 -0.058 4.254 1.00 0.23 C ATOM 836 CG PHE A 54 -5.791 0.394 3.644 1.00 0.25 C ATOM 837 CD1 PHE A 54 -5.825 1.002 2.406 1.00 0.30 C ATOM 838 CD2 PHE A 54 -6.976 0.197 4.331 1.00 0.22 C ATOM 839 CE1 PHE A 54 -7.026 1.411 1.861 1.00 0.32 C ATOM 840 CE2 PHE A 54 -8.177 0.605 3.783 1.00 0.23 C ATOM 841 CZ PHE A 54 -8.198 1.214 2.550 1.00 0.28 C ATOM 0 H PHE A 54 -5.174 -2.664 5.079 1.00 0.27 H new ATOM 0 HA PHE A 54 -3.990 -1.422 2.624 1.00 0.24 H new ATOM 0 HB2 PHE A 54 -4.545 -0.097 5.340 1.00 0.23 H new ATOM 0 HB3 PHE A 54 -3.680 0.663 4.019 1.00 0.23 H new ATOM 0 HD1 PHE A 54 -4.907 1.159 1.860 1.00 0.30 H new ATOM 0 HD2 PHE A 54 -6.962 -0.278 5.301 1.00 0.22 H new ATOM 0 HE1 PHE A 54 -7.044 1.887 0.891 1.00 0.32 H new ATOM 0 HE2 PHE A 54 -9.099 0.446 4.323 1.00 0.23 H new ATOM 0 HZ PHE A 54 -9.136 1.537 2.123 1.00 0.28 H new ATOM 851 N LEU A 55 -1.724 -1.932 3.465 1.00 0.31 N ATOM 852 CA LEU A 55 -0.360 -2.303 3.971 1.00 0.27 C ATOM 853 C LEU A 55 0.554 -1.075 3.947 1.00 0.20 C ATOM 854 O LEU A 55 0.191 -0.027 3.443 1.00 0.33 O ATOM 855 CB LEU A 55 0.274 -3.384 3.087 1.00 0.34 C ATOM 856 CG LEU A 55 -0.339 -4.759 3.377 1.00 0.84 C ATOM 857 CD1 LEU A 55 -1.847 -4.708 3.181 1.00 1.18 C ATOM 858 CD2 LEU A 55 0.250 -5.777 2.399 1.00 0.80 C ATOM 0 H LEU A 55 -1.786 -1.762 2.461 1.00 0.31 H new ATOM 0 HA LEU A 55 -0.472 -2.680 4.988 1.00 0.27 H new ATOM 0 HB2 LEU A 55 0.129 -3.131 2.037 1.00 0.34 H new ATOM 0 HB3 LEU A 55 1.349 -3.417 3.261 1.00 0.34 H new ATOM 0 HG LEU A 55 -0.117 -5.044 4.406 1.00 0.84 H new ATOM 0 HD11 LEU A 55 -2.274 -5.689 3.389 1.00 1.18 H new ATOM 0 HD12 LEU A 55 -2.278 -3.973 3.861 1.00 1.18 H new ATOM 0 HD13 LEU A 55 -2.071 -4.426 2.152 1.00 1.18 H new ATOM 0 HD21 LEU A 55 -0.178 -6.760 2.595 1.00 0.80 H new ATOM 0 HD22 LEU A 55 0.017 -5.477 1.377 1.00 0.80 H new ATOM 0 HD23 LEU A 55 1.332 -5.821 2.527 1.00 0.80 H new ATOM 870 N GLU A 56 1.729 -1.247 4.466 1.00 0.29 N ATOM 871 CA GLU A 56 2.705 -0.118 4.499 1.00 0.25 C ATOM 872 C GLU A 56 4.129 -0.674 4.390 1.00 0.20 C ATOM 873 O GLU A 56 4.653 -1.224 5.340 1.00 0.23 O ATOM 874 CB GLU A 56 2.555 0.635 5.815 1.00 0.40 C ATOM 875 CG GLU A 56 3.383 1.918 5.754 1.00 0.46 C ATOM 876 CD GLU A 56 4.245 2.025 7.012 1.00 1.34 C ATOM 877 OE1 GLU A 56 3.674 1.855 8.077 1.00 1.83 O ATOM 878 OE2 GLU A 56 5.428 2.270 6.839 1.00 2.01 O ATOM 0 H GLU A 56 2.063 -2.121 4.872 1.00 0.29 H new ATOM 0 HA GLU A 56 2.514 0.558 3.666 1.00 0.25 H new ATOM 0 HB2 GLU A 56 1.506 0.872 5.995 1.00 0.40 H new ATOM 0 HB3 GLU A 56 2.888 0.012 6.645 1.00 0.40 H new ATOM 0 HG2 GLU A 56 4.015 1.914 4.866 1.00 0.46 H new ATOM 0 HG3 GLU A 56 2.726 2.784 5.675 1.00 0.46 H new ATOM 885 N VAL A 57 4.726 -0.514 3.240 1.00 0.14 N ATOM 886 CA VAL A 57 6.110 -1.051 3.050 1.00 0.13 C ATOM 887 C VAL A 57 7.155 0.065 3.153 1.00 0.11 C ATOM 888 O VAL A 57 6.965 1.153 2.642 1.00 0.06 O ATOM 889 CB VAL A 57 6.201 -1.699 1.670 1.00 0.11 C ATOM 890 CG1 VAL A 57 7.622 -2.218 1.448 1.00 0.12 C ATOM 891 CG2 VAL A 57 5.219 -2.869 1.601 1.00 0.10 C ATOM 0 H VAL A 57 4.324 -0.041 2.431 1.00 0.14 H new ATOM 0 HA VAL A 57 6.312 -1.782 3.833 1.00 0.13 H new ATOM 0 HB VAL A 57 5.956 -0.966 0.901 1.00 0.11 H new ATOM 0 HG11 VAL A 57 7.691 -2.681 0.464 1.00 0.12 H new ATOM 0 HG12 VAL A 57 8.326 -1.388 1.508 1.00 0.12 H new ATOM 0 HG13 VAL A 57 7.864 -2.955 2.214 1.00 0.12 H new ATOM 0 HG21 VAL A 57 5.279 -3.337 0.618 1.00 0.10 H new ATOM 0 HG22 VAL A 57 5.472 -3.602 2.367 1.00 0.10 H new ATOM 0 HG23 VAL A 57 4.206 -2.504 1.768 1.00 0.10 H new ATOM 901 N ASP A 58 8.243 -0.237 3.816 1.00 0.18 N ATOM 902 CA ASP A 58 9.329 0.775 3.965 1.00 0.21 C ATOM 903 C ASP A 58 10.467 0.464 2.982 1.00 0.24 C ATOM 904 O ASP A 58 11.123 -0.552 3.092 1.00 0.27 O ATOM 905 CB ASP A 58 9.863 0.718 5.397 1.00 0.25 C ATOM 906 CG ASP A 58 10.791 1.911 5.644 1.00 0.28 C ATOM 907 OD1 ASP A 58 10.550 2.926 5.012 1.00 1.40 O ATOM 908 OD2 ASP A 58 11.689 1.738 6.451 1.00 1.00 O ATOM 0 H ASP A 58 8.424 -1.138 4.259 1.00 0.18 H new ATOM 0 HA ASP A 58 8.937 1.769 3.752 1.00 0.21 H new ATOM 0 HB2 ASP A 58 9.035 0.735 6.106 1.00 0.25 H new ATOM 0 HB3 ASP A 58 10.402 -0.215 5.558 1.00 0.25 H new ATOM 913 N VAL A 59 10.674 1.346 2.042 1.00 0.24 N ATOM 914 CA VAL A 59 11.761 1.111 1.043 1.00 0.28 C ATOM 915 C VAL A 59 13.139 1.335 1.679 1.00 0.37 C ATOM 916 O VAL A 59 14.047 1.821 1.033 1.00 0.61 O ATOM 917 CB VAL A 59 11.577 2.073 -0.132 1.00 0.25 C ATOM 918 CG1 VAL A 59 10.256 1.751 -0.840 1.00 0.16 C ATOM 919 CG2 VAL A 59 11.539 3.522 0.388 1.00 0.31 C ATOM 0 H VAL A 59 10.146 2.210 1.921 1.00 0.24 H new ATOM 0 HA VAL A 59 11.705 0.080 0.695 1.00 0.28 H new ATOM 0 HB VAL A 59 12.407 1.962 -0.830 1.00 0.25 H new ATOM 0 HG11 VAL A 59 10.117 2.433 -1.679 1.00 0.16 H new ATOM 0 HG12 VAL A 59 10.280 0.725 -1.206 1.00 0.16 H new ATOM 0 HG13 VAL A 59 9.430 1.866 -0.139 1.00 0.16 H new ATOM 0 HG21 VAL A 59 11.408 4.206 -0.450 1.00 0.31 H new ATOM 0 HG22 VAL A 59 10.708 3.637 1.084 1.00 0.31 H new ATOM 0 HG23 VAL A 59 12.474 3.750 0.899 1.00 0.31 H new ATOM 929 N ASP A 60 13.260 0.975 2.931 1.00 0.25 N ATOM 930 CA ASP A 60 14.569 1.153 3.635 1.00 0.30 C ATOM 931 C ASP A 60 14.966 -0.148 4.341 1.00 0.28 C ATOM 932 O ASP A 60 16.087 -0.600 4.225 1.00 0.28 O ATOM 933 CB ASP A 60 14.430 2.271 4.667 1.00 0.43 C ATOM 934 CG ASP A 60 15.821 2.710 5.127 1.00 0.60 C ATOM 935 OD1 ASP A 60 16.497 3.313 4.309 1.00 1.43 O ATOM 936 OD2 ASP A 60 16.131 2.417 6.270 1.00 0.45 O ATOM 0 H ASP A 60 12.514 0.567 3.495 1.00 0.25 H new ATOM 0 HA ASP A 60 15.340 1.411 2.909 1.00 0.30 H new ATOM 0 HB2 ASP A 60 13.894 3.116 4.235 1.00 0.43 H new ATOM 0 HB3 ASP A 60 13.845 1.924 5.519 1.00 0.43 H new ATOM 941 N ASP A 61 14.030 -0.718 5.058 1.00 0.31 N ATOM 942 CA ASP A 61 14.322 -1.994 5.780 1.00 0.35 C ATOM 943 C ASP A 61 13.625 -3.164 5.079 1.00 0.34 C ATOM 944 O ASP A 61 13.724 -4.297 5.510 1.00 0.53 O ATOM 945 CB ASP A 61 13.812 -1.884 7.215 1.00 0.50 C ATOM 946 CG ASP A 61 14.135 -3.176 7.968 1.00 0.69 C ATOM 947 OD1 ASP A 61 15.295 -3.552 7.926 1.00 1.31 O ATOM 948 OD2 ASP A 61 13.204 -3.714 8.544 1.00 0.93 O ATOM 0 H ASP A 61 13.083 -0.358 5.174 1.00 0.31 H new ATOM 0 HA ASP A 61 15.398 -2.171 5.781 1.00 0.35 H new ATOM 0 HB2 ASP A 61 14.276 -1.033 7.714 1.00 0.50 H new ATOM 0 HB3 ASP A 61 12.736 -1.707 7.218 1.00 0.50 H new ATOM 953 N CYS A 62 12.931 -2.857 4.012 1.00 0.32 N ATOM 954 CA CYS A 62 12.213 -3.931 3.255 1.00 0.28 C ATOM 955 C CYS A 62 12.495 -3.796 1.757 1.00 0.18 C ATOM 956 O CYS A 62 11.694 -4.191 0.934 1.00 0.21 O ATOM 957 CB CYS A 62 10.711 -3.799 3.501 1.00 0.32 C ATOM 958 SG CYS A 62 10.178 -3.312 5.160 1.00 0.41 S ATOM 0 H CYS A 62 12.830 -1.915 3.633 1.00 0.32 H new ATOM 0 HA CYS A 62 12.562 -4.906 3.596 1.00 0.28 H new ATOM 0 HB2 CYS A 62 10.317 -3.070 2.793 1.00 0.32 H new ATOM 0 HB3 CYS A 62 10.246 -4.756 3.265 1.00 0.32 H new ATOM 0 HG CYS A 62 8.880 -3.246 5.197 1.00 0.41 H new ATOM 964 N GLN A 63 13.633 -3.241 1.435 1.00 0.28 N ATOM 965 CA GLN A 63 13.981 -3.071 -0.002 1.00 0.20 C ATOM 966 C GLN A 63 13.779 -4.389 -0.750 1.00 0.17 C ATOM 967 O GLN A 63 13.763 -4.422 -1.965 1.00 0.10 O ATOM 968 CB GLN A 63 15.441 -2.634 -0.117 1.00 0.27 C ATOM 969 CG GLN A 63 16.293 -3.477 0.832 1.00 1.25 C ATOM 970 CD GLN A 63 17.764 -3.357 0.429 1.00 1.36 C ATOM 971 OE1 GLN A 63 18.091 -2.860 -0.631 1.00 1.36 O ATOM 972 NE2 GLN A 63 18.682 -3.799 1.244 1.00 2.15 N ATOM 0 H GLN A 63 14.329 -2.902 2.099 1.00 0.28 H new ATOM 0 HA GLN A 63 13.334 -2.313 -0.443 1.00 0.20 H new ATOM 0 HB2 GLN A 63 15.790 -2.755 -1.143 1.00 0.27 H new ATOM 0 HB3 GLN A 63 15.537 -1.577 0.130 1.00 0.27 H new ATOM 0 HG2 GLN A 63 16.156 -3.139 1.859 1.00 1.25 H new ATOM 0 HG3 GLN A 63 15.977 -4.520 0.794 1.00 1.25 H new ATOM 0 HE21 GLN A 63 18.414 -4.217 2.135 1.00 2.15 H new ATOM 0 HE22 GLN A 63 19.667 -3.726 0.990 1.00 2.15 H new ATOM 981 N ASP A 64 13.631 -5.446 -0.006 1.00 0.25 N ATOM 982 CA ASP A 64 13.424 -6.769 -0.649 1.00 0.30 C ATOM 983 C ASP A 64 12.046 -6.818 -1.298 1.00 0.29 C ATOM 984 O ASP A 64 11.900 -7.207 -2.441 1.00 0.27 O ATOM 985 CB ASP A 64 13.529 -7.866 0.412 1.00 0.41 C ATOM 986 CG ASP A 64 12.378 -7.718 1.409 1.00 0.27 C ATOM 987 OD1 ASP A 64 12.446 -6.773 2.176 1.00 0.85 O ATOM 988 OD2 ASP A 64 11.496 -8.558 1.347 1.00 1.07 O ATOM 0 H ASP A 64 13.644 -5.452 1.014 1.00 0.25 H new ATOM 0 HA ASP A 64 14.185 -6.923 -1.414 1.00 0.30 H new ATOM 0 HB2 ASP A 64 13.493 -8.848 -0.059 1.00 0.41 H new ATOM 0 HB3 ASP A 64 14.485 -7.796 0.930 1.00 0.41 H new ATOM 993 N VAL A 65 11.068 -6.417 -0.550 1.00 0.31 N ATOM 994 CA VAL A 65 9.684 -6.418 -1.083 1.00 0.32 C ATOM 995 C VAL A 65 9.549 -5.399 -2.212 1.00 0.26 C ATOM 996 O VAL A 65 8.926 -5.660 -3.221 1.00 0.33 O ATOM 997 CB VAL A 65 8.723 -6.068 0.036 1.00 0.32 C ATOM 998 CG1 VAL A 65 7.295 -6.405 -0.397 1.00 0.36 C ATOM 999 CG2 VAL A 65 9.080 -6.882 1.282 1.00 0.42 C ATOM 0 H VAL A 65 11.165 -6.087 0.410 1.00 0.31 H new ATOM 0 HA VAL A 65 9.452 -7.407 -1.477 1.00 0.32 H new ATOM 0 HB VAL A 65 8.795 -5.004 0.260 1.00 0.32 H new ATOM 0 HG11 VAL A 65 6.602 -6.154 0.406 1.00 0.36 H new ATOM 0 HG12 VAL A 65 7.040 -5.832 -1.288 1.00 0.36 H new ATOM 0 HG13 VAL A 65 7.224 -7.470 -0.618 1.00 0.36 H new ATOM 0 HG21 VAL A 65 8.391 -6.633 2.089 1.00 0.42 H new ATOM 0 HG22 VAL A 65 9.005 -7.946 1.056 1.00 0.42 H new ATOM 0 HG23 VAL A 65 10.099 -6.648 1.590 1.00 0.42 H new ATOM 1009 N ALA A 66 10.141 -4.262 -2.014 1.00 0.16 N ATOM 1010 CA ALA A 66 10.068 -3.207 -3.060 1.00 0.16 C ATOM 1011 C ALA A 66 10.636 -3.740 -4.370 1.00 0.29 C ATOM 1012 O ALA A 66 10.058 -3.563 -5.425 1.00 0.38 O ATOM 1013 CB ALA A 66 10.874 -1.990 -2.606 1.00 0.13 C ATOM 0 H ALA A 66 10.671 -4.015 -1.178 1.00 0.16 H new ATOM 0 HA ALA A 66 9.028 -2.919 -3.214 1.00 0.16 H new ATOM 0 HB1 ALA A 66 10.823 -1.214 -3.370 1.00 0.13 H new ATOM 0 HB2 ALA A 66 10.461 -1.608 -1.673 1.00 0.13 H new ATOM 0 HB3 ALA A 66 11.913 -2.279 -2.451 1.00 0.13 H new ATOM 1019 N SER A 67 11.757 -4.381 -4.270 1.00 0.31 N ATOM 1020 CA SER A 67 12.391 -4.946 -5.487 1.00 0.44 C ATOM 1021 C SER A 67 11.501 -6.041 -6.074 1.00 0.53 C ATOM 1022 O SER A 67 11.694 -6.472 -7.194 1.00 0.64 O ATOM 1023 CB SER A 67 13.751 -5.535 -5.118 1.00 0.42 C ATOM 1024 OG SER A 67 14.528 -4.406 -4.740 1.00 1.04 O ATOM 0 H SER A 67 12.264 -4.540 -3.399 1.00 0.31 H new ATOM 0 HA SER A 67 12.521 -4.157 -6.228 1.00 0.44 H new ATOM 0 HB2 SER A 67 13.666 -6.252 -4.301 1.00 0.42 H new ATOM 0 HB3 SER A 67 14.198 -6.063 -5.960 1.00 0.42 H new ATOM 0 HG SER A 67 14.404 -4.229 -3.784 1.00 1.04 H new ATOM 1030 N GLU A 68 10.543 -6.462 -5.301 1.00 0.50 N ATOM 1031 CA GLU A 68 9.625 -7.523 -5.781 1.00 0.62 C ATOM 1032 C GLU A 68 8.569 -6.916 -6.697 1.00 0.71 C ATOM 1033 O GLU A 68 8.081 -7.554 -7.609 1.00 0.89 O ATOM 1034 CB GLU A 68 8.948 -8.182 -4.581 1.00 0.62 C ATOM 1035 CG GLU A 68 8.749 -9.669 -4.870 1.00 0.84 C ATOM 1036 CD GLU A 68 8.023 -9.831 -6.207 1.00 0.65 C ATOM 1037 OE1 GLU A 68 6.814 -9.673 -6.188 1.00 1.57 O ATOM 1038 OE2 GLU A 68 8.720 -10.103 -7.171 1.00 1.45 O ATOM 0 H GLU A 68 10.357 -6.117 -4.359 1.00 0.50 H new ATOM 0 HA GLU A 68 10.191 -8.270 -6.338 1.00 0.62 H new ATOM 0 HB2 GLU A 68 9.558 -8.052 -3.687 1.00 0.62 H new ATOM 0 HB3 GLU A 68 7.988 -7.706 -4.384 1.00 0.62 H new ATOM 0 HG2 GLU A 68 9.713 -10.177 -4.902 1.00 0.84 H new ATOM 0 HG3 GLU A 68 8.171 -10.133 -4.071 1.00 0.84 H new ATOM 1045 N CYS A 69 8.244 -5.692 -6.430 1.00 0.59 N ATOM 1046 CA CYS A 69 7.229 -4.998 -7.268 1.00 0.67 C ATOM 1047 C CYS A 69 7.930 -4.215 -8.379 1.00 0.72 C ATOM 1048 O CYS A 69 7.299 -3.526 -9.157 1.00 0.77 O ATOM 1049 CB CYS A 69 6.431 -4.046 -6.384 1.00 0.60 C ATOM 1050 SG CYS A 69 5.342 -4.793 -5.147 1.00 0.72 S ATOM 0 H CYS A 69 8.634 -5.137 -5.668 1.00 0.59 H new ATOM 0 HA CYS A 69 6.557 -5.727 -7.721 1.00 0.67 H new ATOM 0 HB2 CYS A 69 7.135 -3.394 -5.866 1.00 0.60 H new ATOM 0 HB3 CYS A 69 5.825 -3.411 -7.030 1.00 0.60 H new ATOM 0 HG CYS A 69 4.212 -4.151 -5.119 1.00 0.72 H new ATOM 1056 N GLU A 70 9.230 -4.340 -8.422 1.00 0.73 N ATOM 1057 CA GLU A 70 10.011 -3.624 -9.472 1.00 0.83 C ATOM 1058 C GLU A 70 9.695 -2.126 -9.451 1.00 0.81 C ATOM 1059 O GLU A 70 9.429 -1.534 -10.479 1.00 0.95 O ATOM 1060 CB GLU A 70 9.659 -4.203 -10.844 1.00 0.99 C ATOM 1061 CG GLU A 70 10.484 -3.490 -11.921 1.00 0.85 C ATOM 1062 CD GLU A 70 11.244 -4.528 -12.748 1.00 0.51 C ATOM 1063 OE1 GLU A 70 12.340 -4.860 -12.325 1.00 1.20 O ATOM 1064 OE2 GLU A 70 10.688 -4.930 -13.757 1.00 1.27 O ATOM 0 H GLU A 70 9.783 -4.905 -7.778 1.00 0.73 H new ATOM 0 HA GLU A 70 11.075 -3.757 -9.274 1.00 0.83 H new ATOM 0 HB2 GLU A 70 9.863 -5.274 -10.863 1.00 0.99 H new ATOM 0 HB3 GLU A 70 8.595 -4.077 -11.042 1.00 0.99 H new ATOM 0 HG2 GLU A 70 9.831 -2.903 -12.566 1.00 0.85 H new ATOM 0 HG3 GLU A 70 11.184 -2.794 -11.458 1.00 0.85 H new ATOM 1071 N VAL A 71 9.730 -1.542 -8.284 1.00 0.65 N ATOM 1072 CA VAL A 71 9.447 -0.079 -8.199 1.00 0.64 C ATOM 1073 C VAL A 71 10.755 0.711 -8.271 1.00 0.63 C ATOM 1074 O VAL A 71 11.809 0.209 -7.936 1.00 0.63 O ATOM 1075 CB VAL A 71 8.743 0.237 -6.882 1.00 0.66 C ATOM 1076 CG1 VAL A 71 7.731 1.361 -7.112 1.00 0.62 C ATOM 1077 CG2 VAL A 71 8.008 -1.006 -6.387 1.00 0.75 C ATOM 0 H VAL A 71 9.938 -2.004 -7.399 1.00 0.65 H new ATOM 0 HA VAL A 71 8.805 0.203 -9.034 1.00 0.64 H new ATOM 0 HB VAL A 71 9.478 0.546 -6.139 1.00 0.66 H new ATOM 0 HG11 VAL A 71 7.224 1.592 -6.175 1.00 0.62 H new ATOM 0 HG12 VAL A 71 8.250 2.249 -7.472 1.00 0.62 H new ATOM 0 HG13 VAL A 71 6.997 1.044 -7.853 1.00 0.62 H new ATOM 0 HG21 VAL A 71 7.505 -0.781 -5.447 1.00 0.75 H new ATOM 0 HG22 VAL A 71 7.270 -1.312 -7.129 1.00 0.75 H new ATOM 0 HG23 VAL A 71 8.723 -1.814 -6.232 1.00 0.75 H new ATOM 1087 N LYS A 72 10.657 1.931 -8.709 1.00 0.65 N ATOM 1088 CA LYS A 72 11.879 2.779 -8.809 1.00 0.65 C ATOM 1089 C LYS A 72 11.522 4.232 -8.482 1.00 0.66 C ATOM 1090 O LYS A 72 12.099 5.158 -9.017 1.00 0.80 O ATOM 1091 CB LYS A 72 12.437 2.689 -10.229 1.00 0.76 C ATOM 1092 CG LYS A 72 13.276 1.415 -10.356 1.00 1.80 C ATOM 1093 CD LYS A 72 13.777 1.285 -11.796 1.00 1.94 C ATOM 1094 CE LYS A 72 14.922 0.271 -11.840 1.00 2.77 C ATOM 1095 NZ LYS A 72 16.169 0.867 -11.283 1.00 2.55 N ATOM 0 H LYS A 72 9.789 2.379 -9.002 1.00 0.65 H new ATOM 0 HA LYS A 72 12.630 2.429 -8.101 1.00 0.65 H new ATOM 0 HB2 LYS A 72 11.623 2.677 -10.953 1.00 0.76 H new ATOM 0 HB3 LYS A 72 13.047 3.565 -10.450 1.00 0.76 H new ATOM 0 HG2 LYS A 72 14.119 1.450 -9.666 1.00 1.80 H new ATOM 0 HG3 LYS A 72 12.679 0.544 -10.086 1.00 1.80 H new ATOM 0 HD2 LYS A 72 12.965 0.964 -12.449 1.00 1.94 H new ATOM 0 HD3 LYS A 72 14.118 2.253 -12.164 1.00 1.94 H new ATOM 0 HE2 LYS A 72 14.651 -0.618 -11.270 1.00 2.77 H new ATOM 0 HE3 LYS A 72 15.093 -0.049 -12.868 1.00 2.77 H new ATOM 0 HZ1 LYS A 72 16.990 0.315 -11.602 1.00 2.55 H new ATOM 0 HZ2 LYS A 72 16.262 1.849 -11.613 1.00 2.55 H new ATOM 0 HZ3 LYS A 72 16.126 0.854 -10.244 1.00 2.55 H new ATOM 1109 N CYS A 73 10.573 4.394 -7.601 1.00 0.58 N ATOM 1110 CA CYS A 73 10.149 5.773 -7.220 1.00 0.59 C ATOM 1111 C CYS A 73 9.138 5.713 -6.076 1.00 0.51 C ATOM 1112 O CYS A 73 8.343 4.798 -5.996 1.00 0.79 O ATOM 1113 CB CYS A 73 9.508 6.449 -8.429 1.00 0.81 C ATOM 1114 SG CYS A 73 8.453 5.429 -9.490 1.00 1.00 S ATOM 0 H CYS A 73 10.075 3.638 -7.131 1.00 0.58 H new ATOM 0 HA CYS A 73 11.020 6.341 -6.894 1.00 0.59 H new ATOM 0 HB2 CYS A 73 8.913 7.289 -8.070 1.00 0.81 H new ATOM 0 HB3 CYS A 73 10.305 6.864 -9.045 1.00 0.81 H new ATOM 0 HG CYS A 73 7.988 6.153 -10.465 1.00 1.00 H new ATOM 1120 N THR A 74 9.201 6.691 -5.215 1.00 0.42 N ATOM 1121 CA THR A 74 8.253 6.730 -4.065 1.00 0.30 C ATOM 1122 C THR A 74 7.667 8.152 -3.944 1.00 0.27 C ATOM 1123 O THR A 74 8.305 9.108 -4.337 1.00 0.32 O ATOM 1124 CB THR A 74 9.024 6.386 -2.784 1.00 0.35 C ATOM 1125 OG1 THR A 74 10.234 7.131 -2.880 1.00 0.42 O ATOM 1126 CG2 THR A 74 9.454 4.923 -2.767 1.00 0.37 C ATOM 0 H THR A 74 9.866 7.463 -5.257 1.00 0.42 H new ATOM 0 HA THR A 74 7.445 6.015 -4.216 1.00 0.30 H new ATOM 0 HB THR A 74 8.407 6.594 -1.910 1.00 0.35 H new ATOM 0 HG1 THR A 74 10.785 6.963 -2.088 1.00 0.42 H new ATOM 0 HG21 THR A 74 9.998 4.714 -1.846 1.00 0.37 H new ATOM 0 HG22 THR A 74 8.573 4.284 -2.821 1.00 0.37 H new ATOM 0 HG23 THR A 74 10.100 4.724 -3.622 1.00 0.37 H new ATOM 1134 N PRO A 75 6.462 8.279 -3.405 1.00 0.20 N ATOM 1135 CA PRO A 75 5.628 7.151 -2.926 1.00 0.13 C ATOM 1136 C PRO A 75 4.960 6.422 -4.108 1.00 0.11 C ATOM 1137 O PRO A 75 4.632 7.035 -5.107 1.00 0.14 O ATOM 1138 CB PRO A 75 4.548 7.807 -2.060 1.00 0.15 C ATOM 1139 CG PRO A 75 4.649 9.347 -2.290 1.00 0.21 C ATOM 1140 CD PRO A 75 5.876 9.598 -3.186 1.00 0.22 C ATOM 0 HA PRO A 75 6.221 6.413 -2.385 1.00 0.13 H new ATOM 0 HB2 PRO A 75 3.559 7.441 -2.334 1.00 0.15 H new ATOM 0 HB3 PRO A 75 4.697 7.564 -1.008 1.00 0.15 H new ATOM 0 HG2 PRO A 75 3.743 9.725 -2.765 1.00 0.21 H new ATOM 0 HG3 PRO A 75 4.753 9.871 -1.340 1.00 0.21 H new ATOM 0 HD2 PRO A 75 5.587 10.063 -4.129 1.00 0.22 H new ATOM 0 HD3 PRO A 75 6.586 10.270 -2.704 1.00 0.22 H new ATOM 1148 N THR A 76 4.777 5.128 -3.962 1.00 0.09 N ATOM 1149 CA THR A 76 4.126 4.344 -5.058 1.00 0.10 C ATOM 1150 C THR A 76 2.983 3.502 -4.483 1.00 0.06 C ATOM 1151 O THR A 76 3.190 2.684 -3.612 1.00 0.05 O ATOM 1152 CB THR A 76 5.167 3.427 -5.716 1.00 0.16 C ATOM 1153 OG1 THR A 76 5.994 4.304 -6.473 1.00 0.13 O ATOM 1154 CG2 THR A 76 4.527 2.494 -6.742 1.00 0.23 C ATOM 0 H THR A 76 5.048 4.588 -3.140 1.00 0.09 H new ATOM 0 HA THR A 76 3.723 5.029 -5.804 1.00 0.10 H new ATOM 0 HB THR A 76 5.674 2.835 -4.954 1.00 0.16 H new ATOM 0 HG1 THR A 76 6.865 4.394 -6.032 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.295 1.861 -7.186 1.00 0.23 H new ATOM 0 HG22 THR A 76 3.781 1.870 -6.250 1.00 0.23 H new ATOM 0 HG23 THR A 76 4.048 3.085 -7.522 1.00 0.23 H new ATOM 1162 N PHE A 77 1.799 3.723 -4.984 1.00 0.12 N ATOM 1163 CA PHE A 77 0.630 2.948 -4.473 1.00 0.14 C ATOM 1164 C PHE A 77 0.333 1.763 -5.393 1.00 0.17 C ATOM 1165 O PHE A 77 0.294 1.912 -6.599 1.00 0.25 O ATOM 1166 CB PHE A 77 -0.587 3.863 -4.433 1.00 0.21 C ATOM 1167 CG PHE A 77 -0.460 4.811 -3.246 1.00 0.20 C ATOM 1168 CD1 PHE A 77 -0.527 4.321 -1.959 1.00 0.25 C ATOM 1169 CD2 PHE A 77 -0.277 6.170 -3.443 1.00 0.21 C ATOM 1170 CE1 PHE A 77 -0.415 5.175 -0.881 1.00 0.29 C ATOM 1171 CE2 PHE A 77 -0.162 7.021 -2.364 1.00 0.21 C ATOM 1172 CZ PHE A 77 -0.232 6.525 -1.085 1.00 0.25 C ATOM 0 H PHE A 77 1.590 4.400 -5.718 1.00 0.12 H new ATOM 0 HA PHE A 77 0.858 2.573 -3.475 1.00 0.14 H new ATOM 0 HB2 PHE A 77 -0.662 4.430 -5.361 1.00 0.21 H new ATOM 0 HB3 PHE A 77 -1.499 3.272 -4.346 1.00 0.21 H new ATOM 0 HD1 PHE A 77 -0.668 3.263 -1.794 1.00 0.25 H new ATOM 0 HD2 PHE A 77 -0.224 6.565 -4.447 1.00 0.21 H new ATOM 0 HE1 PHE A 77 -0.471 4.784 0.124 1.00 0.29 H new ATOM 0 HE2 PHE A 77 -0.017 8.079 -2.525 1.00 0.21 H new ATOM 0 HZ PHE A 77 -0.144 7.192 -0.241 1.00 0.25 H new ATOM 1182 N GLN A 78 0.132 0.612 -4.801 1.00 0.11 N ATOM 1183 CA GLN A 78 -0.175 -0.605 -5.630 1.00 0.13 C ATOM 1184 C GLN A 78 -1.486 -1.264 -5.176 1.00 0.11 C ATOM 1185 O GLN A 78 -1.855 -1.194 -4.023 1.00 0.11 O ATOM 1186 CB GLN A 78 0.972 -1.599 -5.492 1.00 0.12 C ATOM 1187 CG GLN A 78 1.926 -1.427 -6.679 1.00 0.37 C ATOM 1188 CD GLN A 78 3.284 -2.022 -6.320 1.00 0.45 C ATOM 1189 OE1 GLN A 78 3.369 -3.064 -5.706 1.00 1.46 O ATOM 1190 NE2 GLN A 78 4.371 -1.395 -6.684 1.00 0.17 N ATOM 0 H GLN A 78 0.165 0.458 -3.793 1.00 0.11 H new ATOM 0 HA GLN A 78 -0.290 -0.303 -6.671 1.00 0.13 H new ATOM 0 HB2 GLN A 78 1.503 -1.433 -4.555 1.00 0.12 H new ATOM 0 HB3 GLN A 78 0.586 -2.618 -5.464 1.00 0.12 H new ATOM 0 HG2 GLN A 78 1.521 -1.922 -7.562 1.00 0.37 H new ATOM 0 HG3 GLN A 78 2.032 -0.371 -6.926 1.00 0.37 H new ATOM 0 HE21 GLN A 78 4.305 -0.518 -7.201 1.00 0.17 H new ATOM 0 HE22 GLN A 78 5.285 -1.783 -6.451 1.00 0.17 H new ATOM 1199 N PHE A 79 -2.152 -1.897 -6.112 1.00 0.15 N ATOM 1200 CA PHE A 79 -3.452 -2.575 -5.796 1.00 0.14 C ATOM 1201 C PHE A 79 -3.329 -4.084 -6.054 1.00 0.12 C ATOM 1202 O PHE A 79 -3.168 -4.503 -7.183 1.00 0.36 O ATOM 1203 CB PHE A 79 -4.539 -2.009 -6.715 1.00 0.23 C ATOM 1204 CG PHE A 79 -4.899 -0.574 -6.298 1.00 0.27 C ATOM 1205 CD1 PHE A 79 -3.966 0.449 -6.392 1.00 0.26 C ATOM 1206 CD2 PHE A 79 -6.167 -0.281 -5.825 1.00 0.35 C ATOM 1207 CE1 PHE A 79 -4.301 1.738 -6.022 1.00 0.30 C ATOM 1208 CE2 PHE A 79 -6.497 1.008 -5.456 1.00 0.41 C ATOM 1209 CZ PHE A 79 -5.567 2.015 -5.556 1.00 0.38 C ATOM 0 H PHE A 79 -1.852 -1.974 -7.084 1.00 0.15 H new ATOM 0 HA PHE A 79 -3.706 -2.403 -4.750 1.00 0.14 H new ATOM 0 HB2 PHE A 79 -4.192 -2.018 -7.748 1.00 0.23 H new ATOM 0 HB3 PHE A 79 -5.426 -2.641 -6.671 1.00 0.23 H new ATOM 0 HD1 PHE A 79 -2.972 0.237 -6.757 1.00 0.26 H new ATOM 0 HD2 PHE A 79 -6.904 -1.067 -5.744 1.00 0.35 H new ATOM 0 HE1 PHE A 79 -3.569 2.529 -6.098 1.00 0.30 H new ATOM 0 HE2 PHE A 79 -7.489 1.226 -5.088 1.00 0.41 H new ATOM 0 HZ PHE A 79 -5.829 3.023 -5.269 1.00 0.38 H new ATOM 1219 N PHE A 80 -3.409 -4.865 -5.003 1.00 0.14 N ATOM 1220 CA PHE A 80 -3.299 -6.355 -5.175 1.00 0.21 C ATOM 1221 C PHE A 80 -4.642 -7.022 -4.878 1.00 0.24 C ATOM 1222 O PHE A 80 -5.361 -6.610 -3.989 1.00 0.25 O ATOM 1223 CB PHE A 80 -2.245 -6.898 -4.215 1.00 0.27 C ATOM 1224 CG PHE A 80 -0.861 -6.445 -4.668 1.00 0.24 C ATOM 1225 CD1 PHE A 80 -0.210 -7.089 -5.705 1.00 0.34 C ATOM 1226 CD2 PHE A 80 -0.239 -5.382 -4.043 1.00 0.15 C ATOM 1227 CE1 PHE A 80 1.044 -6.673 -6.106 1.00 0.36 C ATOM 1228 CE2 PHE A 80 1.011 -4.970 -4.444 1.00 0.18 C ATOM 1229 CZ PHE A 80 1.653 -5.615 -5.474 1.00 0.29 C ATOM 0 H PHE A 80 -3.544 -4.544 -4.044 1.00 0.14 H new ATOM 0 HA PHE A 80 -3.013 -6.573 -6.204 1.00 0.21 H new ATOM 0 HB2 PHE A 80 -2.442 -6.543 -3.203 1.00 0.27 H new ATOM 0 HB3 PHE A 80 -2.291 -7.987 -4.186 1.00 0.27 H new ATOM 0 HD1 PHE A 80 -0.685 -7.921 -6.203 1.00 0.34 H new ATOM 0 HD2 PHE A 80 -0.738 -4.870 -3.233 1.00 0.15 H new ATOM 0 HE1 PHE A 80 1.547 -7.179 -6.917 1.00 0.36 H new ATOM 0 HE2 PHE A 80 1.489 -4.138 -3.948 1.00 0.18 H new ATOM 0 HZ PHE A 80 2.635 -5.291 -5.786 1.00 0.29 H new ATOM 1239 N LYS A 81 -4.946 -8.039 -5.637 1.00 0.30 N ATOM 1240 CA LYS A 81 -6.230 -8.770 -5.430 1.00 0.34 C ATOM 1241 C LYS A 81 -5.956 -10.269 -5.371 1.00 0.37 C ATOM 1242 O LYS A 81 -5.413 -10.832 -6.294 1.00 0.37 O ATOM 1243 CB LYS A 81 -7.171 -8.468 -6.595 1.00 0.43 C ATOM 1244 CG LYS A 81 -8.613 -8.754 -6.164 1.00 0.35 C ATOM 1245 CD LYS A 81 -9.558 -8.438 -7.325 1.00 0.89 C ATOM 1246 CE LYS A 81 -9.995 -6.973 -7.236 1.00 1.59 C ATOM 1247 NZ LYS A 81 -10.738 -6.576 -8.465 1.00 2.42 N ATOM 0 H LYS A 81 -4.361 -8.396 -6.392 1.00 0.30 H new ATOM 0 HA LYS A 81 -6.690 -8.450 -4.495 1.00 0.34 H new ATOM 0 HB2 LYS A 81 -7.070 -7.426 -6.900 1.00 0.43 H new ATOM 0 HB3 LYS A 81 -6.909 -9.080 -7.458 1.00 0.43 H new ATOM 0 HG2 LYS A 81 -8.717 -9.798 -5.869 1.00 0.35 H new ATOM 0 HG3 LYS A 81 -8.872 -8.150 -5.294 1.00 0.35 H new ATOM 0 HD2 LYS A 81 -9.059 -8.624 -8.276 1.00 0.89 H new ATOM 0 HD3 LYS A 81 -10.429 -9.092 -7.289 1.00 0.89 H new ATOM 0 HE2 LYS A 81 -10.626 -6.828 -6.359 1.00 1.59 H new ATOM 0 HE3 LYS A 81 -9.121 -6.334 -7.109 1.00 1.59 H new ATOM 0 HZ1 LYS A 81 -11.027 -5.580 -8.389 1.00 2.42 H new ATOM 0 HZ2 LYS A 81 -10.124 -6.696 -9.296 1.00 2.42 H new ATOM 0 HZ3 LYS A 81 -11.582 -7.175 -8.569 1.00 2.42 H new ATOM 1261 N LYS A 82 -6.337 -10.879 -4.284 1.00 0.43 N ATOM 1262 CA LYS A 82 -6.089 -12.342 -4.139 1.00 0.52 C ATOM 1263 C LYS A 82 -4.599 -12.641 -4.346 1.00 0.55 C ATOM 1264 O LYS A 82 -4.203 -13.786 -4.438 1.00 0.61 O ATOM 1265 CB LYS A 82 -6.925 -13.113 -5.163 1.00 0.51 C ATOM 1266 CG LYS A 82 -8.405 -13.000 -4.781 1.00 0.61 C ATOM 1267 CD LYS A 82 -9.249 -13.812 -5.767 1.00 0.47 C ATOM 1268 CE LYS A 82 -9.660 -12.914 -6.936 1.00 2.31 C ATOM 1269 NZ LYS A 82 -10.014 -13.737 -8.127 1.00 2.90 N ATOM 0 H LYS A 82 -6.806 -10.433 -3.495 1.00 0.43 H new ATOM 0 HA LYS A 82 -6.377 -12.656 -3.136 1.00 0.52 H new ATOM 0 HB2 LYS A 82 -6.762 -12.710 -6.163 1.00 0.51 H new ATOM 0 HB3 LYS A 82 -6.621 -14.159 -5.187 1.00 0.51 H new ATOM 0 HG2 LYS A 82 -8.559 -13.367 -3.766 1.00 0.61 H new ATOM 0 HG3 LYS A 82 -8.716 -11.955 -4.793 1.00 0.61 H new ATOM 0 HD2 LYS A 82 -8.681 -14.667 -6.132 1.00 0.47 H new ATOM 0 HD3 LYS A 82 -10.134 -14.207 -5.268 1.00 0.47 H new ATOM 0 HE2 LYS A 82 -10.511 -12.297 -6.647 1.00 2.31 H new ATOM 0 HE3 LYS A 82 -8.844 -12.235 -7.185 1.00 2.31 H new ATOM 0 HZ1 LYS A 82 -10.290 -13.112 -8.911 1.00 2.90 H new ATOM 0 HZ2 LYS A 82 -9.192 -14.307 -8.412 1.00 2.90 H new ATOM 0 HZ3 LYS A 82 -10.807 -14.367 -7.890 1.00 2.90 H new ATOM 1283 N GLY A 83 -3.809 -11.593 -4.421 1.00 0.54 N ATOM 1284 CA GLY A 83 -2.333 -11.782 -4.607 1.00 0.63 C ATOM 1285 C GLY A 83 -1.883 -11.310 -5.994 1.00 0.68 C ATOM 1286 O GLY A 83 -0.707 -11.123 -6.234 1.00 1.20 O ATOM 0 H GLY A 83 -4.120 -10.623 -4.362 1.00 0.54 H new ATOM 0 HA2 GLY A 83 -1.793 -11.228 -3.839 1.00 0.63 H new ATOM 0 HA3 GLY A 83 -2.080 -12.834 -4.478 1.00 0.63 H new ATOM 1290 N GLN A 84 -2.825 -11.127 -6.877 1.00 0.47 N ATOM 1291 CA GLN A 84 -2.463 -10.674 -8.254 1.00 0.43 C ATOM 1292 C GLN A 84 -2.614 -9.156 -8.390 1.00 0.30 C ATOM 1293 O GLN A 84 -3.594 -8.584 -7.960 1.00 0.22 O ATOM 1294 CB GLN A 84 -3.377 -11.366 -9.264 1.00 0.47 C ATOM 1295 CG GLN A 84 -2.543 -11.831 -10.459 1.00 1.64 C ATOM 1296 CD GLN A 84 -3.477 -12.358 -11.549 1.00 1.70 C ATOM 1297 OE1 GLN A 84 -4.318 -13.202 -11.308 1.00 0.90 O ATOM 1298 NE2 GLN A 84 -3.364 -11.889 -12.762 1.00 2.89 N ATOM 0 H GLN A 84 -3.821 -11.269 -6.710 1.00 0.47 H new ATOM 0 HA GLN A 84 -1.422 -10.935 -8.444 1.00 0.43 H new ATOM 0 HB2 GLN A 84 -3.875 -12.217 -8.799 1.00 0.47 H new ATOM 0 HB3 GLN A 84 -4.158 -10.682 -9.595 1.00 0.47 H new ATOM 0 HG2 GLN A 84 -1.945 -11.005 -10.844 1.00 1.64 H new ATOM 0 HG3 GLN A 84 -1.847 -12.612 -10.151 1.00 1.64 H new ATOM 0 HE21 GLN A 84 -2.661 -11.181 -12.971 1.00 2.89 H new ATOM 0 HE22 GLN A 84 -3.979 -12.231 -13.500 1.00 2.89 H new ATOM 1307 N LYS A 85 -1.634 -8.543 -8.994 1.00 0.32 N ATOM 1308 CA LYS A 85 -1.689 -7.068 -9.177 1.00 0.24 C ATOM 1309 C LYS A 85 -2.747 -6.708 -10.223 1.00 0.23 C ATOM 1310 O LYS A 85 -2.893 -7.390 -11.218 1.00 0.24 O ATOM 1311 CB LYS A 85 -0.320 -6.582 -9.642 1.00 0.29 C ATOM 1312 CG LYS A 85 -0.300 -5.048 -9.624 1.00 0.33 C ATOM 1313 CD LYS A 85 1.130 -4.540 -9.872 1.00 0.57 C ATOM 1314 CE LYS A 85 1.372 -4.429 -11.378 1.00 1.19 C ATOM 1315 NZ LYS A 85 0.597 -3.293 -11.949 1.00 3.09 N ATOM 0 H LYS A 85 -0.801 -8.999 -9.367 1.00 0.32 H new ATOM 0 HA LYS A 85 -1.954 -6.591 -8.234 1.00 0.24 H new ATOM 0 HB2 LYS A 85 0.460 -6.976 -8.991 1.00 0.29 H new ATOM 0 HB3 LYS A 85 -0.112 -6.949 -10.647 1.00 0.29 H new ATOM 0 HG2 LYS A 85 -0.972 -4.658 -10.389 1.00 0.33 H new ATOM 0 HG3 LYS A 85 -0.664 -4.682 -8.664 1.00 0.33 H new ATOM 0 HD2 LYS A 85 1.271 -3.569 -9.397 1.00 0.57 H new ATOM 0 HD3 LYS A 85 1.853 -5.222 -9.425 1.00 0.57 H new ATOM 0 HE2 LYS A 85 2.435 -4.285 -11.572 1.00 1.19 H new ATOM 0 HE3 LYS A 85 1.081 -5.358 -11.868 1.00 1.19 H new ATOM 0 HZ1 LYS A 85 0.013 -3.634 -12.739 1.00 3.09 H new ATOM 0 HZ2 LYS A 85 -0.017 -2.888 -11.214 1.00 3.09 H new ATOM 0 HZ3 LYS A 85 1.253 -2.563 -12.293 1.00 3.09 H new ATOM 1329 N VAL A 86 -3.465 -5.643 -9.968 1.00 0.21 N ATOM 1330 CA VAL A 86 -4.526 -5.217 -10.933 1.00 0.21 C ATOM 1331 C VAL A 86 -4.429 -3.711 -11.206 1.00 0.21 C ATOM 1332 O VAL A 86 -4.806 -3.249 -12.264 1.00 0.23 O ATOM 1333 CB VAL A 86 -5.897 -5.539 -10.340 1.00 0.17 C ATOM 1334 CG1 VAL A 86 -6.208 -7.019 -10.567 1.00 0.23 C ATOM 1335 CG2 VAL A 86 -5.875 -5.255 -8.837 1.00 0.08 C ATOM 0 H VAL A 86 -3.365 -5.054 -9.141 1.00 0.21 H new ATOM 0 HA VAL A 86 -4.389 -5.752 -11.873 1.00 0.21 H new ATOM 0 HB VAL A 86 -6.659 -4.924 -10.820 1.00 0.17 H new ATOM 0 HG11 VAL A 86 -7.185 -7.254 -10.146 1.00 0.23 H new ATOM 0 HG12 VAL A 86 -6.214 -7.230 -11.636 1.00 0.23 H new ATOM 0 HG13 VAL A 86 -5.447 -7.629 -10.081 1.00 0.23 H new ATOM 0 HG21 VAL A 86 -6.851 -5.483 -8.409 1.00 0.08 H new ATOM 0 HG22 VAL A 86 -5.116 -5.875 -8.361 1.00 0.08 H new ATOM 0 HG23 VAL A 86 -5.642 -4.204 -8.669 1.00 0.08 H new ATOM 1345 N GLY A 87 -3.929 -2.977 -10.247 1.00 0.24 N ATOM 1346 CA GLY A 87 -3.808 -1.504 -10.446 1.00 0.27 C ATOM 1347 C GLY A 87 -2.548 -0.968 -9.768 1.00 0.29 C ATOM 1348 O GLY A 87 -2.136 -1.461 -8.738 1.00 0.37 O ATOM 0 H GLY A 87 -3.603 -3.328 -9.346 1.00 0.24 H new ATOM 0 HA2 GLY A 87 -3.778 -1.278 -11.512 1.00 0.27 H new ATOM 0 HA3 GLY A 87 -4.687 -1.004 -10.039 1.00 0.27 H new ATOM 1352 N GLU A 88 -1.955 0.030 -10.363 1.00 0.20 N ATOM 1353 CA GLU A 88 -0.726 0.612 -9.753 1.00 0.21 C ATOM 1354 C GLU A 88 -0.466 2.012 -10.308 1.00 0.24 C ATOM 1355 O GLU A 88 -0.350 2.202 -11.503 1.00 0.25 O ATOM 1356 CB GLU A 88 0.467 -0.291 -10.067 1.00 0.22 C ATOM 1357 CG GLU A 88 1.764 0.456 -9.740 1.00 1.45 C ATOM 1358 CD GLU A 88 2.221 1.246 -10.971 1.00 2.14 C ATOM 1359 OE1 GLU A 88 2.594 0.588 -11.928 1.00 1.85 O ATOM 1360 OE2 GLU A 88 2.171 2.462 -10.883 1.00 3.58 O ATOM 0 H GLU A 88 -2.263 0.463 -11.234 1.00 0.20 H new ATOM 0 HA GLU A 88 -0.865 0.684 -8.674 1.00 0.21 H new ATOM 0 HB2 GLU A 88 0.406 -1.210 -9.484 1.00 0.22 H new ATOM 0 HB3 GLU A 88 0.454 -0.579 -11.118 1.00 0.22 H new ATOM 0 HG2 GLU A 88 1.606 1.131 -8.899 1.00 1.45 H new ATOM 0 HG3 GLU A 88 2.538 -0.251 -9.440 1.00 1.45 H new ATOM 1367 N PHE A 89 -0.380 2.960 -9.421 1.00 0.25 N ATOM 1368 CA PHE A 89 -0.113 4.351 -9.853 1.00 0.27 C ATOM 1369 C PHE A 89 0.732 5.067 -8.793 1.00 0.22 C ATOM 1370 O PHE A 89 0.443 4.990 -7.613 1.00 0.21 O ATOM 1371 CB PHE A 89 -1.449 5.056 -10.040 1.00 0.31 C ATOM 1372 CG PHE A 89 -1.883 5.726 -8.735 1.00 0.29 C ATOM 1373 CD1 PHE A 89 -1.374 6.961 -8.373 1.00 0.27 C ATOM 1374 CD2 PHE A 89 -2.796 5.104 -7.901 1.00 0.32 C ATOM 1375 CE1 PHE A 89 -1.772 7.562 -7.196 1.00 0.27 C ATOM 1376 CE2 PHE A 89 -3.193 5.707 -6.725 1.00 0.33 C ATOM 1377 CZ PHE A 89 -2.680 6.935 -6.375 1.00 0.31 C ATOM 0 H PHE A 89 -0.484 2.829 -8.415 1.00 0.25 H new ATOM 0 HA PHE A 89 0.440 4.361 -10.792 1.00 0.27 H new ATOM 0 HB2 PHE A 89 -1.367 5.802 -10.830 1.00 0.31 H new ATOM 0 HB3 PHE A 89 -2.205 4.338 -10.357 1.00 0.31 H new ATOM 0 HD1 PHE A 89 -0.661 7.457 -9.015 1.00 0.27 H new ATOM 0 HD2 PHE A 89 -3.200 4.140 -8.173 1.00 0.32 H new ATOM 0 HE1 PHE A 89 -1.370 8.526 -6.919 1.00 0.27 H new ATOM 0 HE2 PHE A 89 -3.906 5.215 -6.080 1.00 0.33 H new ATOM 0 HZ PHE A 89 -2.991 7.407 -5.455 1.00 0.31 H new ATOM 1387 N SER A 90 1.760 5.745 -9.240 1.00 0.20 N ATOM 1388 CA SER A 90 2.651 6.463 -8.276 1.00 0.16 C ATOM 1389 C SER A 90 2.505 7.977 -8.424 1.00 0.13 C ATOM 1390 O SER A 90 2.024 8.463 -9.429 1.00 0.22 O ATOM 1391 CB SER A 90 4.099 6.063 -8.549 1.00 0.13 C ATOM 1392 OG SER A 90 4.345 6.532 -9.867 1.00 0.23 O ATOM 0 H SER A 90 2.020 5.832 -10.223 1.00 0.20 H new ATOM 0 HA SER A 90 2.367 6.188 -7.260 1.00 0.16 H new ATOM 0 HB2 SER A 90 4.781 6.518 -7.830 1.00 0.13 H new ATOM 0 HB3 SER A 90 4.235 4.984 -8.478 1.00 0.13 H new ATOM 0 HG SER A 90 5.265 6.315 -10.125 1.00 0.23 H new ATOM 1398 N GLY A 91 2.933 8.685 -7.409 1.00 0.17 N ATOM 1399 CA GLY A 91 2.836 10.175 -7.447 1.00 0.14 C ATOM 1400 C GLY A 91 2.206 10.695 -6.154 1.00 0.21 C ATOM 1401 O GLY A 91 1.255 10.129 -5.652 1.00 0.32 O ATOM 0 H GLY A 91 3.344 8.297 -6.560 1.00 0.17 H new ATOM 0 HA2 GLY A 91 3.828 10.608 -7.577 1.00 0.14 H new ATOM 0 HA3 GLY A 91 2.237 10.486 -8.303 1.00 0.14 H new ATOM 1405 N ALA A 92 2.751 11.764 -5.639 1.00 0.19 N ATOM 1406 CA ALA A 92 2.193 12.334 -4.378 1.00 0.26 C ATOM 1407 C ALA A 92 0.759 12.824 -4.608 1.00 0.27 C ATOM 1408 O ALA A 92 0.533 13.995 -4.844 1.00 0.61 O ATOM 1409 CB ALA A 92 3.065 13.505 -3.930 1.00 0.31 C ATOM 0 H ALA A 92 3.550 12.263 -6.031 1.00 0.19 H new ATOM 0 HA ALA A 92 2.183 11.562 -3.609 1.00 0.26 H new ATOM 0 HB1 ALA A 92 2.663 13.927 -3.009 1.00 0.31 H new ATOM 0 HB2 ALA A 92 4.082 13.155 -3.755 1.00 0.31 H new ATOM 0 HB3 ALA A 92 3.073 14.270 -4.706 1.00 0.31 H new ATOM 1415 N ASN A 93 -0.176 11.913 -4.536 1.00 0.39 N ATOM 1416 CA ASN A 93 -1.604 12.302 -4.747 1.00 0.40 C ATOM 1417 C ASN A 93 -2.500 11.595 -3.723 1.00 0.50 C ATOM 1418 O ASN A 93 -2.308 10.431 -3.429 1.00 0.80 O ATOM 1419 CB ASN A 93 -2.031 11.903 -6.157 1.00 0.43 C ATOM 1420 CG ASN A 93 -3.115 12.866 -6.645 1.00 0.39 C ATOM 1421 OD1 ASN A 93 -3.174 13.215 -7.807 1.00 0.35 O ATOM 1422 ND2 ASN A 93 -3.990 13.318 -5.788 1.00 0.41 N ATOM 0 H ASN A 93 -0.016 10.924 -4.342 1.00 0.39 H new ATOM 0 HA ASN A 93 -1.704 13.380 -4.621 1.00 0.40 H new ATOM 0 HB2 ASN A 93 -1.174 11.929 -6.830 1.00 0.43 H new ATOM 0 HB3 ASN A 93 -2.408 10.880 -6.160 1.00 0.43 H new ATOM 0 HD21 ASN A 93 -4.719 13.961 -6.095 1.00 0.41 H new ATOM 0 HD22 ASN A 93 -3.944 13.028 -4.811 1.00 0.41 H new ATOM 1429 N LYS A 94 -3.460 12.322 -3.207 1.00 0.38 N ATOM 1430 CA LYS A 94 -4.386 11.724 -2.196 1.00 0.47 C ATOM 1431 C LYS A 94 -5.800 11.615 -2.774 1.00 0.38 C ATOM 1432 O LYS A 94 -6.385 10.550 -2.796 1.00 0.29 O ATOM 1433 CB LYS A 94 -4.414 12.616 -0.956 1.00 0.57 C ATOM 1434 CG LYS A 94 -3.002 13.133 -0.671 1.00 0.56 C ATOM 1435 CD LYS A 94 -2.858 14.543 -1.246 1.00 0.66 C ATOM 1436 CE LYS A 94 -1.429 15.037 -1.014 1.00 1.34 C ATOM 1437 NZ LYS A 94 -0.514 14.497 -2.059 1.00 3.10 N ATOM 0 H LYS A 94 -3.642 13.298 -3.440 1.00 0.38 H new ATOM 0 HA LYS A 94 -4.034 10.727 -1.932 1.00 0.47 H new ATOM 0 HB2 LYS A 94 -5.095 13.453 -1.111 1.00 0.57 H new ATOM 0 HB3 LYS A 94 -4.788 12.055 -0.099 1.00 0.57 H new ATOM 0 HG2 LYS A 94 -2.816 13.144 0.403 1.00 0.56 H new ATOM 0 HG3 LYS A 94 -2.262 12.468 -1.116 1.00 0.56 H new ATOM 0 HD2 LYS A 94 -3.086 14.539 -2.312 1.00 0.66 H new ATOM 0 HD3 LYS A 94 -3.570 15.217 -0.770 1.00 0.66 H new ATOM 0 HE2 LYS A 94 -1.407 16.127 -1.031 1.00 1.34 H new ATOM 0 HE3 LYS A 94 -1.086 14.727 -0.027 1.00 1.34 H new ATOM 0 HZ1 LYS A 94 0.452 14.842 -1.887 1.00 3.10 H new ATOM 0 HZ2 LYS A 94 -0.522 13.458 -2.024 1.00 3.10 H new ATOM 0 HZ3 LYS A 94 -0.833 14.814 -2.997 1.00 3.10 H new ATOM 1451 N GLU A 95 -6.319 12.722 -3.229 1.00 0.43 N ATOM 1452 CA GLU A 95 -7.689 12.708 -3.806 1.00 0.39 C ATOM 1453 C GLU A 95 -7.799 11.618 -4.875 1.00 0.31 C ATOM 1454 O GLU A 95 -8.882 11.271 -5.303 1.00 0.24 O ATOM 1455 CB GLU A 95 -7.979 14.068 -4.438 1.00 0.44 C ATOM 1456 CG GLU A 95 -8.752 14.932 -3.440 1.00 1.02 C ATOM 1457 CD GLU A 95 -8.846 16.362 -3.976 1.00 1.03 C ATOM 1458 OE1 GLU A 95 -8.348 16.562 -5.072 1.00 1.14 O ATOM 1459 OE2 GLU A 95 -9.410 17.173 -3.260 1.00 1.84 O ATOM 0 H GLU A 95 -5.855 13.630 -3.226 1.00 0.43 H new ATOM 0 HA GLU A 95 -8.410 12.503 -3.015 1.00 0.39 H new ATOM 0 HB2 GLU A 95 -7.047 14.559 -4.717 1.00 0.44 H new ATOM 0 HB3 GLU A 95 -8.558 13.941 -5.353 1.00 0.44 H new ATOM 0 HG2 GLU A 95 -9.750 14.523 -3.285 1.00 1.02 H new ATOM 0 HG3 GLU A 95 -8.251 14.926 -2.472 1.00 1.02 H new ATOM 1466 N LYS A 96 -6.674 11.101 -5.279 1.00 0.34 N ATOM 1467 CA LYS A 96 -6.692 10.037 -6.324 1.00 0.30 C ATOM 1468 C LYS A 96 -6.943 8.670 -5.678 1.00 0.28 C ATOM 1469 O LYS A 96 -7.743 7.895 -6.156 1.00 0.27 O ATOM 1470 CB LYS A 96 -5.347 10.027 -7.047 1.00 0.35 C ATOM 1471 CG LYS A 96 -5.407 9.039 -8.216 1.00 0.32 C ATOM 1472 CD LYS A 96 -5.229 9.805 -9.533 1.00 0.49 C ATOM 1473 CE LYS A 96 -3.828 10.427 -9.579 1.00 1.33 C ATOM 1474 NZ LYS A 96 -3.134 10.054 -10.843 1.00 1.26 N ATOM 0 H LYS A 96 -5.750 11.364 -4.936 1.00 0.34 H new ATOM 0 HA LYS A 96 -7.492 10.240 -7.036 1.00 0.30 H new ATOM 0 HB2 LYS A 96 -5.110 11.026 -7.412 1.00 0.35 H new ATOM 0 HB3 LYS A 96 -4.552 9.743 -6.357 1.00 0.35 H new ATOM 0 HG2 LYS A 96 -4.626 8.285 -8.111 1.00 0.32 H new ATOM 0 HG3 LYS A 96 -6.361 8.512 -8.214 1.00 0.32 H new ATOM 0 HD2 LYS A 96 -5.367 9.132 -10.379 1.00 0.49 H new ATOM 0 HD3 LYS A 96 -5.987 10.584 -9.618 1.00 0.49 H new ATOM 0 HE2 LYS A 96 -3.903 11.512 -9.504 1.00 1.33 H new ATOM 0 HE3 LYS A 96 -3.245 10.088 -8.723 1.00 1.33 H new ATOM 0 HZ1 LYS A 96 -2.187 10.483 -10.859 1.00 1.26 H new ATOM 0 HZ2 LYS A 96 -3.046 9.019 -10.899 1.00 1.26 H new ATOM 0 HZ3 LYS A 96 -3.684 10.399 -11.656 1.00 1.26 H new ATOM 1488 N LEU A 97 -6.255 8.406 -4.602 1.00 0.28 N ATOM 1489 CA LEU A 97 -6.445 7.095 -3.909 1.00 0.29 C ATOM 1490 C LEU A 97 -7.939 6.777 -3.788 1.00 0.27 C ATOM 1491 O LEU A 97 -8.368 5.680 -4.080 1.00 0.39 O ATOM 1492 CB LEU A 97 -5.833 7.179 -2.505 1.00 0.30 C ATOM 1493 CG LEU A 97 -4.302 7.139 -2.609 1.00 0.29 C ATOM 1494 CD1 LEU A 97 -3.701 7.575 -1.272 1.00 0.30 C ATOM 1495 CD2 LEU A 97 -3.826 5.712 -2.929 1.00 0.23 C ATOM 0 H LEU A 97 -5.574 9.033 -4.173 1.00 0.28 H new ATOM 0 HA LEU A 97 -5.957 6.309 -4.485 1.00 0.29 H new ATOM 0 HB2 LEU A 97 -6.151 8.098 -2.013 1.00 0.30 H new ATOM 0 HB3 LEU A 97 -6.188 6.350 -1.892 1.00 0.30 H new ATOM 0 HG LEU A 97 -3.982 7.809 -3.407 1.00 0.29 H new ATOM 0 HD11 LEU A 97 -2.613 7.550 -1.337 1.00 0.30 H new ATOM 0 HD12 LEU A 97 -4.027 8.589 -1.040 1.00 0.30 H new ATOM 0 HD13 LEU A 97 -4.034 6.898 -0.485 1.00 0.30 H new ATOM 0 HD21 LEU A 97 -2.738 5.699 -3.000 1.00 0.23 H new ATOM 0 HD22 LEU A 97 -4.146 5.035 -2.137 1.00 0.23 H new ATOM 0 HD23 LEU A 97 -4.255 5.389 -3.877 1.00 0.23 H new ATOM 1507 N GLU A 98 -8.695 7.752 -3.362 1.00 0.14 N ATOM 1508 CA GLU A 98 -10.163 7.530 -3.206 1.00 0.11 C ATOM 1509 C GLU A 98 -10.767 7.008 -4.507 1.00 0.11 C ATOM 1510 O GLU A 98 -11.124 5.853 -4.612 1.00 0.14 O ATOM 1511 CB GLU A 98 -10.834 8.851 -2.829 1.00 0.13 C ATOM 1512 CG GLU A 98 -12.350 8.646 -2.787 1.00 0.12 C ATOM 1513 CD GLU A 98 -12.970 9.661 -1.825 1.00 0.49 C ATOM 1514 OE1 GLU A 98 -12.672 10.830 -2.006 1.00 1.22 O ATOM 1515 OE2 GLU A 98 -13.708 9.209 -0.966 1.00 1.30 O ATOM 0 H GLU A 98 -8.365 8.685 -3.117 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.327 6.790 -2.423 1.00 0.11 H new ATOM 0 HB2 GLU A 98 -10.473 9.193 -1.859 1.00 0.13 H new ATOM 0 HB3 GLU A 98 -10.579 9.623 -3.554 1.00 0.13 H new ATOM 0 HG2 GLU A 98 -12.773 8.767 -3.784 1.00 0.12 H new ATOM 0 HG3 GLU A 98 -12.583 7.632 -2.463 1.00 0.12 H new ATOM 1522 N ALA A 99 -10.871 7.872 -5.463 1.00 0.13 N ATOM 1523 CA ALA A 99 -11.453 7.449 -6.771 1.00 0.13 C ATOM 1524 C ALA A 99 -10.826 6.124 -7.212 1.00 0.16 C ATOM 1525 O ALA A 99 -11.512 5.226 -7.657 1.00 0.17 O ATOM 1526 CB ALA A 99 -11.173 8.523 -7.822 1.00 0.15 C ATOM 0 H ALA A 99 -10.583 8.849 -5.406 1.00 0.13 H new ATOM 0 HA ALA A 99 -12.529 7.317 -6.662 1.00 0.13 H new ATOM 0 HB1 ALA A 99 -11.597 8.216 -8.778 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -11.625 9.464 -7.510 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -10.096 8.656 -7.929 1.00 0.15 H new ATOM 1532 N THR A 100 -9.532 6.033 -7.075 1.00 0.18 N ATOM 1533 CA THR A 100 -8.840 4.776 -7.473 1.00 0.22 C ATOM 1534 C THR A 100 -9.486 3.586 -6.764 1.00 0.19 C ATOM 1535 O THR A 100 -9.772 2.579 -7.378 1.00 0.18 O ATOM 1536 CB THR A 100 -7.361 4.871 -7.090 1.00 0.28 C ATOM 1537 OG1 THR A 100 -6.951 6.157 -7.547 1.00 0.32 O ATOM 1538 CG2 THR A 100 -6.512 3.876 -7.877 1.00 0.33 C ATOM 0 H THR A 100 -8.928 6.768 -6.708 1.00 0.18 H new ATOM 0 HA THR A 100 -8.927 4.636 -8.550 1.00 0.22 H new ATOM 0 HB THR A 100 -7.241 4.686 -6.023 1.00 0.28 H new ATOM 0 HG1 THR A 100 -7.302 6.846 -6.944 1.00 0.32 H new ATOM 0 HG21 THR A 100 -5.468 3.972 -7.579 1.00 0.33 H new ATOM 0 HG22 THR A 100 -6.856 2.862 -7.672 1.00 0.33 H new ATOM 0 HG23 THR A 100 -6.605 4.082 -8.943 1.00 0.33 H new ATOM 1546 N ILE A 101 -9.701 3.720 -5.483 1.00 0.18 N ATOM 1547 CA ILE A 101 -10.351 2.603 -4.747 1.00 0.16 C ATOM 1548 C ILE A 101 -11.716 2.347 -5.358 1.00 0.15 C ATOM 1549 O ILE A 101 -12.145 1.219 -5.489 1.00 0.17 O ATOM 1550 CB ILE A 101 -10.507 2.980 -3.272 1.00 0.16 C ATOM 1551 CG1 ILE A 101 -9.137 2.889 -2.584 1.00 0.27 C ATOM 1552 CG2 ILE A 101 -11.478 2.000 -2.605 1.00 0.14 C ATOM 1553 CD1 ILE A 101 -9.215 3.511 -1.181 1.00 0.94 C ATOM 0 H ILE A 101 -9.459 4.539 -4.925 1.00 0.18 H new ATOM 0 HA ILE A 101 -9.739 1.704 -4.819 1.00 0.16 H new ATOM 0 HB ILE A 101 -10.894 3.995 -3.185 1.00 0.16 H new ATOM 0 HG12 ILE A 101 -8.824 1.847 -2.513 1.00 0.27 H new ATOM 0 HG13 ILE A 101 -8.386 3.407 -3.180 1.00 0.27 H new ATOM 0 HG21 ILE A 101 -11.594 2.262 -1.553 1.00 0.14 H new ATOM 0 HG22 ILE A 101 -12.447 2.053 -3.102 1.00 0.14 H new ATOM 0 HG23 ILE A 101 -11.084 0.987 -2.685 1.00 0.14 H new ATOM 0 HD11 ILE A 101 -8.240 3.443 -0.698 1.00 0.94 H new ATOM 0 HD12 ILE A 101 -9.507 4.558 -1.263 1.00 0.94 H new ATOM 0 HD13 ILE A 101 -9.953 2.974 -0.585 1.00 0.94 H new ATOM 1565 N ASN A 102 -12.365 3.405 -5.724 1.00 0.15 N ATOM 1566 CA ASN A 102 -13.700 3.260 -6.357 1.00 0.18 C ATOM 1567 C ASN A 102 -13.541 2.517 -7.680 1.00 0.18 C ATOM 1568 O ASN A 102 -14.503 2.061 -8.266 1.00 0.20 O ATOM 1569 CB ASN A 102 -14.288 4.647 -6.615 1.00 0.21 C ATOM 1570 CG ASN A 102 -15.788 4.621 -6.318 1.00 0.43 C ATOM 1571 OD1 ASN A 102 -16.431 3.593 -6.406 1.00 0.34 O ATOM 1572 ND2 ASN A 102 -16.384 5.727 -5.967 1.00 1.02 N ATOM 0 H ASN A 102 -12.033 4.363 -5.614 1.00 0.15 H new ATOM 0 HA ASN A 102 -14.367 2.702 -5.700 1.00 0.18 H new ATOM 0 HB2 ASN A 102 -13.794 5.387 -5.986 1.00 0.21 H new ATOM 0 HB3 ASN A 102 -14.115 4.941 -7.650 1.00 0.21 H new ATOM 0 HD21 ASN A 102 -17.384 5.726 -5.768 1.00 1.02 H new ATOM 0 HD22 ASN A 102 -15.850 6.593 -5.891 1.00 1.02 H new ATOM 1579 N GLU A 103 -12.314 2.413 -8.119 1.00 0.17 N ATOM 1580 CA GLU A 103 -12.048 1.708 -9.403 1.00 0.18 C ATOM 1581 C GLU A 103 -12.181 0.190 -9.226 1.00 0.14 C ATOM 1582 O GLU A 103 -12.807 -0.473 -10.028 1.00 0.16 O ATOM 1583 CB GLU A 103 -10.630 2.040 -9.867 1.00 0.21 C ATOM 1584 CG GLU A 103 -10.549 1.879 -11.386 1.00 0.28 C ATOM 1585 CD GLU A 103 -9.113 2.132 -11.846 1.00 1.42 C ATOM 1586 OE1 GLU A 103 -8.368 1.166 -11.853 1.00 2.56 O ATOM 1587 OE2 GLU A 103 -8.841 3.278 -12.163 1.00 1.68 O ATOM 0 H GLU A 103 -11.490 2.784 -7.646 1.00 0.17 H new ATOM 0 HA GLU A 103 -12.776 2.037 -10.144 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -10.371 3.060 -9.583 1.00 0.21 H new ATOM 0 HB3 GLU A 103 -9.911 1.381 -9.380 1.00 0.21 H new ATOM 0 HG2 GLU A 103 -10.864 0.876 -11.674 1.00 0.28 H new ATOM 0 HG3 GLU A 103 -11.228 2.579 -11.874 1.00 0.28 H new ATOM 1594 N LEU A 104 -11.590 -0.329 -8.175 1.00 0.14 N ATOM 1595 CA LEU A 104 -11.660 -1.810 -7.950 1.00 0.16 C ATOM 1596 C LEU A 104 -12.718 -2.167 -6.893 1.00 0.23 C ATOM 1597 O LEU A 104 -12.953 -3.329 -6.627 1.00 0.31 O ATOM 1598 CB LEU A 104 -10.292 -2.312 -7.484 1.00 0.27 C ATOM 1599 CG LEU A 104 -9.195 -1.692 -8.354 1.00 0.32 C ATOM 1600 CD1 LEU A 104 -7.852 -2.333 -7.997 1.00 0.45 C ATOM 1601 CD2 LEU A 104 -9.502 -1.962 -9.830 1.00 0.29 C ATOM 0 H LEU A 104 -11.070 0.198 -7.473 1.00 0.14 H new ATOM 0 HA LEU A 104 -11.942 -2.286 -8.889 1.00 0.16 H new ATOM 0 HB2 LEU A 104 -10.133 -2.049 -6.438 1.00 0.27 H new ATOM 0 HB3 LEU A 104 -10.251 -3.399 -7.549 1.00 0.27 H new ATOM 0 HG LEU A 104 -9.153 -0.617 -8.180 1.00 0.32 H new ATOM 0 HD11 LEU A 104 -7.065 -1.897 -8.613 1.00 0.45 H new ATOM 0 HD12 LEU A 104 -7.631 -2.153 -6.945 1.00 0.45 H new ATOM 0 HD13 LEU A 104 -7.901 -3.407 -8.179 1.00 0.45 H new ATOM 0 HD21 LEU A 104 -8.722 -1.521 -10.450 1.00 0.29 H new ATOM 0 HD22 LEU A 104 -9.539 -3.038 -10.003 1.00 0.29 H new ATOM 0 HD23 LEU A 104 -10.464 -1.520 -10.088 1.00 0.29 H new ATOM 1613 N VAL A 105 -13.331 -1.174 -6.313 1.00 0.25 N ATOM 1614 CA VAL A 105 -14.370 -1.470 -5.276 1.00 0.38 C ATOM 1615 C VAL A 105 -15.437 -2.404 -5.855 1.00 0.58 C ATOM 1616 O VAL A 105 -15.571 -2.387 -7.067 1.00 1.43 O ATOM 1617 CB VAL A 105 -15.026 -0.165 -4.828 1.00 0.31 C ATOM 1618 CG1 VAL A 105 -16.056 0.265 -5.875 1.00 0.40 C ATOM 1619 CG2 VAL A 105 -15.736 -0.386 -3.490 1.00 0.34 C ATOM 1620 OXT VAL A 105 -16.059 -3.081 -5.051 1.00 0.92 O ATOM 0 H VAL A 105 -13.165 -0.186 -6.504 1.00 0.25 H new ATOM 0 HA VAL A 105 -13.896 -1.955 -4.423 1.00 0.38 H new ATOM 0 HB VAL A 105 -14.265 0.607 -4.717 1.00 0.31 H new ATOM 0 HG11 VAL A 105 -16.528 1.196 -5.561 1.00 0.40 H new ATOM 0 HG12 VAL A 105 -15.559 0.415 -6.834 1.00 0.40 H new ATOM 0 HG13 VAL A 105 -16.816 -0.510 -5.978 1.00 0.40 H new ATOM 0 HG21 VAL A 105 -16.205 0.544 -3.169 1.00 0.34 H new ATOM 0 HG22 VAL A 105 -16.499 -1.156 -3.606 1.00 0.34 H new ATOM 0 HG23 VAL A 105 -15.010 -0.704 -2.741 1.00 0.34 H new