USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 653 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 46 LYS NZ :NH3+ 152:sc= 2.49 (180deg=0.345) USER MOD Set 1.2: A 50 SER OG : rot 102:sc= 2.34 USER MOD Set 2.1: A 45 LYS NZ :NH3+ -114:sc= 1.86 (180deg=-0.00159) USER MOD Set 2.2: A 59 MET CE :methyl 151:sc= 0 (180deg=-0.303) USER MOD Single : A 23 LYS NZ :NH3+ -141:sc= 2.13 (180deg=1.02) USER MOD Single : A 25 LYS NZ :NH3+ -178:sc= 1.23 (180deg=1.19) USER MOD Single : A 29 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.33) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -141:sc= 0.642 USER MOD Single : A 35 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.14) USER MOD Single : A 37 LYS NZ :NH3+ 174:sc= 1.17 (180deg=0.976) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 156:sc=-0.00618 (180deg=-0.201) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -160:sc= -1.27 USER MOD Single : A 43 HIS : no HE2:sc= -0.87 X(o=-0.87,f=-0.69) USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= 2.35 (180deg=2.14) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 56:sc= 1.23 USER MOD Single : A 53 GLN : amide:sc= -1.77! C(o=-1.8!,f=-4.3!) USER MOD Single : A 55 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.17) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -87:sc= 1.22 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 74 ASN : amide:sc= 0.0406 K(o=0.041,f=-0.94) USER MOD Single : A 75 HIS : no HD1:sc= -1.95 X(o=-2,f=-2.3) USER MOD Single : A 76 THR OG1 : rot -25:sc= 0.426 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 159:sc= 1.23 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0451 USER MOD ----------------------------------------------------------------- ATOM 22 N ILE A 22 2.975 -8.199 4.573 1.00 1.66 N ATOM 23 CA ILE A 22 4.380 -7.817 4.568 1.00 1.60 C ATOM 24 C ILE A 22 4.534 -6.385 4.073 1.00 1.48 C ATOM 25 O ILE A 22 3.910 -5.993 3.091 1.00 1.43 O ATOM 26 CB ILE A 22 5.217 -8.765 3.677 1.00 1.60 C ATOM 27 CG1 ILE A 22 5.013 -10.224 4.104 1.00 1.81 C ATOM 28 CG2 ILE A 22 6.696 -8.397 3.733 1.00 1.58 C ATOM 29 CD1 ILE A 22 5.479 -10.521 5.514 1.00 1.99 C ATOM 0 HA ILE A 22 4.748 -7.891 5.591 1.00 1.60 H new ATOM 0 HB ILE A 22 4.876 -8.653 2.648 1.00 1.60 H new ATOM 0 HG12 ILE A 22 3.955 -10.472 4.022 1.00 1.81 H new ATOM 0 HG13 ILE A 22 5.547 -10.873 3.411 1.00 1.81 H new ATOM 0 HG21 ILE A 22 7.264 -9.077 3.099 1.00 1.58 H new ATOM 0 HG22 ILE A 22 6.830 -7.374 3.380 1.00 1.58 H new ATOM 0 HG23 ILE A 22 7.052 -8.476 4.760 1.00 1.58 H new ATOM 0 HD11 ILE A 22 5.302 -11.572 5.742 1.00 1.99 H new ATOM 0 HD12 ILE A 22 6.544 -10.306 5.598 1.00 1.99 H new ATOM 0 HD13 ILE A 22 4.927 -9.899 6.218 1.00 1.99 H new ATOM 41 N LYS A 23 5.346 -5.599 4.755 1.00 1.47 N ATOM 42 CA LYS A 23 5.550 -4.217 4.362 1.00 1.39 C ATOM 43 C LYS A 23 6.980 -3.975 3.886 1.00 1.34 C ATOM 44 O LYS A 23 7.944 -4.184 4.624 1.00 1.48 O ATOM 45 CB LYS A 23 5.223 -3.289 5.529 1.00 1.51 C ATOM 46 CG LYS A 23 5.265 -1.814 5.169 1.00 1.98 C ATOM 47 CD LYS A 23 5.516 -0.950 6.393 1.00 2.61 C ATOM 48 CE LYS A 23 6.971 -1.007 6.831 1.00 3.07 C ATOM 49 NZ LYS A 23 7.172 -1.910 7.994 1.00 2.83 N ATOM 0 H LYS A 23 5.872 -5.891 5.579 1.00 1.47 H new ATOM 0 HA LYS A 23 4.880 -4.003 3.529 1.00 1.39 H new ATOM 0 HB2 LYS A 23 4.231 -3.533 5.908 1.00 1.51 H new ATOM 0 HB3 LYS A 23 5.928 -3.476 6.339 1.00 1.51 H new ATOM 0 HG2 LYS A 23 6.049 -1.640 4.432 1.00 1.98 H new ATOM 0 HG3 LYS A 23 4.322 -1.525 4.705 1.00 1.98 H new ATOM 0 HD2 LYS A 23 5.242 0.082 6.173 1.00 2.61 H new ATOM 0 HD3 LYS A 23 4.876 -1.282 7.211 1.00 2.61 H new ATOM 0 HE2 LYS A 23 7.586 -1.347 5.998 1.00 3.07 H new ATOM 0 HE3 LYS A 23 7.311 -0.004 7.089 1.00 3.07 H new ATOM 0 HZ1 LYS A 23 7.867 -1.490 8.644 1.00 2.83 H new ATOM 0 HZ2 LYS A 23 6.268 -2.041 8.492 1.00 2.83 H new ATOM 0 HZ3 LYS A 23 7.521 -2.831 7.662 1.00 2.83 H new ATOM 63 N LEU A 24 7.105 -3.539 2.641 1.00 1.21 N ATOM 64 CA LEU A 24 8.399 -3.237 2.053 1.00 1.21 C ATOM 65 C LEU A 24 8.583 -1.726 2.000 1.00 1.21 C ATOM 66 O LEU A 24 7.608 -0.987 1.913 1.00 1.15 O ATOM 67 CB LEU A 24 8.506 -3.821 0.638 1.00 1.15 C ATOM 68 CG LEU A 24 8.122 -5.299 0.499 1.00 1.18 C ATOM 69 CD1 LEU A 24 8.261 -5.753 -0.947 1.00 1.15 C ATOM 70 CD2 LEU A 24 8.976 -6.170 1.410 1.00 1.36 C ATOM 0 H LEU A 24 6.316 -3.386 2.014 1.00 1.21 H new ATOM 0 HA LEU A 24 9.179 -3.687 2.668 1.00 1.21 H new ATOM 0 HB2 LEU A 24 7.870 -3.235 -0.026 1.00 1.15 H new ATOM 0 HB3 LEU A 24 9.531 -3.696 0.290 1.00 1.15 H new ATOM 0 HG LEU A 24 7.080 -5.407 0.800 1.00 1.18 H new ATOM 0 HD11 LEU A 24 7.984 -6.804 -1.026 1.00 1.15 H new ATOM 0 HD12 LEU A 24 7.605 -5.156 -1.580 1.00 1.15 H new ATOM 0 HD13 LEU A 24 9.294 -5.624 -1.271 1.00 1.15 H new ATOM 0 HD21 LEU A 24 8.685 -7.214 1.293 1.00 1.36 H new ATOM 0 HD22 LEU A 24 10.027 -6.055 1.144 1.00 1.36 H new ATOM 0 HD23 LEU A 24 8.829 -5.866 2.446 1.00 1.36 H new ATOM 82 N LYS A 25 9.817 -1.258 2.084 1.00 1.36 N ATOM 83 CA LYS A 25 10.079 0.173 2.037 1.00 1.42 C ATOM 84 C LYS A 25 10.631 0.579 0.678 1.00 1.43 C ATOM 85 O LYS A 25 11.669 0.076 0.244 1.00 1.55 O ATOM 86 CB LYS A 25 11.054 0.582 3.142 1.00 1.62 C ATOM 87 CG LYS A 25 10.410 0.665 4.516 1.00 1.51 C ATOM 88 CD LYS A 25 11.394 1.164 5.562 1.00 1.67 C ATOM 89 CE LYS A 25 11.929 2.546 5.215 1.00 2.04 C ATOM 90 NZ LYS A 25 12.761 3.114 6.304 1.00 2.70 N ATOM 0 H LYS A 25 10.648 -1.841 2.184 1.00 1.36 H new ATOM 0 HA LYS A 25 9.133 0.691 2.196 1.00 1.42 H new ATOM 0 HB2 LYS A 25 11.874 -0.135 3.176 1.00 1.62 H new ATOM 0 HB3 LYS A 25 11.488 1.551 2.893 1.00 1.62 H new ATOM 0 HG2 LYS A 25 9.550 1.333 4.476 1.00 1.51 H new ATOM 0 HG3 LYS A 25 10.037 -0.318 4.805 1.00 1.51 H new ATOM 0 HD2 LYS A 25 10.905 1.197 6.536 1.00 1.67 H new ATOM 0 HD3 LYS A 25 12.224 0.462 5.645 1.00 1.67 H new ATOM 0 HE2 LYS A 25 12.521 2.486 4.302 1.00 2.04 H new ATOM 0 HE3 LYS A 25 11.094 3.216 5.011 1.00 2.04 H new ATOM 0 HZ1 LYS A 25 13.076 4.069 6.038 1.00 2.70 H new ATOM 0 HZ2 LYS A 25 12.201 3.165 7.179 1.00 2.70 H new ATOM 0 HZ3 LYS A 25 13.591 2.507 6.460 1.00 2.70 H new ATOM 104 N VAL A 26 9.928 1.486 0.015 1.00 1.35 N ATOM 105 CA VAL A 26 10.331 1.973 -1.296 1.00 1.41 C ATOM 106 C VAL A 26 11.172 3.234 -1.147 1.00 1.60 C ATOM 107 O VAL A 26 10.716 4.227 -0.573 1.00 1.62 O ATOM 108 CB VAL A 26 9.113 2.286 -2.190 1.00 1.32 C ATOM 109 CG1 VAL A 26 9.543 2.467 -3.639 1.00 1.46 C ATOM 110 CG2 VAL A 26 8.063 1.191 -2.073 1.00 1.13 C ATOM 0 H VAL A 26 9.067 1.903 0.368 1.00 1.35 H new ATOM 0 HA VAL A 26 10.914 1.184 -1.771 1.00 1.41 H new ATOM 0 HB VAL A 26 8.669 3.220 -1.846 1.00 1.32 H new ATOM 0 HG11 VAL A 26 8.670 2.687 -4.253 1.00 1.46 H new ATOM 0 HG12 VAL A 26 10.252 3.292 -3.708 1.00 1.46 H new ATOM 0 HG13 VAL A 26 10.016 1.552 -3.995 1.00 1.46 H new ATOM 0 HG21 VAL A 26 7.213 1.432 -2.712 1.00 1.13 H new ATOM 0 HG22 VAL A 26 8.493 0.239 -2.385 1.00 1.13 H new ATOM 0 HG23 VAL A 26 7.729 1.116 -1.038 1.00 1.13 H new ATOM 120 N ILE A 27 12.395 3.193 -1.655 1.00 1.78 N ATOM 121 CA ILE A 27 13.290 4.336 -1.561 1.00 1.99 C ATOM 122 C ILE A 27 13.374 5.074 -2.889 1.00 2.13 C ATOM 123 O ILE A 27 13.753 4.497 -3.912 1.00 2.21 O ATOM 124 CB ILE A 27 14.708 3.911 -1.127 1.00 2.15 C ATOM 125 CG1 ILE A 27 14.647 3.061 0.145 1.00 2.07 C ATOM 126 CG2 ILE A 27 15.594 5.132 -0.911 1.00 2.39 C ATOM 127 CD1 ILE A 27 13.967 3.744 1.312 1.00 2.07 C ATOM 0 H ILE A 27 12.789 2.384 -2.135 1.00 1.78 H new ATOM 0 HA ILE A 27 12.875 5.001 -0.804 1.00 1.99 H new ATOM 0 HB ILE A 27 15.144 3.309 -1.925 1.00 2.15 H new ATOM 0 HG12 ILE A 27 14.120 2.133 -0.076 1.00 2.07 H new ATOM 0 HG13 ILE A 27 15.662 2.790 0.437 1.00 2.07 H new ATOM 0 HG21 ILE A 27 16.589 4.810 -0.605 1.00 2.39 H new ATOM 0 HG22 ILE A 27 15.665 5.699 -1.839 1.00 2.39 H new ATOM 0 HG23 ILE A 27 15.162 5.762 -0.133 1.00 2.39 H new ATOM 0 HD11 ILE A 27 13.965 3.076 2.173 1.00 2.07 H new ATOM 0 HD12 ILE A 27 14.505 4.658 1.563 1.00 2.07 H new ATOM 0 HD13 ILE A 27 12.940 3.990 1.041 1.00 2.07 H new ATOM 139 N GLY A 28 13.004 6.343 -2.863 1.00 2.21 N ATOM 140 CA GLY A 28 13.053 7.157 -4.059 1.00 2.40 C ATOM 141 C GLY A 28 14.328 7.973 -4.126 1.00 2.63 C ATOM 142 O GLY A 28 15.050 8.080 -3.131 1.00 2.64 O ATOM 0 H GLY A 28 12.669 6.827 -2.030 1.00 2.21 H new ATOM 0 HA2 GLY A 28 12.983 6.517 -4.939 1.00 2.40 H new ATOM 0 HA3 GLY A 28 12.192 7.824 -4.081 1.00 2.40 H new ATOM 146 N GLN A 29 14.601 8.563 -5.282 1.00 2.84 N ATOM 147 CA GLN A 29 15.807 9.365 -5.463 1.00 3.07 C ATOM 148 C GLN A 29 15.645 10.734 -4.811 1.00 3.11 C ATOM 149 O GLN A 29 16.624 11.431 -4.543 1.00 3.26 O ATOM 150 CB GLN A 29 16.137 9.519 -6.949 1.00 3.28 C ATOM 151 CG GLN A 29 17.517 10.105 -7.207 1.00 3.53 C ATOM 152 CD GLN A 29 18.613 9.352 -6.481 1.00 3.59 C ATOM 153 OE1 GLN A 29 19.173 8.389 -7.006 1.00 3.73 O ATOM 154 NE2 GLN A 29 18.920 9.779 -5.266 1.00 3.52 N ATOM 0 H GLN A 29 14.006 8.503 -6.108 1.00 2.84 H new ATOM 0 HA GLN A 29 16.635 8.847 -4.978 1.00 3.07 H new ATOM 0 HB2 GLN A 29 16.069 8.544 -7.431 1.00 3.28 H new ATOM 0 HB3 GLN A 29 15.387 10.158 -7.415 1.00 3.28 H new ATOM 0 HG2 GLN A 29 17.719 10.091 -8.278 1.00 3.53 H new ATOM 0 HG3 GLN A 29 17.529 11.149 -6.894 1.00 3.53 H new ATOM 0 HE21 GLN A 29 18.431 10.581 -4.869 1.00 3.52 H new ATOM 0 HE22 GLN A 29 19.646 9.306 -4.727 1.00 3.52 H new ATOM 163 N ASP A 30 14.404 11.108 -4.538 1.00 3.01 N ATOM 164 CA ASP A 30 14.108 12.390 -3.907 1.00 3.07 C ATOM 165 C ASP A 30 14.200 12.268 -2.385 1.00 2.98 C ATOM 166 O ASP A 30 13.648 13.090 -1.650 1.00 3.01 O ATOM 167 CB ASP A 30 12.714 12.886 -4.320 1.00 3.06 C ATOM 168 CG ASP A 30 11.620 11.869 -4.049 1.00 2.89 C ATOM 169 OD1 ASP A 30 11.462 10.927 -4.857 1.00 2.77 O ATOM 170 OD2 ASP A 30 10.916 11.998 -3.030 1.00 2.90 O ATOM 0 H ASP A 30 13.581 10.541 -4.744 1.00 3.01 H new ATOM 0 HA ASP A 30 14.846 13.118 -4.243 1.00 3.07 H new ATOM 0 HB2 ASP A 30 12.488 13.807 -3.783 1.00 3.06 H new ATOM 0 HB3 ASP A 30 12.721 13.130 -5.382 1.00 3.06 H new ATOM 175 N SER A 31 14.921 11.239 -1.931 1.00 2.89 N ATOM 176 CA SER A 31 15.114 10.969 -0.509 1.00 2.82 C ATOM 177 C SER A 31 13.774 10.755 0.192 1.00 2.62 C ATOM 178 O SER A 31 13.366 11.538 1.057 1.00 2.65 O ATOM 179 CB SER A 31 15.906 12.104 0.149 1.00 3.05 C ATOM 180 OG SER A 31 17.062 12.419 -0.612 1.00 3.25 O ATOM 0 H SER A 31 15.387 10.570 -2.543 1.00 2.89 H new ATOM 0 HA SER A 31 15.691 10.050 -0.409 1.00 2.82 H new ATOM 0 HB2 SER A 31 15.275 12.988 0.242 1.00 3.05 H new ATOM 0 HB3 SER A 31 16.198 11.813 1.158 1.00 3.05 H new ATOM 0 HG SER A 31 17.552 13.147 -0.176 1.00 3.25 H new ATOM 186 N SER A 32 13.087 9.696 -0.204 1.00 2.47 N ATOM 187 CA SER A 32 11.801 9.357 0.370 1.00 2.32 C ATOM 188 C SER A 32 11.724 7.867 0.658 1.00 2.11 C ATOM 189 O SER A 32 12.280 7.054 -0.086 1.00 2.13 O ATOM 190 CB SER A 32 10.682 9.760 -0.584 1.00 2.33 C ATOM 191 OG SER A 32 11.103 9.630 -1.929 1.00 2.38 O ATOM 0 H SER A 32 13.405 9.052 -0.928 1.00 2.47 H new ATOM 0 HA SER A 32 11.685 9.900 1.308 1.00 2.32 H new ATOM 0 HB2 SER A 32 9.806 9.136 -0.410 1.00 2.33 H new ATOM 0 HB3 SER A 32 10.384 10.790 -0.389 1.00 2.33 H new ATOM 0 HG SER A 32 10.744 10.373 -2.457 1.00 2.38 H new ATOM 197 N GLU A 33 11.049 7.521 1.739 1.00 2.01 N ATOM 198 CA GLU A 33 10.890 6.134 2.135 1.00 1.87 C ATOM 199 C GLU A 33 9.411 5.825 2.315 1.00 1.79 C ATOM 200 O GLU A 33 8.844 6.061 3.380 1.00 2.00 O ATOM 201 CB GLU A 33 11.661 5.870 3.433 1.00 1.98 C ATOM 202 CG GLU A 33 12.941 6.680 3.529 1.00 2.57 C ATOM 203 CD GLU A 33 13.764 6.361 4.757 1.00 2.75 C ATOM 204 OE1 GLU A 33 13.874 5.171 5.117 1.00 2.99 O ATOM 205 OE2 GLU A 33 14.318 7.301 5.359 1.00 2.98 O ATOM 0 H GLU A 33 10.598 8.189 2.364 1.00 2.01 H new ATOM 0 HA GLU A 33 11.293 5.483 1.359 1.00 1.87 H new ATOM 0 HB2 GLU A 33 11.022 6.105 4.284 1.00 1.98 H new ATOM 0 HB3 GLU A 33 11.902 4.809 3.499 1.00 1.98 H new ATOM 0 HG2 GLU A 33 13.544 6.499 2.639 1.00 2.57 H new ATOM 0 HG3 GLU A 33 12.691 7.741 3.534 1.00 2.57 H new ATOM 212 N ILE A 34 8.795 5.307 1.268 1.00 1.58 N ATOM 213 CA ILE A 34 7.374 4.994 1.294 1.00 1.50 C ATOM 214 C ILE A 34 7.141 3.564 1.765 1.00 1.38 C ATOM 215 O ILE A 34 7.945 2.673 1.487 1.00 1.31 O ATOM 216 CB ILE A 34 6.737 5.176 -0.104 1.00 1.46 C ATOM 217 CG1 ILE A 34 7.249 6.460 -0.779 1.00 1.71 C ATOM 218 CG2 ILE A 34 5.219 5.202 -0.002 1.00 1.41 C ATOM 219 CD1 ILE A 34 6.803 7.736 -0.092 1.00 1.81 C ATOM 0 H ILE A 34 9.257 5.093 0.384 1.00 1.58 H new ATOM 0 HA ILE A 34 6.904 5.686 1.993 1.00 1.50 H new ATOM 0 HB ILE A 34 7.030 4.326 -0.720 1.00 1.46 H new ATOM 0 HG12 ILE A 34 8.338 6.435 -0.805 1.00 1.71 H new ATOM 0 HG13 ILE A 34 6.905 6.477 -1.813 1.00 1.71 H new ATOM 0 HG21 ILE A 34 4.790 5.331 -0.996 1.00 1.41 H new ATOM 0 HG22 ILE A 34 4.867 4.264 0.427 1.00 1.41 H new ATOM 0 HG23 ILE A 34 4.911 6.030 0.636 1.00 1.41 H new ATOM 0 HD11 ILE A 34 7.204 8.597 -0.627 1.00 1.81 H new ATOM 0 HD12 ILE A 34 5.714 7.786 -0.089 1.00 1.81 H new ATOM 0 HD13 ILE A 34 7.170 7.744 0.935 1.00 1.81 H new ATOM 231 N HIS A 35 6.051 3.347 2.489 1.00 1.41 N ATOM 232 CA HIS A 35 5.710 2.019 2.972 1.00 1.33 C ATOM 233 C HIS A 35 4.863 1.314 1.920 1.00 1.23 C ATOM 234 O HIS A 35 3.929 1.897 1.387 1.00 1.29 O ATOM 235 CB HIS A 35 4.943 2.107 4.295 1.00 1.46 C ATOM 236 CG HIS A 35 5.728 2.692 5.430 1.00 1.58 C ATOM 237 ND1 HIS A 35 5.205 3.581 6.343 1.00 1.91 N ATOM 238 CD2 HIS A 35 7.017 2.489 5.804 1.00 1.83 C ATOM 239 CE1 HIS A 35 6.164 3.881 7.223 1.00 2.04 C ATOM 240 NE2 HIS A 35 7.287 3.244 6.944 1.00 2.02 N ATOM 0 H HIS A 35 5.388 4.076 2.754 1.00 1.41 H new ATOM 0 HA HIS A 35 6.625 1.453 3.149 1.00 1.33 H new ATOM 0 HB2 HIS A 35 4.047 2.708 4.142 1.00 1.46 H new ATOM 0 HB3 HIS A 35 4.612 1.107 4.576 1.00 1.46 H new ATOM 0 HD2 HIS A 35 7.721 1.845 5.299 1.00 1.83 H new ATOM 0 HE1 HIS A 35 6.038 4.557 8.055 1.00 2.04 H new ATOM 0 HE2 HIS A 35 8.168 3.294 7.456 1.00 2.02 H new ATOM 248 N PHE A 36 5.194 0.073 1.611 1.00 1.15 N ATOM 249 CA PHE A 36 4.456 -0.676 0.606 1.00 1.06 C ATOM 250 C PHE A 36 3.912 -1.973 1.187 1.00 1.12 C ATOM 251 O PHE A 36 4.671 -2.888 1.507 1.00 1.18 O ATOM 252 CB PHE A 36 5.376 -0.974 -0.585 1.00 0.98 C ATOM 253 CG PHE A 36 4.671 -1.331 -1.870 1.00 0.94 C ATOM 254 CD1 PHE A 36 3.375 -1.825 -1.871 1.00 1.06 C ATOM 255 CD2 PHE A 36 5.319 -1.167 -3.084 1.00 1.25 C ATOM 256 CE1 PHE A 36 2.745 -2.149 -3.054 1.00 1.30 C ATOM 257 CE2 PHE A 36 4.692 -1.489 -4.271 1.00 1.53 C ATOM 258 CZ PHE A 36 3.403 -1.980 -4.256 1.00 1.49 C ATOM 0 H PHE A 36 5.966 -0.437 2.039 1.00 1.15 H new ATOM 0 HA PHE A 36 3.610 -0.076 0.271 1.00 1.06 H new ATOM 0 HB2 PHE A 36 6.004 -0.102 -0.765 1.00 0.98 H new ATOM 0 HB3 PHE A 36 6.040 -1.795 -0.314 1.00 0.98 H new ATOM 0 HD1 PHE A 36 2.853 -1.957 -0.935 1.00 1.06 H new ATOM 0 HD2 PHE A 36 6.328 -0.782 -3.102 1.00 1.25 H new ATOM 0 HE1 PHE A 36 1.736 -2.535 -3.040 1.00 1.30 H new ATOM 0 HE2 PHE A 36 5.210 -1.357 -5.210 1.00 1.53 H new ATOM 0 HZ PHE A 36 2.909 -2.232 -5.183 1.00 1.49 H new ATOM 268 N LYS A 37 2.600 -2.035 1.335 1.00 1.21 N ATOM 269 CA LYS A 37 1.950 -3.231 1.854 1.00 1.34 C ATOM 270 C LYS A 37 1.773 -4.272 0.750 1.00 1.28 C ATOM 271 O LYS A 37 0.977 -4.081 -0.172 1.00 1.35 O ATOM 272 CB LYS A 37 0.591 -2.869 2.440 1.00 1.57 C ATOM 273 CG LYS A 37 0.184 -3.731 3.618 1.00 1.77 C ATOM 274 CD LYS A 37 -1.129 -3.259 4.211 1.00 2.07 C ATOM 275 CE LYS A 37 -0.997 -1.889 4.864 1.00 2.14 C ATOM 276 NZ LYS A 37 -2.309 -1.379 5.335 1.00 2.40 N ATOM 0 H LYS A 37 1.962 -1.273 1.104 1.00 1.21 H new ATOM 0 HA LYS A 37 2.582 -3.655 2.635 1.00 1.34 H new ATOM 0 HB2 LYS A 37 0.607 -1.825 2.754 1.00 1.57 H new ATOM 0 HB3 LYS A 37 -0.165 -2.955 1.660 1.00 1.57 H new ATOM 0 HG2 LYS A 37 0.090 -4.769 3.298 1.00 1.77 H new ATOM 0 HG3 LYS A 37 0.962 -3.702 4.380 1.00 1.77 H new ATOM 0 HD2 LYS A 37 -1.887 -3.217 3.428 1.00 2.07 H new ATOM 0 HD3 LYS A 37 -1.474 -3.982 4.950 1.00 2.07 H new ATOM 0 HE2 LYS A 37 -0.307 -1.951 5.705 1.00 2.14 H new ATOM 0 HE3 LYS A 37 -0.567 -1.185 4.151 1.00 2.14 H new ATOM 0 HZ1 LYS A 37 -2.168 -0.494 5.863 1.00 2.40 H new ATOM 0 HZ2 LYS A 37 -2.926 -1.200 4.517 1.00 2.40 H new ATOM 0 HZ3 LYS A 37 -2.754 -2.085 5.955 1.00 2.40 H new ATOM 290 N VAL A 38 2.516 -5.366 0.845 1.00 1.24 N ATOM 291 CA VAL A 38 2.431 -6.434 -0.138 1.00 1.25 C ATOM 292 C VAL A 38 1.869 -7.704 0.500 1.00 1.39 C ATOM 293 O VAL A 38 1.972 -7.907 1.712 1.00 1.48 O ATOM 294 CB VAL A 38 3.805 -6.741 -0.782 1.00 1.19 C ATOM 295 CG1 VAL A 38 4.389 -5.494 -1.433 1.00 1.57 C ATOM 296 CG2 VAL A 38 4.777 -7.317 0.239 1.00 1.27 C ATOM 0 H VAL A 38 3.186 -5.536 1.595 1.00 1.24 H new ATOM 0 HA VAL A 38 1.759 -6.092 -0.925 1.00 1.25 H new ATOM 0 HB VAL A 38 3.647 -7.492 -1.556 1.00 1.19 H new ATOM 0 HG11 VAL A 38 5.354 -5.734 -1.879 1.00 1.57 H new ATOM 0 HG12 VAL A 38 3.711 -5.136 -2.208 1.00 1.57 H new ATOM 0 HG13 VAL A 38 4.521 -4.718 -0.679 1.00 1.57 H new ATOM 0 HG21 VAL A 38 5.733 -7.522 -0.244 1.00 1.27 H new ATOM 0 HG22 VAL A 38 4.925 -6.599 1.046 1.00 1.27 H new ATOM 0 HG23 VAL A 38 4.370 -8.243 0.647 1.00 1.27 H new ATOM 306 N LYS A 39 1.263 -8.553 -0.315 1.00 1.43 N ATOM 307 CA LYS A 39 0.684 -9.791 0.175 1.00 1.60 C ATOM 308 C LYS A 39 1.546 -10.976 -0.245 1.00 1.60 C ATOM 309 O LYS A 39 1.859 -11.139 -1.426 1.00 1.49 O ATOM 310 CB LYS A 39 -0.745 -9.950 -0.353 1.00 1.69 C ATOM 311 CG LYS A 39 -1.494 -11.129 0.243 1.00 2.00 C ATOM 312 CD LYS A 39 -2.994 -11.010 0.021 1.00 2.35 C ATOM 313 CE LYS A 39 -3.740 -12.186 0.637 1.00 2.74 C ATOM 314 NZ LYS A 39 -5.127 -11.821 1.034 1.00 3.20 N ATOM 0 H LYS A 39 1.160 -8.406 -1.319 1.00 1.43 H new ATOM 0 HA LYS A 39 0.648 -9.759 1.264 1.00 1.60 H new ATOM 0 HB2 LYS A 39 -1.302 -9.036 -0.146 1.00 1.69 H new ATOM 0 HB3 LYS A 39 -0.711 -10.064 -1.436 1.00 1.69 H new ATOM 0 HG2 LYS A 39 -1.132 -12.055 -0.204 1.00 2.00 H new ATOM 0 HG3 LYS A 39 -1.287 -11.189 1.312 1.00 2.00 H new ATOM 0 HD2 LYS A 39 -3.355 -10.079 0.457 1.00 2.35 H new ATOM 0 HD3 LYS A 39 -3.203 -10.964 -1.048 1.00 2.35 H new ATOM 0 HE2 LYS A 39 -3.772 -13.009 -0.077 1.00 2.74 H new ATOM 0 HE3 LYS A 39 -3.195 -12.543 1.511 1.00 2.74 H new ATOM 0 HZ1 LYS A 39 -5.599 -12.650 1.449 1.00 3.20 H new ATOM 0 HZ2 LYS A 39 -5.097 -11.053 1.735 1.00 3.20 H new ATOM 0 HZ3 LYS A 39 -5.656 -11.504 0.196 1.00 3.20 H new ATOM 328 N MET A 40 1.924 -11.800 0.725 1.00 1.76 N ATOM 329 CA MET A 40 2.757 -12.965 0.459 1.00 1.82 C ATOM 330 C MET A 40 1.943 -14.062 -0.220 1.00 1.89 C ATOM 331 O MET A 40 1.410 -14.952 0.439 1.00 2.06 O ATOM 332 CB MET A 40 3.374 -13.488 1.763 1.00 2.01 C ATOM 333 CG MET A 40 4.267 -14.705 1.577 1.00 1.99 C ATOM 334 SD MET A 40 5.774 -14.332 0.657 1.00 2.53 S ATOM 335 CE MET A 40 6.754 -13.524 1.922 1.00 3.01 C ATOM 0 H MET A 40 1.666 -11.682 1.705 1.00 1.76 H new ATOM 0 HA MET A 40 3.562 -12.667 -0.213 1.00 1.82 H new ATOM 0 HB2 MET A 40 3.956 -12.690 2.224 1.00 2.01 H new ATOM 0 HB3 MET A 40 2.572 -13.740 2.457 1.00 2.01 H new ATOM 0 HG2 MET A 40 4.534 -15.107 2.554 1.00 1.99 H new ATOM 0 HG3 MET A 40 3.710 -15.482 1.054 1.00 1.99 H new ATOM 0 HE1 MET A 40 7.812 -13.614 1.675 1.00 3.01 H new ATOM 0 HE2 MET A 40 6.482 -12.470 1.975 1.00 3.01 H new ATOM 0 HE3 MET A 40 6.565 -13.996 2.886 1.00 3.01 H new ATOM 345 N THR A 41 1.861 -13.964 -1.545 1.00 1.77 N ATOM 346 CA THR A 41 1.139 -14.910 -2.399 1.00 1.85 C ATOM 347 C THR A 41 0.715 -14.201 -3.679 1.00 1.77 C ATOM 348 O THR A 41 0.442 -14.838 -4.695 1.00 1.92 O ATOM 349 CB THR A 41 -0.112 -15.536 -1.721 1.00 1.99 C ATOM 350 OG1 THR A 41 -0.571 -16.667 -2.477 1.00 2.21 O ATOM 351 CG2 THR A 41 -1.247 -14.526 -1.578 1.00 2.21 C ATOM 0 H THR A 41 2.304 -13.209 -2.068 1.00 1.77 H new ATOM 0 HA THR A 41 1.824 -15.732 -2.607 1.00 1.85 H new ATOM 0 HB THR A 41 0.185 -15.854 -0.722 1.00 1.99 H new ATOM 0 HG1 THR A 41 -1.358 -17.055 -2.040 1.00 2.21 H new ATOM 0 HG21 THR A 41 -2.102 -15.004 -1.100 1.00 2.21 H new ATOM 0 HG22 THR A 41 -0.913 -13.687 -0.968 1.00 2.21 H new ATOM 0 HG23 THR A 41 -1.539 -14.164 -2.564 1.00 2.21 H new ATOM 359 N THR A 42 0.669 -12.877 -3.619 1.00 1.62 N ATOM 360 CA THR A 42 0.283 -12.073 -4.761 1.00 1.60 C ATOM 361 C THR A 42 1.480 -11.827 -5.672 1.00 1.48 C ATOM 362 O THR A 42 2.576 -11.522 -5.200 1.00 1.35 O ATOM 363 CB THR A 42 -0.320 -10.731 -4.302 1.00 1.58 C ATOM 364 OG1 THR A 42 -1.336 -10.978 -3.318 1.00 1.63 O ATOM 365 CG2 THR A 42 -0.918 -9.964 -5.473 1.00 1.75 C ATOM 0 H THR A 42 0.897 -12.338 -2.784 1.00 1.62 H new ATOM 0 HA THR A 42 -0.475 -12.621 -5.321 1.00 1.60 H new ATOM 0 HB THR A 42 0.478 -10.125 -3.873 1.00 1.58 H new ATOM 0 HG1 THR A 42 -1.928 -10.199 -3.256 1.00 1.63 H new ATOM 0 HG21 THR A 42 -1.335 -9.022 -5.116 1.00 1.75 H new ATOM 0 HG22 THR A 42 -0.141 -9.761 -6.210 1.00 1.75 H new ATOM 0 HG23 THR A 42 -1.707 -10.559 -5.933 1.00 1.75 H new ATOM 373 N HIS A 43 1.263 -11.988 -6.972 1.00 1.61 N ATOM 374 CA HIS A 43 2.309 -11.781 -7.963 1.00 1.65 C ATOM 375 C HIS A 43 2.784 -10.336 -7.928 1.00 1.48 C ATOM 376 O HIS A 43 1.965 -9.412 -7.927 1.00 1.33 O ATOM 377 CB HIS A 43 1.784 -12.116 -9.361 1.00 1.90 C ATOM 378 CG HIS A 43 2.619 -13.114 -10.101 1.00 1.95 C ATOM 379 ND1 HIS A 43 2.122 -13.970 -11.059 1.00 2.43 N ATOM 380 CD2 HIS A 43 3.948 -13.383 -10.012 1.00 2.01 C ATOM 381 CE1 HIS A 43 3.136 -14.716 -11.509 1.00 2.36 C ATOM 382 NE2 HIS A 43 4.267 -14.399 -10.908 1.00 2.09 N ATOM 0 H HIS A 43 0.363 -12.264 -7.366 1.00 1.61 H new ATOM 0 HA HIS A 43 3.146 -12.439 -7.729 1.00 1.65 H new ATOM 0 HB2 HIS A 43 0.768 -12.501 -9.274 1.00 1.90 H new ATOM 0 HB3 HIS A 43 1.728 -11.198 -9.947 1.00 1.90 H new ATOM 0 HD1 HIS A 43 1.152 -14.025 -11.370 1.00 2.43 H new ATOM 0 HD2 HIS A 43 4.645 -12.888 -9.352 1.00 2.01 H new ATOM 0 HE1 HIS A 43 3.042 -15.480 -12.267 1.00 2.36 H new ATOM 390 N LEU A 44 4.098 -10.139 -7.917 1.00 1.56 N ATOM 391 CA LEU A 44 4.668 -8.797 -7.877 1.00 1.47 C ATOM 392 C LEU A 44 4.268 -8.001 -9.114 1.00 1.45 C ATOM 393 O LEU A 44 4.346 -6.773 -9.120 1.00 1.45 O ATOM 394 CB LEU A 44 6.190 -8.859 -7.733 1.00 1.65 C ATOM 395 CG LEU A 44 6.683 -9.200 -6.323 1.00 1.77 C ATOM 396 CD1 LEU A 44 8.164 -9.542 -6.339 1.00 1.89 C ATOM 397 CD2 LEU A 44 6.413 -8.044 -5.368 1.00 1.80 C ATOM 0 H LEU A 44 4.788 -10.890 -7.935 1.00 1.56 H new ATOM 0 HA LEU A 44 4.267 -8.283 -7.003 1.00 1.47 H new ATOM 0 HB2 LEU A 44 6.578 -9.603 -8.429 1.00 1.65 H new ATOM 0 HB3 LEU A 44 6.609 -7.897 -8.028 1.00 1.65 H new ATOM 0 HG LEU A 44 6.134 -10.074 -5.972 1.00 1.77 H new ATOM 0 HD11 LEU A 44 8.493 -9.781 -5.328 1.00 1.89 H new ATOM 0 HD12 LEU A 44 8.332 -10.402 -6.988 1.00 1.89 H new ATOM 0 HD13 LEU A 44 8.730 -8.689 -6.713 1.00 1.89 H new ATOM 0 HD21 LEU A 44 6.770 -8.304 -4.372 1.00 1.80 H new ATOM 0 HD22 LEU A 44 6.934 -7.153 -5.719 1.00 1.80 H new ATOM 0 HD23 LEU A 44 5.342 -7.846 -5.330 1.00 1.80 H new ATOM 409 N LYS A 45 3.835 -8.712 -10.153 1.00 1.48 N ATOM 410 CA LYS A 45 3.376 -8.088 -11.387 1.00 1.52 C ATOM 411 C LYS A 45 2.291 -7.063 -11.074 1.00 1.41 C ATOM 412 O LYS A 45 2.340 -5.921 -11.531 1.00 1.43 O ATOM 413 CB LYS A 45 2.817 -9.160 -12.335 1.00 1.63 C ATOM 414 CG LYS A 45 1.996 -8.602 -13.488 1.00 1.89 C ATOM 415 CD LYS A 45 2.885 -8.029 -14.577 1.00 1.77 C ATOM 416 CE LYS A 45 2.110 -7.138 -15.532 1.00 2.18 C ATOM 417 NZ LYS A 45 2.990 -6.570 -16.586 1.00 2.44 N ATOM 0 H LYS A 45 3.793 -9.731 -10.161 1.00 1.48 H new ATOM 0 HA LYS A 45 4.216 -7.586 -11.868 1.00 1.52 H new ATOM 0 HB2 LYS A 45 3.646 -9.739 -12.741 1.00 1.63 H new ATOM 0 HB3 LYS A 45 2.197 -9.849 -11.762 1.00 1.63 H new ATOM 0 HG2 LYS A 45 1.370 -9.391 -13.905 1.00 1.89 H new ATOM 0 HG3 LYS A 45 1.326 -7.826 -13.117 1.00 1.89 H new ATOM 0 HD2 LYS A 45 3.693 -7.457 -14.122 1.00 1.77 H new ATOM 0 HD3 LYS A 45 3.347 -8.844 -15.135 1.00 1.77 H new ATOM 0 HE2 LYS A 45 1.309 -7.712 -15.997 1.00 2.18 H new ATOM 0 HE3 LYS A 45 1.640 -6.328 -14.974 1.00 2.18 H new ATOM 0 HZ1 LYS A 45 3.053 -5.539 -16.467 1.00 2.44 H new ATOM 0 HZ2 LYS A 45 3.940 -6.986 -16.507 1.00 2.44 H new ATOM 0 HZ3 LYS A 45 2.594 -6.787 -17.523 1.00 2.44 H new ATOM 431 N LYS A 46 1.334 -7.483 -10.253 1.00 1.33 N ATOM 432 CA LYS A 46 0.223 -6.635 -9.862 1.00 1.28 C ATOM 433 C LYS A 46 0.700 -5.468 -9.001 1.00 1.20 C ATOM 434 O LYS A 46 0.281 -4.331 -9.198 1.00 1.20 O ATOM 435 CB LYS A 46 -0.824 -7.457 -9.103 1.00 1.31 C ATOM 436 CG LYS A 46 -2.072 -6.670 -8.738 1.00 1.33 C ATOM 437 CD LYS A 46 -2.855 -6.266 -9.976 1.00 1.76 C ATOM 438 CE LYS A 46 -3.910 -5.225 -9.650 1.00 1.82 C ATOM 439 NZ LYS A 46 -3.710 -3.973 -10.424 1.00 2.08 N ATOM 0 H LYS A 46 1.310 -8.417 -9.844 1.00 1.33 H new ATOM 0 HA LYS A 46 -0.229 -6.227 -10.766 1.00 1.28 H new ATOM 0 HB2 LYS A 46 -1.111 -8.314 -9.712 1.00 1.31 H new ATOM 0 HB3 LYS A 46 -0.374 -7.850 -8.192 1.00 1.31 H new ATOM 0 HG2 LYS A 46 -2.705 -7.271 -8.085 1.00 1.33 H new ATOM 0 HG3 LYS A 46 -1.791 -5.779 -8.177 1.00 1.33 H new ATOM 0 HD2 LYS A 46 -2.172 -5.870 -10.727 1.00 1.76 H new ATOM 0 HD3 LYS A 46 -3.331 -7.145 -10.410 1.00 1.76 H new ATOM 0 HE2 LYS A 46 -4.899 -5.631 -9.865 1.00 1.82 H new ATOM 0 HE3 LYS A 46 -3.882 -5.001 -8.584 1.00 1.82 H new ATOM 0 HZ1 LYS A 46 -4.626 -3.499 -10.560 1.00 2.08 H new ATOM 0 HZ2 LYS A 46 -3.067 -3.342 -9.904 1.00 2.08 H new ATOM 0 HZ3 LYS A 46 -3.297 -4.200 -11.351 1.00 2.08 H new ATOM 453 N LEU A 47 1.589 -5.751 -8.058 1.00 1.18 N ATOM 454 CA LEU A 47 2.113 -4.721 -7.167 1.00 1.15 C ATOM 455 C LEU A 47 2.861 -3.642 -7.953 1.00 1.18 C ATOM 456 O LEU A 47 2.668 -2.446 -7.725 1.00 1.20 O ATOM 457 CB LEU A 47 3.050 -5.341 -6.118 1.00 1.21 C ATOM 458 CG LEU A 47 2.369 -6.057 -4.941 1.00 1.64 C ATOM 459 CD1 LEU A 47 1.150 -5.284 -4.467 1.00 2.54 C ATOM 460 CD2 LEU A 47 1.983 -7.478 -5.318 1.00 2.22 C ATOM 0 H LEU A 47 1.963 -6.685 -7.889 1.00 1.18 H new ATOM 0 HA LEU A 47 1.266 -4.258 -6.661 1.00 1.15 H new ATOM 0 HB2 LEU A 47 3.704 -6.053 -6.621 1.00 1.21 H new ATOM 0 HB3 LEU A 47 3.686 -4.552 -5.718 1.00 1.21 H new ATOM 0 HG LEU A 47 3.085 -6.104 -4.121 1.00 1.64 H new ATOM 0 HD11 LEU A 47 0.686 -5.812 -3.634 1.00 2.54 H new ATOM 0 HD12 LEU A 47 1.454 -4.289 -4.142 1.00 2.54 H new ATOM 0 HD13 LEU A 47 0.434 -5.196 -5.284 1.00 2.54 H new ATOM 0 HD21 LEU A 47 1.503 -7.962 -4.468 1.00 2.22 H new ATOM 0 HD22 LEU A 47 1.292 -7.456 -6.161 1.00 2.22 H new ATOM 0 HD23 LEU A 47 2.877 -8.036 -5.596 1.00 2.22 H new ATOM 472 N LYS A 48 3.693 -4.076 -8.891 1.00 1.25 N ATOM 473 CA LYS A 48 4.487 -3.162 -9.705 1.00 1.37 C ATOM 474 C LYS A 48 3.617 -2.217 -10.535 1.00 1.38 C ATOM 475 O LYS A 48 3.789 -1.000 -10.477 1.00 1.43 O ATOM 476 CB LYS A 48 5.418 -3.947 -10.633 1.00 1.53 C ATOM 477 CG LYS A 48 6.550 -4.659 -9.911 1.00 1.58 C ATOM 478 CD LYS A 48 7.386 -5.496 -10.870 1.00 1.80 C ATOM 479 CE LYS A 48 8.196 -4.622 -11.815 1.00 2.01 C ATOM 480 NZ LYS A 48 8.903 -5.421 -12.847 1.00 2.26 N ATOM 0 H LYS A 48 3.837 -5.062 -9.109 1.00 1.25 H new ATOM 0 HA LYS A 48 5.075 -2.555 -9.017 1.00 1.37 H new ATOM 0 HB2 LYS A 48 4.831 -4.683 -11.183 1.00 1.53 H new ATOM 0 HB3 LYS A 48 5.842 -3.264 -11.369 1.00 1.53 H new ATOM 0 HG2 LYS A 48 7.187 -3.925 -9.418 1.00 1.58 H new ATOM 0 HG3 LYS A 48 6.139 -5.300 -9.131 1.00 1.58 H new ATOM 0 HD2 LYS A 48 8.058 -6.139 -10.302 1.00 1.80 H new ATOM 0 HD3 LYS A 48 6.733 -6.150 -11.448 1.00 1.80 H new ATOM 0 HE2 LYS A 48 7.534 -3.906 -12.302 1.00 2.01 H new ATOM 0 HE3 LYS A 48 8.923 -4.046 -11.242 1.00 2.01 H new ATOM 0 HZ1 LYS A 48 9.184 -4.801 -13.634 1.00 2.26 H new ATOM 0 HZ2 LYS A 48 9.750 -5.856 -12.429 1.00 2.26 H new ATOM 0 HZ3 LYS A 48 8.271 -6.166 -13.202 1.00 2.26 H new ATOM 494 N GLU A 49 2.678 -2.775 -11.299 1.00 1.39 N ATOM 495 CA GLU A 49 1.817 -1.966 -12.162 1.00 1.46 C ATOM 496 C GLU A 49 0.937 -1.004 -11.369 1.00 1.40 C ATOM 497 O GLU A 49 0.819 0.168 -11.726 1.00 1.51 O ATOM 498 CB GLU A 49 0.946 -2.852 -13.057 1.00 1.52 C ATOM 499 CG GLU A 49 0.089 -3.852 -12.302 1.00 1.45 C ATOM 500 CD GLU A 49 -1.073 -4.352 -13.127 1.00 1.63 C ATOM 501 OE1 GLU A 49 -0.837 -4.887 -14.229 1.00 1.88 O ATOM 502 OE2 GLU A 49 -2.232 -4.209 -12.683 1.00 1.70 O ATOM 0 H GLU A 49 2.495 -3.778 -11.338 1.00 1.39 H new ATOM 0 HA GLU A 49 2.481 -1.369 -12.787 1.00 1.46 H new ATOM 0 HB2 GLU A 49 0.297 -2.215 -13.657 1.00 1.52 H new ATOM 0 HB3 GLU A 49 1.590 -3.393 -13.750 1.00 1.52 H new ATOM 0 HG2 GLU A 49 0.705 -4.698 -11.997 1.00 1.45 H new ATOM 0 HG3 GLU A 49 -0.289 -3.388 -11.391 1.00 1.45 H new ATOM 509 N SER A 50 0.342 -1.487 -10.287 1.00 1.30 N ATOM 510 CA SER A 50 -0.537 -0.659 -9.475 1.00 1.32 C ATOM 511 C SER A 50 0.233 0.481 -8.806 1.00 1.33 C ATOM 512 O SER A 50 -0.303 1.575 -8.629 1.00 1.46 O ATOM 513 CB SER A 50 -1.256 -1.511 -8.434 1.00 1.26 C ATOM 514 OG SER A 50 -1.726 -2.718 -9.011 1.00 1.37 O ATOM 0 H SER A 50 0.452 -2.444 -9.953 1.00 1.30 H new ATOM 0 HA SER A 50 -1.282 -0.211 -10.133 1.00 1.32 H new ATOM 0 HB2 SER A 50 -0.579 -1.736 -7.610 1.00 1.26 H new ATOM 0 HB3 SER A 50 -2.093 -0.952 -8.015 1.00 1.26 H new ATOM 0 HG SER A 50 -1.123 -3.452 -8.771 1.00 1.37 H new ATOM 520 N TYR A 51 1.491 0.237 -8.447 1.00 1.26 N ATOM 521 CA TYR A 51 2.297 1.275 -7.822 1.00 1.33 C ATOM 522 C TYR A 51 2.618 2.368 -8.836 1.00 1.50 C ATOM 523 O TYR A 51 2.639 3.553 -8.496 1.00 1.62 O ATOM 524 CB TYR A 51 3.588 0.710 -7.227 1.00 1.28 C ATOM 525 CG TYR A 51 4.412 1.760 -6.511 1.00 1.35 C ATOM 526 CD1 TYR A 51 3.815 2.635 -5.608 1.00 1.35 C ATOM 527 CD2 TYR A 51 5.773 1.891 -6.746 1.00 1.54 C ATOM 528 CE1 TYR A 51 4.555 3.608 -4.963 1.00 1.46 C ATOM 529 CE2 TYR A 51 6.519 2.862 -6.107 1.00 1.64 C ATOM 530 CZ TYR A 51 5.906 3.717 -5.214 1.00 1.56 C ATOM 531 OH TYR A 51 6.643 4.689 -4.574 1.00 1.69 O ATOM 0 H TYR A 51 1.966 -0.656 -8.576 1.00 1.26 H new ATOM 0 HA TYR A 51 1.716 1.700 -7.003 1.00 1.33 H new ATOM 0 HB2 TYR A 51 3.341 -0.090 -6.529 1.00 1.28 H new ATOM 0 HB3 TYR A 51 4.186 0.266 -8.023 1.00 1.28 H new ATOM 0 HD1 TYR A 51 2.757 2.552 -5.408 1.00 1.35 H new ATOM 0 HD2 TYR A 51 6.258 1.222 -7.441 1.00 1.54 H new ATOM 0 HE1 TYR A 51 4.077 4.280 -4.266 1.00 1.46 H new ATOM 0 HE2 TYR A 51 7.577 2.952 -6.305 1.00 1.64 H new ATOM 0 HH TYR A 51 7.579 4.631 -4.860 1.00 1.69 H new ATOM 541 N CYS A 52 2.857 1.967 -10.082 1.00 1.55 N ATOM 542 CA CYS A 52 3.152 2.924 -11.143 1.00 1.74 C ATOM 543 C CYS A 52 1.965 3.866 -11.315 1.00 1.84 C ATOM 544 O CYS A 52 2.127 5.078 -11.493 1.00 1.99 O ATOM 545 CB CYS A 52 3.442 2.199 -12.461 1.00 1.82 C ATOM 546 SG CYS A 52 4.813 1.022 -12.370 1.00 1.82 S ATOM 0 H CYS A 52 2.852 0.992 -10.380 1.00 1.55 H new ATOM 0 HA CYS A 52 4.038 3.497 -10.868 1.00 1.74 H new ATOM 0 HB2 CYS A 52 2.543 1.670 -12.778 1.00 1.82 H new ATOM 0 HB3 CYS A 52 3.663 2.940 -13.230 1.00 1.82 H new ATOM 0 HG CYS A 52 4.586 0.165 -11.419 1.00 1.82 H new ATOM 552 N GLN A 53 0.771 3.296 -11.220 1.00 1.79 N ATOM 553 CA GLN A 53 -0.461 4.057 -11.345 1.00 1.94 C ATOM 554 C GLN A 53 -0.570 5.069 -10.212 1.00 1.99 C ATOM 555 O GLN A 53 -1.001 6.202 -10.420 1.00 2.17 O ATOM 556 CB GLN A 53 -1.663 3.117 -11.336 1.00 1.91 C ATOM 557 CG GLN A 53 -1.639 2.095 -12.460 1.00 1.94 C ATOM 558 CD GLN A 53 -2.634 0.976 -12.250 1.00 1.90 C ATOM 559 OE1 GLN A 53 -2.963 0.624 -11.116 1.00 1.86 O ATOM 560 NE2 GLN A 53 -3.116 0.406 -13.340 1.00 2.00 N ATOM 0 H GLN A 53 0.631 2.299 -11.055 1.00 1.79 H new ATOM 0 HA GLN A 53 -0.448 4.596 -12.293 1.00 1.94 H new ATOM 0 HB2 GLN A 53 -1.699 2.594 -10.380 1.00 1.91 H new ATOM 0 HB3 GLN A 53 -2.577 3.707 -11.411 1.00 1.91 H new ATOM 0 HG2 GLN A 53 -1.854 2.594 -13.405 1.00 1.94 H new ATOM 0 HG3 GLN A 53 -0.637 1.674 -12.542 1.00 1.94 H new ATOM 0 HE21 GLN A 53 -2.816 0.729 -14.260 1.00 2.00 H new ATOM 0 HE22 GLN A 53 -3.788 -0.357 -13.262 1.00 2.00 H new ATOM 569 N ARG A 54 -0.169 4.655 -9.014 1.00 1.86 N ATOM 570 CA ARG A 54 -0.199 5.537 -7.852 1.00 1.94 C ATOM 571 C ARG A 54 0.776 6.694 -8.056 1.00 2.02 C ATOM 572 O ARG A 54 0.532 7.818 -7.610 1.00 2.17 O ATOM 573 CB ARG A 54 0.149 4.762 -6.575 1.00 1.82 C ATOM 574 CG ARG A 54 0.305 5.645 -5.345 1.00 2.10 C ATOM 575 CD ARG A 54 0.416 4.823 -4.072 1.00 1.80 C ATOM 576 NE ARG A 54 0.886 5.627 -2.944 1.00 1.77 N ATOM 577 CZ ARG A 54 0.386 5.550 -1.710 1.00 1.81 C ATOM 578 NH1 ARG A 54 -0.629 4.741 -1.441 1.00 1.85 N ATOM 579 NH2 ARG A 54 0.884 6.299 -0.740 1.00 1.89 N ATOM 0 H ARG A 54 0.180 3.716 -8.822 1.00 1.86 H new ATOM 0 HA ARG A 54 -1.207 5.937 -7.741 1.00 1.94 H new ATOM 0 HB2 ARG A 54 -0.631 4.024 -6.385 1.00 1.82 H new ATOM 0 HB3 ARG A 54 1.076 4.212 -6.736 1.00 1.82 H new ATOM 0 HG2 ARG A 54 1.193 6.268 -5.454 1.00 2.10 H new ATOM 0 HG3 ARG A 54 -0.549 6.318 -5.270 1.00 2.10 H new ATOM 0 HD2 ARG A 54 -0.556 4.393 -3.831 1.00 1.80 H new ATOM 0 HD3 ARG A 54 1.101 3.991 -4.235 1.00 1.80 H new ATOM 0 HE ARG A 54 1.644 6.288 -3.112 1.00 1.77 H new ATOM 0 HH11 ARG A 54 -1.036 4.169 -2.181 1.00 1.85 H new ATOM 0 HH12 ARG A 54 -1.003 4.690 -0.494 1.00 1.85 H new ATOM 0 HH21 ARG A 54 1.654 6.939 -0.934 1.00 1.89 H new ATOM 0 HH22 ARG A 54 0.498 6.236 0.202 1.00 1.89 H new ATOM 593 N GLN A 55 1.879 6.409 -8.742 1.00 1.96 N ATOM 594 CA GLN A 55 2.887 7.419 -9.039 1.00 2.07 C ATOM 595 C GLN A 55 2.352 8.402 -10.073 1.00 2.27 C ATOM 596 O GLN A 55 2.640 9.596 -10.018 1.00 2.41 O ATOM 597 CB GLN A 55 4.170 6.763 -9.564 1.00 2.01 C ATOM 598 CG GLN A 55 4.943 5.997 -8.505 1.00 1.84 C ATOM 599 CD GLN A 55 5.524 6.902 -7.438 1.00 1.98 C ATOM 600 OE1 GLN A 55 4.902 7.139 -6.403 1.00 1.96 O ATOM 601 NE2 GLN A 55 6.719 7.416 -7.679 1.00 2.24 N ATOM 0 H GLN A 55 2.097 5.481 -9.104 1.00 1.96 H new ATOM 0 HA GLN A 55 3.119 7.955 -8.119 1.00 2.07 H new ATOM 0 HB2 GLN A 55 3.913 6.083 -10.376 1.00 2.01 H new ATOM 0 HB3 GLN A 55 4.815 7.534 -9.985 1.00 2.01 H new ATOM 0 HG2 GLN A 55 4.283 5.266 -8.037 1.00 1.84 H new ATOM 0 HG3 GLN A 55 5.749 5.439 -8.981 1.00 1.84 H new ATOM 0 HE21 GLN A 55 7.203 7.195 -8.549 1.00 2.24 H new ATOM 0 HE22 GLN A 55 7.156 8.033 -6.994 1.00 2.24 H new ATOM 610 N GLY A 56 1.559 7.887 -11.007 1.00 2.29 N ATOM 611 CA GLY A 56 0.986 8.722 -12.043 1.00 2.49 C ATOM 612 C GLY A 56 1.646 8.496 -13.386 1.00 2.55 C ATOM 613 O GLY A 56 1.571 9.344 -14.276 1.00 2.74 O ATOM 0 H GLY A 56 1.303 6.901 -11.063 1.00 2.29 H new ATOM 0 HA2 GLY A 56 -0.081 8.516 -12.125 1.00 2.49 H new ATOM 0 HA3 GLY A 56 1.088 9.770 -11.761 1.00 2.49 H new ATOM 617 N VAL A 57 2.294 7.347 -13.532 1.00 2.42 N ATOM 618 CA VAL A 57 2.984 6.999 -14.766 1.00 2.52 C ATOM 619 C VAL A 57 2.628 5.578 -15.193 1.00 2.44 C ATOM 620 O VAL A 57 2.229 4.765 -14.361 1.00 2.26 O ATOM 621 CB VAL A 57 4.519 7.108 -14.607 1.00 2.52 C ATOM 622 CG1 VAL A 57 4.950 8.562 -14.495 1.00 2.66 C ATOM 623 CG2 VAL A 57 4.996 6.313 -13.399 1.00 2.31 C ATOM 0 H VAL A 57 2.356 6.635 -12.804 1.00 2.42 H new ATOM 0 HA VAL A 57 2.660 7.707 -15.529 1.00 2.52 H new ATOM 0 HB VAL A 57 4.981 6.684 -15.499 1.00 2.52 H new ATOM 0 HG11 VAL A 57 6.033 8.613 -14.384 1.00 2.66 H new ATOM 0 HG12 VAL A 57 4.652 9.100 -15.395 1.00 2.66 H new ATOM 0 HG13 VAL A 57 4.474 9.017 -13.626 1.00 2.66 H new ATOM 0 HG21 VAL A 57 6.078 6.405 -13.307 1.00 2.31 H new ATOM 0 HG22 VAL A 57 4.521 6.701 -12.498 1.00 2.31 H new ATOM 0 HG23 VAL A 57 4.730 5.264 -13.526 1.00 2.31 H new ATOM 633 N PRO A 58 2.747 5.260 -16.491 1.00 2.60 N ATOM 634 CA PRO A 58 2.453 3.919 -16.996 1.00 2.59 C ATOM 635 C PRO A 58 3.508 2.915 -16.543 1.00 2.43 C ATOM 636 O PRO A 58 4.591 3.299 -16.099 1.00 2.41 O ATOM 637 CB PRO A 58 2.488 4.089 -18.518 1.00 2.86 C ATOM 638 CG PRO A 58 3.380 5.259 -18.744 1.00 2.93 C ATOM 639 CD PRO A 58 3.169 6.176 -17.567 1.00 2.84 C ATOM 0 HA PRO A 58 1.501 3.535 -16.631 1.00 2.59 H new ATOM 0 HB2 PRO A 58 2.874 3.195 -19.008 1.00 2.86 H new ATOM 0 HB3 PRO A 58 1.491 4.267 -18.920 1.00 2.86 H new ATOM 0 HG2 PRO A 58 4.422 4.947 -18.814 1.00 2.93 H new ATOM 0 HG3 PRO A 58 3.134 5.762 -19.679 1.00 2.93 H new ATOM 0 HD2 PRO A 58 4.082 6.710 -17.305 1.00 2.84 H new ATOM 0 HD3 PRO A 58 2.408 6.929 -17.775 1.00 2.84 H new ATOM 647 N MET A 59 3.197 1.636 -16.650 1.00 2.35 N ATOM 648 CA MET A 59 4.132 0.597 -16.245 1.00 2.23 C ATOM 649 C MET A 59 5.301 0.514 -17.227 1.00 2.37 C ATOM 650 O MET A 59 5.228 1.056 -18.333 1.00 2.52 O ATOM 651 CB MET A 59 3.421 -0.760 -16.153 1.00 2.17 C ATOM 652 CG MET A 59 4.158 -1.773 -15.291 1.00 2.10 C ATOM 653 SD MET A 59 3.471 -3.434 -15.423 1.00 1.99 S ATOM 654 CE MET A 59 4.432 -4.283 -14.174 1.00 1.73 C ATOM 0 H MET A 59 2.308 1.291 -17.012 1.00 2.35 H new ATOM 0 HA MET A 59 4.522 0.854 -15.260 1.00 2.23 H new ATOM 0 HB2 MET A 59 2.420 -0.610 -15.748 1.00 2.17 H new ATOM 0 HB3 MET A 59 3.301 -1.168 -17.157 1.00 2.17 H new ATOM 0 HG2 MET A 59 5.208 -1.795 -15.582 1.00 2.10 H new ATOM 0 HG3 MET A 59 4.122 -1.452 -14.250 1.00 2.10 H new ATOM 0 HE1 MET A 59 3.847 -5.104 -13.761 1.00 1.73 H new ATOM 0 HE2 MET A 59 5.344 -4.677 -14.622 1.00 1.73 H new ATOM 0 HE3 MET A 59 4.691 -3.585 -13.378 1.00 1.73 H new ATOM 664 N ASN A 60 6.382 -0.136 -16.792 1.00 2.55 N ATOM 665 CA ASN A 60 7.593 -0.325 -17.606 1.00 2.74 C ATOM 666 C ASN A 60 8.421 0.952 -17.696 1.00 2.80 C ATOM 667 O ASN A 60 9.483 0.968 -18.319 1.00 2.93 O ATOM 668 CB ASN A 60 7.260 -0.842 -19.014 1.00 3.07 C ATOM 669 CG ASN A 60 6.865 -2.307 -19.020 1.00 3.37 C ATOM 670 OD1 ASN A 60 5.684 -2.644 -18.924 1.00 3.65 O ATOM 671 ND2 ASN A 60 7.850 -3.184 -19.123 1.00 3.50 N ATOM 0 H ASN A 60 6.446 -0.549 -15.862 1.00 2.55 H new ATOM 0 HA ASN A 60 8.190 -1.082 -17.098 1.00 2.74 H new ATOM 0 HB2 ASN A 60 6.447 -0.249 -19.432 1.00 3.07 H new ATOM 0 HB3 ASN A 60 8.124 -0.700 -19.663 1.00 3.07 H new ATOM 0 HD21 ASN A 60 7.645 -4.183 -19.125 1.00 3.50 H new ATOM 0 HD22 ASN A 60 8.814 -2.861 -19.200 1.00 3.50 H new ATOM 678 N SER A 61 7.943 2.016 -17.068 1.00 2.74 N ATOM 679 CA SER A 61 8.653 3.285 -17.074 1.00 2.82 C ATOM 680 C SER A 61 9.688 3.302 -15.959 1.00 2.72 C ATOM 681 O SER A 61 10.734 3.944 -16.069 1.00 2.87 O ATOM 682 CB SER A 61 7.669 4.439 -16.885 1.00 2.82 C ATOM 683 OG SER A 61 6.937 4.281 -15.683 1.00 2.71 O ATOM 0 H SER A 61 7.066 2.025 -16.548 1.00 2.74 H new ATOM 0 HA SER A 61 9.157 3.404 -18.033 1.00 2.82 H new ATOM 0 HB2 SER A 61 8.210 5.385 -16.866 1.00 2.82 H new ATOM 0 HB3 SER A 61 6.983 4.481 -17.731 1.00 2.82 H new ATOM 0 HG SER A 61 6.148 3.724 -15.851 1.00 2.71 H new ATOM 689 N LEU A 62 9.386 2.581 -14.891 1.00 2.52 N ATOM 690 CA LEU A 62 10.264 2.507 -13.739 1.00 2.44 C ATOM 691 C LEU A 62 10.704 1.072 -13.493 1.00 2.42 C ATOM 692 O LEU A 62 9.949 0.127 -13.738 1.00 2.36 O ATOM 693 CB LEU A 62 9.552 3.046 -12.494 1.00 2.21 C ATOM 694 CG LEU A 62 8.854 4.397 -12.668 1.00 2.26 C ATOM 695 CD1 LEU A 62 8.031 4.734 -11.433 1.00 2.10 C ATOM 696 CD2 LEU A 62 9.869 5.495 -12.945 1.00 2.43 C ATOM 0 H LEU A 62 8.530 2.034 -14.800 1.00 2.52 H new ATOM 0 HA LEU A 62 11.144 3.117 -13.942 1.00 2.44 H new ATOM 0 HB2 LEU A 62 8.812 2.313 -12.174 1.00 2.21 H new ATOM 0 HB3 LEU A 62 10.282 3.135 -11.689 1.00 2.21 H new ATOM 0 HG LEU A 62 8.183 4.327 -13.524 1.00 2.26 H new ATOM 0 HD11 LEU A 62 7.542 5.698 -11.574 1.00 2.10 H new ATOM 0 HD12 LEU A 62 7.276 3.963 -11.277 1.00 2.10 H new ATOM 0 HD13 LEU A 62 8.685 4.783 -10.562 1.00 2.10 H new ATOM 0 HD21 LEU A 62 9.352 6.447 -13.065 1.00 2.43 H new ATOM 0 HD22 LEU A 62 10.567 5.564 -12.111 1.00 2.43 H new ATOM 0 HD23 LEU A 62 10.417 5.262 -13.858 1.00 2.43 H new ATOM 708 N ARG A 63 11.926 0.915 -13.016 1.00 2.50 N ATOM 709 CA ARG A 63 12.464 -0.399 -12.716 1.00 2.52 C ATOM 710 C ARG A 63 12.618 -0.568 -11.211 1.00 2.38 C ATOM 711 O ARG A 63 13.107 0.328 -10.520 1.00 2.41 O ATOM 712 CB ARG A 63 13.810 -0.624 -13.418 1.00 2.78 C ATOM 713 CG ARG A 63 14.893 0.376 -13.038 1.00 2.88 C ATOM 714 CD ARG A 63 16.217 0.039 -13.708 1.00 3.08 C ATOM 715 NE ARG A 63 17.205 1.100 -13.533 1.00 3.22 N ATOM 716 CZ ARG A 63 17.351 2.128 -14.370 1.00 3.35 C ATOM 717 NH1 ARG A 63 16.608 2.215 -15.470 1.00 3.39 N ATOM 718 NH2 ARG A 63 18.248 3.072 -14.111 1.00 3.47 N ATOM 0 H ARG A 63 12.567 1.686 -12.827 1.00 2.50 H new ATOM 0 HA ARG A 63 11.764 -1.146 -13.090 1.00 2.52 H new ATOM 0 HB2 ARG A 63 14.163 -1.629 -13.186 1.00 2.78 H new ATOM 0 HB3 ARG A 63 13.655 -0.581 -14.496 1.00 2.78 H new ATOM 0 HG2 ARG A 63 14.582 1.380 -13.327 1.00 2.88 H new ATOM 0 HG3 ARG A 63 15.022 0.382 -11.956 1.00 2.88 H new ATOM 0 HD2 ARG A 63 16.607 -0.891 -13.294 1.00 3.08 H new ATOM 0 HD3 ARG A 63 16.052 -0.131 -14.772 1.00 3.08 H new ATOM 0 HE ARG A 63 17.821 1.052 -12.721 1.00 3.22 H new ATOM 0 HH11 ARG A 63 15.920 1.492 -15.679 1.00 3.39 H new ATOM 0 HH12 ARG A 63 16.727 3.005 -16.104 1.00 3.39 H new ATOM 0 HH21 ARG A 63 18.825 3.011 -13.272 1.00 3.47 H new ATOM 0 HH22 ARG A 63 18.360 3.858 -14.751 1.00 3.47 H new ATOM 732 N PHE A 64 12.177 -1.712 -10.714 1.00 2.24 N ATOM 733 CA PHE A 64 12.261 -2.016 -9.294 1.00 2.11 C ATOM 734 C PHE A 64 13.504 -2.845 -9.031 1.00 2.29 C ATOM 735 O PHE A 64 13.661 -3.930 -9.593 1.00 2.40 O ATOM 736 CB PHE A 64 11.014 -2.776 -8.836 1.00 1.87 C ATOM 737 CG PHE A 64 9.751 -1.963 -8.905 1.00 1.69 C ATOM 738 CD1 PHE A 64 9.156 -1.677 -10.124 1.00 1.73 C ATOM 739 CD2 PHE A 64 9.154 -1.492 -7.747 1.00 1.54 C ATOM 740 CE1 PHE A 64 7.996 -0.932 -10.188 1.00 1.64 C ATOM 741 CE2 PHE A 64 7.993 -0.747 -7.804 1.00 1.43 C ATOM 742 CZ PHE A 64 7.413 -0.467 -9.027 1.00 1.49 C ATOM 0 H PHE A 64 11.754 -2.450 -11.277 1.00 2.24 H new ATOM 0 HA PHE A 64 12.320 -1.084 -8.731 1.00 2.11 H new ATOM 0 HB2 PHE A 64 10.896 -3.667 -9.452 1.00 1.87 H new ATOM 0 HB3 PHE A 64 11.162 -3.115 -7.811 1.00 1.87 H new ATOM 0 HD1 PHE A 64 9.606 -2.042 -11.035 1.00 1.73 H new ATOM 0 HD2 PHE A 64 9.602 -1.710 -6.789 1.00 1.54 H new ATOM 0 HE1 PHE A 64 7.545 -0.713 -11.145 1.00 1.64 H new ATOM 0 HE2 PHE A 64 7.539 -0.383 -6.894 1.00 1.43 H new ATOM 0 HZ PHE A 64 6.504 0.115 -9.074 1.00 1.49 H new ATOM 752 N LEU A 65 14.386 -2.332 -8.194 1.00 2.35 N ATOM 753 CA LEU A 65 15.627 -3.023 -7.881 1.00 2.54 C ATOM 754 C LEU A 65 15.613 -3.585 -6.468 1.00 2.45 C ATOM 755 O LEU A 65 15.280 -2.890 -5.506 1.00 2.29 O ATOM 756 CB LEU A 65 16.820 -2.080 -8.048 1.00 2.77 C ATOM 757 CG LEU A 65 17.110 -1.632 -9.483 1.00 2.97 C ATOM 758 CD1 LEU A 65 18.344 -0.747 -9.523 1.00 3.16 C ATOM 759 CD2 LEU A 65 17.288 -2.832 -10.399 1.00 3.20 C ATOM 0 H LEU A 65 14.268 -1.438 -7.717 1.00 2.35 H new ATOM 0 HA LEU A 65 15.722 -3.855 -8.578 1.00 2.54 H new ATOM 0 HB2 LEU A 65 16.649 -1.194 -7.437 1.00 2.77 H new ATOM 0 HB3 LEU A 65 17.708 -2.573 -7.653 1.00 2.77 H new ATOM 0 HG LEU A 65 16.256 -1.056 -9.839 1.00 2.97 H new ATOM 0 HD11 LEU A 65 18.536 -0.437 -10.550 1.00 3.16 H new ATOM 0 HD12 LEU A 65 18.180 0.134 -8.903 1.00 3.16 H new ATOM 0 HD13 LEU A 65 19.202 -1.302 -9.145 1.00 3.16 H new ATOM 0 HD21 LEU A 65 17.493 -2.489 -11.413 1.00 3.20 H new ATOM 0 HD22 LEU A 65 18.122 -3.439 -10.046 1.00 3.20 H new ATOM 0 HD23 LEU A 65 16.377 -3.430 -10.396 1.00 3.20 H new ATOM 771 N PHE A 66 15.971 -4.853 -6.366 1.00 2.57 N ATOM 772 CA PHE A 66 16.045 -5.551 -5.098 1.00 2.54 C ATOM 773 C PHE A 66 17.419 -6.194 -4.983 1.00 2.84 C ATOM 774 O PHE A 66 17.726 -7.144 -5.705 1.00 2.97 O ATOM 775 CB PHE A 66 14.947 -6.613 -5.002 1.00 2.37 C ATOM 776 CG PHE A 66 14.850 -7.275 -3.658 1.00 2.35 C ATOM 777 CD1 PHE A 66 14.350 -6.580 -2.569 1.00 2.20 C ATOM 778 CD2 PHE A 66 15.256 -8.589 -3.483 1.00 2.54 C ATOM 779 CE1 PHE A 66 14.253 -7.186 -1.330 1.00 2.24 C ATOM 780 CE2 PHE A 66 15.160 -9.199 -2.246 1.00 2.56 C ATOM 781 CZ PHE A 66 14.661 -8.497 -1.170 1.00 2.42 C ATOM 0 H PHE A 66 16.220 -5.431 -7.169 1.00 2.57 H new ATOM 0 HA PHE A 66 15.895 -4.846 -4.280 1.00 2.54 H new ATOM 0 HB2 PHE A 66 13.988 -6.151 -5.238 1.00 2.37 H new ATOM 0 HB3 PHE A 66 15.128 -7.376 -5.759 1.00 2.37 H new ATOM 0 HD1 PHE A 66 14.033 -5.555 -2.689 1.00 2.20 H new ATOM 0 HD2 PHE A 66 15.652 -9.142 -4.322 1.00 2.54 H new ATOM 0 HE1 PHE A 66 13.859 -6.636 -0.488 1.00 2.24 H new ATOM 0 HE2 PHE A 66 15.476 -10.224 -2.123 1.00 2.56 H new ATOM 0 HZ PHE A 66 14.589 -8.971 -0.202 1.00 2.42 H new ATOM 791 N GLU A 67 18.252 -5.637 -4.110 1.00 2.95 N ATOM 792 CA GLU A 67 19.615 -6.123 -3.898 1.00 3.25 C ATOM 793 C GLU A 67 20.472 -5.912 -5.145 1.00 3.44 C ATOM 794 O GLU A 67 21.538 -6.511 -5.291 1.00 3.64 O ATOM 795 CB GLU A 67 19.616 -7.602 -3.498 1.00 3.32 C ATOM 796 CG GLU A 67 19.119 -7.852 -2.083 1.00 3.20 C ATOM 797 CD GLU A 67 19.216 -9.308 -1.690 1.00 3.33 C ATOM 798 OE1 GLU A 67 20.348 -9.834 -1.609 1.00 3.62 O ATOM 799 OE2 GLU A 67 18.164 -9.940 -1.460 1.00 3.33 O ATOM 0 H GLU A 67 18.004 -4.836 -3.529 1.00 2.95 H new ATOM 0 HA GLU A 67 20.047 -5.545 -3.081 1.00 3.25 H new ATOM 0 HB2 GLU A 67 18.992 -8.159 -4.197 1.00 3.32 H new ATOM 0 HB3 GLU A 67 20.628 -7.994 -3.593 1.00 3.32 H new ATOM 0 HG2 GLU A 67 19.700 -7.250 -1.384 1.00 3.20 H new ATOM 0 HG3 GLU A 67 18.083 -7.524 -2.001 1.00 3.20 H new ATOM 806 N GLY A 68 20.009 -5.044 -6.037 1.00 3.41 N ATOM 807 CA GLY A 68 20.739 -4.765 -7.260 1.00 3.61 C ATOM 808 C GLY A 68 20.093 -5.403 -8.473 1.00 3.59 C ATOM 809 O GLY A 68 20.242 -4.918 -9.597 1.00 3.75 O ATOM 0 H GLY A 68 19.136 -4.526 -5.934 1.00 3.41 H new ATOM 0 HA2 GLY A 68 20.798 -3.687 -7.407 1.00 3.61 H new ATOM 0 HA3 GLY A 68 21.761 -5.130 -7.162 1.00 3.61 H new ATOM 813 N GLN A 69 19.372 -6.494 -8.250 1.00 3.41 N ATOM 814 CA GLN A 69 18.698 -7.201 -9.331 1.00 3.39 C ATOM 815 C GLN A 69 17.324 -6.595 -9.567 1.00 3.13 C ATOM 816 O GLN A 69 16.679 -6.137 -8.626 1.00 2.88 O ATOM 817 CB GLN A 69 18.559 -8.688 -8.994 1.00 3.42 C ATOM 818 CG GLN A 69 19.884 -9.382 -8.734 1.00 3.76 C ATOM 819 CD GLN A 69 19.727 -10.862 -8.440 1.00 4.25 C ATOM 820 OE1 GLN A 69 18.700 -11.305 -7.920 1.00 4.42 O ATOM 821 NE2 GLN A 69 20.745 -11.639 -8.771 1.00 4.67 N ATOM 0 H GLN A 69 19.239 -6.909 -7.328 1.00 3.41 H new ATOM 0 HA GLN A 69 19.296 -7.103 -10.237 1.00 3.39 H new ATOM 0 HB2 GLN A 69 17.925 -8.794 -8.114 1.00 3.42 H new ATOM 0 HB3 GLN A 69 18.050 -9.192 -9.816 1.00 3.42 H new ATOM 0 HG2 GLN A 69 20.531 -9.256 -9.602 1.00 3.76 H new ATOM 0 HG3 GLN A 69 20.382 -8.900 -7.892 1.00 3.76 H new ATOM 0 HE21 GLN A 69 21.577 -11.234 -9.199 1.00 4.67 H new ATOM 0 HE22 GLN A 69 20.698 -12.643 -8.598 1.00 4.67 H new ATOM 830 N ARG A 70 16.877 -6.577 -10.811 1.00 3.20 N ATOM 831 CA ARG A 70 15.574 -6.018 -11.119 1.00 2.98 C ATOM 832 C ARG A 70 14.479 -7.036 -10.832 1.00 2.82 C ATOM 833 O ARG A 70 14.595 -8.213 -11.177 1.00 2.96 O ATOM 834 CB ARG A 70 15.506 -5.525 -12.572 1.00 3.12 C ATOM 835 CG ARG A 70 15.348 -6.623 -13.612 1.00 3.34 C ATOM 836 CD ARG A 70 15.176 -6.046 -15.009 1.00 3.51 C ATOM 837 NE ARG A 70 13.969 -5.222 -15.125 1.00 3.29 N ATOM 838 CZ ARG A 70 13.945 -3.991 -15.649 1.00 3.31 C ATOM 839 NH1 ARG A 70 15.063 -3.420 -16.079 1.00 3.55 N ATOM 840 NH2 ARG A 70 12.801 -3.328 -15.734 1.00 3.17 N ATOM 0 H ARG A 70 17.391 -6.939 -11.615 1.00 3.20 H new ATOM 0 HA ARG A 70 15.415 -5.153 -10.475 1.00 2.98 H new ATOM 0 HB2 ARG A 70 14.670 -4.832 -12.667 1.00 3.12 H new ATOM 0 HB3 ARG A 70 16.413 -4.963 -12.793 1.00 3.12 H new ATOM 0 HG2 ARG A 70 16.222 -7.274 -13.591 1.00 3.34 H new ATOM 0 HG3 ARG A 70 14.485 -7.240 -13.363 1.00 3.34 H new ATOM 0 HD2 ARG A 70 16.049 -5.445 -15.262 1.00 3.51 H new ATOM 0 HD3 ARG A 70 15.129 -6.860 -15.733 1.00 3.51 H new ATOM 0 HE ARG A 70 13.090 -5.612 -14.784 1.00 3.29 H new ATOM 0 HH11 ARG A 70 15.950 -3.920 -16.011 1.00 3.55 H new ATOM 0 HH12 ARG A 70 15.036 -2.481 -16.477 1.00 3.55 H new ATOM 0 HH21 ARG A 70 11.938 -3.756 -15.400 1.00 3.17 H new ATOM 0 HH22 ARG A 70 12.784 -2.390 -16.134 1.00 3.17 H new ATOM 854 N ILE A 71 13.435 -6.584 -10.163 1.00 2.55 N ATOM 855 CA ILE A 71 12.317 -7.442 -9.828 1.00 2.38 C ATOM 856 C ILE A 71 11.474 -7.717 -11.063 1.00 2.44 C ATOM 857 O ILE A 71 10.871 -6.807 -11.633 1.00 2.40 O ATOM 858 CB ILE A 71 11.443 -6.815 -8.720 1.00 2.07 C ATOM 859 CG1 ILE A 71 12.185 -6.847 -7.384 1.00 2.04 C ATOM 860 CG2 ILE A 71 10.108 -7.537 -8.600 1.00 1.92 C ATOM 861 CD1 ILE A 71 12.508 -8.248 -6.900 1.00 2.17 C ATOM 0 H ILE A 71 13.339 -5.621 -9.840 1.00 2.55 H new ATOM 0 HA ILE A 71 12.718 -8.383 -9.453 1.00 2.38 H new ATOM 0 HB ILE A 71 11.242 -5.778 -8.991 1.00 2.07 H new ATOM 0 HG12 ILE A 71 13.112 -6.282 -7.480 1.00 2.04 H new ATOM 0 HG13 ILE A 71 11.581 -6.342 -6.630 1.00 2.04 H new ATOM 0 HG21 ILE A 71 9.514 -7.074 -7.812 1.00 1.92 H new ATOM 0 HG22 ILE A 71 9.572 -7.470 -9.546 1.00 1.92 H new ATOM 0 HG23 ILE A 71 10.282 -8.585 -8.355 1.00 1.92 H new ATOM 0 HD11 ILE A 71 13.034 -8.191 -5.947 1.00 2.17 H new ATOM 0 HD12 ILE A 71 11.583 -8.811 -6.771 1.00 2.17 H new ATOM 0 HD13 ILE A 71 13.139 -8.750 -7.634 1.00 2.17 H new ATOM 873 N ALA A 72 11.464 -8.970 -11.486 1.00 2.56 N ATOM 874 CA ALA A 72 10.694 -9.373 -12.647 1.00 2.64 C ATOM 875 C ALA A 72 9.206 -9.376 -12.325 1.00 2.42 C ATOM 876 O ALA A 72 8.813 -9.507 -11.164 1.00 2.27 O ATOM 877 CB ALA A 72 11.140 -10.743 -13.131 1.00 2.89 C ATOM 0 H ALA A 72 11.983 -9.727 -11.040 1.00 2.56 H new ATOM 0 HA ALA A 72 10.870 -8.653 -13.446 1.00 2.64 H new ATOM 0 HB1 ALA A 72 10.552 -11.030 -14.003 1.00 2.89 H new ATOM 0 HB2 ALA A 72 12.195 -10.708 -13.401 1.00 2.89 H new ATOM 0 HB3 ALA A 72 10.993 -11.475 -12.337 1.00 2.89 H new ATOM 883 N ASP A 73 8.389 -9.231 -13.355 1.00 2.44 N ATOM 884 CA ASP A 73 6.940 -9.210 -13.192 1.00 2.28 C ATOM 885 C ASP A 73 6.441 -10.561 -12.695 1.00 2.31 C ATOM 886 O ASP A 73 5.509 -10.645 -11.900 1.00 2.17 O ATOM 887 CB ASP A 73 6.261 -8.866 -14.525 1.00 2.32 C ATOM 888 CG ASP A 73 6.312 -7.386 -14.868 1.00 2.24 C ATOM 889 OD1 ASP A 73 7.079 -6.642 -14.226 1.00 2.32 O ATOM 890 OD2 ASP A 73 5.581 -6.958 -15.791 1.00 2.18 O ATOM 0 H ASP A 73 8.704 -9.125 -14.319 1.00 2.44 H new ATOM 0 HA ASP A 73 6.688 -8.447 -12.455 1.00 2.28 H new ATOM 0 HB2 ASP A 73 6.739 -9.433 -15.324 1.00 2.32 H new ATOM 0 HB3 ASP A 73 5.220 -9.186 -14.486 1.00 2.32 H new ATOM 895 N ASN A 74 7.100 -11.615 -13.150 1.00 2.53 N ATOM 896 CA ASN A 74 6.740 -12.981 -12.788 1.00 2.61 C ATOM 897 C ASN A 74 7.417 -13.427 -11.488 1.00 2.56 C ATOM 898 O ASN A 74 7.756 -14.600 -11.323 1.00 2.62 O ATOM 899 CB ASN A 74 7.131 -13.928 -13.927 1.00 2.89 C ATOM 900 CG ASN A 74 8.596 -13.806 -14.306 1.00 3.10 C ATOM 901 OD1 ASN A 74 8.975 -12.929 -15.085 1.00 3.20 O ATOM 902 ND2 ASN A 74 9.426 -14.678 -13.760 1.00 3.29 N ATOM 0 H ASN A 74 7.899 -11.550 -13.780 1.00 2.53 H new ATOM 0 HA ASN A 74 5.663 -13.012 -12.625 1.00 2.61 H new ATOM 0 HB2 ASN A 74 6.920 -14.955 -13.630 1.00 2.89 H new ATOM 0 HB3 ASN A 74 6.514 -13.716 -14.800 1.00 2.89 H new ATOM 0 HD21 ASN A 74 10.422 -14.640 -13.979 1.00 3.29 H new ATOM 0 HD22 ASN A 74 9.071 -15.388 -13.120 1.00 3.29 H new ATOM 909 N HIS A 75 7.598 -12.502 -10.559 1.00 2.48 N ATOM 910 CA HIS A 75 8.238 -12.820 -9.289 1.00 2.46 C ATOM 911 C HIS A 75 7.266 -12.656 -8.130 1.00 2.21 C ATOM 912 O HIS A 75 6.248 -11.972 -8.245 1.00 2.00 O ATOM 913 CB HIS A 75 9.464 -11.931 -9.062 1.00 2.47 C ATOM 914 CG HIS A 75 10.706 -12.424 -9.740 1.00 2.75 C ATOM 915 ND1 HIS A 75 11.975 -11.969 -9.449 1.00 3.12 N ATOM 916 CD2 HIS A 75 10.858 -13.352 -10.717 1.00 2.97 C ATOM 917 CE1 HIS A 75 12.838 -12.620 -10.238 1.00 3.27 C ATOM 918 NE2 HIS A 75 12.209 -13.471 -11.028 1.00 3.17 N ATOM 0 H HIS A 75 7.313 -11.528 -10.658 1.00 2.48 H new ATOM 0 HA HIS A 75 8.557 -13.861 -9.333 1.00 2.46 H new ATOM 0 HB2 HIS A 75 9.242 -10.925 -9.419 1.00 2.47 H new ATOM 0 HB3 HIS A 75 9.652 -11.855 -7.991 1.00 2.47 H new ATOM 0 HD2 HIS A 75 10.058 -13.910 -11.180 1.00 2.97 H new ATOM 0 HE1 HIS A 75 13.907 -12.469 -10.230 1.00 3.27 H new ATOM 0 HE2 HIS A 75 12.628 -14.089 -11.723 1.00 3.17 H new ATOM 926 N THR A 76 7.583 -13.304 -7.020 1.00 2.27 N ATOM 927 CA THR A 76 6.769 -13.232 -5.819 1.00 2.09 C ATOM 928 C THR A 76 7.661 -12.995 -4.605 1.00 2.05 C ATOM 929 O THR A 76 8.851 -13.302 -4.651 1.00 2.19 O ATOM 930 CB THR A 76 5.954 -14.526 -5.611 1.00 2.22 C ATOM 931 OG1 THR A 76 6.745 -15.676 -5.945 1.00 2.32 O ATOM 932 CG2 THR A 76 4.686 -14.510 -6.450 1.00 2.53 C ATOM 0 H THR A 76 8.410 -13.893 -6.927 1.00 2.27 H new ATOM 0 HA THR A 76 6.071 -12.403 -5.937 1.00 2.09 H new ATOM 0 HB THR A 76 5.673 -14.581 -4.559 1.00 2.22 H new ATOM 0 HG1 THR A 76 7.443 -15.419 -6.583 1.00 2.32 H new ATOM 0 HG21 THR A 76 4.129 -15.433 -6.286 1.00 2.53 H new ATOM 0 HG22 THR A 76 4.070 -13.658 -6.162 1.00 2.53 H new ATOM 0 HG23 THR A 76 4.949 -14.428 -7.505 1.00 2.53 H new ATOM 940 N PRO A 77 7.110 -12.455 -3.502 1.00 1.92 N ATOM 941 CA PRO A 77 7.888 -12.187 -2.282 1.00 1.92 C ATOM 942 C PRO A 77 8.428 -13.464 -1.631 1.00 2.13 C ATOM 943 O PRO A 77 9.304 -13.410 -0.768 1.00 2.21 O ATOM 944 CB PRO A 77 6.883 -11.501 -1.347 1.00 1.76 C ATOM 945 CG PRO A 77 5.775 -11.042 -2.235 1.00 1.66 C ATOM 946 CD PRO A 77 5.709 -12.035 -3.358 1.00 1.81 C ATOM 0 HA PRO A 77 8.769 -11.584 -2.500 1.00 1.92 H new ATOM 0 HB2 PRO A 77 6.518 -12.191 -0.586 1.00 1.76 H new ATOM 0 HB3 PRO A 77 7.341 -10.662 -0.823 1.00 1.76 H new ATOM 0 HG2 PRO A 77 4.830 -11.003 -1.692 1.00 1.66 H new ATOM 0 HG3 PRO A 77 5.968 -10.038 -2.613 1.00 1.66 H new ATOM 0 HD2 PRO A 77 5.057 -12.875 -3.118 1.00 1.81 H new ATOM 0 HD3 PRO A 77 5.325 -11.585 -4.274 1.00 1.81 H new ATOM 954 N LYS A 78 7.897 -14.610 -2.054 1.00 2.23 N ATOM 955 CA LYS A 78 8.319 -15.899 -1.520 1.00 2.44 C ATOM 956 C LYS A 78 9.751 -16.217 -1.947 1.00 2.61 C ATOM 957 O LYS A 78 10.525 -16.802 -1.183 1.00 2.76 O ATOM 958 CB LYS A 78 7.362 -17.004 -1.984 1.00 2.48 C ATOM 959 CG LYS A 78 7.715 -18.394 -1.465 1.00 2.66 C ATOM 960 CD LYS A 78 7.666 -18.468 0.057 1.00 2.76 C ATOM 961 CE LYS A 78 6.255 -18.260 0.587 1.00 2.73 C ATOM 962 NZ LYS A 78 6.180 -18.407 2.067 1.00 2.92 N ATOM 0 H LYS A 78 7.171 -14.669 -2.768 1.00 2.23 H new ATOM 0 HA LYS A 78 8.292 -15.848 -0.432 1.00 2.44 H new ATOM 0 HB2 LYS A 78 6.352 -16.753 -1.661 1.00 2.48 H new ATOM 0 HB3 LYS A 78 7.352 -17.027 -3.074 1.00 2.48 H new ATOM 0 HG2 LYS A 78 7.023 -19.124 -1.885 1.00 2.66 H new ATOM 0 HG3 LYS A 78 8.713 -18.666 -1.809 1.00 2.66 H new ATOM 0 HD2 LYS A 78 8.039 -19.438 0.386 1.00 2.76 H new ATOM 0 HD3 LYS A 78 8.328 -17.712 0.479 1.00 2.76 H new ATOM 0 HE2 LYS A 78 5.906 -17.267 0.305 1.00 2.73 H new ATOM 0 HE3 LYS A 78 5.583 -18.979 0.118 1.00 2.73 H new ATOM 0 HZ1 LYS A 78 5.200 -18.257 2.382 1.00 2.92 H new ATOM 0 HZ2 LYS A 78 6.488 -19.363 2.337 1.00 2.92 H new ATOM 0 HZ3 LYS A 78 6.800 -17.704 2.518 1.00 2.92 H new ATOM 976 N GLU A 79 10.096 -15.828 -3.165 1.00 2.62 N ATOM 977 CA GLU A 79 11.432 -16.061 -3.684 1.00 2.81 C ATOM 978 C GLU A 79 12.295 -14.834 -3.429 1.00 2.76 C ATOM 979 O GLU A 79 11.810 -13.843 -2.878 1.00 2.60 O ATOM 980 CB GLU A 79 11.386 -16.397 -5.179 1.00 2.89 C ATOM 981 CG GLU A 79 10.855 -15.272 -6.052 1.00 2.73 C ATOM 982 CD GLU A 79 10.214 -15.777 -7.325 1.00 2.84 C ATOM 983 OE1 GLU A 79 10.933 -16.333 -8.179 1.00 3.18 O ATOM 984 OE2 GLU A 79 8.984 -15.625 -7.472 1.00 2.70 O ATOM 0 H GLU A 79 9.468 -15.350 -3.811 1.00 2.62 H new ATOM 0 HA GLU A 79 11.870 -16.916 -3.169 1.00 2.81 H new ATOM 0 HB2 GLU A 79 12.390 -16.658 -5.513 1.00 2.89 H new ATOM 0 HB3 GLU A 79 10.763 -17.279 -5.323 1.00 2.89 H new ATOM 0 HG2 GLU A 79 10.125 -14.692 -5.487 1.00 2.73 H new ATOM 0 HG3 GLU A 79 11.672 -14.596 -6.304 1.00 2.73 H new ATOM 991 N LEU A 80 13.572 -14.918 -3.810 1.00 2.91 N ATOM 992 CA LEU A 80 14.537 -13.825 -3.626 1.00 2.90 C ATOM 993 C LEU A 80 14.940 -13.698 -2.159 1.00 2.89 C ATOM 994 O LEU A 80 16.124 -13.602 -1.835 1.00 3.04 O ATOM 995 CB LEU A 80 13.981 -12.484 -4.133 1.00 2.74 C ATOM 996 CG LEU A 80 13.707 -12.413 -5.636 1.00 2.80 C ATOM 997 CD1 LEU A 80 12.318 -11.853 -5.893 1.00 2.70 C ATOM 998 CD2 LEU A 80 14.761 -11.564 -6.330 1.00 2.94 C ATOM 0 H LEU A 80 13.969 -15.745 -4.255 1.00 2.91 H new ATOM 0 HA LEU A 80 15.419 -14.072 -4.217 1.00 2.90 H new ATOM 0 HB2 LEU A 80 13.054 -12.270 -3.601 1.00 2.74 H new ATOM 0 HB3 LEU A 80 14.687 -11.696 -3.872 1.00 2.74 H new ATOM 0 HG LEU A 80 13.755 -13.422 -6.046 1.00 2.80 H new ATOM 0 HD11 LEU A 80 12.137 -11.808 -6.967 1.00 2.70 H new ATOM 0 HD12 LEU A 80 11.574 -12.498 -5.426 1.00 2.70 H new ATOM 0 HD13 LEU A 80 12.246 -10.851 -5.471 1.00 2.70 H new ATOM 0 HD21 LEU A 80 14.550 -11.524 -7.399 1.00 2.94 H new ATOM 0 HD22 LEU A 80 14.744 -10.555 -5.919 1.00 2.94 H new ATOM 0 HD23 LEU A 80 15.745 -12.004 -6.170 1.00 2.94 H new ATOM 1010 N GLY A 81 13.950 -13.707 -1.283 1.00 2.76 N ATOM 1011 CA GLY A 81 14.207 -13.592 0.136 1.00 2.76 C ATOM 1012 C GLY A 81 13.708 -12.281 0.693 1.00 2.56 C ATOM 1013 O GLY A 81 14.423 -11.601 1.427 1.00 2.57 O ATOM 0 H GLY A 81 12.964 -13.793 -1.532 1.00 2.76 H new ATOM 0 HA2 GLY A 81 13.724 -14.417 0.661 1.00 2.76 H new ATOM 0 HA3 GLY A 81 15.278 -13.681 0.320 1.00 2.76 H new ATOM 1017 N MET A 82 12.479 -11.923 0.343 1.00 2.41 N ATOM 1018 CA MET A 82 11.880 -10.682 0.815 1.00 2.23 C ATOM 1019 C MET A 82 11.400 -10.831 2.248 1.00 2.23 C ATOM 1020 O MET A 82 10.755 -11.821 2.601 1.00 2.28 O ATOM 1021 CB MET A 82 10.715 -10.267 -0.086 1.00 2.05 C ATOM 1022 CG MET A 82 11.153 -9.582 -1.365 1.00 2.27 C ATOM 1023 SD MET A 82 9.761 -9.107 -2.411 1.00 2.05 S ATOM 1024 CE MET A 82 10.595 -8.129 -3.657 1.00 2.01 C ATOM 0 H MET A 82 11.877 -12.476 -0.267 1.00 2.41 H new ATOM 0 HA MET A 82 12.643 -9.904 0.780 1.00 2.23 H new ATOM 0 HB2 MET A 82 10.129 -11.151 -0.339 1.00 2.05 H new ATOM 0 HB3 MET A 82 10.058 -9.597 0.469 1.00 2.05 H new ATOM 0 HG2 MET A 82 11.735 -8.695 -1.116 1.00 2.27 H new ATOM 0 HG3 MET A 82 11.811 -10.249 -1.923 1.00 2.27 H new ATOM 0 HE1 MET A 82 9.866 -7.762 -4.380 1.00 2.01 H new ATOM 0 HE2 MET A 82 11.093 -7.283 -3.183 1.00 2.01 H new ATOM 0 HE3 MET A 82 11.335 -8.745 -4.168 1.00 2.01 H new ATOM 1034 N GLU A 83 11.732 -9.857 3.077 1.00 2.20 N ATOM 1035 CA GLU A 83 11.336 -9.881 4.473 1.00 2.22 C ATOM 1036 C GLU A 83 10.608 -8.599 4.850 1.00 2.07 C ATOM 1037 O GLU A 83 10.470 -7.688 4.035 1.00 1.91 O ATOM 1038 CB GLU A 83 12.564 -10.049 5.368 1.00 2.42 C ATOM 1039 CG GLU A 83 13.397 -11.278 5.050 1.00 2.73 C ATOM 1040 CD GLU A 83 14.411 -11.582 6.130 1.00 2.98 C ATOM 1041 OE1 GLU A 83 15.456 -10.899 6.179 1.00 2.89 O ATOM 1042 OE2 GLU A 83 14.171 -12.503 6.938 1.00 3.44 O ATOM 0 H GLU A 83 12.276 -9.038 2.806 1.00 2.20 H new ATOM 0 HA GLU A 83 10.662 -10.725 4.618 1.00 2.22 H new ATOM 0 HB2 GLU A 83 13.192 -9.163 5.275 1.00 2.42 H new ATOM 0 HB3 GLU A 83 12.239 -10.102 6.407 1.00 2.42 H new ATOM 0 HG2 GLU A 83 12.738 -12.137 4.922 1.00 2.73 H new ATOM 0 HG3 GLU A 83 13.914 -11.128 4.102 1.00 2.73 H new ATOM 1049 N GLU A 84 10.144 -8.532 6.088 1.00 2.15 N ATOM 1050 CA GLU A 84 9.456 -7.349 6.581 1.00 2.07 C ATOM 1051 C GLU A 84 10.470 -6.225 6.771 1.00 2.08 C ATOM 1052 O GLU A 84 11.612 -6.484 7.161 1.00 2.22 O ATOM 1053 CB GLU A 84 8.737 -7.671 7.896 1.00 2.20 C ATOM 1054 CG GLU A 84 8.145 -6.461 8.607 1.00 2.18 C ATOM 1055 CD GLU A 84 7.182 -5.676 7.741 1.00 2.10 C ATOM 1056 OE1 GLU A 84 6.181 -6.257 7.276 1.00 2.34 O ATOM 1057 OE2 GLU A 84 7.418 -4.469 7.531 1.00 2.01 O ATOM 0 H GLU A 84 10.232 -9.284 6.771 1.00 2.15 H new ATOM 0 HA GLU A 84 8.706 -7.027 5.859 1.00 2.07 H new ATOM 0 HB2 GLU A 84 7.938 -8.384 7.693 1.00 2.20 H new ATOM 0 HB3 GLU A 84 9.440 -8.163 8.568 1.00 2.20 H new ATOM 0 HG2 GLU A 84 7.627 -6.793 9.507 1.00 2.18 H new ATOM 0 HG3 GLU A 84 8.953 -5.804 8.928 1.00 2.18 H new ATOM 1064 N GLU A 85 10.056 -4.994 6.473 1.00 1.98 N ATOM 1065 CA GLU A 85 10.923 -3.825 6.597 1.00 2.01 C ATOM 1066 C GLU A 85 12.061 -3.893 5.587 1.00 2.02 C ATOM 1067 O GLU A 85 13.146 -3.352 5.815 1.00 2.18 O ATOM 1068 CB GLU A 85 11.483 -3.709 8.019 1.00 2.22 C ATOM 1069 CG GLU A 85 10.566 -2.970 8.971 1.00 2.32 C ATOM 1070 CD GLU A 85 10.580 -1.474 8.743 1.00 2.36 C ATOM 1071 OE1 GLU A 85 11.675 -0.913 8.518 1.00 2.55 O ATOM 1072 OE2 GLU A 85 9.501 -0.850 8.800 1.00 2.47 O ATOM 0 H GLU A 85 9.116 -4.781 6.141 1.00 1.98 H new ATOM 0 HA GLU A 85 10.325 -2.938 6.390 1.00 2.01 H new ATOM 0 HB2 GLU A 85 11.670 -4.709 8.410 1.00 2.22 H new ATOM 0 HB3 GLU A 85 12.444 -3.197 7.982 1.00 2.22 H new ATOM 0 HG2 GLU A 85 9.549 -3.343 8.854 1.00 2.32 H new ATOM 0 HG3 GLU A 85 10.866 -3.181 9.997 1.00 2.32 H new ATOM 1079 N ASP A 86 11.806 -4.556 4.466 1.00 1.90 N ATOM 1080 CA ASP A 86 12.808 -4.692 3.421 1.00 1.96 C ATOM 1081 C ASP A 86 12.967 -3.383 2.666 1.00 1.88 C ATOM 1082 O ASP A 86 12.156 -2.468 2.818 1.00 1.79 O ATOM 1083 CB ASP A 86 12.437 -5.808 2.450 1.00 1.93 C ATOM 1084 CG ASP A 86 13.634 -6.648 2.073 1.00 2.12 C ATOM 1085 OD1 ASP A 86 14.705 -6.066 1.782 1.00 2.17 O ATOM 1086 OD2 ASP A 86 13.514 -7.890 2.080 1.00 2.28 O ATOM 0 H ASP A 86 10.915 -5.007 4.259 1.00 1.90 H new ATOM 0 HA ASP A 86 13.755 -4.948 3.896 1.00 1.96 H new ATOM 0 HB2 ASP A 86 11.675 -6.444 2.902 1.00 1.93 H new ATOM 0 HB3 ASP A 86 11.999 -5.376 1.550 1.00 1.93 H new ATOM 1091 N VAL A 87 13.997 -3.296 1.844 1.00 1.97 N ATOM 1092 CA VAL A 87 14.260 -2.085 1.085 1.00 1.94 C ATOM 1093 C VAL A 87 14.237 -2.357 -0.414 1.00 1.94 C ATOM 1094 O VAL A 87 14.955 -3.227 -0.907 1.00 2.10 O ATOM 1095 CB VAL A 87 15.624 -1.468 1.464 1.00 2.13 C ATOM 1096 CG1 VAL A 87 15.812 -0.119 0.786 1.00 2.18 C ATOM 1097 CG2 VAL A 87 15.759 -1.328 2.976 1.00 2.19 C ATOM 0 H VAL A 87 14.666 -4.049 1.684 1.00 1.97 H new ATOM 0 HA VAL A 87 13.468 -1.379 1.334 1.00 1.94 H new ATOM 0 HB VAL A 87 16.406 -2.142 1.114 1.00 2.13 H new ATOM 0 HG11 VAL A 87 16.779 0.298 1.067 1.00 2.18 H new ATOM 0 HG12 VAL A 87 15.772 -0.247 -0.296 1.00 2.18 H new ATOM 0 HG13 VAL A 87 15.019 0.560 1.101 1.00 2.18 H new ATOM 0 HG21 VAL A 87 16.728 -0.891 3.216 1.00 2.19 H new ATOM 0 HG22 VAL A 87 14.966 -0.682 3.354 1.00 2.19 H new ATOM 0 HG23 VAL A 87 15.679 -2.311 3.441 1.00 2.19 H new ATOM 1107 N ILE A 88 13.406 -1.617 -1.132 1.00 1.78 N ATOM 1108 CA ILE A 88 13.299 -1.762 -2.571 1.00 1.80 C ATOM 1109 C ILE A 88 13.527 -0.406 -3.241 1.00 1.86 C ATOM 1110 O ILE A 88 12.984 0.615 -2.807 1.00 1.79 O ATOM 1111 CB ILE A 88 11.932 -2.371 -2.980 1.00 1.61 C ATOM 1112 CG1 ILE A 88 11.884 -2.634 -4.486 1.00 1.67 C ATOM 1113 CG2 ILE A 88 10.778 -1.472 -2.559 1.00 1.44 C ATOM 1114 CD1 ILE A 88 10.738 -3.527 -4.909 1.00 1.52 C ATOM 0 H ILE A 88 12.792 -0.905 -0.735 1.00 1.78 H new ATOM 0 HA ILE A 88 14.068 -2.456 -2.910 1.00 1.80 H new ATOM 0 HB ILE A 88 11.825 -3.322 -2.459 1.00 1.61 H new ATOM 0 HG12 ILE A 88 11.804 -1.682 -5.010 1.00 1.67 H new ATOM 0 HG13 ILE A 88 12.824 -3.091 -4.797 1.00 1.67 H new ATOM 0 HG21 ILE A 88 9.834 -1.927 -2.860 1.00 1.44 H new ATOM 0 HG22 ILE A 88 10.791 -1.346 -1.476 1.00 1.44 H new ATOM 0 HG23 ILE A 88 10.881 -0.499 -3.039 1.00 1.44 H new ATOM 0 HD11 ILE A 88 10.767 -3.669 -5.989 1.00 1.52 H new ATOM 0 HD12 ILE A 88 10.828 -4.493 -4.413 1.00 1.52 H new ATOM 0 HD13 ILE A 88 9.792 -3.062 -4.630 1.00 1.52 H new ATOM 1126 N GLU A 89 14.356 -0.389 -4.270 1.00 2.04 N ATOM 1127 CA GLU A 89 14.671 0.845 -4.974 1.00 2.14 C ATOM 1128 C GLU A 89 13.904 0.942 -6.287 1.00 2.11 C ATOM 1129 O GLU A 89 13.586 -0.071 -6.910 1.00 2.11 O ATOM 1130 CB GLU A 89 16.172 0.926 -5.241 1.00 2.41 C ATOM 1131 CG GLU A 89 16.993 1.287 -4.014 1.00 2.43 C ATOM 1132 CD GLU A 89 18.444 0.877 -4.145 1.00 2.68 C ATOM 1133 OE1 GLU A 89 19.135 1.403 -5.041 1.00 2.90 O ATOM 1134 OE2 GLU A 89 18.905 0.026 -3.356 1.00 2.87 O ATOM 0 H GLU A 89 14.825 -1.217 -4.638 1.00 2.04 H new ATOM 0 HA GLU A 89 14.370 1.681 -4.342 1.00 2.14 H new ATOM 0 HB2 GLU A 89 16.515 -0.034 -5.627 1.00 2.41 H new ATOM 0 HB3 GLU A 89 16.354 1.667 -6.020 1.00 2.41 H new ATOM 0 HG2 GLU A 89 16.937 2.363 -3.847 1.00 2.43 H new ATOM 0 HG3 GLU A 89 16.561 0.805 -3.137 1.00 2.43 H new ATOM 1141 N VAL A 90 13.616 2.166 -6.702 1.00 2.12 N ATOM 1142 CA VAL A 90 12.893 2.407 -7.940 1.00 2.12 C ATOM 1143 C VAL A 90 13.572 3.511 -8.751 1.00 2.32 C ATOM 1144 O VAL A 90 13.869 4.587 -8.231 1.00 2.36 O ATOM 1145 CB VAL A 90 11.412 2.771 -7.667 1.00 1.93 C ATOM 1146 CG1 VAL A 90 11.299 3.982 -6.748 1.00 1.92 C ATOM 1147 CG2 VAL A 90 10.661 3.010 -8.967 1.00 1.94 C ATOM 0 H VAL A 90 13.874 3.013 -6.195 1.00 2.12 H new ATOM 0 HA VAL A 90 12.910 1.484 -8.520 1.00 2.12 H new ATOM 0 HB VAL A 90 10.953 1.922 -7.160 1.00 1.93 H new ATOM 0 HG11 VAL A 90 10.247 4.211 -6.576 1.00 1.92 H new ATOM 0 HG12 VAL A 90 11.783 3.763 -5.796 1.00 1.92 H new ATOM 0 HG13 VAL A 90 11.786 4.839 -7.214 1.00 1.92 H new ATOM 0 HG21 VAL A 90 9.624 3.264 -8.747 1.00 1.94 H new ATOM 0 HG22 VAL A 90 11.128 3.831 -9.511 1.00 1.94 H new ATOM 0 HG23 VAL A 90 10.692 2.107 -9.576 1.00 1.94 H new ATOM 1157 N TYR A 91 13.847 3.225 -10.016 1.00 2.46 N ATOM 1158 CA TYR A 91 14.499 4.186 -10.898 1.00 2.66 C ATOM 1159 C TYR A 91 13.767 4.255 -12.226 1.00 2.72 C ATOM 1160 O TYR A 91 13.004 3.352 -12.564 1.00 2.67 O ATOM 1161 CB TYR A 91 15.963 3.802 -11.127 1.00 2.86 C ATOM 1162 CG TYR A 91 16.783 3.769 -9.859 1.00 2.85 C ATOM 1163 CD1 TYR A 91 17.360 4.926 -9.350 1.00 2.89 C ATOM 1164 CD2 TYR A 91 16.975 2.581 -9.168 1.00 2.82 C ATOM 1165 CE1 TYR A 91 18.103 4.896 -8.185 1.00 2.92 C ATOM 1166 CE2 TYR A 91 17.714 2.546 -8.003 1.00 2.84 C ATOM 1167 CZ TYR A 91 18.275 3.705 -7.518 1.00 2.89 C ATOM 1168 OH TYR A 91 19.018 3.671 -6.358 1.00 2.94 O ATOM 0 H TYR A 91 13.628 2.332 -10.457 1.00 2.46 H new ATOM 0 HA TYR A 91 14.468 5.166 -10.422 1.00 2.66 H new ATOM 0 HB2 TYR A 91 16.003 2.822 -11.602 1.00 2.86 H new ATOM 0 HB3 TYR A 91 16.412 4.511 -11.822 1.00 2.86 H new ATOM 0 HD1 TYR A 91 17.226 5.862 -9.872 1.00 2.89 H new ATOM 0 HD2 TYR A 91 16.539 1.669 -9.548 1.00 2.82 H new ATOM 0 HE1 TYR A 91 18.546 5.803 -7.800 1.00 2.92 H new ATOM 0 HE2 TYR A 91 17.851 1.614 -7.475 1.00 2.84 H new ATOM 0 HH TYR A 91 18.781 2.873 -5.841 1.00 2.94 H new ATOM 1178 N GLN A 92 14.004 5.315 -12.981 1.00 2.84 N ATOM 1179 CA GLN A 92 13.347 5.485 -14.268 1.00 2.93 C ATOM 1180 C GLN A 92 14.168 4.856 -15.387 1.00 3.14 C ATOM 1181 O GLN A 92 15.385 5.030 -15.456 1.00 3.31 O ATOM 1182 CB GLN A 92 13.122 6.971 -14.562 1.00 3.07 C ATOM 1183 CG GLN A 92 12.325 7.224 -15.832 1.00 3.13 C ATOM 1184 CD GLN A 92 12.353 8.676 -16.263 1.00 3.36 C ATOM 1185 OE1 GLN A 92 11.491 9.468 -15.879 1.00 3.44 O ATOM 1186 NE2 GLN A 92 13.342 9.037 -17.062 1.00 3.63 N ATOM 0 H GLN A 92 14.643 6.068 -12.727 1.00 2.84 H new ATOM 0 HA GLN A 92 12.382 4.981 -14.220 1.00 2.93 H new ATOM 0 HB2 GLN A 92 12.601 7.425 -13.719 1.00 3.07 H new ATOM 0 HB3 GLN A 92 14.089 7.467 -14.644 1.00 3.07 H new ATOM 0 HG2 GLN A 92 12.723 6.604 -16.635 1.00 3.13 H new ATOM 0 HG3 GLN A 92 11.291 6.916 -15.674 1.00 3.13 H new ATOM 0 HE21 GLN A 92 14.036 8.350 -17.357 1.00 3.63 H new ATOM 0 HE22 GLN A 92 13.411 10.003 -17.383 1.00 3.63 H new ATOM 1195 N GLU A 93 13.492 4.124 -16.261 1.00 3.15 N ATOM 1196 CA GLU A 93 14.146 3.481 -17.388 1.00 3.36 C ATOM 1197 C GLU A 93 14.539 4.534 -18.422 1.00 3.61 C ATOM 1198 O GLU A 93 13.875 5.565 -18.549 1.00 3.61 O ATOM 1199 CB GLU A 93 13.220 2.435 -18.012 1.00 3.31 C ATOM 1200 CG GLU A 93 12.686 1.419 -17.011 1.00 3.20 C ATOM 1201 CD GLU A 93 13.626 0.250 -16.785 1.00 3.30 C ATOM 1202 OE1 GLU A 93 14.822 0.482 -16.509 1.00 3.36 O ATOM 1203 OE2 GLU A 93 13.166 -0.913 -16.867 1.00 3.35 O ATOM 0 H GLU A 93 12.486 3.961 -16.209 1.00 3.15 H new ATOM 0 HA GLU A 93 15.046 2.975 -17.039 1.00 3.36 H new ATOM 0 HB2 GLU A 93 12.380 2.942 -18.486 1.00 3.31 H new ATOM 0 HB3 GLU A 93 13.759 1.908 -18.799 1.00 3.31 H new ATOM 0 HG2 GLU A 93 12.503 1.918 -16.060 1.00 3.20 H new ATOM 0 HG3 GLU A 93 11.726 1.042 -17.363 1.00 3.20 H new ATOM 1210 N GLN A 94 15.611 4.268 -19.156 1.00 3.83 N ATOM 1211 CA GLN A 94 16.108 5.202 -20.165 1.00 4.09 C ATOM 1212 C GLN A 94 15.087 5.415 -21.283 1.00 4.17 C ATOM 1213 O GLN A 94 14.955 6.520 -21.810 1.00 4.33 O ATOM 1214 CB GLN A 94 17.430 4.695 -20.746 1.00 4.34 C ATOM 1215 CG GLN A 94 17.974 5.551 -21.877 1.00 4.61 C ATOM 1216 CD GLN A 94 19.424 5.249 -22.185 1.00 4.80 C ATOM 1217 OE1 GLN A 94 19.731 4.355 -22.972 1.00 4.90 O ATOM 1218 NE2 GLN A 94 20.329 5.986 -21.564 1.00 4.92 N ATOM 0 H GLN A 94 16.157 3.410 -19.073 1.00 3.83 H new ATOM 0 HA GLN A 94 16.274 6.163 -19.678 1.00 4.09 H new ATOM 0 HB2 GLN A 94 18.172 4.649 -19.949 1.00 4.34 H new ATOM 0 HB3 GLN A 94 17.289 3.677 -21.109 1.00 4.34 H new ATOM 0 HG2 GLN A 94 17.374 5.389 -22.772 1.00 4.61 H new ATOM 0 HG3 GLN A 94 17.873 6.604 -21.613 1.00 4.61 H new ATOM 0 HE21 GLN A 94 20.034 6.718 -20.918 1.00 4.92 H new ATOM 0 HE22 GLN A 94 21.322 5.822 -21.731 1.00 4.92 H new ATOM 1227 N THR A 95 14.366 4.359 -21.635 1.00 4.08 N ATOM 1228 CA THR A 95 13.365 4.434 -22.685 1.00 4.17 C ATOM 1229 C THR A 95 12.185 5.300 -22.261 1.00 4.00 C ATOM 1230 O THR A 95 11.562 5.964 -23.086 1.00 4.17 O ATOM 1231 CB THR A 95 12.852 3.032 -23.050 1.00 4.11 C ATOM 1232 OG1 THR A 95 12.729 2.243 -21.858 1.00 3.88 O ATOM 1233 CG2 THR A 95 13.796 2.347 -24.026 1.00 4.41 C ATOM 0 H THR A 95 14.458 3.438 -21.206 1.00 4.08 H new ATOM 0 HA THR A 95 13.842 4.885 -23.555 1.00 4.17 H new ATOM 0 HB THR A 95 11.878 3.131 -23.528 1.00 4.11 H new ATOM 0 HG1 THR A 95 12.400 1.349 -22.090 1.00 3.88 H new ATOM 0 HG21 THR A 95 13.412 1.356 -24.269 1.00 4.41 H new ATOM 0 HG22 THR A 95 13.871 2.941 -24.937 1.00 4.41 H new ATOM 0 HG23 THR A 95 14.782 2.252 -23.572 1.00 4.41 H new ATOM 1241 N GLY A 96 11.892 5.296 -20.965 1.00 3.73 N ATOM 1242 CA GLY A 96 10.787 6.074 -20.448 1.00 3.60 C ATOM 1243 C GLY A 96 9.525 5.247 -20.317 1.00 3.42 C ATOM 1244 O GLY A 96 8.543 5.687 -19.720 1.00 3.37 O ATOM 0 H GLY A 96 12.405 4.764 -20.262 1.00 3.73 H new ATOM 0 HA2 GLY A 96 11.056 6.483 -19.474 1.00 3.60 H new ATOM 0 HA3 GLY A 96 10.599 6.921 -21.108 1.00 3.60 H new ATOM 1248 N GLY A 97 9.553 4.042 -20.870 1.00 3.39 N ATOM 1249 CA GLY A 97 8.401 3.170 -20.801 1.00 3.25 C ATOM 1250 C GLY A 97 7.537 3.277 -22.034 1.00 3.46 C ATOM 1251 O GLY A 97 6.297 3.260 -21.900 1.00 3.54 O ATOM 1252 OXT GLY A 97 8.092 3.385 -23.151 1.00 3.68 O ATOM 0 H GLY A 97 10.355 3.654 -21.366 1.00 3.39 H new ATOM 0 HA2 GLY A 97 8.733 2.139 -20.679 1.00 3.25 H new ATOM 0 HA3 GLY A 97 7.809 3.420 -19.921 1.00 3.25 H new ATOM 1309 N VAL B 4 1.280 3.793 3.649 1.00 1.82 N ATOM 1310 CA VAL B 4 1.565 2.470 3.168 1.00 1.66 C ATOM 1311 C VAL B 4 0.677 2.189 1.967 1.00 1.67 C ATOM 1312 O VAL B 4 -0.544 2.339 2.029 1.00 1.80 O ATOM 1313 CB VAL B 4 1.381 1.413 4.279 1.00 1.71 C ATOM 1314 CG1 VAL B 4 -0.065 1.303 4.706 1.00 2.13 C ATOM 1315 CG2 VAL B 4 1.918 0.069 3.829 1.00 2.04 C ATOM 0 HA VAL B 4 2.610 2.410 2.862 1.00 1.66 H new ATOM 0 HB VAL B 4 1.953 1.739 5.148 1.00 1.71 H new ATOM 0 HG11 VAL B 4 -0.157 0.550 5.489 1.00 2.13 H new ATOM 0 HG12 VAL B 4 -0.406 2.266 5.087 1.00 2.13 H new ATOM 0 HG13 VAL B 4 -0.676 1.014 3.851 1.00 2.13 H new ATOM 0 HG21 VAL B 4 1.780 -0.663 4.625 1.00 2.04 H new ATOM 0 HG22 VAL B 4 1.381 -0.258 2.938 1.00 2.04 H new ATOM 0 HG23 VAL B 4 2.980 0.160 3.600 1.00 2.04 H new ATOM 1325 N ILE B 5 1.303 1.839 0.864 1.00 1.55 N ATOM 1326 CA ILE B 5 0.584 1.561 -0.362 1.00 1.57 C ATOM 1327 C ILE B 5 -0.224 0.279 -0.222 1.00 1.50 C ATOM 1328 O ILE B 5 0.329 -0.820 -0.216 1.00 1.31 O ATOM 1329 CB ILE B 5 1.557 1.448 -1.555 1.00 1.47 C ATOM 1330 CG1 ILE B 5 2.559 2.605 -1.531 1.00 1.55 C ATOM 1331 CG2 ILE B 5 0.792 1.439 -2.867 1.00 1.58 C ATOM 1332 CD1 ILE B 5 3.951 2.209 -1.962 1.00 1.61 C ATOM 0 H ILE B 5 2.315 1.740 0.791 1.00 1.55 H new ATOM 0 HA ILE B 5 -0.098 2.390 -0.552 1.00 1.57 H new ATOM 0 HB ILE B 5 2.104 0.509 -1.469 1.00 1.47 H new ATOM 0 HG12 ILE B 5 2.198 3.400 -2.183 1.00 1.55 H new ATOM 0 HG13 ILE B 5 2.603 3.015 -0.522 1.00 1.55 H new ATOM 0 HG21 ILE B 5 1.494 1.359 -3.697 1.00 1.58 H new ATOM 0 HG22 ILE B 5 0.110 0.589 -2.885 1.00 1.58 H new ATOM 0 HG23 ILE B 5 0.222 2.363 -2.962 1.00 1.58 H new ATOM 0 HD11 ILE B 5 4.606 3.079 -1.920 1.00 1.61 H new ATOM 0 HD12 ILE B 5 4.332 1.435 -1.295 1.00 1.61 H new ATOM 0 HD13 ILE B 5 3.921 1.826 -2.982 1.00 1.61 H new ATOM 1344 N ASP B 6 -1.531 0.434 -0.069 1.00 1.74 N ATOM 1345 CA ASP B 6 -2.421 -0.705 0.083 1.00 1.77 C ATOM 1346 C ASP B 6 -2.783 -1.278 -1.269 1.00 1.63 C ATOM 1347 O ASP B 6 -3.593 -0.703 -1.996 1.00 1.75 O ATOM 1348 CB ASP B 6 -3.716 -0.310 0.791 1.00 2.16 C ATOM 1349 CG ASP B 6 -3.494 0.394 2.113 1.00 2.37 C ATOM 1350 OD1 ASP B 6 -3.313 -0.295 3.140 1.00 2.53 O ATOM 1351 OD2 ASP B 6 -3.513 1.643 2.138 1.00 2.43 O ATOM 0 H ASP B 6 -1.999 1.340 -0.047 1.00 1.74 H new ATOM 0 HA ASP B 6 -1.891 -1.446 0.681 1.00 1.77 H new ATOM 0 HB2 ASP B 6 -4.295 0.340 0.135 1.00 2.16 H new ATOM 0 HB3 ASP B 6 -4.315 -1.205 0.962 1.00 2.16 H new ATOM 1356 N LEU B 7 -2.189 -2.404 -1.606 1.00 1.42 N ATOM 1357 CA LEU B 7 -2.482 -3.060 -2.868 1.00 1.32 C ATOM 1358 C LEU B 7 -2.668 -4.549 -2.639 1.00 1.37 C ATOM 1359 O LEU B 7 -2.691 -5.343 -3.582 1.00 1.42 O ATOM 1360 CB LEU B 7 -1.362 -2.823 -3.886 1.00 1.13 C ATOM 1361 CG LEU B 7 -1.174 -1.375 -4.333 1.00 1.41 C ATOM 1362 CD1 LEU B 7 0.066 -1.250 -5.199 1.00 1.77 C ATOM 1363 CD2 LEU B 7 -2.395 -0.873 -5.087 1.00 1.70 C ATOM 0 H LEU B 7 -1.501 -2.885 -1.026 1.00 1.42 H new ATOM 0 HA LEU B 7 -3.401 -2.635 -3.271 1.00 1.32 H new ATOM 0 HB2 LEU B 7 -0.424 -3.177 -3.457 1.00 1.13 H new ATOM 0 HB3 LEU B 7 -1.560 -3.434 -4.767 1.00 1.13 H new ATOM 0 HG LEU B 7 -1.048 -0.759 -3.443 1.00 1.41 H new ATOM 0 HD11 LEU B 7 0.189 -0.213 -5.511 1.00 1.77 H new ATOM 0 HD12 LEU B 7 0.941 -1.563 -4.629 1.00 1.77 H new ATOM 0 HD13 LEU B 7 -0.040 -1.884 -6.079 1.00 1.77 H new ATOM 0 HD21 LEU B 7 -2.234 0.161 -5.393 1.00 1.70 H new ATOM 0 HD22 LEU B 7 -2.558 -1.492 -5.969 1.00 1.70 H new ATOM 0 HD23 LEU B 7 -3.270 -0.927 -4.439 1.00 1.70 H new