USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 844 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 84 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 9 SER OG : rot -55:sc= 0.135 USER MOD Set 2.2: A 59 SER OG : rot -170:sc= 0.929 USER MOD Single : A 4 TYR OH : rot -131:sc= 0.246 USER MOD Single : A 10 ASN : amide:sc= -0.183 X(o=-0.18,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 167:sc= -0.0227 (180deg=-0.182) USER MOD Single : A 13 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0404) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -153:sc= -1.57 (180deg=-4.05!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 173:sc=-0.00172 (180deg=-0.0467) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -145:sc= 0.578 (180deg=0.116) USER MOD Single : A 40 LYS NZ :NH3+ -113:sc= 0.399 (180deg=0.218) USER MOD Single : A 41 TYR OH : rot -172:sc= 0.522 USER MOD Single : A 47 LYS NZ :NH3+ -160:sc= 0.389 (180deg=0.0825) USER MOD Single : A 49 SER OG : rot -88:sc= 0.594 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= -0.158 (180deg=-0.158) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 66 LYS NZ :NH3+ 160:sc=-0.00829 (180deg=-0.237) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 73 LYS NZ :NH3+ -127:sc= 0.59 (180deg=-0.00644) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 150:sc= 0.787 (180deg=0.388) USER MOD Single : A 90 LYS NZ :NH3+ -148:sc= 0.265 (180deg=-0.54) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot -1:sc= 0.175 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -10.906 -0.916 9.440 1.00 52.21 N ATOM 21 CA LEU A 2 -10.154 -1.932 8.685 1.00 21.44 C ATOM 22 C LEU A 2 -8.855 -1.289 8.157 1.00 11.21 C ATOM 23 O LEU A 2 -8.914 -0.271 7.467 1.00 11.13 O ATOM 24 CB LEU A 2 -11.026 -2.459 7.505 1.00 51.13 C ATOM 25 CG LEU A 2 -12.441 -3.025 7.862 1.00 10.25 C ATOM 26 CD1 LEU A 2 -13.248 -3.349 6.585 1.00 5.31 C ATOM 27 CD2 LEU A 2 -12.347 -4.256 8.790 1.00 33.44 C ATOM 0 HA LEU A 2 -9.904 -2.776 9.328 1.00 21.44 H new ATOM 0 HB2 LEU A 2 -11.157 -1.645 6.792 1.00 51.13 H new ATOM 0 HB3 LEU A 2 -10.467 -3.243 6.995 1.00 51.13 H new ATOM 0 HG LEU A 2 -12.974 -2.247 8.409 1.00 10.25 H new ATOM 0 HD11 LEU A 2 -14.227 -3.740 6.863 1.00 5.31 H new ATOM 0 HD12 LEU A 2 -13.374 -2.442 5.994 1.00 5.31 H new ATOM 0 HD13 LEU A 2 -12.713 -4.094 5.996 1.00 5.31 H new ATOM 0 HD21 LEU A 2 -13.350 -4.620 9.015 1.00 33.44 H new ATOM 0 HD22 LEU A 2 -11.778 -5.043 8.294 1.00 33.44 H new ATOM 0 HD23 LEU A 2 -11.846 -3.976 9.717 1.00 33.44 H new ATOM 39 N LEU A 3 -7.681 -1.847 8.508 1.00 21.31 N ATOM 40 CA LEU A 3 -6.368 -1.268 8.129 1.00 63.20 C ATOM 41 C LEU A 3 -5.578 -2.262 7.253 1.00 22.24 C ATOM 42 O LEU A 3 -5.181 -3.337 7.713 1.00 25.54 O ATOM 43 CB LEU A 3 -5.568 -0.891 9.416 1.00 72.54 C ATOM 44 CG LEU A 3 -6.222 0.189 10.343 1.00 52.00 C ATOM 45 CD1 LEU A 3 -5.385 0.421 11.623 1.00 41.05 C ATOM 46 CD2 LEU A 3 -6.452 1.514 9.589 1.00 21.23 C ATOM 0 H LEU A 3 -7.610 -2.704 9.057 1.00 21.31 H new ATOM 0 HA LEU A 3 -6.528 -0.362 7.544 1.00 63.20 H new ATOM 0 HB2 LEU A 3 -5.413 -1.797 10.001 1.00 72.54 H new ATOM 0 HB3 LEU A 3 -4.583 -0.534 9.115 1.00 72.54 H new ATOM 0 HG LEU A 3 -7.195 -0.196 10.648 1.00 52.00 H new ATOM 0 HD11 LEU A 3 -5.869 1.176 12.242 1.00 41.05 H new ATOM 0 HD12 LEU A 3 -5.309 -0.512 12.182 1.00 41.05 H new ATOM 0 HD13 LEU A 3 -4.387 0.762 11.348 1.00 41.05 H new ATOM 0 HD21 LEU A 3 -6.907 2.241 10.262 1.00 21.23 H new ATOM 0 HD22 LEU A 3 -5.497 1.899 9.230 1.00 21.23 H new ATOM 0 HD23 LEU A 3 -7.114 1.340 8.741 1.00 21.23 H new ATOM 58 N TYR A 4 -5.375 -1.895 5.976 1.00 44.01 N ATOM 59 CA TYR A 4 -4.662 -2.725 4.982 1.00 23.21 C ATOM 60 C TYR A 4 -3.490 -1.946 4.377 1.00 63.12 C ATOM 61 O TYR A 4 -3.379 -0.724 4.534 1.00 71.25 O ATOM 62 CB TYR A 4 -5.622 -3.185 3.853 1.00 23.02 C ATOM 63 CG TYR A 4 -6.726 -4.149 4.320 1.00 45.33 C ATOM 64 CD1 TYR A 4 -6.522 -5.532 4.331 1.00 72.14 C ATOM 65 CD2 TYR A 4 -7.966 -3.674 4.749 1.00 50.43 C ATOM 66 CE1 TYR A 4 -7.514 -6.400 4.752 1.00 34.31 C ATOM 67 CE2 TYR A 4 -8.955 -4.540 5.172 1.00 21.00 C ATOM 68 CZ TYR A 4 -8.727 -5.897 5.169 1.00 70.34 C ATOM 69 OH TYR A 4 -9.721 -6.760 5.580 1.00 55.35 O ATOM 0 H TYR A 4 -5.703 -1.006 5.598 1.00 44.01 H new ATOM 0 HA TYR A 4 -4.279 -3.607 5.495 1.00 23.21 H new ATOM 0 HB2 TYR A 4 -6.087 -2.306 3.406 1.00 23.02 H new ATOM 0 HB3 TYR A 4 -5.039 -3.670 3.070 1.00 23.02 H new ATOM 0 HD1 TYR A 4 -5.573 -5.930 4.005 1.00 72.14 H new ATOM 0 HD2 TYR A 4 -8.155 -2.611 4.750 1.00 50.43 H new ATOM 0 HE1 TYR A 4 -7.338 -7.466 4.754 1.00 34.31 H new ATOM 0 HE2 TYR A 4 -9.907 -4.153 5.505 1.00 21.00 H new ATOM 0 HH TYR A 4 -10.563 -6.524 5.138 1.00 55.35 H new ATOM 79 N VAL A 5 -2.608 -2.692 3.704 1.00 32.21 N ATOM 80 CA VAL A 5 -1.413 -2.170 3.031 1.00 0.12 C ATOM 81 C VAL A 5 -1.308 -2.819 1.628 1.00 24.15 C ATOM 82 O VAL A 5 -1.427 -4.038 1.506 1.00 21.23 O ATOM 83 CB VAL A 5 -0.110 -2.487 3.887 1.00 73.42 C ATOM 84 CG1 VAL A 5 1.167 -2.040 3.169 1.00 61.32 C ATOM 85 CG2 VAL A 5 -0.179 -1.852 5.302 1.00 75.24 C ATOM 0 H VAL A 5 -2.708 -3.703 3.609 1.00 32.21 H new ATOM 0 HA VAL A 5 -1.494 -1.088 2.930 1.00 0.12 H new ATOM 0 HB VAL A 5 -0.074 -3.570 4.002 1.00 73.42 H new ATOM 0 HG11 VAL A 5 2.033 -2.275 3.787 1.00 61.32 H new ATOM 0 HG12 VAL A 5 1.250 -2.562 2.215 1.00 61.32 H new ATOM 0 HG13 VAL A 5 1.128 -0.965 2.992 1.00 61.32 H new ATOM 0 HG21 VAL A 5 0.730 -2.092 5.853 1.00 75.24 H new ATOM 0 HG22 VAL A 5 -0.273 -0.770 5.211 1.00 75.24 H new ATOM 0 HG23 VAL A 5 -1.043 -2.247 5.836 1.00 75.24 H new ATOM 95 N LEU A 6 -1.136 -1.995 0.574 1.00 61.40 N ATOM 96 CA LEU A 6 -0.834 -2.468 -0.799 1.00 34.51 C ATOM 97 C LEU A 6 0.539 -1.910 -1.204 1.00 31.31 C ATOM 98 O LEU A 6 0.727 -0.702 -1.199 1.00 35.00 O ATOM 99 CB LEU A 6 -1.920 -1.990 -1.816 1.00 62.04 C ATOM 100 CG LEU A 6 -3.395 -2.411 -1.525 1.00 41.51 C ATOM 101 CD1 LEU A 6 -4.362 -1.942 -2.643 1.00 61.23 C ATOM 102 CD2 LEU A 6 -3.526 -3.918 -1.274 1.00 25.01 C ATOM 0 H LEU A 6 -1.202 -0.980 0.648 1.00 61.40 H new ATOM 0 HA LEU A 6 -0.829 -3.558 -0.811 1.00 34.51 H new ATOM 0 HB2 LEU A 6 -1.882 -0.902 -1.867 1.00 62.04 H new ATOM 0 HB3 LEU A 6 -1.649 -2.365 -2.803 1.00 62.04 H new ATOM 0 HG LEU A 6 -3.686 -1.903 -0.606 1.00 41.51 H new ATOM 0 HD11 LEU A 6 -5.377 -2.256 -2.401 1.00 61.23 H new ATOM 0 HD12 LEU A 6 -4.327 -0.855 -2.722 1.00 61.23 H new ATOM 0 HD13 LEU A 6 -4.062 -2.385 -3.593 1.00 61.23 H new ATOM 0 HD21 LEU A 6 -4.569 -4.165 -1.076 1.00 25.01 H new ATOM 0 HD22 LEU A 6 -3.185 -4.464 -2.153 1.00 25.01 H new ATOM 0 HD23 LEU A 6 -2.918 -4.198 -0.414 1.00 25.01 H new ATOM 114 N ILE A 7 1.499 -2.774 -1.544 1.00 3.11 N ATOM 115 CA ILE A 7 2.855 -2.327 -1.913 1.00 62.52 C ATOM 116 C ILE A 7 3.097 -2.516 -3.426 1.00 70.11 C ATOM 117 O ILE A 7 3.076 -3.636 -3.927 1.00 52.23 O ATOM 118 CB ILE A 7 3.963 -3.069 -1.070 1.00 0.32 C ATOM 119 CG1 ILE A 7 5.379 -2.577 -1.497 1.00 63.33 C ATOM 120 CG2 ILE A 7 3.842 -4.613 -1.158 1.00 71.50 C ATOM 121 CD1 ILE A 7 6.520 -3.234 -0.758 1.00 22.22 C ATOM 0 H ILE A 7 1.368 -3.785 -1.573 1.00 3.11 H new ATOM 0 HA ILE A 7 2.927 -1.264 -1.681 1.00 62.52 H new ATOM 0 HB ILE A 7 3.808 -2.815 -0.021 1.00 0.32 H new ATOM 0 HG12 ILE A 7 5.505 -2.755 -2.565 1.00 63.33 H new ATOM 0 HG13 ILE A 7 5.437 -1.499 -1.344 1.00 63.33 H new ATOM 0 HG21 ILE A 7 4.628 -5.074 -0.560 1.00 71.50 H new ATOM 0 HG22 ILE A 7 2.868 -4.924 -0.779 1.00 71.50 H new ATOM 0 HG23 ILE A 7 3.944 -4.927 -2.197 1.00 71.50 H new ATOM 0 HD11 ILE A 7 7.467 -2.832 -1.119 1.00 22.22 H new ATOM 0 HD12 ILE A 7 6.425 -3.035 0.309 1.00 22.22 H new ATOM 0 HD13 ILE A 7 6.494 -4.310 -0.930 1.00 22.22 H new ATOM 133 N ILE A 8 3.300 -1.407 -4.158 1.00 23.32 N ATOM 134 CA ILE A 8 3.643 -1.460 -5.587 1.00 22.52 C ATOM 135 C ILE A 8 5.177 -1.444 -5.737 1.00 1.43 C ATOM 136 O ILE A 8 5.819 -0.385 -5.597 1.00 3.11 O ATOM 137 CB ILE A 8 3.004 -0.260 -6.383 1.00 22.31 C ATOM 138 CG1 ILE A 8 1.493 -0.107 -6.008 1.00 61.23 C ATOM 139 CG2 ILE A 8 3.192 -0.454 -7.911 1.00 35.13 C ATOM 140 CD1 ILE A 8 0.743 0.972 -6.757 1.00 73.12 C ATOM 0 H ILE A 8 3.232 -0.462 -3.781 1.00 23.32 H new ATOM 0 HA ILE A 8 3.237 -2.380 -6.007 1.00 22.52 H new ATOM 0 HB ILE A 8 3.516 0.660 -6.103 1.00 22.31 H new ATOM 0 HG12 ILE A 8 0.995 -1.060 -6.183 1.00 61.23 H new ATOM 0 HG13 ILE A 8 1.421 0.099 -4.940 1.00 61.23 H new ATOM 0 HG21 ILE A 8 2.744 0.386 -8.442 1.00 35.13 H new ATOM 0 HG22 ILE A 8 4.256 -0.504 -8.143 1.00 35.13 H new ATOM 0 HG23 ILE A 8 2.709 -1.380 -8.222 1.00 35.13 H new ATOM 0 HD11 ILE A 8 -0.294 0.994 -6.422 1.00 73.12 H new ATOM 0 HD12 ILE A 8 1.207 1.939 -6.563 1.00 73.12 H new ATOM 0 HD13 ILE A 8 0.775 0.762 -7.826 1.00 73.12 H new ATOM 152 N SER A 9 5.739 -2.632 -6.002 1.00 44.51 N ATOM 153 CA SER A 9 7.179 -2.837 -6.217 1.00 3.20 C ATOM 154 C SER A 9 7.392 -4.137 -7.004 1.00 2.30 C ATOM 155 O SER A 9 6.625 -5.092 -6.848 1.00 1.02 O ATOM 156 CB SER A 9 7.938 -2.921 -4.868 1.00 14.32 C ATOM 157 OG SER A 9 7.853 -1.715 -4.142 1.00 11.13 O ATOM 0 H SER A 9 5.196 -3.493 -6.074 1.00 44.51 H new ATOM 0 HA SER A 9 7.570 -1.988 -6.778 1.00 3.20 H new ATOM 0 HB2 SER A 9 7.527 -3.735 -4.270 1.00 14.32 H new ATOM 0 HB3 SER A 9 8.985 -3.160 -5.055 1.00 14.32 H new ATOM 0 HG SER A 9 8.178 -0.976 -4.697 1.00 11.13 H new ATOM 163 N ASN A 10 8.431 -4.154 -7.848 1.00 25.33 N ATOM 164 CA ASN A 10 8.904 -5.375 -8.546 1.00 4.43 C ATOM 165 C ASN A 10 10.189 -5.904 -7.878 1.00 41.25 C ATOM 166 O ASN A 10 10.565 -7.071 -8.067 1.00 63.44 O ATOM 167 CB ASN A 10 9.157 -5.081 -10.049 1.00 20.45 C ATOM 168 CG ASN A 10 7.886 -4.677 -10.809 1.00 4.00 C ATOM 169 OD1 ASN A 10 7.556 -3.498 -10.909 1.00 55.45 O ATOM 170 ND2 ASN A 10 7.158 -5.655 -11.333 1.00 62.51 N ATOM 0 H ASN A 10 8.976 -3.321 -8.073 1.00 25.33 H new ATOM 0 HA ASN A 10 8.130 -6.139 -8.472 1.00 4.43 H new ATOM 0 HB2 ASN A 10 9.894 -4.283 -10.137 1.00 20.45 H new ATOM 0 HB3 ASN A 10 9.587 -5.966 -10.518 1.00 20.45 H new ATOM 0 HD21 ASN A 10 6.298 -5.437 -11.836 1.00 62.51 H new ATOM 0 HD22 ASN A 10 7.459 -6.624 -11.233 1.00 62.51 H new ATOM 177 N ASP A 11 10.844 -5.038 -7.077 1.00 31.32 N ATOM 178 CA ASP A 11 12.136 -5.341 -6.430 1.00 73.44 C ATOM 179 C ASP A 11 11.910 -6.109 -5.108 1.00 52.33 C ATOM 180 O ASP A 11 11.456 -5.547 -4.096 1.00 70.12 O ATOM 181 CB ASP A 11 13.011 -4.052 -6.257 1.00 23.21 C ATOM 182 CG ASP A 11 12.385 -2.904 -5.448 1.00 24.14 C ATOM 183 OD1 ASP A 11 11.191 -2.590 -5.651 1.00 34.55 O ATOM 184 OD2 ASP A 11 13.114 -2.244 -4.675 1.00 22.14 O ATOM 0 H ASP A 11 10.490 -4.106 -6.861 1.00 31.32 H new ATOM 0 HA ASP A 11 12.710 -5.998 -7.083 1.00 73.44 H new ATOM 0 HB2 ASP A 11 13.948 -4.337 -5.778 1.00 23.21 H new ATOM 0 HB3 ASP A 11 13.262 -3.674 -7.248 1.00 23.21 H new ATOM 189 N LYS A 12 12.243 -7.425 -5.171 1.00 52.43 N ATOM 190 CA LYS A 12 11.900 -8.434 -4.147 1.00 1.34 C ATOM 191 C LYS A 12 12.340 -8.045 -2.728 1.00 43.14 C ATOM 192 O LYS A 12 11.612 -8.307 -1.773 1.00 25.13 O ATOM 193 CB LYS A 12 12.497 -9.828 -4.505 1.00 51.24 C ATOM 194 CG LYS A 12 12.035 -10.415 -5.854 1.00 34.34 C ATOM 195 CD LYS A 12 10.500 -10.563 -5.959 1.00 12.20 C ATOM 196 CE LYS A 12 10.062 -11.296 -7.238 1.00 21.21 C ATOM 197 NZ LYS A 12 10.553 -12.703 -7.265 1.00 13.02 N ATOM 0 H LYS A 12 12.768 -7.817 -5.953 1.00 52.43 H new ATOM 0 HA LYS A 12 10.811 -8.484 -4.149 1.00 1.34 H new ATOM 0 HB2 LYS A 12 13.584 -9.748 -4.515 1.00 51.24 H new ATOM 0 HB3 LYS A 12 12.237 -10.531 -3.713 1.00 51.24 H new ATOM 0 HG2 LYS A 12 12.388 -9.774 -6.662 1.00 34.34 H new ATOM 0 HG3 LYS A 12 12.498 -11.391 -5.996 1.00 34.34 H new ATOM 0 HD2 LYS A 12 10.131 -11.106 -5.089 1.00 12.20 H new ATOM 0 HD3 LYS A 12 10.041 -9.575 -5.936 1.00 12.20 H new ATOM 0 HE2 LYS A 12 8.974 -11.289 -7.306 1.00 21.21 H new ATOM 0 HE3 LYS A 12 10.440 -10.762 -8.110 1.00 21.21 H new ATOM 0 HZ1 LYS A 12 10.064 -13.227 -8.019 1.00 13.02 H new ATOM 0 HZ2 LYS A 12 11.577 -12.710 -7.447 1.00 13.02 H new ATOM 0 HZ3 LYS A 12 10.361 -13.155 -6.348 1.00 13.02 H new ATOM 211 N LYS A 13 13.519 -7.405 -2.603 1.00 31.24 N ATOM 212 CA LYS A 13 14.098 -7.067 -1.291 1.00 21.03 C ATOM 213 C LYS A 13 13.206 -6.054 -0.546 1.00 24.14 C ATOM 214 O LYS A 13 12.894 -6.247 0.625 1.00 64.21 O ATOM 215 CB LYS A 13 15.546 -6.522 -1.444 1.00 11.24 C ATOM 216 CG LYS A 13 16.525 -7.444 -2.217 1.00 33.34 C ATOM 217 CD LYS A 13 16.695 -8.844 -1.587 1.00 35.11 C ATOM 218 CE LYS A 13 17.283 -8.801 -0.162 1.00 43.14 C ATOM 219 NZ LYS A 13 18.620 -8.150 -0.118 1.00 33.54 N ATOM 0 H LYS A 13 14.089 -7.112 -3.397 1.00 31.24 H new ATOM 0 HA LYS A 13 14.145 -7.980 -0.698 1.00 21.03 H new ATOM 0 HB2 LYS A 13 15.502 -5.559 -1.953 1.00 11.24 H new ATOM 0 HB3 LYS A 13 15.954 -6.339 -0.450 1.00 11.24 H new ATOM 0 HG2 LYS A 13 16.169 -7.558 -3.241 1.00 33.34 H new ATOM 0 HG3 LYS A 13 17.500 -6.959 -2.270 1.00 33.34 H new ATOM 0 HD2 LYS A 13 15.726 -9.343 -1.559 1.00 35.11 H new ATOM 0 HD3 LYS A 13 17.344 -9.445 -2.223 1.00 35.11 H new ATOM 0 HE2 LYS A 13 16.599 -8.263 0.494 1.00 43.14 H new ATOM 0 HE3 LYS A 13 17.364 -9.817 0.225 1.00 43.14 H new ATOM 0 HZ1 LYS A 13 19.017 -8.236 0.840 1.00 33.54 H new ATOM 0 HZ2 LYS A 13 19.255 -8.614 -0.799 1.00 33.54 H new ATOM 0 HZ3 LYS A 13 18.525 -7.144 -0.364 1.00 33.54 H new ATOM 233 N LEU A 14 12.762 -4.998 -1.266 1.00 34.32 N ATOM 234 CA LEU A 14 11.885 -3.946 -0.698 1.00 72.31 C ATOM 235 C LEU A 14 10.496 -4.525 -0.353 1.00 75.20 C ATOM 236 O LEU A 14 9.916 -4.175 0.688 1.00 23.12 O ATOM 237 CB LEU A 14 11.771 -2.743 -1.686 1.00 62.21 C ATOM 238 CG LEU A 14 11.060 -1.427 -1.148 1.00 40.20 C ATOM 239 CD1 LEU A 14 11.676 -0.156 -1.749 1.00 45.31 C ATOM 240 CD2 LEU A 14 9.548 -1.423 -1.426 1.00 25.12 C ATOM 0 H LEU A 14 12.998 -4.851 -2.247 1.00 34.32 H new ATOM 0 HA LEU A 14 12.330 -3.580 0.227 1.00 72.31 H new ATOM 0 HB2 LEU A 14 12.777 -2.475 -2.010 1.00 62.21 H new ATOM 0 HB3 LEU A 14 11.231 -3.082 -2.570 1.00 62.21 H new ATOM 0 HG LEU A 14 11.220 -1.430 -0.070 1.00 40.20 H new ATOM 0 HD11 LEU A 14 11.161 0.720 -1.355 1.00 45.31 H new ATOM 0 HD12 LEU A 14 12.733 -0.104 -1.486 1.00 45.31 H new ATOM 0 HD13 LEU A 14 11.573 -0.180 -2.834 1.00 45.31 H new ATOM 0 HD21 LEU A 14 9.109 -0.503 -1.039 1.00 25.12 H new ATOM 0 HD22 LEU A 14 9.375 -1.483 -2.501 1.00 25.12 H new ATOM 0 HD23 LEU A 14 9.086 -2.280 -0.936 1.00 25.12 H new ATOM 252 N ILE A 15 9.989 -5.417 -1.237 1.00 21.50 N ATOM 253 CA ILE A 15 8.698 -6.118 -1.038 1.00 31.22 C ATOM 254 C ILE A 15 8.702 -6.899 0.300 1.00 5.02 C ATOM 255 O ILE A 15 7.773 -6.782 1.113 1.00 42.11 O ATOM 256 CB ILE A 15 8.386 -7.107 -2.233 1.00 52.40 C ATOM 257 CG1 ILE A 15 8.351 -6.358 -3.607 1.00 63.53 C ATOM 258 CG2 ILE A 15 7.060 -7.860 -1.999 1.00 4.22 C ATOM 259 CD1 ILE A 15 8.170 -7.260 -4.825 1.00 70.33 C ATOM 0 H ILE A 15 10.461 -5.670 -2.105 1.00 21.50 H new ATOM 0 HA ILE A 15 7.916 -5.359 -1.008 1.00 31.22 H new ATOM 0 HB ILE A 15 9.196 -7.835 -2.267 1.00 52.40 H new ATOM 0 HG12 ILE A 15 7.539 -5.631 -3.588 1.00 63.53 H new ATOM 0 HG13 ILE A 15 9.279 -5.797 -3.723 1.00 63.53 H new ATOM 0 HG21 ILE A 15 6.871 -8.532 -2.836 1.00 4.22 H new ATOM 0 HG22 ILE A 15 7.127 -8.438 -1.077 1.00 4.22 H new ATOM 0 HG23 ILE A 15 6.243 -7.142 -1.918 1.00 4.22 H new ATOM 0 HD11 ILE A 15 8.158 -6.652 -5.730 1.00 70.33 H new ATOM 0 HD12 ILE A 15 8.994 -7.971 -4.877 1.00 70.33 H new ATOM 0 HD13 ILE A 15 7.228 -7.802 -4.740 1.00 70.33 H new ATOM 271 N GLU A 16 9.786 -7.655 0.511 1.00 72.42 N ATOM 272 CA GLU A 16 9.968 -8.498 1.699 1.00 72.52 C ATOM 273 C GLU A 16 10.166 -7.660 2.967 1.00 54.01 C ATOM 274 O GLU A 16 9.537 -7.932 3.975 1.00 32.22 O ATOM 275 CB GLU A 16 11.149 -9.473 1.480 1.00 34.34 C ATOM 276 CG GLU A 16 10.898 -10.508 0.365 1.00 2.24 C ATOM 277 CD GLU A 16 9.733 -11.476 0.659 1.00 1.31 C ATOM 278 OE1 GLU A 16 8.563 -11.158 0.334 1.00 53.50 O ATOM 279 OE2 GLU A 16 9.979 -12.568 1.215 1.00 30.33 O ATOM 0 H GLU A 16 10.568 -7.699 -0.143 1.00 72.42 H new ATOM 0 HA GLU A 16 9.058 -9.079 1.845 1.00 72.52 H new ATOM 0 HB2 GLU A 16 12.043 -8.899 1.236 1.00 34.34 H new ATOM 0 HB3 GLU A 16 11.353 -9.999 2.413 1.00 34.34 H new ATOM 0 HG2 GLU A 16 10.693 -9.981 -0.567 1.00 2.24 H new ATOM 0 HG3 GLU A 16 11.808 -11.087 0.209 1.00 2.24 H new ATOM 286 N GLU A 17 11.013 -6.625 2.880 1.00 23.01 N ATOM 287 CA GLU A 17 11.295 -5.705 4.003 1.00 20.14 C ATOM 288 C GLU A 17 10.003 -5.085 4.576 1.00 24.44 C ATOM 289 O GLU A 17 9.764 -5.121 5.793 1.00 20.01 O ATOM 290 CB GLU A 17 12.265 -4.590 3.534 1.00 21.41 C ATOM 291 CG GLU A 17 13.741 -5.025 3.405 1.00 25.13 C ATOM 292 CD GLU A 17 14.432 -5.276 4.756 1.00 34.22 C ATOM 293 OE1 GLU A 17 14.811 -4.292 5.428 1.00 5.43 O ATOM 294 OE2 GLU A 17 14.589 -6.452 5.160 1.00 44.23 O ATOM 0 H GLU A 17 11.526 -6.397 2.028 1.00 23.01 H new ATOM 0 HA GLU A 17 11.760 -6.282 4.802 1.00 20.14 H new ATOM 0 HB2 GLU A 17 11.926 -4.216 2.568 1.00 21.41 H new ATOM 0 HB3 GLU A 17 12.206 -3.758 4.236 1.00 21.41 H new ATOM 0 HG2 GLU A 17 13.791 -5.935 2.807 1.00 25.13 H new ATOM 0 HG3 GLU A 17 14.291 -4.256 2.863 1.00 25.13 H new ATOM 301 N ALA A 18 9.172 -4.546 3.669 1.00 54.04 N ATOM 302 CA ALA A 18 7.888 -3.918 4.014 1.00 51.14 C ATOM 303 C ALA A 18 6.884 -4.955 4.561 1.00 42.41 C ATOM 304 O ALA A 18 6.131 -4.665 5.498 1.00 4.32 O ATOM 305 CB ALA A 18 7.324 -3.207 2.784 1.00 44.12 C ATOM 0 H ALA A 18 9.374 -4.534 2.669 1.00 54.04 H new ATOM 0 HA ALA A 18 8.057 -3.187 4.804 1.00 51.14 H new ATOM 0 HB1 ALA A 18 6.372 -2.741 3.038 1.00 44.12 H new ATOM 0 HB2 ALA A 18 8.026 -2.442 2.452 1.00 44.12 H new ATOM 0 HB3 ALA A 18 7.171 -3.931 1.983 1.00 44.12 H new ATOM 311 N ARG A 19 6.895 -6.170 3.969 1.00 1.42 N ATOM 312 CA ARG A 19 6.021 -7.283 4.403 1.00 3.23 C ATOM 313 C ARG A 19 6.341 -7.709 5.847 1.00 25.12 C ATOM 314 O ARG A 19 5.430 -7.858 6.662 1.00 2.14 O ATOM 315 CB ARG A 19 6.126 -8.504 3.445 1.00 31.23 C ATOM 316 CG ARG A 19 5.241 -9.708 3.859 1.00 65.05 C ATOM 317 CD ARG A 19 5.448 -10.947 2.968 1.00 15.05 C ATOM 318 NE ARG A 19 6.844 -11.431 2.967 1.00 35.02 N ATOM 319 CZ ARG A 19 7.435 -12.113 3.965 1.00 54.42 C ATOM 320 NH1 ARG A 19 6.782 -12.408 5.085 1.00 33.54 N ATOM 321 NH2 ARG A 19 8.696 -12.487 3.841 1.00 5.41 N ATOM 0 H ARG A 19 7.503 -6.406 3.185 1.00 1.42 H new ATOM 0 HA ARG A 19 4.995 -6.916 4.369 1.00 3.23 H new ATOM 0 HB2 ARG A 19 5.846 -8.189 2.440 1.00 31.23 H new ATOM 0 HB3 ARG A 19 7.165 -8.829 3.400 1.00 31.23 H new ATOM 0 HG2 ARG A 19 5.459 -9.972 4.894 1.00 65.05 H new ATOM 0 HG3 ARG A 19 4.193 -9.411 3.820 1.00 65.05 H new ATOM 0 HD2 ARG A 19 4.792 -11.747 3.310 1.00 15.05 H new ATOM 0 HD3 ARG A 19 5.152 -10.707 1.947 1.00 15.05 H new ATOM 0 HE ARG A 19 7.407 -11.231 2.140 1.00 35.02 H new ATOM 0 HH11 ARG A 19 5.812 -12.116 5.202 1.00 33.54 H new ATOM 0 HH12 ARG A 19 7.251 -12.926 5.828 1.00 33.54 H new ATOM 0 HH21 ARG A 19 9.215 -12.258 2.993 1.00 5.41 H new ATOM 0 HH22 ARG A 19 9.151 -13.004 4.593 1.00 5.41 H new ATOM 335 N LYS A 20 7.647 -7.831 6.163 1.00 61.45 N ATOM 336 CA LYS A 20 8.114 -8.256 7.495 1.00 2.24 C ATOM 337 C LYS A 20 7.683 -7.236 8.560 1.00 54.44 C ATOM 338 O LYS A 20 7.311 -7.602 9.686 1.00 22.02 O ATOM 339 CB LYS A 20 9.660 -8.425 7.538 1.00 71.24 C ATOM 340 CG LYS A 20 10.269 -9.492 6.592 1.00 65.21 C ATOM 341 CD LYS A 20 9.608 -10.887 6.673 1.00 54.12 C ATOM 342 CE LYS A 20 9.634 -11.510 8.082 1.00 74.12 C ATOM 343 NZ LYS A 20 11.005 -11.703 8.620 1.00 11.43 N ATOM 0 H LYS A 20 8.402 -7.638 5.505 1.00 61.45 H new ATOM 0 HA LYS A 20 7.659 -9.224 7.705 1.00 2.24 H new ATOM 0 HB2 LYS A 20 10.114 -7.462 7.303 1.00 71.24 H new ATOM 0 HB3 LYS A 20 9.947 -8.672 8.560 1.00 71.24 H new ATOM 0 HG2 LYS A 20 10.197 -9.131 5.566 1.00 65.21 H new ATOM 0 HG3 LYS A 20 11.330 -9.595 6.819 1.00 65.21 H new ATOM 0 HD2 LYS A 20 8.573 -10.807 6.341 1.00 54.12 H new ATOM 0 HD3 LYS A 20 10.114 -11.559 5.980 1.00 54.12 H new ATOM 0 HE2 LYS A 20 9.072 -10.871 8.763 1.00 74.12 H new ATOM 0 HE3 LYS A 20 9.124 -12.473 8.054 1.00 74.12 H new ATOM 0 HZ1 LYS A 20 10.949 -12.125 9.569 1.00 11.43 H new ATOM 0 HZ2 LYS A 20 11.539 -12.336 7.991 1.00 11.43 H new ATOM 0 HZ3 LYS A 20 11.488 -10.784 8.678 1.00 11.43 H new ATOM 357 N MET A 21 7.718 -5.952 8.161 1.00 70.44 N ATOM 358 CA MET A 21 7.302 -4.846 9.015 1.00 40.20 C ATOM 359 C MET A 21 5.787 -4.883 9.268 1.00 62.11 C ATOM 360 O MET A 21 5.341 -4.637 10.379 1.00 53.40 O ATOM 361 CB MET A 21 7.699 -3.500 8.380 1.00 72.51 C ATOM 362 CG MET A 21 7.404 -2.248 9.233 1.00 4.14 C ATOM 363 SD MET A 21 8.530 -2.002 10.632 1.00 11.21 S ATOM 364 CE MET A 21 7.869 -3.074 11.903 1.00 21.11 C ATOM 0 H MET A 21 8.037 -5.661 7.237 1.00 70.44 H new ATOM 0 HA MET A 21 7.811 -4.951 9.973 1.00 40.20 H new ATOM 0 HB2 MET A 21 8.766 -3.524 8.159 1.00 72.51 H new ATOM 0 HB3 MET A 21 7.178 -3.400 7.428 1.00 72.51 H new ATOM 0 HG2 MET A 21 7.447 -1.369 8.590 1.00 4.14 H new ATOM 0 HG3 MET A 21 6.384 -2.316 9.612 1.00 4.14 H new ATOM 0 HE1 MET A 21 8.134 -2.681 12.885 1.00 21.11 H new ATOM 0 HE2 MET A 21 6.784 -3.120 11.812 1.00 21.11 H new ATOM 0 HE3 MET A 21 8.286 -4.075 11.788 1.00 21.11 H new ATOM 374 N ALA A 22 5.014 -5.199 8.213 1.00 12.24 N ATOM 375 CA ALA A 22 3.540 -5.285 8.281 1.00 42.11 C ATOM 376 C ALA A 22 3.078 -6.395 9.243 1.00 22.24 C ATOM 377 O ALA A 22 2.091 -6.224 9.968 1.00 43.31 O ATOM 378 CB ALA A 22 2.960 -5.494 6.880 1.00 24.33 C ATOM 0 H ALA A 22 5.392 -5.402 7.288 1.00 12.24 H new ATOM 0 HA ALA A 22 3.164 -4.342 8.678 1.00 42.11 H new ATOM 0 HB1 ALA A 22 1.874 -5.556 6.942 1.00 24.33 H new ATOM 0 HB2 ALA A 22 3.240 -4.656 6.242 1.00 24.33 H new ATOM 0 HB3 ALA A 22 3.353 -6.419 6.458 1.00 24.33 H new ATOM 384 N GLU A 23 3.831 -7.510 9.257 1.00 62.01 N ATOM 385 CA GLU A 23 3.553 -8.672 10.126 1.00 32.43 C ATOM 386 C GLU A 23 3.766 -8.326 11.616 1.00 74.50 C ATOM 387 O GLU A 23 3.036 -8.811 12.488 1.00 70.52 O ATOM 388 CB GLU A 23 4.434 -9.868 9.681 1.00 43.45 C ATOM 389 CG GLU A 23 4.163 -10.325 8.228 1.00 14.34 C ATOM 390 CD GLU A 23 5.136 -11.407 7.741 1.00 71.30 C ATOM 391 OE1 GLU A 23 6.337 -11.123 7.609 1.00 42.25 O ATOM 392 OE2 GLU A 23 4.702 -12.540 7.477 1.00 61.01 O ATOM 0 H GLU A 23 4.652 -7.632 8.665 1.00 62.01 H new ATOM 0 HA GLU A 23 2.505 -8.952 10.021 1.00 32.43 H new ATOM 0 HB2 GLU A 23 5.484 -9.592 9.777 1.00 43.45 H new ATOM 0 HB3 GLU A 23 4.262 -10.707 10.356 1.00 43.45 H new ATOM 0 HG2 GLU A 23 3.144 -10.705 8.158 1.00 14.34 H new ATOM 0 HG3 GLU A 23 4.228 -9.462 7.565 1.00 14.34 H new ATOM 399 N LYS A 24 4.759 -7.461 11.887 1.00 24.43 N ATOM 400 CA LYS A 24 5.014 -6.923 13.242 1.00 32.21 C ATOM 401 C LYS A 24 3.943 -5.872 13.614 1.00 13.53 C ATOM 402 O LYS A 24 3.380 -5.902 14.708 1.00 13.54 O ATOM 403 CB LYS A 24 6.422 -6.283 13.320 1.00 44.42 C ATOM 404 CG LYS A 24 7.603 -7.269 13.155 1.00 1.20 C ATOM 405 CD LYS A 24 8.958 -6.569 13.394 1.00 1.41 C ATOM 406 CE LYS A 24 10.145 -7.538 13.413 1.00 75.30 C ATOM 407 NZ LYS A 24 11.401 -6.837 13.792 1.00 50.13 N ATOM 0 H LYS A 24 5.407 -7.114 11.179 1.00 24.43 H new ATOM 0 HA LYS A 24 4.964 -7.750 13.950 1.00 32.21 H new ATOM 0 HB2 LYS A 24 6.499 -5.517 12.549 1.00 44.42 H new ATOM 0 HB3 LYS A 24 6.522 -5.779 14.281 1.00 44.42 H new ATOM 0 HG2 LYS A 24 7.490 -8.095 13.857 1.00 1.20 H new ATOM 0 HG3 LYS A 24 7.584 -7.697 12.153 1.00 1.20 H new ATOM 0 HD2 LYS A 24 9.118 -5.825 12.614 1.00 1.41 H new ATOM 0 HD3 LYS A 24 8.920 -6.033 14.342 1.00 1.41 H new ATOM 0 HE2 LYS A 24 9.948 -8.345 14.118 1.00 75.30 H new ATOM 0 HE3 LYS A 24 10.262 -7.995 12.430 1.00 75.30 H new ATOM 0 HZ1 LYS A 24 12.189 -7.515 13.797 1.00 50.13 H new ATOM 0 HZ2 LYS A 24 11.598 -6.082 13.104 1.00 50.13 H new ATOM 0 HZ3 LYS A 24 11.295 -6.422 14.740 1.00 50.13 H new ATOM 421 N ALA A 25 3.655 -4.969 12.658 1.00 2.35 N ATOM 422 CA ALA A 25 2.721 -3.833 12.831 1.00 13.50 C ATOM 423 C ALA A 25 1.243 -4.272 12.797 1.00 64.20 C ATOM 424 O ALA A 25 0.346 -3.430 12.912 1.00 13.41 O ATOM 425 CB ALA A 25 3.008 -2.778 11.747 1.00 61.13 C ATOM 0 H ALA A 25 4.070 -5.006 11.727 1.00 2.35 H new ATOM 0 HA ALA A 25 2.887 -3.403 13.819 1.00 13.50 H new ATOM 0 HB1 ALA A 25 2.324 -1.938 11.867 1.00 61.13 H new ATOM 0 HB2 ALA A 25 4.035 -2.427 11.844 1.00 61.13 H new ATOM 0 HB3 ALA A 25 2.868 -3.222 10.761 1.00 61.13 H new ATOM 431 N ASN A 26 1.014 -5.591 12.613 1.00 42.35 N ATOM 432 CA ASN A 26 -0.320 -6.242 12.676 1.00 51.24 C ATOM 433 C ASN A 26 -1.211 -5.869 11.467 1.00 1.04 C ATOM 434 O ASN A 26 -2.399 -6.214 11.430 1.00 34.45 O ATOM 435 CB ASN A 26 -1.044 -5.961 14.034 1.00 4.42 C ATOM 436 CG ASN A 26 -0.276 -6.501 15.247 1.00 71.34 C ATOM 437 OD1 ASN A 26 -0.476 -7.644 15.662 1.00 1.31 O ATOM 438 ND2 ASN A 26 0.608 -5.686 15.820 1.00 51.32 N ATOM 0 H ASN A 26 1.766 -6.250 12.412 1.00 42.35 H new ATOM 0 HA ASN A 26 -0.144 -7.316 12.620 1.00 51.24 H new ATOM 0 HB2 ASN A 26 -1.184 -4.886 14.149 1.00 4.42 H new ATOM 0 HB3 ASN A 26 -2.037 -6.411 14.010 1.00 4.42 H new ATOM 0 HD21 ASN A 26 1.144 -6.002 16.628 1.00 51.32 H new ATOM 0 HD22 ASN A 26 0.749 -4.746 15.451 1.00 51.32 H new ATOM 445 N LEU A 27 -0.611 -5.210 10.460 1.00 31.30 N ATOM 446 CA LEU A 27 -1.308 -4.782 9.237 1.00 54.01 C ATOM 447 C LEU A 27 -1.208 -5.873 8.162 1.00 53.12 C ATOM 448 O LEU A 27 -0.151 -6.510 8.016 1.00 71.21 O ATOM 449 CB LEU A 27 -0.687 -3.464 8.710 1.00 52.41 C ATOM 450 CG LEU A 27 -0.705 -2.255 9.694 1.00 51.12 C ATOM 451 CD1 LEU A 27 0.009 -1.033 9.084 1.00 34.00 C ATOM 452 CD2 LEU A 27 -2.140 -1.905 10.133 1.00 12.13 C ATOM 0 H LEU A 27 0.377 -4.958 10.473 1.00 31.30 H new ATOM 0 HA LEU A 27 -2.359 -4.613 9.471 1.00 54.01 H new ATOM 0 HB2 LEU A 27 0.347 -3.661 8.428 1.00 52.41 H new ATOM 0 HB3 LEU A 27 -1.216 -3.175 7.802 1.00 52.41 H new ATOM 0 HG LEU A 27 -0.155 -2.550 10.588 1.00 51.12 H new ATOM 0 HD11 LEU A 27 -0.019 -0.205 9.792 1.00 34.00 H new ATOM 0 HD12 LEU A 27 1.046 -1.289 8.865 1.00 34.00 H new ATOM 0 HD13 LEU A 27 -0.494 -0.740 8.163 1.00 34.00 H new ATOM 0 HD21 LEU A 27 -2.114 -1.058 10.818 1.00 12.13 H new ATOM 0 HD22 LEU A 27 -2.735 -1.646 9.258 1.00 12.13 H new ATOM 0 HD23 LEU A 27 -2.587 -2.764 10.634 1.00 12.13 H new ATOM 464 N GLU A 28 -2.295 -6.079 7.400 1.00 33.35 N ATOM 465 CA GLU A 28 -2.313 -7.085 6.328 1.00 54.40 C ATOM 466 C GLU A 28 -1.795 -6.423 5.033 1.00 42.44 C ATOM 467 O GLU A 28 -2.284 -5.364 4.637 1.00 25.40 O ATOM 468 CB GLU A 28 -3.744 -7.692 6.165 1.00 15.30 C ATOM 469 CG GLU A 28 -3.772 -9.165 5.691 1.00 34.42 C ATOM 470 CD GLU A 28 -3.079 -9.408 4.340 1.00 73.41 C ATOM 471 OE1 GLU A 28 -3.667 -9.047 3.300 1.00 31.24 O ATOM 472 OE2 GLU A 28 -1.940 -9.943 4.322 1.00 41.23 O ATOM 0 H GLU A 28 -3.169 -5.564 7.507 1.00 33.35 H new ATOM 0 HA GLU A 28 -1.658 -7.921 6.575 1.00 54.40 H new ATOM 0 HB2 GLU A 28 -4.264 -7.622 7.120 1.00 15.30 H new ATOM 0 HB3 GLU A 28 -4.302 -7.085 5.453 1.00 15.30 H new ATOM 0 HG2 GLU A 28 -3.295 -9.787 6.448 1.00 34.42 H new ATOM 0 HG3 GLU A 28 -4.809 -9.491 5.618 1.00 34.42 H new ATOM 479 N LEU A 29 -0.810 -7.070 4.391 1.00 51.32 N ATOM 480 CA LEU A 29 -0.097 -6.527 3.226 1.00 2.00 C ATOM 481 C LEU A 29 -0.331 -7.436 2.015 1.00 61.22 C ATOM 482 O LEU A 29 -0.154 -8.655 2.099 1.00 13.40 O ATOM 483 CB LEU A 29 1.421 -6.369 3.549 1.00 35.24 C ATOM 484 CG LEU A 29 2.353 -5.825 2.384 1.00 71.14 C ATOM 485 CD1 LEU A 29 3.457 -4.886 2.925 1.00 22.52 C ATOM 486 CD2 LEU A 29 2.997 -6.976 1.572 1.00 32.42 C ATOM 0 H LEU A 29 -0.483 -7.995 4.670 1.00 51.32 H new ATOM 0 HA LEU A 29 -0.483 -5.536 2.985 1.00 2.00 H new ATOM 0 HB2 LEU A 29 1.518 -5.697 4.402 1.00 35.24 H new ATOM 0 HB3 LEU A 29 1.803 -7.340 3.863 1.00 35.24 H new ATOM 0 HG LEU A 29 1.706 -5.254 1.718 1.00 71.14 H new ATOM 0 HD11 LEU A 29 4.074 -4.535 2.098 1.00 22.52 H new ATOM 0 HD12 LEU A 29 2.997 -4.032 3.423 1.00 22.52 H new ATOM 0 HD13 LEU A 29 4.079 -5.428 3.637 1.00 22.52 H new ATOM 0 HD21 LEU A 29 3.626 -6.559 0.786 1.00 32.42 H new ATOM 0 HD22 LEU A 29 3.605 -7.593 2.234 1.00 32.42 H new ATOM 0 HD23 LEU A 29 2.214 -7.588 1.124 1.00 32.42 H new ATOM 498 N ARG A 30 -0.720 -6.814 0.896 1.00 21.05 N ATOM 499 CA ARG A 30 -0.882 -7.465 -0.405 1.00 33.12 C ATOM 500 C ARG A 30 0.154 -6.865 -1.365 1.00 55.34 C ATOM 501 O ARG A 30 0.422 -5.658 -1.310 1.00 41.32 O ATOM 502 CB ARG A 30 -2.311 -7.240 -0.969 1.00 33.53 C ATOM 503 CG ARG A 30 -3.480 -7.901 -0.207 1.00 43.24 C ATOM 504 CD ARG A 30 -3.414 -9.442 -0.190 1.00 63.12 C ATOM 505 NE ARG A 30 -2.491 -9.926 0.838 1.00 2.10 N ATOM 506 CZ ARG A 30 -1.902 -11.129 0.874 1.00 64.14 C ATOM 507 NH1 ARG A 30 -2.113 -12.044 -0.082 1.00 24.25 N ATOM 508 NH2 ARG A 30 -1.115 -11.424 1.894 1.00 72.12 N ATOM 0 H ARG A 30 -0.936 -5.817 0.872 1.00 21.05 H new ATOM 0 HA ARG A 30 -0.735 -8.539 -0.295 1.00 33.12 H new ATOM 0 HB2 ARG A 30 -2.495 -6.166 -1.005 1.00 33.53 H new ATOM 0 HB3 ARG A 30 -2.330 -7.602 -1.997 1.00 33.53 H new ATOM 0 HG2 ARG A 30 -3.487 -7.535 0.820 1.00 43.24 H new ATOM 0 HG3 ARG A 30 -4.421 -7.591 -0.662 1.00 43.24 H new ATOM 0 HD2 ARG A 30 -4.409 -9.848 -0.008 1.00 63.12 H new ATOM 0 HD3 ARG A 30 -3.095 -9.805 -1.167 1.00 63.12 H new ATOM 0 HE ARG A 30 -2.275 -9.285 1.601 1.00 2.10 H new ATOM 0 HH11 ARG A 30 -2.735 -11.832 -0.862 1.00 24.25 H new ATOM 0 HH12 ARG A 30 -1.651 -12.952 -0.030 1.00 24.25 H new ATOM 0 HH21 ARG A 30 -0.965 -10.741 2.636 1.00 72.12 H new ATOM 0 HH22 ARG A 30 -0.658 -12.335 1.939 1.00 72.12 H new ATOM 522 N THR A 31 0.722 -7.702 -2.238 1.00 51.41 N ATOM 523 CA THR A 31 1.752 -7.278 -3.195 1.00 33.45 C ATOM 524 C THR A 31 1.115 -6.893 -4.541 1.00 33.42 C ATOM 525 O THR A 31 0.215 -7.587 -5.034 1.00 64.54 O ATOM 526 CB THR A 31 2.810 -8.409 -3.384 1.00 14.44 C ATOM 527 OG1 THR A 31 2.172 -9.603 -3.879 1.00 34.14 O ATOM 528 CG2 THR A 31 3.527 -8.729 -2.055 1.00 14.35 C ATOM 0 H THR A 31 0.482 -8.691 -2.302 1.00 51.41 H new ATOM 0 HA THR A 31 2.257 -6.397 -2.797 1.00 33.45 H new ATOM 0 HB THR A 31 3.550 -8.059 -4.104 1.00 14.44 H new ATOM 0 HG1 THR A 31 2.843 -10.308 -3.997 1.00 34.14 H new ATOM 0 HG21 THR A 31 4.258 -9.521 -2.218 1.00 14.35 H new ATOM 0 HG22 THR A 31 4.034 -7.836 -1.691 1.00 14.35 H new ATOM 0 HG23 THR A 31 2.795 -9.057 -1.317 1.00 14.35 H new ATOM 536 N VAL A 32 1.554 -5.754 -5.092 1.00 71.22 N ATOM 537 CA VAL A 32 1.108 -5.220 -6.383 1.00 25.30 C ATOM 538 C VAL A 32 2.319 -5.128 -7.337 1.00 41.10 C ATOM 539 O VAL A 32 3.394 -4.657 -6.939 1.00 1.34 O ATOM 540 CB VAL A 32 0.477 -3.787 -6.187 1.00 45.12 C ATOM 541 CG1 VAL A 32 0.002 -3.176 -7.521 1.00 43.45 C ATOM 542 CG2 VAL A 32 -0.660 -3.810 -5.134 1.00 24.22 C ATOM 0 H VAL A 32 2.250 -5.162 -4.638 1.00 71.22 H new ATOM 0 HA VAL A 32 0.353 -5.882 -6.807 1.00 25.30 H new ATOM 0 HB VAL A 32 1.266 -3.139 -5.806 1.00 45.12 H new ATOM 0 HG11 VAL A 32 -0.425 -2.190 -7.338 1.00 43.45 H new ATOM 0 HG12 VAL A 32 0.849 -3.084 -8.201 1.00 43.45 H new ATOM 0 HG13 VAL A 32 -0.754 -3.822 -7.968 1.00 43.45 H new ATOM 0 HG21 VAL A 32 -1.073 -2.808 -5.023 1.00 24.22 H new ATOM 0 HG22 VAL A 32 -1.445 -4.492 -5.461 1.00 24.22 H new ATOM 0 HG23 VAL A 32 -0.262 -4.147 -4.177 1.00 24.22 H new ATOM 552 N LYS A 33 2.140 -5.602 -8.584 1.00 73.24 N ATOM 553 CA LYS A 33 3.133 -5.440 -9.663 1.00 31.42 C ATOM 554 C LYS A 33 2.581 -4.441 -10.693 1.00 24.20 C ATOM 555 O LYS A 33 3.133 -3.353 -10.877 1.00 54.12 O ATOM 556 CB LYS A 33 3.446 -6.817 -10.321 1.00 74.54 C ATOM 557 CG LYS A 33 4.076 -7.848 -9.357 1.00 23.42 C ATOM 558 CD LYS A 33 5.477 -7.425 -8.874 1.00 51.41 C ATOM 559 CE LYS A 33 6.042 -8.351 -7.787 1.00 73.12 C ATOM 560 NZ LYS A 33 6.042 -9.782 -8.204 1.00 30.22 N ATOM 0 H LYS A 33 1.303 -6.108 -8.872 1.00 73.24 H new ATOM 0 HA LYS A 33 4.068 -5.053 -9.257 1.00 31.42 H new ATOM 0 HB2 LYS A 33 2.523 -7.232 -10.727 1.00 74.54 H new ATOM 0 HB3 LYS A 33 4.122 -6.661 -11.161 1.00 74.54 H new ATOM 0 HG2 LYS A 33 3.423 -7.981 -8.495 1.00 23.42 H new ATOM 0 HG3 LYS A 33 4.144 -8.814 -9.857 1.00 23.42 H new ATOM 0 HD2 LYS A 33 6.160 -7.412 -9.724 1.00 51.41 H new ATOM 0 HD3 LYS A 33 5.430 -6.407 -8.488 1.00 51.41 H new ATOM 0 HE2 LYS A 33 7.060 -8.045 -7.546 1.00 73.12 H new ATOM 0 HE3 LYS A 33 5.453 -8.240 -6.877 1.00 73.12 H new ATOM 0 HZ1 LYS A 33 6.539 -10.352 -7.490 1.00 30.22 H new ATOM 0 HZ2 LYS A 33 5.062 -10.117 -8.294 1.00 30.22 H new ATOM 0 HZ3 LYS A 33 6.526 -9.877 -9.120 1.00 30.22 H new ATOM 574 N THR A 34 1.455 -4.818 -11.334 1.00 43.31 N ATOM 575 CA THR A 34 0.751 -3.965 -12.311 1.00 42.15 C ATOM 576 C THR A 34 -0.481 -3.325 -11.648 1.00 30.01 C ATOM 577 O THR A 34 -0.927 -3.783 -10.589 1.00 24.43 O ATOM 578 CB THR A 34 0.308 -4.788 -13.568 1.00 33.14 C ATOM 579 OG1 THR A 34 -0.495 -5.916 -13.162 1.00 71.55 O ATOM 580 CG2 THR A 34 1.518 -5.282 -14.380 1.00 61.30 C ATOM 0 H THR A 34 1.009 -5.724 -11.188 1.00 43.31 H new ATOM 0 HA THR A 34 1.438 -3.186 -12.640 1.00 42.15 H new ATOM 0 HB THR A 34 -0.279 -4.127 -14.205 1.00 33.14 H new ATOM 0 HG1 THR A 34 -0.769 -6.424 -13.954 1.00 71.55 H new ATOM 0 HG21 THR A 34 1.170 -5.849 -15.244 1.00 61.30 H new ATOM 0 HG22 THR A 34 2.103 -4.427 -14.719 1.00 61.30 H new ATOM 0 HG23 THR A 34 2.140 -5.921 -13.754 1.00 61.30 H new ATOM 588 N GLU A 35 -1.035 -2.266 -12.285 1.00 32.24 N ATOM 589 CA GLU A 35 -2.214 -1.543 -11.759 1.00 13.05 C ATOM 590 C GLU A 35 -3.445 -2.469 -11.664 1.00 1.22 C ATOM 591 O GLU A 35 -4.335 -2.232 -10.857 1.00 62.32 O ATOM 592 CB GLU A 35 -2.538 -0.292 -12.623 1.00 61.12 C ATOM 593 CG GLU A 35 -3.006 -0.598 -14.060 1.00 64.13 C ATOM 594 CD GLU A 35 -3.511 0.644 -14.809 1.00 33.10 C ATOM 595 OE1 GLU A 35 -4.687 1.036 -14.606 1.00 2.34 O ATOM 596 OE2 GLU A 35 -2.746 1.240 -15.593 1.00 10.13 O ATOM 0 H GLU A 35 -0.682 -1.894 -13.166 1.00 32.24 H new ATOM 0 HA GLU A 35 -1.966 -1.207 -10.752 1.00 13.05 H new ATOM 0 HB2 GLU A 35 -3.312 0.288 -12.120 1.00 61.12 H new ATOM 0 HB3 GLU A 35 -1.649 0.337 -12.672 1.00 61.12 H new ATOM 0 HG2 GLU A 35 -2.180 -1.040 -14.618 1.00 64.13 H new ATOM 0 HG3 GLU A 35 -3.802 -1.342 -14.025 1.00 64.13 H new ATOM 603 N ASP A 36 -3.437 -3.550 -12.467 1.00 73.21 N ATOM 604 CA ASP A 36 -4.483 -4.595 -12.477 1.00 22.10 C ATOM 605 C ASP A 36 -4.631 -5.238 -11.085 1.00 34.22 C ATOM 606 O ASP A 36 -5.737 -5.572 -10.651 1.00 72.25 O ATOM 607 CB ASP A 36 -4.126 -5.688 -13.521 1.00 74.12 C ATOM 608 CG ASP A 36 -3.878 -5.129 -14.935 1.00 1.33 C ATOM 609 OD1 ASP A 36 -4.838 -5.005 -15.725 1.00 53.32 O ATOM 610 OD2 ASP A 36 -2.713 -4.799 -15.260 1.00 31.32 O ATOM 0 H ASP A 36 -2.691 -3.726 -13.140 1.00 73.21 H new ATOM 0 HA ASP A 36 -5.431 -4.128 -12.745 1.00 22.10 H new ATOM 0 HB2 ASP A 36 -3.235 -6.220 -13.188 1.00 74.12 H new ATOM 0 HB3 ASP A 36 -4.935 -6.417 -13.564 1.00 74.12 H new ATOM 615 N GLU A 37 -3.484 -5.383 -10.402 1.00 63.13 N ATOM 616 CA GLU A 37 -3.410 -5.904 -9.033 1.00 71.32 C ATOM 617 C GLU A 37 -3.983 -4.884 -8.033 1.00 40.53 C ATOM 618 O GLU A 37 -4.837 -5.220 -7.212 1.00 3.51 O ATOM 619 CB GLU A 37 -1.939 -6.233 -8.674 1.00 61.30 C ATOM 620 CG GLU A 37 -1.236 -7.190 -9.654 1.00 1.02 C ATOM 621 CD GLU A 37 -1.836 -8.604 -9.667 1.00 12.21 C ATOM 622 OE1 GLU A 37 -1.519 -9.401 -8.754 1.00 42.22 O ATOM 623 OE2 GLU A 37 -2.639 -8.932 -10.569 1.00 10.23 O ATOM 0 H GLU A 37 -2.574 -5.138 -10.792 1.00 63.13 H new ATOM 0 HA GLU A 37 -4.005 -6.815 -8.974 1.00 71.32 H new ATOM 0 HB2 GLU A 37 -1.374 -5.302 -8.628 1.00 61.30 H new ATOM 0 HB3 GLU A 37 -1.912 -6.672 -7.677 1.00 61.30 H new ATOM 0 HG2 GLU A 37 -1.290 -6.772 -10.659 1.00 1.02 H new ATOM 0 HG3 GLU A 37 -0.180 -7.254 -9.392 1.00 1.02 H new ATOM 630 N LEU A 38 -3.526 -3.623 -8.168 1.00 44.44 N ATOM 631 CA LEU A 38 -3.880 -2.504 -7.267 1.00 71.44 C ATOM 632 C LEU A 38 -5.418 -2.337 -7.228 1.00 55.22 C ATOM 633 O LEU A 38 -6.039 -2.328 -6.160 1.00 74.25 O ATOM 634 CB LEU A 38 -3.151 -1.202 -7.774 1.00 63.12 C ATOM 635 CG LEU A 38 -3.008 0.021 -6.789 1.00 75.11 C ATOM 636 CD1 LEU A 38 -4.316 0.821 -6.613 1.00 51.42 C ATOM 637 CD2 LEU A 38 -2.438 -0.423 -5.425 1.00 35.14 C ATOM 0 H LEU A 38 -2.891 -3.348 -8.917 1.00 44.44 H new ATOM 0 HA LEU A 38 -3.551 -2.704 -6.247 1.00 71.44 H new ATOM 0 HB2 LEU A 38 -2.149 -1.488 -8.093 1.00 63.12 H new ATOM 0 HB3 LEU A 38 -3.680 -0.852 -8.661 1.00 63.12 H new ATOM 0 HG LEU A 38 -2.297 0.702 -7.256 1.00 75.11 H new ATOM 0 HD11 LEU A 38 -4.147 1.648 -5.923 1.00 51.42 H new ATOM 0 HD12 LEU A 38 -4.635 1.214 -7.578 1.00 51.42 H new ATOM 0 HD13 LEU A 38 -5.091 0.167 -6.213 1.00 51.42 H new ATOM 0 HD21 LEU A 38 -2.351 0.442 -4.768 1.00 35.14 H new ATOM 0 HD22 LEU A 38 -3.106 -1.156 -4.973 1.00 35.14 H new ATOM 0 HD23 LEU A 38 -1.454 -0.869 -5.570 1.00 35.14 H new ATOM 649 N LYS A 39 -6.001 -2.295 -8.428 1.00 23.45 N ATOM 650 CA LYS A 39 -7.435 -2.068 -8.651 1.00 45.44 C ATOM 651 C LYS A 39 -8.298 -3.277 -8.235 1.00 61.24 C ATOM 652 O LYS A 39 -9.387 -3.083 -7.699 1.00 23.15 O ATOM 653 CB LYS A 39 -7.646 -1.702 -10.141 1.00 33.41 C ATOM 654 CG LYS A 39 -6.909 -0.401 -10.550 1.00 30.11 C ATOM 655 CD LYS A 39 -6.631 -0.289 -12.069 1.00 3.04 C ATOM 656 CE LYS A 39 -7.882 -0.087 -12.923 1.00 51.45 C ATOM 657 NZ LYS A 39 -7.526 0.025 -14.363 1.00 2.00 N ATOM 0 H LYS A 39 -5.478 -2.421 -9.295 1.00 23.45 H new ATOM 0 HA LYS A 39 -7.764 -1.245 -8.017 1.00 45.44 H new ATOM 0 HB2 LYS A 39 -7.296 -2.524 -10.765 1.00 33.41 H new ATOM 0 HB3 LYS A 39 -8.712 -1.586 -10.335 1.00 33.41 H new ATOM 0 HG2 LYS A 39 -7.504 0.456 -10.235 1.00 30.11 H new ATOM 0 HG3 LYS A 39 -5.962 -0.347 -10.012 1.00 30.11 H new ATOM 0 HD2 LYS A 39 -5.949 0.544 -12.241 1.00 3.04 H new ATOM 0 HD3 LYS A 39 -6.121 -1.193 -12.401 1.00 3.04 H new ATOM 0 HE2 LYS A 39 -8.566 -0.923 -12.777 1.00 51.45 H new ATOM 0 HE3 LYS A 39 -8.405 0.814 -12.602 1.00 51.45 H new ATOM 0 HZ1 LYS A 39 -8.167 0.699 -14.828 1.00 2.00 H new ATOM 0 HZ2 LYS A 39 -6.546 0.361 -14.453 1.00 2.00 H new ATOM 0 HZ3 LYS A 39 -7.615 -0.907 -14.816 1.00 2.00 H new ATOM 671 N LYS A 40 -7.812 -4.516 -8.483 1.00 64.50 N ATOM 672 CA LYS A 40 -8.563 -5.742 -8.102 1.00 23.20 C ATOM 673 C LYS A 40 -8.689 -5.851 -6.571 1.00 11.35 C ATOM 674 O LYS A 40 -9.695 -6.359 -6.052 1.00 3.40 O ATOM 675 CB LYS A 40 -7.937 -7.040 -8.716 1.00 4.23 C ATOM 676 CG LYS A 40 -6.746 -7.644 -7.939 1.00 44.52 C ATOM 677 CD LYS A 40 -6.093 -8.852 -8.649 1.00 32.12 C ATOM 678 CE LYS A 40 -4.993 -9.507 -7.794 1.00 22.14 C ATOM 679 NZ LYS A 40 -4.293 -10.591 -8.540 1.00 73.30 N ATOM 0 H LYS A 40 -6.917 -4.695 -8.938 1.00 64.50 H new ATOM 0 HA LYS A 40 -9.564 -5.651 -8.523 1.00 23.20 H new ATOM 0 HB2 LYS A 40 -8.718 -7.797 -8.792 1.00 4.23 H new ATOM 0 HB3 LYS A 40 -7.609 -6.817 -9.731 1.00 4.23 H new ATOM 0 HG2 LYS A 40 -5.992 -6.871 -7.788 1.00 44.52 H new ATOM 0 HG3 LYS A 40 -7.087 -7.954 -6.951 1.00 44.52 H new ATOM 0 HD2 LYS A 40 -6.859 -9.592 -8.881 1.00 32.12 H new ATOM 0 HD3 LYS A 40 -5.667 -8.526 -9.598 1.00 32.12 H new ATOM 0 HE2 LYS A 40 -4.271 -8.751 -7.487 1.00 22.14 H new ATOM 0 HE3 LYS A 40 -5.433 -9.916 -6.884 1.00 22.14 H new ATOM 0 HZ1 LYS A 40 -4.505 -11.509 -8.099 1.00 73.30 H new ATOM 0 HZ2 LYS A 40 -4.618 -10.598 -9.528 1.00 73.30 H new ATOM 0 HZ3 LYS A 40 -3.267 -10.424 -8.514 1.00 73.30 H new ATOM 693 N TYR A 41 -7.663 -5.343 -5.858 1.00 3.22 N ATOM 694 CA TYR A 41 -7.697 -5.239 -4.390 1.00 41.41 C ATOM 695 C TYR A 41 -8.739 -4.188 -3.966 1.00 54.21 C ATOM 696 O TYR A 41 -9.551 -4.447 -3.070 1.00 71.33 O ATOM 697 CB TYR A 41 -6.299 -4.902 -3.812 1.00 52.13 C ATOM 698 CG TYR A 41 -5.240 -6.010 -4.009 1.00 43.02 C ATOM 699 CD1 TYR A 41 -5.546 -7.361 -3.781 1.00 23.05 C ATOM 700 CD2 TYR A 41 -3.937 -5.707 -4.414 1.00 71.24 C ATOM 701 CE1 TYR A 41 -4.592 -8.351 -3.954 1.00 4.41 C ATOM 702 CE2 TYR A 41 -2.985 -6.698 -4.587 1.00 23.13 C ATOM 703 CZ TYR A 41 -3.317 -8.013 -4.360 1.00 64.33 C ATOM 704 OH TYR A 41 -2.365 -8.997 -4.534 1.00 2.24 O ATOM 0 H TYR A 41 -6.800 -4.998 -6.279 1.00 3.22 H new ATOM 0 HA TYR A 41 -7.987 -6.208 -3.983 1.00 41.41 H new ATOM 0 HB2 TYR A 41 -5.938 -3.985 -4.278 1.00 52.13 H new ATOM 0 HB3 TYR A 41 -6.400 -4.699 -2.746 1.00 52.13 H new ATOM 0 HD1 TYR A 41 -6.542 -7.633 -3.465 1.00 23.05 H new ATOM 0 HD2 TYR A 41 -3.667 -4.677 -4.596 1.00 71.24 H new ATOM 0 HE1 TYR A 41 -4.846 -9.385 -3.772 1.00 4.41 H new ATOM 0 HE2 TYR A 41 -1.984 -6.439 -4.899 1.00 23.13 H new ATOM 0 HH TYR A 41 -1.493 -8.583 -4.703 1.00 2.24 H new ATOM 714 N LEU A 42 -8.724 -3.024 -4.658 1.00 11.33 N ATOM 715 CA LEU A 42 -9.670 -1.909 -4.405 1.00 55.10 C ATOM 716 C LEU A 42 -11.157 -2.345 -4.533 1.00 20.31 C ATOM 717 O LEU A 42 -11.972 -1.972 -3.704 1.00 73.43 O ATOM 718 CB LEU A 42 -9.399 -0.707 -5.361 1.00 42.00 C ATOM 719 CG LEU A 42 -8.028 0.031 -5.212 1.00 64.24 C ATOM 720 CD1 LEU A 42 -7.898 1.158 -6.263 1.00 64.34 C ATOM 721 CD2 LEU A 42 -7.821 0.572 -3.777 1.00 4.31 C ATOM 0 H LEU A 42 -8.058 -2.831 -5.406 1.00 11.33 H new ATOM 0 HA LEU A 42 -9.497 -1.598 -3.375 1.00 55.10 H new ATOM 0 HB2 LEU A 42 -9.479 -1.067 -6.387 1.00 42.00 H new ATOM 0 HB3 LEU A 42 -10.194 0.025 -5.217 1.00 42.00 H new ATOM 0 HG LEU A 42 -7.238 -0.697 -5.395 1.00 64.24 H new ATOM 0 HD11 LEU A 42 -6.937 1.659 -6.142 1.00 64.34 H new ATOM 0 HD12 LEU A 42 -7.961 0.731 -7.264 1.00 64.34 H new ATOM 0 HD13 LEU A 42 -8.703 1.879 -6.124 1.00 64.34 H new ATOM 0 HD21 LEU A 42 -6.858 1.078 -3.714 1.00 4.31 H new ATOM 0 HD22 LEU A 42 -8.617 1.276 -3.535 1.00 4.31 H new ATOM 0 HD23 LEU A 42 -7.842 -0.257 -3.069 1.00 4.31 H new ATOM 733 N GLU A 43 -11.484 -3.128 -5.574 1.00 62.23 N ATOM 734 CA GLU A 43 -12.865 -3.630 -5.819 1.00 74.43 C ATOM 735 C GLU A 43 -13.417 -4.426 -4.617 1.00 53.52 C ATOM 736 O GLU A 43 -14.577 -4.241 -4.212 1.00 41.40 O ATOM 737 CB GLU A 43 -12.901 -4.510 -7.092 1.00 53.02 C ATOM 738 CG GLU A 43 -12.478 -3.790 -8.382 1.00 14.42 C ATOM 739 CD GLU A 43 -12.537 -4.705 -9.611 1.00 62.54 C ATOM 740 OE1 GLU A 43 -11.652 -5.575 -9.758 1.00 33.13 O ATOM 741 OE2 GLU A 43 -13.474 -4.567 -10.426 1.00 14.04 O ATOM 0 H GLU A 43 -10.808 -3.436 -6.273 1.00 62.23 H new ATOM 0 HA GLU A 43 -13.503 -2.757 -5.960 1.00 74.43 H new ATOM 0 HB2 GLU A 43 -12.249 -5.370 -6.941 1.00 53.02 H new ATOM 0 HB3 GLU A 43 -13.912 -4.896 -7.222 1.00 53.02 H new ATOM 0 HG2 GLU A 43 -13.126 -2.929 -8.543 1.00 14.42 H new ATOM 0 HG3 GLU A 43 -11.464 -3.408 -8.265 1.00 14.42 H new ATOM 748 N GLU A 44 -12.557 -5.284 -4.048 1.00 41.04 N ATOM 749 CA GLU A 44 -12.872 -6.049 -2.827 1.00 54.13 C ATOM 750 C GLU A 44 -13.032 -5.083 -1.627 1.00 32.15 C ATOM 751 O GLU A 44 -13.939 -5.237 -0.805 1.00 54.02 O ATOM 752 CB GLU A 44 -11.753 -7.100 -2.568 1.00 65.53 C ATOM 753 CG GLU A 44 -12.032 -8.097 -1.415 1.00 3.14 C ATOM 754 CD GLU A 44 -13.272 -8.989 -1.640 1.00 72.33 C ATOM 755 OE1 GLU A 44 -13.317 -9.722 -2.657 1.00 61.33 O ATOM 756 OE2 GLU A 44 -14.197 -8.990 -0.795 1.00 1.32 O ATOM 0 H GLU A 44 -11.625 -5.469 -4.419 1.00 41.04 H new ATOM 0 HA GLU A 44 -13.815 -6.581 -2.956 1.00 54.13 H new ATOM 0 HB2 GLU A 44 -11.591 -7.667 -3.485 1.00 65.53 H new ATOM 0 HB3 GLU A 44 -10.824 -6.571 -2.352 1.00 65.53 H new ATOM 0 HG2 GLU A 44 -11.158 -8.735 -1.281 1.00 3.14 H new ATOM 0 HG3 GLU A 44 -12.163 -7.537 -0.489 1.00 3.14 H new ATOM 763 N PHE A 45 -12.158 -4.056 -1.588 1.00 32.05 N ATOM 764 CA PHE A 45 -12.145 -3.023 -0.526 1.00 60.44 C ATOM 765 C PHE A 45 -13.329 -2.024 -0.636 1.00 22.04 C ATOM 766 O PHE A 45 -13.590 -1.271 0.302 1.00 70.42 O ATOM 767 CB PHE A 45 -10.786 -2.266 -0.540 1.00 54.11 C ATOM 768 CG PHE A 45 -9.540 -3.118 -0.219 1.00 30.51 C ATOM 769 CD1 PHE A 45 -9.629 -4.308 0.516 1.00 34.15 C ATOM 770 CD2 PHE A 45 -8.270 -2.717 -0.651 1.00 74.44 C ATOM 771 CE1 PHE A 45 -8.498 -5.059 0.802 1.00 3.42 C ATOM 772 CE2 PHE A 45 -7.144 -3.471 -0.362 1.00 33.53 C ATOM 773 CZ PHE A 45 -7.258 -4.640 0.362 1.00 3.04 C ATOM 0 H PHE A 45 -11.436 -3.917 -2.296 1.00 32.05 H new ATOM 0 HA PHE A 45 -12.267 -3.540 0.426 1.00 60.44 H new ATOM 0 HB2 PHE A 45 -10.652 -1.817 -1.524 1.00 54.11 H new ATOM 0 HB3 PHE A 45 -10.839 -1.449 0.179 1.00 54.11 H new ATOM 0 HD1 PHE A 45 -10.593 -4.646 0.865 1.00 34.15 H new ATOM 0 HD2 PHE A 45 -8.166 -1.804 -1.219 1.00 74.44 H new ATOM 0 HE1 PHE A 45 -8.588 -5.973 1.370 1.00 3.42 H new ATOM 0 HE2 PHE A 45 -6.174 -3.143 -0.705 1.00 33.53 H new ATOM 0 HZ PHE A 45 -6.379 -5.226 0.584 1.00 3.04 H new ATOM 783 N ARG A 46 -14.015 -1.999 -1.798 1.00 11.13 N ATOM 784 CA ARG A 46 -15.256 -1.201 -1.991 1.00 43.24 C ATOM 785 C ARG A 46 -16.436 -1.886 -1.289 1.00 54.35 C ATOM 786 O ARG A 46 -17.271 -1.228 -0.662 1.00 11.34 O ATOM 787 CB ARG A 46 -15.591 -1.009 -3.500 1.00 40.30 C ATOM 788 CG ARG A 46 -14.575 -0.163 -4.296 1.00 34.14 C ATOM 789 CD ARG A 46 -15.021 0.100 -5.752 1.00 70.14 C ATOM 790 NE ARG A 46 -15.278 -1.149 -6.504 1.00 51.35 N ATOM 791 CZ ARG A 46 -15.360 -1.254 -7.855 1.00 22.31 C ATOM 792 NH1 ARG A 46 -15.191 -0.192 -8.650 1.00 34.42 N ATOM 793 NH2 ARG A 46 -15.621 -2.439 -8.389 1.00 41.13 N ATOM 0 H ARG A 46 -13.732 -2.524 -2.625 1.00 11.13 H new ATOM 0 HA ARG A 46 -15.084 -0.217 -1.554 1.00 43.24 H new ATOM 0 HB2 ARG A 46 -15.667 -1.991 -3.967 1.00 40.30 H new ATOM 0 HB3 ARG A 46 -16.572 -0.541 -3.581 1.00 40.30 H new ATOM 0 HG2 ARG A 46 -14.427 0.790 -3.789 1.00 34.14 H new ATOM 0 HG3 ARG A 46 -13.612 -0.673 -4.303 1.00 34.14 H new ATOM 0 HD2 ARG A 46 -15.925 0.709 -5.747 1.00 70.14 H new ATOM 0 HD3 ARG A 46 -14.251 0.677 -6.265 1.00 70.14 H new ATOM 0 HE ARG A 46 -15.404 -2.003 -5.961 1.00 51.35 H new ATOM 0 HH11 ARG A 46 -14.996 0.723 -8.244 1.00 34.42 H new ATOM 0 HH12 ARG A 46 -15.258 -0.297 -9.662 1.00 34.42 H new ATOM 0 HH21 ARG A 46 -15.756 -3.251 -7.787 1.00 41.13 H new ATOM 0 HH22 ARG A 46 -15.687 -2.539 -9.402 1.00 41.13 H new ATOM 807 N LYS A 47 -16.470 -3.225 -1.391 1.00 13.35 N ATOM 808 CA LYS A 47 -17.498 -4.077 -0.745 1.00 2.14 C ATOM 809 C LYS A 47 -17.460 -3.900 0.790 1.00 52.15 C ATOM 810 O LYS A 47 -18.490 -3.998 1.463 1.00 71.22 O ATOM 811 CB LYS A 47 -17.243 -5.562 -1.110 1.00 1.23 C ATOM 812 CG LYS A 47 -17.251 -5.880 -2.623 1.00 62.32 C ATOM 813 CD LYS A 47 -16.627 -7.266 -2.940 1.00 45.13 C ATOM 814 CE LYS A 47 -17.304 -8.429 -2.190 1.00 70.12 C ATOM 815 NZ LYS A 47 -16.616 -9.726 -2.453 1.00 44.35 N ATOM 0 H LYS A 47 -15.783 -3.756 -1.926 1.00 13.35 H new ATOM 0 HA LYS A 47 -18.482 -3.777 -1.104 1.00 2.14 H new ATOM 0 HB2 LYS A 47 -16.279 -5.860 -0.698 1.00 1.23 H new ATOM 0 HB3 LYS A 47 -18.001 -6.175 -0.623 1.00 1.23 H new ATOM 0 HG2 LYS A 47 -18.276 -5.853 -2.992 1.00 62.32 H new ATOM 0 HG3 LYS A 47 -16.700 -5.106 -3.157 1.00 62.32 H new ATOM 0 HD2 LYS A 47 -16.692 -7.449 -4.013 1.00 45.13 H new ATOM 0 HD3 LYS A 47 -15.568 -7.246 -2.684 1.00 45.13 H new ATOM 0 HE2 LYS A 47 -17.299 -8.224 -1.119 1.00 70.12 H new ATOM 0 HE3 LYS A 47 -18.348 -8.501 -2.496 1.00 70.12 H new ATOM 0 HZ1 LYS A 47 -17.260 -10.512 -2.231 1.00 44.35 H new ATOM 0 HZ2 LYS A 47 -16.341 -9.776 -3.455 1.00 44.35 H new ATOM 0 HZ3 LYS A 47 -15.767 -9.796 -1.857 1.00 44.35 H new ATOM 829 N GLU A 48 -16.244 -3.640 1.310 1.00 41.51 N ATOM 830 CA GLU A 48 -15.985 -3.399 2.739 1.00 24.04 C ATOM 831 C GLU A 48 -15.425 -1.977 2.957 1.00 64.30 C ATOM 832 O GLU A 48 -14.595 -1.749 3.840 1.00 62.05 O ATOM 833 CB GLU A 48 -15.010 -4.496 3.265 1.00 12.44 C ATOM 834 CG GLU A 48 -13.668 -4.586 2.504 1.00 1.53 C ATOM 835 CD GLU A 48 -12.745 -5.698 3.020 1.00 35.40 C ATOM 836 OE1 GLU A 48 -12.877 -6.859 2.567 1.00 12.35 O ATOM 837 OE2 GLU A 48 -11.916 -5.429 3.910 1.00 1.22 O ATOM 0 H GLU A 48 -15.402 -3.591 0.737 1.00 41.51 H new ATOM 0 HA GLU A 48 -16.916 -3.461 3.303 1.00 24.04 H new ATOM 0 HB2 GLU A 48 -14.803 -4.304 4.318 1.00 12.44 H new ATOM 0 HB3 GLU A 48 -15.509 -5.463 3.209 1.00 12.44 H new ATOM 0 HG2 GLU A 48 -13.870 -4.754 1.446 1.00 1.53 H new ATOM 0 HG3 GLU A 48 -13.150 -3.630 2.582 1.00 1.53 H new ATOM 844 N SER A 49 -15.953 -1.000 2.174 1.00 51.33 N ATOM 845 CA SER A 49 -15.571 0.435 2.286 1.00 5.33 C ATOM 846 C SER A 49 -15.954 1.059 3.653 1.00 51.11 C ATOM 847 O SER A 49 -15.555 2.193 3.952 1.00 70.32 O ATOM 848 CB SER A 49 -16.171 1.251 1.111 1.00 73.22 C ATOM 849 OG SER A 49 -17.583 1.090 1.018 1.00 31.51 O ATOM 0 H SER A 49 -16.650 -1.182 1.452 1.00 51.33 H new ATOM 0 HA SER A 49 -14.483 0.478 2.226 1.00 5.33 H new ATOM 0 HB2 SER A 49 -15.934 2.307 1.244 1.00 73.22 H new ATOM 0 HB3 SER A 49 -15.707 0.936 0.176 1.00 73.22 H new ATOM 0 HG SER A 49 -17.787 0.312 0.458 1.00 31.51 H new ATOM 855 N GLN A 50 -16.721 0.307 4.463 1.00 52.21 N ATOM 856 CA GLN A 50 -17.116 0.704 5.822 1.00 14.11 C ATOM 857 C GLN A 50 -15.890 0.909 6.753 1.00 3.34 C ATOM 858 O GLN A 50 -15.335 -0.053 7.299 1.00 42.03 O ATOM 859 CB GLN A 50 -18.137 -0.322 6.400 1.00 21.51 C ATOM 860 CG GLN A 50 -17.736 -1.811 6.298 1.00 2.23 C ATOM 861 CD GLN A 50 -18.829 -2.763 6.802 1.00 65.51 C ATOM 862 OE1 GLN A 50 -19.687 -3.202 6.036 1.00 4.00 O ATOM 863 NE2 GLN A 50 -18.817 -3.066 8.092 1.00 72.33 N ATOM 0 H GLN A 50 -17.087 -0.604 4.187 1.00 52.21 H new ATOM 0 HA GLN A 50 -17.608 1.675 5.766 1.00 14.11 H new ATOM 0 HB2 GLN A 50 -18.306 -0.083 7.450 1.00 21.51 H new ATOM 0 HB3 GLN A 50 -19.088 -0.187 5.885 1.00 21.51 H new ATOM 0 HG2 GLN A 50 -17.505 -2.049 5.260 1.00 2.23 H new ATOM 0 HG3 GLN A 50 -16.825 -1.976 6.873 1.00 2.23 H new ATOM 0 HE21 GLN A 50 -18.091 -2.685 8.699 1.00 72.33 H new ATOM 0 HE22 GLN A 50 -19.534 -3.681 8.478 1.00 72.33 H new ATOM 872 N ASN A 51 -15.466 2.193 6.876 1.00 62.41 N ATOM 873 CA ASN A 51 -14.290 2.624 7.681 1.00 74.54 C ATOM 874 C ASN A 51 -13.023 1.828 7.320 1.00 25.13 C ATOM 875 O ASN A 51 -12.281 1.382 8.203 1.00 32.41 O ATOM 876 CB ASN A 51 -14.583 2.555 9.218 1.00 61.54 C ATOM 877 CG ASN A 51 -15.258 3.806 9.767 1.00 73.43 C ATOM 878 OD1 ASN A 51 -14.589 4.729 10.233 1.00 21.14 O ATOM 879 ND2 ASN A 51 -16.572 3.859 9.703 1.00 43.24 N ATOM 0 H ASN A 51 -15.937 2.970 6.413 1.00 62.41 H new ATOM 0 HA ASN A 51 -14.101 3.667 7.428 1.00 74.54 H new ATOM 0 HB2 ASN A 51 -15.217 1.692 9.420 1.00 61.54 H new ATOM 0 HB3 ASN A 51 -13.646 2.394 9.751 1.00 61.54 H new ATOM 0 HD21 ASN A 51 -17.066 4.683 10.046 1.00 43.24 H new ATOM 0 HD22 ASN A 51 -17.095 3.076 9.311 1.00 43.24 H new ATOM 886 N ILE A 52 -12.786 1.638 6.022 1.00 74.04 N ATOM 887 CA ILE A 52 -11.568 0.969 5.546 1.00 21.51 C ATOM 888 C ILE A 52 -10.481 2.012 5.249 1.00 71.03 C ATOM 889 O ILE A 52 -10.785 3.172 4.939 1.00 22.24 O ATOM 890 CB ILE A 52 -11.839 0.061 4.288 1.00 51.30 C ATOM 891 CG1 ILE A 52 -10.661 -0.933 4.049 1.00 53.31 C ATOM 892 CG2 ILE A 52 -12.113 0.905 3.022 1.00 33.22 C ATOM 893 CD1 ILE A 52 -10.945 -2.017 3.035 1.00 62.11 C ATOM 0 H ILE A 52 -13.419 1.936 5.280 1.00 74.04 H new ATOM 0 HA ILE A 52 -11.220 0.307 6.339 1.00 21.51 H new ATOM 0 HB ILE A 52 -12.737 -0.520 4.496 1.00 51.30 H new ATOM 0 HG12 ILE A 52 -9.788 -0.368 3.722 1.00 53.31 H new ATOM 0 HG13 ILE A 52 -10.401 -1.401 4.998 1.00 53.31 H new ATOM 0 HG21 ILE A 52 -12.295 0.243 2.176 1.00 33.22 H new ATOM 0 HG22 ILE A 52 -12.988 1.533 3.186 1.00 33.22 H new ATOM 0 HG23 ILE A 52 -11.249 1.535 2.810 1.00 33.22 H new ATOM 0 HD11 ILE A 52 -10.070 -2.660 2.935 1.00 62.11 H new ATOM 0 HD12 ILE A 52 -11.796 -2.612 3.367 1.00 62.11 H new ATOM 0 HD13 ILE A 52 -11.174 -1.563 2.071 1.00 62.11 H new ATOM 905 N LYS A 53 -9.224 1.590 5.393 1.00 63.32 N ATOM 906 CA LYS A 53 -8.046 2.377 5.048 1.00 2.44 C ATOM 907 C LYS A 53 -7.025 1.463 4.393 1.00 53.11 C ATOM 908 O LYS A 53 -6.830 0.323 4.817 1.00 64.53 O ATOM 909 CB LYS A 53 -7.427 3.080 6.284 1.00 0.24 C ATOM 910 CG LYS A 53 -8.120 4.399 6.662 1.00 54.34 C ATOM 911 CD LYS A 53 -7.408 5.149 7.801 1.00 4.21 C ATOM 912 CE LYS A 53 -7.905 6.593 7.928 1.00 20.43 C ATOM 913 NZ LYS A 53 -9.380 6.669 7.984 1.00 20.44 N ATOM 0 H LYS A 53 -8.994 0.667 5.762 1.00 63.32 H new ATOM 0 HA LYS A 53 -8.348 3.165 4.358 1.00 2.44 H new ATOM 0 HB2 LYS A 53 -7.470 2.401 7.136 1.00 0.24 H new ATOM 0 HB3 LYS A 53 -6.373 3.278 6.087 1.00 0.24 H new ATOM 0 HG2 LYS A 53 -8.166 5.043 5.784 1.00 54.34 H new ATOM 0 HG3 LYS A 53 -9.148 4.191 6.959 1.00 54.34 H new ATOM 0 HD2 LYS A 53 -7.573 4.623 8.742 1.00 4.21 H new ATOM 0 HD3 LYS A 53 -6.333 5.149 7.620 1.00 4.21 H new ATOM 0 HE2 LYS A 53 -7.485 7.043 8.827 1.00 20.43 H new ATOM 0 HE3 LYS A 53 -7.544 7.176 7.081 1.00 20.43 H new ATOM 0 HZ1 LYS A 53 -9.673 7.663 8.070 1.00 20.44 H new ATOM 0 HZ2 LYS A 53 -9.782 6.263 7.115 1.00 20.44 H new ATOM 0 HZ3 LYS A 53 -9.724 6.134 8.807 1.00 20.44 H new ATOM 927 N VAL A 54 -6.415 1.972 3.327 1.00 41.20 N ATOM 928 CA VAL A 54 -5.348 1.286 2.597 1.00 61.40 C ATOM 929 C VAL A 54 -4.091 2.167 2.593 1.00 11.12 C ATOM 930 O VAL A 54 -4.180 3.368 2.382 1.00 31.24 O ATOM 931 CB VAL A 54 -5.803 0.968 1.125 1.00 63.44 C ATOM 932 CG1 VAL A 54 -4.698 0.241 0.352 1.00 13.23 C ATOM 933 CG2 VAL A 54 -7.126 0.160 1.106 1.00 2.15 C ATOM 0 H VAL A 54 -6.650 2.885 2.938 1.00 41.20 H new ATOM 0 HA VAL A 54 -5.124 0.341 3.091 1.00 61.40 H new ATOM 0 HB VAL A 54 -5.991 1.918 0.624 1.00 63.44 H new ATOM 0 HG11 VAL A 54 -5.039 0.034 -0.662 1.00 13.23 H new ATOM 0 HG12 VAL A 54 -3.807 0.868 0.314 1.00 13.23 H new ATOM 0 HG13 VAL A 54 -4.460 -0.697 0.854 1.00 13.23 H new ATOM 0 HG21 VAL A 54 -7.413 -0.044 0.074 1.00 2.15 H new ATOM 0 HG22 VAL A 54 -6.985 -0.782 1.636 1.00 2.15 H new ATOM 0 HG23 VAL A 54 -7.912 0.737 1.594 1.00 2.15 H new ATOM 943 N LEU A 55 -2.931 1.563 2.862 1.00 33.22 N ATOM 944 CA LEU A 55 -1.630 2.242 2.802 1.00 33.13 C ATOM 945 C LEU A 55 -0.880 1.746 1.563 1.00 21.20 C ATOM 946 O LEU A 55 -0.390 0.613 1.547 1.00 71.22 O ATOM 947 CB LEU A 55 -0.816 1.942 4.087 1.00 5.42 C ATOM 948 CG LEU A 55 0.576 2.638 4.179 1.00 74.14 C ATOM 949 CD1 LEU A 55 0.450 4.163 4.316 1.00 42.22 C ATOM 950 CD2 LEU A 55 1.428 2.033 5.307 1.00 22.14 C ATOM 0 H LEU A 55 -2.865 0.581 3.130 1.00 33.22 H new ATOM 0 HA LEU A 55 -1.772 3.321 2.736 1.00 33.13 H new ATOM 0 HB2 LEU A 55 -1.410 2.242 4.950 1.00 5.42 H new ATOM 0 HB3 LEU A 55 -0.669 0.864 4.160 1.00 5.42 H new ATOM 0 HG LEU A 55 1.094 2.450 3.239 1.00 74.14 H new ATOM 0 HD11 LEU A 55 1.444 4.606 4.377 1.00 42.22 H new ATOM 0 HD12 LEU A 55 -0.074 4.564 3.448 1.00 42.22 H new ATOM 0 HD13 LEU A 55 -0.110 4.402 5.220 1.00 42.22 H new ATOM 0 HD21 LEU A 55 2.393 2.539 5.346 1.00 22.14 H new ATOM 0 HD22 LEU A 55 0.913 2.159 6.259 1.00 22.14 H new ATOM 0 HD23 LEU A 55 1.583 0.971 5.116 1.00 22.14 H new ATOM 962 N ILE A 56 -0.799 2.582 0.517 1.00 74.25 N ATOM 963 CA ILE A 56 -0.172 2.183 -0.752 1.00 43.34 C ATOM 964 C ILE A 56 1.274 2.715 -0.806 1.00 4.11 C ATOM 965 O ILE A 56 1.481 3.911 -0.999 1.00 55.11 O ATOM 966 CB ILE A 56 -1.003 2.651 -2.014 1.00 74.10 C ATOM 967 CG1 ILE A 56 -2.465 2.103 -1.941 1.00 61.22 C ATOM 968 CG2 ILE A 56 -0.319 2.180 -3.320 1.00 72.32 C ATOM 969 CD1 ILE A 56 -3.384 2.521 -3.083 1.00 63.32 C ATOM 0 H ILE A 56 -1.159 3.536 0.525 1.00 74.25 H new ATOM 0 HA ILE A 56 -0.156 1.094 -0.788 1.00 43.34 H new ATOM 0 HB ILE A 56 -1.040 3.740 -2.015 1.00 74.10 H new ATOM 0 HG12 ILE A 56 -2.424 1.014 -1.911 1.00 61.22 H new ATOM 0 HG13 ILE A 56 -2.910 2.431 -1.002 1.00 61.22 H new ATOM 0 HG21 ILE A 56 -0.905 2.511 -4.177 1.00 72.32 H new ATOM 0 HG22 ILE A 56 0.683 2.605 -3.379 1.00 72.32 H new ATOM 0 HG23 ILE A 56 -0.253 1.092 -3.324 1.00 72.32 H new ATOM 0 HD11 ILE A 56 -4.372 2.086 -2.933 1.00 63.32 H new ATOM 0 HD12 ILE A 56 -3.466 3.608 -3.105 1.00 63.32 H new ATOM 0 HD13 ILE A 56 -2.972 2.169 -4.029 1.00 63.32 H new ATOM 981 N LEU A 57 2.266 1.810 -0.631 1.00 12.33 N ATOM 982 CA LEU A 57 3.700 2.170 -0.692 1.00 34.23 C ATOM 983 C LEU A 57 4.167 1.932 -2.125 1.00 34.44 C ATOM 984 O LEU A 57 4.206 0.789 -2.587 1.00 0.12 O ATOM 985 CB LEU A 57 4.589 1.333 0.287 1.00 72.43 C ATOM 986 CG LEU A 57 4.305 1.456 1.823 1.00 10.14 C ATOM 987 CD1 LEU A 57 4.205 2.920 2.283 1.00 0.12 C ATOM 988 CD2 LEU A 57 3.065 0.650 2.228 1.00 12.42 C ATOM 0 H LEU A 57 2.097 0.821 -0.446 1.00 12.33 H new ATOM 0 HA LEU A 57 3.806 3.211 -0.388 1.00 34.23 H new ATOM 0 HB2 LEU A 57 4.491 0.283 0.012 1.00 72.43 H new ATOM 0 HB3 LEU A 57 5.629 1.612 0.116 1.00 72.43 H new ATOM 0 HG LEU A 57 5.163 1.025 2.340 1.00 10.14 H new ATOM 0 HD11 LEU A 57 4.007 2.952 3.354 1.00 0.12 H new ATOM 0 HD12 LEU A 57 5.143 3.433 2.072 1.00 0.12 H new ATOM 0 HD13 LEU A 57 3.393 3.414 1.749 1.00 0.12 H new ATOM 0 HD21 LEU A 57 2.896 0.757 3.299 1.00 12.42 H new ATOM 0 HD22 LEU A 57 2.196 1.021 1.685 1.00 12.42 H new ATOM 0 HD23 LEU A 57 3.220 -0.402 1.988 1.00 12.42 H new ATOM 1000 N VAL A 58 4.506 3.013 -2.816 1.00 52.42 N ATOM 1001 CA VAL A 58 4.895 2.980 -4.224 1.00 12.43 C ATOM 1002 C VAL A 58 6.380 3.334 -4.354 1.00 3.44 C ATOM 1003 O VAL A 58 6.876 4.212 -3.653 1.00 60.42 O ATOM 1004 CB VAL A 58 4.015 3.975 -5.063 1.00 63.11 C ATOM 1005 CG1 VAL A 58 2.523 3.605 -4.988 1.00 71.02 C ATOM 1006 CG2 VAL A 58 4.221 5.430 -4.620 1.00 5.04 C ATOM 0 H VAL A 58 4.519 3.949 -2.412 1.00 52.42 H new ATOM 0 HA VAL A 58 4.733 1.975 -4.615 1.00 12.43 H new ATOM 0 HB VAL A 58 4.342 3.887 -6.099 1.00 63.11 H new ATOM 0 HG11 VAL A 58 1.942 4.313 -5.579 1.00 71.02 H new ATOM 0 HG12 VAL A 58 2.377 2.599 -5.381 1.00 71.02 H new ATOM 0 HG13 VAL A 58 2.191 3.641 -3.950 1.00 71.02 H new ATOM 0 HG21 VAL A 58 3.595 6.086 -5.224 1.00 5.04 H new ATOM 0 HG22 VAL A 58 3.947 5.533 -3.570 1.00 5.04 H new ATOM 0 HG23 VAL A 58 5.268 5.705 -4.751 1.00 5.04 H new ATOM 1016 N SER A 59 7.084 2.636 -5.239 1.00 23.22 N ATOM 1017 CA SER A 59 8.509 2.896 -5.502 1.00 3.32 C ATOM 1018 C SER A 59 8.700 4.094 -6.456 1.00 42.33 C ATOM 1019 O SER A 59 9.781 4.685 -6.507 1.00 21.24 O ATOM 1020 CB SER A 59 9.153 1.627 -6.084 1.00 12.34 C ATOM 1021 OG SER A 59 9.046 0.546 -5.175 1.00 61.23 O ATOM 0 H SER A 59 6.692 1.876 -5.796 1.00 23.22 H new ATOM 0 HA SER A 59 8.997 3.155 -4.563 1.00 3.32 H new ATOM 0 HB2 SER A 59 8.668 1.366 -7.025 1.00 12.34 H new ATOM 0 HB3 SER A 59 10.203 1.817 -6.308 1.00 12.34 H new ATOM 0 HG SER A 59 9.594 -0.202 -5.491 1.00 61.23 H new ATOM 1027 N ASN A 60 7.639 4.454 -7.210 1.00 63.41 N ATOM 1028 CA ASN A 60 7.703 5.520 -8.237 1.00 4.53 C ATOM 1029 C ASN A 60 6.663 6.619 -7.971 1.00 21.03 C ATOM 1030 O ASN A 60 5.592 6.361 -7.418 1.00 13.10 O ATOM 1031 CB ASN A 60 7.470 4.934 -9.656 1.00 14.14 C ATOM 1032 CG ASN A 60 8.535 3.926 -10.089 1.00 31.52 C ATOM 1033 OD1 ASN A 60 9.697 4.022 -9.700 1.00 1.10 O ATOM 1034 ND2 ASN A 60 8.149 2.955 -10.906 1.00 74.34 N ATOM 0 H ASN A 60 6.720 4.019 -7.126 1.00 63.41 H new ATOM 0 HA ASN A 60 8.700 5.957 -8.183 1.00 4.53 H new ATOM 0 HB2 ASN A 60 6.493 4.451 -9.684 1.00 14.14 H new ATOM 0 HB3 ASN A 60 7.442 5.751 -10.377 1.00 14.14 H new ATOM 0 HD21 ASN A 60 8.824 2.262 -11.229 1.00 74.34 H new ATOM 0 HD22 ASN A 60 7.177 2.902 -11.212 1.00 74.34 H new ATOM 1041 N ASP A 61 7.005 7.852 -8.393 1.00 74.22 N ATOM 1042 CA ASP A 61 6.085 9.008 -8.427 1.00 11.02 C ATOM 1043 C ASP A 61 4.960 8.781 -9.449 1.00 54.04 C ATOM 1044 O ASP A 61 3.832 9.264 -9.271 1.00 75.13 O ATOM 1045 CB ASP A 61 6.888 10.291 -8.757 1.00 62.14 C ATOM 1046 CG ASP A 61 6.019 11.559 -8.857 1.00 24.23 C ATOM 1047 OD1 ASP A 61 5.598 12.092 -7.804 1.00 53.50 O ATOM 1048 OD2 ASP A 61 5.734 12.010 -9.992 1.00 73.51 O ATOM 0 H ASP A 61 7.943 8.077 -8.725 1.00 74.22 H new ATOM 0 HA ASP A 61 5.617 9.124 -7.449 1.00 11.02 H new ATOM 0 HB2 ASP A 61 7.647 10.441 -7.989 1.00 62.14 H new ATOM 0 HB3 ASP A 61 7.414 10.147 -9.701 1.00 62.14 H new ATOM 1053 N GLU A 62 5.297 8.029 -10.512 1.00 71.44 N ATOM 1054 CA GLU A 62 4.329 7.541 -11.504 1.00 51.42 C ATOM 1055 C GLU A 62 3.208 6.762 -10.798 1.00 14.33 C ATOM 1056 O GLU A 62 2.023 7.046 -10.969 1.00 31.40 O ATOM 1057 CB GLU A 62 5.060 6.641 -12.537 1.00 65.52 C ATOM 1058 CG GLU A 62 4.159 6.027 -13.632 1.00 63.23 C ATOM 1059 CD GLU A 62 3.404 7.065 -14.479 1.00 54.22 C ATOM 1060 OE1 GLU A 62 4.065 7.881 -15.164 1.00 13.10 O ATOM 1061 OE2 GLU A 62 2.151 7.070 -14.470 1.00 3.41 O ATOM 0 H GLU A 62 6.256 7.742 -10.706 1.00 71.44 H new ATOM 0 HA GLU A 62 3.881 8.385 -12.029 1.00 51.42 H new ATOM 0 HB2 GLU A 62 5.840 7.230 -13.019 1.00 65.52 H new ATOM 0 HB3 GLU A 62 5.556 5.831 -12.002 1.00 65.52 H new ATOM 0 HG2 GLU A 62 4.773 5.414 -14.291 1.00 63.23 H new ATOM 0 HG3 GLU A 62 3.435 5.362 -13.161 1.00 63.23 H new ATOM 1068 N GLU A 63 3.635 5.830 -9.947 1.00 1.24 N ATOM 1069 CA GLU A 63 2.748 4.948 -9.199 1.00 70.22 C ATOM 1070 C GLU A 63 2.040 5.690 -8.050 1.00 61.54 C ATOM 1071 O GLU A 63 0.951 5.291 -7.659 1.00 31.30 O ATOM 1072 CB GLU A 63 3.545 3.726 -8.706 1.00 75.30 C ATOM 1073 CG GLU A 63 4.248 2.950 -9.843 1.00 34.32 C ATOM 1074 CD GLU A 63 3.281 2.472 -10.942 1.00 4.33 C ATOM 1075 OE1 GLU A 63 2.464 1.578 -10.667 1.00 64.34 O ATOM 1076 OE2 GLU A 63 3.327 2.988 -12.083 1.00 65.45 O ATOM 0 H GLU A 63 4.624 5.666 -9.757 1.00 1.24 H new ATOM 0 HA GLU A 63 1.954 4.598 -9.858 1.00 70.22 H new ATOM 0 HB2 GLU A 63 4.293 4.057 -7.986 1.00 75.30 H new ATOM 0 HB3 GLU A 63 2.871 3.051 -8.179 1.00 75.30 H new ATOM 0 HG2 GLU A 63 5.010 3.587 -10.291 1.00 34.32 H new ATOM 0 HG3 GLU A 63 4.762 2.087 -9.421 1.00 34.32 H new ATOM 1083 N LEU A 64 2.687 6.745 -7.496 1.00 25.10 N ATOM 1084 CA LEU A 64 2.072 7.627 -6.472 1.00 45.14 C ATOM 1085 C LEU A 64 0.780 8.250 -7.008 1.00 13.20 C ATOM 1086 O LEU A 64 -0.307 8.015 -6.467 1.00 71.04 O ATOM 1087 CB LEU A 64 3.061 8.757 -6.033 1.00 71.40 C ATOM 1088 CG LEU A 64 2.512 9.804 -4.999 1.00 1.31 C ATOM 1089 CD1 LEU A 64 2.270 9.177 -3.610 1.00 51.31 C ATOM 1090 CD2 LEU A 64 3.432 11.042 -4.907 1.00 24.22 C ATOM 0 H LEU A 64 3.641 7.007 -7.743 1.00 25.10 H new ATOM 0 HA LEU A 64 1.840 7.013 -5.602 1.00 45.14 H new ATOM 0 HB2 LEU A 64 3.947 8.288 -5.606 1.00 71.40 H new ATOM 0 HB3 LEU A 64 3.383 9.294 -6.925 1.00 71.40 H new ATOM 0 HG LEU A 64 1.543 10.138 -5.370 1.00 1.31 H new ATOM 0 HD11 LEU A 64 1.891 9.938 -2.928 1.00 51.31 H new ATOM 0 HD12 LEU A 64 1.541 8.372 -3.696 1.00 51.31 H new ATOM 0 HD13 LEU A 64 3.207 8.778 -3.223 1.00 51.31 H new ATOM 0 HD21 LEU A 64 3.023 11.746 -4.183 1.00 24.22 H new ATOM 0 HD22 LEU A 64 4.428 10.733 -4.590 1.00 24.22 H new ATOM 0 HD23 LEU A 64 3.495 11.522 -5.884 1.00 24.22 H new ATOM 1102 N ASP A 65 0.918 8.994 -8.121 1.00 23.04 N ATOM 1103 CA ASP A 65 -0.197 9.719 -8.749 1.00 4.52 C ATOM 1104 C ASP A 65 -1.244 8.740 -9.293 1.00 74.03 C ATOM 1105 O ASP A 65 -2.446 8.991 -9.190 1.00 32.44 O ATOM 1106 CB ASP A 65 0.321 10.631 -9.886 1.00 64.43 C ATOM 1107 CG ASP A 65 -0.773 11.539 -10.487 1.00 62.12 C ATOM 1108 OD1 ASP A 65 -1.055 12.610 -9.906 1.00 21.23 O ATOM 1109 OD2 ASP A 65 -1.370 11.179 -11.525 1.00 73.41 O ATOM 0 H ASP A 65 1.807 9.108 -8.609 1.00 23.04 H new ATOM 0 HA ASP A 65 -0.668 10.341 -7.988 1.00 4.52 H new ATOM 0 HB2 ASP A 65 1.130 11.253 -9.503 1.00 64.43 H new ATOM 0 HB3 ASP A 65 0.743 10.010 -10.676 1.00 64.43 H new ATOM 1114 N LYS A 66 -0.756 7.606 -9.836 1.00 64.45 N ATOM 1115 CA LYS A 66 -1.611 6.568 -10.432 1.00 42.21 C ATOM 1116 C LYS A 66 -2.520 5.949 -9.356 1.00 62.01 C ATOM 1117 O LYS A 66 -3.735 5.878 -9.528 1.00 52.21 O ATOM 1118 CB LYS A 66 -0.734 5.478 -11.116 1.00 10.21 C ATOM 1119 CG LYS A 66 -1.478 4.584 -12.133 1.00 52.31 C ATOM 1120 CD LYS A 66 -2.041 5.401 -13.319 1.00 24.34 C ATOM 1121 CE LYS A 66 -2.719 4.531 -14.383 1.00 52.20 C ATOM 1122 NZ LYS A 66 -3.856 3.744 -13.838 1.00 60.51 N ATOM 0 H LYS A 66 0.240 7.388 -9.872 1.00 64.45 H new ATOM 0 HA LYS A 66 -2.245 7.022 -11.194 1.00 42.21 H new ATOM 0 HB2 LYS A 66 0.096 5.968 -11.625 1.00 10.21 H new ATOM 0 HB3 LYS A 66 -0.303 4.842 -10.343 1.00 10.21 H new ATOM 0 HG2 LYS A 66 -0.798 3.820 -12.510 1.00 52.31 H new ATOM 0 HG3 LYS A 66 -2.294 4.065 -11.630 1.00 52.31 H new ATOM 0 HD2 LYS A 66 -2.760 6.129 -12.942 1.00 24.34 H new ATOM 0 HD3 LYS A 66 -1.230 5.964 -13.782 1.00 24.34 H new ATOM 0 HE2 LYS A 66 -3.077 5.167 -15.193 1.00 52.20 H new ATOM 0 HE3 LYS A 66 -1.984 3.851 -14.813 1.00 52.20 H new ATOM 0 HZ1 LYS A 66 -4.479 3.449 -14.617 1.00 60.51 H new ATOM 0 HZ2 LYS A 66 -3.492 2.902 -13.347 1.00 60.51 H new ATOM 0 HZ3 LYS A 66 -4.394 4.330 -13.168 1.00 60.51 H new ATOM 1136 N ALA A 67 -1.911 5.566 -8.220 1.00 12.35 N ATOM 1137 CA ALA A 67 -2.621 4.928 -7.096 1.00 12.45 C ATOM 1138 C ALA A 67 -3.550 5.920 -6.366 1.00 3.33 C ATOM 1139 O ALA A 67 -4.578 5.504 -5.827 1.00 31.11 O ATOM 1140 CB ALA A 67 -1.620 4.308 -6.121 1.00 73.11 C ATOM 0 H ALA A 67 -0.912 5.690 -8.055 1.00 12.35 H new ATOM 0 HA ALA A 67 -3.250 4.138 -7.507 1.00 12.45 H new ATOM 0 HB1 ALA A 67 -2.157 3.840 -5.296 1.00 73.11 H new ATOM 0 HB2 ALA A 67 -1.025 3.556 -6.639 1.00 73.11 H new ATOM 0 HB3 ALA A 67 -0.962 5.085 -5.731 1.00 73.11 H new ATOM 1146 N LYS A 68 -3.182 7.227 -6.354 1.00 5.12 N ATOM 1147 CA LYS A 68 -4.064 8.289 -5.816 1.00 41.54 C ATOM 1148 C LYS A 68 -5.354 8.370 -6.642 1.00 12.34 C ATOM 1149 O LYS A 68 -6.447 8.306 -6.088 1.00 23.12 O ATOM 1150 CB LYS A 68 -3.388 9.689 -5.793 1.00 32.45 C ATOM 1151 CG LYS A 68 -2.263 9.880 -4.747 1.00 11.53 C ATOM 1152 CD LYS A 68 -1.799 11.359 -4.653 1.00 2.34 C ATOM 1153 CE LYS A 68 -1.287 11.914 -5.991 1.00 10.33 C ATOM 1154 NZ LYS A 68 -1.030 13.380 -5.929 1.00 3.33 N ATOM 0 H LYS A 68 -2.288 7.566 -6.708 1.00 5.12 H new ATOM 0 HA LYS A 68 -4.284 8.014 -4.784 1.00 41.54 H new ATOM 0 HB2 LYS A 68 -2.975 9.888 -6.782 1.00 32.45 H new ATOM 0 HB3 LYS A 68 -4.157 10.440 -5.612 1.00 32.45 H new ATOM 0 HG2 LYS A 68 -2.616 9.548 -3.771 1.00 11.53 H new ATOM 0 HG3 LYS A 68 -1.413 9.250 -5.010 1.00 11.53 H new ATOM 0 HD2 LYS A 68 -2.630 11.973 -4.305 1.00 2.34 H new ATOM 0 HD3 LYS A 68 -1.009 11.439 -3.906 1.00 2.34 H new ATOM 0 HE2 LYS A 68 -0.369 11.397 -6.270 1.00 10.33 H new ATOM 0 HE3 LYS A 68 -2.019 11.708 -6.772 1.00 10.33 H new ATOM 0 HZ1 LYS A 68 -0.686 13.712 -6.853 1.00 3.33 H new ATOM 0 HZ2 LYS A 68 -1.911 13.877 -5.689 1.00 3.33 H new ATOM 0 HZ3 LYS A 68 -0.313 13.576 -5.202 1.00 3.33 H new ATOM 1168 N GLU A 69 -5.191 8.456 -7.973 1.00 0.54 N ATOM 1169 CA GLU A 69 -6.318 8.562 -8.910 1.00 25.34 C ATOM 1170 C GLU A 69 -7.277 7.369 -8.750 1.00 1.13 C ATOM 1171 O GLU A 69 -8.444 7.552 -8.419 1.00 20.41 O ATOM 1172 CB GLU A 69 -5.816 8.674 -10.373 1.00 21.10 C ATOM 1173 CG GLU A 69 -5.222 10.050 -10.742 1.00 41.31 C ATOM 1174 CD GLU A 69 -6.245 11.202 -10.651 1.00 54.22 C ATOM 1175 OE1 GLU A 69 -7.102 11.324 -11.555 1.00 31.43 O ATOM 1176 OE2 GLU A 69 -6.208 11.987 -9.675 1.00 72.04 O ATOM 0 H GLU A 69 -4.277 8.454 -8.426 1.00 0.54 H new ATOM 0 HA GLU A 69 -6.867 9.473 -8.673 1.00 25.34 H new ATOM 0 HB2 GLU A 69 -5.059 7.908 -10.544 1.00 21.10 H new ATOM 0 HB3 GLU A 69 -6.646 8.458 -11.046 1.00 21.10 H new ATOM 0 HG2 GLU A 69 -4.383 10.265 -10.080 1.00 41.31 H new ATOM 0 HG3 GLU A 69 -4.824 10.006 -11.756 1.00 41.31 H new ATOM 1183 N LEU A 70 -6.718 6.155 -8.860 1.00 21.32 N ATOM 1184 CA LEU A 70 -7.483 4.896 -8.818 1.00 73.23 C ATOM 1185 C LEU A 70 -8.294 4.773 -7.503 1.00 11.03 C ATOM 1186 O LEU A 70 -9.511 4.569 -7.537 1.00 54.53 O ATOM 1187 CB LEU A 70 -6.508 3.690 -8.992 1.00 3.03 C ATOM 1188 CG LEU A 70 -5.749 3.624 -10.361 1.00 21.20 C ATOM 1189 CD1 LEU A 70 -4.625 2.555 -10.352 1.00 25.20 C ATOM 1190 CD2 LEU A 70 -6.731 3.402 -11.526 1.00 12.52 C ATOM 0 H LEU A 70 -5.715 6.016 -8.982 1.00 21.32 H new ATOM 0 HA LEU A 70 -8.201 4.894 -9.638 1.00 73.23 H new ATOM 0 HB2 LEU A 70 -5.771 3.723 -8.190 1.00 3.03 H new ATOM 0 HB3 LEU A 70 -7.074 2.767 -8.866 1.00 3.03 H new ATOM 0 HG LEU A 70 -5.264 4.589 -10.511 1.00 21.20 H new ATOM 0 HD11 LEU A 70 -4.126 2.544 -11.321 1.00 25.20 H new ATOM 0 HD12 LEU A 70 -3.901 2.795 -9.573 1.00 25.20 H new ATOM 0 HD13 LEU A 70 -5.057 1.574 -10.156 1.00 25.20 H new ATOM 0 HD21 LEU A 70 -6.178 3.360 -12.465 1.00 12.52 H new ATOM 0 HD22 LEU A 70 -7.266 2.464 -11.377 1.00 12.52 H new ATOM 0 HD23 LEU A 70 -7.445 4.225 -11.562 1.00 12.52 H new ATOM 1202 N ALA A 71 -7.608 4.981 -6.364 1.00 22.04 N ATOM 1203 CA ALA A 71 -8.191 4.833 -5.013 1.00 64.14 C ATOM 1204 C ALA A 71 -9.307 5.859 -4.723 1.00 43.43 C ATOM 1205 O ALA A 71 -10.340 5.516 -4.134 1.00 51.44 O ATOM 1206 CB ALA A 71 -7.078 4.959 -3.971 1.00 11.34 C ATOM 0 H ALA A 71 -6.627 5.259 -6.353 1.00 22.04 H new ATOM 0 HA ALA A 71 -8.655 3.848 -4.961 1.00 64.14 H new ATOM 0 HB1 ALA A 71 -7.501 4.851 -2.972 1.00 11.34 H new ATOM 0 HB2 ALA A 71 -6.334 4.179 -4.137 1.00 11.34 H new ATOM 0 HB3 ALA A 71 -6.605 5.937 -4.061 1.00 11.34 H new ATOM 1212 N GLN A 72 -9.081 7.119 -5.146 1.00 25.10 N ATOM 1213 CA GLN A 72 -10.022 8.234 -4.907 1.00 53.14 C ATOM 1214 C GLN A 72 -11.262 8.131 -5.816 1.00 65.21 C ATOM 1215 O GLN A 72 -12.349 8.562 -5.423 1.00 30.35 O ATOM 1216 CB GLN A 72 -9.305 9.603 -5.087 1.00 22.35 C ATOM 1217 CG GLN A 72 -8.208 9.887 -4.033 1.00 25.33 C ATOM 1218 CD GLN A 72 -7.461 11.209 -4.262 1.00 42.42 C ATOM 1219 OE1 GLN A 72 -8.019 12.170 -4.793 1.00 12.20 O ATOM 1220 NE2 GLN A 72 -6.194 11.264 -3.867 1.00 11.34 N ATOM 0 H GLN A 72 -8.244 7.393 -5.661 1.00 25.10 H new ATOM 0 HA GLN A 72 -10.370 8.164 -3.876 1.00 53.14 H new ATOM 0 HB2 GLN A 72 -8.857 9.638 -6.080 1.00 22.35 H new ATOM 0 HB3 GLN A 72 -10.049 10.399 -5.045 1.00 22.35 H new ATOM 0 HG2 GLN A 72 -8.663 9.904 -3.043 1.00 25.33 H new ATOM 0 HG3 GLN A 72 -7.489 9.068 -4.039 1.00 25.33 H new ATOM 0 HE21 GLN A 72 -5.760 10.451 -3.430 1.00 11.34 H new ATOM 0 HE22 GLN A 72 -5.655 12.120 -4.000 1.00 11.34 H new ATOM 1229 N LYS A 73 -11.114 7.533 -7.020 1.00 54.12 N ATOM 1230 CA LYS A 73 -12.267 7.293 -7.927 1.00 10.42 C ATOM 1231 C LYS A 73 -13.054 6.047 -7.472 1.00 13.04 C ATOM 1232 O LYS A 73 -14.212 5.876 -7.839 1.00 31.21 O ATOM 1233 CB LYS A 73 -11.815 7.184 -9.416 1.00 3.33 C ATOM 1234 CG LYS A 73 -10.978 8.390 -9.915 1.00 62.41 C ATOM 1235 CD LYS A 73 -11.644 9.767 -9.658 1.00 31.12 C ATOM 1236 CE LYS A 73 -10.634 10.933 -9.640 1.00 73.11 C ATOM 1237 NZ LYS A 73 -9.951 11.146 -10.944 1.00 44.34 N ATOM 0 H LYS A 73 -10.219 7.210 -7.386 1.00 54.12 H new ATOM 0 HA LYS A 73 -12.934 8.153 -7.868 1.00 10.42 H new ATOM 0 HB2 LYS A 73 -11.230 6.273 -9.541 1.00 3.33 H new ATOM 0 HB3 LYS A 73 -12.699 7.084 -10.046 1.00 3.33 H new ATOM 0 HG2 LYS A 73 -10.004 8.371 -9.425 1.00 62.41 H new ATOM 0 HG3 LYS A 73 -10.799 8.278 -10.984 1.00 62.41 H new ATOM 0 HD2 LYS A 73 -12.391 9.953 -10.430 1.00 31.12 H new ATOM 0 HD3 LYS A 73 -12.172 9.737 -8.705 1.00 31.12 H new ATOM 0 HE2 LYS A 73 -11.153 11.849 -9.357 1.00 73.11 H new ATOM 0 HE3 LYS A 73 -9.884 10.742 -8.873 1.00 73.11 H new ATOM 0 HZ1 LYS A 73 -8.921 11.151 -10.800 1.00 44.34 H new ATOM 0 HZ2 LYS A 73 -10.206 10.379 -11.599 1.00 44.34 H new ATOM 0 HZ3 LYS A 73 -10.248 12.058 -11.347 1.00 44.34 H new ATOM 1251 N MET A 74 -12.398 5.175 -6.669 1.00 70.24 N ATOM 1252 CA MET A 74 -13.088 4.105 -5.903 1.00 20.25 C ATOM 1253 C MET A 74 -13.708 4.675 -4.603 1.00 24.34 C ATOM 1254 O MET A 74 -14.454 3.972 -3.915 1.00 73.33 O ATOM 1255 CB MET A 74 -12.112 2.951 -5.538 1.00 55.20 C ATOM 1256 CG MET A 74 -11.494 2.204 -6.722 1.00 41.32 C ATOM 1257 SD MET A 74 -12.708 1.437 -7.820 1.00 12.41 S ATOM 1258 CE MET A 74 -11.669 0.281 -8.726 1.00 34.40 C ATOM 0 H MET A 74 -11.387 5.191 -6.534 1.00 70.24 H new ATOM 0 HA MET A 74 -13.878 3.710 -6.541 1.00 20.25 H new ATOM 0 HB2 MET A 74 -11.306 3.361 -4.930 1.00 55.20 H new ATOM 0 HB3 MET A 74 -12.646 2.232 -4.917 1.00 55.20 H new ATOM 0 HG2 MET A 74 -10.885 2.899 -7.299 1.00 41.32 H new ATOM 0 HG3 MET A 74 -10.824 1.433 -6.342 1.00 41.32 H new ATOM 0 HE1 MET A 74 -12.277 -0.269 -9.444 1.00 34.40 H new ATOM 0 HE2 MET A 74 -10.890 0.830 -9.255 1.00 34.40 H new ATOM 0 HE3 MET A 74 -11.210 -0.419 -8.028 1.00 34.40 H new ATOM 1268 N GLU A 75 -13.361 5.948 -4.292 1.00 41.03 N ATOM 1269 CA GLU A 75 -13.774 6.683 -3.067 1.00 1.33 C ATOM 1270 C GLU A 75 -13.436 5.919 -1.765 1.00 72.54 C ATOM 1271 O GLU A 75 -14.107 6.081 -0.734 1.00 53.23 O ATOM 1272 CB GLU A 75 -15.279 7.084 -3.131 1.00 62.10 C ATOM 1273 CG GLU A 75 -15.612 8.126 -4.218 1.00 31.30 C ATOM 1274 CD GLU A 75 -17.070 8.610 -4.150 1.00 42.45 C ATOM 1275 OE1 GLU A 75 -17.961 7.927 -4.699 1.00 23.43 O ATOM 1276 OE2 GLU A 75 -17.337 9.661 -3.522 1.00 55.51 O ATOM 0 H GLU A 75 -12.769 6.510 -4.903 1.00 41.03 H new ATOM 0 HA GLU A 75 -13.185 7.600 -3.038 1.00 1.33 H new ATOM 0 HB2 GLU A 75 -15.874 6.188 -3.308 1.00 62.10 H new ATOM 0 HB3 GLU A 75 -15.579 7.480 -2.161 1.00 62.10 H new ATOM 0 HG2 GLU A 75 -14.944 8.981 -4.112 1.00 31.30 H new ATOM 0 HG3 GLU A 75 -15.423 7.693 -5.200 1.00 31.30 H new ATOM 1283 N ILE A 76 -12.361 5.119 -1.818 1.00 2.02 N ATOM 1284 CA ILE A 76 -11.818 4.400 -0.650 1.00 33.14 C ATOM 1285 C ILE A 76 -10.834 5.321 0.094 1.00 20.14 C ATOM 1286 O ILE A 76 -10.017 5.998 -0.552 1.00 63.03 O ATOM 1287 CB ILE A 76 -11.083 3.078 -1.101 1.00 40.23 C ATOM 1288 CG1 ILE A 76 -12.080 2.130 -1.836 1.00 32.13 C ATOM 1289 CG2 ILE A 76 -10.403 2.346 0.086 1.00 42.35 C ATOM 1290 CD1 ILE A 76 -11.441 0.897 -2.445 1.00 32.11 C ATOM 0 H ILE A 76 -11.838 4.950 -2.677 1.00 2.02 H new ATOM 0 HA ILE A 76 -12.639 4.124 0.012 1.00 33.14 H new ATOM 0 HB ILE A 76 -10.290 3.366 -1.791 1.00 40.23 H new ATOM 0 HG12 ILE A 76 -12.849 1.815 -1.131 1.00 32.13 H new ATOM 0 HG13 ILE A 76 -12.581 2.691 -2.625 1.00 32.13 H new ATOM 0 HG21 ILE A 76 -9.912 1.443 -0.277 1.00 42.35 H new ATOM 0 HG22 ILE A 76 -9.663 3.003 0.543 1.00 42.35 H new ATOM 0 HG23 ILE A 76 -11.156 2.077 0.827 1.00 42.35 H new ATOM 0 HD11 ILE A 76 -12.206 0.295 -2.935 1.00 32.11 H new ATOM 0 HD12 ILE A 76 -10.692 1.199 -3.177 1.00 32.11 H new ATOM 0 HD13 ILE A 76 -10.964 0.309 -1.661 1.00 32.11 H new ATOM 1302 N ASP A 77 -10.939 5.375 1.436 1.00 24.41 N ATOM 1303 CA ASP A 77 -10.005 6.149 2.265 1.00 41.10 C ATOM 1304 C ASP A 77 -8.629 5.475 2.184 1.00 42.53 C ATOM 1305 O ASP A 77 -8.460 4.338 2.628 1.00 24.25 O ATOM 1306 CB ASP A 77 -10.511 6.227 3.731 1.00 35.43 C ATOM 1307 CG ASP A 77 -9.705 7.181 4.654 1.00 31.45 C ATOM 1308 OD1 ASP A 77 -8.461 7.148 4.652 1.00 41.42 O ATOM 1309 OD2 ASP A 77 -10.325 7.950 5.423 1.00 42.12 O ATOM 0 H ASP A 77 -11.663 4.890 1.966 1.00 24.41 H new ATOM 0 HA ASP A 77 -9.933 7.173 1.899 1.00 41.10 H new ATOM 0 HB2 ASP A 77 -11.553 6.548 3.723 1.00 35.43 H new ATOM 0 HB3 ASP A 77 -10.489 5.226 4.161 1.00 35.43 H new ATOM 1314 N VAL A 78 -7.670 6.161 1.551 1.00 50.33 N ATOM 1315 CA VAL A 78 -6.318 5.640 1.333 1.00 21.44 C ATOM 1316 C VAL A 78 -5.263 6.703 1.701 1.00 35.33 C ATOM 1317 O VAL A 78 -5.449 7.897 1.457 1.00 14.32 O ATOM 1318 CB VAL A 78 -6.145 5.182 -0.173 1.00 41.20 C ATOM 1319 CG1 VAL A 78 -4.714 4.724 -0.490 1.00 42.42 C ATOM 1320 CG2 VAL A 78 -7.154 4.065 -0.535 1.00 10.33 C ATOM 0 H VAL A 78 -7.812 7.098 1.174 1.00 50.33 H new ATOM 0 HA VAL A 78 -6.170 4.774 1.979 1.00 21.44 H new ATOM 0 HB VAL A 78 -6.350 6.059 -0.786 1.00 41.20 H new ATOM 0 HG11 VAL A 78 -4.652 4.421 -1.535 1.00 42.42 H new ATOM 0 HG12 VAL A 78 -4.021 5.545 -0.308 1.00 42.42 H new ATOM 0 HG13 VAL A 78 -4.452 3.880 0.148 1.00 42.42 H new ATOM 0 HG21 VAL A 78 -7.013 3.770 -1.575 1.00 10.33 H new ATOM 0 HG22 VAL A 78 -6.991 3.203 0.112 1.00 10.33 H new ATOM 0 HG23 VAL A 78 -8.170 4.434 -0.398 1.00 10.33 H new ATOM 1330 N ARG A 79 -4.173 6.234 2.330 1.00 72.03 N ATOM 1331 CA ARG A 79 -2.934 6.990 2.516 1.00 2.55 C ATOM 1332 C ARG A 79 -1.929 6.458 1.467 1.00 31.33 C ATOM 1333 O ARG A 79 -1.427 5.338 1.599 1.00 34.22 O ATOM 1334 CB ARG A 79 -2.357 6.808 3.959 1.00 4.54 C ATOM 1335 CG ARG A 79 -3.079 7.553 5.121 1.00 14.41 C ATOM 1336 CD ARG A 79 -4.470 6.985 5.522 1.00 41.24 C ATOM 1337 NE ARG A 79 -5.600 7.798 5.028 1.00 3.31 N ATOM 1338 CZ ARG A 79 -5.980 8.991 5.523 1.00 44.22 C ATOM 1339 NH1 ARG A 79 -5.339 9.565 6.540 1.00 32.53 N ATOM 1340 NH2 ARG A 79 -7.035 9.592 5.014 1.00 62.43 N ATOM 0 H ARG A 79 -4.133 5.297 2.731 1.00 72.03 H new ATOM 0 HA ARG A 79 -3.121 8.056 2.388 1.00 2.55 H new ATOM 0 HB2 ARG A 79 -2.358 5.743 4.190 1.00 4.54 H new ATOM 0 HB3 ARG A 79 -1.316 7.130 3.948 1.00 4.54 H new ATOM 0 HG2 ARG A 79 -2.432 7.534 5.998 1.00 14.41 H new ATOM 0 HG3 ARG A 79 -3.201 8.598 4.838 1.00 14.41 H new ATOM 0 HD2 ARG A 79 -4.565 5.971 5.135 1.00 41.24 H new ATOM 0 HD3 ARG A 79 -4.528 6.918 6.608 1.00 41.24 H new ATOM 0 HE ARG A 79 -6.138 7.424 4.246 1.00 3.31 H new ATOM 0 HH11 ARG A 79 -4.537 9.100 6.965 1.00 32.53 H new ATOM 0 HH12 ARG A 79 -5.650 10.470 6.894 1.00 32.53 H new ATOM 0 HH21 ARG A 79 -7.554 9.154 4.253 1.00 62.43 H new ATOM 0 HH22 ARG A 79 -7.333 10.496 5.380 1.00 62.43 H new ATOM 1354 N THR A 80 -1.662 7.248 0.413 1.00 54.31 N ATOM 1355 CA THR A 80 -0.761 6.837 -0.687 1.00 4.32 C ATOM 1356 C THR A 80 0.612 7.495 -0.463 1.00 23.15 C ATOM 1357 O THR A 80 0.723 8.730 -0.481 1.00 55.30 O ATOM 1358 CB THR A 80 -1.350 7.238 -2.089 1.00 32.01 C ATOM 1359 OG1 THR A 80 -2.715 6.804 -2.173 1.00 43.34 O ATOM 1360 CG2 THR A 80 -0.561 6.617 -3.260 1.00 42.01 C ATOM 0 H THR A 80 -2.058 8.181 0.296 1.00 54.31 H new ATOM 0 HA THR A 80 -0.658 5.752 -0.684 1.00 4.32 H new ATOM 0 HB THR A 80 -1.276 8.322 -2.172 1.00 32.01 H new ATOM 0 HG1 THR A 80 -3.085 7.054 -3.045 1.00 43.34 H new ATOM 0 HG21 THR A 80 -1.009 6.925 -4.205 1.00 42.01 H new ATOM 0 HG22 THR A 80 0.474 6.956 -3.222 1.00 42.01 H new ATOM 0 HG23 THR A 80 -0.590 5.530 -3.182 1.00 42.01 H new ATOM 1368 N ARG A 81 1.639 6.673 -0.191 1.00 61.05 N ATOM 1369 CA ARG A 81 2.989 7.146 0.186 1.00 4.54 C ATOM 1370 C ARG A 81 4.026 6.728 -0.862 1.00 55.22 C ATOM 1371 O ARG A 81 4.077 5.563 -1.257 1.00 50.43 O ATOM 1372 CB ARG A 81 3.379 6.572 1.576 1.00 63.31 C ATOM 1373 CG ARG A 81 2.369 6.881 2.697 1.00 54.33 C ATOM 1374 CD ARG A 81 2.092 8.386 2.855 1.00 13.30 C ATOM 1375 NE ARG A 81 1.164 8.650 3.965 1.00 50.24 N ATOM 1376 CZ ARG A 81 0.309 9.675 4.035 1.00 5.44 C ATOM 1377 NH1 ARG A 81 0.227 10.577 3.053 1.00 45.22 N ATOM 1378 NH2 ARG A 81 -0.451 9.805 5.113 1.00 62.41 N ATOM 0 H ARG A 81 1.560 5.657 -0.226 1.00 61.05 H new ATOM 0 HA ARG A 81 2.972 8.235 0.236 1.00 4.54 H new ATOM 0 HB2 ARG A 81 3.490 5.491 1.491 1.00 63.31 H new ATOM 0 HB3 ARG A 81 4.353 6.971 1.860 1.00 63.31 H new ATOM 0 HG2 ARG A 81 1.432 6.364 2.488 1.00 54.33 H new ATOM 0 HG3 ARG A 81 2.748 6.485 3.639 1.00 54.33 H new ATOM 0 HD2 ARG A 81 3.030 8.913 3.030 1.00 13.30 H new ATOM 0 HD3 ARG A 81 1.674 8.779 1.928 1.00 13.30 H new ATOM 0 HE ARG A 81 1.174 7.996 4.747 1.00 50.24 H new ATOM 0 HH11 ARG A 81 0.824 10.491 2.230 1.00 45.22 H new ATOM 0 HH12 ARG A 81 -0.432 11.352 3.126 1.00 45.22 H new ATOM 0 HH21 ARG A 81 -0.378 9.129 5.873 1.00 62.41 H new ATOM 0 HH22 ARG A 81 -1.109 10.581 5.183 1.00 62.41 H new ATOM 1392 N LYS A 82 4.856 7.694 -1.283 1.00 11.34 N ATOM 1393 CA LYS A 82 5.946 7.463 -2.234 1.00 41.02 C ATOM 1394 C LYS A 82 7.240 7.142 -1.472 1.00 62.14 C ATOM 1395 O LYS A 82 7.833 8.016 -0.832 1.00 40.52 O ATOM 1396 CB LYS A 82 6.111 8.697 -3.154 1.00 54.15 C ATOM 1397 CG LYS A 82 7.271 8.598 -4.164 1.00 14.43 C ATOM 1398 CD LYS A 82 7.304 9.794 -5.140 1.00 33.43 C ATOM 1399 CE LYS A 82 7.391 11.160 -4.438 1.00 73.23 C ATOM 1400 NZ LYS A 82 7.220 12.282 -5.408 1.00 71.21 N ATOM 0 H LYS A 82 4.787 8.662 -0.969 1.00 11.34 H new ATOM 0 HA LYS A 82 5.711 6.607 -2.866 1.00 41.02 H new ATOM 0 HB2 LYS A 82 5.182 8.851 -3.703 1.00 54.15 H new ATOM 0 HB3 LYS A 82 6.263 9.579 -2.532 1.00 54.15 H new ATOM 0 HG2 LYS A 82 8.216 8.547 -3.624 1.00 14.43 H new ATOM 0 HG3 LYS A 82 7.178 7.672 -4.731 1.00 14.43 H new ATOM 0 HD2 LYS A 82 8.158 9.683 -5.808 1.00 33.43 H new ATOM 0 HD3 LYS A 82 6.408 9.770 -5.761 1.00 33.43 H new ATOM 0 HE2 LYS A 82 6.624 11.224 -3.666 1.00 73.23 H new ATOM 0 HE3 LYS A 82 8.355 11.253 -3.938 1.00 73.23 H new ATOM 0 HZ1 LYS A 82 6.786 13.095 -4.926 1.00 71.21 H new ATOM 0 HZ2 LYS A 82 8.149 12.559 -5.785 1.00 71.21 H new ATOM 0 HZ3 LYS A 82 6.606 11.975 -6.189 1.00 71.21 H new ATOM 1414 N VAL A 83 7.632 5.869 -1.521 1.00 31.32 N ATOM 1415 CA VAL A 83 8.867 5.367 -0.913 1.00 30.43 C ATOM 1416 C VAL A 83 9.942 5.155 -1.993 1.00 30.24 C ATOM 1417 O VAL A 83 9.640 5.092 -3.190 1.00 62.22 O ATOM 1418 CB VAL A 83 8.590 4.048 -0.102 1.00 53.43 C ATOM 1419 CG1 VAL A 83 7.456 4.281 0.927 1.00 22.42 C ATOM 1420 CG2 VAL A 83 8.273 2.840 -1.018 1.00 4.42 C ATOM 0 H VAL A 83 7.091 5.144 -1.992 1.00 31.32 H new ATOM 0 HA VAL A 83 9.242 6.109 -0.209 1.00 30.43 H new ATOM 0 HB VAL A 83 9.507 3.796 0.431 1.00 53.43 H new ATOM 0 HG11 VAL A 83 7.274 3.361 1.482 1.00 22.42 H new ATOM 0 HG12 VAL A 83 7.749 5.070 1.619 1.00 22.42 H new ATOM 0 HG13 VAL A 83 6.546 4.576 0.405 1.00 22.42 H new ATOM 0 HG21 VAL A 83 8.090 1.957 -0.406 1.00 4.42 H new ATOM 0 HG22 VAL A 83 7.387 3.058 -1.614 1.00 4.42 H new ATOM 0 HG23 VAL A 83 9.119 2.654 -1.680 1.00 4.42 H new ATOM 1430 N THR A 84 11.208 5.084 -1.558 1.00 53.35 N ATOM 1431 CA THR A 84 12.355 4.876 -2.453 1.00 72.45 C ATOM 1432 C THR A 84 13.215 3.721 -1.911 1.00 12.44 C ATOM 1433 O THR A 84 13.507 2.758 -2.625 1.00 53.42 O ATOM 1434 CB THR A 84 13.205 6.188 -2.589 1.00 42.01 C ATOM 1435 OG1 THR A 84 13.517 6.715 -1.284 1.00 44.25 O ATOM 1436 CG2 THR A 84 12.490 7.277 -3.421 1.00 5.42 C ATOM 0 H THR A 84 11.466 5.169 -0.575 1.00 53.35 H new ATOM 0 HA THR A 84 11.991 4.618 -3.447 1.00 72.45 H new ATOM 0 HB THR A 84 14.120 5.916 -3.116 1.00 42.01 H new ATOM 0 HG1 THR A 84 14.049 7.532 -1.380 1.00 44.25 H new ATOM 0 HG21 THR A 84 13.123 8.162 -3.483 1.00 5.42 H new ATOM 0 HG22 THR A 84 12.296 6.899 -4.425 1.00 5.42 H new ATOM 0 HG23 THR A 84 11.546 7.539 -2.943 1.00 5.42 H new ATOM 1444 N SER A 85 13.604 3.830 -0.625 1.00 53.22 N ATOM 1445 CA SER A 85 14.396 2.801 0.075 1.00 43.53 C ATOM 1446 C SER A 85 13.462 1.804 0.812 1.00 31.23 C ATOM 1447 O SER A 85 12.326 2.165 1.150 1.00 44.52 O ATOM 1448 CB SER A 85 15.365 3.492 1.061 1.00 54.41 C ATOM 1449 OG SER A 85 16.218 4.400 0.385 1.00 35.40 O ATOM 0 H SER A 85 13.377 4.636 -0.042 1.00 53.22 H new ATOM 0 HA SER A 85 14.977 2.231 -0.650 1.00 43.53 H new ATOM 0 HB2 SER A 85 14.795 4.022 1.824 1.00 54.41 H new ATOM 0 HB3 SER A 85 15.963 2.740 1.575 1.00 54.41 H new ATOM 0 HG SER A 85 16.820 4.825 1.031 1.00 35.40 H new ATOM 1455 N PRO A 86 13.918 0.524 1.059 1.00 20.31 N ATOM 1456 CA PRO A 86 13.116 -0.496 1.791 1.00 62.14 C ATOM 1457 C PRO A 86 12.689 -0.044 3.205 1.00 55.30 C ATOM 1458 O PRO A 86 11.574 -0.333 3.641 1.00 35.15 O ATOM 1459 CB PRO A 86 14.062 -1.722 1.844 1.00 14.11 C ATOM 1460 CG PRO A 86 14.998 -1.533 0.691 1.00 12.42 C ATOM 1461 CD PRO A 86 15.223 -0.043 0.611 1.00 23.35 C ATOM 0 HA PRO A 86 12.168 -0.698 1.293 1.00 62.14 H new ATOM 0 HB2 PRO A 86 14.603 -1.764 2.790 1.00 14.11 H new ATOM 0 HB3 PRO A 86 13.506 -2.655 1.753 1.00 14.11 H new ATOM 0 HG2 PRO A 86 15.935 -2.066 0.852 1.00 12.42 H new ATOM 0 HG3 PRO A 86 14.568 -1.917 -0.234 1.00 12.42 H new ATOM 0 HD2 PRO A 86 16.043 0.275 1.255 1.00 23.35 H new ATOM 0 HD3 PRO A 86 15.473 0.273 -0.402 1.00 23.35 H new ATOM 1469 N ASP A 87 13.582 0.701 3.885 1.00 14.13 N ATOM 1470 CA ASP A 87 13.324 1.224 5.245 1.00 24.31 C ATOM 1471 C ASP A 87 12.274 2.357 5.230 1.00 1.15 C ATOM 1472 O ASP A 87 11.558 2.544 6.214 1.00 52.21 O ATOM 1473 CB ASP A 87 14.642 1.692 5.912 1.00 15.53 C ATOM 1474 CG ASP A 87 14.459 2.203 7.356 1.00 54.24 C ATOM 1475 OD1 ASP A 87 13.949 1.434 8.202 1.00 53.44 O ATOM 1476 OD2 ASP A 87 14.826 3.361 7.653 1.00 51.20 O ATOM 0 H ASP A 87 14.496 0.957 3.512 1.00 14.13 H new ATOM 0 HA ASP A 87 12.912 0.409 5.840 1.00 24.31 H new ATOM 0 HB2 ASP A 87 15.351 0.864 5.916 1.00 15.53 H new ATOM 0 HB3 ASP A 87 15.083 2.485 5.308 1.00 15.53 H new ATOM 1481 N GLU A 88 12.177 3.091 4.101 1.00 32.34 N ATOM 1482 CA GLU A 88 11.103 4.085 3.891 1.00 20.13 C ATOM 1483 C GLU A 88 9.731 3.385 3.852 1.00 35.21 C ATOM 1484 O GLU A 88 8.782 3.819 4.517 1.00 11.33 O ATOM 1485 CB GLU A 88 11.327 4.882 2.582 1.00 35.11 C ATOM 1486 CG GLU A 88 12.583 5.772 2.565 1.00 34.45 C ATOM 1487 CD GLU A 88 12.577 6.861 3.656 1.00 31.02 C ATOM 1488 OE1 GLU A 88 11.746 7.790 3.573 1.00 62.33 O ATOM 1489 OE2 GLU A 88 13.383 6.784 4.612 1.00 75.21 O ATOM 0 H GLU A 88 12.830 3.014 3.321 1.00 32.34 H new ATOM 0 HA GLU A 88 11.125 4.786 4.725 1.00 20.13 H new ATOM 0 HB2 GLU A 88 11.389 4.178 1.752 1.00 35.11 H new ATOM 0 HB3 GLU A 88 10.454 5.509 2.403 1.00 35.11 H new ATOM 0 HG2 GLU A 88 13.465 5.145 2.693 1.00 34.45 H new ATOM 0 HG3 GLU A 88 12.669 6.248 1.588 1.00 34.45 H new ATOM 1496 N ALA A 89 9.669 2.259 3.103 1.00 34.13 N ATOM 1497 CA ALA A 89 8.448 1.439 2.969 1.00 33.32 C ATOM 1498 C ALA A 89 8.015 0.875 4.327 1.00 73.12 C ATOM 1499 O ALA A 89 6.826 0.869 4.653 1.00 75.42 O ATOM 1500 CB ALA A 89 8.675 0.308 1.960 1.00 53.31 C ATOM 0 H ALA A 89 10.464 1.896 2.577 1.00 34.13 H new ATOM 0 HA ALA A 89 7.645 2.077 2.600 1.00 33.32 H new ATOM 0 HB1 ALA A 89 7.767 -0.288 1.871 1.00 53.31 H new ATOM 0 HB2 ALA A 89 8.927 0.733 0.988 1.00 53.31 H new ATOM 0 HB3 ALA A 89 9.493 -0.326 2.302 1.00 53.31 H new ATOM 1506 N LYS A 90 9.013 0.449 5.117 1.00 45.21 N ATOM 1507 CA LYS A 90 8.813 -0.102 6.458 1.00 60.45 C ATOM 1508 C LYS A 90 8.281 0.969 7.434 1.00 41.41 C ATOM 1509 O LYS A 90 7.320 0.719 8.180 1.00 62.03 O ATOM 1510 CB LYS A 90 10.161 -0.664 6.986 1.00 71.35 C ATOM 1511 CG LYS A 90 10.660 -1.942 6.285 1.00 61.52 C ATOM 1512 CD LYS A 90 12.128 -2.336 6.637 1.00 4.11 C ATOM 1513 CE LYS A 90 12.441 -2.451 8.149 1.00 61.25 C ATOM 1514 NZ LYS A 90 12.744 -1.127 8.781 1.00 15.05 N ATOM 0 H LYS A 90 9.993 0.480 4.835 1.00 45.21 H new ATOM 0 HA LYS A 90 8.071 -0.898 6.395 1.00 60.45 H new ATOM 0 HB2 LYS A 90 10.923 0.108 6.883 1.00 71.35 H new ATOM 0 HB3 LYS A 90 10.058 -0.870 8.051 1.00 71.35 H new ATOM 0 HG2 LYS A 90 10.001 -2.769 6.550 1.00 61.52 H new ATOM 0 HG3 LYS A 90 10.582 -1.805 5.206 1.00 61.52 H new ATOM 0 HD2 LYS A 90 12.353 -3.291 6.163 1.00 4.11 H new ATOM 0 HD3 LYS A 90 12.799 -1.597 6.200 1.00 4.11 H new ATOM 0 HE2 LYS A 90 11.591 -2.905 8.658 1.00 61.25 H new ATOM 0 HE3 LYS A 90 13.291 -3.119 8.290 1.00 61.25 H new ATOM 0 HZ1 LYS A 90 13.430 -1.259 9.552 1.00 15.05 H new ATOM 0 HZ2 LYS A 90 13.144 -0.485 8.067 1.00 15.05 H new ATOM 0 HZ3 LYS A 90 11.868 -0.716 9.164 1.00 15.05 H new ATOM 1528 N ARG A 91 8.920 2.155 7.419 1.00 3.41 N ATOM 1529 CA ARG A 91 8.650 3.214 8.404 1.00 74.33 C ATOM 1530 C ARG A 91 7.171 3.631 8.386 1.00 35.45 C ATOM 1531 O ARG A 91 6.510 3.594 9.425 1.00 4.04 O ATOM 1532 CB ARG A 91 9.545 4.457 8.167 1.00 0.12 C ATOM 1533 CG ARG A 91 9.540 5.459 9.350 1.00 55.03 C ATOM 1534 CD ARG A 91 10.100 6.839 8.976 1.00 53.05 C ATOM 1535 NE ARG A 91 9.171 7.596 8.121 1.00 31.25 N ATOM 1536 CZ ARG A 91 9.329 7.828 6.810 1.00 64.00 C ATOM 1537 NH1 ARG A 91 10.380 7.348 6.141 1.00 12.22 N ATOM 1538 NH2 ARG A 91 8.432 8.560 6.178 1.00 42.53 N ATOM 0 H ARG A 91 9.630 2.402 6.730 1.00 3.41 H new ATOM 0 HA ARG A 91 8.887 2.799 9.384 1.00 74.33 H new ATOM 0 HB2 ARG A 91 10.568 4.128 7.984 1.00 0.12 H new ATOM 0 HB3 ARG A 91 9.209 4.970 7.266 1.00 0.12 H new ATOM 0 HG2 ARG A 91 8.520 5.575 9.715 1.00 55.03 H new ATOM 0 HG3 ARG A 91 10.127 5.046 10.170 1.00 55.03 H new ATOM 0 HD2 ARG A 91 10.302 7.407 9.884 1.00 53.05 H new ATOM 0 HD3 ARG A 91 11.051 6.716 8.458 1.00 53.05 H new ATOM 0 HE ARG A 91 8.335 7.977 8.564 1.00 31.25 H new ATOM 0 HH11 ARG A 91 11.083 6.792 6.627 1.00 12.22 H new ATOM 0 HH12 ARG A 91 10.479 7.537 5.144 1.00 12.22 H new ATOM 0 HH21 ARG A 91 7.634 8.940 6.687 1.00 42.53 H new ATOM 0 HH22 ARG A 91 8.537 8.746 5.181 1.00 42.53 H new ATOM 1552 N TRP A 92 6.657 3.963 7.184 1.00 44.32 N ATOM 1553 CA TRP A 92 5.248 4.366 6.991 1.00 24.30 C ATOM 1554 C TRP A 92 4.236 3.324 7.517 1.00 10.44 C ATOM 1555 O TRP A 92 3.156 3.701 7.968 1.00 0.10 O ATOM 1556 CB TRP A 92 4.955 4.642 5.498 1.00 43.33 C ATOM 1557 CG TRP A 92 5.554 5.914 4.940 1.00 75.13 C ATOM 1558 CD1 TRP A 92 6.590 6.028 4.058 1.00 71.11 C ATOM 1559 CD2 TRP A 92 5.111 7.253 5.204 1.00 3.14 C ATOM 1560 NE1 TRP A 92 6.812 7.347 3.759 1.00 35.32 N ATOM 1561 CE2 TRP A 92 5.917 8.118 4.451 1.00 21.24 C ATOM 1562 CE3 TRP A 92 4.109 7.800 6.005 1.00 1.12 C ATOM 1563 CZ2 TRP A 92 5.751 9.501 4.470 1.00 33.22 C ATOM 1564 CZ3 TRP A 92 3.940 9.173 6.025 1.00 53.12 C ATOM 1565 CH2 TRP A 92 4.762 10.012 5.263 1.00 61.10 C ATOM 0 H TRP A 92 7.204 3.960 6.323 1.00 44.32 H new ATOM 0 HA TRP A 92 5.119 5.276 7.577 1.00 24.30 H new ATOM 0 HB2 TRP A 92 5.324 3.800 4.912 1.00 43.33 H new ATOM 0 HB3 TRP A 92 3.875 4.679 5.359 1.00 43.33 H new ATOM 0 HD1 TRP A 92 7.153 5.199 3.655 1.00 71.11 H new ATOM 0 HE1 TRP A 92 7.529 7.698 3.123 1.00 35.32 H new ATOM 0 HE3 TRP A 92 3.474 7.161 6.601 1.00 1.12 H new ATOM 0 HZ2 TRP A 92 6.382 10.147 3.878 1.00 33.22 H new ATOM 0 HZ3 TRP A 92 3.162 9.604 6.638 1.00 53.12 H new ATOM 0 HH2 TRP A 92 4.612 11.081 5.302 1.00 61.10 H new ATOM 1576 N ILE A 93 4.598 2.031 7.456 1.00 62.43 N ATOM 1577 CA ILE A 93 3.728 0.923 7.902 1.00 12.13 C ATOM 1578 C ILE A 93 3.625 0.913 9.437 1.00 34.24 C ATOM 1579 O ILE A 93 2.518 0.844 10.001 1.00 54.12 O ATOM 1580 CB ILE A 93 4.269 -0.461 7.375 1.00 13.32 C ATOM 1581 CG1 ILE A 93 4.202 -0.518 5.816 1.00 64.34 C ATOM 1582 CG2 ILE A 93 3.528 -1.663 8.004 1.00 72.22 C ATOM 1583 CD1 ILE A 93 4.827 -1.757 5.208 1.00 13.43 C ATOM 0 H ILE A 93 5.501 1.722 7.097 1.00 62.43 H new ATOM 0 HA ILE A 93 2.733 1.078 7.486 1.00 12.13 H new ATOM 0 HB ILE A 93 5.311 -0.538 7.685 1.00 13.32 H new ATOM 0 HG12 ILE A 93 3.158 -0.463 5.507 1.00 64.34 H new ATOM 0 HG13 ILE A 93 4.701 0.362 5.411 1.00 64.34 H new ATOM 0 HG21 ILE A 93 3.939 -2.592 7.608 1.00 72.22 H new ATOM 0 HG22 ILE A 93 3.655 -1.643 9.086 1.00 72.22 H new ATOM 0 HG23 ILE A 93 2.467 -1.603 7.762 1.00 72.22 H new ATOM 0 HD11 ILE A 93 4.737 -1.715 4.123 1.00 13.43 H new ATOM 0 HD12 ILE A 93 5.881 -1.805 5.483 1.00 13.43 H new ATOM 0 HD13 ILE A 93 4.314 -2.644 5.581 1.00 13.43 H new ATOM 1595 N LYS A 94 4.791 0.997 10.104 1.00 61.33 N ATOM 1596 CA LYS A 94 4.878 1.028 11.578 1.00 64.23 C ATOM 1597 C LYS A 94 4.176 2.283 12.141 1.00 35.15 C ATOM 1598 O LYS A 94 3.543 2.235 13.197 1.00 44.40 O ATOM 1599 CB LYS A 94 6.372 0.980 12.006 1.00 12.44 C ATOM 1600 CG LYS A 94 6.630 0.762 13.519 1.00 4.22 C ATOM 1601 CD LYS A 94 6.087 -0.593 14.034 1.00 2.32 C ATOM 1602 CE LYS A 94 6.600 -0.952 15.443 1.00 52.21 C ATOM 1603 NZ LYS A 94 6.114 -0.013 16.496 1.00 71.34 N ATOM 0 H LYS A 94 5.698 1.045 9.639 1.00 61.33 H new ATOM 0 HA LYS A 94 4.366 0.157 11.988 1.00 64.23 H new ATOM 0 HB2 LYS A 94 6.864 0.180 11.453 1.00 12.44 H new ATOM 0 HB3 LYS A 94 6.847 1.914 11.706 1.00 12.44 H new ATOM 0 HG2 LYS A 94 7.702 0.815 13.711 1.00 4.22 H new ATOM 0 HG3 LYS A 94 6.165 1.571 14.082 1.00 4.22 H new ATOM 0 HD2 LYS A 94 4.998 -0.560 14.048 1.00 2.32 H new ATOM 0 HD3 LYS A 94 6.373 -1.381 13.338 1.00 2.32 H new ATOM 0 HE2 LYS A 94 6.283 -1.965 15.692 1.00 52.21 H new ATOM 0 HE3 LYS A 94 7.690 -0.951 15.438 1.00 52.21 H new ATOM 0 HZ1 LYS A 94 6.490 -0.304 17.421 1.00 71.34 H new ATOM 0 HZ2 LYS A 94 6.438 0.951 16.278 1.00 71.34 H new ATOM 0 HZ3 LYS A 94 5.075 -0.031 16.524 1.00 71.34 H new ATOM 1617 N GLU A 95 4.282 3.393 11.395 1.00 53.25 N ATOM 1618 CA GLU A 95 3.591 4.652 11.719 1.00 10.13 C ATOM 1619 C GLU A 95 2.064 4.516 11.508 1.00 32.12 C ATOM 1620 O GLU A 95 1.292 4.957 12.337 1.00 43.44 O ATOM 1621 CB GLU A 95 4.160 5.810 10.863 1.00 43.24 C ATOM 1622 CG GLU A 95 5.653 6.119 11.111 1.00 31.42 C ATOM 1623 CD GLU A 95 6.214 7.222 10.187 1.00 60.24 C ATOM 1624 OE1 GLU A 95 6.225 7.033 8.950 1.00 71.45 O ATOM 1625 OE2 GLU A 95 6.662 8.274 10.691 1.00 4.31 O ATOM 0 H GLU A 95 4.850 3.444 10.549 1.00 53.25 H new ATOM 0 HA GLU A 95 3.764 4.878 12.771 1.00 10.13 H new ATOM 0 HB2 GLU A 95 4.023 5.567 9.809 1.00 43.24 H new ATOM 0 HB3 GLU A 95 3.578 6.710 11.061 1.00 43.24 H new ATOM 0 HG2 GLU A 95 5.786 6.423 12.149 1.00 31.42 H new ATOM 0 HG3 GLU A 95 6.233 5.207 10.969 1.00 31.42 H new ATOM 1632 N PHE A 96 1.661 3.854 10.410 1.00 73.14 N ATOM 1633 CA PHE A 96 0.234 3.715 10.006 1.00 52.31 C ATOM 1634 C PHE A 96 -0.568 2.919 11.049 1.00 0.01 C ATOM 1635 O PHE A 96 -1.731 3.215 11.303 1.00 21.35 O ATOM 1636 CB PHE A 96 0.142 3.039 8.612 1.00 2.12 C ATOM 1637 CG PHE A 96 -1.261 2.920 7.994 1.00 63.23 C ATOM 1638 CD1 PHE A 96 -1.823 3.976 7.281 1.00 12.44 C ATOM 1639 CD2 PHE A 96 -1.996 1.737 8.098 1.00 24.21 C ATOM 1640 CE1 PHE A 96 -3.070 3.851 6.700 1.00 1.44 C ATOM 1641 CE2 PHE A 96 -3.244 1.617 7.522 1.00 43.42 C ATOM 1642 CZ PHE A 96 -3.779 2.674 6.820 1.00 15.41 C ATOM 0 H PHE A 96 2.310 3.396 9.770 1.00 73.14 H new ATOM 0 HA PHE A 96 -0.203 4.712 9.947 1.00 52.31 H new ATOM 0 HB2 PHE A 96 0.772 3.598 7.920 1.00 2.12 H new ATOM 0 HB3 PHE A 96 0.565 2.038 8.691 1.00 2.12 H new ATOM 0 HD1 PHE A 96 -1.278 4.903 7.181 1.00 12.44 H new ATOM 0 HD2 PHE A 96 -1.580 0.900 8.639 1.00 24.21 H new ATOM 0 HE1 PHE A 96 -3.492 4.679 6.149 1.00 1.44 H new ATOM 0 HE2 PHE A 96 -3.800 0.696 7.621 1.00 43.42 H new ATOM 0 HZ PHE A 96 -4.753 2.581 6.364 1.00 15.41 H new ATOM 1652 N SER A 97 0.078 1.911 11.645 1.00 32.01 N ATOM 1653 CA SER A 97 -0.541 1.074 12.680 1.00 45.24 C ATOM 1654 C SER A 97 -0.699 1.838 14.011 1.00 32.31 C ATOM 1655 O SER A 97 -1.771 1.807 14.626 1.00 43.42 O ATOM 1656 CB SER A 97 0.295 -0.198 12.879 1.00 51.44 C ATOM 1657 OG SER A 97 1.650 0.105 13.159 1.00 72.11 O ATOM 0 H SER A 97 1.040 1.653 11.425 1.00 32.01 H new ATOM 0 HA SER A 97 -1.542 0.800 12.347 1.00 45.24 H new ATOM 0 HB2 SER A 97 -0.123 -0.784 13.697 1.00 51.44 H new ATOM 0 HB3 SER A 97 0.238 -0.815 11.982 1.00 51.44 H new ATOM 0 HG SER A 97 1.775 1.077 13.157 1.00 72.11 H new