USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 956 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 27 SER OG : rot -179:sc= 1.74 USER MOD Set 1.2: A 30 THR OG1 : rot 180:sc= 0.958 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0.0994 (180deg=0.0995) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -164:sc= -0.0809 (180deg=-0.378) USER MOD Single : A 12 LYS NZ :NH3+ 164:sc= -0.0665 (180deg=-0.321) USER MOD Single : A 13 ASN : amide:sc= -6.67! C(o=-6.7!,f=-13!) USER MOD Single : A 14 THR OG1 : rot 38:sc= 1.37 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN :FLIP amide:sc= -0.71 F(o=-2.4!,f=-0.71) USER MOD Single : A 23 TYR OH : rot 180:sc= 0.245 USER MOD Single : A 24 HIS : no HE2:sc= -7.04! C(o=-7!,f=-9.1!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 31 ASN : amide:sc=-0.00839 K(o=-0.0084,f=-0.97) USER MOD Single : A 35 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 36 TYR OH : rot 2:sc= 1.31 USER MOD Single : A 38 ASN : amide:sc= -0.56 K(o=-0.56,f=-2.3!) USER MOD Single : A 40 LYS NZ :NH3+ -165:sc= -0.0518 (180deg=-0.283) USER MOD Single : A 42 THR OG1 : rot -170:sc= -1.64! USER MOD Single : A 46 LYS NZ :NH3+ -165:sc= -0.0399 (180deg=-0.219) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= -0.0934 (180deg=-0.436) USER MOD Single : A 52 THR OG1 : rot -64:sc= -2.03! USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.159 F(o=-3!,f=-0.16) USER MOD Single : A 66 ASN :FLIP amide:sc=-0.00609 F(o=-0.83,f=-0.0061) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 92:sc= 1.3 USER MOD Single : A 76 TYR OH : rot -28:sc= -4.24! USER MOD Single : A 81 LYS NZ :NH3+ 171:sc=-0.00322 (180deg=-0.161) USER MOD Single : A 82 HIS : no HD1:sc= -2.37 K(o=-2.4,f=-6.4!) USER MOD Single : A 87 LYS NZ :NH3+ -168:sc=-0.00476 (180deg=-0.139) USER MOD Single : A 89 TYR OH : rot 178:sc= 1.17 USER MOD Single : A 92 SER OG : rot 180:sc= -2.77! USER MOD Single : A 95 MET CE :methyl -151:sc= -0.359 (180deg=-1.7) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 177:sc= 1.2 (180deg=1.15) USER MOD Single : A 102 MET CE :methyl 177:sc=-0.00472 (180deg=-0.0224) USER MOD Single : A 108 GLN : amide:sc= -0.0314 X(o=-0.031,f=-0.06) USER MOD Single : A 111 ASN : amide:sc= 0.131 K(o=0.13,f=-4.6!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 57:sc= 0.46 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 20.461 -2.357 2.489 1.00 6.29 N ATOM 2 CA ALA A 1 20.955 -2.585 1.115 1.00 5.64 C ATOM 3 C ALA A 1 21.689 -1.334 0.641 1.00 5.66 C ATOM 4 O ALA A 1 21.068 -0.329 0.307 1.00 5.80 O ATOM 5 CB ALA A 1 19.799 -2.955 0.172 1.00 5.37 C ATOM 0 H1 ALA A 1 19.959 -3.204 2.822 1.00 6.29 H new ATOM 0 H2 ALA A 1 21.265 -2.161 3.119 1.00 6.29 H new ATOM 0 H3 ALA A 1 19.811 -1.545 2.494 1.00 6.29 H new ATOM 0 HA ALA A 1 21.649 -3.426 1.109 1.00 5.64 H new ATOM 0 HB1 ALA A 1 20.187 -3.118 -0.833 1.00 5.37 H new ATOM 0 HB2 ALA A 1 19.317 -3.866 0.527 1.00 5.37 H new ATOM 0 HB3 ALA A 1 19.071 -2.144 0.153 1.00 5.37 H new ATOM 13 N MET A 2 23.021 -1.394 0.676 1.00 5.85 N ATOM 14 CA MET A 2 23.880 -0.277 0.266 1.00 6.17 C ATOM 15 C MET A 2 23.668 0.960 1.142 1.00 5.91 C ATOM 16 O MET A 2 23.853 2.090 0.686 1.00 6.19 O ATOM 17 CB MET A 2 23.655 0.082 -1.208 1.00 6.73 C ATOM 18 CG MET A 2 24.116 -0.993 -2.178 1.00 7.38 C ATOM 19 SD MET A 2 23.803 -0.555 -3.901 1.00 8.14 S ATOM 20 CE MET A 2 24.372 -2.037 -4.733 1.00 8.79 C ATOM 0 H MET A 2 23.537 -2.217 0.989 1.00 5.85 H new ATOM 0 HA MET A 2 24.910 -0.610 0.395 1.00 6.17 H new ATOM 0 HB2 MET A 2 22.594 0.272 -1.368 1.00 6.73 H new ATOM 0 HB3 MET A 2 24.182 1.010 -1.431 1.00 6.73 H new ATOM 0 HG2 MET A 2 25.183 -1.168 -2.040 1.00 7.38 H new ATOM 0 HG3 MET A 2 23.607 -1.928 -1.947 1.00 7.38 H new ATOM 0 HE1 MET A 2 24.244 -1.922 -5.809 1.00 8.79 H new ATOM 0 HE2 MET A 2 25.426 -2.198 -4.508 1.00 8.79 H new ATOM 0 HE3 MET A 2 23.792 -2.893 -4.388 1.00 8.79 H new ATOM 30 N GLY A 3 23.297 0.736 2.404 1.00 5.74 N ATOM 31 CA GLY A 3 23.066 1.837 3.328 1.00 5.81 C ATOM 32 C GLY A 3 21.949 2.750 2.877 1.00 5.28 C ATOM 33 O GLY A 3 22.196 3.814 2.312 1.00 5.54 O ATOM 0 H GLY A 3 23.152 -0.192 2.803 1.00 5.74 H new ATOM 0 HA2 GLY A 3 22.827 1.436 4.313 1.00 5.81 H new ATOM 0 HA3 GLY A 3 23.983 2.416 3.434 1.00 5.81 H new ATOM 37 N CYS A 4 20.719 2.354 3.140 1.00 4.84 N ATOM 38 CA CYS A 4 19.579 3.073 2.614 1.00 4.49 C ATOM 39 C CYS A 4 18.379 2.974 3.568 1.00 4.00 C ATOM 40 O CYS A 4 18.309 2.062 4.400 1.00 4.30 O ATOM 41 CB CYS A 4 19.297 2.544 1.212 1.00 4.71 C ATOM 42 SG CYS A 4 18.894 3.832 -0.018 1.00 5.14 S ATOM 0 H CYS A 4 20.486 1.542 3.712 1.00 4.84 H new ATOM 0 HA CYS A 4 19.788 4.140 2.538 1.00 4.49 H new ATOM 0 HB2 CYS A 4 20.168 1.989 0.865 1.00 4.71 H new ATOM 0 HB3 CYS A 4 18.469 1.838 1.264 1.00 4.71 H new ATOM 47 N LYS A 5 17.473 3.952 3.465 1.00 3.56 N ATOM 48 CA LYS A 5 16.377 4.163 4.428 1.00 3.21 C ATOM 49 C LYS A 5 15.508 2.935 4.679 1.00 2.60 C ATOM 50 O LYS A 5 15.464 1.999 3.885 1.00 2.48 O ATOM 51 CB LYS A 5 15.477 5.262 3.936 1.00 3.31 C ATOM 52 CG LYS A 5 14.656 5.951 5.020 1.00 3.91 C ATOM 53 CD LYS A 5 15.518 6.781 5.953 1.00 4.47 C ATOM 54 CE LYS A 5 14.671 7.533 6.971 1.00 5.34 C ATOM 55 NZ LYS A 5 13.684 8.438 6.320 1.00 5.99 N ATOM 0 H LYS A 5 17.477 4.630 2.703 1.00 3.56 H new ATOM 0 HA LYS A 5 16.867 4.413 5.369 1.00 3.21 H new ATOM 0 HB2 LYS A 5 16.086 6.011 3.430 1.00 3.31 H new ATOM 0 HB3 LYS A 5 14.796 4.849 3.192 1.00 3.31 H new ATOM 0 HG2 LYS A 5 13.907 6.592 4.554 1.00 3.91 H new ATOM 0 HG3 LYS A 5 14.118 5.200 5.598 1.00 3.91 H new ATOM 0 HD2 LYS A 5 16.223 6.132 6.473 1.00 4.47 H new ATOM 0 HD3 LYS A 5 16.107 7.491 5.372 1.00 4.47 H new ATOM 0 HE2 LYS A 5 14.144 6.818 7.603 1.00 5.34 H new ATOM 0 HE3 LYS A 5 15.321 8.116 7.623 1.00 5.34 H new ATOM 0 HZ1 LYS A 5 13.324 9.119 7.019 1.00 5.99 H new ATOM 0 HZ2 LYS A 5 14.145 8.952 5.542 1.00 5.99 H new ATOM 0 HZ3 LYS A 5 12.893 7.877 5.944 1.00 5.99 H new ATOM 69 N GLU A 6 14.824 2.969 5.814 1.00 2.54 N ATOM 70 CA GLU A 6 13.779 2.019 6.128 1.00 2.10 C ATOM 71 C GLU A 6 12.454 2.521 5.580 1.00 1.84 C ATOM 72 O GLU A 6 12.229 3.729 5.503 1.00 2.27 O ATOM 73 CB GLU A 6 13.676 1.822 7.640 1.00 2.49 C ATOM 74 CG GLU A 6 15.016 1.561 8.299 1.00 2.96 C ATOM 75 CD GLU A 6 15.686 2.820 8.813 1.00 3.57 C ATOM 76 OE1 GLU A 6 16.251 3.581 8.001 1.00 4.01 O ATOM 77 OE2 GLU A 6 15.659 3.050 10.038 1.00 3.94 O ATOM 0 H GLU A 6 14.984 3.663 6.544 1.00 2.54 H new ATOM 0 HA GLU A 6 14.022 1.061 5.668 1.00 2.10 H new ATOM 0 HB2 GLU A 6 13.225 2.709 8.086 1.00 2.49 H new ATOM 0 HB3 GLU A 6 13.007 0.986 7.847 1.00 2.49 H new ATOM 0 HG2 GLU A 6 14.876 0.867 9.128 1.00 2.96 H new ATOM 0 HG3 GLU A 6 15.677 1.073 7.583 1.00 2.96 H new ATOM 84 N ILE A 7 11.582 1.604 5.198 1.00 1.34 N ATOM 85 CA ILE A 7 10.332 1.978 4.554 1.00 1.10 C ATOM 86 C ILE A 7 9.151 1.623 5.410 1.00 0.99 C ATOM 87 O ILE A 7 9.215 0.725 6.248 1.00 1.30 O ATOM 88 CB ILE A 7 10.140 1.266 3.207 1.00 1.29 C ATOM 89 CG1 ILE A 7 11.439 1.168 2.500 1.00 1.73 C ATOM 90 CG2 ILE A 7 9.170 2.013 2.315 1.00 1.29 C ATOM 91 CD1 ILE A 7 12.001 2.502 2.221 1.00 2.00 C ATOM 0 H ILE A 7 11.714 0.600 5.321 1.00 1.34 H new ATOM 0 HA ILE A 7 10.391 3.056 4.401 1.00 1.10 H new ATOM 0 HB ILE A 7 9.738 0.275 3.417 1.00 1.29 H new ATOM 0 HG12 ILE A 7 12.142 0.595 3.105 1.00 1.73 H new ATOM 0 HG13 ILE A 7 11.306 0.625 1.565 1.00 1.73 H new ATOM 0 HG21 ILE A 7 9.059 1.480 1.371 1.00 1.29 H new ATOM 0 HG22 ILE A 7 8.201 2.082 2.809 1.00 1.29 H new ATOM 0 HG23 ILE A 7 9.551 3.016 2.123 1.00 1.29 H new ATOM 0 HD11 ILE A 7 12.953 2.394 1.702 1.00 2.00 H new ATOM 0 HD12 ILE A 7 11.308 3.065 1.595 1.00 2.00 H new ATOM 0 HD13 ILE A 7 12.157 3.034 3.159 1.00 2.00 H new ATOM 103 N GLU A 8 8.077 2.335 5.172 1.00 0.87 N ATOM 104 CA GLU A 8 6.805 2.029 5.772 1.00 0.93 C ATOM 105 C GLU A 8 5.712 2.079 4.715 1.00 0.86 C ATOM 106 O GLU A 8 5.428 3.140 4.157 1.00 1.29 O ATOM 107 CB GLU A 8 6.507 3.006 6.903 1.00 1.41 C ATOM 108 CG GLU A 8 7.510 2.927 8.040 1.00 1.71 C ATOM 109 CD GLU A 8 7.146 3.827 9.198 1.00 2.31 C ATOM 110 OE1 GLU A 8 6.665 3.312 10.230 1.00 2.70 O ATOM 111 OE2 GLU A 8 7.338 5.059 9.082 1.00 2.71 O ATOM 0 H GLU A 8 8.062 3.146 4.554 1.00 0.87 H new ATOM 0 HA GLU A 8 6.839 1.023 6.191 1.00 0.93 H new ATOM 0 HB2 GLU A 8 6.497 4.021 6.505 1.00 1.41 H new ATOM 0 HB3 GLU A 8 5.509 2.807 7.293 1.00 1.41 H new ATOM 0 HG2 GLU A 8 7.575 1.897 8.391 1.00 1.71 H new ATOM 0 HG3 GLU A 8 8.498 3.200 7.668 1.00 1.71 H new ATOM 118 N ILE A 9 5.122 0.927 4.423 1.00 0.65 N ATOM 119 CA ILE A 9 4.051 0.851 3.454 1.00 0.68 C ATOM 120 C ILE A 9 2.704 0.826 4.167 1.00 0.53 C ATOM 121 O ILE A 9 2.372 -0.135 4.863 1.00 0.68 O ATOM 122 CB ILE A 9 4.166 -0.342 2.465 1.00 0.91 C ATOM 123 CG1 ILE A 9 4.951 -1.549 3.009 1.00 0.93 C ATOM 124 CG2 ILE A 9 4.775 0.132 1.160 1.00 1.34 C ATOM 125 CD1 ILE A 9 6.175 -1.857 2.202 1.00 1.21 C ATOM 0 H ILE A 9 5.372 0.034 4.848 1.00 0.65 H new ATOM 0 HA ILE A 9 4.136 1.747 2.840 1.00 0.68 H new ATOM 0 HB ILE A 9 3.149 -0.702 2.308 1.00 0.91 H new ATOM 0 HG12 ILE A 9 5.242 -1.352 4.041 1.00 0.93 H new ATOM 0 HG13 ILE A 9 4.301 -2.424 3.022 1.00 0.93 H new ATOM 0 HG21 ILE A 9 4.854 -0.707 0.469 1.00 1.34 H new ATOM 0 HG22 ILE A 9 4.142 0.904 0.722 1.00 1.34 H new ATOM 0 HG23 ILE A 9 5.768 0.541 1.349 1.00 1.34 H new ATOM 0 HD11 ILE A 9 6.688 -2.717 2.633 1.00 1.21 H new ATOM 0 HD12 ILE A 9 5.887 -2.083 1.175 1.00 1.21 H new ATOM 0 HD13 ILE A 9 6.842 -0.995 2.210 1.00 1.21 H new ATOM 137 N VAL A 10 1.950 1.907 4.009 1.00 0.51 N ATOM 138 CA VAL A 10 0.692 2.088 4.727 1.00 0.46 C ATOM 139 C VAL A 10 -0.509 1.832 3.837 1.00 0.41 C ATOM 140 O VAL A 10 -0.528 2.204 2.662 1.00 0.44 O ATOM 141 CB VAL A 10 0.572 3.498 5.367 1.00 0.61 C ATOM 142 CG1 VAL A 10 1.712 4.406 4.941 1.00 0.92 C ATOM 143 CG2 VAL A 10 -0.770 4.132 5.040 1.00 0.77 C ATOM 0 H VAL A 10 2.190 2.678 3.385 1.00 0.51 H new ATOM 0 HA VAL A 10 0.701 1.349 5.528 1.00 0.46 H new ATOM 0 HB VAL A 10 0.637 3.370 6.448 1.00 0.61 H new ATOM 0 HG11 VAL A 10 1.593 5.383 5.409 1.00 0.92 H new ATOM 0 HG12 VAL A 10 2.661 3.968 5.251 1.00 0.92 H new ATOM 0 HG13 VAL A 10 1.701 4.519 3.857 1.00 0.92 H new ATOM 0 HG21 VAL A 10 -0.828 5.118 5.500 1.00 0.77 H new ATOM 0 HG22 VAL A 10 -0.873 4.229 3.959 1.00 0.77 H new ATOM 0 HG23 VAL A 10 -1.573 3.504 5.426 1.00 0.77 H new ATOM 153 N ILE A 11 -1.500 1.180 4.421 1.00 0.40 N ATOM 154 CA ILE A 11 -2.796 1.036 3.808 1.00 0.40 C ATOM 155 C ILE A 11 -3.835 1.770 4.639 1.00 0.44 C ATOM 156 O ILE A 11 -4.050 1.457 5.811 1.00 0.50 O ATOM 157 CB ILE A 11 -3.204 -0.444 3.679 1.00 0.47 C ATOM 158 CG1 ILE A 11 -2.266 -1.179 2.739 1.00 0.58 C ATOM 159 CG2 ILE A 11 -4.657 -0.582 3.240 1.00 0.53 C ATOM 160 CD1 ILE A 11 -2.069 -0.455 1.454 1.00 0.59 C ATOM 0 H ILE A 11 -1.421 0.737 5.336 1.00 0.40 H new ATOM 0 HA ILE A 11 -2.741 1.462 2.806 1.00 0.40 H new ATOM 0 HB ILE A 11 -3.120 -0.905 4.663 1.00 0.47 H new ATOM 0 HG12 ILE A 11 -1.301 -1.317 3.227 1.00 0.58 H new ATOM 0 HG13 ILE A 11 -2.665 -2.173 2.536 1.00 0.58 H new ATOM 0 HG21 ILE A 11 -4.914 -1.638 3.158 1.00 0.53 H new ATOM 0 HG22 ILE A 11 -5.306 -0.107 3.975 1.00 0.53 H new ATOM 0 HG23 ILE A 11 -4.792 -0.100 2.272 1.00 0.53 H new ATOM 0 HD11 ILE A 11 -1.390 -1.022 0.817 1.00 0.59 H new ATOM 0 HD12 ILE A 11 -3.029 -0.341 0.950 1.00 0.59 H new ATOM 0 HD13 ILE A 11 -1.644 0.529 1.652 1.00 0.59 H new ATOM 172 N LYS A 12 -4.434 2.771 4.039 1.00 0.46 N ATOM 173 CA LYS A 12 -5.497 3.526 4.666 1.00 0.52 C ATOM 174 C LYS A 12 -6.803 3.227 3.945 1.00 0.50 C ATOM 175 O LYS A 12 -6.798 2.704 2.830 1.00 0.62 O ATOM 176 CB LYS A 12 -5.186 5.022 4.562 1.00 0.55 C ATOM 177 CG LYS A 12 -5.463 5.822 5.823 1.00 0.72 C ATOM 178 CD LYS A 12 -6.936 6.163 5.984 1.00 1.32 C ATOM 179 CE LYS A 12 -7.183 7.011 7.224 1.00 1.65 C ATOM 180 NZ LYS A 12 -6.425 8.290 7.189 1.00 2.08 N ATOM 0 H LYS A 12 -4.198 3.087 3.098 1.00 0.46 H new ATOM 0 HA LYS A 12 -5.583 3.248 5.716 1.00 0.52 H new ATOM 0 HB2 LYS A 12 -4.136 5.142 4.296 1.00 0.55 H new ATOM 0 HB3 LYS A 12 -5.772 5.444 3.745 1.00 0.55 H new ATOM 0 HG2 LYS A 12 -5.128 5.254 6.691 1.00 0.72 H new ATOM 0 HG3 LYS A 12 -4.880 6.743 5.801 1.00 0.72 H new ATOM 0 HD2 LYS A 12 -7.285 6.699 5.101 1.00 1.32 H new ATOM 0 HD3 LYS A 12 -7.518 5.244 6.050 1.00 1.32 H new ATOM 0 HE2 LYS A 12 -8.248 7.224 7.310 1.00 1.65 H new ATOM 0 HE3 LYS A 12 -6.898 6.446 8.111 1.00 1.65 H new ATOM 0 HZ1 LYS A 12 -6.817 8.945 7.895 1.00 2.08 H new ATOM 0 HZ2 LYS A 12 -5.424 8.107 7.405 1.00 2.08 H new ATOM 0 HZ3 LYS A 12 -6.503 8.714 6.243 1.00 2.08 H new ATOM 194 N ASN A 13 -7.906 3.530 4.582 1.00 0.55 N ATOM 195 CA ASN A 13 -9.190 3.542 3.914 1.00 0.59 C ATOM 196 C ASN A 13 -9.982 4.706 4.460 1.00 0.58 C ATOM 197 O ASN A 13 -10.056 4.898 5.669 1.00 0.95 O ATOM 198 CB ASN A 13 -9.920 2.216 4.109 1.00 1.01 C ATOM 199 CG ASN A 13 -11.209 2.113 3.308 1.00 2.06 C ATOM 200 OD1 ASN A 13 -11.902 3.096 3.079 1.00 2.81 O ATOM 201 ND2 ASN A 13 -11.536 0.911 2.862 1.00 2.71 N ATOM 0 H ASN A 13 -7.943 3.774 5.572 1.00 0.55 H new ATOM 0 HA ASN A 13 -9.059 3.662 2.839 1.00 0.59 H new ATOM 0 HB2 ASN A 13 -9.257 1.399 3.823 1.00 1.01 H new ATOM 0 HB3 ASN A 13 -10.147 2.087 5.167 1.00 1.01 H new ATOM 0 HD21 ASN A 13 -12.385 0.785 2.311 1.00 2.71 H new ATOM 0 HD22 ASN A 13 -10.939 0.110 3.069 1.00 2.71 H new ATOM 208 N THR A 14 -10.527 5.509 3.572 1.00 0.47 N ATOM 209 CA THR A 14 -11.129 6.750 3.979 1.00 0.74 C ATOM 210 C THR A 14 -12.105 7.301 2.943 1.00 0.54 C ATOM 211 O THR A 14 -11.782 8.207 2.180 1.00 0.70 O ATOM 212 CB THR A 14 -10.031 7.787 4.289 1.00 1.38 C ATOM 213 OG1 THR A 14 -10.575 9.094 4.495 1.00 1.79 O ATOM 214 CG2 THR A 14 -9.055 7.823 3.153 1.00 1.78 C ATOM 0 H THR A 14 -10.563 5.322 2.570 1.00 0.47 H new ATOM 0 HA THR A 14 -11.710 6.548 4.879 1.00 0.74 H new ATOM 0 HB THR A 14 -9.532 7.487 5.211 1.00 1.38 H new ATOM 0 HG1 THR A 14 -11.423 9.022 4.981 1.00 1.79 H new ATOM 0 HG21 THR A 14 -8.276 8.555 3.366 1.00 1.78 H new ATOM 0 HG22 THR A 14 -8.604 6.838 3.029 1.00 1.78 H new ATOM 0 HG23 THR A 14 -9.574 8.102 2.236 1.00 1.78 H new ATOM 222 N LEU A 15 -13.293 6.725 2.876 1.00 0.49 N ATOM 223 CA LEU A 15 -14.359 7.343 2.122 1.00 0.68 C ATOM 224 C LEU A 15 -15.261 8.101 3.089 1.00 0.84 C ATOM 225 O LEU A 15 -15.767 9.179 2.789 1.00 1.18 O ATOM 226 CB LEU A 15 -15.249 6.358 1.334 1.00 0.88 C ATOM 227 CG LEU A 15 -14.561 5.469 0.317 1.00 0.97 C ATOM 228 CD1 LEU A 15 -13.363 4.862 0.907 1.00 0.90 C ATOM 229 CD2 LEU A 15 -15.511 4.420 -0.236 1.00 1.39 C ATOM 0 H LEU A 15 -13.537 5.844 3.328 1.00 0.49 H new ATOM 0 HA LEU A 15 -13.871 7.987 1.390 1.00 0.68 H new ATOM 0 HB2 LEU A 15 -15.762 5.717 2.051 1.00 0.88 H new ATOM 0 HB3 LEU A 15 -16.015 6.934 0.816 1.00 0.88 H new ATOM 0 HG LEU A 15 -14.249 6.085 -0.526 1.00 0.97 H new ATOM 0 HD11 LEU A 15 -12.876 4.225 0.168 1.00 0.90 H new ATOM 0 HD12 LEU A 15 -12.674 5.647 1.220 1.00 0.90 H new ATOM 0 HD13 LEU A 15 -13.647 4.262 1.772 1.00 0.90 H new ATOM 0 HD21 LEU A 15 -14.985 3.800 -0.962 1.00 1.39 H new ATOM 0 HD22 LEU A 15 -15.876 3.794 0.578 1.00 1.39 H new ATOM 0 HD23 LEU A 15 -16.354 4.912 -0.722 1.00 1.39 H new ATOM 241 N GLY A 16 -15.419 7.511 4.278 1.00 0.72 N ATOM 242 CA GLY A 16 -16.425 7.935 5.227 1.00 0.87 C ATOM 243 C GLY A 16 -16.733 6.824 6.217 1.00 0.77 C ATOM 244 O GLY A 16 -15.954 5.878 6.326 1.00 1.27 O ATOM 0 H GLY A 16 -14.849 6.728 4.599 1.00 0.72 H new ATOM 0 HA2 GLY A 16 -16.078 8.819 5.762 1.00 0.87 H new ATOM 0 HA3 GLY A 16 -17.334 8.219 4.698 1.00 0.87 H new ATOM 248 N PRO A 17 -17.859 6.901 6.939 1.00 0.67 N ATOM 249 CA PRO A 17 -18.166 5.984 8.053 1.00 0.76 C ATOM 250 C PRO A 17 -18.058 4.496 7.694 1.00 0.88 C ATOM 251 O PRO A 17 -18.640 4.041 6.710 1.00 1.27 O ATOM 252 CB PRO A 17 -19.612 6.338 8.407 1.00 1.02 C ATOM 253 CG PRO A 17 -19.773 7.749 7.967 1.00 1.42 C ATOM 254 CD PRO A 17 -18.933 7.888 6.729 1.00 1.13 C ATOM 0 HA PRO A 17 -17.451 6.109 8.866 1.00 0.76 H new ATOM 0 HB2 PRO A 17 -20.317 5.681 7.897 1.00 1.02 H new ATOM 0 HB3 PRO A 17 -19.795 6.233 9.476 1.00 1.02 H new ATOM 0 HG2 PRO A 17 -20.818 7.977 7.758 1.00 1.42 H new ATOM 0 HG3 PRO A 17 -19.444 8.441 8.743 1.00 1.42 H new ATOM 0 HD2 PRO A 17 -19.506 7.674 5.827 1.00 1.13 H new ATOM 0 HD3 PRO A 17 -18.537 8.898 6.622 1.00 1.13 H new ATOM 262 N SER A 18 -17.292 3.759 8.508 1.00 1.06 N ATOM 263 CA SER A 18 -17.157 2.302 8.387 1.00 1.31 C ATOM 264 C SER A 18 -16.644 1.882 7.013 1.00 1.10 C ATOM 265 O SER A 18 -17.093 0.882 6.446 1.00 1.50 O ATOM 266 CB SER A 18 -18.491 1.617 8.684 1.00 1.75 C ATOM 267 OG SER A 18 -18.962 1.947 9.984 1.00 2.18 O ATOM 0 H SER A 18 -16.746 4.158 9.272 1.00 1.06 H new ATOM 0 HA SER A 18 -16.417 1.985 9.122 1.00 1.31 H new ATOM 0 HB2 SER A 18 -19.230 1.916 7.940 1.00 1.75 H new ATOM 0 HB3 SER A 18 -18.374 0.537 8.600 1.00 1.75 H new ATOM 0 HG SER A 18 -19.817 1.497 10.146 1.00 2.18 H new ATOM 273 N ARG A 19 -15.708 2.644 6.477 1.00 0.81 N ATOM 274 CA ARG A 19 -15.064 2.269 5.236 1.00 0.66 C ATOM 275 C ARG A 19 -13.997 1.229 5.475 1.00 0.64 C ATOM 276 O ARG A 19 -12.946 1.523 6.042 1.00 1.02 O ATOM 277 CB ARG A 19 -14.443 3.474 4.550 1.00 0.68 C ATOM 278 CG ARG A 19 -15.300 4.087 3.481 1.00 1.15 C ATOM 279 CD ARG A 19 -16.748 4.259 3.907 1.00 1.94 C ATOM 280 NE ARG A 19 -17.555 3.066 3.651 1.00 2.51 N ATOM 281 CZ ARG A 19 -18.887 3.054 3.666 1.00 3.32 C ATOM 282 NH1 ARG A 19 -19.564 4.178 3.878 1.00 3.76 N ATOM 283 NH2 ARG A 19 -19.543 1.920 3.455 1.00 3.99 N ATOM 0 H ARG A 19 -15.380 3.521 6.881 1.00 0.81 H new ATOM 0 HA ARG A 19 -15.835 1.852 4.588 1.00 0.66 H new ATOM 0 HB2 ARG A 19 -14.223 4.232 5.302 1.00 0.68 H new ATOM 0 HB3 ARG A 19 -13.491 3.176 4.110 1.00 0.68 H new ATOM 0 HG2 ARG A 19 -14.890 5.059 3.207 1.00 1.15 H new ATOM 0 HG3 ARG A 19 -15.261 3.462 2.589 1.00 1.15 H new ATOM 0 HD2 ARG A 19 -16.784 4.496 4.970 1.00 1.94 H new ATOM 0 HD3 ARG A 19 -17.181 5.107 3.376 1.00 1.94 H new ATOM 0 HE ARG A 19 -17.069 2.192 3.449 1.00 2.51 H new ATOM 0 HH11 ARG A 19 -19.064 5.054 4.030 1.00 3.76 H new ATOM 0 HH12 ARG A 19 -20.584 4.165 3.889 1.00 3.76 H new ATOM 0 HH21 ARG A 19 -19.027 1.057 3.281 1.00 3.99 H new ATOM 0 HH22 ARG A 19 -20.563 1.911 3.467 1.00 3.99 H new ATOM 297 N ILE A 20 -14.268 0.011 5.044 1.00 0.52 N ATOM 298 CA ILE A 20 -13.288 -1.050 5.147 1.00 0.51 C ATOM 299 C ILE A 20 -13.146 -1.767 3.820 1.00 0.54 C ATOM 300 O ILE A 20 -14.019 -1.727 2.952 1.00 0.76 O ATOM 301 CB ILE A 20 -13.590 -2.115 6.234 1.00 0.65 C ATOM 302 CG1 ILE A 20 -14.496 -1.561 7.305 1.00 0.78 C ATOM 303 CG2 ILE A 20 -12.299 -2.604 6.879 1.00 0.72 C ATOM 304 CD1 ILE A 20 -13.807 -0.628 8.242 1.00 0.83 C ATOM 0 H ILE A 20 -15.154 -0.266 4.622 1.00 0.52 H new ATOM 0 HA ILE A 20 -12.367 -0.545 5.439 1.00 0.51 H new ATOM 0 HB ILE A 20 -14.092 -2.948 5.742 1.00 0.65 H new ATOM 0 HG12 ILE A 20 -15.328 -1.040 6.832 1.00 0.78 H new ATOM 0 HG13 ILE A 20 -14.920 -2.388 7.875 1.00 0.78 H new ATOM 0 HG21 ILE A 20 -12.532 -3.350 7.639 1.00 0.72 H new ATOM 0 HG22 ILE A 20 -11.658 -3.049 6.118 1.00 0.72 H new ATOM 0 HG23 ILE A 20 -11.783 -1.763 7.343 1.00 0.72 H new ATOM 0 HD11 ILE A 20 -14.518 -0.268 8.986 1.00 0.83 H new ATOM 0 HD12 ILE A 20 -12.992 -1.151 8.742 1.00 0.83 H new ATOM 0 HD13 ILE A 20 -13.406 0.218 7.684 1.00 0.83 H new ATOM 316 N LEU A 21 -12.019 -2.396 3.714 1.00 0.50 N ATOM 317 CA LEU A 21 -11.580 -3.200 2.573 1.00 0.55 C ATOM 318 C LEU A 21 -10.732 -4.269 3.211 1.00 0.52 C ATOM 319 O LEU A 21 -10.842 -4.407 4.411 1.00 0.75 O ATOM 320 CB LEU A 21 -10.826 -2.367 1.514 1.00 0.72 C ATOM 321 CG LEU A 21 -11.738 -1.579 0.564 1.00 1.39 C ATOM 322 CD1 LEU A 21 -10.926 -0.899 -0.516 1.00 2.23 C ATOM 323 CD2 LEU A 21 -12.783 -2.492 -0.064 1.00 2.20 C ATOM 0 H LEU A 21 -11.323 -2.373 4.459 1.00 0.50 H new ATOM 0 HA LEU A 21 -12.409 -3.618 2.002 1.00 0.55 H new ATOM 0 HB2 LEU A 21 -10.162 -1.669 2.023 1.00 0.72 H new ATOM 0 HB3 LEU A 21 -10.197 -3.034 0.925 1.00 0.72 H new ATOM 0 HG LEU A 21 -12.251 -0.815 1.148 1.00 1.39 H new ATOM 0 HD11 LEU A 21 -11.592 -0.346 -1.178 1.00 2.23 H new ATOM 0 HD12 LEU A 21 -10.216 -0.210 -0.058 1.00 2.23 H new ATOM 0 HD13 LEU A 21 -10.384 -1.650 -1.091 1.00 2.23 H new ATOM 0 HD21 LEU A 21 -13.418 -1.912 -0.733 1.00 2.20 H new ATOM 0 HD22 LEU A 21 -12.285 -3.280 -0.629 1.00 2.20 H new ATOM 0 HD23 LEU A 21 -13.395 -2.938 0.720 1.00 2.20 H new ATOM 335 N GLN A 22 -10.124 -5.179 2.499 1.00 0.47 N ATOM 336 CA GLN A 22 -9.057 -5.940 3.118 1.00 0.47 C ATOM 337 C GLN A 22 -7.887 -6.065 2.144 1.00 0.42 C ATOM 338 O GLN A 22 -8.044 -6.606 1.056 1.00 0.51 O ATOM 339 CB GLN A 22 -9.564 -7.313 3.521 1.00 0.60 C ATOM 340 CG GLN A 22 -8.528 -8.089 4.272 1.00 0.71 C ATOM 341 CD GLN A 22 -8.674 -9.592 4.111 1.00 0.97 C ATOM 342 OE1 GLN A 22 -9.142 -10.027 2.951 1.00 1.69 O flip ATOM 343 NE2 GLN A 22 -8.359 -10.359 5.019 1.00 1.34 N flip ATOM 0 H GLN A 22 -10.332 -5.411 1.528 1.00 0.47 H new ATOM 0 HA GLN A 22 -8.716 -5.423 4.015 1.00 0.47 H new ATOM 0 HB2 GLN A 22 -10.456 -7.204 4.139 1.00 0.60 H new ATOM 0 HB3 GLN A 22 -9.859 -7.868 2.630 1.00 0.60 H new ATOM 0 HG2 GLN A 22 -7.538 -7.788 3.929 1.00 0.71 H new ATOM 0 HG3 GLN A 22 -8.590 -7.836 5.330 1.00 0.71 H new ATOM 0 HE21 GLN A 22 -8.002 -9.988 5.899 1.00 1.34 H new ATOM 0 HE22 GLN A 22 -8.455 -11.366 4.892 1.00 1.34 H new ATOM 352 N TYR A 23 -6.717 -5.563 2.523 1.00 0.42 N ATOM 353 CA TYR A 23 -5.579 -5.577 1.621 1.00 0.42 C ATOM 354 C TYR A 23 -4.666 -6.730 1.945 1.00 0.41 C ATOM 355 O TYR A 23 -4.634 -7.230 3.070 1.00 0.49 O ATOM 356 CB TYR A 23 -4.758 -4.285 1.680 1.00 0.52 C ATOM 357 CG TYR A 23 -3.879 -4.183 2.906 1.00 0.50 C ATOM 358 CD1 TYR A 23 -4.347 -3.671 4.101 1.00 0.54 C ATOM 359 CD2 TYR A 23 -2.565 -4.603 2.849 1.00 0.58 C ATOM 360 CE1 TYR A 23 -3.523 -3.576 5.210 1.00 0.61 C ATOM 361 CE2 TYR A 23 -1.734 -4.519 3.947 1.00 0.63 C ATOM 362 CZ TYR A 23 -2.217 -4.003 5.125 1.00 0.63 C ATOM 363 OH TYR A 23 -1.384 -3.902 6.216 1.00 0.74 O ATOM 0 H TYR A 23 -6.536 -5.147 3.437 1.00 0.42 H new ATOM 0 HA TYR A 23 -5.991 -5.677 0.617 1.00 0.42 H new ATOM 0 HB2 TYR A 23 -4.134 -4.220 0.789 1.00 0.52 H new ATOM 0 HB3 TYR A 23 -5.436 -3.432 1.657 1.00 0.52 H new ATOM 0 HD1 TYR A 23 -5.372 -3.339 4.171 1.00 0.54 H new ATOM 0 HD2 TYR A 23 -2.179 -5.006 1.924 1.00 0.58 H new ATOM 0 HE1 TYR A 23 -3.903 -3.169 6.136 1.00 0.61 H new ATOM 0 HE2 TYR A 23 -0.710 -4.857 3.881 1.00 0.63 H new ATOM 0 HH TYR A 23 -0.498 -4.250 5.984 1.00 0.74 H new ATOM 373 N HIS A 24 -3.926 -7.140 0.949 1.00 0.50 N ATOM 374 CA HIS A 24 -2.843 -8.054 1.147 1.00 0.57 C ATOM 375 C HIS A 24 -1.581 -7.477 0.553 1.00 0.60 C ATOM 376 O HIS A 24 -1.374 -7.546 -0.655 1.00 0.58 O ATOM 377 CB HIS A 24 -3.130 -9.406 0.508 1.00 0.61 C ATOM 378 CG HIS A 24 -2.019 -10.384 0.722 1.00 0.71 C ATOM 379 ND1 HIS A 24 -1.058 -10.209 1.697 1.00 0.75 N ATOM 380 CD2 HIS A 24 -1.706 -11.536 0.084 1.00 0.85 C ATOM 381 CE1 HIS A 24 -0.201 -11.212 1.648 1.00 0.88 C ATOM 382 NE2 HIS A 24 -0.573 -12.029 0.681 1.00 0.94 N ATOM 0 H HIS A 24 -4.060 -6.848 -0.019 1.00 0.50 H new ATOM 0 HA HIS A 24 -2.720 -8.204 2.220 1.00 0.57 H new ATOM 0 HB2 HIS A 24 -4.053 -9.812 0.922 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -3.292 -9.272 -0.562 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -1.016 -9.428 2.352 1.00 0.75 H new ATOM 0 HD2 HIS A 24 -2.245 -11.982 -0.738 1.00 0.85 H new ATOM 0 HE1 HIS A 24 0.658 -11.342 2.290 1.00 0.88 H new ATOM 391 N CYS A 25 -0.749 -6.898 1.390 1.00 0.71 N ATOM 392 CA CYS A 25 0.567 -6.522 0.944 1.00 0.74 C ATOM 393 C CYS A 25 1.502 -7.687 1.159 1.00 0.91 C ATOM 394 O CYS A 25 1.603 -8.229 2.262 1.00 1.01 O ATOM 395 CB CYS A 25 1.090 -5.271 1.650 1.00 0.79 C ATOM 396 SG CYS A 25 0.096 -3.765 1.382 1.00 1.12 S ATOM 0 H CYS A 25 -0.957 -6.682 2.365 1.00 0.71 H new ATOM 0 HA CYS A 25 0.512 -6.273 -0.116 1.00 0.74 H new ATOM 0 HB2 CYS A 25 1.140 -5.470 2.721 1.00 0.79 H new ATOM 0 HB3 CYS A 25 2.109 -5.081 1.313 1.00 0.79 H new ATOM 401 N ARG A 26 2.147 -8.094 0.091 1.00 1.14 N ATOM 402 CA ARG A 26 3.039 -9.227 0.130 1.00 1.38 C ATOM 403 C ARG A 26 4.258 -8.921 -0.693 1.00 1.87 C ATOM 404 O ARG A 26 4.201 -8.119 -1.623 1.00 2.24 O ATOM 405 CB ARG A 26 2.374 -10.491 -0.415 1.00 1.45 C ATOM 406 CG ARG A 26 2.040 -10.419 -1.899 1.00 2.13 C ATOM 407 CD ARG A 26 2.142 -11.786 -2.553 1.00 2.66 C ATOM 408 NE ARG A 26 3.501 -12.327 -2.460 1.00 3.26 N ATOM 409 CZ ARG A 26 3.815 -13.607 -2.652 1.00 4.00 C ATOM 410 NH1 ARG A 26 2.876 -14.488 -2.973 1.00 4.21 N ATOM 411 NH2 ARG A 26 5.075 -13.999 -2.525 1.00 4.86 N ATOM 0 H ARG A 26 2.068 -7.651 -0.825 1.00 1.14 H new ATOM 0 HA ARG A 26 3.309 -9.408 1.170 1.00 1.38 H new ATOM 0 HB2 ARG A 26 3.034 -11.341 -0.242 1.00 1.45 H new ATOM 0 HB3 ARG A 26 1.458 -10.679 0.145 1.00 1.45 H new ATOM 0 HG2 ARG A 26 1.032 -10.025 -2.029 1.00 2.13 H new ATOM 0 HG3 ARG A 26 2.719 -9.725 -2.394 1.00 2.13 H new ATOM 0 HD2 ARG A 26 1.443 -12.472 -2.075 1.00 2.66 H new ATOM 0 HD3 ARG A 26 1.850 -11.712 -3.601 1.00 2.66 H new ATOM 0 HE ARG A 26 4.256 -11.680 -2.233 1.00 3.26 H new ATOM 0 HH11 ARG A 26 1.907 -14.186 -3.074 1.00 4.21 H new ATOM 0 HH12 ARG A 26 3.123 -15.467 -3.119 1.00 4.21 H new ATOM 0 HH21 ARG A 26 5.798 -13.322 -2.281 1.00 4.86 H new ATOM 0 HH22 ARG A 26 5.322 -14.978 -2.671 1.00 4.86 H new ATOM 425 N SER A 27 5.348 -9.549 -0.345 1.00 2.10 N ATOM 426 CA SER A 27 6.570 -9.379 -1.073 1.00 2.66 C ATOM 427 C SER A 27 6.895 -10.636 -1.856 1.00 2.39 C ATOM 428 O SER A 27 6.363 -11.709 -1.562 1.00 2.70 O ATOM 429 CB SER A 27 7.688 -9.016 -0.104 1.00 3.73 C ATOM 430 OG SER A 27 8.958 -9.430 -0.561 1.00 4.43 O ATOM 0 H SER A 27 5.412 -10.189 0.447 1.00 2.10 H new ATOM 0 HA SER A 27 6.461 -8.567 -1.792 1.00 2.66 H new ATOM 0 HB2 SER A 27 7.695 -7.937 0.049 1.00 3.73 H new ATOM 0 HB3 SER A 27 7.487 -9.474 0.865 1.00 3.73 H new ATOM 0 HG SER A 27 9.639 -9.187 0.101 1.00 4.43 H new ATOM 436 N GLY A 28 7.741 -10.489 -2.866 1.00 2.45 N ATOM 437 CA GLY A 28 8.225 -11.626 -3.612 1.00 2.54 C ATOM 438 C GLY A 28 8.771 -12.700 -2.694 1.00 2.68 C ATOM 439 O GLY A 28 8.682 -13.891 -2.990 1.00 3.22 O ATOM 0 H GLY A 28 8.103 -9.589 -3.183 1.00 2.45 H new ATOM 0 HA2 GLY A 28 7.416 -12.038 -4.215 1.00 2.54 H new ATOM 0 HA3 GLY A 28 9.005 -11.305 -4.302 1.00 2.54 H new ATOM 443 N ASN A 29 9.318 -12.277 -1.563 1.00 2.60 N ATOM 444 CA ASN A 29 9.817 -13.228 -0.572 1.00 2.96 C ATOM 445 C ASN A 29 9.315 -12.912 0.846 1.00 2.76 C ATOM 446 O ASN A 29 9.179 -13.811 1.672 1.00 3.04 O ATOM 447 CB ASN A 29 11.349 -13.261 -0.592 1.00 3.49 C ATOM 448 CG ASN A 29 11.919 -14.396 0.240 1.00 4.17 C ATOM 449 OD1 ASN A 29 12.178 -14.242 1.432 1.00 4.66 O ATOM 450 ND2 ASN A 29 12.131 -15.542 -0.386 1.00 4.63 N ATOM 0 H ASN A 29 9.428 -11.296 -1.308 1.00 2.60 H new ATOM 0 HA ASN A 29 9.427 -14.209 -0.844 1.00 2.96 H new ATOM 0 HB2 ASN A 29 11.693 -13.361 -1.621 1.00 3.49 H new ATOM 0 HB3 ASN A 29 11.734 -12.312 -0.218 1.00 3.49 H new ATOM 0 HD21 ASN A 29 12.522 -16.336 0.122 1.00 4.63 H new ATOM 0 HD22 ASN A 29 11.903 -15.632 -1.376 1.00 4.63 H new ATOM 457 N THR A 30 9.019 -11.646 1.121 1.00 2.45 N ATOM 458 CA THR A 30 8.666 -11.223 2.479 1.00 2.33 C ATOM 459 C THR A 30 7.147 -11.100 2.674 1.00 2.07 C ATOM 460 O THR A 30 6.537 -10.102 2.299 1.00 2.10 O ATOM 461 CB THR A 30 9.355 -9.881 2.829 1.00 2.45 C ATOM 462 OG1 THR A 30 10.229 -9.486 1.757 1.00 2.93 O ATOM 463 CG2 THR A 30 10.165 -10.022 4.102 1.00 2.70 C ATOM 0 H THR A 30 9.015 -10.896 0.429 1.00 2.45 H new ATOM 0 HA THR A 30 9.023 -11.999 3.156 1.00 2.33 H new ATOM 0 HB THR A 30 8.584 -9.124 2.974 1.00 2.45 H new ATOM 0 HG1 THR A 30 10.661 -8.636 1.983 1.00 2.93 H new ATOM 0 HG21 THR A 30 10.644 -9.071 4.336 1.00 2.70 H new ATOM 0 HG22 THR A 30 9.507 -10.308 4.922 1.00 2.70 H new ATOM 0 HG23 THR A 30 10.928 -10.788 3.965 1.00 2.70 H new ATOM 471 N ASN A 31 6.543 -12.119 3.269 1.00 1.97 N ATOM 472 CA ASN A 31 5.107 -12.108 3.548 1.00 1.75 C ATOM 473 C ASN A 31 4.850 -11.584 4.953 1.00 1.78 C ATOM 474 O ASN A 31 5.666 -11.794 5.855 1.00 2.34 O ATOM 475 CB ASN A 31 4.520 -13.515 3.403 1.00 2.09 C ATOM 476 CG ASN A 31 4.507 -13.996 1.966 1.00 2.43 C ATOM 477 OD1 ASN A 31 4.335 -13.209 1.034 1.00 2.89 O ATOM 478 ND2 ASN A 31 4.692 -15.290 1.778 1.00 2.98 N ATOM 0 H ASN A 31 7.023 -12.967 3.570 1.00 1.97 H new ATOM 0 HA ASN A 31 4.622 -11.450 2.827 1.00 1.75 H new ATOM 0 HB2 ASN A 31 5.100 -14.211 4.010 1.00 2.09 H new ATOM 0 HB3 ASN A 31 3.503 -13.522 3.794 1.00 2.09 H new ATOM 0 HD21 ASN A 31 4.696 -15.673 0.832 1.00 2.98 H new ATOM 0 HD22 ASN A 31 4.831 -15.907 2.578 1.00 2.98 H new ATOM 485 N VAL A 32 3.733 -10.888 5.144 1.00 1.39 N ATOM 486 CA VAL A 32 3.417 -10.310 6.447 1.00 1.52 C ATOM 487 C VAL A 32 1.984 -10.614 6.890 1.00 1.38 C ATOM 488 O VAL A 32 1.787 -11.245 7.929 1.00 2.10 O ATOM 489 CB VAL A 32 3.672 -8.782 6.477 1.00 2.13 C ATOM 490 CG1 VAL A 32 3.038 -8.148 7.708 1.00 2.68 C ATOM 491 CG2 VAL A 32 5.168 -8.498 6.464 1.00 2.64 C ATOM 0 H VAL A 32 3.037 -10.711 4.420 1.00 1.39 H new ATOM 0 HA VAL A 32 4.093 -10.787 7.157 1.00 1.52 H new ATOM 0 HB VAL A 32 3.215 -8.346 5.589 1.00 2.13 H new ATOM 0 HG11 VAL A 32 3.231 -7.075 7.705 1.00 2.68 H new ATOM 0 HG12 VAL A 32 1.962 -8.323 7.694 1.00 2.68 H new ATOM 0 HG13 VAL A 32 3.466 -8.592 8.607 1.00 2.68 H new ATOM 0 HG21 VAL A 32 5.334 -7.421 6.485 1.00 2.64 H new ATOM 0 HG22 VAL A 32 5.633 -8.954 7.338 1.00 2.64 H new ATOM 0 HG23 VAL A 32 5.610 -8.915 5.559 1.00 2.64 H new ATOM 501 N GLY A 33 0.981 -10.194 6.120 1.00 1.00 N ATOM 502 CA GLY A 33 -0.379 -10.334 6.581 1.00 1.43 C ATOM 503 C GLY A 33 -1.396 -9.838 5.583 1.00 0.99 C ATOM 504 O GLY A 33 -1.042 -9.266 4.543 1.00 1.13 O ATOM 0 H GLY A 33 1.089 -9.767 5.200 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -0.576 -11.383 6.800 1.00 1.43 H new ATOM 0 HA3 GLY A 33 -0.498 -9.785 7.515 1.00 1.43 H new ATOM 508 N VAL A 34 -2.662 -10.072 5.902 1.00 0.80 N ATOM 509 CA VAL A 34 -3.776 -9.725 5.029 1.00 0.56 C ATOM 510 C VAL A 34 -4.979 -9.269 5.862 1.00 0.63 C ATOM 511 O VAL A 34 -5.790 -10.106 6.257 1.00 1.03 O ATOM 512 CB VAL A 34 -4.244 -10.933 4.209 1.00 0.89 C ATOM 513 CG1 VAL A 34 -5.249 -10.481 3.163 1.00 1.17 C ATOM 514 CG2 VAL A 34 -3.065 -11.645 3.581 1.00 1.06 C ATOM 0 H VAL A 34 -2.947 -10.510 6.778 1.00 0.80 H new ATOM 0 HA VAL A 34 -3.422 -8.933 4.369 1.00 0.56 H new ATOM 0 HB VAL A 34 -4.735 -11.648 4.870 1.00 0.89 H new ATOM 0 HG11 VAL A 34 -5.580 -11.341 2.581 1.00 1.17 H new ATOM 0 HG12 VAL A 34 -6.107 -10.024 3.656 1.00 1.17 H new ATOM 0 HG13 VAL A 34 -4.782 -9.753 2.500 1.00 1.17 H new ATOM 0 HG21 VAL A 34 -3.421 -12.499 3.004 1.00 1.06 H new ATOM 0 HG22 VAL A 34 -2.534 -10.958 2.922 1.00 1.06 H new ATOM 0 HG23 VAL A 34 -2.390 -11.992 4.364 1.00 1.06 H new ATOM 524 N GLN A 35 -5.103 -7.973 6.135 1.00 0.63 N ATOM 525 CA GLN A 35 -6.198 -7.457 6.973 1.00 0.85 C ATOM 526 C GLN A 35 -6.429 -5.994 6.775 1.00 0.70 C ATOM 527 O GLN A 35 -5.749 -5.352 5.986 1.00 0.82 O ATOM 528 CB GLN A 35 -5.951 -7.724 8.460 1.00 1.45 C ATOM 529 CG GLN A 35 -6.293 -9.129 8.899 1.00 2.06 C ATOM 530 CD GLN A 35 -6.283 -9.294 10.405 1.00 2.71 C ATOM 531 OE1 GLN A 35 -5.445 -8.526 11.084 1.00 3.16 O flip ATOM 532 NE2 GLN A 35 -7.023 -10.108 10.955 1.00 3.28 N flip ATOM 0 H GLN A 35 -4.463 -7.256 5.792 1.00 0.63 H new ATOM 0 HA GLN A 35 -7.089 -7.996 6.653 1.00 0.85 H new ATOM 0 HB2 GLN A 35 -4.902 -7.530 8.684 1.00 1.45 H new ATOM 0 HB3 GLN A 35 -6.538 -7.018 9.047 1.00 1.45 H new ATOM 0 HG2 GLN A 35 -7.278 -9.394 8.516 1.00 2.06 H new ATOM 0 HG3 GLN A 35 -5.581 -9.826 8.457 1.00 2.06 H new ATOM 0 HE21 GLN A 35 -7.655 -10.682 10.396 1.00 3.28 H new ATOM 0 HE22 GLN A 35 -7.005 -10.209 11.970 1.00 3.28 H new ATOM 541 N TYR A 36 -7.419 -5.467 7.488 1.00 0.78 N ATOM 542 CA TYR A 36 -7.860 -4.142 7.191 1.00 0.73 C ATOM 543 C TYR A 36 -7.966 -3.154 8.323 1.00 0.78 C ATOM 544 O TYR A 36 -7.828 -3.470 9.504 1.00 1.06 O ATOM 545 CB TYR A 36 -9.111 -4.100 6.449 1.00 0.94 C ATOM 546 CG TYR A 36 -8.816 -3.155 5.340 1.00 1.62 C ATOM 547 CD1 TYR A 36 -7.846 -3.405 4.399 1.00 2.09 C ATOM 548 CD2 TYR A 36 -9.582 -2.023 5.227 1.00 2.13 C ATOM 549 CE1 TYR A 36 -7.634 -2.546 3.365 1.00 3.04 C ATOM 550 CE2 TYR A 36 -9.374 -1.138 4.190 1.00 3.13 C ATOM 551 CZ TYR A 36 -8.149 -1.406 3.321 1.00 3.57 C ATOM 552 OH TYR A 36 -8.177 -0.542 2.213 1.00 4.60 O ATOM 0 H TYR A 36 -7.909 -5.934 8.251 1.00 0.78 H new ATOM 0 HA TYR A 36 -7.018 -3.812 6.582 1.00 0.73 H new ATOM 0 HB2 TYR A 36 -9.391 -5.085 6.075 1.00 0.94 H new ATOM 0 HB3 TYR A 36 -9.936 -3.748 7.069 1.00 0.94 H new ATOM 0 HD1 TYR A 36 -7.243 -4.297 4.481 1.00 2.09 H new ATOM 0 HD2 TYR A 36 -10.354 -1.823 5.956 1.00 2.13 H new ATOM 0 HE1 TYR A 36 -6.997 -2.860 2.551 1.00 3.04 H new ATOM 0 HE2 TYR A 36 -10.038 -0.306 4.004 1.00 3.13 H new ATOM 0 HH TYR A 36 -7.751 -0.979 1.446 1.00 4.60 H new ATOM 562 N LEU A 37 -8.239 -1.933 7.881 1.00 0.72 N ATOM 563 CA LEU A 37 -8.428 -0.779 8.715 1.00 0.89 C ATOM 564 C LEU A 37 -9.721 -0.072 8.305 1.00 0.70 C ATOM 565 O LEU A 37 -10.294 -0.346 7.225 1.00 0.61 O ATOM 566 CB LEU A 37 -7.241 0.172 8.552 1.00 1.23 C ATOM 567 CG LEU A 37 -6.495 0.510 9.847 1.00 1.93 C ATOM 568 CD1 LEU A 37 -7.369 1.350 10.766 1.00 2.72 C ATOM 569 CD2 LEU A 37 -6.064 -0.762 10.558 1.00 2.57 C ATOM 0 H LEU A 37 -8.336 -1.723 6.888 1.00 0.72 H new ATOM 0 HA LEU A 37 -8.496 -1.085 9.759 1.00 0.89 H new ATOM 0 HB2 LEU A 37 -6.535 -0.271 7.849 1.00 1.23 H new ATOM 0 HB3 LEU A 37 -7.598 1.099 8.104 1.00 1.23 H new ATOM 0 HG LEU A 37 -5.607 1.087 9.588 1.00 1.93 H new ATOM 0 HD11 LEU A 37 -6.821 1.579 11.680 1.00 2.72 H new ATOM 0 HD12 LEU A 37 -7.640 2.278 10.263 1.00 2.72 H new ATOM 0 HD13 LEU A 37 -8.274 0.795 11.015 1.00 2.72 H new ATOM 0 HD21 LEU A 37 -5.535 -0.505 11.476 1.00 2.57 H new ATOM 0 HD22 LEU A 37 -6.943 -1.359 10.801 1.00 2.57 H new ATOM 0 HD23 LEU A 37 -5.404 -1.336 9.908 1.00 2.57 H new ATOM 581 N ASN A 38 -10.184 0.805 9.179 1.00 0.78 N ATOM 582 CA ASN A 38 -11.364 1.606 8.924 1.00 0.73 C ATOM 583 C ASN A 38 -10.980 3.017 8.522 1.00 0.68 C ATOM 584 O ASN A 38 -9.798 3.369 8.476 1.00 0.75 O ATOM 585 CB ASN A 38 -12.252 1.664 10.169 1.00 0.94 C ATOM 586 CG ASN A 38 -11.561 2.319 11.351 1.00 1.62 C ATOM 587 OD1 ASN A 38 -11.630 3.532 11.530 1.00 2.32 O ATOM 588 ND2 ASN A 38 -10.899 1.523 12.173 1.00 2.29 N ATOM 0 H ASN A 38 -9.751 0.980 10.086 1.00 0.78 H new ATOM 0 HA ASN A 38 -11.913 1.138 8.107 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -13.163 2.215 9.935 1.00 0.94 H new ATOM 0 HB3 ASN A 38 -12.552 0.653 10.444 1.00 0.94 H new ATOM 0 HD21 ASN A 38 -10.424 1.912 12.988 1.00 2.29 H new ATOM 0 HD22 ASN A 38 -10.863 0.520 11.993 1.00 2.29 H new ATOM 595 N PHE A 39 -11.997 3.818 8.258 1.00 0.68 N ATOM 596 CA PHE A 39 -11.808 5.225 7.950 1.00 0.72 C ATOM 597 C PHE A 39 -11.456 5.999 9.220 1.00 0.83 C ATOM 598 O PHE A 39 -12.329 6.547 9.900 1.00 1.66 O ATOM 599 CB PHE A 39 -13.059 5.790 7.251 1.00 0.85 C ATOM 600 CG PHE A 39 -13.156 7.293 7.259 1.00 1.07 C ATOM 601 CD1 PHE A 39 -12.116 8.068 6.779 1.00 1.35 C ATOM 602 CD2 PHE A 39 -14.293 7.923 7.711 1.00 1.43 C ATOM 603 CE1 PHE A 39 -12.208 9.444 6.751 1.00 1.80 C ATOM 604 CE2 PHE A 39 -14.393 9.302 7.692 1.00 1.87 C ATOM 605 CZ PHE A 39 -13.319 10.064 7.341 1.00 2.03 C ATOM 0 H PHE A 39 -12.971 3.515 8.251 1.00 0.68 H new ATOM 0 HA PHE A 39 -10.973 5.337 7.259 1.00 0.72 H new ATOM 0 HB2 PHE A 39 -13.069 5.444 6.218 1.00 0.85 H new ATOM 0 HB3 PHE A 39 -13.946 5.379 7.734 1.00 0.85 H new ATOM 0 HD1 PHE A 39 -11.217 7.588 6.420 1.00 1.35 H new ATOM 0 HD2 PHE A 39 -15.117 7.333 8.085 1.00 1.43 H new ATOM 0 HE1 PHE A 39 -11.436 10.035 6.282 1.00 1.80 H new ATOM 0 HE2 PHE A 39 -15.326 9.777 7.956 1.00 1.87 H new ATOM 0 HZ PHE A 39 -13.323 11.130 7.515 1.00 2.03 H new ATOM 615 N LYS A 40 -10.160 6.005 9.534 1.00 0.86 N ATOM 616 CA LYS A 40 -9.627 6.723 10.691 1.00 0.97 C ATOM 617 C LYS A 40 -8.132 6.454 10.859 1.00 0.72 C ATOM 618 O LYS A 40 -7.380 7.333 11.285 1.00 1.17 O ATOM 619 CB LYS A 40 -10.359 6.334 11.979 1.00 1.52 C ATOM 620 CG LYS A 40 -9.928 7.147 13.189 1.00 2.18 C ATOM 621 CD LYS A 40 -10.686 6.741 14.442 1.00 2.89 C ATOM 622 CE LYS A 40 -10.236 7.553 15.647 1.00 3.36 C ATOM 623 NZ LYS A 40 -8.789 7.362 15.940 1.00 3.76 N ATOM 0 H LYS A 40 -9.450 5.512 8.993 1.00 0.86 H new ATOM 0 HA LYS A 40 -9.784 7.786 10.507 1.00 0.97 H new ATOM 0 HB2 LYS A 40 -11.432 6.459 11.830 1.00 1.52 H new ATOM 0 HB3 LYS A 40 -10.186 5.277 12.181 1.00 1.52 H new ATOM 0 HG2 LYS A 40 -8.858 7.015 13.353 1.00 2.18 H new ATOM 0 HG3 LYS A 40 -10.092 8.206 12.992 1.00 2.18 H new ATOM 0 HD2 LYS A 40 -11.755 6.882 14.285 1.00 2.89 H new ATOM 0 HD3 LYS A 40 -10.530 5.680 14.637 1.00 2.89 H new ATOM 0 HE2 LYS A 40 -10.433 8.610 15.466 1.00 3.36 H new ATOM 0 HE3 LYS A 40 -10.823 7.264 16.519 1.00 3.36 H new ATOM 0 HZ1 LYS A 40 -8.578 7.717 16.895 1.00 3.76 H new ATOM 0 HZ2 LYS A 40 -8.555 6.350 15.887 1.00 3.76 H new ATOM 0 HZ3 LYS A 40 -8.222 7.885 15.243 1.00 3.76 H new ATOM 637 N GLY A 41 -7.692 5.246 10.520 1.00 0.71 N ATOM 638 CA GLY A 41 -6.316 4.880 10.765 1.00 1.13 C ATOM 639 C GLY A 41 -5.636 4.241 9.572 1.00 0.94 C ATOM 640 O GLY A 41 -6.187 4.190 8.472 1.00 1.09 O ATOM 0 H GLY A 41 -8.262 4.521 10.083 1.00 0.71 H new ATOM 0 HA2 GLY A 41 -5.759 5.770 11.056 1.00 1.13 H new ATOM 0 HA3 GLY A 41 -6.277 4.190 11.608 1.00 1.13 H new ATOM 644 N THR A 42 -4.442 3.741 9.820 1.00 0.82 N ATOM 645 CA THR A 42 -3.584 3.159 8.795 1.00 0.68 C ATOM 646 C THR A 42 -3.083 1.783 9.225 1.00 0.65 C ATOM 647 O THR A 42 -3.102 1.449 10.413 1.00 0.75 O ATOM 648 CB THR A 42 -2.371 4.070 8.540 1.00 0.69 C ATOM 649 OG1 THR A 42 -1.919 4.640 9.776 1.00 0.81 O ATOM 650 CG2 THR A 42 -2.718 5.174 7.564 1.00 0.71 C ATOM 0 H THR A 42 -4.030 3.725 10.753 1.00 0.82 H new ATOM 0 HA THR A 42 -4.172 3.059 7.883 1.00 0.68 H new ATOM 0 HB THR A 42 -1.575 3.465 8.106 1.00 0.69 H new ATOM 0 HG1 THR A 42 -1.254 5.336 9.592 1.00 0.81 H new ATOM 0 HG21 THR A 42 -1.843 5.804 7.401 1.00 0.71 H new ATOM 0 HG22 THR A 42 -3.032 4.736 6.616 1.00 0.71 H new ATOM 0 HG23 THR A 42 -3.529 5.778 7.971 1.00 0.71 H new ATOM 658 N ARG A 43 -2.642 0.992 8.264 1.00 0.58 N ATOM 659 CA ARG A 43 -2.018 -0.288 8.547 1.00 0.58 C ATOM 660 C ARG A 43 -0.635 -0.279 7.939 1.00 0.52 C ATOM 661 O ARG A 43 -0.493 -0.284 6.716 1.00 0.50 O ATOM 662 CB ARG A 43 -2.837 -1.446 7.984 1.00 0.67 C ATOM 663 CG ARG A 43 -3.273 -2.444 9.047 1.00 0.86 C ATOM 664 CD ARG A 43 -2.088 -3.028 9.804 1.00 1.27 C ATOM 665 NE ARG A 43 -1.239 -3.858 8.955 1.00 1.59 N ATOM 666 CZ ARG A 43 0.002 -4.228 9.271 1.00 2.26 C ATOM 667 NH1 ARG A 43 0.576 -3.783 10.384 1.00 2.74 N ATOM 668 NH2 ARG A 43 0.672 -5.039 8.464 1.00 3.01 N ATOM 0 H ARG A 43 -2.705 1.217 7.271 1.00 0.58 H new ATOM 0 HA ARG A 43 -1.961 -0.432 9.626 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -3.720 -1.049 7.484 1.00 0.67 H new ATOM 0 HB3 ARG A 43 -2.248 -1.965 7.227 1.00 0.67 H new ATOM 0 HG2 ARG A 43 -3.946 -1.953 9.750 1.00 0.86 H new ATOM 0 HG3 ARG A 43 -3.836 -3.251 8.577 1.00 0.86 H new ATOM 0 HD2 ARG A 43 -1.494 -2.217 10.225 1.00 1.27 H new ATOM 0 HD3 ARG A 43 -2.453 -3.623 10.641 1.00 1.27 H new ATOM 0 HE ARG A 43 -1.619 -4.175 8.063 1.00 1.59 H new ATOM 0 HH11 ARG A 43 0.067 -3.153 11.004 1.00 2.74 H new ATOM 0 HH12 ARG A 43 1.526 -4.071 10.618 1.00 2.74 H new ATOM 0 HH21 ARG A 43 0.238 -5.377 7.605 1.00 3.01 H new ATOM 0 HH22 ARG A 43 1.622 -5.325 8.702 1.00 3.01 H new ATOM 682 N ILE A 44 0.383 -0.243 8.779 1.00 0.52 N ATOM 683 CA ILE A 44 1.708 0.063 8.292 1.00 0.51 C ATOM 684 C ILE A 44 2.662 -1.106 8.380 1.00 0.58 C ATOM 685 O ILE A 44 2.839 -1.736 9.423 1.00 0.66 O ATOM 686 CB ILE A 44 2.332 1.271 9.007 1.00 0.53 C ATOM 687 CG1 ILE A 44 1.384 2.457 8.966 1.00 0.56 C ATOM 688 CG2 ILE A 44 3.623 1.653 8.322 1.00 0.59 C ATOM 689 CD1 ILE A 44 0.438 2.537 10.144 1.00 0.61 C ATOM 0 H ILE A 44 0.318 -0.419 9.782 1.00 0.52 H new ATOM 0 HA ILE A 44 1.561 0.306 7.240 1.00 0.51 H new ATOM 0 HB ILE A 44 2.525 1.000 10.045 1.00 0.53 H new ATOM 0 HG12 ILE A 44 1.970 3.375 8.922 1.00 0.56 H new ATOM 0 HG13 ILE A 44 0.799 2.408 8.048 1.00 0.56 H new ATOM 0 HG21 ILE A 44 4.065 2.510 8.830 1.00 0.59 H new ATOM 0 HG22 ILE A 44 4.316 0.813 8.358 1.00 0.59 H new ATOM 0 HG23 ILE A 44 3.421 1.912 7.283 1.00 0.59 H new ATOM 0 HD11 ILE A 44 -0.204 3.412 10.037 1.00 0.61 H new ATOM 0 HD12 ILE A 44 -0.177 1.638 10.178 1.00 0.61 H new ATOM 0 HD13 ILE A 44 1.012 2.619 11.067 1.00 0.61 H new ATOM 701 N ILE A 45 3.258 -1.373 7.245 1.00 0.61 N ATOM 702 CA ILE A 45 4.314 -2.341 7.101 1.00 0.74 C ATOM 703 C ILE A 45 5.659 -1.656 7.108 1.00 0.77 C ATOM 704 O ILE A 45 5.741 -0.455 6.871 1.00 0.79 O ATOM 705 CB ILE A 45 4.144 -3.049 5.796 1.00 0.95 C ATOM 706 CG1 ILE A 45 2.781 -3.611 5.749 1.00 1.11 C ATOM 707 CG2 ILE A 45 5.175 -4.132 5.568 1.00 1.62 C ATOM 708 CD1 ILE A 45 2.408 -3.971 4.363 1.00 1.20 C ATOM 0 H ILE A 45 3.014 -0.908 6.370 1.00 0.61 H new ATOM 0 HA ILE A 45 4.267 -3.046 7.931 1.00 0.74 H new ATOM 0 HB ILE A 45 4.293 -2.326 4.994 1.00 0.95 H new ATOM 0 HG12 ILE A 45 2.725 -4.493 6.386 1.00 1.11 H new ATOM 0 HG13 ILE A 45 2.070 -2.886 6.145 1.00 1.11 H new ATOM 0 HG21 ILE A 45 4.996 -4.607 4.604 1.00 1.62 H new ATOM 0 HG22 ILE A 45 6.172 -3.692 5.577 1.00 1.62 H new ATOM 0 HG23 ILE A 45 5.100 -4.878 6.359 1.00 1.62 H new ATOM 0 HD11 ILE A 45 1.399 -4.383 4.353 1.00 1.20 H new ATOM 0 HD12 ILE A 45 2.443 -3.081 3.734 1.00 1.20 H new ATOM 0 HD13 ILE A 45 3.107 -4.714 3.979 1.00 1.20 H new ATOM 720 N LYS A 46 6.704 -2.406 7.354 1.00 0.90 N ATOM 721 CA LYS A 46 8.036 -1.838 7.304 1.00 0.97 C ATOM 722 C LYS A 46 9.092 -2.877 6.935 1.00 1.10 C ATOM 723 O LYS A 46 8.914 -4.065 7.184 1.00 1.20 O ATOM 724 CB LYS A 46 8.390 -1.197 8.648 1.00 1.10 C ATOM 725 CG LYS A 46 8.334 -2.173 9.812 1.00 1.35 C ATOM 726 CD LYS A 46 8.747 -1.518 11.116 1.00 1.85 C ATOM 727 CE LYS A 46 8.643 -2.488 12.280 1.00 2.11 C ATOM 728 NZ LYS A 46 7.242 -2.928 12.514 1.00 2.65 N ATOM 0 H LYS A 46 6.665 -3.398 7.588 1.00 0.90 H new ATOM 0 HA LYS A 46 8.032 -1.077 6.523 1.00 0.97 H new ATOM 0 HB2 LYS A 46 9.392 -0.772 8.587 1.00 1.10 H new ATOM 0 HB3 LYS A 46 7.704 -0.372 8.841 1.00 1.10 H new ATOM 0 HG2 LYS A 46 7.322 -2.567 9.908 1.00 1.35 H new ATOM 0 HG3 LYS A 46 8.988 -3.021 9.608 1.00 1.35 H new ATOM 0 HD2 LYS A 46 9.771 -1.154 11.034 1.00 1.85 H new ATOM 0 HD3 LYS A 46 8.115 -0.651 11.306 1.00 1.85 H new ATOM 0 HE2 LYS A 46 9.269 -3.359 12.083 1.00 2.11 H new ATOM 0 HE3 LYS A 46 9.030 -2.015 13.182 1.00 2.11 H new ATOM 0 HZ1 LYS A 46 7.170 -3.375 13.450 1.00 2.65 H new ATOM 0 HZ2 LYS A 46 6.608 -2.104 12.474 1.00 2.65 H new ATOM 0 HZ3 LYS A 46 6.966 -3.613 11.781 1.00 2.65 H new ATOM 742 N PHE A 47 10.180 -2.390 6.343 1.00 1.20 N ATOM 743 CA PHE A 47 11.359 -3.177 5.985 1.00 1.41 C ATOM 744 C PHE A 47 12.409 -2.185 5.522 1.00 1.59 C ATOM 745 O PHE A 47 12.063 -1.057 5.178 1.00 1.68 O ATOM 746 CB PHE A 47 11.086 -4.291 4.952 1.00 1.50 C ATOM 747 CG PHE A 47 10.744 -5.607 5.616 1.00 1.87 C ATOM 748 CD1 PHE A 47 9.678 -6.394 5.188 1.00 2.53 C ATOM 749 CD2 PHE A 47 11.468 -6.026 6.724 1.00 2.17 C ATOM 750 CE1 PHE A 47 9.352 -7.558 5.854 1.00 3.14 C ATOM 751 CE2 PHE A 47 11.151 -7.196 7.380 1.00 2.69 C ATOM 752 CZ PHE A 47 10.091 -7.962 6.948 1.00 3.10 C ATOM 0 H PHE A 47 10.269 -1.406 6.091 1.00 1.20 H new ATOM 0 HA PHE A 47 11.705 -3.737 6.854 1.00 1.41 H new ATOM 0 HB2 PHE A 47 10.265 -3.989 4.301 1.00 1.50 H new ATOM 0 HB3 PHE A 47 11.964 -4.421 4.319 1.00 1.50 H new ATOM 0 HD1 PHE A 47 9.101 -6.091 4.327 1.00 2.53 H new ATOM 0 HD2 PHE A 47 12.293 -5.425 7.078 1.00 2.17 H new ATOM 0 HE1 PHE A 47 8.517 -8.154 5.518 1.00 3.14 H new ATOM 0 HE2 PHE A 47 11.734 -7.512 8.233 1.00 2.69 H new ATOM 0 HZ PHE A 47 9.838 -8.877 7.464 1.00 3.10 H new ATOM 762 N LYS A 48 13.670 -2.562 5.516 1.00 1.83 N ATOM 763 CA LYS A 48 14.703 -1.551 5.654 1.00 2.13 C ATOM 764 C LYS A 48 16.029 -1.882 4.962 1.00 2.50 C ATOM 765 O LYS A 48 16.996 -2.269 5.622 1.00 3.01 O ATOM 766 CB LYS A 48 14.898 -1.359 7.149 1.00 2.46 C ATOM 767 CG LYS A 48 15.133 -2.654 7.917 1.00 3.10 C ATOM 768 CD LYS A 48 15.439 -2.396 9.382 1.00 3.81 C ATOM 769 CE LYS A 48 16.793 -1.729 9.561 1.00 4.36 C ATOM 770 NZ LYS A 48 17.902 -2.572 9.035 1.00 4.90 N ATOM 0 H LYS A 48 13.999 -3.523 5.421 1.00 1.83 H new ATOM 0 HA LYS A 48 14.376 -0.642 5.149 1.00 2.13 H new ATOM 0 HB2 LYS A 48 15.746 -0.694 7.311 1.00 2.46 H new ATOM 0 HB3 LYS A 48 14.019 -0.861 7.558 1.00 2.46 H new ATOM 0 HG2 LYS A 48 14.251 -3.289 7.837 1.00 3.10 H new ATOM 0 HG3 LYS A 48 15.961 -3.200 7.464 1.00 3.10 H new ATOM 0 HD2 LYS A 48 14.662 -1.764 9.811 1.00 3.81 H new ATOM 0 HD3 LYS A 48 15.422 -3.338 9.930 1.00 3.81 H new ATOM 0 HE2 LYS A 48 16.794 -0.767 9.049 1.00 4.36 H new ATOM 0 HE3 LYS A 48 16.961 -1.527 10.619 1.00 4.36 H new ATOM 0 HZ1 LYS A 48 18.805 -2.246 9.435 1.00 4.90 H new ATOM 0 HZ2 LYS A 48 17.742 -3.564 9.304 1.00 4.90 H new ATOM 0 HZ3 LYS A 48 17.935 -2.495 7.998 1.00 4.90 H new ATOM 784 N ASP A 49 16.102 -1.670 3.645 1.00 2.76 N ATOM 785 CA ASP A 49 17.325 -1.929 2.896 1.00 3.32 C ATOM 786 C ASP A 49 17.480 -1.042 1.645 1.00 3.36 C ATOM 787 O ASP A 49 18.000 0.055 1.753 1.00 3.77 O ATOM 788 CB ASP A 49 17.415 -3.403 2.546 1.00 4.26 C ATOM 789 CG ASP A 49 17.997 -4.237 3.670 1.00 4.93 C ATOM 790 OD1 ASP A 49 19.229 -4.184 3.863 1.00 5.45 O ATOM 791 OD2 ASP A 49 17.239 -4.961 4.350 1.00 5.24 O ATOM 0 H ASP A 49 15.328 -1.320 3.080 1.00 2.76 H new ATOM 0 HA ASP A 49 18.159 -1.661 3.545 1.00 3.32 H new ATOM 0 HB2 ASP A 49 16.420 -3.775 2.300 1.00 4.26 H new ATOM 0 HB3 ASP A 49 18.030 -3.523 1.654 1.00 4.26 H new ATOM 796 N ASP A 50 17.052 -1.550 0.476 1.00 3.50 N ATOM 797 CA ASP A 50 17.102 -0.849 -0.837 1.00 3.96 C ATOM 798 C ASP A 50 16.941 -1.846 -1.973 1.00 4.13 C ATOM 799 O ASP A 50 17.627 -2.861 -2.020 1.00 4.41 O ATOM 800 CB ASP A 50 18.400 -0.076 -1.068 1.00 4.66 C ATOM 801 CG ASP A 50 18.511 0.450 -2.490 1.00 5.23 C ATOM 802 OD1 ASP A 50 19.475 0.081 -3.196 1.00 5.65 O ATOM 803 OD2 ASP A 50 17.621 1.213 -2.919 1.00 5.56 O ATOM 0 H ASP A 50 16.649 -2.485 0.407 1.00 3.50 H new ATOM 0 HA ASP A 50 16.282 -0.132 -0.818 1.00 3.96 H new ATOM 0 HB2 ASP A 50 18.453 0.759 -0.369 1.00 4.66 H new ATOM 0 HB3 ASP A 50 19.250 -0.725 -0.855 1.00 4.66 H new ATOM 808 N GLY A 51 16.004 -1.582 -2.863 1.00 4.42 N ATOM 809 CA GLY A 51 15.898 -2.401 -4.059 1.00 5.01 C ATOM 810 C GLY A 51 14.865 -1.938 -5.076 1.00 5.12 C ATOM 811 O GLY A 51 14.315 -2.767 -5.783 1.00 5.72 O ATOM 0 H GLY A 51 15.321 -0.828 -2.787 1.00 4.42 H new ATOM 0 HA2 GLY A 51 16.873 -2.433 -4.545 1.00 5.01 H new ATOM 0 HA3 GLY A 51 15.657 -3.421 -3.760 1.00 5.01 H new ATOM 815 N THR A 52 14.618 -0.630 -5.157 1.00 4.86 N ATOM 816 CA THR A 52 13.667 -0.034 -6.135 1.00 5.25 C ATOM 817 C THR A 52 12.208 -0.431 -5.844 1.00 5.04 C ATOM 818 O THR A 52 11.912 -0.946 -4.770 1.00 4.76 O ATOM 819 CB THR A 52 14.016 -0.334 -7.613 1.00 5.76 C ATOM 820 OG1 THR A 52 13.790 -1.699 -7.954 1.00 5.54 O ATOM 821 CG2 THR A 52 15.455 0.022 -7.914 1.00 6.40 C ATOM 0 H THR A 52 15.065 0.059 -4.552 1.00 4.86 H new ATOM 0 HA THR A 52 13.772 1.042 -5.998 1.00 5.25 H new ATOM 0 HB THR A 52 13.352 0.285 -8.217 1.00 5.76 H new ATOM 0 HG1 THR A 52 14.397 -2.270 -7.439 1.00 5.54 H new ATOM 0 HG21 THR A 52 15.674 -0.199 -8.959 1.00 6.40 H new ATOM 0 HG22 THR A 52 15.614 1.084 -7.726 1.00 6.40 H new ATOM 0 HG23 THR A 52 16.116 -0.562 -7.274 1.00 6.40 H new ATOM 829 N GLU A 53 11.292 -0.179 -6.795 1.00 5.50 N ATOM 830 CA GLU A 53 9.866 -0.128 -6.477 1.00 5.71 C ATOM 831 C GLU A 53 8.963 -1.125 -7.236 1.00 5.89 C ATOM 832 O GLU A 53 7.762 -1.156 -6.978 1.00 6.33 O ATOM 833 CB GLU A 53 9.382 1.277 -6.799 1.00 6.53 C ATOM 834 CG GLU A 53 10.181 2.369 -6.116 1.00 6.78 C ATOM 835 CD GLU A 53 10.007 3.713 -6.786 1.00 7.39 C ATOM 836 OE1 GLU A 53 10.512 3.885 -7.915 1.00 7.81 O ATOM 837 OE2 GLU A 53 9.385 4.611 -6.182 1.00 7.67 O ATOM 0 H GLU A 53 11.515 -0.010 -7.776 1.00 5.50 H new ATOM 0 HA GLU A 53 9.783 -0.406 -5.426 1.00 5.71 H new ATOM 0 HB2 GLU A 53 9.425 1.428 -7.878 1.00 6.53 H new ATOM 0 HB3 GLU A 53 8.336 1.367 -6.506 1.00 6.53 H new ATOM 0 HG2 GLU A 53 9.873 2.443 -5.073 1.00 6.78 H new ATOM 0 HG3 GLU A 53 11.237 2.099 -6.118 1.00 6.78 H new ATOM 844 N ARG A 54 9.488 -1.918 -8.165 1.00 5.89 N ATOM 845 CA ARG A 54 8.591 -2.711 -9.032 1.00 6.41 C ATOM 846 C ARG A 54 8.228 -4.137 -8.538 1.00 5.90 C ATOM 847 O ARG A 54 7.044 -4.470 -8.474 1.00 6.48 O ATOM 848 CB ARG A 54 9.151 -2.786 -10.454 1.00 7.06 C ATOM 849 CG ARG A 54 8.974 -1.501 -11.254 1.00 7.90 C ATOM 850 CD ARG A 54 7.504 -1.135 -11.413 1.00 8.75 C ATOM 851 NE ARG A 54 7.311 -0.009 -12.326 1.00 9.31 N ATOM 852 CZ ARG A 54 6.141 0.604 -12.521 1.00 10.15 C ATOM 853 NH1 ARG A 54 5.061 0.215 -11.859 1.00 10.53 N ATOM 854 NH2 ARG A 54 6.050 1.604 -13.385 1.00 10.77 N ATOM 0 H ARG A 54 10.486 -2.035 -8.342 1.00 5.89 H new ATOM 0 HA ARG A 54 7.650 -2.162 -9.001 1.00 6.41 H new ATOM 0 HB2 ARG A 54 10.213 -3.028 -10.404 1.00 7.06 H new ATOM 0 HB3 ARG A 54 8.662 -3.603 -10.984 1.00 7.06 H new ATOM 0 HG2 ARG A 54 9.500 -0.687 -10.756 1.00 7.90 H new ATOM 0 HG3 ARG A 54 9.428 -1.619 -12.238 1.00 7.90 H new ATOM 0 HD2 ARG A 54 6.954 -2.000 -11.784 1.00 8.75 H new ATOM 0 HD3 ARG A 54 7.086 -0.886 -10.438 1.00 8.75 H new ATOM 0 HE ARG A 54 8.121 0.329 -12.846 1.00 9.31 H new ATOM 0 HH11 ARG A 54 5.120 -0.557 -11.195 1.00 10.53 H new ATOM 0 HH12 ARG A 54 4.170 0.688 -12.013 1.00 10.53 H new ATOM 0 HH21 ARG A 54 6.875 1.907 -13.903 1.00 10.77 H new ATOM 0 HH22 ARG A 54 5.155 2.071 -13.532 1.00 10.77 H new ATOM 868 N SER A 55 9.203 -4.978 -8.192 1.00 5.08 N ATOM 869 CA SER A 55 8.934 -6.418 -8.029 1.00 4.86 C ATOM 870 C SER A 55 9.326 -6.983 -6.653 1.00 3.87 C ATOM 871 O SER A 55 10.309 -7.707 -6.522 1.00 3.94 O ATOM 872 CB SER A 55 9.669 -7.185 -9.125 1.00 5.52 C ATOM 873 OG SER A 55 9.419 -6.608 -10.397 1.00 6.28 O ATOM 0 H SER A 55 10.170 -4.701 -8.021 1.00 5.08 H new ATOM 0 HA SER A 55 7.854 -6.544 -8.106 1.00 4.86 H new ATOM 0 HB2 SER A 55 10.740 -7.181 -8.923 1.00 5.52 H new ATOM 0 HB3 SER A 55 9.349 -8.227 -9.124 1.00 5.52 H new ATOM 0 HG SER A 55 9.900 -7.113 -11.085 1.00 6.28 H new ATOM 879 N ARG A 56 8.539 -6.655 -5.644 1.00 3.37 N ATOM 880 CA ARG A 56 8.673 -7.215 -4.301 1.00 2.70 C ATOM 881 C ARG A 56 7.331 -7.139 -3.631 1.00 2.24 C ATOM 882 O ARG A 56 6.580 -8.100 -3.591 1.00 2.47 O ATOM 883 CB ARG A 56 9.712 -6.431 -3.500 1.00 3.43 C ATOM 884 CG ARG A 56 10.195 -7.115 -2.227 1.00 4.15 C ATOM 885 CD ARG A 56 10.869 -8.442 -2.526 1.00 4.75 C ATOM 886 NE ARG A 56 11.715 -8.901 -1.419 1.00 5.53 N ATOM 887 CZ ARG A 56 12.592 -9.903 -1.523 1.00 6.18 C ATOM 888 NH1 ARG A 56 12.704 -10.571 -2.665 1.00 6.21 N ATOM 889 NH2 ARG A 56 13.354 -10.241 -0.490 1.00 7.08 N ATOM 0 H ARG A 56 7.776 -5.983 -5.730 1.00 3.37 H new ATOM 0 HA ARG A 56 9.007 -8.251 -4.357 1.00 2.70 H new ATOM 0 HB2 ARG A 56 10.573 -6.239 -4.140 1.00 3.43 H new ATOM 0 HB3 ARG A 56 9.289 -5.462 -3.236 1.00 3.43 H new ATOM 0 HG2 ARG A 56 10.893 -6.461 -1.705 1.00 4.15 H new ATOM 0 HG3 ARG A 56 9.350 -7.278 -1.558 1.00 4.15 H new ATOM 0 HD2 ARG A 56 10.108 -9.194 -2.734 1.00 4.75 H new ATOM 0 HD3 ARG A 56 11.475 -8.344 -3.427 1.00 4.75 H new ATOM 0 HE ARG A 56 11.629 -8.428 -0.519 1.00 5.53 H new ATOM 0 HH11 ARG A 56 12.120 -10.319 -3.463 1.00 6.21 H new ATOM 0 HH12 ARG A 56 13.374 -11.336 -2.745 1.00 6.21 H new ATOM 0 HH21 ARG A 56 13.272 -9.734 0.391 1.00 7.08 H new ATOM 0 HH22 ARG A 56 14.021 -11.007 -0.578 1.00 7.08 H new ATOM 903 N TRP A 57 7.021 -5.967 -3.172 1.00 1.83 N ATOM 904 CA TRP A 57 5.784 -5.735 -2.464 1.00 1.49 C ATOM 905 C TRP A 57 4.691 -5.266 -3.394 1.00 1.19 C ATOM 906 O TRP A 57 4.879 -4.348 -4.194 1.00 1.43 O ATOM 907 CB TRP A 57 5.980 -4.736 -1.332 1.00 1.69 C ATOM 908 CG TRP A 57 6.750 -5.315 -0.202 1.00 1.83 C ATOM 909 CD1 TRP A 57 8.100 -5.450 -0.110 1.00 1.56 C ATOM 910 CD2 TRP A 57 6.203 -5.855 0.996 1.00 2.78 C ATOM 911 NE1 TRP A 57 8.429 -6.068 1.066 1.00 1.85 N ATOM 912 CE2 TRP A 57 7.277 -6.316 1.773 1.00 2.70 C ATOM 913 CE3 TRP A 57 4.904 -5.994 1.486 1.00 3.91 C ATOM 914 CZ2 TRP A 57 7.089 -6.912 3.013 1.00 3.65 C ATOM 915 CZ3 TRP A 57 4.719 -6.582 2.717 1.00 4.90 C ATOM 916 CH2 TRP A 57 5.806 -7.034 3.468 1.00 4.75 C ATOM 0 H TRP A 57 7.611 -5.141 -3.273 1.00 1.83 H new ATOM 0 HA TRP A 57 5.475 -6.688 -2.035 1.00 1.49 H new ATOM 0 HB2 TRP A 57 6.500 -3.857 -1.711 1.00 1.69 H new ATOM 0 HB3 TRP A 57 5.007 -4.401 -0.973 1.00 1.69 H new ATOM 0 HD1 TRP A 57 8.808 -5.118 -0.855 1.00 1.56 H new ATOM 0 HE1 TRP A 57 9.374 -6.305 1.368 1.00 1.85 H new ATOM 0 HE3 TRP A 57 4.059 -5.647 0.910 1.00 3.91 H new ATOM 0 HZ2 TRP A 57 7.926 -7.266 3.597 1.00 3.65 H new ATOM 0 HZ3 TRP A 57 3.718 -6.695 3.108 1.00 4.90 H new ATOM 0 HH2 TRP A 57 5.629 -7.491 4.431 1.00 4.75 H new ATOM 927 N ASN A 58 3.565 -5.936 -3.294 1.00 0.91 N ATOM 928 CA ASN A 58 2.358 -5.535 -3.981 1.00 0.71 C ATOM 929 C ASN A 58 1.204 -5.658 -2.999 1.00 0.59 C ATOM 930 O ASN A 58 1.248 -6.504 -2.102 1.00 0.71 O ATOM 931 CB ASN A 58 2.096 -6.421 -5.206 1.00 0.74 C ATOM 932 CG ASN A 58 3.198 -6.345 -6.246 1.00 1.23 C ATOM 933 OD1 ASN A 58 3.158 -5.512 -7.149 1.00 2.05 O ATOM 934 ND2 ASN A 58 4.184 -7.223 -6.133 1.00 1.91 N ATOM 0 H ASN A 58 3.460 -6.780 -2.730 1.00 0.91 H new ATOM 0 HA ASN A 58 2.462 -4.509 -4.335 1.00 0.71 H new ATOM 0 HB2 ASN A 58 1.983 -7.455 -4.881 1.00 0.74 H new ATOM 0 HB3 ASN A 58 1.152 -6.126 -5.664 1.00 0.74 H new ATOM 0 HD21 ASN A 58 4.947 -7.223 -6.810 1.00 1.91 H new ATOM 0 HD22 ASN A 58 4.180 -7.898 -5.369 1.00 1.91 H new ATOM 941 N CYS A 59 0.185 -4.834 -3.147 1.00 0.55 N ATOM 942 CA CYS A 59 -0.937 -4.852 -2.221 1.00 0.50 C ATOM 943 C CYS A 59 -2.240 -5.092 -2.964 1.00 0.44 C ATOM 944 O CYS A 59 -2.538 -4.422 -3.946 1.00 0.56 O ATOM 945 CB CYS A 59 -0.997 -3.544 -1.432 1.00 0.60 C ATOM 946 SG CYS A 59 0.533 -3.181 -0.509 1.00 0.76 S ATOM 0 H CYS A 59 0.108 -4.145 -3.895 1.00 0.55 H new ATOM 0 HA CYS A 59 -0.792 -5.672 -1.517 1.00 0.50 H new ATOM 0 HB2 CYS A 59 -1.201 -2.723 -2.120 1.00 0.60 H new ATOM 0 HB3 CYS A 59 -1.832 -3.589 -0.733 1.00 0.60 H new ATOM 951 N LEU A 60 -3.025 -6.043 -2.487 1.00 0.36 N ATOM 952 CA LEU A 60 -4.227 -6.440 -3.172 1.00 0.34 C ATOM 953 C LEU A 60 -5.389 -6.183 -2.254 1.00 0.29 C ATOM 954 O LEU A 60 -5.437 -6.734 -1.161 1.00 0.32 O ATOM 955 CB LEU A 60 -4.169 -7.931 -3.518 1.00 0.44 C ATOM 956 CG LEU A 60 -2.895 -8.400 -4.222 1.00 1.27 C ATOM 957 CD1 LEU A 60 -2.889 -9.912 -4.361 1.00 1.90 C ATOM 958 CD2 LEU A 60 -2.762 -7.744 -5.587 1.00 1.85 C ATOM 0 H LEU A 60 -2.843 -6.553 -1.622 1.00 0.36 H new ATOM 0 HA LEU A 60 -4.334 -5.874 -4.097 1.00 0.34 H new ATOM 0 HB2 LEU A 60 -4.285 -8.503 -2.598 1.00 0.44 H new ATOM 0 HB3 LEU A 60 -5.022 -8.171 -4.153 1.00 0.44 H new ATOM 0 HG LEU A 60 -2.041 -8.103 -3.613 1.00 1.27 H new ATOM 0 HD11 LEU A 60 -1.975 -10.227 -4.864 1.00 1.90 H new ATOM 0 HD12 LEU A 60 -2.935 -10.368 -3.372 1.00 1.90 H new ATOM 0 HD13 LEU A 60 -3.753 -10.227 -4.947 1.00 1.90 H new ATOM 0 HD21 LEU A 60 -1.849 -8.092 -6.070 1.00 1.85 H new ATOM 0 HD22 LEU A 60 -3.622 -8.008 -6.203 1.00 1.85 H new ATOM 0 HD23 LEU A 60 -2.720 -6.661 -5.468 1.00 1.85 H new ATOM 970 N PHE A 61 -6.328 -5.369 -2.669 1.00 0.29 N ATOM 971 CA PHE A 61 -7.453 -5.093 -1.807 1.00 0.28 C ATOM 972 C PHE A 61 -8.601 -5.980 -2.242 1.00 0.37 C ATOM 973 O PHE A 61 -9.040 -5.902 -3.380 1.00 0.48 O ATOM 974 CB PHE A 61 -7.914 -3.624 -1.873 1.00 0.32 C ATOM 975 CG PHE A 61 -6.977 -2.582 -1.324 1.00 0.30 C ATOM 976 CD1 PHE A 61 -5.626 -2.854 -1.280 1.00 0.59 C ATOM 977 CD2 PHE A 61 -7.425 -1.388 -0.787 1.00 0.54 C ATOM 978 CE1 PHE A 61 -4.741 -1.970 -0.718 1.00 0.63 C ATOM 979 CE2 PHE A 61 -6.544 -0.488 -0.241 1.00 0.57 C ATOM 980 CZ PHE A 61 -5.312 -0.553 -0.426 1.00 0.37 C ATOM 0 H PHE A 61 -6.340 -4.897 -3.573 1.00 0.29 H new ATOM 0 HA PHE A 61 -7.145 -5.289 -0.780 1.00 0.28 H new ATOM 0 HB2 PHE A 61 -8.116 -3.380 -2.916 1.00 0.32 H new ATOM 0 HB3 PHE A 61 -8.860 -3.543 -1.338 1.00 0.32 H new ATOM 0 HD1 PHE A 61 -5.258 -3.780 -1.696 1.00 0.59 H new ATOM 0 HD2 PHE A 61 -8.481 -1.161 -0.798 1.00 0.54 H new ATOM 0 HE1 PHE A 61 -3.719 -2.239 -0.494 1.00 0.63 H new ATOM 0 HE2 PHE A 61 -6.934 0.310 0.374 1.00 0.57 H new ATOM 0 HZ PHE A 61 -4.680 0.322 -0.386 1.00 0.37 H new ATOM 990 N ARG A 62 -9.070 -6.832 -1.350 1.00 0.47 N ATOM 991 CA ARG A 62 -10.095 -7.803 -1.692 1.00 0.66 C ATOM 992 C ARG A 62 -10.919 -8.161 -0.463 1.00 0.89 C ATOM 993 O ARG A 62 -10.497 -7.925 0.666 1.00 1.05 O ATOM 994 CB ARG A 62 -9.446 -9.065 -2.269 1.00 0.84 C ATOM 995 CG ARG A 62 -8.599 -9.841 -1.273 1.00 1.49 C ATOM 996 CD ARG A 62 -7.891 -11.011 -1.940 1.00 1.88 C ATOM 997 NE ARG A 62 -8.814 -11.848 -2.708 1.00 2.29 N ATOM 998 CZ ARG A 62 -8.712 -13.173 -2.814 1.00 2.86 C ATOM 999 NH1 ARG A 62 -7.743 -13.827 -2.183 1.00 3.11 N ATOM 1000 NH2 ARG A 62 -9.582 -13.845 -3.559 1.00 3.63 N ATOM 0 H ARG A 62 -8.757 -6.872 -0.380 1.00 0.47 H new ATOM 0 HA ARG A 62 -10.755 -7.364 -2.440 1.00 0.66 H new ATOM 0 HB2 ARG A 62 -10.229 -9.720 -2.651 1.00 0.84 H new ATOM 0 HB3 ARG A 62 -8.823 -8.784 -3.118 1.00 0.84 H new ATOM 0 HG2 ARG A 62 -7.862 -9.176 -0.824 1.00 1.49 H new ATOM 0 HG3 ARG A 62 -9.231 -10.209 -0.465 1.00 1.49 H new ATOM 0 HD2 ARG A 62 -7.110 -10.633 -2.600 1.00 1.88 H new ATOM 0 HD3 ARG A 62 -7.399 -11.618 -1.180 1.00 1.88 H new ATOM 0 HE ARG A 62 -9.584 -11.388 -3.193 1.00 2.29 H new ATOM 0 HH11 ARG A 62 -7.070 -13.315 -1.612 1.00 3.11 H new ATOM 0 HH12 ARG A 62 -7.672 -14.841 -2.269 1.00 3.11 H new ATOM 0 HH21 ARG A 62 -10.326 -13.347 -4.048 1.00 3.63 H new ATOM 0 HH22 ARG A 62 -9.506 -14.859 -3.642 1.00 3.63 H new ATOM 1014 N GLN A 63 -12.092 -8.725 -0.685 1.00 1.13 N ATOM 1015 CA GLN A 63 -12.941 -9.179 0.405 1.00 1.48 C ATOM 1016 C GLN A 63 -13.483 -10.566 0.095 1.00 2.09 C ATOM 1017 O GLN A 63 -13.088 -11.180 -0.898 1.00 2.68 O ATOM 1018 CB GLN A 63 -14.105 -8.206 0.639 1.00 1.69 C ATOM 1019 CG GLN A 63 -13.686 -6.818 1.112 1.00 2.15 C ATOM 1020 CD GLN A 63 -13.432 -6.731 2.610 1.00 2.52 C ATOM 1021 OE1 GLN A 63 -12.982 -7.817 3.218 1.00 3.00 O flip ATOM 1022 NE2 GLN A 63 -13.635 -5.683 3.218 1.00 3.03 N flip ATOM 0 H GLN A 63 -12.481 -8.881 -1.615 1.00 1.13 H new ATOM 0 HA GLN A 63 -12.339 -9.218 1.313 1.00 1.48 H new ATOM 0 HB2 GLN A 63 -14.669 -8.105 -0.288 1.00 1.69 H new ATOM 0 HB3 GLN A 63 -14.780 -8.639 1.377 1.00 1.69 H new ATOM 0 HG2 GLN A 63 -12.781 -6.521 0.582 1.00 2.15 H new ATOM 0 HG3 GLN A 63 -14.463 -6.102 0.842 1.00 2.15 H new ATOM 0 HE21 GLN A 63 -13.982 -4.863 2.720 1.00 3.03 H new ATOM 0 HE22 GLN A 63 -13.456 -5.632 4.221 1.00 3.03 H new ATOM 1031 N GLY A 64 -14.372 -11.057 0.942 1.00 2.55 N ATOM 1032 CA GLY A 64 -15.006 -12.329 0.686 1.00 3.28 C ATOM 1033 C GLY A 64 -16.130 -12.193 -0.310 1.00 3.41 C ATOM 1034 O GLY A 64 -15.883 -12.039 -1.503 1.00 3.88 O ATOM 0 H GLY A 64 -14.666 -10.596 1.803 1.00 2.55 H new ATOM 0 HA2 GLY A 64 -14.267 -13.036 0.309 1.00 3.28 H new ATOM 0 HA3 GLY A 64 -15.392 -12.739 1.619 1.00 3.28 H new ATOM 1038 N ILE A 65 -17.358 -12.249 0.210 1.00 3.49 N ATOM 1039 CA ILE A 65 -18.591 -12.000 -0.546 1.00 3.94 C ATOM 1040 C ILE A 65 -18.495 -12.414 -2.036 1.00 4.01 C ATOM 1041 O ILE A 65 -18.514 -13.607 -2.345 1.00 4.32 O ATOM 1042 CB ILE A 65 -19.072 -10.537 -0.338 1.00 4.22 C ATOM 1043 CG1 ILE A 65 -20.310 -10.200 -1.180 1.00 4.91 C ATOM 1044 CG2 ILE A 65 -17.942 -9.570 -0.587 1.00 3.92 C ATOM 1045 CD1 ILE A 65 -21.546 -10.981 -0.788 1.00 5.57 C ATOM 0 H ILE A 65 -17.528 -12.474 1.190 1.00 3.49 H new ATOM 0 HA ILE A 65 -19.361 -12.656 -0.140 1.00 3.94 H new ATOM 0 HB ILE A 65 -19.382 -10.438 0.702 1.00 4.22 H new ATOM 0 HG12 ILE A 65 -20.521 -9.134 -1.089 1.00 4.91 H new ATOM 0 HG13 ILE A 65 -20.088 -10.392 -2.230 1.00 4.91 H new ATOM 0 HG21 ILE A 65 -18.296 -8.550 -0.437 1.00 3.92 H new ATOM 0 HG22 ILE A 65 -17.127 -9.777 0.106 1.00 3.92 H new ATOM 0 HG23 ILE A 65 -17.585 -9.683 -1.611 1.00 3.92 H new ATOM 0 HD11 ILE A 65 -22.379 -10.688 -1.427 1.00 5.57 H new ATOM 0 HD12 ILE A 65 -21.355 -12.048 -0.906 1.00 5.57 H new ATOM 0 HD13 ILE A 65 -21.795 -10.770 0.252 1.00 5.57 H new ATOM 1057 N ASN A 66 -18.395 -11.451 -2.948 1.00 4.06 N ATOM 1058 CA ASN A 66 -18.276 -11.743 -4.373 1.00 4.27 C ATOM 1059 C ASN A 66 -16.908 -11.310 -4.893 1.00 4.09 C ATOM 1060 O ASN A 66 -15.960 -11.180 -4.123 1.00 4.26 O ATOM 1061 CB ASN A 66 -19.386 -11.034 -5.154 1.00 4.76 C ATOM 1062 CG ASN A 66 -20.778 -11.494 -4.763 1.00 5.45 C ATOM 1063 OD1 ASN A 66 -20.919 -12.768 -4.427 1.00 5.72 O flip ATOM 1064 ND2 ASN A 66 -21.722 -10.707 -4.772 1.00 6.08 N flip ATOM 0 H ASN A 66 -18.394 -10.456 -2.723 1.00 4.06 H new ATOM 0 HA ASN A 66 -18.378 -12.819 -4.516 1.00 4.27 H new ATOM 0 HB2 ASN A 66 -19.306 -9.959 -4.992 1.00 4.76 H new ATOM 0 HB3 ASN A 66 -19.239 -11.207 -6.220 1.00 4.76 H new ATOM 0 HD21 ASN A 66 -21.572 -9.734 -5.037 1.00 6.08 H new ATOM 0 HD22 ASN A 66 -22.656 -11.027 -4.515 1.00 6.08 H new ATOM 1071 N MET A 67 -16.807 -11.078 -6.196 1.00 4.09 N ATOM 1072 CA MET A 67 -15.589 -10.519 -6.777 1.00 4.13 C ATOM 1073 C MET A 67 -15.555 -9.009 -6.560 1.00 3.60 C ATOM 1074 O MET A 67 -14.645 -8.317 -7.014 1.00 3.77 O ATOM 1075 CB MET A 67 -15.494 -10.843 -8.269 1.00 4.54 C ATOM 1076 CG MET A 67 -15.278 -12.319 -8.559 1.00 5.19 C ATOM 1077 SD MET A 67 -13.728 -12.940 -7.877 1.00 6.00 S ATOM 1078 CE MET A 67 -13.825 -14.669 -8.334 1.00 6.30 C ATOM 0 H MET A 67 -17.549 -11.267 -6.869 1.00 4.09 H new ATOM 0 HA MET A 67 -14.731 -10.971 -6.279 1.00 4.13 H new ATOM 0 HB2 MET A 67 -16.409 -10.515 -8.762 1.00 4.54 H new ATOM 0 HB3 MET A 67 -14.674 -10.272 -8.705 1.00 4.54 H new ATOM 0 HG2 MET A 67 -16.108 -12.892 -8.146 1.00 5.19 H new ATOM 0 HG3 MET A 67 -15.286 -12.479 -9.637 1.00 5.19 H new ATOM 0 HE1 MET A 67 -12.935 -15.189 -7.981 1.00 6.30 H new ATOM 0 HE2 MET A 67 -14.710 -15.116 -7.881 1.00 6.30 H new ATOM 0 HE3 MET A 67 -13.889 -14.756 -9.419 1.00 6.30 H new ATOM 1088 N LYS A 68 -16.575 -8.513 -5.872 1.00 3.30 N ATOM 1089 CA LYS A 68 -16.677 -7.103 -5.533 1.00 3.12 C ATOM 1090 C LYS A 68 -15.631 -6.740 -4.481 1.00 2.78 C ATOM 1091 O LYS A 68 -15.025 -7.629 -3.881 1.00 3.25 O ATOM 1092 CB LYS A 68 -18.079 -6.802 -4.994 1.00 3.71 C ATOM 1093 CG LYS A 68 -19.210 -7.262 -5.909 1.00 4.30 C ATOM 1094 CD LYS A 68 -19.196 -6.537 -7.245 1.00 4.85 C ATOM 1095 CE LYS A 68 -20.392 -6.918 -8.102 1.00 5.37 C ATOM 1096 NZ LYS A 68 -20.426 -6.157 -9.379 1.00 5.81 N ATOM 0 H LYS A 68 -17.354 -9.078 -5.534 1.00 3.30 H new ATOM 0 HA LYS A 68 -16.499 -6.508 -6.429 1.00 3.12 H new ATOM 0 HB2 LYS A 68 -18.194 -7.282 -4.022 1.00 3.71 H new ATOM 0 HB3 LYS A 68 -18.171 -5.728 -4.832 1.00 3.71 H new ATOM 0 HG2 LYS A 68 -19.125 -8.335 -6.079 1.00 4.30 H new ATOM 0 HG3 LYS A 68 -20.167 -7.093 -5.415 1.00 4.30 H new ATOM 0 HD2 LYS A 68 -19.198 -5.460 -7.075 1.00 4.85 H new ATOM 0 HD3 LYS A 68 -18.275 -6.774 -7.778 1.00 4.85 H new ATOM 0 HE2 LYS A 68 -20.359 -7.986 -8.317 1.00 5.37 H new ATOM 0 HE3 LYS A 68 -21.311 -6.733 -7.545 1.00 5.37 H new ATOM 0 HZ1 LYS A 68 -21.257 -6.447 -9.934 1.00 5.81 H new ATOM 0 HZ2 LYS A 68 -20.484 -5.139 -9.175 1.00 5.81 H new ATOM 0 HZ3 LYS A 68 -19.561 -6.353 -9.923 1.00 5.81 H new ATOM 1110 N PHE A 69 -15.437 -5.438 -4.254 1.00 2.52 N ATOM 1111 CA PHE A 69 -14.467 -4.952 -3.268 1.00 2.44 C ATOM 1112 C PHE A 69 -13.050 -5.415 -3.625 1.00 2.04 C ATOM 1113 O PHE A 69 -12.505 -6.314 -2.984 1.00 2.83 O ATOM 1114 CB PHE A 69 -14.831 -5.440 -1.859 1.00 3.01 C ATOM 1115 CG PHE A 69 -16.142 -4.922 -1.343 1.00 3.88 C ATOM 1116 CD1 PHE A 69 -16.207 -3.706 -0.682 1.00 4.80 C ATOM 1117 CD2 PHE A 69 -17.309 -5.643 -1.528 1.00 4.14 C ATOM 1118 CE1 PHE A 69 -17.411 -3.221 -0.214 1.00 5.84 C ATOM 1119 CE2 PHE A 69 -18.516 -5.165 -1.061 1.00 5.20 C ATOM 1120 CZ PHE A 69 -18.566 -3.980 -0.373 1.00 6.01 C ATOM 0 H PHE A 69 -15.941 -4.698 -4.742 1.00 2.52 H new ATOM 0 HA PHE A 69 -14.496 -3.862 -3.282 1.00 2.44 H new ATOM 0 HB2 PHE A 69 -14.860 -6.530 -1.861 1.00 3.01 H new ATOM 0 HB3 PHE A 69 -14.040 -5.144 -1.170 1.00 3.01 H new ATOM 0 HD1 PHE A 69 -15.305 -3.131 -0.531 1.00 4.80 H new ATOM 0 HD2 PHE A 69 -17.274 -6.591 -2.044 1.00 4.14 H new ATOM 0 HE1 PHE A 69 -17.456 -2.258 0.273 1.00 5.84 H new ATOM 0 HE2 PHE A 69 -19.423 -5.725 -1.238 1.00 5.20 H new ATOM 0 HZ PHE A 69 -19.501 -3.636 0.045 1.00 6.01 H new ATOM 1130 N PHE A 70 -12.453 -4.806 -4.642 1.00 1.22 N ATOM 1131 CA PHE A 70 -11.173 -5.257 -5.146 1.00 0.92 C ATOM 1132 C PHE A 70 -10.340 -4.116 -5.730 1.00 0.79 C ATOM 1133 O PHE A 70 -10.875 -3.114 -6.206 1.00 1.19 O ATOM 1134 CB PHE A 70 -11.396 -6.306 -6.218 1.00 1.37 C ATOM 1135 CG PHE A 70 -10.160 -7.068 -6.502 1.00 1.92 C ATOM 1136 CD1 PHE A 70 -9.616 -7.830 -5.508 1.00 2.15 C ATOM 1137 CD2 PHE A 70 -9.535 -7.006 -7.726 1.00 2.74 C ATOM 1138 CE1 PHE A 70 -8.468 -8.530 -5.708 1.00 2.96 C ATOM 1139 CE2 PHE A 70 -8.376 -7.708 -7.950 1.00 3.59 C ATOM 1140 CZ PHE A 70 -7.833 -8.478 -6.936 1.00 3.63 C ATOM 0 H PHE A 70 -12.839 -3.998 -5.131 1.00 1.22 H new ATOM 0 HA PHE A 70 -10.620 -5.673 -4.304 1.00 0.92 H new ATOM 0 HB2 PHE A 70 -12.181 -6.991 -5.899 1.00 1.37 H new ATOM 0 HB3 PHE A 70 -11.745 -5.825 -7.132 1.00 1.37 H new ATOM 0 HD1 PHE A 70 -10.106 -7.877 -4.547 1.00 2.15 H new ATOM 0 HD2 PHE A 70 -9.958 -6.402 -8.515 1.00 2.74 H new ATOM 0 HE1 PHE A 70 -8.052 -9.126 -4.909 1.00 2.96 H new ATOM 0 HE2 PHE A 70 -7.890 -7.659 -8.913 1.00 3.59 H new ATOM 0 HZ PHE A 70 -6.922 -9.033 -7.102 1.00 3.63 H new ATOM 1150 N THR A 71 -9.028 -4.299 -5.668 1.00 0.58 N ATOM 1151 CA THR A 71 -8.063 -3.471 -6.389 1.00 0.49 C ATOM 1152 C THR A 71 -6.665 -4.023 -6.200 1.00 0.40 C ATOM 1153 O THR A 71 -6.423 -4.846 -5.316 1.00 0.49 O ATOM 1154 CB THR A 71 -8.104 -1.967 -6.016 1.00 0.56 C ATOM 1155 OG1 THR A 71 -7.666 -1.195 -7.137 1.00 0.81 O ATOM 1156 CG2 THR A 71 -7.215 -1.628 -4.832 1.00 0.48 C ATOM 0 H THR A 71 -8.596 -5.035 -5.109 1.00 0.58 H new ATOM 0 HA THR A 71 -8.352 -3.519 -7.439 1.00 0.49 H new ATOM 0 HB THR A 71 -9.133 -1.735 -5.741 1.00 0.56 H new ATOM 0 HG1 THR A 71 -8.441 -0.935 -7.678 1.00 0.81 H new ATOM 0 HG21 THR A 71 -7.285 -0.562 -4.618 1.00 0.48 H new ATOM 0 HG22 THR A 71 -7.539 -2.195 -3.960 1.00 0.48 H new ATOM 0 HG23 THR A 71 -6.182 -1.883 -5.068 1.00 0.48 H new ATOM 1164 N GLU A 72 -5.755 -3.575 -7.040 1.00 0.49 N ATOM 1165 CA GLU A 72 -4.428 -4.141 -7.091 1.00 0.45 C ATOM 1166 C GLU A 72 -3.384 -3.037 -7.124 1.00 0.47 C ATOM 1167 O GLU A 72 -3.100 -2.468 -8.179 1.00 0.57 O ATOM 1168 CB GLU A 72 -4.320 -5.008 -8.333 1.00 0.63 C ATOM 1169 CG GLU A 72 -3.022 -5.792 -8.430 1.00 1.19 C ATOM 1170 CD GLU A 72 -2.864 -6.486 -9.764 1.00 1.50 C ATOM 1171 OE1 GLU A 72 -2.409 -5.832 -10.726 1.00 1.83 O ATOM 1172 OE2 GLU A 72 -3.198 -7.684 -9.863 1.00 1.80 O ATOM 0 H GLU A 72 -5.915 -2.814 -7.701 1.00 0.49 H new ATOM 0 HA GLU A 72 -4.250 -4.746 -6.202 1.00 0.45 H new ATOM 0 HB2 GLU A 72 -5.156 -5.707 -8.349 1.00 0.63 H new ATOM 0 HB3 GLU A 72 -4.416 -4.375 -9.215 1.00 0.63 H new ATOM 0 HG2 GLU A 72 -2.181 -5.117 -8.273 1.00 1.19 H new ATOM 0 HG3 GLU A 72 -2.989 -6.534 -7.632 1.00 1.19 H new ATOM 1179 N VAL A 73 -2.805 -2.748 -5.972 1.00 0.44 N ATOM 1180 CA VAL A 73 -1.886 -1.632 -5.836 1.00 0.52 C ATOM 1181 C VAL A 73 -0.446 -2.141 -5.736 1.00 0.64 C ATOM 1182 O VAL A 73 -0.210 -3.257 -5.278 1.00 0.76 O ATOM 1183 CB VAL A 73 -2.208 -0.784 -4.587 1.00 0.52 C ATOM 1184 CG1 VAL A 73 -1.924 0.681 -4.857 1.00 0.66 C ATOM 1185 CG2 VAL A 73 -3.644 -0.982 -4.130 1.00 0.53 C ATOM 0 H VAL A 73 -2.957 -3.275 -5.112 1.00 0.44 H new ATOM 0 HA VAL A 73 -1.999 -1.006 -6.721 1.00 0.52 H new ATOM 0 HB VAL A 73 -1.561 -1.122 -3.778 1.00 0.52 H new ATOM 0 HG11 VAL A 73 -2.156 1.267 -3.967 1.00 0.66 H new ATOM 0 HG12 VAL A 73 -0.871 0.807 -5.110 1.00 0.66 H new ATOM 0 HG13 VAL A 73 -2.541 1.024 -5.688 1.00 0.66 H new ATOM 0 HG21 VAL A 73 -3.833 -0.369 -3.249 1.00 0.53 H new ATOM 0 HG22 VAL A 73 -4.324 -0.688 -4.929 1.00 0.53 H new ATOM 0 HG23 VAL A 73 -3.806 -2.031 -3.884 1.00 0.53 H new ATOM 1195 N GLU A 74 0.511 -1.338 -6.178 1.00 0.80 N ATOM 1196 CA GLU A 74 1.915 -1.701 -6.079 1.00 0.96 C ATOM 1197 C GLU A 74 2.515 -1.174 -4.786 1.00 0.98 C ATOM 1198 O GLU A 74 1.873 -0.424 -4.052 1.00 1.16 O ATOM 1199 CB GLU A 74 2.690 -1.131 -7.257 1.00 1.24 C ATOM 1200 CG GLU A 74 2.314 -1.736 -8.593 1.00 1.49 C ATOM 1201 CD GLU A 74 3.107 -1.141 -9.733 1.00 1.71 C ATOM 1202 OE1 GLU A 74 4.067 -1.794 -10.197 1.00 2.25 O ATOM 1203 OE2 GLU A 74 2.786 -0.014 -10.171 1.00 2.02 O ATOM 0 H GLU A 74 0.339 -0.430 -6.609 1.00 0.80 H new ATOM 0 HA GLU A 74 1.984 -2.789 -6.088 1.00 0.96 H new ATOM 0 HB2 GLU A 74 2.527 -0.054 -7.299 1.00 1.24 H new ATOM 0 HB3 GLU A 74 3.755 -1.286 -7.087 1.00 1.24 H new ATOM 0 HG2 GLU A 74 2.479 -2.813 -8.561 1.00 1.49 H new ATOM 0 HG3 GLU A 74 1.250 -1.582 -8.773 1.00 1.49 H new ATOM 1210 N ALA A 75 3.752 -1.567 -4.519 1.00 1.06 N ATOM 1211 CA ALA A 75 4.454 -1.117 -3.331 1.00 1.12 C ATOM 1212 C ALA A 75 5.955 -0.991 -3.582 1.00 1.43 C ATOM 1213 O ALA A 75 6.495 0.111 -3.513 1.00 1.80 O ATOM 1214 CB ALA A 75 4.180 -2.050 -2.163 1.00 1.02 C ATOM 0 H ALA A 75 4.290 -2.199 -5.113 1.00 1.06 H new ATOM 0 HA ALA A 75 4.078 -0.126 -3.078 1.00 1.12 H new ATOM 0 HB1 ALA A 75 4.715 -1.696 -1.282 1.00 1.02 H new ATOM 0 HB2 ALA A 75 3.110 -2.068 -1.955 1.00 1.02 H new ATOM 0 HB3 ALA A 75 4.518 -3.055 -2.413 1.00 1.02 H new ATOM 1220 N TYR A 76 6.635 -2.098 -3.908 1.00 1.71 N ATOM 1221 CA TYR A 76 8.109 -2.078 -3.871 1.00 2.10 C ATOM 1222 C TYR A 76 8.810 -3.206 -4.652 1.00 2.93 C ATOM 1223 O TYR A 76 8.161 -4.085 -5.206 1.00 3.37 O ATOM 1224 CB TYR A 76 8.558 -2.117 -2.422 1.00 2.06 C ATOM 1225 CG TYR A 76 9.151 -0.815 -1.963 1.00 2.42 C ATOM 1226 CD1 TYR A 76 10.439 -0.465 -2.322 1.00 3.02 C ATOM 1227 CD2 TYR A 76 8.429 0.065 -1.174 1.00 2.63 C ATOM 1228 CE1 TYR A 76 10.996 0.716 -1.909 1.00 3.55 C ATOM 1229 CE2 TYR A 76 8.975 1.250 -0.762 1.00 3.23 C ATOM 1230 CZ TYR A 76 10.259 1.571 -1.128 1.00 3.62 C ATOM 1231 OH TYR A 76 10.812 2.741 -0.700 1.00 4.28 O ATOM 0 H TYR A 76 6.215 -2.984 -4.189 1.00 1.71 H new ATOM 0 HA TYR A 76 8.406 -1.158 -4.375 1.00 2.10 H new ATOM 0 HB2 TYR A 76 7.707 -2.367 -1.789 1.00 2.06 H new ATOM 0 HB3 TYR A 76 9.294 -2.911 -2.295 1.00 2.06 H new ATOM 0 HD1 TYR A 76 11.017 -1.136 -2.940 1.00 3.02 H new ATOM 0 HD2 TYR A 76 7.421 -0.188 -0.880 1.00 2.63 H new ATOM 0 HE1 TYR A 76 12.005 0.972 -2.195 1.00 3.55 H new ATOM 0 HE2 TYR A 76 8.399 1.930 -0.152 1.00 3.23 H new ATOM 0 HH TYR A 76 11.783 2.635 -0.623 1.00 4.28 H new ATOM 1241 N ARG A 77 10.163 -3.128 -4.680 1.00 3.45 N ATOM 1242 CA ARG A 77 11.057 -4.114 -5.335 1.00 4.39 C ATOM 1243 C ARG A 77 12.298 -4.331 -4.438 1.00 4.69 C ATOM 1244 O ARG A 77 12.578 -3.486 -3.587 1.00 4.62 O ATOM 1245 CB ARG A 77 11.483 -3.583 -6.712 1.00 5.09 C ATOM 1246 CG ARG A 77 12.288 -4.559 -7.560 1.00 5.52 C ATOM 1247 CD ARG A 77 12.444 -4.069 -8.987 1.00 6.16 C ATOM 1248 NE ARG A 77 13.348 -4.910 -9.762 1.00 6.62 N ATOM 1249 CZ ARG A 77 14.390 -4.443 -10.448 1.00 7.29 C ATOM 1250 NH1 ARG A 77 14.703 -3.151 -10.396 1.00 7.66 N ATOM 1251 NH2 ARG A 77 15.129 -5.273 -11.171 1.00 7.82 N ATOM 0 H ARG A 77 10.673 -2.363 -4.239 1.00 3.45 H new ATOM 0 HA ARG A 77 10.537 -5.062 -5.471 1.00 4.39 H new ATOM 0 HB2 ARG A 77 10.589 -3.296 -7.266 1.00 5.09 H new ATOM 0 HB3 ARG A 77 12.073 -2.678 -6.568 1.00 5.09 H new ATOM 0 HG2 ARG A 77 13.273 -4.701 -7.115 1.00 5.52 H new ATOM 0 HG3 ARG A 77 11.796 -5.531 -7.561 1.00 5.52 H new ATOM 0 HD2 ARG A 77 11.467 -4.046 -9.470 1.00 6.16 H new ATOM 0 HD3 ARG A 77 12.819 -3.046 -8.979 1.00 6.16 H new ATOM 0 HE ARG A 77 13.172 -5.915 -9.780 1.00 6.62 H new ATOM 0 HH11 ARG A 77 14.144 -2.513 -9.829 1.00 7.66 H new ATOM 0 HH12 ARG A 77 15.502 -2.798 -10.923 1.00 7.66 H new ATOM 0 HH21 ARG A 77 14.899 -6.266 -11.201 1.00 7.82 H new ATOM 0 HH22 ARG A 77 15.927 -4.918 -11.697 1.00 7.82 H new ATOM 1265 N PRO A 78 13.046 -5.462 -4.554 1.00 5.32 N ATOM 1266 CA PRO A 78 14.207 -5.715 -3.708 1.00 5.79 C ATOM 1267 C PRO A 78 15.575 -5.690 -4.398 1.00 6.24 C ATOM 1268 O PRO A 78 15.689 -5.703 -5.626 1.00 6.84 O ATOM 1269 CB PRO A 78 13.919 -7.156 -3.338 1.00 6.56 C ATOM 1270 CG PRO A 78 13.518 -7.753 -4.652 1.00 6.72 C ATOM 1271 CD PRO A 78 12.790 -6.649 -5.397 1.00 5.88 C ATOM 0 HA PRO A 78 14.300 -4.960 -2.928 1.00 5.79 H new ATOM 0 HB2 PRO A 78 14.795 -7.650 -2.918 1.00 6.56 H new ATOM 0 HB3 PRO A 78 13.123 -7.234 -2.597 1.00 6.56 H new ATOM 0 HG2 PRO A 78 14.390 -8.093 -5.210 1.00 6.72 H new ATOM 0 HG3 PRO A 78 12.873 -8.620 -4.508 1.00 6.72 H new ATOM 0 HD2 PRO A 78 13.178 -6.519 -6.407 1.00 5.88 H new ATOM 0 HD3 PRO A 78 11.724 -6.858 -5.489 1.00 5.88 H new ATOM 1279 N ASP A 79 16.608 -5.623 -3.569 1.00 6.17 N ATOM 1280 CA ASP A 79 17.876 -6.243 -3.894 1.00 6.76 C ATOM 1281 C ASP A 79 17.811 -7.611 -3.243 1.00 6.75 C ATOM 1282 O ASP A 79 17.442 -7.688 -2.079 1.00 6.33 O ATOM 1283 CB ASP A 79 19.074 -5.433 -3.400 1.00 6.97 C ATOM 1284 CG ASP A 79 20.380 -5.917 -4.009 1.00 7.82 C ATOM 1285 OD1 ASP A 79 21.095 -5.103 -4.628 1.00 8.31 O ATOM 1286 OD2 ASP A 79 20.692 -7.120 -3.894 1.00 8.19 O ATOM 0 H ASP A 79 16.588 -5.145 -2.668 1.00 6.17 H new ATOM 0 HA ASP A 79 18.024 -6.305 -4.972 1.00 6.76 H new ATOM 0 HB2 ASP A 79 18.927 -4.381 -3.647 1.00 6.97 H new ATOM 0 HB3 ASP A 79 19.134 -5.500 -2.314 1.00 6.97 H new ATOM 1291 N LEU A 80 18.189 -8.652 -3.986 1.00 7.42 N ATOM 1292 CA LEU A 80 17.726 -10.043 -3.772 1.00 7.70 C ATOM 1293 C LEU A 80 17.167 -10.329 -2.382 1.00 7.67 C ATOM 1294 O LEU A 80 15.983 -10.633 -2.225 1.00 7.65 O ATOM 1295 CB LEU A 80 18.874 -11.010 -4.087 1.00 8.65 C ATOM 1296 CG LEU A 80 18.477 -12.402 -4.612 1.00 9.25 C ATOM 1297 CD1 LEU A 80 17.746 -13.214 -3.554 1.00 9.43 C ATOM 1298 CD2 LEU A 80 17.626 -12.278 -5.868 1.00 9.75 C ATOM 0 H LEU A 80 18.836 -8.561 -4.769 1.00 7.42 H new ATOM 0 HA LEU A 80 16.886 -10.189 -4.451 1.00 7.70 H new ATOM 0 HB2 LEU A 80 19.523 -10.540 -4.826 1.00 8.65 H new ATOM 0 HB3 LEU A 80 19.466 -11.143 -3.181 1.00 8.65 H new ATOM 0 HG LEU A 80 19.396 -12.933 -4.861 1.00 9.25 H new ATOM 0 HD11 LEU A 80 17.482 -14.190 -3.962 1.00 9.43 H new ATOM 0 HD12 LEU A 80 18.392 -13.346 -2.686 1.00 9.43 H new ATOM 0 HD13 LEU A 80 16.839 -12.689 -3.255 1.00 9.43 H new ATOM 0 HD21 LEU A 80 17.356 -13.272 -6.224 1.00 9.75 H new ATOM 0 HD22 LEU A 80 16.721 -11.715 -5.640 1.00 9.75 H new ATOM 0 HD23 LEU A 80 18.192 -11.758 -6.641 1.00 9.75 H new ATOM 1310 N LYS A 81 18.008 -10.225 -1.400 1.00 7.90 N ATOM 1311 CA LYS A 81 17.609 -10.467 -0.011 1.00 8.21 C ATOM 1312 C LYS A 81 17.169 -9.185 0.698 1.00 7.50 C ATOM 1313 O LYS A 81 16.123 -9.147 1.340 1.00 7.67 O ATOM 1314 CB LYS A 81 18.742 -11.130 0.770 1.00 9.15 C ATOM 1315 CG LYS A 81 19.030 -12.556 0.333 1.00 9.83 C ATOM 1316 CD LYS A 81 20.189 -13.157 1.113 1.00 10.54 C ATOM 1317 CE LYS A 81 20.388 -14.627 0.777 1.00 11.27 C ATOM 1318 NZ LYS A 81 20.613 -14.843 -0.676 1.00 11.75 N ATOM 0 H LYS A 81 18.989 -9.972 -1.517 1.00 7.90 H new ATOM 0 HA LYS A 81 16.751 -11.139 -0.043 1.00 8.21 H new ATOM 0 HB2 LYS A 81 19.648 -10.534 0.656 1.00 9.15 H new ATOM 0 HB3 LYS A 81 18.491 -11.128 1.831 1.00 9.15 H new ATOM 0 HG2 LYS A 81 18.139 -13.168 0.475 1.00 9.83 H new ATOM 0 HG3 LYS A 81 19.261 -12.571 -0.732 1.00 9.83 H new ATOM 0 HD2 LYS A 81 21.103 -12.606 0.891 1.00 10.54 H new ATOM 0 HD3 LYS A 81 20.004 -13.049 2.182 1.00 10.54 H new ATOM 0 HE2 LYS A 81 21.239 -15.014 1.337 1.00 11.27 H new ATOM 0 HE3 LYS A 81 19.513 -15.193 1.096 1.00 11.27 H new ATOM 0 HZ1 LYS A 81 20.894 -15.831 -0.841 1.00 11.75 H new ATOM 0 HZ2 LYS A 81 19.736 -14.641 -1.197 1.00 11.75 H new ATOM 0 HZ3 LYS A 81 21.367 -14.209 -1.009 1.00 11.75 H new ATOM 1332 N HIS A 82 17.982 -8.149 0.569 1.00 6.91 N ATOM 1333 CA HIS A 82 17.806 -6.904 1.323 1.00 6.47 C ATOM 1334 C HIS A 82 17.158 -5.787 0.486 1.00 5.53 C ATOM 1335 O HIS A 82 17.834 -5.134 -0.299 1.00 5.01 O ATOM 1336 CB HIS A 82 19.177 -6.448 1.834 1.00 6.67 C ATOM 1337 CG HIS A 82 20.322 -6.662 0.877 1.00 7.18 C ATOM 1338 ND1 HIS A 82 20.206 -6.629 -0.508 1.00 7.40 N ATOM 1339 CD2 HIS A 82 21.625 -6.929 1.131 1.00 7.76 C ATOM 1340 CE1 HIS A 82 21.389 -6.867 -1.043 1.00 8.08 C ATOM 1341 NE2 HIS A 82 22.262 -7.052 -0.074 1.00 8.33 N ATOM 0 H HIS A 82 18.785 -8.141 -0.060 1.00 6.91 H new ATOM 0 HA HIS A 82 17.127 -7.103 2.152 1.00 6.47 H new ATOM 0 HB2 HIS A 82 19.122 -5.387 2.078 1.00 6.67 H new ATOM 0 HB3 HIS A 82 19.396 -6.977 2.761 1.00 6.67 H new ATOM 0 HD2 HIS A 82 22.079 -7.027 2.106 1.00 7.76 H new ATOM 0 HE1 HIS A 82 21.605 -6.904 -2.100 1.00 8.08 H new ATOM 0 HE2 HIS A 82 23.254 -7.254 -0.201 1.00 8.33 H new ATOM 1350 N PRO A 83 15.831 -5.588 0.601 1.00 5.57 N ATOM 1351 CA PRO A 83 15.089 -4.592 -0.180 1.00 4.95 C ATOM 1352 C PRO A 83 14.669 -3.254 0.501 1.00 4.13 C ATOM 1353 O PRO A 83 14.646 -3.128 1.720 1.00 4.33 O ATOM 1354 CB PRO A 83 13.859 -5.417 -0.514 1.00 5.64 C ATOM 1355 CG PRO A 83 13.577 -6.174 0.751 1.00 6.46 C ATOM 1356 CD PRO A 83 14.907 -6.344 1.459 1.00 6.50 C ATOM 0 HA PRO A 83 15.707 -4.200 -0.987 1.00 4.95 H new ATOM 0 HB2 PRO A 83 13.018 -4.784 -0.796 1.00 5.64 H new ATOM 0 HB3 PRO A 83 14.045 -6.091 -1.350 1.00 5.64 H new ATOM 0 HG2 PRO A 83 12.871 -5.631 1.379 1.00 6.46 H new ATOM 0 HG3 PRO A 83 13.128 -7.143 0.531 1.00 6.46 H new ATOM 0 HD2 PRO A 83 14.879 -5.946 2.473 1.00 6.50 H new ATOM 0 HD3 PRO A 83 15.193 -7.393 1.536 1.00 6.50 H new ATOM 1364 N LEU A 84 14.280 -2.288 -0.371 1.00 3.60 N ATOM 1365 CA LEU A 84 13.536 -1.029 -0.038 1.00 3.05 C ATOM 1366 C LEU A 84 14.316 0.023 0.753 1.00 2.76 C ATOM 1367 O LEU A 84 14.772 -0.238 1.855 1.00 3.30 O ATOM 1368 CB LEU A 84 12.230 -1.287 0.726 1.00 3.01 C ATOM 1369 CG LEU A 84 11.694 -2.725 0.773 1.00 4.01 C ATOM 1370 CD1 LEU A 84 10.533 -2.820 1.749 1.00 4.57 C ATOM 1371 CD2 LEU A 84 11.253 -3.184 -0.603 1.00 4.67 C ATOM 0 H LEU A 84 14.481 -2.361 -1.368 1.00 3.60 H new ATOM 0 HA LEU A 84 13.342 -0.628 -1.033 1.00 3.05 H new ATOM 0 HB2 LEU A 84 12.372 -0.950 1.753 1.00 3.01 H new ATOM 0 HB3 LEU A 84 11.457 -0.657 0.287 1.00 3.01 H new ATOM 0 HG LEU A 84 12.499 -3.377 1.111 1.00 4.01 H new ATOM 0 HD11 LEU A 84 10.161 -3.844 1.774 1.00 4.57 H new ATOM 0 HD12 LEU A 84 10.870 -2.532 2.745 1.00 4.57 H new ATOM 0 HD13 LEU A 84 9.733 -2.152 1.430 1.00 4.57 H new ATOM 0 HD21 LEU A 84 10.877 -4.205 -0.543 1.00 4.67 H new ATOM 0 HD22 LEU A 84 10.463 -2.528 -0.970 1.00 4.67 H new ATOM 0 HD23 LEU A 84 12.101 -3.149 -1.287 1.00 4.67 H new ATOM 1383 N CYS A 85 14.388 1.251 0.207 1.00 2.66 N ATOM 1384 CA CYS A 85 14.961 2.382 0.944 1.00 3.24 C ATOM 1385 C CYS A 85 14.335 3.725 0.517 1.00 3.77 C ATOM 1386 O CYS A 85 13.289 3.719 -0.115 1.00 4.31 O ATOM 1387 CB CYS A 85 16.471 2.397 0.788 1.00 3.79 C ATOM 1388 SG CYS A 85 17.110 3.193 -0.709 1.00 4.64 S ATOM 0 H CYS A 85 14.060 1.480 -0.731 1.00 2.66 H new ATOM 0 HA CYS A 85 14.724 2.251 2.000 1.00 3.24 H new ATOM 0 HB2 CYS A 85 16.900 2.900 1.654 1.00 3.79 H new ATOM 0 HB3 CYS A 85 16.828 1.367 0.808 1.00 3.79 H new ATOM 1393 N GLY A 86 15.106 4.812 0.697 1.00 4.00 N ATOM 1394 CA GLY A 86 14.659 6.214 0.934 1.00 4.75 C ATOM 1395 C GLY A 86 13.273 6.712 0.479 1.00 4.42 C ATOM 1396 O GLY A 86 13.129 7.905 0.211 1.00 5.13 O ATOM 0 H GLY A 86 16.123 4.740 0.682 1.00 4.00 H new ATOM 0 HA2 GLY A 86 14.719 6.387 2.009 1.00 4.75 H new ATOM 0 HA3 GLY A 86 15.397 6.864 0.465 1.00 4.75 H new ATOM 1400 N LYS A 87 12.269 5.865 0.377 1.00 3.51 N ATOM 1401 CA LYS A 87 10.944 6.309 -0.036 1.00 3.25 C ATOM 1402 C LYS A 87 9.911 6.151 1.076 1.00 2.57 C ATOM 1403 O LYS A 87 10.205 5.616 2.149 1.00 2.57 O ATOM 1404 CB LYS A 87 10.519 5.520 -1.259 1.00 3.54 C ATOM 1405 CG LYS A 87 11.483 5.707 -2.419 1.00 4.49 C ATOM 1406 CD LYS A 87 11.305 4.663 -3.501 1.00 5.19 C ATOM 1407 CE LYS A 87 12.254 4.915 -4.661 1.00 6.18 C ATOM 1408 NZ LYS A 87 11.937 6.182 -5.374 1.00 6.95 N ATOM 0 H LYS A 87 12.340 4.867 0.573 1.00 3.51 H new ATOM 0 HA LYS A 87 10.999 7.372 -0.271 1.00 3.25 H new ATOM 0 HB2 LYS A 87 10.458 4.462 -1.005 1.00 3.54 H new ATOM 0 HB3 LYS A 87 9.520 5.833 -1.563 1.00 3.54 H new ATOM 0 HG2 LYS A 87 11.339 6.698 -2.849 1.00 4.49 H new ATOM 0 HG3 LYS A 87 12.506 5.667 -2.046 1.00 4.49 H new ATOM 0 HD2 LYS A 87 11.486 3.671 -3.087 1.00 5.19 H new ATOM 0 HD3 LYS A 87 10.276 4.677 -3.859 1.00 5.19 H new ATOM 0 HE2 LYS A 87 13.278 4.954 -4.290 1.00 6.18 H new ATOM 0 HE3 LYS A 87 12.200 4.081 -5.361 1.00 6.18 H new ATOM 0 HZ1 LYS A 87 12.466 6.218 -6.269 1.00 6.95 H new ATOM 0 HZ2 LYS A 87 10.917 6.223 -5.572 1.00 6.95 H new ATOM 0 HZ3 LYS A 87 12.207 6.992 -4.780 1.00 6.95 H new ATOM 1422 N ARG A 88 8.705 6.633 0.807 1.00 2.48 N ATOM 1423 CA ARG A 88 7.603 6.561 1.753 1.00 2.17 C ATOM 1424 C ARG A 88 6.300 6.324 0.993 1.00 1.70 C ATOM 1425 O ARG A 88 5.862 7.178 0.221 1.00 2.18 O ATOM 1426 CB ARG A 88 7.526 7.859 2.560 1.00 3.14 C ATOM 1427 CG ARG A 88 6.465 7.854 3.645 1.00 3.80 C ATOM 1428 CD ARG A 88 6.475 9.153 4.434 1.00 4.78 C ATOM 1429 NE ARG A 88 5.478 9.153 5.503 1.00 5.43 N ATOM 1430 CZ ARG A 88 5.489 9.997 6.532 1.00 6.34 C ATOM 1431 NH1 ARG A 88 6.447 10.910 6.636 1.00 6.69 N ATOM 1432 NH2 ARG A 88 4.541 9.931 7.457 1.00 7.15 N ATOM 0 H ARG A 88 8.464 7.085 -0.075 1.00 2.48 H new ATOM 0 HA ARG A 88 7.765 5.734 2.444 1.00 2.17 H new ATOM 0 HB2 ARG A 88 8.497 8.047 3.018 1.00 3.14 H new ATOM 0 HB3 ARG A 88 7.329 8.686 1.878 1.00 3.14 H new ATOM 0 HG2 ARG A 88 5.483 7.707 3.195 1.00 3.80 H new ATOM 0 HG3 ARG A 88 6.636 7.015 4.320 1.00 3.80 H new ATOM 0 HD2 ARG A 88 7.465 9.309 4.862 1.00 4.78 H new ATOM 0 HD3 ARG A 88 6.284 9.988 3.760 1.00 4.78 H new ATOM 0 HE ARG A 88 4.728 8.464 5.458 1.00 5.43 H new ATOM 0 HH11 ARG A 88 7.177 10.966 5.926 1.00 6.69 H new ATOM 0 HH12 ARG A 88 6.453 11.555 7.426 1.00 6.69 H new ATOM 0 HH21 ARG A 88 3.802 9.232 7.381 1.00 7.15 H new ATOM 0 HH22 ARG A 88 4.551 10.579 8.245 1.00 7.15 H new ATOM 1446 N TYR A 89 5.689 5.167 1.209 1.00 1.34 N ATOM 1447 CA TYR A 89 4.539 4.750 0.414 1.00 1.31 C ATOM 1448 C TYR A 89 3.267 4.619 1.246 1.00 1.05 C ATOM 1449 O TYR A 89 3.227 3.888 2.236 1.00 1.43 O ATOM 1450 CB TYR A 89 4.837 3.422 -0.286 1.00 2.13 C ATOM 1451 CG TYR A 89 5.403 3.578 -1.679 1.00 2.67 C ATOM 1452 CD1 TYR A 89 4.726 3.098 -2.795 1.00 3.40 C ATOM 1453 CD2 TYR A 89 6.626 4.200 -1.873 1.00 2.94 C ATOM 1454 CE1 TYR A 89 5.258 3.235 -4.064 1.00 4.21 C ATOM 1455 CE2 TYR A 89 7.160 4.343 -3.136 1.00 3.68 C ATOM 1456 CZ TYR A 89 6.410 3.868 -4.253 1.00 4.27 C ATOM 1457 OH TYR A 89 7.023 3.994 -5.485 1.00 5.18 O ATOM 0 H TYR A 89 5.969 4.500 1.928 1.00 1.34 H new ATOM 0 HA TYR A 89 4.365 5.531 -0.326 1.00 1.31 H new ATOM 0 HB2 TYR A 89 5.542 2.853 0.320 1.00 2.13 H new ATOM 0 HB3 TYR A 89 3.919 2.837 -0.341 1.00 2.13 H new ATOM 0 HD1 TYR A 89 3.770 2.611 -2.669 1.00 3.40 H new ATOM 0 HD2 TYR A 89 7.170 4.579 -1.021 1.00 2.94 H new ATOM 0 HE1 TYR A 89 4.730 2.822 -4.911 1.00 4.21 H new ATOM 0 HE2 TYR A 89 8.126 4.805 -3.277 1.00 3.68 H new ATOM 0 HH TYR A 89 7.841 4.525 -5.391 1.00 5.18 H new ATOM 1467 N GLU A 90 2.234 5.332 0.822 1.00 0.79 N ATOM 1468 CA GLU A 90 0.914 5.242 1.423 1.00 0.71 C ATOM 1469 C GLU A 90 -0.131 5.031 0.343 1.00 0.53 C ATOM 1470 O GLU A 90 -0.208 5.802 -0.617 1.00 0.63 O ATOM 1471 CB GLU A 90 0.582 6.516 2.209 1.00 1.07 C ATOM 1472 CG GLU A 90 -0.899 6.652 2.547 1.00 1.28 C ATOM 1473 CD GLU A 90 -1.241 7.974 3.208 1.00 1.79 C ATOM 1474 OE1 GLU A 90 -1.659 8.910 2.494 1.00 2.09 O ATOM 1475 OE2 GLU A 90 -1.110 8.079 4.448 1.00 2.07 O ATOM 0 H GLU A 90 2.290 5.993 0.047 1.00 0.79 H new ATOM 0 HA GLU A 90 0.910 4.396 2.110 1.00 0.71 H new ATOM 0 HB2 GLU A 90 1.160 6.525 3.133 1.00 1.07 H new ATOM 0 HB3 GLU A 90 0.896 7.384 1.629 1.00 1.07 H new ATOM 0 HG2 GLU A 90 -1.485 6.547 1.634 1.00 1.28 H new ATOM 0 HG3 GLU A 90 -1.191 5.836 3.208 1.00 1.28 H new ATOM 1482 N LEU A 91 -0.909 3.978 0.484 1.00 0.50 N ATOM 1483 CA LEU A 91 -2.049 3.765 -0.382 1.00 0.43 C ATOM 1484 C LEU A 91 -3.296 3.770 0.467 1.00 0.43 C ATOM 1485 O LEU A 91 -3.329 3.166 1.539 1.00 0.57 O ATOM 1486 CB LEU A 91 -1.951 2.447 -1.162 1.00 0.50 C ATOM 1487 CG LEU A 91 -0.604 1.709 -1.065 1.00 0.93 C ATOM 1488 CD1 LEU A 91 -0.729 0.293 -1.593 1.00 1.82 C ATOM 1489 CD2 LEU A 91 0.475 2.452 -1.846 1.00 1.02 C ATOM 0 H LEU A 91 -0.772 3.256 1.191 1.00 0.50 H new ATOM 0 HA LEU A 91 -2.077 4.566 -1.120 1.00 0.43 H new ATOM 0 HB2 LEU A 91 -2.736 1.779 -0.809 1.00 0.50 H new ATOM 0 HB3 LEU A 91 -2.156 2.652 -2.213 1.00 0.50 H new ATOM 0 HG LEU A 91 -0.319 1.672 -0.014 1.00 0.93 H new ATOM 0 HD11 LEU A 91 0.234 -0.211 -1.515 1.00 1.82 H new ATOM 0 HD12 LEU A 91 -1.471 -0.250 -1.007 1.00 1.82 H new ATOM 0 HD13 LEU A 91 -1.041 0.320 -2.637 1.00 1.82 H new ATOM 0 HD21 LEU A 91 1.419 1.914 -1.764 1.00 1.02 H new ATOM 0 HD22 LEU A 91 0.185 2.518 -2.895 1.00 1.02 H new ATOM 0 HD23 LEU A 91 0.593 3.456 -1.438 1.00 1.02 H new ATOM 1501 N SER A 92 -4.313 4.458 0.013 1.00 0.43 N ATOM 1502 CA SER A 92 -5.514 4.585 0.798 1.00 0.48 C ATOM 1503 C SER A 92 -6.736 4.430 -0.063 1.00 0.43 C ATOM 1504 O SER A 92 -6.848 5.030 -1.130 1.00 0.51 O ATOM 1505 CB SER A 92 -5.539 5.929 1.534 1.00 0.59 C ATOM 1506 OG SER A 92 -5.361 7.020 0.653 1.00 1.23 O ATOM 0 H SER A 92 -4.334 4.935 -0.888 1.00 0.43 H new ATOM 0 HA SER A 92 -5.519 3.787 1.540 1.00 0.48 H new ATOM 0 HB2 SER A 92 -6.489 6.038 2.058 1.00 0.59 H new ATOM 0 HB3 SER A 92 -4.754 5.942 2.290 1.00 0.59 H new ATOM 0 HG SER A 92 -5.385 7.858 1.161 1.00 1.23 H new ATOM 1512 N ALA A 93 -7.641 3.608 0.402 1.00 0.52 N ATOM 1513 CA ALA A 93 -8.885 3.425 -0.272 1.00 0.54 C ATOM 1514 C ALA A 93 -9.817 4.517 0.133 1.00 0.62 C ATOM 1515 O ALA A 93 -10.431 4.473 1.179 1.00 0.83 O ATOM 1516 CB ALA A 93 -9.452 2.081 0.034 1.00 0.66 C ATOM 0 H ALA A 93 -7.531 3.054 1.252 1.00 0.52 H new ATOM 0 HA ALA A 93 -8.734 3.472 -1.350 1.00 0.54 H new ATOM 0 HB1 ALA A 93 -10.401 1.959 -0.488 1.00 0.66 H new ATOM 0 HB2 ALA A 93 -8.755 1.309 -0.293 1.00 0.66 H new ATOM 0 HB3 ALA A 93 -9.615 1.991 1.108 1.00 0.66 H new ATOM 1522 N ARG A 94 -9.884 5.500 -0.699 1.00 0.91 N ATOM 1523 CA ARG A 94 -10.531 6.753 -0.342 1.00 1.26 C ATOM 1524 C ARG A 94 -11.743 7.002 -1.155 1.00 0.70 C ATOM 1525 O ARG A 94 -11.962 6.406 -2.207 1.00 1.17 O ATOM 1526 CB ARG A 94 -9.549 7.923 -0.510 1.00 2.35 C ATOM 1527 CG ARG A 94 -9.841 8.828 -1.695 1.00 3.37 C ATOM 1528 CD ARG A 94 -8.783 9.900 -1.859 1.00 4.38 C ATOM 1529 NE ARG A 94 -8.545 10.646 -0.622 1.00 5.11 N ATOM 1530 CZ ARG A 94 -8.770 11.952 -0.483 1.00 6.01 C ATOM 1531 NH1 ARG A 94 -9.373 12.636 -1.450 1.00 6.36 N ATOM 1532 NH2 ARG A 94 -8.420 12.569 0.639 1.00 6.80 N ATOM 0 H ARG A 94 -9.500 5.476 -1.644 1.00 0.91 H new ATOM 0 HA ARG A 94 -10.837 6.674 0.701 1.00 1.26 H new ATOM 0 HB2 ARG A 94 -9.560 8.523 0.400 1.00 2.35 H new ATOM 0 HB3 ARG A 94 -8.541 7.522 -0.615 1.00 2.35 H new ATOM 0 HG2 ARG A 94 -9.896 8.230 -2.604 1.00 3.37 H new ATOM 0 HG3 ARG A 94 -10.816 9.297 -1.563 1.00 3.37 H new ATOM 0 HD2 ARG A 94 -7.851 9.439 -2.187 1.00 4.38 H new ATOM 0 HD3 ARG A 94 -9.090 10.592 -2.644 1.00 4.38 H new ATOM 0 HE ARG A 94 -8.185 10.134 0.183 1.00 5.11 H new ATOM 0 HH11 ARG A 94 -9.666 12.161 -2.304 1.00 6.36 H new ATOM 0 HH12 ARG A 94 -9.543 13.636 -1.338 1.00 6.36 H new ATOM 0 HH21 ARG A 94 -7.979 12.043 1.394 1.00 6.80 H new ATOM 0 HH22 ARG A 94 -8.592 13.569 0.746 1.00 6.80 H new ATOM 1546 N MET A 95 -12.547 7.852 -0.542 1.00 0.84 N ATOM 1547 CA MET A 95 -13.793 8.360 -1.061 1.00 1.41 C ATOM 1548 C MET A 95 -13.856 8.302 -2.583 1.00 1.48 C ATOM 1549 O MET A 95 -14.842 7.842 -3.157 1.00 2.12 O ATOM 1550 CB MET A 95 -13.960 9.818 -0.610 1.00 2.09 C ATOM 1551 CG MET A 95 -13.115 10.198 0.609 1.00 2.32 C ATOM 1552 SD MET A 95 -13.254 11.943 1.046 1.00 3.26 S ATOM 1553 CE MET A 95 -12.682 12.731 -0.460 1.00 3.27 C ATOM 0 H MET A 95 -12.331 8.224 0.383 1.00 0.84 H new ATOM 0 HA MET A 95 -14.595 7.732 -0.674 1.00 1.41 H new ATOM 0 HB2 MET A 95 -13.698 10.475 -1.439 1.00 2.09 H new ATOM 0 HB3 MET A 95 -15.010 9.998 -0.380 1.00 2.09 H new ATOM 0 HG2 MET A 95 -13.421 9.590 1.460 1.00 2.32 H new ATOM 0 HG3 MET A 95 -12.070 9.961 0.408 1.00 2.32 H new ATOM 0 HE1 MET A 95 -12.227 13.692 -0.218 1.00 3.27 H new ATOM 0 HE2 MET A 95 -11.945 12.093 -0.947 1.00 3.27 H new ATOM 0 HE3 MET A 95 -13.526 12.888 -1.132 1.00 3.27 H new ATOM 1563 N ASP A 96 -12.782 8.767 -3.215 1.00 1.26 N ATOM 1564 CA ASP A 96 -12.702 8.849 -4.667 1.00 1.45 C ATOM 1565 C ASP A 96 -12.060 7.593 -5.255 1.00 1.30 C ATOM 1566 O ASP A 96 -12.694 6.854 -6.008 1.00 1.97 O ATOM 1567 CB ASP A 96 -11.880 10.072 -5.075 1.00 1.76 C ATOM 1568 CG ASP A 96 -12.181 11.285 -4.221 1.00 2.34 C ATOM 1569 OD1 ASP A 96 -13.208 11.953 -4.464 1.00 2.78 O ATOM 1570 OD2 ASP A 96 -11.388 11.571 -3.299 1.00 2.86 O ATOM 0 H ASP A 96 -11.945 9.097 -2.734 1.00 1.26 H new ATOM 0 HA ASP A 96 -13.717 8.937 -5.055 1.00 1.45 H new ATOM 0 HB2 ASP A 96 -10.819 9.834 -5.001 1.00 1.76 H new ATOM 0 HB3 ASP A 96 -12.081 10.309 -6.120 1.00 1.76 H new ATOM 1575 N ALA A 97 -10.801 7.347 -4.895 1.00 0.84 N ATOM 1576 CA ALA A 97 -10.036 6.240 -5.463 1.00 0.62 C ATOM 1577 C ALA A 97 -9.024 5.731 -4.463 1.00 0.60 C ATOM 1578 O ALA A 97 -8.990 6.155 -3.310 1.00 0.92 O ATOM 1579 CB ALA A 97 -9.304 6.675 -6.734 1.00 0.55 C ATOM 0 H ALA A 97 -10.288 7.902 -4.210 1.00 0.84 H new ATOM 0 HA ALA A 97 -10.740 5.445 -5.711 1.00 0.62 H new ATOM 0 HB1 ALA A 97 -8.742 5.832 -7.137 1.00 0.55 H new ATOM 0 HB2 ALA A 97 -10.029 7.014 -7.474 1.00 0.55 H new ATOM 0 HB3 ALA A 97 -8.618 7.489 -6.498 1.00 0.55 H new ATOM 1585 N ILE A 98 -8.204 4.819 -4.931 1.00 0.39 N ATOM 1586 CA ILE A 98 -7.090 4.305 -4.176 1.00 0.34 C ATOM 1587 C ILE A 98 -5.889 5.214 -4.374 1.00 0.32 C ATOM 1588 O ILE A 98 -5.393 5.388 -5.492 1.00 0.35 O ATOM 1589 CB ILE A 98 -6.760 2.864 -4.614 1.00 0.37 C ATOM 1590 CG1 ILE A 98 -7.899 1.939 -4.170 1.00 0.46 C ATOM 1591 CG2 ILE A 98 -5.409 2.406 -4.016 1.00 0.38 C ATOM 1592 CD1 ILE A 98 -7.774 1.495 -2.747 1.00 0.50 C ATOM 0 H ILE A 98 -8.295 4.409 -5.860 1.00 0.39 H new ATOM 0 HA ILE A 98 -7.351 4.282 -3.118 1.00 0.34 H new ATOM 0 HB ILE A 98 -6.666 2.824 -5.699 1.00 0.37 H new ATOM 0 HG12 ILE A 98 -8.850 2.455 -4.301 1.00 0.46 H new ATOM 0 HG13 ILE A 98 -7.920 1.062 -4.817 1.00 0.46 H new ATOM 0 HG21 ILE A 98 -5.196 1.387 -4.338 1.00 0.38 H new ATOM 0 HG22 ILE A 98 -4.615 3.069 -4.360 1.00 0.38 H new ATOM 0 HG23 ILE A 98 -5.463 2.439 -2.928 1.00 0.38 H new ATOM 0 HD11 ILE A 98 -8.610 0.843 -2.494 1.00 0.50 H new ATOM 0 HD12 ILE A 98 -6.838 0.952 -2.616 1.00 0.50 H new ATOM 0 HD13 ILE A 98 -7.782 2.366 -2.092 1.00 0.50 H new ATOM 1604 N TYR A 99 -5.462 5.823 -3.290 1.00 0.40 N ATOM 1605 CA TYR A 99 -4.318 6.721 -3.315 1.00 0.53 C ATOM 1606 C TYR A 99 -3.039 5.930 -3.488 1.00 0.63 C ATOM 1607 O TYR A 99 -2.945 4.785 -3.054 1.00 0.86 O ATOM 1608 CB TYR A 99 -4.229 7.526 -2.018 1.00 0.79 C ATOM 1609 CG TYR A 99 -4.744 8.952 -2.088 1.00 1.11 C ATOM 1610 CD1 TYR A 99 -5.419 9.389 -3.221 1.00 1.77 C ATOM 1611 CD2 TYR A 99 -4.576 9.853 -1.043 1.00 1.50 C ATOM 1612 CE1 TYR A 99 -5.912 10.674 -3.313 1.00 2.60 C ATOM 1613 CE2 TYR A 99 -5.066 11.143 -1.132 1.00 2.26 C ATOM 1614 CZ TYR A 99 -5.642 11.584 -2.165 1.00 2.77 C ATOM 1615 OH TYR A 99 -6.222 12.829 -2.352 1.00 3.67 O ATOM 0 H TYR A 99 -5.891 5.714 -2.371 1.00 0.40 H new ATOM 0 HA TYR A 99 -4.448 7.406 -4.153 1.00 0.53 H new ATOM 0 HB2 TYR A 99 -4.786 6.996 -1.245 1.00 0.79 H new ATOM 0 HB3 TYR A 99 -3.187 7.551 -1.699 1.00 0.79 H new ATOM 0 HD1 TYR A 99 -5.561 8.708 -4.047 1.00 1.77 H new ATOM 0 HD2 TYR A 99 -4.056 9.541 -0.149 1.00 1.50 H new ATOM 0 HE1 TYR A 99 -6.468 11.005 -4.178 1.00 2.60 H new ATOM 0 HE2 TYR A 99 -4.951 11.800 -0.283 1.00 2.26 H new ATOM 0 HH TYR A 99 -6.026 13.400 -1.580 1.00 3.67 H new ATOM 1625 N PHE A 100 -2.070 6.542 -4.131 1.00 0.72 N ATOM 1626 CA PHE A 100 -0.767 5.940 -4.295 1.00 0.91 C ATOM 1627 C PHE A 100 0.297 7.001 -4.085 1.00 1.25 C ATOM 1628 O PHE A 100 0.512 7.857 -4.944 1.00 1.90 O ATOM 1629 CB PHE A 100 -0.643 5.334 -5.691 1.00 1.20 C ATOM 1630 CG PHE A 100 0.517 4.397 -5.854 1.00 1.73 C ATOM 1631 CD1 PHE A 100 1.777 4.870 -6.176 1.00 2.22 C ATOM 1632 CD2 PHE A 100 0.336 3.039 -5.696 1.00 2.19 C ATOM 1633 CE1 PHE A 100 2.835 3.997 -6.336 1.00 2.83 C ATOM 1634 CE2 PHE A 100 1.389 2.161 -5.853 1.00 2.91 C ATOM 1635 CZ PHE A 100 2.640 2.641 -6.174 1.00 3.12 C ATOM 0 H PHE A 100 -2.162 7.466 -4.553 1.00 0.72 H new ATOM 0 HA PHE A 100 -0.635 5.144 -3.562 1.00 0.91 H new ATOM 0 HB2 PHE A 100 -1.563 4.799 -5.926 1.00 1.20 H new ATOM 0 HB3 PHE A 100 -0.549 6.141 -6.418 1.00 1.20 H new ATOM 0 HD1 PHE A 100 1.934 5.931 -6.303 1.00 2.22 H new ATOM 0 HD2 PHE A 100 -0.643 2.658 -5.446 1.00 2.19 H new ATOM 0 HE1 PHE A 100 3.815 4.376 -6.588 1.00 2.83 H new ATOM 0 HE2 PHE A 100 1.233 1.100 -5.725 1.00 2.91 H new ATOM 0 HZ PHE A 100 3.466 1.957 -6.299 1.00 3.12 H new ATOM 1645 N LYS A 101 0.932 6.975 -2.929 1.00 1.07 N ATOM 1646 CA LYS A 101 1.958 7.949 -2.629 1.00 1.43 C ATOM 1647 C LYS A 101 3.340 7.384 -2.853 1.00 1.37 C ATOM 1648 O LYS A 101 3.713 6.353 -2.293 1.00 1.55 O ATOM 1649 CB LYS A 101 1.855 8.462 -1.197 1.00 2.06 C ATOM 1650 CG LYS A 101 3.012 9.371 -0.808 1.00 2.92 C ATOM 1651 CD LYS A 101 3.013 9.695 0.673 1.00 3.76 C ATOM 1652 CE LYS A 101 4.226 10.530 1.059 1.00 4.58 C ATOM 1653 NZ LYS A 101 4.220 11.869 0.411 1.00 5.15 N ATOM 0 H LYS A 101 0.756 6.295 -2.189 1.00 1.07 H new ATOM 0 HA LYS A 101 1.796 8.782 -3.313 1.00 1.43 H new ATOM 0 HB2 LYS A 101 0.917 9.005 -1.078 1.00 2.06 H new ATOM 0 HB3 LYS A 101 1.821 7.613 -0.514 1.00 2.06 H new ATOM 0 HG2 LYS A 101 3.954 8.891 -1.074 1.00 2.92 H new ATOM 0 HG3 LYS A 101 2.953 10.297 -1.381 1.00 2.92 H new ATOM 0 HD2 LYS A 101 2.101 10.235 0.929 1.00 3.76 H new ATOM 0 HD3 LYS A 101 3.008 8.770 1.249 1.00 3.76 H new ATOM 0 HE2 LYS A 101 4.250 10.653 2.142 1.00 4.58 H new ATOM 0 HE3 LYS A 101 5.135 9.997 0.779 1.00 4.58 H new ATOM 0 HZ1 LYS A 101 5.038 12.419 0.743 1.00 5.15 H new ATOM 0 HZ2 LYS A 101 4.276 11.755 -0.621 1.00 5.15 H new ATOM 0 HZ3 LYS A 101 3.343 12.370 0.657 1.00 5.15 H new ATOM 1667 N MET A 102 4.074 8.083 -3.684 1.00 1.76 N ATOM 1668 CA MET A 102 5.493 7.852 -3.865 1.00 2.21 C ATOM 1669 C MET A 102 6.222 8.918 -3.071 1.00 2.42 C ATOM 1670 O MET A 102 5.609 9.910 -2.685 1.00 2.62 O ATOM 1671 CB MET A 102 5.869 7.952 -5.345 1.00 2.82 C ATOM 1672 CG MET A 102 5.186 6.919 -6.225 1.00 3.61 C ATOM 1673 SD MET A 102 5.582 7.138 -7.971 1.00 4.57 S ATOM 1674 CE MET A 102 4.632 5.807 -8.702 1.00 5.14 C ATOM 0 H MET A 102 3.702 8.837 -4.262 1.00 1.76 H new ATOM 0 HA MET A 102 5.765 6.854 -3.522 1.00 2.21 H new ATOM 0 HB2 MET A 102 5.616 8.948 -5.708 1.00 2.82 H new ATOM 0 HB3 MET A 102 6.949 7.842 -5.444 1.00 2.82 H new ATOM 0 HG2 MET A 102 5.487 5.920 -5.909 1.00 3.61 H new ATOM 0 HG3 MET A 102 4.107 6.985 -6.088 1.00 3.61 H new ATOM 0 HE1 MET A 102 4.731 5.843 -9.787 1.00 5.14 H new ATOM 0 HE2 MET A 102 5.004 4.850 -8.335 1.00 5.14 H new ATOM 0 HE3 MET A 102 3.582 5.917 -8.429 1.00 5.14 H new ATOM 1684 N ASP A 103 7.502 8.741 -2.808 1.00 2.92 N ATOM 1685 CA ASP A 103 8.237 9.783 -2.108 1.00 3.46 C ATOM 1686 C ASP A 103 8.481 10.930 -3.054 1.00 3.62 C ATOM 1687 O ASP A 103 8.294 10.786 -4.266 1.00 3.77 O ATOM 1688 CB ASP A 103 9.563 9.308 -1.580 1.00 4.39 C ATOM 1689 CG ASP A 103 10.006 10.090 -0.358 1.00 5.03 C ATOM 1690 OD1 ASP A 103 10.858 10.995 -0.501 1.00 5.64 O ATOM 1691 OD2 ASP A 103 9.492 9.820 0.745 1.00 5.25 O ATOM 0 H ASP A 103 8.044 7.914 -3.058 1.00 2.92 H new ATOM 0 HA ASP A 103 7.631 10.088 -1.255 1.00 3.46 H new ATOM 0 HB2 ASP A 103 9.494 8.250 -1.327 1.00 4.39 H new ATOM 0 HB3 ASP A 103 10.317 9.400 -2.361 1.00 4.39 H new ATOM 1696 N GLU A 104 8.908 12.056 -2.500 1.00 4.02 N ATOM 1697 CA GLU A 104 9.019 13.311 -3.246 1.00 4.43 C ATOM 1698 C GLU A 104 7.636 13.817 -3.686 1.00 4.28 C ATOM 1699 O GLU A 104 7.449 15.006 -3.961 1.00 4.73 O ATOM 1700 CB GLU A 104 9.932 13.117 -4.457 1.00 4.95 C ATOM 1701 CG GLU A 104 9.951 14.286 -5.429 1.00 5.34 C ATOM 1702 CD GLU A 104 10.581 13.925 -6.755 1.00 6.03 C ATOM 1703 OE1 GLU A 104 11.734 14.339 -7.007 1.00 6.26 O ATOM 1704 OE2 GLU A 104 9.927 13.222 -7.555 1.00 6.61 O ATOM 0 H GLU A 104 9.188 12.130 -1.522 1.00 4.02 H new ATOM 0 HA GLU A 104 9.455 14.065 -2.591 1.00 4.43 H new ATOM 0 HB2 GLU A 104 10.948 12.938 -4.105 1.00 4.95 H new ATOM 0 HB3 GLU A 104 9.618 12.221 -4.993 1.00 4.95 H new ATOM 0 HG2 GLU A 104 8.931 14.632 -5.597 1.00 5.34 H new ATOM 0 HG3 GLU A 104 10.499 15.116 -4.984 1.00 5.34 H new ATOM 1711 N ARG A 105 6.672 12.912 -3.726 1.00 3.93 N ATOM 1712 CA ARG A 105 5.362 13.199 -4.294 1.00 3.96 C ATOM 1713 C ARG A 105 4.250 13.033 -3.261 1.00 3.41 C ATOM 1714 O ARG A 105 4.384 12.277 -2.299 1.00 3.35 O ATOM 1715 CB ARG A 105 5.110 12.263 -5.482 1.00 4.49 C ATOM 1716 CG ARG A 105 6.169 12.360 -6.569 1.00 4.98 C ATOM 1717 CD ARG A 105 6.145 13.717 -7.252 1.00 5.81 C ATOM 1718 NE ARG A 105 7.298 13.909 -8.130 1.00 6.29 N ATOM 1719 CZ ARG A 105 7.249 14.537 -9.303 1.00 7.10 C ATOM 1720 NH1 ARG A 105 6.093 14.976 -9.787 1.00 7.50 N ATOM 1721 NH2 ARG A 105 8.360 14.712 -10.003 1.00 7.74 N ATOM 0 H ARG A 105 6.773 11.962 -3.368 1.00 3.93 H new ATOM 0 HA ARG A 105 5.354 14.238 -4.625 1.00 3.96 H new ATOM 0 HB2 ARG A 105 5.065 11.235 -5.121 1.00 4.49 H new ATOM 0 HB3 ARG A 105 4.136 12.492 -5.914 1.00 4.49 H new ATOM 0 HG2 ARG A 105 7.154 12.188 -6.135 1.00 4.98 H new ATOM 0 HG3 ARG A 105 6.005 11.576 -7.309 1.00 4.98 H new ATOM 0 HD2 ARG A 105 5.227 13.815 -7.832 1.00 5.81 H new ATOM 0 HD3 ARG A 105 6.130 14.503 -6.497 1.00 5.81 H new ATOM 0 HE ARG A 105 8.198 13.538 -7.824 1.00 6.29 H new ATOM 0 HH11 ARG A 105 5.232 14.833 -9.259 1.00 7.50 H new ATOM 0 HH12 ARG A 105 6.066 15.456 -10.687 1.00 7.50 H new ATOM 0 HH21 ARG A 105 9.249 14.366 -9.643 1.00 7.74 H new ATOM 0 HH22 ARG A 105 8.326 15.193 -10.902 1.00 7.74 H new ATOM 1735 N PRO A 106 3.145 13.768 -3.439 1.00 3.33 N ATOM 1736 CA PRO A 106 1.945 13.604 -2.621 1.00 3.10 C ATOM 1737 C PRO A 106 1.112 12.408 -3.086 1.00 2.43 C ATOM 1738 O PRO A 106 1.260 11.948 -4.220 1.00 2.29 O ATOM 1739 CB PRO A 106 1.195 14.913 -2.862 1.00 3.53 C ATOM 1740 CG PRO A 106 1.573 15.312 -4.244 1.00 4.00 C ATOM 1741 CD PRO A 106 2.985 14.835 -4.448 1.00 3.83 C ATOM 0 HA PRO A 106 2.165 13.411 -1.571 1.00 3.10 H new ATOM 0 HB2 PRO A 106 0.118 14.776 -2.770 1.00 3.53 H new ATOM 0 HB3 PRO A 106 1.483 15.674 -2.137 1.00 3.53 H new ATOM 0 HG2 PRO A 106 0.901 14.864 -4.976 1.00 4.00 H new ATOM 0 HG3 PRO A 106 1.505 16.393 -4.369 1.00 4.00 H new ATOM 0 HD2 PRO A 106 3.137 14.456 -5.459 1.00 3.83 H new ATOM 0 HD3 PRO A 106 3.705 15.639 -4.297 1.00 3.83 H new ATOM 1749 N PRO A 107 0.231 11.879 -2.219 1.00 2.31 N ATOM 1750 CA PRO A 107 -0.608 10.729 -2.559 1.00 1.85 C ATOM 1751 C PRO A 107 -1.659 11.080 -3.606 1.00 1.51 C ATOM 1752 O PRO A 107 -2.613 11.804 -3.323 1.00 1.80 O ATOM 1753 CB PRO A 107 -1.287 10.355 -1.233 1.00 2.23 C ATOM 1754 CG PRO A 107 -0.583 11.140 -0.176 1.00 2.91 C ATOM 1755 CD PRO A 107 -0.023 12.354 -0.854 1.00 2.93 C ATOM 0 HA PRO A 107 -0.021 9.917 -2.989 1.00 1.85 H new ATOM 0 HB2 PRO A 107 -2.350 10.597 -1.257 1.00 2.23 H new ATOM 0 HB3 PRO A 107 -1.208 9.285 -1.042 1.00 2.23 H new ATOM 0 HG2 PRO A 107 -1.271 11.423 0.621 1.00 2.91 H new ATOM 0 HG3 PRO A 107 0.211 10.550 0.282 1.00 2.91 H new ATOM 0 HD2 PRO A 107 -0.728 13.186 -0.840 1.00 2.93 H new ATOM 0 HD3 PRO A 107 0.890 12.702 -0.371 1.00 2.93 H new ATOM 1763 N GLN A 108 -1.478 10.566 -4.813 1.00 1.09 N ATOM 1764 CA GLN A 108 -2.408 10.825 -5.902 1.00 0.94 C ATOM 1765 C GLN A 108 -3.350 9.645 -6.094 1.00 0.70 C ATOM 1766 O GLN A 108 -2.990 8.506 -5.798 1.00 0.64 O ATOM 1767 CB GLN A 108 -1.646 11.075 -7.204 1.00 1.18 C ATOM 1768 CG GLN A 108 -0.824 12.355 -7.210 1.00 1.72 C ATOM 1769 CD GLN A 108 -1.681 13.606 -7.155 1.00 2.15 C ATOM 1770 OE1 GLN A 108 -1.979 14.129 -6.083 1.00 2.57 O ATOM 1771 NE2 GLN A 108 -2.090 14.094 -8.315 1.00 2.71 N ATOM 0 H GLN A 108 -0.693 9.965 -5.064 1.00 1.09 H new ATOM 0 HA GLN A 108 -2.989 11.710 -5.645 1.00 0.94 H new ATOM 0 HB2 GLN A 108 -0.983 10.230 -7.392 1.00 1.18 H new ATOM 0 HB3 GLN A 108 -2.359 11.110 -8.028 1.00 1.18 H new ATOM 0 HG2 GLN A 108 -0.144 12.348 -6.358 1.00 1.72 H new ATOM 0 HG3 GLN A 108 -0.208 12.381 -8.109 1.00 1.72 H new ATOM 0 HE21 GLN A 108 -1.823 13.633 -9.185 1.00 2.71 H new ATOM 0 HE22 GLN A 108 -2.672 14.931 -8.339 1.00 2.71 H new ATOM 1780 N PRO A 109 -4.578 9.904 -6.571 1.00 0.68 N ATOM 1781 CA PRO A 109 -5.516 8.847 -6.953 1.00 0.55 C ATOM 1782 C PRO A 109 -4.980 8.052 -8.132 1.00 0.56 C ATOM 1783 O PRO A 109 -5.044 8.508 -9.277 1.00 0.80 O ATOM 1784 CB PRO A 109 -6.779 9.603 -7.372 1.00 0.65 C ATOM 1785 CG PRO A 109 -6.625 10.983 -6.834 1.00 0.82 C ATOM 1786 CD PRO A 109 -5.150 11.246 -6.768 1.00 0.91 C ATOM 0 HA PRO A 109 -5.688 8.137 -6.144 1.00 0.55 H new ATOM 0 HB2 PRO A 109 -6.885 9.616 -8.457 1.00 0.65 H new ATOM 0 HB3 PRO A 109 -7.672 9.124 -6.970 1.00 0.65 H new ATOM 0 HG2 PRO A 109 -7.121 11.709 -7.478 1.00 0.82 H new ATOM 0 HG3 PRO A 109 -7.080 11.069 -5.847 1.00 0.82 H new ATOM 0 HD2 PRO A 109 -4.782 11.710 -7.683 1.00 0.91 H new ATOM 0 HD3 PRO A 109 -4.897 11.916 -5.947 1.00 0.91 H new ATOM 1794 N LEU A 110 -4.441 6.874 -7.868 1.00 0.49 N ATOM 1795 CA LEU A 110 -3.748 6.138 -8.909 1.00 0.61 C ATOM 1796 C LEU A 110 -4.325 4.746 -9.103 1.00 0.51 C ATOM 1797 O LEU A 110 -3.839 3.974 -9.933 1.00 0.62 O ATOM 1798 CB LEU A 110 -2.265 6.046 -8.574 1.00 0.83 C ATOM 1799 CG LEU A 110 -1.348 5.684 -9.745 1.00 1.22 C ATOM 1800 CD1 LEU A 110 -1.432 6.740 -10.835 1.00 1.89 C ATOM 1801 CD2 LEU A 110 0.088 5.524 -9.274 1.00 1.61 C ATOM 0 H LEU A 110 -4.469 6.414 -6.958 1.00 0.49 H new ATOM 0 HA LEU A 110 -3.882 6.681 -9.845 1.00 0.61 H new ATOM 0 HB2 LEU A 110 -1.942 7.003 -8.165 1.00 0.83 H new ATOM 0 HB3 LEU A 110 -2.133 5.302 -7.788 1.00 0.83 H new ATOM 0 HG LEU A 110 -1.683 4.732 -10.157 1.00 1.22 H new ATOM 0 HD11 LEU A 110 -0.773 6.466 -11.659 1.00 1.89 H new ATOM 0 HD12 LEU A 110 -2.458 6.808 -11.197 1.00 1.89 H new ATOM 0 HD13 LEU A 110 -1.125 7.705 -10.431 1.00 1.89 H new ATOM 0 HD21 LEU A 110 0.723 5.267 -10.122 1.00 1.61 H new ATOM 0 HD22 LEU A 110 0.433 6.459 -8.833 1.00 1.61 H new ATOM 0 HD23 LEU A 110 0.140 4.731 -8.528 1.00 1.61 H new ATOM 1813 N ASN A 111 -5.355 4.417 -8.350 1.00 0.42 N ATOM 1814 CA ASN A 111 -6.009 3.139 -8.510 1.00 0.48 C ATOM 1815 C ASN A 111 -7.394 3.292 -7.974 1.00 0.42 C ATOM 1816 O ASN A 111 -7.707 4.328 -7.414 1.00 0.50 O ATOM 1817 CB ASN A 111 -5.252 2.015 -7.789 1.00 0.60 C ATOM 1818 CG ASN A 111 -5.304 0.715 -8.561 1.00 1.17 C ATOM 1819 OD1 ASN A 111 -6.295 0.409 -9.227 1.00 1.86 O ATOM 1820 ND2 ASN A 111 -4.228 -0.045 -8.496 1.00 1.75 N ATOM 0 H ASN A 111 -5.754 5.015 -7.626 1.00 0.42 H new ATOM 0 HA ASN A 111 -6.029 2.854 -9.562 1.00 0.48 H new ATOM 0 HB2 ASN A 111 -4.213 2.311 -7.646 1.00 0.60 H new ATOM 0 HB3 ASN A 111 -5.681 1.866 -6.798 1.00 0.60 H new ATOM 0 HD21 ASN A 111 -4.194 -0.925 -9.010 1.00 1.75 H new ATOM 0 HD22 ASN A 111 -3.430 0.248 -7.932 1.00 1.75 H new ATOM 1827 N LYS A 112 -8.240 2.320 -8.160 1.00 0.59 N ATOM 1828 CA LYS A 112 -9.566 2.429 -7.645 1.00 0.60 C ATOM 1829 C LYS A 112 -10.059 1.122 -7.092 1.00 0.72 C ATOM 1830 O LYS A 112 -9.878 0.056 -7.684 1.00 0.84 O ATOM 1831 CB LYS A 112 -10.507 2.907 -8.727 1.00 0.72 C ATOM 1832 CG LYS A 112 -10.482 2.064 -9.995 1.00 1.33 C ATOM 1833 CD LYS A 112 -11.532 2.515 -10.997 1.00 1.68 C ATOM 1834 CE LYS A 112 -12.944 2.329 -10.457 1.00 2.31 C ATOM 1835 NZ LYS A 112 -13.976 2.720 -11.453 1.00 2.93 N ATOM 0 H LYS A 112 -8.035 1.454 -8.659 1.00 0.59 H new ATOM 0 HA LYS A 112 -9.542 3.153 -6.831 1.00 0.60 H new ATOM 0 HB2 LYS A 112 -11.522 2.917 -8.331 1.00 0.72 H new ATOM 0 HB3 LYS A 112 -10.255 3.936 -8.983 1.00 0.72 H new ATOM 0 HG2 LYS A 112 -9.494 2.125 -10.452 1.00 1.33 H new ATOM 0 HG3 LYS A 112 -10.650 1.018 -9.739 1.00 1.33 H new ATOM 0 HD2 LYS A 112 -11.372 3.565 -11.244 1.00 1.68 H new ATOM 0 HD3 LYS A 112 -11.419 1.949 -11.922 1.00 1.68 H new ATOM 0 HE2 LYS A 112 -13.090 1.287 -10.174 1.00 2.31 H new ATOM 0 HE3 LYS A 112 -13.068 2.925 -9.553 1.00 2.31 H new ATOM 0 HZ1 LYS A 112 -14.923 2.578 -11.046 1.00 2.93 H new ATOM 0 HZ2 LYS A 112 -13.854 3.722 -11.705 1.00 2.93 H new ATOM 0 HZ3 LYS A 112 -13.875 2.134 -12.306 1.00 2.93 H new ATOM 1849 N TRP A 113 -10.687 1.229 -5.954 1.00 0.77 N ATOM 1850 CA TRP A 113 -11.327 0.109 -5.327 1.00 0.97 C ATOM 1851 C TRP A 113 -12.643 -0.186 -6.004 1.00 1.02 C ATOM 1852 O TRP A 113 -13.067 0.515 -6.926 1.00 1.12 O ATOM 1853 CB TRP A 113 -11.588 0.377 -3.859 1.00 1.07 C ATOM 1854 CG TRP A 113 -12.174 1.739 -3.609 1.00 0.99 C ATOM 1855 CD1 TRP A 113 -11.492 2.864 -3.241 1.00 0.86 C ATOM 1856 CD2 TRP A 113 -13.550 2.130 -3.729 1.00 1.35 C ATOM 1857 NE1 TRP A 113 -12.354 3.925 -3.136 1.00 1.06 N ATOM 1858 CE2 TRP A 113 -13.621 3.501 -3.426 1.00 1.36 C ATOM 1859 CE3 TRP A 113 -14.728 1.456 -4.064 1.00 1.82 C ATOM 1860 CZ2 TRP A 113 -14.819 4.210 -3.451 1.00 1.79 C ATOM 1861 CZ3 TRP A 113 -15.917 2.160 -4.086 1.00 2.23 C ATOM 1862 CH2 TRP A 113 -15.954 3.524 -3.783 1.00 2.20 C ATOM 0 H TRP A 113 -10.769 2.102 -5.433 1.00 0.77 H new ATOM 0 HA TRP A 113 -10.657 -0.745 -5.420 1.00 0.97 H new ATOM 0 HB2 TRP A 113 -12.267 -0.382 -3.471 1.00 1.07 H new ATOM 0 HB3 TRP A 113 -10.654 0.282 -3.306 1.00 1.07 H new ATOM 0 HD1 TRP A 113 -10.428 2.911 -3.059 1.00 0.86 H new ATOM 0 HE1 TRP A 113 -12.092 4.878 -2.882 1.00 1.06 H new ATOM 0 HE3 TRP A 113 -14.709 0.403 -4.302 1.00 1.82 H new ATOM 0 HZ2 TRP A 113 -14.851 5.264 -3.217 1.00 1.79 H new ATOM 0 HZ3 TRP A 113 -16.833 1.648 -4.342 1.00 2.23 H new ATOM 0 HH2 TRP A 113 -16.899 4.047 -3.812 1.00 2.20 H new ATOM 1873 N ARG A 114 -13.282 -1.217 -5.522 1.00 1.34 N ATOM 1874 CA ARG A 114 -14.539 -1.660 -6.052 1.00 1.50 C ATOM 1875 C ARG A 114 -15.484 -1.982 -4.916 1.00 1.82 C ATOM 1876 O ARG A 114 -15.074 -2.006 -3.754 1.00 2.41 O ATOM 1877 CB ARG A 114 -14.305 -2.905 -6.862 1.00 1.80 C ATOM 1878 CG ARG A 114 -13.581 -2.678 -8.179 1.00 2.76 C ATOM 1879 CD ARG A 114 -13.357 -3.986 -8.918 1.00 3.56 C ATOM 1880 NE ARG A 114 -14.612 -4.694 -9.178 1.00 4.38 N ATOM 1881 CZ ARG A 114 -14.686 -5.977 -9.531 1.00 5.34 C ATOM 1882 NH1 ARG A 114 -13.582 -6.705 -9.654 1.00 5.63 N ATOM 1883 NH2 ARG A 114 -15.870 -6.533 -9.761 1.00 6.29 N ATOM 0 H ARG A 114 -12.939 -1.778 -4.742 1.00 1.34 H new ATOM 0 HA ARG A 114 -14.974 -0.878 -6.674 1.00 1.50 H new ATOM 0 HB2 ARG A 114 -13.728 -3.609 -6.262 1.00 1.80 H new ATOM 0 HB3 ARG A 114 -15.267 -3.375 -7.068 1.00 1.80 H new ATOM 0 HG2 ARG A 114 -14.162 -2.000 -8.804 1.00 2.76 H new ATOM 0 HG3 ARG A 114 -12.622 -2.195 -7.991 1.00 2.76 H new ATOM 0 HD2 ARG A 114 -12.852 -3.786 -9.863 1.00 3.56 H new ATOM 0 HD3 ARG A 114 -12.696 -4.624 -8.332 1.00 3.56 H new ATOM 0 HE ARG A 114 -15.484 -4.173 -9.083 1.00 4.38 H new ATOM 0 HH11 ARG A 114 -12.670 -6.283 -9.478 1.00 5.63 H new ATOM 0 HH12 ARG A 114 -13.646 -7.686 -9.924 1.00 5.63 H new ATOM 0 HH21 ARG A 114 -16.721 -5.978 -9.667 1.00 6.29 H new ATOM 0 HH22 ARG A 114 -15.929 -7.515 -10.031 1.00 6.29 H new ATOM 1897 N SER A 115 -16.717 -2.276 -5.272 1.00 2.02 N ATOM 1898 CA SER A 115 -17.752 -2.623 -4.313 1.00 2.76 C ATOM 1899 C SER A 115 -19.078 -2.823 -5.043 1.00 3.19 C ATOM 1900 O SER A 115 -19.191 -3.804 -5.804 1.00 3.60 O ATOM 1901 CB SER A 115 -17.879 -1.532 -3.239 1.00 3.33 C ATOM 1902 OG SER A 115 -18.165 -0.267 -3.814 1.00 4.01 O ATOM 1903 OXT SER A 115 -19.998 -1.997 -4.871 1.00 3.62 O ATOM 0 H SER A 115 -17.034 -2.282 -6.241 1.00 2.02 H new ATOM 0 HA SER A 115 -17.480 -3.553 -3.814 1.00 2.76 H new ATOM 0 HB2 SER A 115 -18.669 -1.801 -2.537 1.00 3.33 H new ATOM 0 HB3 SER A 115 -16.952 -1.472 -2.668 1.00 3.33 H new ATOM 0 HG SER A 115 -18.983 -0.329 -4.350 1.00 4.01 H new TER 1909 SER A 115