USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1001 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 91 MET CE :methyl 179:sc= -1.56 (180deg=-1.45) USER MOD Set 1.2: A 100 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 102 THR OG1 : rot -120:sc= -0.161 USER MOD Set 1.4: A 111 ASN : amide:sc= -0.469 K(o=-3.1,f=-5.5!) USER MOD Set 1.5: A 113 MET CE :methyl -174:sc= -0.926 (180deg=-1.04) USER MOD Set 2.1: A 19 MET CE :methyl 168:sc= -2.12! (180deg=-2.75!) USER MOD Set 2.2: A 73 THR OG1 : rot -69:sc= 1.01 USER MOD Set 2.3: A 74 MET CE :methyl -127:sc= -0.256 (180deg=-2.96!) USER MOD Set 2.4: A 75 THR OG1 : rot 150:sc= 0.0326 USER MOD Set 3.1: A 43 HIS : no HE2:sc= -0.478 K(o=-2.2,f=-4) USER MOD Set 3.2: A 85 MET CE :methyl -114:sc= -1.68 (180deg=-5.32!) USER MOD Set 4.1: A 12 GLN : amide:sc= -2.84! C(o=-1.6!,f=-12!) USER MOD Set 4.2: A 36 LYS NZ :NH3+ 151:sc= 1.26 (180deg=0) USER MOD Set 5.1: A 8 GLN : amide:sc= -0.276 K(o=-0.33,f=-1.7!) USER MOD Set 5.2: A 10 GLN : amide:sc= -0.0545 X(o=-0.33,f=-0.59) USER MOD Single : A 4 SER OG : rot -7:sc= -0.0592 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot -19:sc= 0.931 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -3.68! C(o=-3.7!,f=-6.9!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -157:sc= -0.752 (180deg=-1.07) USER MOD Single : A 30 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.42) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 26:sc= 1.35 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00383) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 76:sc= 0.174 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -163:sc= -0.168 (180deg=-0.6) USER MOD Single : A 60 HIS : no HE2:sc= -0.956 K(o=-0.96,f=-3.2!) USER MOD Single : A 61 ASN :FLIP amide:sc= -0.371 F(o=-5.8!,f=-0.37) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot 57:sc= 0.256 USER MOD Single : A 78 LYS NZ :NH3+ -161:sc= 2.4 (180deg=1.84) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.975 X(o=-0.98,f=-1.2) USER MOD Single : A 90 LYS NZ :NH3+ -151:sc= 1.79 (180deg=0.977) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.359 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00249) USER MOD Single : A 105 ASN :FLIP amide:sc= -0.362 F(o=-2.4!,f=-0.36) USER MOD Single : A 108 THR OG1 : rot 26:sc= 0.0317 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 165:sc= -0.701 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot -130:sc= 0.682 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 54 N SER A 4 5.298 -11.698 4.921 1.00 0.00 N ATOM 55 CA SER A 4 5.364 -11.091 6.233 1.00 0.00 C ATOM 56 C SER A 4 6.731 -10.478 6.525 1.00 0.00 C ATOM 57 O SER A 4 7.731 -10.821 5.895 1.00 0.00 O ATOM 58 CB SER A 4 5.027 -12.125 7.293 1.00 0.00 C ATOM 59 OG SER A 4 5.054 -13.439 6.757 1.00 0.00 O ATOM 0 HA SER A 4 4.635 -10.281 6.253 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.738 -12.051 8.116 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.039 -11.918 7.705 1.00 0.00 H new ATOM 0 HG SER A 4 5.177 -13.394 5.786 1.00 0.00 H new ATOM 65 N GLY A 5 6.746 -9.576 7.497 1.00 0.00 N ATOM 66 CA GLY A 5 7.959 -8.932 7.947 1.00 0.00 C ATOM 67 C GLY A 5 7.871 -7.433 7.827 1.00 0.00 C ATOM 68 O GLY A 5 6.872 -6.908 7.344 1.00 0.00 O ATOM 0 H GLY A 5 5.909 -9.273 7.994 1.00 0.00 H new ATOM 0 HA2 GLY A 5 8.152 -9.203 8.985 1.00 0.00 H new ATOM 0 HA3 GLY A 5 8.803 -9.295 7.361 1.00 0.00 H new ATOM 72 N LYS A 6 8.903 -6.737 8.264 1.00 0.00 N ATOM 73 CA LYS A 6 8.910 -5.287 8.178 1.00 0.00 C ATOM 74 C LYS A 6 9.668 -4.867 6.931 1.00 0.00 C ATOM 75 O LYS A 6 10.849 -5.171 6.771 1.00 0.00 O ATOM 76 CB LYS A 6 9.566 -4.657 9.406 1.00 0.00 C ATOM 77 CG LYS A 6 9.043 -5.194 10.717 1.00 0.00 C ATOM 78 CD LYS A 6 9.740 -4.563 11.913 1.00 0.00 C ATOM 79 CE LYS A 6 9.567 -3.049 11.938 1.00 0.00 C ATOM 80 NZ LYS A 6 10.198 -2.424 13.131 1.00 0.00 N ATOM 0 H LYS A 6 9.740 -7.146 8.679 1.00 0.00 H new ATOM 0 HA LYS A 6 7.877 -4.941 8.131 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.642 -4.825 9.358 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.410 -3.579 9.377 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.971 -5.008 10.783 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.181 -6.275 10.746 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.340 -4.989 12.833 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.802 -4.807 11.884 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.002 -2.622 11.035 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.504 -2.808 11.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.053 -1.395 13.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.766 -2.810 13.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.217 -2.630 13.132 1.00 0.00 H new ATOM 94 N TYR A 7 8.973 -4.203 6.044 1.00 0.00 N ATOM 95 CA TYR A 7 9.554 -3.706 4.818 1.00 0.00 C ATOM 96 C TYR A 7 9.383 -2.202 4.785 1.00 0.00 C ATOM 97 O TYR A 7 8.276 -1.701 4.888 1.00 0.00 O ATOM 98 CB TYR A 7 8.862 -4.334 3.604 1.00 0.00 C ATOM 99 CG TYR A 7 8.886 -5.852 3.574 1.00 0.00 C ATOM 100 CD1 TYR A 7 8.057 -6.597 4.403 1.00 0.00 C ATOM 101 CD2 TYR A 7 9.717 -6.535 2.700 1.00 0.00 C ATOM 102 CE1 TYR A 7 8.064 -7.978 4.365 1.00 0.00 C ATOM 103 CE2 TYR A 7 9.729 -7.916 2.657 1.00 0.00 C ATOM 104 CZ TYR A 7 8.903 -8.632 3.490 1.00 0.00 C ATOM 105 OH TYR A 7 8.914 -10.006 3.446 1.00 0.00 O ATOM 0 H TYR A 7 7.981 -3.989 6.150 1.00 0.00 H new ATOM 0 HA TYR A 7 10.611 -3.968 4.780 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.825 -4.000 3.581 1.00 0.00 H new ATOM 0 HB3 TYR A 7 9.337 -3.959 2.698 1.00 0.00 H new ATOM 0 HD1 TYR A 7 7.396 -6.088 5.089 1.00 0.00 H new ATOM 0 HD2 TYR A 7 10.367 -5.978 2.041 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.415 -8.542 5.018 1.00 0.00 H new ATOM 0 HE2 TYR A 7 10.385 -8.431 1.971 1.00 0.00 H new ATOM 0 HH TYR A 7 8.523 -10.363 4.271 1.00 0.00 H new ATOM 115 N GLN A 8 10.461 -1.484 4.619 1.00 0.00 N ATOM 116 CA GLN A 8 10.421 -0.045 4.760 1.00 0.00 C ATOM 117 C GLN A 8 10.185 0.573 3.394 1.00 0.00 C ATOM 118 O GLN A 8 10.791 0.144 2.408 1.00 0.00 O ATOM 119 CB GLN A 8 11.734 0.432 5.370 1.00 0.00 C ATOM 120 CG GLN A 8 11.686 1.843 5.924 1.00 0.00 C ATOM 121 CD GLN A 8 12.317 2.864 5.002 1.00 0.00 C ATOM 122 OE1 GLN A 8 13.234 2.553 4.241 1.00 0.00 O ATOM 123 NE2 GLN A 8 11.845 4.097 5.078 1.00 0.00 N ATOM 0 H GLN A 8 11.378 -1.866 4.387 1.00 0.00 H new ATOM 0 HA GLN A 8 9.609 0.259 5.421 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.019 -0.251 6.170 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.515 0.378 4.611 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.648 2.120 6.107 1.00 0.00 H new ATOM 0 HG3 GLN A 8 12.197 1.867 6.887 1.00 0.00 H new ATOM 0 HE21 GLN A 8 11.084 4.313 5.722 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.242 4.832 4.493 1.00 0.00 H new ATOM 132 N VAL A 9 9.275 1.538 3.308 1.00 0.00 N ATOM 133 CA VAL A 9 9.002 2.156 2.027 1.00 0.00 C ATOM 134 C VAL A 9 10.202 2.991 1.594 1.00 0.00 C ATOM 135 O VAL A 9 10.804 3.725 2.377 1.00 0.00 O ATOM 136 CB VAL A 9 7.701 2.994 2.008 1.00 0.00 C ATOM 137 CG1 VAL A 9 7.958 4.406 2.414 1.00 0.00 C ATOM 138 CG2 VAL A 9 7.054 2.939 0.636 1.00 0.00 C ATOM 0 H VAL A 9 8.730 1.898 4.091 1.00 0.00 H new ATOM 0 HA VAL A 9 8.838 1.350 1.311 1.00 0.00 H new ATOM 0 HB VAL A 9 7.013 2.561 2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.024 4.967 2.390 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.367 4.425 3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.671 4.859 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.140 3.534 0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.743 3.339 -0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.813 1.905 0.389 1.00 0.00 H new ATOM 148 N GLN A 10 10.530 2.852 0.339 1.00 0.00 N ATOM 149 CA GLN A 10 11.777 3.345 -0.202 1.00 0.00 C ATOM 150 C GLN A 10 11.550 4.505 -1.156 1.00 0.00 C ATOM 151 O GLN A 10 12.059 5.607 -0.947 1.00 0.00 O ATOM 152 CB GLN A 10 12.476 2.187 -0.907 1.00 0.00 C ATOM 153 CG GLN A 10 13.434 1.466 -0.011 1.00 0.00 C ATOM 154 CD GLN A 10 14.703 2.253 0.226 1.00 0.00 C ATOM 155 OE1 GLN A 10 14.796 3.037 1.171 1.00 0.00 O ATOM 156 NE2 GLN A 10 15.686 2.064 -0.637 1.00 0.00 N ATOM 0 H GLN A 10 9.936 2.389 -0.349 1.00 0.00 H new ATOM 0 HA GLN A 10 12.402 3.725 0.606 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.728 1.484 -1.274 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.012 2.566 -1.777 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.951 1.263 0.945 1.00 0.00 H new ATOM 0 HG3 GLN A 10 13.685 0.501 -0.452 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.569 1.405 -1.407 1.00 0.00 H new ATOM 0 HE22 GLN A 10 16.561 2.577 -0.533 1.00 0.00 H new ATOM 165 N SER A 11 10.748 4.258 -2.173 1.00 0.00 N ATOM 166 CA SER A 11 10.523 5.225 -3.232 1.00 0.00 C ATOM 167 C SER A 11 9.155 5.000 -3.848 1.00 0.00 C ATOM 168 O SER A 11 8.644 3.878 -3.835 1.00 0.00 O ATOM 169 CB SER A 11 11.607 5.088 -4.299 1.00 0.00 C ATOM 170 OG SER A 11 12.871 5.524 -3.824 1.00 0.00 O ATOM 0 H SER A 11 10.235 3.384 -2.289 1.00 0.00 H new ATOM 0 HA SER A 11 10.564 6.231 -2.815 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.677 4.047 -4.615 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.328 5.670 -5.177 1.00 0.00 H new ATOM 0 HG SER A 11 13.540 5.420 -4.532 1.00 0.00 H new ATOM 176 N GLN A 12 8.547 6.060 -4.357 1.00 0.00 N ATOM 177 CA GLN A 12 7.228 5.947 -4.945 1.00 0.00 C ATOM 178 C GLN A 12 7.168 6.654 -6.284 1.00 0.00 C ATOM 179 O GLN A 12 7.841 7.660 -6.517 1.00 0.00 O ATOM 180 CB GLN A 12 6.130 6.519 -4.035 1.00 0.00 C ATOM 181 CG GLN A 12 6.135 5.971 -2.612 1.00 0.00 C ATOM 182 CD GLN A 12 7.263 6.530 -1.757 1.00 0.00 C ATOM 183 OE1 GLN A 12 7.658 7.687 -1.891 1.00 0.00 O ATOM 184 NE2 GLN A 12 7.816 5.696 -0.895 1.00 0.00 N ATOM 0 H GLN A 12 8.944 6.999 -4.374 1.00 0.00 H new ATOM 0 HA GLN A 12 7.046 4.881 -5.078 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.239 7.603 -3.993 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.159 6.314 -4.486 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.181 6.201 -2.138 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.220 4.885 -2.648 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.463 4.743 -0.810 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.596 6.005 -0.315 1.00 0.00 H new ATOM 193 N GLU A 13 6.350 6.099 -7.144 1.00 0.00 N ATOM 194 CA GLU A 13 6.038 6.676 -8.425 1.00 0.00 C ATOM 195 C GLU A 13 4.805 7.527 -8.294 1.00 0.00 C ATOM 196 O GLU A 13 3.786 7.072 -7.765 1.00 0.00 O ATOM 197 CB GLU A 13 5.784 5.563 -9.412 1.00 0.00 C ATOM 198 CG GLU A 13 7.042 4.883 -9.916 1.00 0.00 C ATOM 199 CD GLU A 13 7.869 5.769 -10.824 1.00 0.00 C ATOM 200 OE1 GLU A 13 8.670 6.571 -10.310 1.00 0.00 O ATOM 201 OE2 GLU A 13 7.726 5.662 -12.059 1.00 0.00 O ATOM 0 H GLU A 13 5.873 5.215 -6.968 1.00 0.00 H new ATOM 0 HA GLU A 13 6.868 7.292 -8.773 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.143 4.816 -8.944 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.235 5.965 -10.264 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.649 4.577 -9.064 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.768 3.976 -10.454 1.00 0.00 H new ATOM 208 N ASN A 14 4.915 8.764 -8.749 1.00 0.00 N ATOM 209 CA ASN A 14 3.814 9.702 -8.682 1.00 0.00 C ATOM 210 C ASN A 14 3.559 10.108 -7.237 1.00 0.00 C ATOM 211 O ASN A 14 4.292 10.930 -6.699 1.00 0.00 O ATOM 212 CB ASN A 14 2.568 9.090 -9.338 1.00 0.00 C ATOM 213 CG ASN A 14 2.544 9.340 -10.833 1.00 0.00 C ATOM 214 OD1 ASN A 14 3.089 10.330 -11.315 1.00 0.00 O ATOM 215 ND2 ASN A 14 1.922 8.448 -11.574 1.00 0.00 N ATOM 0 H ASN A 14 5.763 9.141 -9.171 1.00 0.00 H new ATOM 0 HA ASN A 14 4.068 10.607 -9.234 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.546 8.017 -9.148 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.672 9.513 -8.883 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.880 8.566 -12.586 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.482 7.639 -11.136 1.00 0.00 H new ATOM 222 N PHE A 15 2.520 9.539 -6.628 1.00 0.00 N ATOM 223 CA PHE A 15 2.212 9.754 -5.214 1.00 0.00 C ATOM 224 C PHE A 15 1.655 11.156 -5.003 1.00 0.00 C ATOM 225 O PHE A 15 1.524 11.637 -3.886 1.00 0.00 O ATOM 226 CB PHE A 15 3.469 9.512 -4.387 1.00 0.00 C ATOM 227 CG PHE A 15 3.215 9.160 -2.955 1.00 0.00 C ATOM 228 CD1 PHE A 15 2.364 8.123 -2.633 1.00 0.00 C ATOM 229 CD2 PHE A 15 3.849 9.850 -1.934 1.00 0.00 C ATOM 230 CE1 PHE A 15 2.146 7.774 -1.316 1.00 0.00 C ATOM 231 CE2 PHE A 15 3.632 9.510 -0.614 1.00 0.00 C ATOM 232 CZ PHE A 15 2.779 8.471 -0.304 1.00 0.00 C ATOM 0 H PHE A 15 1.867 8.915 -7.101 1.00 0.00 H new ATOM 0 HA PHE A 15 1.446 9.051 -4.888 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.043 8.708 -4.849 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.089 10.407 -4.423 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.863 7.579 -3.420 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.520 10.662 -2.174 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.481 6.957 -1.076 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.129 10.056 0.174 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.606 8.203 0.728 1.00 0.00 H new ATOM 242 N GLU A 16 1.304 11.782 -6.116 1.00 0.00 N ATOM 243 CA GLU A 16 0.917 13.193 -6.162 1.00 0.00 C ATOM 244 C GLU A 16 -0.239 13.377 -7.144 1.00 0.00 C ATOM 245 O GLU A 16 -1.224 14.033 -6.837 1.00 0.00 O ATOM 246 CB GLU A 16 2.141 14.007 -6.558 1.00 0.00 C ATOM 247 CG GLU A 16 3.322 13.687 -5.694 1.00 0.00 C ATOM 248 CD GLU A 16 4.551 14.514 -6.007 1.00 0.00 C ATOM 249 OE1 GLU A 16 5.255 14.201 -6.990 1.00 0.00 O ATOM 250 OE2 GLU A 16 4.832 15.474 -5.272 1.00 0.00 O ATOM 0 H GLU A 16 1.278 11.323 -7.027 1.00 0.00 H new ATOM 0 HA GLU A 16 0.569 13.538 -5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.388 13.808 -7.601 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.912 15.070 -6.482 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.049 13.840 -4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.568 12.631 -5.807 1.00 0.00 H new ATOM 257 N PRO A 17 -0.143 12.771 -8.337 1.00 0.00 N ATOM 258 CA PRO A 17 -1.299 12.550 -9.197 1.00 0.00 C ATOM 259 C PRO A 17 -2.274 11.683 -8.470 1.00 0.00 C ATOM 260 O PRO A 17 -3.483 11.806 -8.563 1.00 0.00 O ATOM 261 CB PRO A 17 -0.762 11.737 -10.344 1.00 0.00 C ATOM 262 CG PRO A 17 0.692 11.975 -10.344 1.00 0.00 C ATOM 263 CD PRO A 17 1.081 12.255 -8.932 1.00 0.00 C ATOM 0 HA PRO A 17 -1.777 13.482 -9.499 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.987 10.678 -10.215 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.211 12.045 -11.288 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.226 11.106 -10.727 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.946 12.816 -10.989 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.425 11.354 -8.424 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.892 12.981 -8.876 1.00 0.00 H new ATOM 271 N PHE A 18 -1.660 10.774 -7.766 1.00 0.00 N ATOM 272 CA PHE A 18 -2.330 9.852 -6.893 1.00 0.00 C ATOM 273 C PHE A 18 -3.128 10.622 -5.852 1.00 0.00 C ATOM 274 O PHE A 18 -4.325 10.415 -5.706 1.00 0.00 O ATOM 275 CB PHE A 18 -1.231 9.000 -6.247 1.00 0.00 C ATOM 276 CG PHE A 18 -1.694 7.939 -5.277 1.00 0.00 C ATOM 277 CD1 PHE A 18 -2.630 8.212 -4.293 1.00 0.00 C ATOM 278 CD2 PHE A 18 -1.190 6.655 -5.368 1.00 0.00 C ATOM 279 CE1 PHE A 18 -3.052 7.232 -3.425 1.00 0.00 C ATOM 280 CE2 PHE A 18 -1.608 5.667 -4.498 1.00 0.00 C ATOM 281 CZ PHE A 18 -2.542 5.956 -3.526 1.00 0.00 C ATOM 0 H PHE A 18 -0.648 10.651 -7.785 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.036 9.216 -7.427 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.663 8.514 -7.040 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.544 9.666 -5.725 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.035 9.210 -4.206 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.460 6.421 -6.129 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.783 7.463 -2.664 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.204 4.669 -4.579 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.873 5.185 -2.846 1.00 0.00 H new ATOM 291 N MET A 19 -2.462 11.517 -5.151 1.00 0.00 N ATOM 292 CA MET A 19 -3.130 12.375 -4.185 1.00 0.00 C ATOM 293 C MET A 19 -4.128 13.298 -4.863 1.00 0.00 C ATOM 294 O MET A 19 -5.175 13.593 -4.297 1.00 0.00 O ATOM 295 CB MET A 19 -2.105 13.199 -3.432 1.00 0.00 C ATOM 296 CG MET A 19 -1.078 12.361 -2.698 1.00 0.00 C ATOM 297 SD MET A 19 -1.528 12.038 -0.979 1.00 0.00 S ATOM 298 CE MET A 19 -3.131 11.263 -1.162 1.00 0.00 C ATOM 0 H MET A 19 -1.457 11.672 -5.230 1.00 0.00 H new ATOM 0 HA MET A 19 -3.674 11.737 -3.488 1.00 0.00 H new ATOM 0 HB2 MET A 19 -1.592 13.856 -4.134 1.00 0.00 H new ATOM 0 HB3 MET A 19 -2.620 13.839 -2.715 1.00 0.00 H new ATOM 0 HG2 MET A 19 -0.952 11.412 -3.219 1.00 0.00 H new ATOM 0 HG3 MET A 19 -0.115 12.870 -2.726 1.00 0.00 H new ATOM 0 HE1 MET A 19 -3.432 10.821 -0.212 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.865 12.011 -1.462 1.00 0.00 H new ATOM 0 HE3 MET A 19 -3.074 10.485 -1.923 1.00 0.00 H new ATOM 308 N LYS A 20 -3.803 13.774 -6.061 1.00 0.00 N ATOM 309 CA LYS A 20 -4.695 14.682 -6.752 1.00 0.00 C ATOM 310 C LYS A 20 -5.975 13.936 -7.131 1.00 0.00 C ATOM 311 O LYS A 20 -7.079 14.467 -7.010 1.00 0.00 O ATOM 312 CB LYS A 20 -4.012 15.334 -7.977 1.00 0.00 C ATOM 313 CG LYS A 20 -4.179 14.605 -9.295 1.00 0.00 C ATOM 314 CD LYS A 20 -3.518 15.381 -10.413 1.00 0.00 C ATOM 315 CE LYS A 20 -3.015 14.443 -11.482 1.00 0.00 C ATOM 316 NZ LYS A 20 -2.170 15.132 -12.493 1.00 0.00 N ATOM 0 H LYS A 20 -2.943 13.548 -6.561 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.956 15.504 -6.085 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.403 16.345 -8.091 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.946 15.426 -7.768 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.740 13.610 -9.226 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.239 14.472 -9.513 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.229 16.086 -10.844 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.689 15.967 -10.016 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.439 13.643 -11.017 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.865 13.976 -11.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.850 14.444 -13.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.725 15.879 -12.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.344 15.555 -12.024 1.00 0.00 H new ATOM 330 N ALA A 21 -5.802 12.691 -7.564 1.00 0.00 N ATOM 331 CA ALA A 21 -6.903 11.766 -7.835 1.00 0.00 C ATOM 332 C ALA A 21 -7.534 11.239 -6.545 1.00 0.00 C ATOM 333 O ALA A 21 -8.073 10.130 -6.517 1.00 0.00 O ATOM 334 CB ALA A 21 -6.395 10.598 -8.664 1.00 0.00 C ATOM 0 H ALA A 21 -4.881 12.288 -7.740 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.670 12.313 -8.384 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.216 9.910 -8.865 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.993 10.969 -9.607 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.611 10.076 -8.115 1.00 0.00 H new ATOM 340 N MET A 22 -7.482 12.031 -5.488 1.00 0.00 N ATOM 341 CA MET A 22 -7.757 11.521 -4.155 1.00 0.00 C ATOM 342 C MET A 22 -8.237 12.625 -3.215 1.00 0.00 C ATOM 343 O MET A 22 -9.201 12.433 -2.472 1.00 0.00 O ATOM 344 CB MET A 22 -6.485 10.846 -3.635 1.00 0.00 C ATOM 345 CG MET A 22 -6.528 10.429 -2.184 1.00 0.00 C ATOM 346 SD MET A 22 -7.931 9.367 -1.791 1.00 0.00 S ATOM 347 CE MET A 22 -7.488 8.836 -0.140 1.00 0.00 C ATOM 0 H MET A 22 -7.253 13.024 -5.525 1.00 0.00 H new ATOM 0 HA MET A 22 -8.568 10.794 -4.199 1.00 0.00 H new ATOM 0 HB2 MET A 22 -6.285 9.965 -4.244 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.647 11.528 -3.776 1.00 0.00 H new ATOM 0 HG2 MET A 22 -5.604 9.906 -1.935 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.569 11.320 -1.558 1.00 0.00 H new ATOM 0 HE1 MET A 22 -7.995 7.898 0.089 1.00 0.00 H new ATOM 0 HE2 MET A 22 -6.409 8.689 -0.082 1.00 0.00 H new ATOM 0 HE3 MET A 22 -7.790 9.597 0.580 1.00 0.00 H new ATOM 357 N GLY A 23 -7.580 13.778 -3.247 1.00 0.00 N ATOM 358 CA GLY A 23 -8.015 14.883 -2.430 1.00 0.00 C ATOM 359 C GLY A 23 -7.022 16.029 -2.380 1.00 0.00 C ATOM 360 O GLY A 23 -7.385 17.177 -2.627 1.00 0.00 O ATOM 0 H GLY A 23 -6.758 13.962 -3.823 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.966 15.254 -2.812 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.196 14.525 -1.416 1.00 0.00 H new ATOM 364 N LEU A 24 -5.769 15.725 -2.073 1.00 0.00 N ATOM 365 CA LEU A 24 -4.769 16.745 -1.868 1.00 0.00 C ATOM 366 C LEU A 24 -4.148 17.171 -3.200 1.00 0.00 C ATOM 367 O LEU A 24 -3.826 16.328 -4.034 1.00 0.00 O ATOM 368 CB LEU A 24 -3.704 16.179 -0.939 1.00 0.00 C ATOM 369 CG LEU A 24 -2.722 17.189 -0.375 1.00 0.00 C ATOM 370 CD1 LEU A 24 -3.389 18.007 0.711 1.00 0.00 C ATOM 371 CD2 LEU A 24 -1.491 16.489 0.148 1.00 0.00 C ATOM 0 H LEU A 24 -5.426 14.771 -1.961 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.225 17.630 -1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.201 15.679 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.143 15.417 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.409 17.866 -1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.678 18.730 1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.247 18.535 0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.723 17.346 1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.796 17.227 0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.776 15.792 0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.011 15.942 -0.664 1.00 0.00 H new ATOM 383 N PRO A 25 -3.975 18.485 -3.415 1.00 0.00 N ATOM 384 CA PRO A 25 -3.389 19.021 -4.646 1.00 0.00 C ATOM 385 C PRO A 25 -1.878 18.874 -4.658 1.00 0.00 C ATOM 386 O PRO A 25 -1.265 18.883 -3.590 1.00 0.00 O ATOM 387 CB PRO A 25 -3.762 20.496 -4.588 1.00 0.00 C ATOM 388 CG PRO A 25 -3.756 20.787 -3.141 1.00 0.00 C ATOM 389 CD PRO A 25 -4.324 19.564 -2.475 1.00 0.00 C ATOM 0 HA PRO A 25 -3.747 18.504 -5.536 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.044 21.115 -5.126 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -4.740 20.682 -5.032 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.745 20.991 -2.787 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.356 21.669 -2.917 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.886 19.400 -1.491 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.402 19.644 -2.334 1.00 0.00 H new ATOM 397 N GLU A 26 -1.274 18.756 -5.836 1.00 0.00 N ATOM 398 CA GLU A 26 0.156 18.571 -5.937 1.00 0.00 C ATOM 399 C GLU A 26 0.909 19.577 -5.119 1.00 0.00 C ATOM 400 O GLU A 26 1.771 19.184 -4.374 1.00 0.00 O ATOM 401 CB GLU A 26 0.601 18.664 -7.379 1.00 0.00 C ATOM 402 CG GLU A 26 1.153 17.354 -7.915 1.00 0.00 C ATOM 403 CD GLU A 26 1.185 17.301 -9.428 1.00 0.00 C ATOM 404 OE1 GLU A 26 0.234 17.798 -10.069 1.00 0.00 O ATOM 405 OE2 GLU A 26 2.155 16.755 -9.991 1.00 0.00 O ATOM 0 H GLU A 26 -1.760 18.786 -6.732 1.00 0.00 H new ATOM 0 HA GLU A 26 0.379 17.578 -5.547 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.243 18.975 -7.995 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.364 19.437 -7.469 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.162 17.207 -7.530 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.546 16.530 -7.541 1.00 0.00 H new ATOM 412 N ASP A 27 0.544 20.845 -5.181 1.00 0.00 N ATOM 413 CA ASP A 27 1.262 21.858 -4.412 1.00 0.00 C ATOM 414 C ASP A 27 1.255 21.500 -2.940 1.00 0.00 C ATOM 415 O ASP A 27 2.285 21.533 -2.311 1.00 0.00 O ATOM 416 CB ASP A 27 0.659 23.247 -4.620 1.00 0.00 C ATOM 417 CG ASP A 27 -0.852 23.251 -4.569 1.00 0.00 C ATOM 418 OD1 ASP A 27 -1.487 22.732 -5.514 1.00 0.00 O ATOM 419 OD2 ASP A 27 -1.409 23.776 -3.587 1.00 0.00 O ATOM 0 H ASP A 27 -0.230 21.198 -5.743 1.00 0.00 H new ATOM 0 HA ASP A 27 2.292 21.882 -4.769 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.044 23.922 -3.856 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.985 23.638 -5.584 1.00 0.00 H new ATOM 424 N LEU A 28 0.137 21.043 -2.417 1.00 0.00 N ATOM 425 CA LEU A 28 0.094 20.655 -1.008 1.00 0.00 C ATOM 426 C LEU A 28 0.896 19.375 -0.792 1.00 0.00 C ATOM 427 O LEU A 28 1.521 19.187 0.254 1.00 0.00 O ATOM 428 CB LEU A 28 -1.349 20.505 -0.537 1.00 0.00 C ATOM 429 CG LEU A 28 -2.051 21.830 -0.257 1.00 0.00 C ATOM 430 CD1 LEU A 28 -3.540 21.641 -0.042 1.00 0.00 C ATOM 431 CD2 LEU A 28 -1.442 22.469 0.960 1.00 0.00 C ATOM 0 H LEU A 28 -0.740 20.930 -2.926 1.00 0.00 H new ATOM 0 HA LEU A 28 0.552 21.441 -0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.913 19.960 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.364 19.899 0.369 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.919 22.474 -1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.005 22.607 0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.983 21.200 -0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.704 20.980 0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.942 23.416 1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.560 21.806 1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.381 22.649 0.784 1.00 0.00 H new ATOM 443 N ILE A 29 0.878 18.507 -1.792 1.00 0.00 N ATOM 444 CA ILE A 29 1.711 17.314 -1.801 1.00 0.00 C ATOM 445 C ILE A 29 3.197 17.682 -1.853 1.00 0.00 C ATOM 446 O ILE A 29 3.985 17.165 -1.104 1.00 0.00 O ATOM 447 CB ILE A 29 1.388 16.444 -3.014 1.00 0.00 C ATOM 448 CG1 ILE A 29 -0.098 16.190 -3.095 1.00 0.00 C ATOM 449 CG2 ILE A 29 2.110 15.125 -2.919 1.00 0.00 C ATOM 450 CD1 ILE A 29 -0.545 15.754 -4.451 1.00 0.00 C ATOM 0 H ILE A 29 0.288 18.609 -2.618 1.00 0.00 H new ATOM 0 HA ILE A 29 1.503 16.766 -0.882 1.00 0.00 H new ATOM 0 HB ILE A 29 1.715 16.972 -3.910 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.370 15.426 -2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.632 17.099 -2.818 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.870 14.515 -3.790 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.185 15.300 -2.884 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.798 14.604 -2.014 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.622 15.588 -4.443 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.302 16.527 -5.180 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.037 14.828 -4.721 1.00 0.00 H new ATOM 462 N GLN A 30 3.530 18.636 -2.711 1.00 0.00 N ATOM 463 CA GLN A 30 4.922 19.028 -3.014 1.00 0.00 C ATOM 464 C GLN A 30 5.696 19.338 -1.747 1.00 0.00 C ATOM 465 O GLN A 30 6.863 18.977 -1.612 1.00 0.00 O ATOM 466 CB GLN A 30 4.951 20.290 -3.906 1.00 0.00 C ATOM 467 CG GLN A 30 4.222 20.161 -5.204 1.00 0.00 C ATOM 468 CD GLN A 30 4.566 18.887 -5.953 1.00 0.00 C ATOM 469 OE1 GLN A 30 5.513 18.848 -6.739 1.00 0.00 O ATOM 470 NE2 GLN A 30 3.792 17.848 -5.724 1.00 0.00 N ATOM 0 H GLN A 30 2.838 19.175 -3.231 1.00 0.00 H new ATOM 0 HA GLN A 30 5.382 18.186 -3.530 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.523 21.122 -3.347 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.990 20.546 -4.114 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.149 20.187 -5.016 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.456 21.020 -5.833 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.018 17.924 -5.064 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.966 16.966 -6.206 1.00 0.00 H new ATOM 479 N LYS A 31 5.035 20.011 -0.829 1.00 0.00 N ATOM 480 CA LYS A 31 5.651 20.405 0.424 1.00 0.00 C ATOM 481 C LYS A 31 5.908 19.192 1.301 1.00 0.00 C ATOM 482 O LYS A 31 6.870 19.152 2.067 1.00 0.00 O ATOM 483 CB LYS A 31 4.767 21.389 1.163 1.00 0.00 C ATOM 484 CG LYS A 31 4.755 22.800 0.566 1.00 0.00 C ATOM 485 CD LYS A 31 4.001 22.869 -0.756 1.00 0.00 C ATOM 486 CE LYS A 31 4.929 22.819 -1.964 1.00 0.00 C ATOM 487 NZ LYS A 31 5.437 24.165 -2.336 1.00 0.00 N ATOM 0 H LYS A 31 4.062 20.300 -0.927 1.00 0.00 H new ATOM 0 HA LYS A 31 6.604 20.883 0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.747 21.004 1.176 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.098 21.449 2.200 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.298 23.488 1.277 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.781 23.135 0.413 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.295 22.041 -0.811 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.417 23.789 -0.789 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.771 22.162 -1.747 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.397 22.386 -2.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.064 24.083 -3.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.636 24.786 -2.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.967 24.569 -1.538 1.00 0.00 H new ATOM 501 N GLY A 32 5.046 18.199 1.166 1.00 0.00 N ATOM 502 CA GLY A 32 5.081 17.060 2.047 1.00 0.00 C ATOM 503 C GLY A 32 5.058 15.733 1.301 1.00 0.00 C ATOM 504 O GLY A 32 4.492 14.756 1.782 1.00 0.00 O ATOM 0 H GLY A 32 4.317 18.165 0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.980 17.110 2.662 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.228 17.105 2.725 1.00 0.00 H new ATOM 508 N LYS A 33 5.670 15.708 0.126 1.00 0.00 N ATOM 509 CA LYS A 33 5.511 14.600 -0.815 1.00 0.00 C ATOM 510 C LYS A 33 6.351 13.385 -0.443 1.00 0.00 C ATOM 511 O LYS A 33 5.930 12.239 -0.587 1.00 0.00 O ATOM 512 CB LYS A 33 5.919 15.082 -2.191 1.00 0.00 C ATOM 513 CG LYS A 33 7.265 15.746 -2.198 1.00 0.00 C ATOM 514 CD LYS A 33 7.701 16.130 -3.584 1.00 0.00 C ATOM 515 CE LYS A 33 8.040 14.907 -4.422 1.00 0.00 C ATOM 516 NZ LYS A 33 8.566 15.283 -5.757 1.00 0.00 N ATOM 0 H LYS A 33 6.288 16.449 -0.204 1.00 0.00 H new ATOM 0 HA LYS A 33 4.467 14.287 -0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.932 14.236 -2.878 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.171 15.783 -2.562 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.233 16.636 -1.569 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.002 15.073 -1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.908 16.698 -4.071 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.571 16.784 -3.525 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.779 14.301 -3.898 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.149 14.291 -4.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.785 14.423 -6.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.851 15.840 -6.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.430 15.850 -5.642 1.00 0.00 H new ATOM 530 N ASP A 34 7.533 13.662 0.058 1.00 0.00 N ATOM 531 CA ASP A 34 8.582 12.660 0.191 1.00 0.00 C ATOM 532 C ASP A 34 8.619 12.058 1.585 1.00 0.00 C ATOM 533 O ASP A 34 9.667 11.986 2.224 1.00 0.00 O ATOM 534 CB ASP A 34 9.936 13.291 -0.149 1.00 0.00 C ATOM 535 CG ASP A 34 10.179 14.592 0.595 1.00 0.00 C ATOM 536 OD1 ASP A 34 9.518 15.602 0.268 1.00 0.00 O ATOM 537 OD2 ASP A 34 11.049 14.626 1.490 1.00 0.00 O ATOM 0 H ASP A 34 7.801 14.589 0.388 1.00 0.00 H new ATOM 0 HA ASP A 34 8.365 11.850 -0.505 1.00 0.00 H new ATOM 0 HB2 ASP A 34 10.732 12.586 0.091 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.987 13.476 -1.222 1.00 0.00 H new ATOM 542 N ILE A 35 7.468 11.608 2.046 1.00 0.00 N ATOM 543 CA ILE A 35 7.375 10.938 3.329 1.00 0.00 C ATOM 544 C ILE A 35 7.791 9.472 3.203 1.00 0.00 C ATOM 545 O ILE A 35 7.172 8.698 2.471 1.00 0.00 O ATOM 546 CB ILE A 35 5.950 11.022 3.897 1.00 0.00 C ATOM 547 CG1 ILE A 35 5.444 12.453 3.815 1.00 0.00 C ATOM 548 CG2 ILE A 35 5.937 10.560 5.346 1.00 0.00 C ATOM 549 CD1 ILE A 35 6.307 13.402 4.587 1.00 0.00 C ATOM 0 H ILE A 35 6.581 11.695 1.549 1.00 0.00 H new ATOM 0 HA ILE A 35 8.054 11.445 4.015 1.00 0.00 H new ATOM 0 HB ILE A 35 5.299 10.375 3.309 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.407 12.765 2.771 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.424 12.499 4.197 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.922 10.623 5.739 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.284 9.528 5.402 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.595 11.197 5.937 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.906 14.412 4.499 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.323 13.108 5.636 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.321 13.378 4.188 1.00 0.00 H new ATOM 561 N LYS A 36 8.857 9.102 3.899 1.00 0.00 N ATOM 562 CA LYS A 36 9.374 7.737 3.866 1.00 0.00 C ATOM 563 C LYS A 36 8.945 7.016 5.144 1.00 0.00 C ATOM 564 O LYS A 36 9.384 7.369 6.238 1.00 0.00 O ATOM 565 CB LYS A 36 10.907 7.749 3.777 1.00 0.00 C ATOM 566 CG LYS A 36 11.497 8.764 2.796 1.00 0.00 C ATOM 567 CD LYS A 36 11.406 8.326 1.335 1.00 0.00 C ATOM 568 CE LYS A 36 10.043 8.605 0.719 1.00 0.00 C ATOM 569 NZ LYS A 36 10.077 8.510 -0.766 1.00 0.00 N ATOM 0 H LYS A 36 9.387 9.734 4.500 1.00 0.00 H new ATOM 0 HA LYS A 36 8.977 7.222 2.991 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.311 7.951 4.769 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.246 6.753 3.491 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.978 9.715 2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.543 8.937 3.050 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.173 8.842 0.757 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.619 7.259 1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.315 7.896 1.112 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.709 9.600 1.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.143 8.217 -1.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.322 9.437 -1.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.790 7.809 -1.053 1.00 0.00 H new ATOM 583 N GLY A 37 8.079 6.027 5.005 1.00 0.00 N ATOM 584 CA GLY A 37 7.593 5.295 6.158 1.00 0.00 C ATOM 585 C GLY A 37 7.986 3.832 6.113 1.00 0.00 C ATOM 586 O GLY A 37 8.873 3.447 5.355 1.00 0.00 O ATOM 0 H GLY A 37 7.701 5.715 4.111 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.988 5.748 7.067 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.507 5.377 6.207 1.00 0.00 H new ATOM 590 N VAL A 38 7.322 3.009 6.913 1.00 0.00 N ATOM 591 CA VAL A 38 7.653 1.593 6.996 1.00 0.00 C ATOM 592 C VAL A 38 6.385 0.776 6.818 1.00 0.00 C ATOM 593 O VAL A 38 5.303 1.255 7.136 1.00 0.00 O ATOM 594 CB VAL A 38 8.307 1.238 8.359 1.00 0.00 C ATOM 595 CG1 VAL A 38 8.809 -0.186 8.388 1.00 0.00 C ATOM 596 CG2 VAL A 38 9.418 2.207 8.706 1.00 0.00 C ATOM 0 H VAL A 38 6.550 3.298 7.514 1.00 0.00 H new ATOM 0 HA VAL A 38 8.370 1.363 6.208 1.00 0.00 H new ATOM 0 HB VAL A 38 7.530 1.328 9.118 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.259 -0.393 9.359 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.976 -0.869 8.221 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.555 -0.325 7.605 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.855 1.931 9.666 1.00 0.00 H new ATOM 0 HG22 VAL A 38 10.186 2.171 7.934 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.013 3.217 8.769 1.00 0.00 H new ATOM 606 N SER A 39 6.499 -0.420 6.277 1.00 0.00 N ATOM 607 CA SER A 39 5.360 -1.321 6.240 1.00 0.00 C ATOM 608 C SER A 39 5.724 -2.686 6.819 1.00 0.00 C ATOM 609 O SER A 39 6.562 -3.396 6.283 1.00 0.00 O ATOM 610 CB SER A 39 4.823 -1.454 4.811 1.00 0.00 C ATOM 611 OG SER A 39 5.868 -1.615 3.864 1.00 0.00 O ATOM 0 H SER A 39 7.355 -0.789 5.862 1.00 0.00 H new ATOM 0 HA SER A 39 4.570 -0.897 6.860 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.148 -2.308 4.755 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.239 -0.569 4.559 1.00 0.00 H new ATOM 0 HG SER A 39 6.650 -2.010 4.303 1.00 0.00 H new ATOM 617 N GLU A 40 5.047 -3.061 7.890 1.00 0.00 N ATOM 618 CA GLU A 40 5.317 -4.299 8.584 1.00 0.00 C ATOM 619 C GLU A 40 4.121 -5.232 8.463 1.00 0.00 C ATOM 620 O GLU A 40 3.024 -4.891 8.874 1.00 0.00 O ATOM 621 CB GLU A 40 5.588 -4.026 10.059 1.00 0.00 C ATOM 622 CG GLU A 40 6.555 -2.913 10.342 1.00 0.00 C ATOM 623 CD GLU A 40 5.894 -1.566 10.567 1.00 0.00 C ATOM 624 OE1 GLU A 40 5.506 -1.290 11.723 1.00 0.00 O ATOM 625 OE2 GLU A 40 5.780 -0.776 9.612 1.00 0.00 O ATOM 0 H GLU A 40 4.293 -2.511 8.301 1.00 0.00 H new ATOM 0 HA GLU A 40 6.194 -4.765 8.134 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.642 -3.795 10.548 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.968 -4.940 10.516 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.142 -3.170 11.224 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.252 -2.830 9.508 1.00 0.00 H new ATOM 632 N ILE A 41 4.334 -6.417 7.951 1.00 0.00 N ATOM 633 CA ILE A 41 3.226 -7.298 7.617 1.00 0.00 C ATOM 634 C ILE A 41 3.325 -8.637 8.339 1.00 0.00 C ATOM 635 O ILE A 41 4.400 -9.198 8.482 1.00 0.00 O ATOM 636 CB ILE A 41 3.158 -7.536 6.109 1.00 0.00 C ATOM 637 CG1 ILE A 41 2.982 -6.206 5.383 1.00 0.00 C ATOM 638 CG2 ILE A 41 2.002 -8.462 5.790 1.00 0.00 C ATOM 639 CD1 ILE A 41 3.164 -6.304 3.888 1.00 0.00 C ATOM 0 H ILE A 41 5.258 -6.800 7.754 1.00 0.00 H new ATOM 0 HA ILE A 41 2.315 -6.799 7.947 1.00 0.00 H new ATOM 0 HB ILE A 41 4.086 -8.000 5.775 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.987 -5.815 5.594 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.698 -5.487 5.781 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.956 -8.630 4.714 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.147 -9.414 6.300 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.069 -8.009 6.127 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.024 -5.321 3.439 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.169 -6.664 3.667 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.431 -6.998 3.477 1.00 0.00 H new ATOM 651 N VAL A 42 2.201 -9.109 8.834 1.00 0.00 N ATOM 652 CA VAL A 42 2.100 -10.431 9.416 1.00 0.00 C ATOM 653 C VAL A 42 1.279 -11.313 8.486 1.00 0.00 C ATOM 654 O VAL A 42 0.111 -11.012 8.220 1.00 0.00 O ATOM 655 CB VAL A 42 1.442 -10.388 10.808 1.00 0.00 C ATOM 656 CG1 VAL A 42 1.272 -11.792 11.367 1.00 0.00 C ATOM 657 CG2 VAL A 42 2.274 -9.537 11.749 1.00 0.00 C ATOM 0 H VAL A 42 1.327 -8.584 8.844 1.00 0.00 H new ATOM 0 HA VAL A 42 3.105 -10.836 9.538 1.00 0.00 H new ATOM 0 HB VAL A 42 0.453 -9.941 10.712 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.805 -11.738 12.351 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.641 -12.376 10.698 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.248 -12.270 11.454 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.801 -9.512 12.731 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.273 -9.963 11.838 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.346 -8.523 11.355 1.00 0.00 H new ATOM 667 N HIS A 43 1.869 -12.381 7.974 1.00 0.00 N ATOM 668 CA HIS A 43 1.154 -13.227 7.042 1.00 0.00 C ATOM 669 C HIS A 43 0.543 -14.422 7.766 1.00 0.00 C ATOM 670 O HIS A 43 1.239 -15.298 8.278 1.00 0.00 O ATOM 671 CB HIS A 43 2.069 -13.668 5.882 1.00 0.00 C ATOM 672 CG HIS A 43 1.418 -14.624 4.922 1.00 0.00 C ATOM 673 ND1 HIS A 43 2.121 -15.565 4.202 1.00 0.00 N ATOM 674 CD2 HIS A 43 0.120 -14.776 4.568 1.00 0.00 C ATOM 675 CE1 HIS A 43 1.284 -16.258 3.453 1.00 0.00 C ATOM 676 NE2 HIS A 43 0.061 -15.800 3.654 1.00 0.00 N ATOM 0 H HIS A 43 2.822 -12.676 8.184 1.00 0.00 H new ATOM 0 HA HIS A 43 0.338 -12.650 6.607 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.396 -12.784 5.334 1.00 0.00 H new ATOM 0 HB3 HIS A 43 2.963 -14.136 6.295 1.00 0.00 H new ATOM 0 HD1 HIS A 43 3.131 -15.704 4.242 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.715 -14.199 4.936 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.554 -17.064 2.787 1.00 0.00 H new ATOM 685 N GLU A 44 -0.776 -14.419 7.793 1.00 0.00 N ATOM 686 CA GLU A 44 -1.582 -15.500 8.326 1.00 0.00 C ATOM 687 C GLU A 44 -2.399 -16.056 7.173 1.00 0.00 C ATOM 688 O GLU A 44 -2.748 -15.299 6.272 1.00 0.00 O ATOM 689 CB GLU A 44 -2.502 -14.984 9.431 1.00 0.00 C ATOM 690 CG GLU A 44 -3.188 -16.068 10.230 1.00 0.00 C ATOM 691 CD GLU A 44 -2.231 -16.841 11.110 1.00 0.00 C ATOM 692 OE1 GLU A 44 -1.927 -16.368 12.224 1.00 0.00 O ATOM 693 OE2 GLU A 44 -1.787 -17.929 10.698 1.00 0.00 O ATOM 0 H GLU A 44 -1.332 -13.642 7.435 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.951 -16.275 8.762 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.920 -14.362 10.111 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.262 -14.343 8.984 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.964 -15.620 10.851 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.684 -16.758 9.547 1.00 0.00 H new ATOM 700 N GLY A 45 -2.607 -17.369 7.146 1.00 0.00 N ATOM 701 CA GLY A 45 -3.396 -17.986 6.088 1.00 0.00 C ATOM 702 C GLY A 45 -4.661 -17.206 5.764 1.00 0.00 C ATOM 703 O GLY A 45 -5.650 -17.299 6.486 1.00 0.00 O ATOM 0 H GLY A 45 -2.242 -18.021 7.840 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.786 -18.070 5.188 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.666 -18.999 6.386 1.00 0.00 H new ATOM 707 N LYS A 46 -4.595 -16.441 4.668 1.00 0.00 N ATOM 708 CA LYS A 46 -5.659 -15.531 4.197 1.00 0.00 C ATOM 709 C LYS A 46 -5.682 -14.216 4.970 1.00 0.00 C ATOM 710 O LYS A 46 -6.017 -13.179 4.406 1.00 0.00 O ATOM 711 CB LYS A 46 -7.049 -16.157 4.209 1.00 0.00 C ATOM 712 CG LYS A 46 -7.071 -17.591 3.729 1.00 0.00 C ATOM 713 CD LYS A 46 -8.479 -18.135 3.641 1.00 0.00 C ATOM 714 CE LYS A 46 -9.152 -18.063 4.988 1.00 0.00 C ATOM 715 NZ LYS A 46 -9.984 -19.265 5.257 1.00 0.00 N ATOM 0 H LYS A 46 -3.775 -16.434 4.061 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.401 -15.326 3.158 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.448 -16.116 5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.712 -15.562 3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.596 -17.653 2.750 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.484 -18.210 4.408 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.052 -17.565 2.910 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.456 -19.168 3.293 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.396 -17.963 5.767 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.777 -17.171 5.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.429 -19.177 6.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.722 -19.347 4.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.384 -20.114 5.238 1.00 0.00 H new ATOM 729 N LYS A 47 -5.315 -14.248 6.242 1.00 0.00 N ATOM 730 CA LYS A 47 -5.351 -13.038 7.067 1.00 0.00 C ATOM 731 C LYS A 47 -4.022 -12.304 6.998 1.00 0.00 C ATOM 732 O LYS A 47 -3.019 -12.757 7.543 1.00 0.00 O ATOM 733 CB LYS A 47 -5.662 -13.343 8.542 1.00 0.00 C ATOM 734 CG LYS A 47 -6.940 -14.098 8.792 1.00 0.00 C ATOM 735 CD LYS A 47 -6.786 -15.579 8.538 1.00 0.00 C ATOM 736 CE LYS A 47 -8.135 -16.257 8.498 1.00 0.00 C ATOM 737 NZ LYS A 47 -8.803 -16.249 9.825 1.00 0.00 N ATOM 0 H LYS A 47 -4.992 -15.085 6.726 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.151 -12.417 6.665 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.834 -13.917 8.959 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.704 -12.401 9.089 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.259 -13.939 9.822 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.726 -13.701 8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.265 -15.739 7.594 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.172 -16.025 9.320 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.771 -15.755 7.769 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.013 -17.286 8.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.710 -16.754 9.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.193 -16.721 10.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.974 -15.267 10.122 1.00 0.00 H new ATOM 751 N VAL A 48 -4.008 -11.169 6.334 1.00 0.00 N ATOM 752 CA VAL A 48 -2.798 -10.383 6.230 1.00 0.00 C ATOM 753 C VAL A 48 -2.920 -9.096 7.029 1.00 0.00 C ATOM 754 O VAL A 48 -3.858 -8.315 6.849 1.00 0.00 O ATOM 755 CB VAL A 48 -2.457 -10.077 4.760 1.00 0.00 C ATOM 756 CG1 VAL A 48 -1.385 -9.008 4.649 1.00 0.00 C ATOM 757 CG2 VAL A 48 -2.028 -11.352 4.052 1.00 0.00 C ATOM 0 H VAL A 48 -4.818 -10.771 5.859 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.982 -10.972 6.649 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.352 -9.688 4.275 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.169 -8.817 3.598 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.737 -8.090 5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.479 -9.348 5.150 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.788 -11.128 3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.148 -11.764 4.546 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.839 -12.079 4.089 1.00 0.00 H new ATOM 767 N LYS A 49 -1.979 -8.901 7.937 1.00 0.00 N ATOM 768 CA LYS A 49 -1.941 -7.711 8.749 1.00 0.00 C ATOM 769 C LYS A 49 -0.803 -6.833 8.280 1.00 0.00 C ATOM 770 O LYS A 49 0.347 -7.251 8.271 1.00 0.00 O ATOM 771 CB LYS A 49 -1.726 -8.089 10.197 1.00 0.00 C ATOM 772 CG LYS A 49 -2.605 -9.229 10.665 1.00 0.00 C ATOM 773 CD LYS A 49 -2.136 -9.799 11.993 1.00 0.00 C ATOM 774 CE LYS A 49 -2.954 -11.019 12.387 1.00 0.00 C ATOM 775 NZ LYS A 49 -2.506 -11.605 13.676 1.00 0.00 N ATOM 0 H LYS A 49 -1.227 -9.563 8.127 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.885 -7.173 8.658 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.681 -8.365 10.340 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.914 -7.217 10.823 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.632 -8.878 10.763 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.608 -10.018 9.912 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.083 -10.071 11.923 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.218 -9.037 12.768 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.005 -10.740 12.463 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.880 -11.772 11.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.092 -12.433 13.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.511 -11.896 13.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.601 -10.896 14.431 1.00 0.00 H new ATOM 789 N LEU A 50 -1.128 -5.625 7.915 1.00 0.00 N ATOM 790 CA LEU A 50 -0.162 -4.704 7.352 1.00 0.00 C ATOM 791 C LEU A 50 -0.030 -3.514 8.260 1.00 0.00 C ATOM 792 O LEU A 50 -1.020 -2.905 8.646 1.00 0.00 O ATOM 793 CB LEU A 50 -0.619 -4.269 5.959 1.00 0.00 C ATOM 794 CG LEU A 50 0.469 -3.893 4.955 1.00 0.00 C ATOM 795 CD1 LEU A 50 -0.158 -3.456 3.653 1.00 0.00 C ATOM 796 CD2 LEU A 50 1.357 -2.815 5.499 1.00 0.00 C ATOM 0 H LEU A 50 -2.070 -5.244 7.997 1.00 0.00 H new ATOM 0 HA LEU A 50 0.809 -5.191 7.261 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.211 -5.077 5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.284 -3.413 6.073 1.00 0.00 H new ATOM 0 HG LEU A 50 1.086 -4.773 4.773 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.625 -3.190 2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.755 -4.271 3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.797 -2.591 3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.122 -2.568 4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.762 -1.928 5.716 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.834 -3.164 6.415 1.00 0.00 H new ATOM 808 N THR A 51 1.181 -3.196 8.632 1.00 0.00 N ATOM 809 CA THR A 51 1.406 -2.012 9.389 1.00 0.00 C ATOM 810 C THR A 51 2.142 -1.043 8.503 1.00 0.00 C ATOM 811 O THR A 51 3.168 -1.375 7.957 1.00 0.00 O ATOM 812 CB THR A 51 2.230 -2.319 10.659 1.00 0.00 C ATOM 813 OG1 THR A 51 1.751 -3.536 11.251 1.00 0.00 O ATOM 814 CG2 THR A 51 2.117 -1.188 11.670 1.00 0.00 C ATOM 0 H THR A 51 2.017 -3.741 8.421 1.00 0.00 H new ATOM 0 HA THR A 51 0.457 -1.587 9.717 1.00 0.00 H new ATOM 0 HB THR A 51 3.277 -2.424 10.376 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.073 -4.302 10.731 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.707 -1.430 12.554 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.490 -0.265 11.227 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.073 -1.057 11.955 1.00 0.00 H new ATOM 822 N ILE A 52 1.608 0.128 8.321 1.00 0.00 N ATOM 823 CA ILE A 52 2.235 1.103 7.481 1.00 0.00 C ATOM 824 C ILE A 52 2.380 2.380 8.268 1.00 0.00 C ATOM 825 O ILE A 52 1.418 2.959 8.748 1.00 0.00 O ATOM 826 CB ILE A 52 1.402 1.276 6.194 1.00 0.00 C ATOM 827 CG1 ILE A 52 1.927 0.383 5.081 1.00 0.00 C ATOM 828 CG2 ILE A 52 1.343 2.716 5.751 1.00 0.00 C ATOM 829 CD1 ILE A 52 1.165 0.566 3.795 1.00 0.00 C ATOM 0 H ILE A 52 0.733 0.432 8.747 1.00 0.00 H new ATOM 0 HA ILE A 52 3.231 0.788 7.170 1.00 0.00 H new ATOM 0 HB ILE A 52 0.382 0.968 6.425 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.981 0.601 4.910 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.863 -0.659 5.394 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.747 2.793 4.842 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.887 3.320 6.536 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.352 3.078 5.555 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.577 -0.093 3.031 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.115 0.322 3.956 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.251 1.602 3.466 1.00 0.00 H new ATOM 841 N THR A 53 3.601 2.797 8.406 1.00 0.00 N ATOM 842 CA THR A 53 3.939 3.891 9.258 1.00 0.00 C ATOM 843 C THR A 53 4.144 5.135 8.407 1.00 0.00 C ATOM 844 O THR A 53 4.892 5.119 7.431 1.00 0.00 O ATOM 845 CB THR A 53 5.233 3.533 10.016 1.00 0.00 C ATOM 846 OG1 THR A 53 5.066 2.288 10.719 1.00 0.00 O ATOM 847 CG2 THR A 53 5.612 4.620 10.990 1.00 0.00 C ATOM 0 H THR A 53 4.398 2.382 7.924 1.00 0.00 H new ATOM 0 HA THR A 53 3.143 4.086 9.976 1.00 0.00 H new ATOM 0 HB THR A 53 6.035 3.433 9.284 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.893 2.068 11.196 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.528 4.340 11.510 1.00 0.00 H new ATOM 0 HG22 THR A 53 5.772 5.553 10.450 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.810 4.754 11.716 1.00 0.00 H new ATOM 855 N TYR A 54 3.471 6.195 8.785 1.00 0.00 N ATOM 856 CA TYR A 54 3.591 7.474 8.126 1.00 0.00 C ATOM 857 C TYR A 54 4.302 8.395 9.094 1.00 0.00 C ATOM 858 O TYR A 54 4.332 8.099 10.284 1.00 0.00 O ATOM 859 CB TYR A 54 2.191 7.996 7.756 1.00 0.00 C ATOM 860 CG TYR A 54 2.154 9.408 7.212 1.00 0.00 C ATOM 861 CD1 TYR A 54 2.310 9.661 5.856 1.00 0.00 C ATOM 862 CD2 TYR A 54 1.944 10.485 8.060 1.00 0.00 C ATOM 863 CE1 TYR A 54 2.267 10.950 5.363 1.00 0.00 C ATOM 864 CE2 TYR A 54 1.901 11.778 7.576 1.00 0.00 C ATOM 865 CZ TYR A 54 2.060 12.004 6.226 1.00 0.00 C ATOM 866 OH TYR A 54 2.017 13.290 5.737 1.00 0.00 O ATOM 0 H TYR A 54 2.817 6.194 9.568 1.00 0.00 H new ATOM 0 HA TYR A 54 4.158 7.407 7.198 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.755 7.326 7.015 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.557 7.948 8.641 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.467 8.837 5.176 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.812 10.310 9.117 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.395 11.131 4.306 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.744 12.606 8.251 1.00 0.00 H new ATOM 0 HH TYR A 54 1.862 13.916 6.475 1.00 0.00 H new ATOM 876 N GLY A 55 4.922 9.452 8.584 1.00 0.00 N ATOM 877 CA GLY A 55 5.663 10.369 9.432 1.00 0.00 C ATOM 878 C GLY A 55 4.935 10.710 10.728 1.00 0.00 C ATOM 879 O GLY A 55 3.990 11.500 10.719 1.00 0.00 O ATOM 0 H GLY A 55 4.925 9.692 7.593 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.632 9.930 9.672 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.857 11.288 8.879 1.00 0.00 H new ATOM 883 N SER A 56 5.369 10.062 11.818 1.00 0.00 N ATOM 884 CA SER A 56 4.841 10.272 13.173 1.00 0.00 C ATOM 885 C SER A 56 3.576 9.439 13.454 1.00 0.00 C ATOM 886 O SER A 56 3.252 9.177 14.613 1.00 0.00 O ATOM 887 CB SER A 56 4.570 11.760 13.443 1.00 0.00 C ATOM 888 OG SER A 56 4.308 11.998 14.817 1.00 0.00 O ATOM 0 H SER A 56 6.111 9.364 11.782 1.00 0.00 H new ATOM 0 HA SER A 56 5.616 9.926 13.858 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.430 12.351 13.127 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.720 12.091 12.846 1.00 0.00 H new ATOM 0 HG SER A 56 4.141 12.953 14.957 1.00 0.00 H new ATOM 894 N LYS A 57 2.869 9.010 12.417 1.00 0.00 N ATOM 895 CA LYS A 57 1.594 8.327 12.609 1.00 0.00 C ATOM 896 C LYS A 57 1.514 7.031 11.789 1.00 0.00 C ATOM 897 O LYS A 57 1.636 7.050 10.574 1.00 0.00 O ATOM 898 CB LYS A 57 0.458 9.294 12.258 1.00 0.00 C ATOM 899 CG LYS A 57 -0.892 8.912 12.817 1.00 0.00 C ATOM 900 CD LYS A 57 -1.631 7.925 11.932 1.00 0.00 C ATOM 901 CE LYS A 57 -2.033 8.551 10.619 1.00 0.00 C ATOM 902 NZ LYS A 57 -2.754 9.844 10.796 1.00 0.00 N ATOM 0 H LYS A 57 3.152 9.121 11.443 1.00 0.00 H new ATOM 0 HA LYS A 57 1.500 8.029 13.653 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.719 10.287 12.623 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.380 9.363 11.173 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.761 8.478 13.808 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.498 9.810 12.939 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.997 7.058 11.744 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.519 7.564 12.451 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.143 8.716 10.012 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.669 7.857 10.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.253 10.087 9.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.442 9.755 11.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.071 10.594 11.024 1.00 0.00 H new ATOM 916 N VAL A 58 1.275 5.913 12.470 1.00 0.00 N ATOM 917 CA VAL A 58 1.217 4.601 11.841 1.00 0.00 C ATOM 918 C VAL A 58 -0.212 4.184 11.563 1.00 0.00 C ATOM 919 O VAL A 58 -1.102 4.286 12.409 1.00 0.00 O ATOM 920 CB VAL A 58 1.895 3.547 12.736 1.00 0.00 C ATOM 921 CG1 VAL A 58 2.032 2.212 12.026 1.00 0.00 C ATOM 922 CG2 VAL A 58 3.236 4.049 13.208 1.00 0.00 C ATOM 0 H VAL A 58 1.116 5.894 13.477 1.00 0.00 H new ATOM 0 HA VAL A 58 1.748 4.668 10.891 1.00 0.00 H new ATOM 0 HB VAL A 58 1.258 3.384 13.605 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.515 1.495 12.690 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.044 1.843 11.750 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.636 2.338 11.127 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.705 3.295 13.840 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.874 4.248 12.347 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.100 4.967 13.779 1.00 0.00 H new ATOM 932 N ILE A 59 -0.403 3.721 10.346 1.00 0.00 N ATOM 933 CA ILE A 59 -1.675 3.345 9.835 1.00 0.00 C ATOM 934 C ILE A 59 -1.666 1.846 9.486 1.00 0.00 C ATOM 935 O ILE A 59 -0.901 1.371 8.648 1.00 0.00 O ATOM 936 CB ILE A 59 -1.989 4.271 8.645 1.00 0.00 C ATOM 937 CG1 ILE A 59 -2.993 5.344 9.062 1.00 0.00 C ATOM 938 CG2 ILE A 59 -2.454 3.494 7.452 1.00 0.00 C ATOM 939 CD1 ILE A 59 -3.179 6.425 8.030 1.00 0.00 C ATOM 0 H ILE A 59 0.356 3.598 9.675 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.473 3.469 10.567 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.069 4.774 8.345 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.955 4.872 9.260 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.661 5.797 9.996 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.666 4.179 6.632 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.676 2.794 7.148 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.359 2.942 7.707 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.905 7.153 8.392 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.226 6.922 7.848 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.540 5.983 7.101 1.00 0.00 H new ATOM 951 N HIS A 60 -2.476 1.107 10.219 1.00 0.00 N ATOM 952 CA HIS A 60 -2.559 -0.354 10.078 1.00 0.00 C ATOM 953 C HIS A 60 -3.637 -0.777 9.071 1.00 0.00 C ATOM 954 O HIS A 60 -4.670 -0.127 8.947 1.00 0.00 O ATOM 955 CB HIS A 60 -2.828 -1.013 11.441 1.00 0.00 C ATOM 956 CG HIS A 60 -4.128 -0.611 12.089 1.00 0.00 C ATOM 957 ND1 HIS A 60 -5.359 -0.854 11.523 1.00 0.00 N ATOM 958 CD2 HIS A 60 -4.377 0.012 13.265 1.00 0.00 C ATOM 959 CE1 HIS A 60 -6.307 -0.400 12.318 1.00 0.00 C ATOM 960 NE2 HIS A 60 -5.741 0.128 13.385 1.00 0.00 N ATOM 0 H HIS A 60 -3.098 1.491 10.930 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.596 -0.694 9.696 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.821 -2.096 11.314 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.009 -0.766 12.117 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -5.514 -1.315 10.626 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.640 0.354 13.977 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -7.369 -0.452 12.127 1.00 0.00 H new ATOM 969 N ASN A 61 -3.387 -1.876 8.353 1.00 0.00 N ATOM 970 CA ASN A 61 -4.320 -2.396 7.343 1.00 0.00 C ATOM 971 C ASN A 61 -4.530 -3.895 7.547 1.00 0.00 C ATOM 972 O ASN A 61 -3.644 -4.692 7.244 1.00 0.00 O ATOM 973 CB ASN A 61 -3.777 -2.195 5.913 1.00 0.00 C ATOM 974 CG ASN A 61 -3.707 -0.752 5.438 1.00 0.00 C ATOM 975 OD1 ASN A 61 -3.535 0.181 6.353 1.00 0.00 O flip ATOM 976 ND2 ASN A 61 -3.817 -0.485 4.241 1.00 0.00 N flip ATOM 0 H ASN A 61 -2.536 -2.430 8.453 1.00 0.00 H new ATOM 0 HA ASN A 61 -5.255 -1.848 7.460 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.778 -2.626 5.858 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -4.405 -2.757 5.222 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -3.949 -1.234 3.561 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -3.776 0.485 3.929 1.00 0.00 H new ATOM 983 N GLU A 62 -5.678 -4.284 8.079 1.00 0.00 N ATOM 984 CA GLU A 62 -5.996 -5.692 8.231 1.00 0.00 C ATOM 985 C GLU A 62 -7.000 -6.132 7.193 1.00 0.00 C ATOM 986 O GLU A 62 -8.069 -5.535 7.048 1.00 0.00 O ATOM 987 CB GLU A 62 -6.553 -5.981 9.615 1.00 0.00 C ATOM 988 CG GLU A 62 -5.572 -5.686 10.717 1.00 0.00 C ATOM 989 CD GLU A 62 -5.354 -4.203 10.937 1.00 0.00 C ATOM 990 OE1 GLU A 62 -6.314 -3.420 10.735 1.00 0.00 O ATOM 991 OE2 GLU A 62 -4.235 -3.813 11.314 1.00 0.00 O ATOM 0 H GLU A 62 -6.401 -3.646 8.411 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.069 -6.249 8.096 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.454 -5.387 9.769 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.849 -7.029 9.670 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.929 -6.136 11.643 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.617 -6.156 10.481 1.00 0.00 H new ATOM 998 N PHE A 63 -6.652 -7.180 6.486 1.00 0.00 N ATOM 999 CA PHE A 63 -7.517 -7.714 5.442 1.00 0.00 C ATOM 1000 C PHE A 63 -7.327 -9.214 5.253 1.00 0.00 C ATOM 1001 O PHE A 63 -6.257 -9.762 5.517 1.00 0.00 O ATOM 1002 CB PHE A 63 -7.292 -6.971 4.120 1.00 0.00 C ATOM 1003 CG PHE A 63 -5.852 -6.793 3.754 1.00 0.00 C ATOM 1004 CD1 PHE A 63 -5.168 -7.781 3.068 1.00 0.00 C ATOM 1005 CD2 PHE A 63 -5.187 -5.629 4.090 1.00 0.00 C ATOM 1006 CE1 PHE A 63 -3.843 -7.611 2.729 1.00 0.00 C ATOM 1007 CE2 PHE A 63 -3.865 -5.454 3.755 1.00 0.00 C ATOM 1008 CZ PHE A 63 -3.191 -6.443 3.072 1.00 0.00 C ATOM 0 H PHE A 63 -5.775 -7.686 6.609 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.546 -7.555 5.763 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.794 -7.515 3.320 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.763 -5.990 4.183 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.677 -8.694 2.796 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.711 -4.849 4.621 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.316 -8.389 2.197 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.355 -4.542 4.027 1.00 0.00 H new ATOM 0 HZ PHE A 63 -2.154 -6.305 2.805 1.00 0.00 H new ATOM 1018 N THR A 64 -8.389 -9.861 4.811 1.00 0.00 N ATOM 1019 CA THR A 64 -8.376 -11.271 4.495 1.00 0.00 C ATOM 1020 C THR A 64 -8.503 -11.430 2.984 1.00 0.00 C ATOM 1021 O THR A 64 -9.300 -10.732 2.361 1.00 0.00 O ATOM 1022 CB THR A 64 -9.549 -11.993 5.189 1.00 0.00 C ATOM 1023 OG1 THR A 64 -9.781 -11.411 6.483 1.00 0.00 O ATOM 1024 CG2 THR A 64 -9.251 -13.473 5.355 1.00 0.00 C ATOM 0 H THR A 64 -9.294 -9.414 4.661 1.00 0.00 H new ATOM 0 HA THR A 64 -7.444 -11.712 4.847 1.00 0.00 H new ATOM 0 HB THR A 64 -10.436 -11.880 4.565 1.00 0.00 H new ATOM 0 HG1 THR A 64 -10.528 -11.871 6.920 1.00 0.00 H new ATOM 0 HG21 THR A 64 -10.093 -13.961 5.847 1.00 0.00 H new ATOM 0 HG22 THR A 64 -9.092 -13.924 4.376 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.354 -13.598 5.962 1.00 0.00 H new ATOM 1032 N LEU A 65 -7.673 -12.279 2.379 1.00 0.00 N ATOM 1033 CA LEU A 65 -7.773 -12.519 0.939 1.00 0.00 C ATOM 1034 C LEU A 65 -9.198 -12.901 0.542 1.00 0.00 C ATOM 1035 O LEU A 65 -9.906 -13.590 1.281 1.00 0.00 O ATOM 1036 CB LEU A 65 -6.758 -13.574 0.452 1.00 0.00 C ATOM 1037 CG LEU A 65 -6.837 -14.983 1.047 1.00 0.00 C ATOM 1038 CD1 LEU A 65 -8.016 -15.733 0.483 1.00 0.00 C ATOM 1039 CD2 LEU A 65 -5.557 -15.743 0.756 1.00 0.00 C ATOM 0 H LEU A 65 -6.937 -12.803 2.852 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.522 -11.582 0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.863 -13.663 -0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.757 -13.187 0.644 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.965 -14.894 2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.054 -16.732 0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.935 -15.198 0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.913 -15.813 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.623 -16.744 1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.415 -15.817 -0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.712 -15.215 1.198 1.00 0.00 H new ATOM 1051 N GLY A 66 -9.609 -12.420 -0.618 1.00 0.00 N ATOM 1052 CA GLY A 66 -10.934 -12.701 -1.121 1.00 0.00 C ATOM 1053 C GLY A 66 -12.004 -11.981 -0.332 1.00 0.00 C ATOM 1054 O GLY A 66 -13.156 -12.414 -0.296 1.00 0.00 O ATOM 0 H GLY A 66 -9.040 -11.832 -1.227 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -10.995 -12.405 -2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.116 -13.775 -1.083 1.00 0.00 H new ATOM 1058 N GLU A 67 -11.629 -10.873 0.295 1.00 0.00 N ATOM 1059 CA GLU A 67 -12.553 -10.121 1.131 1.00 0.00 C ATOM 1060 C GLU A 67 -12.493 -8.637 0.813 1.00 0.00 C ATOM 1061 O GLU A 67 -11.409 -8.085 0.603 1.00 0.00 O ATOM 1062 CB GLU A 67 -12.235 -10.321 2.606 1.00 0.00 C ATOM 1063 CG GLU A 67 -12.545 -11.712 3.120 1.00 0.00 C ATOM 1064 CD GLU A 67 -13.962 -12.149 2.820 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -14.872 -11.290 2.827 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -14.178 -13.357 2.591 1.00 0.00 O ATOM 0 H GLU A 67 -10.691 -10.476 0.240 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.555 -10.494 0.921 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.178 -10.111 2.771 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.799 -9.595 3.191 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.849 -12.422 2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.382 -11.740 4.197 1.00 0.00 H new ATOM 1073 N GLU A 68 -13.650 -7.990 0.761 1.00 0.00 N ATOM 1074 CA GLU A 68 -13.680 -6.540 0.711 1.00 0.00 C ATOM 1075 C GLU A 68 -13.442 -5.991 2.103 1.00 0.00 C ATOM 1076 O GLU A 68 -14.195 -6.259 3.040 1.00 0.00 O ATOM 1077 CB GLU A 68 -14.993 -6.016 0.124 1.00 0.00 C ATOM 1078 CG GLU A 68 -15.364 -4.608 0.575 1.00 0.00 C ATOM 1079 CD GLU A 68 -16.705 -4.155 0.042 1.00 0.00 C ATOM 1080 OE1 GLU A 68 -16.759 -3.662 -1.104 1.00 0.00 O ATOM 1081 OE2 GLU A 68 -17.711 -4.275 0.773 1.00 0.00 O ATOM 0 H GLU A 68 -14.565 -8.440 0.753 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.887 -6.197 0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.922 -6.030 -0.964 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -15.798 -6.697 0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -15.381 -4.573 1.664 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -14.593 -3.911 0.246 1.00 0.00 H new ATOM 1088 N CYS A 69 -12.363 -5.256 2.219 1.00 0.00 N ATOM 1089 CA CYS A 69 -11.927 -4.700 3.484 1.00 0.00 C ATOM 1090 C CYS A 69 -11.544 -3.267 3.283 1.00 0.00 C ATOM 1091 O CYS A 69 -11.339 -2.819 2.151 1.00 0.00 O ATOM 1092 CB CYS A 69 -10.747 -5.482 4.060 1.00 0.00 C ATOM 1093 SG CYS A 69 -10.824 -7.269 3.782 1.00 0.00 S ATOM 0 H CYS A 69 -11.755 -5.023 1.434 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.749 -4.770 4.197 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -9.825 -5.098 3.623 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -10.693 -5.296 5.133 1.00 0.00 H new ATOM 0 HG CYS A 69 -10.908 -7.507 2.507 1.00 0.00 H new ATOM 1099 N GLU A 70 -11.470 -2.546 4.371 1.00 0.00 N ATOM 1100 CA GLU A 70 -11.212 -1.143 4.289 1.00 0.00 C ATOM 1101 C GLU A 70 -9.748 -0.867 4.442 1.00 0.00 C ATOM 1102 O GLU A 70 -9.121 -1.182 5.453 1.00 0.00 O ATOM 1103 CB GLU A 70 -12.026 -0.366 5.299 1.00 0.00 C ATOM 1104 CG GLU A 70 -13.113 0.405 4.624 1.00 0.00 C ATOM 1105 CD GLU A 70 -14.097 1.029 5.589 1.00 0.00 C ATOM 1106 OE1 GLU A 70 -14.964 0.300 6.110 1.00 0.00 O ATOM 1107 OE2 GLU A 70 -14.010 2.251 5.831 1.00 0.00 O ATOM 0 H GLU A 70 -11.585 -2.910 5.317 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.521 -0.804 3.300 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.459 -1.051 6.028 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.377 0.316 5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.666 1.190 4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.651 -0.258 3.946 1.00 0.00 H new ATOM 1114 N LEU A 71 -9.226 -0.282 3.398 1.00 0.00 N ATOM 1115 CA LEU A 71 -7.823 -0.013 3.276 1.00 0.00 C ATOM 1116 C LEU A 71 -7.527 1.379 3.784 1.00 0.00 C ATOM 1117 O LEU A 71 -8.058 2.359 3.262 1.00 0.00 O ATOM 1118 CB LEU A 71 -7.441 -0.119 1.802 1.00 0.00 C ATOM 1119 CG LEU A 71 -7.962 -1.364 1.091 1.00 0.00 C ATOM 1120 CD1 LEU A 71 -7.650 -1.318 -0.394 1.00 0.00 C ATOM 1121 CD2 LEU A 71 -7.340 -2.574 1.722 1.00 0.00 C ATOM 0 H LEU A 71 -9.775 0.026 2.596 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.249 -0.729 3.863 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.815 0.762 1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.354 -0.100 1.721 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.046 -1.409 1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.033 -2.218 -0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.121 -0.441 -0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.571 -1.262 -0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.704 -3.472 1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.256 -2.519 1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.608 -2.612 2.778 1.00 0.00 H new ATOM 1133 N GLU A 72 -6.680 1.468 4.788 1.00 0.00 N ATOM 1134 CA GLU A 72 -6.292 2.751 5.320 1.00 0.00 C ATOM 1135 C GLU A 72 -5.035 3.191 4.616 1.00 0.00 C ATOM 1136 O GLU A 72 -4.013 2.504 4.641 1.00 0.00 O ATOM 1137 CB GLU A 72 -6.071 2.680 6.827 1.00 0.00 C ATOM 1138 CG GLU A 72 -6.047 4.036 7.508 1.00 0.00 C ATOM 1139 CD GLU A 72 -6.076 3.939 9.021 1.00 0.00 C ATOM 1140 OE1 GLU A 72 -5.227 3.236 9.605 1.00 0.00 O ATOM 1141 OE2 GLU A 72 -6.939 4.595 9.639 1.00 0.00 O ATOM 0 H GLU A 72 -6.249 0.667 5.249 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.089 3.474 5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.860 2.074 7.272 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.128 2.169 7.023 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.151 4.575 7.201 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.902 4.621 7.170 1.00 0.00 H new ATOM 1148 N THR A 73 -5.115 4.335 3.993 1.00 0.00 N ATOM 1149 CA THR A 73 -4.063 4.779 3.121 1.00 0.00 C ATOM 1150 C THR A 73 -3.013 5.531 3.911 1.00 0.00 C ATOM 1151 O THR A 73 -3.258 5.884 5.060 1.00 0.00 O ATOM 1152 CB THR A 73 -4.607 5.663 1.984 1.00 0.00 C ATOM 1153 OG1 THR A 73 -5.489 6.663 2.512 1.00 0.00 O ATOM 1154 CG2 THR A 73 -5.336 4.819 0.951 1.00 0.00 C ATOM 0 H THR A 73 -5.902 4.979 4.074 1.00 0.00 H new ATOM 0 HA THR A 73 -3.609 3.897 2.669 1.00 0.00 H new ATOM 0 HB THR A 73 -3.764 6.154 1.498 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.310 6.237 2.836 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.713 5.462 0.156 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.648 4.086 0.529 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.170 4.303 1.426 1.00 0.00 H new ATOM 1162 N MET A 74 -1.862 5.784 3.311 1.00 0.00 N ATOM 1163 CA MET A 74 -0.773 6.455 4.014 1.00 0.00 C ATOM 1164 C MET A 74 -1.235 7.807 4.581 1.00 0.00 C ATOM 1165 O MET A 74 -0.712 8.278 5.590 1.00 0.00 O ATOM 1166 CB MET A 74 0.434 6.669 3.079 1.00 0.00 C ATOM 1167 CG MET A 74 0.181 7.662 1.950 1.00 0.00 C ATOM 1168 SD MET A 74 -1.066 7.095 0.773 1.00 0.00 S ATOM 1169 CE MET A 74 -1.070 8.450 -0.395 1.00 0.00 C ATOM 0 H MET A 74 -1.654 5.538 2.343 1.00 0.00 H new ATOM 0 HA MET A 74 -0.470 5.813 4.841 1.00 0.00 H new ATOM 0 HB2 MET A 74 1.281 7.017 3.671 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.719 5.710 2.647 1.00 0.00 H new ATOM 0 HG2 MET A 74 -0.136 8.614 2.376 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.115 7.846 1.420 1.00 0.00 H new ATOM 0 HE1 MET A 74 -2.089 8.813 -0.527 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.443 9.258 -0.017 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.680 8.106 -1.353 1.00 0.00 H new ATOM 1179 N THR A 75 -2.230 8.414 3.937 1.00 0.00 N ATOM 1180 CA THR A 75 -2.707 9.731 4.332 1.00 0.00 C ATOM 1181 C THR A 75 -3.859 9.659 5.336 1.00 0.00 C ATOM 1182 O THR A 75 -4.225 10.669 5.937 1.00 0.00 O ATOM 1183 CB THR A 75 -3.136 10.550 3.104 1.00 0.00 C ATOM 1184 OG1 THR A 75 -3.791 9.698 2.154 1.00 0.00 O ATOM 1185 CG2 THR A 75 -1.931 11.210 2.457 1.00 0.00 C ATOM 0 H THR A 75 -2.720 8.011 3.138 1.00 0.00 H new ATOM 0 HA THR A 75 -1.871 10.229 4.823 1.00 0.00 H new ATOM 0 HB THR A 75 -3.828 11.327 3.429 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.453 10.217 1.651 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.254 11.786 1.589 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.451 11.875 3.175 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.222 10.444 2.141 1.00 0.00 H new ATOM 1193 N GLY A 76 -4.439 8.478 5.518 1.00 0.00 N ATOM 1194 CA GLY A 76 -5.418 8.309 6.573 1.00 0.00 C ATOM 1195 C GLY A 76 -6.781 7.834 6.111 1.00 0.00 C ATOM 1196 O GLY A 76 -7.534 7.264 6.903 1.00 0.00 O ATOM 0 H GLY A 76 -4.251 7.644 4.961 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.028 7.596 7.299 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.538 9.260 7.093 1.00 0.00 H new ATOM 1200 N GLU A 77 -7.115 8.051 4.848 1.00 0.00 N ATOM 1201 CA GLU A 77 -8.442 7.696 4.359 1.00 0.00 C ATOM 1202 C GLU A 77 -8.562 6.190 4.135 1.00 0.00 C ATOM 1203 O GLU A 77 -7.590 5.526 3.776 1.00 0.00 O ATOM 1204 CB GLU A 77 -8.774 8.448 3.076 1.00 0.00 C ATOM 1205 CG GLU A 77 -10.179 8.171 2.564 1.00 0.00 C ATOM 1206 CD GLU A 77 -11.252 8.552 3.564 1.00 0.00 C ATOM 1207 OE1 GLU A 77 -11.581 7.719 4.433 1.00 0.00 O ATOM 1208 OE2 GLU A 77 -11.770 9.686 3.483 1.00 0.00 O ATOM 0 H GLU A 77 -6.497 8.465 4.150 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.161 7.988 5.124 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.663 9.518 3.251 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.053 8.174 2.306 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.339 8.723 1.638 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.272 7.112 2.324 1.00 0.00 H new ATOM 1215 N LYS A 78 -9.762 5.667 4.354 1.00 0.00 N ATOM 1216 CA LYS A 78 -10.017 4.243 4.261 1.00 0.00 C ATOM 1217 C LYS A 78 -11.038 3.946 3.167 1.00 0.00 C ATOM 1218 O LYS A 78 -12.088 4.589 3.093 1.00 0.00 O ATOM 1219 CB LYS A 78 -10.502 3.682 5.602 1.00 0.00 C ATOM 1220 CG LYS A 78 -11.389 4.622 6.389 1.00 0.00 C ATOM 1221 CD LYS A 78 -10.571 5.680 7.105 1.00 0.00 C ATOM 1222 CE LYS A 78 -9.759 5.087 8.241 1.00 0.00 C ATOM 1223 NZ LYS A 78 -8.967 6.122 8.949 1.00 0.00 N ATOM 0 H LYS A 78 -10.582 6.221 4.601 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.078 3.754 4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -11.047 2.756 5.419 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.634 3.426 6.210 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.101 5.102 5.717 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.970 4.054 7.116 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.902 6.166 6.394 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.235 6.451 7.496 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.427 4.594 8.947 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.089 4.322 7.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.201 5.667 9.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.559 6.782 8.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.584 6.645 9.603 1.00 0.00 H new ATOM 1237 N VAL A 79 -10.726 2.975 2.318 1.00 0.00 N ATOM 1238 CA VAL A 79 -11.599 2.625 1.205 1.00 0.00 C ATOM 1239 C VAL A 79 -11.764 1.117 1.108 1.00 0.00 C ATOM 1240 O VAL A 79 -10.826 0.363 1.355 1.00 0.00 O ATOM 1241 CB VAL A 79 -11.089 3.215 -0.141 1.00 0.00 C ATOM 1242 CG1 VAL A 79 -9.705 3.841 0.006 1.00 0.00 C ATOM 1243 CG2 VAL A 79 -11.085 2.176 -1.248 1.00 0.00 C ATOM 0 H VAL A 79 -9.875 2.416 2.379 1.00 0.00 H new ATOM 0 HA VAL A 79 -12.575 3.069 1.402 1.00 0.00 H new ATOM 0 HB VAL A 79 -11.789 4.002 -0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.383 4.242 -0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.746 4.646 0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.996 3.083 0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.722 2.629 -2.171 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.432 1.349 -0.969 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -12.098 1.803 -1.401 1.00 0.00 H new ATOM 1253 N LYS A 80 -12.968 0.685 0.771 1.00 0.00 N ATOM 1254 CA LYS A 80 -13.251 -0.732 0.629 1.00 0.00 C ATOM 1255 C LYS A 80 -12.835 -1.248 -0.733 1.00 0.00 C ATOM 1256 O LYS A 80 -13.280 -0.746 -1.765 1.00 0.00 O ATOM 1257 CB LYS A 80 -14.731 -1.032 0.821 1.00 0.00 C ATOM 1258 CG LYS A 80 -15.228 -0.784 2.218 1.00 0.00 C ATOM 1259 CD LYS A 80 -16.487 -1.576 2.489 1.00 0.00 C ATOM 1260 CE LYS A 80 -17.100 -1.194 3.817 1.00 0.00 C ATOM 1261 NZ LYS A 80 -18.352 -1.943 4.085 1.00 0.00 N ATOM 0 H LYS A 80 -13.765 1.296 0.591 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.674 -1.235 1.405 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.308 -0.421 0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -14.917 -2.074 0.559 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.457 -1.061 2.937 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.425 0.279 2.355 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.208 -1.402 1.690 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -16.257 -2.641 2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -16.384 -1.386 4.616 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.308 -0.124 3.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.740 -1.652 5.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -19.045 -1.740 3.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -18.150 -2.963 4.102 1.00 0.00 H new ATOM 1275 N ALA A 81 -11.994 -2.259 -0.721 1.00 0.00 N ATOM 1276 CA ALA A 81 -11.589 -2.933 -1.934 1.00 0.00 C ATOM 1277 C ALA A 81 -11.422 -4.418 -1.657 1.00 0.00 C ATOM 1278 O ALA A 81 -11.051 -4.807 -0.547 1.00 0.00 O ATOM 1279 CB ALA A 81 -10.301 -2.327 -2.462 1.00 0.00 C ATOM 0 H ALA A 81 -11.573 -2.636 0.128 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.357 -2.806 -2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.005 -2.842 -3.376 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -10.457 -1.270 -2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.515 -2.434 -1.714 1.00 0.00 H new ATOM 1285 N VAL A 82 -11.704 -5.246 -2.650 1.00 0.00 N ATOM 1286 CA VAL A 82 -11.552 -6.682 -2.497 1.00 0.00 C ATOM 1287 C VAL A 82 -10.162 -7.098 -2.935 1.00 0.00 C ATOM 1288 O VAL A 82 -9.804 -6.988 -4.109 1.00 0.00 O ATOM 1289 CB VAL A 82 -12.608 -7.463 -3.306 1.00 0.00 C ATOM 1290 CG1 VAL A 82 -12.254 -8.942 -3.379 1.00 0.00 C ATOM 1291 CG2 VAL A 82 -13.974 -7.293 -2.685 1.00 0.00 C ATOM 0 H VAL A 82 -12.038 -4.949 -3.567 1.00 0.00 H new ATOM 0 HA VAL A 82 -11.699 -6.921 -1.444 1.00 0.00 H new ATOM 0 HB VAL A 82 -12.622 -7.061 -4.319 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -13.014 -9.470 -3.955 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.285 -9.061 -3.863 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -12.209 -9.356 -2.372 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -14.710 -7.849 -3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -13.958 -7.670 -1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -14.241 -6.236 -2.678 1.00 0.00 H new ATOM 1301 N VAL A 83 -9.376 -7.559 -1.976 1.00 0.00 N ATOM 1302 CA VAL A 83 -8.025 -7.998 -2.260 1.00 0.00 C ATOM 1303 C VAL A 83 -8.002 -9.501 -2.467 1.00 0.00 C ATOM 1304 O VAL A 83 -8.611 -10.259 -1.715 1.00 0.00 O ATOM 1305 CB VAL A 83 -7.007 -7.579 -1.147 1.00 0.00 C ATOM 1306 CG1 VAL A 83 -7.670 -6.729 -0.075 1.00 0.00 C ATOM 1307 CG2 VAL A 83 -6.303 -8.780 -0.531 1.00 0.00 C ATOM 0 H VAL A 83 -9.652 -7.638 -0.997 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.708 -7.499 -3.176 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.245 -6.971 -1.634 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.933 -6.457 0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.077 -5.825 -0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.476 -7.295 0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.607 -8.440 0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -7.042 -9.444 -0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.756 -9.318 -1.305 1.00 0.00 H new ATOM 1317 N LYS A 84 -7.335 -9.916 -3.519 1.00 0.00 N ATOM 1318 CA LYS A 84 -7.094 -11.307 -3.777 1.00 0.00 C ATOM 1319 C LYS A 84 -5.670 -11.621 -3.408 1.00 0.00 C ATOM 1320 O LYS A 84 -4.779 -10.812 -3.665 1.00 0.00 O ATOM 1321 CB LYS A 84 -7.276 -11.584 -5.249 1.00 0.00 C ATOM 1322 CG LYS A 84 -8.699 -11.418 -5.749 1.00 0.00 C ATOM 1323 CD LYS A 84 -9.612 -12.549 -5.334 1.00 0.00 C ATOM 1324 CE LYS A 84 -11.015 -12.278 -5.838 1.00 0.00 C ATOM 1325 NZ LYS A 84 -11.987 -13.313 -5.398 1.00 0.00 N ATOM 0 H LYS A 84 -6.944 -9.289 -4.222 1.00 0.00 H new ATOM 0 HA LYS A 84 -7.788 -11.915 -3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -6.625 -10.917 -5.815 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.947 -12.602 -5.458 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -9.102 -10.478 -5.373 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -8.689 -11.348 -6.837 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -9.245 -13.493 -5.737 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -9.617 -12.647 -4.248 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.343 -11.301 -5.482 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -11.004 -12.234 -6.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.931 -13.082 -5.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -11.691 -14.243 -5.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.020 -13.339 -4.359 1.00 0.00 H new ATOM 1339 N MET A 85 -5.429 -12.763 -2.805 1.00 0.00 N ATOM 1340 CA MET A 85 -4.074 -13.074 -2.452 1.00 0.00 C ATOM 1341 C MET A 85 -3.661 -14.451 -2.933 1.00 0.00 C ATOM 1342 O MET A 85 -4.359 -15.449 -2.760 1.00 0.00 O ATOM 1343 CB MET A 85 -3.842 -12.881 -0.950 1.00 0.00 C ATOM 1344 CG MET A 85 -2.401 -12.564 -0.580 1.00 0.00 C ATOM 1345 SD MET A 85 -1.406 -14.031 -0.260 1.00 0.00 S ATOM 1346 CE MET A 85 -2.181 -14.625 1.239 1.00 0.00 C ATOM 0 H MET A 85 -6.127 -13.464 -2.559 1.00 0.00 H new ATOM 0 HA MET A 85 -3.425 -12.369 -2.972 1.00 0.00 H new ATOM 0 HB2 MET A 85 -4.483 -12.074 -0.595 1.00 0.00 H new ATOM 0 HB3 MET A 85 -4.150 -13.786 -0.426 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.943 -11.993 -1.388 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.392 -11.928 0.305 1.00 0.00 H new ATOM 0 HE1 MET A 85 -1.476 -14.551 2.067 1.00 0.00 H new ATOM 0 HE2 MET A 85 -3.062 -14.021 1.457 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.478 -15.665 1.107 1.00 0.00 H new ATOM 1356 N GLU A 86 -2.502 -14.440 -3.549 1.00 0.00 N ATOM 1357 CA GLU A 86 -1.927 -15.558 -4.260 1.00 0.00 C ATOM 1358 C GLU A 86 -1.263 -16.557 -3.313 1.00 0.00 C ATOM 1359 O GLU A 86 -1.523 -17.759 -3.380 1.00 0.00 O ATOM 1360 CB GLU A 86 -0.962 -14.940 -5.260 1.00 0.00 C ATOM 1361 CG GLU A 86 -0.006 -15.868 -5.979 1.00 0.00 C ATOM 1362 CD GLU A 86 -0.548 -17.255 -6.251 1.00 0.00 C ATOM 1363 OE1 GLU A 86 -1.560 -17.374 -6.972 1.00 0.00 O ATOM 1364 OE2 GLU A 86 0.041 -18.228 -5.743 1.00 0.00 O ATOM 0 H GLU A 86 -1.906 -13.612 -3.569 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.684 -16.152 -4.773 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.550 -14.414 -6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.371 -14.189 -4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.276 -15.411 -6.928 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.904 -15.959 -5.386 1.00 0.00 H new ATOM 1371 N GLY A 87 -0.449 -16.060 -2.406 1.00 0.00 N ATOM 1372 CA GLY A 87 0.286 -16.936 -1.520 1.00 0.00 C ATOM 1373 C GLY A 87 1.770 -16.828 -1.754 1.00 0.00 C ATOM 1374 O GLY A 87 2.545 -16.710 -0.808 1.00 0.00 O ATOM 0 H GLY A 87 -0.281 -15.064 -2.264 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.059 -16.683 -0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.035 -17.966 -1.674 1.00 0.00 H new ATOM 1378 N ASP A 88 2.170 -16.836 -3.025 1.00 0.00 N ATOM 1379 CA ASP A 88 3.566 -16.608 -3.398 1.00 0.00 C ATOM 1380 C ASP A 88 3.860 -15.106 -3.402 1.00 0.00 C ATOM 1381 O ASP A 88 4.475 -14.554 -4.316 1.00 0.00 O ATOM 1382 CB ASP A 88 3.873 -17.240 -4.757 1.00 0.00 C ATOM 1383 CG ASP A 88 5.350 -17.188 -5.094 1.00 0.00 C ATOM 1384 OD1 ASP A 88 6.170 -17.632 -4.263 1.00 0.00 O ATOM 1385 OD2 ASP A 88 5.697 -16.682 -6.183 1.00 0.00 O ATOM 0 H ASP A 88 1.546 -16.998 -3.815 1.00 0.00 H new ATOM 0 HA ASP A 88 4.215 -17.085 -2.663 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.539 -18.277 -4.757 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.307 -16.723 -5.532 1.00 0.00 H new ATOM 1390 N ASN A 89 3.363 -14.476 -2.354 1.00 0.00 N ATOM 1391 CA ASN A 89 3.598 -13.077 -2.027 1.00 0.00 C ATOM 1392 C ASN A 89 2.919 -12.151 -2.995 1.00 0.00 C ATOM 1393 O ASN A 89 3.510 -11.173 -3.438 1.00 0.00 O ATOM 1394 CB ASN A 89 5.065 -12.727 -2.050 1.00 0.00 C ATOM 1395 CG ASN A 89 5.931 -13.550 -1.132 1.00 0.00 C ATOM 1396 OD1 ASN A 89 6.110 -13.219 0.032 1.00 0.00 O ATOM 1397 ND2 ASN A 89 6.508 -14.605 -1.677 1.00 0.00 N ATOM 0 H ASN A 89 2.759 -14.942 -1.677 1.00 0.00 H new ATOM 0 HA ASN A 89 3.191 -12.950 -1.024 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.434 -12.839 -3.070 1.00 0.00 H new ATOM 0 HB3 ASN A 89 5.176 -11.676 -1.784 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.136 -15.186 -1.122 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.326 -14.839 -2.653 1.00 0.00 H new ATOM 1404 N LYS A 90 1.695 -12.441 -3.347 1.00 0.00 N ATOM 1405 CA LYS A 90 1.026 -11.615 -4.299 1.00 0.00 C ATOM 1406 C LYS A 90 -0.351 -11.244 -3.807 1.00 0.00 C ATOM 1407 O LYS A 90 -1.187 -12.101 -3.538 1.00 0.00 O ATOM 1408 CB LYS A 90 0.987 -12.361 -5.619 1.00 0.00 C ATOM 1409 CG LYS A 90 2.372 -12.844 -6.009 1.00 0.00 C ATOM 1410 CD LYS A 90 2.357 -13.921 -7.054 1.00 0.00 C ATOM 1411 CE LYS A 90 3.633 -13.886 -7.884 1.00 0.00 C ATOM 1412 NZ LYS A 90 4.829 -14.318 -7.112 1.00 0.00 N ATOM 0 H LYS A 90 1.154 -13.230 -2.993 1.00 0.00 H new ATOM 0 HA LYS A 90 1.561 -10.676 -4.439 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.310 -13.211 -5.541 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.592 -11.709 -6.398 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.953 -11.999 -6.378 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.882 -13.217 -5.121 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.255 -14.896 -6.577 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.491 -13.792 -7.704 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.514 -14.532 -8.754 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.792 -12.874 -8.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.675 -13.844 -7.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.706 -14.064 -6.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.943 -15.348 -7.196 1.00 0.00 H new ATOM 1426 N MET A 91 -0.550 -9.956 -3.672 1.00 0.00 N ATOM 1427 CA MET A 91 -1.834 -9.401 -3.295 1.00 0.00 C ATOM 1428 C MET A 91 -2.302 -8.445 -4.353 1.00 0.00 C ATOM 1429 O MET A 91 -1.631 -7.476 -4.673 1.00 0.00 O ATOM 1430 CB MET A 91 -1.756 -8.687 -1.946 1.00 0.00 C ATOM 1431 CG MET A 91 -2.672 -7.477 -1.827 1.00 0.00 C ATOM 1432 SD MET A 91 -2.654 -6.745 -0.183 1.00 0.00 S ATOM 1433 CE MET A 91 -0.896 -6.516 0.093 1.00 0.00 C ATOM 0 H MET A 91 0.177 -9.256 -3.821 1.00 0.00 H new ATOM 0 HA MET A 91 -2.546 -10.221 -3.201 1.00 0.00 H new ATOM 0 HB2 MET A 91 -2.005 -9.397 -1.157 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.728 -8.369 -1.775 1.00 0.00 H new ATOM 0 HG2 MET A 91 -2.370 -6.726 -2.557 1.00 0.00 H new ATOM 0 HG3 MET A 91 -3.691 -7.773 -2.076 1.00 0.00 H new ATOM 0 HE1 MET A 91 -0.738 -6.054 1.067 1.00 0.00 H new ATOM 0 HE2 MET A 91 -0.394 -7.483 0.065 1.00 0.00 H new ATOM 0 HE3 MET A 91 -0.486 -5.872 -0.685 1.00 0.00 H new ATOM 1443 N VAL A 92 -3.446 -8.726 -4.908 1.00 0.00 N ATOM 1444 CA VAL A 92 -4.002 -7.860 -5.916 1.00 0.00 C ATOM 1445 C VAL A 92 -5.437 -7.519 -5.549 1.00 0.00 C ATOM 1446 O VAL A 92 -6.296 -8.397 -5.484 1.00 0.00 O ATOM 1447 CB VAL A 92 -3.952 -8.500 -7.323 1.00 0.00 C ATOM 1448 CG1 VAL A 92 -3.560 -7.464 -8.360 1.00 0.00 C ATOM 1449 CG2 VAL A 92 -2.993 -9.688 -7.359 1.00 0.00 C ATOM 0 H VAL A 92 -4.013 -9.544 -4.683 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.399 -6.953 -5.952 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.949 -8.872 -7.560 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.529 -7.929 -9.345 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.292 -6.657 -8.363 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.577 -7.061 -8.118 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.981 -10.115 -8.362 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.990 -9.354 -7.095 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.323 -10.444 -6.646 1.00 0.00 H new ATOM 1459 N THR A 93 -5.691 -6.251 -5.309 1.00 0.00 N ATOM 1460 CA THR A 93 -7.015 -5.807 -4.926 1.00 0.00 C ATOM 1461 C THR A 93 -7.535 -4.787 -5.912 1.00 0.00 C ATOM 1462 O THR A 93 -6.811 -3.889 -6.350 1.00 0.00 O ATOM 1463 CB THR A 93 -7.064 -5.242 -3.486 1.00 0.00 C ATOM 1464 OG1 THR A 93 -8.138 -4.310 -3.345 1.00 0.00 O ATOM 1465 CG2 THR A 93 -5.754 -4.584 -3.085 1.00 0.00 C ATOM 0 H THR A 93 -4.996 -5.507 -5.372 1.00 0.00 H new ATOM 0 HA THR A 93 -7.660 -6.686 -4.942 1.00 0.00 H new ATOM 0 HB THR A 93 -7.231 -6.088 -2.819 1.00 0.00 H new ATOM 0 HG1 THR A 93 -8.154 -3.965 -2.428 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.835 -4.202 -2.067 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.949 -5.317 -3.135 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.537 -3.760 -3.765 1.00 0.00 H new ATOM 1473 N THR A 94 -8.777 -4.971 -6.300 1.00 0.00 N ATOM 1474 CA THR A 94 -9.393 -4.115 -7.291 1.00 0.00 C ATOM 1475 C THR A 94 -10.727 -3.567 -6.805 1.00 0.00 C ATOM 1476 O THR A 94 -11.596 -4.320 -6.361 1.00 0.00 O ATOM 1477 CB THR A 94 -9.593 -4.875 -8.612 1.00 0.00 C ATOM 1478 OG1 THR A 94 -8.346 -5.460 -9.011 1.00 0.00 O ATOM 1479 CG2 THR A 94 -10.095 -3.943 -9.705 1.00 0.00 C ATOM 0 H THR A 94 -9.384 -5.709 -5.943 1.00 0.00 H new ATOM 0 HA THR A 94 -8.720 -3.274 -7.459 1.00 0.00 H new ATOM 0 HB THR A 94 -10.340 -5.654 -8.459 1.00 0.00 H new ATOM 0 HG1 THR A 94 -8.468 -5.948 -9.852 1.00 0.00 H new ATOM 0 HG21 THR A 94 -10.228 -4.505 -10.629 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.048 -3.509 -9.403 1.00 0.00 H new ATOM 0 HG23 THR A 94 -9.368 -3.147 -9.866 1.00 0.00 H new ATOM 1487 N PHE A 95 -10.873 -2.254 -6.871 1.00 0.00 N ATOM 1488 CA PHE A 95 -12.154 -1.620 -6.633 1.00 0.00 C ATOM 1489 C PHE A 95 -12.529 -0.797 -7.856 1.00 0.00 C ATOM 1490 O PHE A 95 -11.921 0.235 -8.123 1.00 0.00 O ATOM 1491 CB PHE A 95 -12.083 -0.735 -5.384 1.00 0.00 C ATOM 1492 CG PHE A 95 -13.313 0.099 -5.156 1.00 0.00 C ATOM 1493 CD1 PHE A 95 -14.511 -0.488 -4.784 1.00 0.00 C ATOM 1494 CD2 PHE A 95 -13.263 1.476 -5.304 1.00 0.00 C ATOM 1495 CE1 PHE A 95 -15.638 0.283 -4.570 1.00 0.00 C ATOM 1496 CE2 PHE A 95 -14.385 2.252 -5.094 1.00 0.00 C ATOM 1497 CZ PHE A 95 -15.574 1.656 -4.724 1.00 0.00 C ATOM 0 H PHE A 95 -10.116 -1.606 -7.088 1.00 0.00 H new ATOM 0 HA PHE A 95 -12.917 -2.380 -6.462 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -11.918 -1.368 -4.512 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -11.219 -0.075 -5.467 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -14.565 -1.559 -4.660 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -12.334 1.948 -5.587 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -16.567 -0.186 -4.283 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -14.333 3.323 -5.219 1.00 0.00 H new ATOM 0 HZ PHE A 95 -16.453 2.261 -4.555 1.00 0.00 H new ATOM 1507 N LYS A 96 -13.560 -1.244 -8.561 1.00 0.00 N ATOM 1508 CA LYS A 96 -13.962 -0.660 -9.841 1.00 0.00 C ATOM 1509 C LYS A 96 -12.753 -0.445 -10.768 1.00 0.00 C ATOM 1510 O LYS A 96 -12.268 -1.396 -11.384 1.00 0.00 O ATOM 1511 CB LYS A 96 -14.749 0.642 -9.636 1.00 0.00 C ATOM 1512 CG LYS A 96 -16.036 0.450 -8.847 1.00 0.00 C ATOM 1513 CD LYS A 96 -16.962 1.646 -8.979 1.00 0.00 C ATOM 1514 CE LYS A 96 -16.308 2.918 -8.476 1.00 0.00 C ATOM 1515 NZ LYS A 96 -17.228 4.079 -8.582 1.00 0.00 N ATOM 0 H LYS A 96 -14.145 -2.024 -8.263 1.00 0.00 H new ATOM 0 HA LYS A 96 -14.625 -1.372 -10.332 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -14.117 1.362 -9.117 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -14.988 1.071 -10.609 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -16.547 -0.446 -9.198 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -15.797 0.289 -7.796 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -17.248 1.772 -10.023 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -17.878 1.461 -8.418 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -16.004 2.786 -7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -15.403 3.115 -9.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.751 4.933 -8.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -17.498 4.218 -9.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -18.080 3.900 -8.014 1.00 0.00 H new ATOM 1529 N GLY A 97 -12.246 0.785 -10.839 1.00 0.00 N ATOM 1530 CA GLY A 97 -11.111 1.077 -11.684 1.00 0.00 C ATOM 1531 C GLY A 97 -9.843 1.329 -10.886 1.00 0.00 C ATOM 1532 O GLY A 97 -8.881 1.901 -11.390 1.00 0.00 O ATOM 0 H GLY A 97 -12.608 1.585 -10.321 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -10.947 0.244 -12.368 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -11.332 1.952 -12.295 1.00 0.00 H new ATOM 1536 N ILE A 98 -9.842 0.901 -9.633 1.00 0.00 N ATOM 1537 CA ILE A 98 -8.698 1.072 -8.761 1.00 0.00 C ATOM 1538 C ILE A 98 -7.941 -0.235 -8.694 1.00 0.00 C ATOM 1539 O ILE A 98 -8.448 -1.230 -8.172 1.00 0.00 O ATOM 1540 CB ILE A 98 -9.103 1.504 -7.340 1.00 0.00 C ATOM 1541 CG1 ILE A 98 -9.834 2.849 -7.364 1.00 0.00 C ATOM 1542 CG2 ILE A 98 -7.879 1.590 -6.438 1.00 0.00 C ATOM 1543 CD1 ILE A 98 -9.442 3.752 -8.510 1.00 0.00 C ATOM 0 H ILE A 98 -10.633 0.427 -9.196 1.00 0.00 H new ATOM 0 HA ILE A 98 -8.074 1.865 -9.174 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.782 0.750 -6.941 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -10.907 2.665 -7.413 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -9.643 3.369 -6.426 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.185 1.897 -5.438 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.396 0.614 -6.386 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -7.179 2.321 -6.843 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -10.007 4.682 -8.450 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.376 3.971 -8.452 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -9.660 3.255 -9.456 1.00 0.00 H new ATOM 1555 N LYS A 99 -6.740 -0.240 -9.230 1.00 0.00 N ATOM 1556 CA LYS A 99 -5.989 -1.468 -9.357 1.00 0.00 C ATOM 1557 C LYS A 99 -4.753 -1.432 -8.473 1.00 0.00 C ATOM 1558 O LYS A 99 -3.900 -0.565 -8.635 1.00 0.00 O ATOM 1559 CB LYS A 99 -5.596 -1.664 -10.811 1.00 0.00 C ATOM 1560 CG LYS A 99 -5.317 -3.105 -11.177 1.00 0.00 C ATOM 1561 CD LYS A 99 -4.815 -3.219 -12.610 1.00 0.00 C ATOM 1562 CE LYS A 99 -4.246 -4.599 -12.916 1.00 0.00 C ATOM 1563 NZ LYS A 99 -5.264 -5.674 -12.788 1.00 0.00 N ATOM 0 H LYS A 99 -6.264 0.590 -9.584 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.609 -2.304 -9.034 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.395 -1.285 -11.448 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.709 -1.067 -11.022 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.575 -3.520 -10.494 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.225 -3.696 -11.058 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.634 -3.006 -13.297 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.047 -2.465 -12.785 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.840 -4.605 -13.928 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.417 -4.805 -12.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.832 -6.591 -13.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.621 -5.699 -11.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.052 -5.485 -13.440 1.00 0.00 H new ATOM 1577 N SER A 100 -4.667 -2.356 -7.527 1.00 0.00 N ATOM 1578 CA SER A 100 -3.505 -2.444 -6.655 1.00 0.00 C ATOM 1579 C SER A 100 -2.841 -3.813 -6.792 1.00 0.00 C ATOM 1580 O SER A 100 -3.462 -4.843 -6.530 1.00 0.00 O ATOM 1581 CB SER A 100 -3.918 -2.198 -5.199 1.00 0.00 C ATOM 1582 OG SER A 100 -2.792 -2.176 -4.335 1.00 0.00 O ATOM 0 H SER A 100 -5.387 -3.055 -7.344 1.00 0.00 H new ATOM 0 HA SER A 100 -2.787 -1.679 -6.951 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.452 -1.251 -5.126 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.608 -2.978 -4.879 1.00 0.00 H new ATOM 0 HG SER A 100 -3.089 -2.016 -3.415 1.00 0.00 H new ATOM 1588 N VAL A 101 -1.578 -3.809 -7.207 1.00 0.00 N ATOM 1589 CA VAL A 101 -0.799 -5.014 -7.371 1.00 0.00 C ATOM 1590 C VAL A 101 0.323 -5.037 -6.324 1.00 0.00 C ATOM 1591 O VAL A 101 1.091 -4.083 -6.194 1.00 0.00 O ATOM 1592 CB VAL A 101 -0.230 -5.115 -8.817 1.00 0.00 C ATOM 1593 CG1 VAL A 101 -0.879 -4.094 -9.728 1.00 0.00 C ATOM 1594 CG2 VAL A 101 1.283 -5.015 -8.855 1.00 0.00 C ATOM 0 H VAL A 101 -1.069 -2.956 -7.439 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.440 -5.882 -7.218 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.481 -6.108 -9.190 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.464 -4.186 -10.732 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.954 -4.269 -9.763 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.687 -3.091 -9.346 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.627 -5.091 -9.887 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.595 -4.057 -8.438 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.716 -5.825 -8.267 1.00 0.00 H new ATOM 1604 N THR A 102 0.343 -6.070 -5.508 1.00 0.00 N ATOM 1605 CA THR A 102 1.403 -6.254 -4.534 1.00 0.00 C ATOM 1606 C THR A 102 2.154 -7.566 -4.773 1.00 0.00 C ATOM 1607 O THR A 102 1.549 -8.634 -4.746 1.00 0.00 O ATOM 1608 CB THR A 102 0.838 -6.230 -3.100 1.00 0.00 C ATOM 1609 OG1 THR A 102 -0.096 -5.149 -2.976 1.00 0.00 O ATOM 1610 CG2 THR A 102 1.953 -6.049 -2.083 1.00 0.00 C ATOM 0 H THR A 102 -0.368 -6.801 -5.499 1.00 0.00 H new ATOM 0 HA THR A 102 2.104 -5.428 -4.653 1.00 0.00 H new ATOM 0 HB THR A 102 0.341 -7.180 -2.906 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.210 -4.531 -2.280 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.530 -6.035 -1.078 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.660 -6.874 -2.168 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.469 -5.108 -2.273 1.00 0.00 H new ATOM 1618 N GLU A 103 3.455 -7.493 -5.014 1.00 0.00 N ATOM 1619 CA GLU A 103 4.268 -8.701 -5.143 1.00 0.00 C ATOM 1620 C GLU A 103 5.519 -8.614 -4.275 1.00 0.00 C ATOM 1621 O GLU A 103 6.245 -7.625 -4.331 1.00 0.00 O ATOM 1622 CB GLU A 103 4.667 -8.930 -6.601 1.00 0.00 C ATOM 1623 CG GLU A 103 5.357 -10.233 -6.849 1.00 0.00 C ATOM 1624 CD GLU A 103 5.726 -10.424 -8.304 1.00 0.00 C ATOM 1625 OE1 GLU A 103 6.788 -9.915 -8.723 1.00 0.00 O ATOM 1626 OE2 GLU A 103 4.950 -11.068 -9.037 1.00 0.00 O ATOM 0 H GLU A 103 3.970 -6.619 -5.124 1.00 0.00 H new ATOM 0 HA GLU A 103 3.665 -9.543 -4.803 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.773 -8.881 -7.223 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.322 -8.118 -6.919 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.259 -10.285 -6.239 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.709 -11.050 -6.531 1.00 0.00 H new ATOM 1633 N PHE A 104 5.766 -9.637 -3.471 1.00 0.00 N ATOM 1634 CA PHE A 104 6.999 -9.730 -2.716 1.00 0.00 C ATOM 1635 C PHE A 104 7.837 -10.856 -3.307 1.00 0.00 C ATOM 1636 O PHE A 104 7.395 -12.002 -3.346 1.00 0.00 O ATOM 1637 CB PHE A 104 6.752 -10.071 -1.234 1.00 0.00 C ATOM 1638 CG PHE A 104 5.588 -9.394 -0.542 1.00 0.00 C ATOM 1639 CD1 PHE A 104 4.320 -9.344 -1.104 1.00 0.00 C ATOM 1640 CD2 PHE A 104 5.774 -8.836 0.703 1.00 0.00 C ATOM 1641 CE1 PHE A 104 3.272 -8.744 -0.439 1.00 0.00 C ATOM 1642 CE2 PHE A 104 4.728 -8.238 1.380 1.00 0.00 C ATOM 1643 CZ PHE A 104 3.475 -8.189 0.807 1.00 0.00 C ATOM 0 H PHE A 104 5.124 -10.416 -3.327 1.00 0.00 H new ATOM 0 HA PHE A 104 7.497 -8.762 -2.773 1.00 0.00 H new ATOM 0 HB2 PHE A 104 6.607 -11.149 -1.157 1.00 0.00 H new ATOM 0 HB3 PHE A 104 7.659 -9.831 -0.679 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.152 -9.782 -2.077 1.00 0.00 H new ATOM 0 HD2 PHE A 104 6.753 -8.866 1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 104 2.293 -8.709 -0.893 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.892 -7.809 2.358 1.00 0.00 H new ATOM 0 HZ PHE A 104 2.657 -7.718 1.331 1.00 0.00 H new ATOM 1653 N ASN A 105 9.013 -10.562 -3.807 1.00 0.00 N ATOM 1654 CA ASN A 105 9.891 -11.641 -4.207 1.00 0.00 C ATOM 1655 C ASN A 105 11.271 -11.473 -3.606 1.00 0.00 C ATOM 1656 O ASN A 105 12.064 -10.657 -4.071 1.00 0.00 O ATOM 1657 CB ASN A 105 9.964 -11.788 -5.722 1.00 0.00 C ATOM 1658 CG ASN A 105 9.997 -13.250 -6.125 1.00 0.00 C ATOM 1659 OD1 ASN A 105 9.325 -14.088 -5.339 1.00 0.00 O flip ATOM 1660 ND2 ASN A 105 10.606 -13.621 -7.129 1.00 0.00 N flip ATOM 0 H ASN A 105 9.378 -9.619 -3.945 1.00 0.00 H new ATOM 0 HA ASN A 105 9.463 -12.564 -3.817 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.104 -11.300 -6.180 1.00 0.00 H new ATOM 0 HB3 ASN A 105 10.854 -11.283 -6.098 1.00 0.00 H new ATOM 0 HD21 ASN A 105 11.107 -12.942 -7.701 1.00 0.00 H new ATOM 0 HD22 ASN A 105 10.609 -14.608 -7.388 1.00 0.00 H new ATOM 1667 N GLY A 106 11.551 -12.245 -2.568 1.00 0.00 N ATOM 1668 CA GLY A 106 12.857 -12.205 -1.957 1.00 0.00 C ATOM 1669 C GLY A 106 13.085 -10.972 -1.113 1.00 0.00 C ATOM 1670 O GLY A 106 13.964 -10.168 -1.431 1.00 0.00 O ATOM 0 H GLY A 106 10.895 -12.898 -2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 106 12.987 -13.091 -1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 106 13.617 -12.248 -2.737 1.00 0.00 H new ATOM 1674 N ASP A 107 12.289 -10.810 -0.052 1.00 0.00 N ATOM 1675 CA ASP A 107 12.475 -9.711 0.905 1.00 0.00 C ATOM 1676 C ASP A 107 12.167 -8.341 0.285 1.00 0.00 C ATOM 1677 O ASP A 107 12.225 -7.323 0.971 1.00 0.00 O ATOM 1678 CB ASP A 107 13.908 -9.694 1.469 1.00 0.00 C ATOM 1679 CG ASP A 107 14.312 -10.981 2.167 1.00 0.00 C ATOM 1680 OD1 ASP A 107 14.789 -11.912 1.478 1.00 0.00 O ATOM 1681 OD2 ASP A 107 14.196 -11.056 3.408 1.00 0.00 O ATOM 0 H ASP A 107 11.507 -11.427 0.168 1.00 0.00 H new ATOM 0 HA ASP A 107 11.767 -9.893 1.714 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.606 -9.500 0.654 1.00 0.00 H new ATOM 0 HB3 ASP A 107 14.001 -8.867 2.172 1.00 0.00 H new ATOM 1686 N THR A 108 11.861 -8.297 -1.005 1.00 0.00 N ATOM 1687 CA THR A 108 11.518 -7.031 -1.641 1.00 0.00 C ATOM 1688 C THR A 108 10.091 -7.032 -2.171 1.00 0.00 C ATOM 1689 O THR A 108 9.605 -8.039 -2.686 1.00 0.00 O ATOM 1690 CB THR A 108 12.500 -6.671 -2.775 1.00 0.00 C ATOM 1691 OG1 THR A 108 12.726 -7.810 -3.618 1.00 0.00 O ATOM 1692 CG2 THR A 108 13.823 -6.182 -2.210 1.00 0.00 C ATOM 0 H THR A 108 11.843 -9.108 -1.623 1.00 0.00 H new ATOM 0 HA THR A 108 11.597 -6.269 -0.866 1.00 0.00 H new ATOM 0 HB THR A 108 12.055 -5.870 -3.365 1.00 0.00 H new ATOM 0 HG1 THR A 108 11.954 -8.411 -3.570 1.00 0.00 H new ATOM 0 HG21 THR A 108 14.499 -5.934 -3.029 1.00 0.00 H new ATOM 0 HG22 THR A 108 13.652 -5.295 -1.599 1.00 0.00 H new ATOM 0 HG23 THR A 108 14.268 -6.965 -1.596 1.00 0.00 H new ATOM 1700 N ILE A 109 9.433 -5.888 -2.034 1.00 0.00 N ATOM 1701 CA ILE A 109 8.036 -5.745 -2.404 1.00 0.00 C ATOM 1702 C ILE A 109 7.857 -4.737 -3.533 1.00 0.00 C ATOM 1703 O ILE A 109 8.452 -3.658 -3.517 1.00 0.00 O ATOM 1704 CB ILE A 109 7.188 -5.248 -1.220 1.00 0.00 C ATOM 1705 CG1 ILE A 109 7.557 -5.973 0.071 1.00 0.00 C ATOM 1706 CG2 ILE A 109 5.713 -5.443 -1.520 1.00 0.00 C ATOM 1707 CD1 ILE A 109 6.685 -5.563 1.238 1.00 0.00 C ATOM 0 H ILE A 109 9.854 -5.036 -1.664 1.00 0.00 H new ATOM 0 HA ILE A 109 7.708 -6.735 -2.721 1.00 0.00 H new ATOM 0 HB ILE A 109 7.393 -4.186 -1.081 1.00 0.00 H new ATOM 0 HG12 ILE A 109 7.470 -7.049 -0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.600 -5.769 0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.120 -5.089 -0.677 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.446 -4.879 -2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.512 -6.502 -1.685 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.991 -6.109 2.130 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.792 -4.492 1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.644 -5.792 1.012 1.00 0.00 H new ATOM 1719 N THR A 110 7.034 -5.088 -4.501 1.00 0.00 N ATOM 1720 CA THR A 110 6.601 -4.142 -5.506 1.00 0.00 C ATOM 1721 C THR A 110 5.112 -3.865 -5.332 1.00 0.00 C ATOM 1722 O THR A 110 4.294 -4.783 -5.401 1.00 0.00 O ATOM 1723 CB THR A 110 6.835 -4.678 -6.929 1.00 0.00 C ATOM 1724 OG1 THR A 110 8.131 -5.285 -7.016 1.00 0.00 O ATOM 1725 CG2 THR A 110 6.731 -3.547 -7.944 1.00 0.00 C ATOM 0 H THR A 110 6.651 -6.027 -4.612 1.00 0.00 H new ATOM 0 HA THR A 110 7.184 -3.230 -5.377 1.00 0.00 H new ATOM 0 HB THR A 110 6.071 -5.424 -7.150 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.272 -5.625 -7.924 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.899 -3.941 -8.946 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.738 -3.101 -7.891 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.482 -2.789 -7.722 1.00 0.00 H new ATOM 1733 N ASN A 111 4.761 -2.613 -5.085 1.00 0.00 N ATOM 1734 CA ASN A 111 3.354 -2.232 -4.988 1.00 0.00 C ATOM 1735 C ASN A 111 2.986 -1.286 -6.121 1.00 0.00 C ATOM 1736 O ASN A 111 3.591 -0.236 -6.285 1.00 0.00 O ATOM 1737 CB ASN A 111 3.073 -1.578 -3.632 1.00 0.00 C ATOM 1738 CG ASN A 111 1.606 -1.233 -3.420 1.00 0.00 C ATOM 1739 OD1 ASN A 111 1.287 -0.264 -2.731 1.00 0.00 O ATOM 1740 ND2 ASN A 111 0.707 -2.031 -3.980 1.00 0.00 N ATOM 0 H ASN A 111 5.421 -1.847 -4.949 1.00 0.00 H new ATOM 0 HA ASN A 111 2.742 -3.130 -5.073 1.00 0.00 H new ATOM 0 HB2 ASN A 111 3.399 -2.250 -2.838 1.00 0.00 H new ATOM 0 HB3 ASN A 111 3.669 -0.669 -3.545 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -0.288 -1.851 -3.846 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.011 -2.824 -4.544 1.00 0.00 H new ATOM 1747 N THR A 112 2.012 -1.684 -6.917 1.00 0.00 N ATOM 1748 CA THR A 112 1.558 -0.876 -8.034 1.00 0.00 C ATOM 1749 C THR A 112 0.069 -0.566 -7.920 1.00 0.00 C ATOM 1750 O THR A 112 -0.752 -1.471 -7.931 1.00 0.00 O ATOM 1751 CB THR A 112 1.829 -1.593 -9.365 1.00 0.00 C ATOM 1752 OG1 THR A 112 3.152 -2.147 -9.357 1.00 0.00 O ATOM 1753 CG2 THR A 112 1.693 -0.630 -10.511 1.00 0.00 C ATOM 0 H THR A 112 1.516 -2.569 -6.810 1.00 0.00 H new ATOM 0 HA THR A 112 2.114 0.061 -8.009 1.00 0.00 H new ATOM 0 HB THR A 112 1.101 -2.395 -9.487 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.320 -2.605 -10.207 1.00 0.00 H new ATOM 0 HG21 THR A 112 1.888 -1.151 -11.449 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.682 -0.222 -10.525 1.00 0.00 H new ATOM 0 HG23 THR A 112 2.410 0.182 -10.391 1.00 0.00 H new ATOM 1761 N MET A 113 -0.284 0.701 -7.809 1.00 0.00 N ATOM 1762 CA MET A 113 -1.666 1.093 -7.715 1.00 0.00 C ATOM 1763 C MET A 113 -1.989 2.105 -8.811 1.00 0.00 C ATOM 1764 O MET A 113 -1.124 2.854 -9.236 1.00 0.00 O ATOM 1765 CB MET A 113 -1.954 1.663 -6.329 1.00 0.00 C ATOM 1766 CG MET A 113 -3.279 2.371 -6.250 1.00 0.00 C ATOM 1767 SD MET A 113 -3.703 2.925 -4.587 1.00 0.00 S ATOM 1768 CE MET A 113 -3.732 1.369 -3.697 1.00 0.00 C ATOM 0 H MET A 113 0.378 1.477 -7.782 1.00 0.00 H new ATOM 0 HA MET A 113 -2.304 0.221 -7.857 1.00 0.00 H new ATOM 0 HB2 MET A 113 -1.936 0.854 -5.598 1.00 0.00 H new ATOM 0 HB3 MET A 113 -1.160 2.358 -6.055 1.00 0.00 H new ATOM 0 HG2 MET A 113 -3.262 3.232 -6.918 1.00 0.00 H new ATOM 0 HG3 MET A 113 -4.061 1.703 -6.612 1.00 0.00 H new ATOM 0 HE1 MET A 113 -4.084 1.538 -2.679 1.00 0.00 H new ATOM 0 HE2 MET A 113 -4.402 0.674 -4.202 1.00 0.00 H new ATOM 0 HE3 MET A 113 -2.727 0.948 -3.668 1.00 0.00 H new ATOM 1778 N THR A 114 -3.218 2.112 -9.283 1.00 0.00 N ATOM 1779 CA THR A 114 -3.617 3.014 -10.337 1.00 0.00 C ATOM 1780 C THR A 114 -4.809 3.844 -9.867 1.00 0.00 C ATOM 1781 O THR A 114 -5.840 3.285 -9.492 1.00 0.00 O ATOM 1782 CB THR A 114 -4.006 2.228 -11.605 1.00 0.00 C ATOM 1783 OG1 THR A 114 -3.126 1.111 -11.762 1.00 0.00 O ATOM 1784 CG2 THR A 114 -3.920 3.109 -12.842 1.00 0.00 C ATOM 0 H THR A 114 -3.961 1.498 -8.949 1.00 0.00 H new ATOM 0 HA THR A 114 -2.779 3.669 -10.576 1.00 0.00 H new ATOM 0 HB THR A 114 -5.035 1.885 -11.493 1.00 0.00 H new ATOM 0 HG1 THR A 114 -3.374 0.610 -12.567 1.00 0.00 H new ATOM 0 HG21 THR A 114 -4.200 2.529 -13.722 1.00 0.00 H new ATOM 0 HG22 THR A 114 -4.599 3.955 -12.734 1.00 0.00 H new ATOM 0 HG23 THR A 114 -2.900 3.475 -12.958 1.00 0.00 H new ATOM 1792 N LEU A 115 -4.673 5.165 -9.869 1.00 0.00 N ATOM 1793 CA LEU A 115 -5.752 6.027 -9.399 1.00 0.00 C ATOM 1794 C LEU A 115 -6.247 6.914 -10.516 1.00 0.00 C ATOM 1795 O LEU A 115 -5.524 7.775 -10.998 1.00 0.00 O ATOM 1796 CB LEU A 115 -5.291 6.875 -8.209 1.00 0.00 C ATOM 1797 CG LEU A 115 -6.145 6.703 -6.967 1.00 0.00 C ATOM 1798 CD1 LEU A 115 -6.189 5.243 -6.629 1.00 0.00 C ATOM 1799 CD2 LEU A 115 -5.563 7.466 -5.808 1.00 0.00 C ATOM 0 H LEU A 115 -3.838 5.658 -10.186 1.00 0.00 H new ATOM 0 HA LEU A 115 -6.575 5.392 -9.070 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.260 6.616 -7.968 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.296 7.926 -8.500 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.147 7.088 -7.160 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.798 5.094 -5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.623 4.690 -7.462 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -5.178 4.882 -6.441 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.192 7.328 -4.929 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -4.559 7.098 -5.597 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.516 8.526 -6.057 1.00 0.00 H new ATOM 1811 N GLY A 116 -7.487 6.706 -10.916 1.00 0.00 N ATOM 1812 CA GLY A 116 -8.034 7.448 -12.037 1.00 0.00 C ATOM 1813 C GLY A 116 -7.372 7.057 -13.340 1.00 0.00 C ATOM 1814 O GLY A 116 -7.886 6.228 -14.092 1.00 0.00 O ATOM 0 H GLY A 116 -8.128 6.038 -10.488 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.107 7.267 -12.105 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.901 8.516 -11.867 1.00 0.00 H new ATOM 1818 N ASP A 117 -6.224 7.659 -13.593 1.00 0.00 N ATOM 1819 CA ASP A 117 -5.403 7.333 -14.749 1.00 0.00 C ATOM 1820 C ASP A 117 -3.930 7.337 -14.341 1.00 0.00 C ATOM 1821 O ASP A 117 -3.030 7.163 -15.159 1.00 0.00 O ATOM 1822 CB ASP A 117 -5.660 8.346 -15.873 1.00 0.00 C ATOM 1823 CG ASP A 117 -4.907 8.028 -17.152 1.00 0.00 C ATOM 1824 OD1 ASP A 117 -5.226 7.006 -17.794 1.00 0.00 O ATOM 1825 OD2 ASP A 117 -3.999 8.802 -17.526 1.00 0.00 O ATOM 0 H ASP A 117 -5.832 8.391 -13.001 1.00 0.00 H new ATOM 0 HA ASP A 117 -5.663 6.341 -15.117 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.728 8.378 -16.087 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.374 9.340 -15.529 1.00 0.00 H new ATOM 1830 N ILE A 118 -3.694 7.508 -13.048 1.00 0.00 N ATOM 1831 CA ILE A 118 -2.340 7.678 -12.538 1.00 0.00 C ATOM 1832 C ILE A 118 -1.725 6.339 -12.135 1.00 0.00 C ATOM 1833 O ILE A 118 -2.401 5.493 -11.553 1.00 0.00 O ATOM 1834 CB ILE A 118 -2.306 8.661 -11.342 1.00 0.00 C ATOM 1835 CG1 ILE A 118 -2.528 7.974 -9.993 1.00 0.00 C ATOM 1836 CG2 ILE A 118 -3.357 9.728 -11.515 1.00 0.00 C ATOM 1837 CD1 ILE A 118 -1.230 7.720 -9.272 1.00 0.00 C ATOM 0 H ILE A 118 -4.421 7.533 -12.333 1.00 0.00 H new ATOM 0 HA ILE A 118 -1.745 8.101 -13.347 1.00 0.00 H new ATOM 0 HB ILE A 118 -1.307 9.096 -11.336 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -3.173 8.595 -9.371 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -3.048 7.029 -10.148 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -3.323 10.413 -10.668 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.167 10.280 -12.436 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -4.342 9.264 -11.567 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -1.433 7.231 -8.319 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -0.595 7.077 -9.882 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -0.722 8.668 -9.093 1.00 0.00 H new ATOM 1849 N VAL A 119 -0.449 6.143 -12.450 1.00 0.00 N ATOM 1850 CA VAL A 119 0.221 4.901 -12.123 1.00 0.00 C ATOM 1851 C VAL A 119 1.159 5.089 -10.930 1.00 0.00 C ATOM 1852 O VAL A 119 2.106 5.868 -10.973 1.00 0.00 O ATOM 1853 CB VAL A 119 0.989 4.341 -13.336 1.00 0.00 C ATOM 1854 CG1 VAL A 119 1.889 5.404 -13.917 1.00 0.00 C ATOM 1855 CG2 VAL A 119 1.783 3.098 -12.957 1.00 0.00 C ATOM 0 H VAL A 119 0.135 6.828 -12.929 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.544 4.174 -11.849 1.00 0.00 H new ATOM 0 HB VAL A 119 0.265 4.047 -14.096 1.00 0.00 H new ATOM 0 HG11 VAL A 119 2.427 4.997 -14.773 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.288 6.255 -14.237 1.00 0.00 H new ATOM 0 HG13 VAL A 119 2.604 5.729 -13.161 1.00 0.00 H new ATOM 0 HG21 VAL A 119 2.315 2.725 -13.832 1.00 0.00 H new ATOM 0 HG22 VAL A 119 2.501 3.349 -12.176 1.00 0.00 H new ATOM 0 HG23 VAL A 119 1.103 2.329 -12.591 1.00 0.00 H new ATOM 1865 N TYR A 120 0.866 4.390 -9.859 1.00 0.00 N ATOM 1866 CA TYR A 120 1.660 4.460 -8.652 1.00 0.00 C ATOM 1867 C TYR A 120 2.463 3.187 -8.494 1.00 0.00 C ATOM 1868 O TYR A 120 1.907 2.096 -8.431 1.00 0.00 O ATOM 1869 CB TYR A 120 0.739 4.671 -7.445 1.00 0.00 C ATOM 1870 CG TYR A 120 1.347 4.335 -6.093 1.00 0.00 C ATOM 1871 CD1 TYR A 120 2.235 5.198 -5.462 1.00 0.00 C ATOM 1872 CD2 TYR A 120 1.002 3.158 -5.436 1.00 0.00 C ATOM 1873 CE1 TYR A 120 2.756 4.892 -4.217 1.00 0.00 C ATOM 1874 CE2 TYR A 120 1.524 2.850 -4.198 1.00 0.00 C ATOM 1875 CZ TYR A 120 2.396 3.722 -3.594 1.00 0.00 C ATOM 1876 OH TYR A 120 2.909 3.433 -2.352 1.00 0.00 O ATOM 0 H TYR A 120 0.070 3.755 -9.798 1.00 0.00 H new ATOM 0 HA TYR A 120 2.352 5.300 -8.716 1.00 0.00 H new ATOM 0 HB2 TYR A 120 0.419 5.713 -7.431 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -0.156 4.065 -7.582 1.00 0.00 H new ATOM 0 HD1 TYR A 120 2.522 6.118 -5.949 1.00 0.00 H new ATOM 0 HD2 TYR A 120 0.312 2.472 -5.905 1.00 0.00 H new ATOM 0 HE1 TYR A 120 3.444 5.572 -3.736 1.00 0.00 H new ATOM 0 HE2 TYR A 120 1.249 1.929 -3.706 1.00 0.00 H new ATOM 0 HH TYR A 120 2.389 2.710 -1.944 1.00 0.00 H new ATOM 1886 N LYS A 121 3.765 3.323 -8.453 1.00 0.00 N ATOM 1887 CA LYS A 121 4.625 2.186 -8.205 1.00 0.00 C ATOM 1888 C LYS A 121 5.503 2.464 -7.007 1.00 0.00 C ATOM 1889 O LYS A 121 6.154 3.496 -6.922 1.00 0.00 O ATOM 1890 CB LYS A 121 5.477 1.857 -9.419 1.00 0.00 C ATOM 1891 CG LYS A 121 5.179 0.501 -10.023 1.00 0.00 C ATOM 1892 CD LYS A 121 6.318 0.034 -10.887 1.00 0.00 C ATOM 1893 CE LYS A 121 6.557 0.986 -12.044 1.00 0.00 C ATOM 1894 NZ LYS A 121 7.811 0.680 -12.775 1.00 0.00 N ATOM 0 H LYS A 121 4.255 4.207 -8.588 1.00 0.00 H new ATOM 0 HA LYS A 121 3.995 1.320 -8.001 1.00 0.00 H new ATOM 0 HB2 LYS A 121 5.324 2.624 -10.178 1.00 0.00 H new ATOM 0 HB3 LYS A 121 6.529 1.895 -9.135 1.00 0.00 H new ATOM 0 HG2 LYS A 121 5.000 -0.223 -9.229 1.00 0.00 H new ATOM 0 HG3 LYS A 121 4.266 0.556 -10.616 1.00 0.00 H new ATOM 0 HD2 LYS A 121 7.224 -0.047 -10.286 1.00 0.00 H new ATOM 0 HD3 LYS A 121 6.101 -0.962 -11.272 1.00 0.00 H new ATOM 0 HE2 LYS A 121 5.715 0.934 -12.734 1.00 0.00 H new ATOM 0 HE3 LYS A 121 6.598 2.008 -11.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 7.931 1.356 -13.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 8.619 0.755 -12.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 7.763 -0.286 -13.158 1.00 0.00 H new ATOM 1908 N ARG A 122 5.498 1.549 -6.081 1.00 0.00 N ATOM 1909 CA ARG A 122 6.200 1.724 -4.835 1.00 0.00 C ATOM 1910 C ARG A 122 7.252 0.652 -4.648 1.00 0.00 C ATOM 1911 O ARG A 122 6.981 -0.537 -4.830 1.00 0.00 O ATOM 1912 CB ARG A 122 5.186 1.689 -3.700 1.00 0.00 C ATOM 1913 CG ARG A 122 5.719 1.216 -2.362 1.00 0.00 C ATOM 1914 CD ARG A 122 4.563 1.066 -1.400 1.00 0.00 C ATOM 1915 NE ARG A 122 4.856 0.199 -0.263 1.00 0.00 N ATOM 1916 CZ ARG A 122 3.919 -0.461 0.417 1.00 0.00 C ATOM 1917 NH1 ARG A 122 2.647 -0.398 0.029 1.00 0.00 N ATOM 1918 NH2 ARG A 122 4.250 -1.196 1.472 1.00 0.00 N ATOM 0 H ARG A 122 5.008 0.659 -6.165 1.00 0.00 H new ATOM 0 HA ARG A 122 6.716 2.684 -4.840 1.00 0.00 H new ATOM 0 HB2 ARG A 122 4.774 2.690 -3.574 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.361 1.039 -3.993 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.239 0.265 -2.478 1.00 0.00 H new ATOM 0 HG3 ARG A 122 6.444 1.930 -1.971 1.00 0.00 H new ATOM 0 HD2 ARG A 122 4.279 2.051 -1.031 1.00 0.00 H new ATOM 0 HD3 ARG A 122 3.703 0.667 -1.938 1.00 0.00 H new ATOM 0 HE ARG A 122 5.828 0.093 0.026 1.00 0.00 H new ATOM 0 HH11 ARG A 122 2.390 0.155 -0.788 1.00 0.00 H new ATOM 0 HH12 ARG A 122 1.930 -0.903 0.549 1.00 0.00 H new ATOM 0 HH21 ARG A 122 5.225 -1.257 1.765 1.00 0.00 H new ATOM 0 HH22 ARG A 122 3.529 -1.699 1.989 1.00 0.00 H new ATOM 1932 N VAL A 123 8.443 1.081 -4.278 1.00 0.00 N ATOM 1933 CA VAL A 123 9.482 0.156 -3.906 1.00 0.00 C ATOM 1934 C VAL A 123 9.563 0.092 -2.389 1.00 0.00 C ATOM 1935 O VAL A 123 9.774 1.098 -1.707 1.00 0.00 O ATOM 1936 CB VAL A 123 10.852 0.529 -4.522 1.00 0.00 C ATOM 1937 CG1 VAL A 123 11.306 1.898 -4.103 1.00 0.00 C ATOM 1938 CG2 VAL A 123 11.880 -0.516 -4.151 1.00 0.00 C ATOM 0 H VAL A 123 8.710 2.064 -4.229 1.00 0.00 H new ATOM 0 HA VAL A 123 9.229 -0.826 -4.305 1.00 0.00 H new ATOM 0 HB VAL A 123 10.738 0.553 -5.606 1.00 0.00 H new ATOM 0 HG11 VAL A 123 12.271 2.117 -4.559 1.00 0.00 H new ATOM 0 HG12 VAL A 123 10.575 2.639 -4.427 1.00 0.00 H new ATOM 0 HG13 VAL A 123 11.401 1.933 -3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 123 12.843 -0.250 -4.587 1.00 0.00 H new ATOM 0 HG22 VAL A 123 11.974 -0.565 -3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 123 11.565 -1.487 -4.532 1.00 0.00 H new ATOM 1948 N SER A 124 9.296 -1.087 -1.874 1.00 0.00 N ATOM 1949 CA SER A 124 9.418 -1.362 -0.462 1.00 0.00 C ATOM 1950 C SER A 124 10.337 -2.552 -0.247 1.00 0.00 C ATOM 1951 O SER A 124 10.219 -3.564 -0.934 1.00 0.00 O ATOM 1952 CB SER A 124 8.028 -1.629 0.118 1.00 0.00 C ATOM 1953 OG SER A 124 7.378 -0.415 0.451 1.00 0.00 O ATOM 0 H SER A 124 8.986 -1.886 -2.427 1.00 0.00 H new ATOM 0 HA SER A 124 9.852 -0.503 0.050 1.00 0.00 H new ATOM 0 HB2 SER A 124 7.428 -2.181 -0.605 1.00 0.00 H new ATOM 0 HB3 SER A 124 8.114 -2.256 1.006 1.00 0.00 H new ATOM 0 HG SER A 124 7.030 -0.470 1.365 1.00 0.00 H new ATOM 1959 N LYS A 125 11.263 -2.430 0.687 1.00 0.00 N ATOM 1960 CA LYS A 125 12.229 -3.492 0.917 1.00 0.00 C ATOM 1961 C LYS A 125 12.366 -3.804 2.399 1.00 0.00 C ATOM 1962 O LYS A 125 12.207 -2.932 3.251 1.00 0.00 O ATOM 1963 CB LYS A 125 13.583 -3.138 0.285 1.00 0.00 C ATOM 1964 CG LYS A 125 14.033 -1.719 0.499 1.00 0.00 C ATOM 1965 CD LYS A 125 14.657 -1.508 1.859 1.00 0.00 C ATOM 1966 CE LYS A 125 15.796 -2.487 2.065 1.00 0.00 C ATOM 1967 NZ LYS A 125 16.631 -2.144 3.243 1.00 0.00 N ATOM 0 H LYS A 125 11.368 -1.616 1.293 1.00 0.00 H new ATOM 0 HA LYS A 125 11.861 -4.396 0.433 1.00 0.00 H new ATOM 0 HB2 LYS A 125 14.342 -3.809 0.689 1.00 0.00 H new ATOM 0 HB3 LYS A 125 13.527 -3.328 -0.787 1.00 0.00 H new ATOM 0 HG2 LYS A 125 14.753 -1.449 -0.273 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.180 -1.050 0.387 1.00 0.00 H new ATOM 0 HD2 LYS A 125 15.025 -0.486 1.944 1.00 0.00 H new ATOM 0 HD3 LYS A 125 13.906 -1.642 2.637 1.00 0.00 H new ATOM 0 HE2 LYS A 125 15.390 -3.491 2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 125 16.422 -2.505 1.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 17.396 -2.842 3.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 17.041 -1.197 3.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 16.042 -2.152 4.100 1.00 0.00 H new ATOM 1981 N ARG A 126 12.667 -5.059 2.682 1.00 0.00 N ATOM 1982 CA ARG A 126 12.731 -5.566 4.044 1.00 0.00 C ATOM 1983 C ARG A 126 13.922 -4.987 4.786 1.00 0.00 C ATOM 1984 O ARG A 126 14.951 -4.668 4.187 1.00 0.00 O ATOM 1985 CB ARG A 126 12.803 -7.089 4.031 1.00 0.00 C ATOM 1986 CG ARG A 126 12.831 -7.725 5.411 1.00 0.00 C ATOM 1987 CD ARG A 126 13.978 -8.706 5.532 1.00 0.00 C ATOM 1988 NE ARG A 126 15.275 -8.029 5.538 1.00 0.00 N ATOM 1989 CZ ARG A 126 16.377 -8.515 4.974 1.00 0.00 C ATOM 1990 NH1 ARG A 126 16.338 -9.657 4.299 1.00 0.00 N ATOM 1991 NH2 ARG A 126 17.513 -7.837 5.071 1.00 0.00 N ATOM 0 H ARG A 126 12.875 -5.760 1.971 1.00 0.00 H new ATOM 0 HA ARG A 126 11.826 -5.257 4.568 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.945 -7.477 3.482 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.695 -7.394 3.485 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.929 -6.950 6.171 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.888 -8.238 5.598 1.00 0.00 H new ATOM 0 HD2 ARG A 126 13.866 -9.285 6.449 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.941 -9.412 4.703 1.00 0.00 H new ATOM 0 HE ARG A 126 15.338 -7.125 6.006 1.00 0.00 H new ATOM 0 HH11 ARG A 126 15.459 -10.167 4.210 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.187 -10.024 3.869 1.00 0.00 H new ATOM 0 HH21 ARG A 126 17.536 -6.951 5.575 1.00 0.00 H new ATOM 0 HH22 ARG A 126 18.363 -8.202 4.642 1.00 0.00 H new ATOM 2005 N ILE A 127 13.774 -4.860 6.091 1.00 0.00 N ATOM 2006 CA ILE A 127 14.751 -4.209 6.914 1.00 0.00 C ATOM 2007 C ILE A 127 15.877 -5.153 7.327 1.00 0.00 C ATOM 2008 O ILE A 127 15.976 -5.484 8.526 1.00 0.00 O ATOM 2009 CB ILE A 127 14.087 -3.668 8.154 1.00 0.00 C ATOM 2010 CG1 ILE A 127 13.088 -4.650 8.688 1.00 0.00 C ATOM 2011 CG2 ILE A 127 13.406 -2.362 7.844 1.00 0.00 C ATOM 2012 CD1 ILE A 127 12.613 -4.190 10.012 1.00 0.00 C ATOM 2013 OXT ILE A 127 16.654 -5.572 6.448 1.00 0.00 O ATOM 0 H ILE A 127 12.965 -5.211 6.604 1.00 0.00 H new ATOM 0 HA ILE A 127 15.186 -3.401 6.326 1.00 0.00 H new ATOM 0 HB ILE A 127 14.852 -3.503 8.913 1.00 0.00 H new ATOM 0 HG12 ILE A 127 12.248 -4.743 7.999 1.00 0.00 H new ATOM 0 HG13 ILE A 127 13.541 -5.638 8.774 1.00 0.00 H new ATOM 0 HG21 ILE A 127 12.929 -1.978 8.745 1.00 0.00 H new ATOM 0 HG22 ILE A 127 14.144 -1.642 7.489 1.00 0.00 H new ATOM 0 HG23 ILE A 127 12.652 -2.519 7.073 1.00 0.00 H new ATOM 0 HD11 ILE A 127 11.886 -4.901 10.405 1.00 0.00 H new ATOM 0 HD12 ILE A 127 13.458 -4.119 10.697 1.00 0.00 H new ATOM 0 HD13 ILE A 127 12.145 -3.211 9.911 1.00 0.00 H new