USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 553 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 21 HIS : no HE2:sc= -10.8! C(o=-13!,f=-14!) USER MOD Set 1.2: A 49 SER OG : rot -102:sc= 0.538 USER MOD Set 1.3: A 53 ASN : amide:sc= -2.38 K(o=-13,f=-15!) USER MOD Set 2.1: A 36 LYS NZ :NH3+ -134:sc= 0.503 (180deg=-0.262) USER MOD Set 2.2: A 42 SER OG : rot 180:sc= 0.466 USER MOD Single : A 9 MET CE :methyl -139:sc= -1.8 (180deg=-3.53!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.773 K(o=-0.77,f=-0.18) USER MOD Single : A 18 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-0.34) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.0838 K(o=-0.084,f=-0.62) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.347 K(o=-0.35,f=-4.7!) USER MOD Single : A 33 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.015) USER MOD Single : A 38 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.46) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 159:sc= -0.332 (180deg=-1) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.686 K(o=-0.69,f=-4.3!) USER MOD Single : A 65 GLN : amide:sc= -0.37 K(o=-0.37,f=-2.6!) USER MOD Single : A 66 GLN : amide:sc= -0.331 K(o=-0.33,f=-4.3!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N MET A 9 -14.245 -6.163 3.665 1.00 1.18 N ATOM 59 CA MET A 9 -13.201 -5.344 3.059 1.00 0.82 C ATOM 60 C MET A 9 -12.530 -6.092 1.916 1.00 0.72 C ATOM 61 O MET A 9 -12.651 -7.312 1.802 1.00 0.97 O ATOM 62 CB MET A 9 -12.163 -4.964 4.112 1.00 1.08 C ATOM 63 CG MET A 9 -12.629 -3.782 4.957 1.00 1.61 C ATOM 64 SD MET A 9 -11.450 -3.350 6.248 1.00 2.27 S ATOM 65 CE MET A 9 -10.138 -2.598 5.272 1.00 2.82 C ATOM 0 HA MET A 9 -13.657 -4.438 2.660 1.00 0.82 H new ATOM 0 HB2 MET A 9 -11.969 -5.820 4.758 1.00 1.08 H new ATOM 0 HB3 MET A 9 -11.222 -4.714 3.623 1.00 1.08 H new ATOM 0 HG2 MET A 9 -12.789 -2.918 4.311 1.00 1.61 H new ATOM 0 HG3 MET A 9 -13.590 -4.021 5.412 1.00 1.61 H new ATOM 0 HE1 MET A 9 -9.170 -2.921 5.654 1.00 2.82 H new ATOM 0 HE2 MET A 9 -10.238 -2.904 4.231 1.00 2.82 H new ATOM 0 HE3 MET A 9 -10.211 -1.513 5.340 1.00 2.82 H new ATOM 75 N ASP A 10 -11.821 -5.353 1.068 1.00 0.49 N ATOM 76 CA ASP A 10 -11.127 -5.945 -0.071 1.00 0.42 C ATOM 77 C ASP A 10 -9.623 -5.750 0.062 1.00 0.38 C ATOM 78 O ASP A 10 -9.146 -4.629 0.240 1.00 0.54 O ATOM 79 CB ASP A 10 -11.620 -5.307 -1.367 1.00 0.44 C ATOM 80 CG ASP A 10 -13.139 -5.366 -1.442 1.00 0.86 C ATOM 81 OD1 ASP A 10 -13.717 -6.394 -1.029 1.00 1.53 O ATOM 82 OD2 ASP A 10 -13.749 -4.384 -1.914 1.00 1.55 O ATOM 0 H ASP A 10 -11.712 -4.342 1.148 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.340 -7.014 -0.092 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -11.287 -4.271 -1.419 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -11.187 -5.825 -2.223 1.00 0.44 H new ATOM 87 N TYR A 11 -8.878 -6.847 -0.027 1.00 0.40 N ATOM 88 CA TYR A 11 -7.424 -6.797 0.084 1.00 0.37 C ATOM 89 C TYR A 11 -6.772 -7.116 -1.254 1.00 0.34 C ATOM 90 O TYR A 11 -7.409 -7.673 -2.149 1.00 0.38 O ATOM 91 CB TYR A 11 -6.946 -7.787 1.143 1.00 0.42 C ATOM 92 CG TYR A 11 -7.365 -9.207 0.857 1.00 0.48 C ATOM 93 CD1 TYR A 11 -6.689 -9.953 -0.093 1.00 0.57 C ATOM 94 CD2 TYR A 11 -8.426 -9.771 1.544 1.00 0.54 C ATOM 95 CE1 TYR A 11 -7.075 -11.256 -0.357 1.00 0.67 C ATOM 96 CE2 TYR A 11 -8.811 -11.074 1.280 1.00 0.63 C ATOM 97 CZ TYR A 11 -8.132 -11.812 0.335 1.00 0.67 C ATOM 98 OH TYR A 11 -8.516 -13.105 0.068 1.00 0.78 O ATOM 0 H TYR A 11 -9.257 -7.782 -0.176 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.136 -5.788 0.379 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -5.859 -7.742 1.210 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.338 -7.488 2.115 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -5.859 -9.518 -0.629 1.00 0.57 H new ATOM 0 HD2 TYR A 11 -8.955 -9.193 2.288 1.00 0.54 H new ATOM 0 HE1 TYR A 11 -6.551 -11.836 -1.102 1.00 0.67 H new ATOM 0 HE2 TYR A 11 -9.642 -11.511 1.814 1.00 0.63 H new ATOM 0 HH TYR A 11 -9.274 -13.346 0.641 1.00 0.78 H new ATOM 108 N VAL A 12 -5.498 -6.761 -1.385 1.00 0.34 N ATOM 109 CA VAL A 12 -4.757 -7.008 -2.616 1.00 0.34 C ATOM 110 C VAL A 12 -3.267 -6.767 -2.398 1.00 0.35 C ATOM 111 O VAL A 12 -2.867 -5.743 -1.845 1.00 0.51 O ATOM 112 CB VAL A 12 -5.281 -6.100 -3.727 1.00 0.38 C ATOM 113 CG1 VAL A 12 -5.256 -4.638 -3.289 1.00 0.52 C ATOM 114 CG2 VAL A 12 -4.479 -6.295 -5.011 1.00 0.81 C ATOM 0 H VAL A 12 -4.957 -6.301 -0.653 1.00 0.34 H new ATOM 0 HA VAL A 12 -4.899 -8.048 -2.909 1.00 0.34 H new ATOM 0 HB VAL A 12 -6.316 -6.376 -3.929 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -5.633 -4.010 -4.096 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -5.884 -4.512 -2.407 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -4.233 -4.347 -3.051 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -4.870 -5.638 -5.788 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -3.432 -6.055 -4.826 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -4.561 -7.332 -5.337 1.00 0.81 H new ATOM 124 N GLU A 13 -2.450 -7.721 -2.833 1.00 0.49 N ATOM 125 CA GLU A 13 -1.004 -7.619 -2.685 1.00 0.54 C ATOM 126 C GLU A 13 -0.373 -7.041 -3.946 1.00 0.50 C ATOM 127 O GLU A 13 -0.557 -7.573 -5.041 1.00 0.60 O ATOM 128 CB GLU A 13 -0.414 -8.997 -2.397 1.00 0.67 C ATOM 129 CG GLU A 13 0.166 -9.076 -0.988 1.00 1.05 C ATOM 130 CD GLU A 13 0.170 -10.519 -0.500 1.00 1.43 C ATOM 131 OE1 GLU A 13 -0.927 -11.081 -0.297 1.00 2.05 O ATOM 132 OE2 GLU A 13 1.270 -11.085 -0.324 1.00 1.97 O ATOM 0 H GLU A 13 -2.767 -8.575 -3.292 1.00 0.49 H new ATOM 0 HA GLU A 13 -0.788 -6.951 -1.851 1.00 0.54 H new ATOM 0 HB2 GLU A 13 -1.187 -9.756 -2.516 1.00 0.67 H new ATOM 0 HB3 GLU A 13 0.366 -9.219 -3.125 1.00 0.67 H new ATOM 0 HG2 GLU A 13 1.181 -8.680 -0.982 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -0.421 -8.457 -0.310 1.00 1.05 H new ATOM 139 N ILE A 14 0.378 -5.956 -3.784 1.00 0.48 N ATOM 140 CA ILE A 14 1.042 -5.312 -4.911 1.00 0.49 C ATOM 141 C ILE A 14 2.509 -5.719 -4.959 1.00 0.48 C ATOM 142 O ILE A 14 3.201 -5.702 -3.941 1.00 0.43 O ATOM 143 CB ILE A 14 0.923 -3.796 -4.797 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.673 -3.288 -3.566 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.540 -3.370 -4.748 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.499 -1.783 -3.384 1.00 0.63 C ATOM 0 H ILE A 14 0.542 -5.505 -2.884 1.00 0.48 H new ATOM 0 HA ILE A 14 0.557 -5.634 -5.832 1.00 0.49 H new ATOM 0 HB ILE A 14 1.377 -3.352 -5.683 1.00 0.52 H new ATOM 0 HG12 ILE A 14 1.310 -3.807 -2.679 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.733 -3.523 -3.662 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.600 -2.285 -4.667 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -1.044 -3.694 -5.658 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -1.023 -3.826 -3.884 1.00 0.64 H new ATOM 0 HD11 ILE A 14 2.046 -1.458 -2.499 1.00 0.63 H new ATOM 0 HD12 ILE A 14 1.885 -1.263 -4.261 1.00 0.63 H new ATOM 0 HD13 ILE A 14 0.441 -1.551 -3.262 1.00 0.63 H new ATOM 158 N ASN A 15 2.977 -6.093 -6.144 1.00 0.59 N ATOM 159 CA ASN A 15 4.361 -6.513 -6.324 1.00 0.62 C ATOM 160 C ASN A 15 5.294 -5.310 -6.364 1.00 0.60 C ATOM 161 O ASN A 15 5.094 -4.380 -7.146 1.00 0.78 O ATOM 162 CB ASN A 15 4.497 -7.317 -7.615 1.00 0.79 C ATOM 163 CG ASN A 15 5.424 -8.505 -7.404 1.00 1.31 C ATOM 164 OD1 ASN A 15 6.562 -8.509 -7.873 1.00 2.20 O ATOM 165 ND2 ASN A 15 4.937 -9.517 -6.696 1.00 1.54 N ATOM 0 H ASN A 15 2.417 -6.114 -6.996 1.00 0.59 H new ATOM 0 HA ASN A 15 4.642 -7.138 -5.476 1.00 0.62 H new ATOM 0 HB2 ASN A 15 3.516 -7.666 -7.939 1.00 0.79 H new ATOM 0 HB3 ASN A 15 4.887 -6.680 -8.409 1.00 0.79 H new ATOM 0 HD21 ASN A 15 5.512 -10.341 -6.522 1.00 1.54 H new ATOM 0 HD22 ASN A 15 3.988 -9.470 -6.326 1.00 1.54 H new ATOM 172 N ILE A 16 6.322 -5.338 -5.520 1.00 0.49 N ATOM 173 CA ILE A 16 7.297 -4.254 -5.459 1.00 0.49 C ATOM 174 C ILE A 16 8.711 -4.812 -5.561 1.00 0.56 C ATOM 175 O ILE A 16 8.958 -5.967 -5.213 1.00 0.66 O ATOM 176 CB ILE A 16 7.135 -3.472 -4.159 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.693 -3.000 -3.996 1.00 0.63 C ATOM 178 CG2 ILE A 16 8.092 -2.287 -4.120 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.234 -2.172 -5.193 1.00 0.84 C ATOM 0 H ILE A 16 6.501 -6.101 -4.868 1.00 0.49 H new ATOM 0 HA ILE A 16 7.123 -3.580 -6.298 1.00 0.49 H new ATOM 0 HB ILE A 16 7.378 -4.135 -3.329 1.00 0.48 H new ATOM 0 HG12 ILE A 16 5.038 -3.863 -3.878 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.605 -2.406 -3.087 1.00 0.63 H new ATOM 0 HG21 ILE A 16 7.960 -1.743 -3.185 1.00 0.58 H new ATOM 0 HG22 ILE A 16 9.119 -2.646 -4.189 1.00 0.58 H new ATOM 0 HG23 ILE A 16 7.883 -1.623 -4.959 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.203 -1.854 -5.041 1.00 0.84 H new ATOM 0 HD12 ILE A 16 5.873 -1.295 -5.295 1.00 0.84 H new ATOM 0 HD13 ILE A 16 5.298 -2.775 -6.099 1.00 0.84 H new ATOM 191 N ASP A 17 9.635 -3.989 -6.046 1.00 0.63 N ATOM 192 CA ASP A 17 11.023 -4.405 -6.202 1.00 0.75 C ATOM 193 C ASP A 17 11.704 -4.541 -4.847 1.00 1.00 C ATOM 194 O ASP A 17 11.830 -5.643 -4.312 1.00 1.75 O ATOM 195 CB ASP A 17 11.777 -3.392 -7.059 1.00 1.27 C ATOM 196 CG ASP A 17 12.053 -3.970 -8.441 1.00 1.63 C ATOM 197 OD1 ASP A 17 13.043 -4.717 -8.586 1.00 2.16 O ATOM 198 OD2 ASP A 17 11.278 -3.677 -9.375 1.00 2.21 O ATOM 0 H ASP A 17 9.447 -3.030 -6.338 1.00 0.63 H new ATOM 0 HA ASP A 17 11.036 -5.377 -6.694 1.00 0.75 H new ATOM 0 HB2 ASP A 17 11.193 -2.476 -7.150 1.00 1.27 H new ATOM 0 HB3 ASP A 17 12.716 -3.124 -6.575 1.00 1.27 H new ATOM 203 N HIS A 18 12.147 -3.416 -4.298 1.00 1.27 N ATOM 204 CA HIS A 18 12.822 -3.406 -3.005 1.00 1.85 C ATOM 205 C HIS A 18 12.990 -1.978 -2.504 1.00 1.32 C ATOM 206 O HIS A 18 12.639 -1.661 -1.368 1.00 2.00 O ATOM 207 CB HIS A 18 14.186 -4.077 -3.128 1.00 2.83 C ATOM 208 CG HIS A 18 14.926 -4.144 -1.828 1.00 3.48 C ATOM 209 ND1 HIS A 18 15.369 -5.317 -1.273 1.00 4.01 N ATOM 210 CD2 HIS A 18 15.313 -3.177 -0.954 1.00 4.16 C ATOM 211 CE1 HIS A 18 15.987 -5.097 -0.137 1.00 4.73 C ATOM 212 NE2 HIS A 18 15.972 -3.794 0.092 1.00 4.84 N ATOM 0 H HIS A 18 12.051 -2.497 -4.729 1.00 1.27 H new ATOM 0 HA HIS A 18 12.213 -3.957 -2.288 1.00 1.85 H new ATOM 0 HB2 HIS A 18 14.054 -5.087 -3.517 1.00 2.83 H new ATOM 0 HB3 HIS A 18 14.788 -3.532 -3.855 1.00 2.83 H new ATOM 0 HD2 HIS A 18 15.137 -2.117 -1.059 1.00 4.16 H new ATOM 0 HE1 HIS A 18 16.430 -5.848 0.500 1.00 4.73 H new ATOM 0 HE2 HIS A 18 16.378 -3.325 0.902 1.00 4.84 H new ATOM 220 N LYS A 19 13.529 -1.120 -3.363 1.00 0.82 N ATOM 221 CA LYS A 19 13.746 0.279 -3.015 1.00 0.84 C ATOM 222 C LYS A 19 12.447 1.063 -3.137 1.00 0.77 C ATOM 223 O LYS A 19 12.356 2.019 -3.908 1.00 1.13 O ATOM 224 CB LYS A 19 14.807 0.884 -3.929 1.00 1.47 C ATOM 225 CG LYS A 19 16.113 0.096 -3.870 1.00 1.97 C ATOM 226 CD LYS A 19 16.428 -0.568 -5.207 1.00 2.72 C ATOM 227 CE LYS A 19 17.332 -1.785 -5.032 1.00 3.37 C ATOM 228 NZ LYS A 19 18.522 -1.710 -5.926 1.00 4.03 N ATOM 0 H LYS A 19 13.824 -1.370 -4.307 1.00 0.82 H new ATOM 0 HA LYS A 19 14.091 0.333 -1.982 1.00 0.84 H new ATOM 0 HB2 LYS A 19 14.438 0.902 -4.954 1.00 1.47 H new ATOM 0 HB3 LYS A 19 14.992 1.918 -3.639 1.00 1.47 H new ATOM 0 HG2 LYS A 19 16.929 0.763 -3.593 1.00 1.97 H new ATOM 0 HG3 LYS A 19 16.045 -0.665 -3.092 1.00 1.97 H new ATOM 0 HD2 LYS A 19 15.499 -0.871 -5.691 1.00 2.72 H new ATOM 0 HD3 LYS A 19 16.911 0.153 -5.867 1.00 2.72 H new ATOM 0 HE2 LYS A 19 17.658 -1.852 -3.994 1.00 3.37 H new ATOM 0 HE3 LYS A 19 16.769 -2.693 -5.248 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 19.117 -2.551 -5.784 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 18.210 -1.671 -6.917 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 19.071 -0.856 -5.702 1.00 4.03 H new ATOM 242 N PHE A 20 11.439 0.651 -2.374 1.00 0.63 N ATOM 243 CA PHE A 20 10.141 1.312 -2.397 1.00 0.61 C ATOM 244 C PHE A 20 9.708 1.690 -0.988 1.00 0.62 C ATOM 245 O PHE A 20 9.585 2.870 -0.662 1.00 0.95 O ATOM 246 CB PHE A 20 9.097 0.392 -3.022 1.00 0.62 C ATOM 247 CG PHE A 20 8.882 0.650 -4.490 1.00 0.75 C ATOM 248 CD1 PHE A 20 9.826 0.235 -5.414 1.00 1.08 C ATOM 249 CD2 PHE A 20 7.741 1.305 -4.922 1.00 0.96 C ATOM 250 CE1 PHE A 20 9.629 0.473 -6.763 1.00 1.26 C ATOM 251 CE2 PHE A 20 7.545 1.544 -6.270 1.00 1.17 C ATOM 252 CZ PHE A 20 8.484 1.122 -7.191 1.00 1.19 C ATOM 0 H PHE A 20 11.498 -0.139 -1.731 1.00 0.63 H new ATOM 0 HA PHE A 20 10.229 2.220 -2.994 1.00 0.61 H new ATOM 0 HB2 PHE A 20 9.405 -0.644 -2.883 1.00 0.62 H new ATOM 0 HB3 PHE A 20 8.151 0.516 -2.495 1.00 0.62 H new ATOM 0 HD1 PHE A 20 10.718 -0.275 -5.081 1.00 1.08 H new ATOM 0 HD2 PHE A 20 7.002 1.630 -4.204 1.00 0.96 H new ATOM 0 HE1 PHE A 20 10.369 0.152 -7.482 1.00 1.26 H new ATOM 0 HE2 PHE A 20 6.657 2.061 -6.603 1.00 1.17 H new ATOM 0 HZ PHE A 20 8.325 1.298 -8.245 1.00 1.19 H new ATOM 262 N HIS A 21 9.480 0.675 -0.155 1.00 0.53 N ATOM 263 CA HIS A 21 9.053 0.882 1.231 1.00 0.57 C ATOM 264 C HIS A 21 9.803 2.042 1.869 1.00 0.69 C ATOM 265 O HIS A 21 9.196 3.013 2.318 1.00 1.03 O ATOM 266 CB HIS A 21 9.295 -0.384 2.043 1.00 0.54 C ATOM 267 CG HIS A 21 8.515 -1.564 1.546 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.260 -2.670 2.313 1.00 0.48 N ATOM 269 CD2 HIS A 21 7.915 -1.821 0.353 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.550 -3.552 1.648 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.320 -3.065 0.440 1.00 0.42 N ATOM 0 H HIS A 21 9.584 -0.305 -0.417 1.00 0.53 H new ATOM 0 HA HIS A 21 7.989 1.119 1.224 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.358 -0.624 2.021 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.032 -0.196 3.084 1.00 0.54 H new ATOM 0 HD1 HIS A 21 8.580 -2.792 3.274 1.00 0.48 H new ATOM 0 HD2 HIS A 21 7.905 -1.169 -0.508 1.00 0.44 H new ATOM 0 HE1 HIS A 21 7.213 -4.508 2.022 1.00 0.45 H new ATOM 279 N ARG A 22 11.131 1.935 1.904 1.00 0.68 N ATOM 280 CA ARG A 22 11.974 2.973 2.489 1.00 0.80 C ATOM 281 C ARG A 22 11.514 4.360 2.045 1.00 0.81 C ATOM 282 O ARG A 22 11.678 5.340 2.771 1.00 0.92 O ATOM 283 CB ARG A 22 13.429 2.758 2.085 1.00 0.93 C ATOM 284 CG ARG A 22 14.376 3.585 2.952 1.00 1.64 C ATOM 285 CD ARG A 22 15.824 3.135 2.791 1.00 2.14 C ATOM 286 NE ARG A 22 16.608 3.533 3.954 1.00 2.73 N ATOM 287 CZ ARG A 22 17.684 2.854 4.337 1.00 3.33 C ATOM 288 NH1 ARG A 22 18.600 2.498 3.445 1.00 3.72 N ATOM 289 NH2 ARG A 22 17.847 2.531 5.613 1.00 3.95 N ATOM 0 H ARG A 22 11.646 1.137 1.532 1.00 0.68 H new ATOM 0 HA ARG A 22 11.889 2.909 3.574 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.681 1.701 2.175 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.561 3.030 1.038 1.00 0.93 H new ATOM 0 HG2 ARG A 22 14.290 4.638 2.683 1.00 1.64 H new ATOM 0 HG3 ARG A 22 14.082 3.498 3.998 1.00 1.64 H new ATOM 0 HD2 ARG A 22 15.865 2.053 2.669 1.00 2.14 H new ATOM 0 HD3 ARG A 22 16.250 3.573 1.889 1.00 2.14 H new ATOM 0 HE ARG A 22 16.323 4.354 4.488 1.00 2.73 H new ATOM 0 HH11 ARG A 22 18.479 2.746 2.463 1.00 3.72 H new ATOM 0 HH12 ARG A 22 19.425 1.977 3.742 1.00 3.72 H new ATOM 0 HH21 ARG A 22 17.146 2.804 6.302 1.00 3.95 H new ATOM 0 HH22 ARG A 22 18.673 2.010 5.906 1.00 3.95 H new ATOM 303 N HIS A 23 10.930 4.429 0.852 1.00 0.90 N ATOM 304 CA HIS A 23 10.438 5.692 0.315 1.00 0.98 C ATOM 305 C HIS A 23 9.082 6.025 0.916 1.00 0.96 C ATOM 306 O HIS A 23 8.956 6.976 1.688 1.00 1.12 O ATOM 307 CB HIS A 23 10.334 5.613 -1.205 1.00 1.02 C ATOM 308 CG HIS A 23 10.399 6.954 -1.866 1.00 1.30 C ATOM 309 ND1 HIS A 23 9.893 8.097 -1.303 1.00 1.83 N ATOM 310 CD2 HIS A 23 10.915 7.351 -3.057 1.00 1.56 C ATOM 311 CE1 HIS A 23 10.081 9.132 -2.087 1.00 2.07 C ATOM 312 NE2 HIS A 23 10.707 8.712 -3.175 1.00 1.86 N ATOM 0 H HIS A 23 10.786 3.626 0.240 1.00 0.90 H new ATOM 0 HA HIS A 23 11.142 6.482 0.578 1.00 0.98 H new ATOM 0 HB2 HIS A 23 11.140 4.986 -1.587 1.00 1.02 H new ATOM 0 HB3 HIS A 23 9.397 5.126 -1.475 1.00 1.02 H new ATOM 0 HD2 HIS A 23 11.401 6.716 -3.783 1.00 1.56 H new ATOM 0 HE1 HIS A 23 9.778 10.148 -1.881 1.00 2.07 H new ATOM 0 HE2 HIS A 23 10.988 9.293 -3.965 1.00 1.86 H new ATOM 320 N LEU A 24 8.062 5.236 0.571 1.00 0.86 N ATOM 321 CA LEU A 24 6.722 5.455 1.094 1.00 0.87 C ATOM 322 C LEU A 24 6.771 5.640 2.607 1.00 0.97 C ATOM 323 O LEU A 24 6.017 6.435 3.169 1.00 1.16 O ATOM 324 CB LEU A 24 5.817 4.276 0.728 1.00 0.73 C ATOM 325 CG LEU A 24 5.984 3.808 -0.733 1.00 0.76 C ATOM 326 CD1 LEU A 24 6.436 4.934 -1.671 1.00 1.25 C ATOM 327 CD2 LEU A 24 6.934 2.617 -0.819 1.00 0.72 C ATOM 0 H LEU A 24 8.143 4.444 -0.066 1.00 0.86 H new ATOM 0 HA LEU A 24 6.312 6.361 0.648 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.031 3.442 1.396 1.00 0.73 H new ATOM 0 HB3 LEU A 24 4.778 4.559 0.895 1.00 0.73 H new ATOM 0 HG LEU A 24 4.997 3.495 -1.073 1.00 0.76 H new ATOM 0 HD11 LEU A 24 6.536 4.545 -2.684 1.00 1.25 H new ATOM 0 HD12 LEU A 24 5.696 5.735 -1.661 1.00 1.25 H new ATOM 0 HD13 LEU A 24 7.397 5.324 -1.335 1.00 1.25 H new ATOM 0 HD21 LEU A 24 7.035 2.306 -1.859 1.00 0.72 H new ATOM 0 HD22 LEU A 24 7.911 2.902 -0.429 1.00 0.72 H new ATOM 0 HD23 LEU A 24 6.536 1.791 -0.230 1.00 0.72 H new ATOM 339 N ILE A 25 7.682 4.919 3.260 1.00 0.92 N ATOM 340 CA ILE A 25 7.840 5.029 4.704 1.00 1.10 C ATOM 341 C ILE A 25 9.090 5.853 5.026 1.00 1.41 C ATOM 342 O ILE A 25 10.220 5.417 4.799 1.00 1.91 O ATOM 343 CB ILE A 25 7.872 3.632 5.362 1.00 0.94 C ATOM 344 CG1 ILE A 25 9.277 3.026 5.426 1.00 0.90 C ATOM 345 CG2 ILE A 25 6.928 2.671 4.642 1.00 1.06 C ATOM 346 CD1 ILE A 25 9.248 1.637 6.053 1.00 0.91 C ATOM 0 H ILE A 25 8.317 4.257 2.813 1.00 0.92 H new ATOM 0 HA ILE A 25 6.980 5.551 5.123 1.00 1.10 H new ATOM 0 HB ILE A 25 7.537 3.777 6.389 1.00 0.94 H new ATOM 0 HG12 ILE A 25 9.697 2.966 4.422 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.931 3.677 6.007 1.00 0.90 H new ATOM 0 HG21 ILE A 25 6.967 1.694 5.123 1.00 1.06 H new ATOM 0 HG22 ILE A 25 5.910 3.058 4.689 1.00 1.06 H new ATOM 0 HG23 ILE A 25 7.232 2.575 3.600 1.00 1.06 H new ATOM 0 HD11 ILE A 25 10.259 1.231 6.085 1.00 0.91 H new ATOM 0 HD12 ILE A 25 8.851 1.703 7.066 1.00 0.91 H new ATOM 0 HD13 ILE A 25 8.613 0.982 5.457 1.00 0.91 H new ATOM 358 N GLY A 26 8.875 7.059 5.534 1.00 1.49 N ATOM 359 CA GLY A 26 9.972 7.959 5.873 1.00 1.87 C ATOM 360 C GLY A 26 10.784 7.416 7.040 1.00 1.82 C ATOM 361 O GLY A 26 12.014 7.389 6.994 1.00 2.29 O ATOM 0 H GLY A 26 7.947 7.439 5.721 1.00 1.49 H new ATOM 0 HA2 GLY A 26 10.619 8.092 5.006 1.00 1.87 H new ATOM 0 HA3 GLY A 26 9.575 8.942 6.128 1.00 1.87 H new ATOM 365 N LYS A 27 10.089 6.985 8.088 1.00 1.86 N ATOM 366 CA LYS A 27 10.746 6.443 9.272 1.00 1.91 C ATOM 367 C LYS A 27 10.166 5.082 9.630 1.00 1.62 C ATOM 368 O LYS A 27 10.747 4.044 9.308 1.00 2.38 O ATOM 369 CB LYS A 27 10.578 7.403 10.446 1.00 2.21 C ATOM 370 CG LYS A 27 11.612 8.526 10.405 1.00 2.65 C ATOM 371 CD LYS A 27 12.084 8.909 11.805 1.00 3.30 C ATOM 372 CE LYS A 27 12.583 10.351 11.853 1.00 3.80 C ATOM 373 NZ LYS A 27 13.878 10.451 12.582 1.00 4.51 N ATOM 0 H LYS A 27 9.071 7.001 8.141 1.00 1.86 H new ATOM 0 HA LYS A 27 11.807 6.323 9.055 1.00 1.91 H new ATOM 0 HB2 LYS A 27 9.575 7.830 10.427 1.00 2.21 H new ATOM 0 HB3 LYS A 27 10.673 6.854 11.383 1.00 2.21 H new ATOM 0 HG2 LYS A 27 12.467 8.212 9.806 1.00 2.65 H new ATOM 0 HG3 LYS A 27 11.182 9.399 9.914 1.00 2.65 H new ATOM 0 HD2 LYS A 27 11.265 8.783 12.513 1.00 3.30 H new ATOM 0 HD3 LYS A 27 12.883 8.236 12.118 1.00 3.30 H new ATOM 0 HE2 LYS A 27 12.704 10.730 10.838 1.00 3.80 H new ATOM 0 HE3 LYS A 27 11.839 10.980 12.342 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 14.192 11.442 12.598 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 13.755 10.111 13.557 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 14.593 9.869 12.101 1.00 4.51 H new ATOM 387 N SER A 28 9.018 5.090 10.299 1.00 1.28 N ATOM 388 CA SER A 28 8.359 3.854 10.704 1.00 1.60 C ATOM 389 C SER A 28 6.989 3.735 10.050 1.00 1.60 C ATOM 390 O SER A 28 6.044 3.227 10.656 1.00 2.28 O ATOM 391 CB SER A 28 8.213 3.813 12.221 1.00 1.99 C ATOM 392 OG SER A 28 7.338 4.843 12.660 1.00 2.57 O ATOM 0 H SER A 28 8.524 5.940 10.572 1.00 1.28 H new ATOM 0 HA SER A 28 8.973 3.014 10.379 1.00 1.60 H new ATOM 0 HB2 SER A 28 7.826 2.842 12.530 1.00 1.99 H new ATOM 0 HB3 SER A 28 9.190 3.931 12.691 1.00 1.99 H new ATOM 0 HG SER A 28 7.251 4.805 13.635 1.00 2.57 H new ATOM 398 N GLY A 29 6.883 4.202 8.810 1.00 1.21 N ATOM 399 CA GLY A 29 5.623 4.144 8.077 1.00 1.23 C ATOM 400 C GLY A 29 4.667 5.234 8.537 1.00 1.36 C ATOM 401 O GLY A 29 3.798 5.000 9.378 1.00 2.05 O ATOM 0 H GLY A 29 7.654 4.624 8.292 1.00 1.21 H new ATOM 0 HA2 GLY A 29 5.815 4.252 7.010 1.00 1.23 H new ATOM 0 HA3 GLY A 29 5.161 3.167 8.220 1.00 1.23 H new ATOM 405 N ALA A 30 4.832 6.429 7.976 1.00 1.00 N ATOM 406 CA ALA A 30 3.984 7.563 8.318 1.00 1.10 C ATOM 407 C ALA A 30 3.042 7.884 7.166 1.00 1.06 C ATOM 408 O ALA A 30 1.849 8.112 7.371 1.00 1.43 O ATOM 409 CB ALA A 30 4.845 8.783 8.639 1.00 1.27 C ATOM 0 H ALA A 30 5.549 6.636 7.280 1.00 1.00 H new ATOM 0 HA ALA A 30 3.392 7.303 9.196 1.00 1.10 H new ATOM 0 HB1 ALA A 30 4.202 9.625 8.893 1.00 1.27 H new ATOM 0 HB2 ALA A 30 5.497 8.556 9.483 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.452 9.039 7.770 1.00 1.27 H new ATOM 415 N ASN A 31 3.583 7.898 5.951 1.00 0.73 N ATOM 416 CA ASN A 31 2.790 8.185 4.762 1.00 0.69 C ATOM 417 C ASN A 31 1.609 7.229 4.673 1.00 0.60 C ATOM 418 O ASN A 31 0.555 7.573 4.134 1.00 0.58 O ATOM 419 CB ASN A 31 3.657 8.058 3.514 1.00 0.71 C ATOM 420 CG ASN A 31 3.324 9.166 2.523 1.00 1.24 C ATOM 421 OD1 ASN A 31 2.268 9.792 2.607 1.00 1.91 O ATOM 422 ND2 ASN A 31 4.228 9.408 1.580 1.00 1.42 N ATOM 0 H ASN A 31 4.569 7.714 5.765 1.00 0.73 H new ATOM 0 HA ASN A 31 2.412 9.205 4.831 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.711 8.111 3.788 1.00 0.71 H new ATOM 0 HB3 ASN A 31 3.497 7.085 3.049 1.00 0.71 H new ATOM 0 HD21 ASN A 31 4.060 10.138 0.888 1.00 1.42 H new ATOM 0 HD22 ASN A 31 5.090 8.864 1.548 1.00 1.42 H new ATOM 429 N ILE A 32 1.789 6.026 5.210 1.00 0.58 N ATOM 430 CA ILE A 32 0.739 5.013 5.200 1.00 0.56 C ATOM 431 C ILE A 32 -0.566 5.597 5.726 1.00 0.52 C ATOM 432 O ILE A 32 -1.652 5.180 5.324 1.00 0.51 O ATOM 433 CB ILE A 32 1.156 3.820 6.052 1.00 0.63 C ATOM 434 CG1 ILE A 32 1.293 4.227 7.517 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.461 3.217 5.541 1.00 0.69 C ATOM 436 CD1 ILE A 32 1.584 3.024 8.407 1.00 1.07 C ATOM 0 H ILE A 32 2.655 5.728 5.659 1.00 0.58 H new ATOM 0 HA ILE A 32 0.585 4.681 4.173 1.00 0.56 H new ATOM 0 HB ILE A 32 0.377 3.061 5.976 1.00 0.63 H new ATOM 0 HG12 ILE A 32 2.095 4.958 7.619 1.00 0.70 H new ATOM 0 HG13 ILE A 32 0.375 4.712 7.848 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.738 2.367 6.165 1.00 0.69 H new ATOM 0 HG22 ILE A 32 2.329 2.884 4.512 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.249 3.969 5.581 1.00 0.69 H new ATOM 0 HD11 ILE A 32 1.675 3.351 9.443 1.00 1.07 H new ATOM 0 HD12 ILE A 32 0.769 2.305 8.324 1.00 1.07 H new ATOM 0 HD13 ILE A 32 2.516 2.555 8.091 1.00 1.07 H new ATOM 448 N ASN A 33 -0.450 6.567 6.627 1.00 0.56 N ATOM 449 CA ASN A 33 -1.618 7.215 7.209 1.00 0.59 C ATOM 450 C ASN A 33 -2.209 8.218 6.228 1.00 0.54 C ATOM 451 O ASN A 33 -3.420 8.438 6.204 1.00 0.55 O ATOM 452 CB ASN A 33 -1.233 7.922 8.505 1.00 0.71 C ATOM 453 CG ASN A 33 -2.313 7.714 9.560 1.00 0.97 C ATOM 454 OD1 ASN A 33 -2.925 8.670 10.034 1.00 1.51 O ATOM 455 ND2 ASN A 33 -2.546 6.460 9.927 1.00 1.62 N ATOM 0 H ASN A 33 0.443 6.922 6.970 1.00 0.56 H new ATOM 0 HA ASN A 33 -2.366 6.453 7.428 1.00 0.59 H new ATOM 0 HB2 ASN A 33 -0.280 7.537 8.869 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -1.096 8.987 8.320 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -3.257 6.258 10.629 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -2.014 5.698 9.507 1.00 1.62 H new ATOM 462 N ARG A 34 -1.348 8.822 5.416 1.00 0.55 N ATOM 463 CA ARG A 34 -1.785 9.800 4.429 1.00 0.56 C ATOM 464 C ARG A 34 -2.762 9.163 3.451 1.00 0.48 C ATOM 465 O ARG A 34 -3.835 9.706 3.187 1.00 0.48 O ATOM 466 CB ARG A 34 -0.580 10.355 3.673 1.00 0.65 C ATOM 467 CG ARG A 34 -0.677 11.867 3.496 1.00 0.89 C ATOM 468 CD ARG A 34 0.651 12.554 3.803 1.00 1.22 C ATOM 469 NE ARG A 34 0.696 13.873 3.183 1.00 1.69 N ATOM 470 CZ ARG A 34 1.457 14.848 3.670 1.00 2.27 C ATOM 471 NH1 ARG A 34 2.561 14.559 4.344 1.00 2.90 N ATOM 472 NH2 ARG A 34 1.112 16.115 3.483 1.00 2.78 N ATOM 0 H ARG A 34 -0.343 8.651 5.423 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.288 10.617 4.946 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.334 10.109 4.213 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.511 9.877 2.696 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -0.978 12.096 2.474 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -1.452 12.262 4.153 1.00 0.89 H new ATOM 0 HD2 ARG A 34 0.779 12.648 4.881 1.00 1.22 H new ATOM 0 HD3 ARG A 34 1.477 11.944 3.436 1.00 1.22 H new ATOM 0 HE ARG A 34 0.129 14.052 2.354 1.00 1.69 H new ATOM 0 HH11 ARG A 34 2.829 13.586 4.490 1.00 2.90 H new ATOM 0 HH12 ARG A 34 3.143 15.310 4.716 1.00 2.90 H new ATOM 0 HH21 ARG A 34 0.263 16.341 2.965 1.00 2.78 H new ATOM 0 HH22 ARG A 34 1.696 16.863 3.857 1.00 2.78 H new ATOM 486 N ILE A 35 -2.388 8.003 2.920 1.00 0.45 N ATOM 487 CA ILE A 35 -3.235 7.284 1.975 1.00 0.40 C ATOM 488 C ILE A 35 -4.455 6.718 2.692 1.00 0.34 C ATOM 489 O ILE A 35 -5.593 7.050 2.363 1.00 0.34 O ATOM 490 CB ILE A 35 -2.443 6.156 1.315 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.257 6.718 0.535 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.335 5.323 0.398 1.00 0.40 C ATOM 493 CD1 ILE A 35 -0.023 6.872 1.419 1.00 1.29 C ATOM 0 H ILE A 35 -1.503 7.541 3.128 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.571 7.977 1.203 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.065 5.505 2.104 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -1.026 6.058 -0.301 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -1.525 7.686 0.112 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -2.746 4.528 -0.058 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.147 4.885 0.979 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -3.750 5.960 -0.383 1.00 0.40 H new ATOM 0 HD11 ILE A 35 0.800 7.274 0.828 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -0.247 7.552 2.241 1.00 1.29 H new ATOM 0 HD13 ILE A 35 0.261 5.899 1.821 1.00 1.29 H new ATOM 505 N LYS A 36 -4.205 5.865 3.683 1.00 0.35 N ATOM 506 CA LYS A 36 -5.271 5.244 4.469 1.00 0.36 C ATOM 507 C LYS A 36 -6.336 6.270 4.844 1.00 0.39 C ATOM 508 O LYS A 36 -7.518 5.941 4.954 1.00 0.51 O ATOM 509 CB LYS A 36 -4.679 4.627 5.734 1.00 0.44 C ATOM 510 CG LYS A 36 -5.754 4.000 6.616 1.00 1.09 C ATOM 511 CD LYS A 36 -5.546 4.345 8.088 1.00 1.41 C ATOM 512 CE LYS A 36 -5.440 3.090 8.950 1.00 2.17 C ATOM 513 NZ LYS A 36 -6.679 2.266 8.860 1.00 2.76 N ATOM 0 H LYS A 36 -3.265 5.586 3.963 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.740 4.466 3.866 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -3.946 3.868 5.459 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -4.148 5.394 6.298 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -6.736 4.347 6.296 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -5.742 2.917 6.490 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -4.640 4.940 8.198 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -6.375 4.959 8.439 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -4.583 2.498 8.630 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -5.263 3.373 9.988 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -6.970 1.972 9.814 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -7.438 2.827 8.424 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -6.494 1.423 8.279 1.00 2.76 H new ATOM 527 N ASP A 37 -5.910 7.514 5.034 1.00 0.40 N ATOM 528 CA ASP A 37 -6.825 8.592 5.391 1.00 0.45 C ATOM 529 C ASP A 37 -7.410 9.225 4.136 1.00 0.44 C ATOM 530 O ASP A 37 -8.579 9.614 4.111 1.00 0.60 O ATOM 531 CB ASP A 37 -6.091 9.650 6.208 1.00 0.51 C ATOM 532 CG ASP A 37 -7.088 10.513 6.970 1.00 0.82 C ATOM 533 OD1 ASP A 37 -8.194 10.019 7.272 1.00 1.56 O ATOM 534 OD2 ASP A 37 -6.761 11.682 7.264 1.00 1.37 O ATOM 0 H ASP A 37 -4.935 7.801 4.947 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.637 8.177 5.989 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.406 9.170 6.907 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -5.488 10.275 5.549 1.00 0.51 H new ATOM 539 N GLN A 38 -6.591 9.321 3.094 1.00 0.41 N ATOM 540 CA GLN A 38 -7.020 9.904 1.829 1.00 0.46 C ATOM 541 C GLN A 38 -8.010 8.985 1.131 1.00 0.42 C ATOM 542 O GLN A 38 -9.171 9.342 0.928 1.00 0.68 O ATOM 543 CB GLN A 38 -5.811 10.133 0.927 1.00 0.54 C ATOM 544 CG GLN A 38 -6.107 11.138 -0.174 1.00 0.65 C ATOM 545 CD GLN A 38 -6.617 12.447 0.416 1.00 1.05 C ATOM 546 OE1 GLN A 38 -6.017 13.001 1.336 1.00 1.65 O ATOM 547 NE2 GLN A 38 -7.730 12.940 -0.115 1.00 1.66 N ATOM 0 H GLN A 38 -5.623 9.001 3.102 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.506 10.858 2.033 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -4.973 10.488 1.527 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.506 9.186 0.482 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.205 11.323 -0.757 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -6.850 10.728 -0.858 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -8.194 12.446 -0.877 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -8.121 13.813 0.239 1.00 1.66 H new ATOM 556 N TYR A 39 -7.541 7.799 0.761 1.00 0.34 N ATOM 557 CA TYR A 39 -8.379 6.820 0.078 1.00 0.34 C ATOM 558 C TYR A 39 -9.253 6.042 1.061 1.00 0.30 C ATOM 559 O TYR A 39 -9.956 5.112 0.666 1.00 0.32 O ATOM 560 CB TYR A 39 -7.505 5.856 -0.717 1.00 0.39 C ATOM 561 CG TYR A 39 -6.759 6.527 -1.844 1.00 0.46 C ATOM 562 CD1 TYR A 39 -5.650 7.311 -1.572 1.00 0.53 C ATOM 563 CD2 TYR A 39 -7.176 6.361 -3.152 1.00 0.64 C ATOM 564 CE1 TYR A 39 -4.964 7.926 -2.605 1.00 0.62 C ATOM 565 CE2 TYR A 39 -6.491 6.977 -4.185 1.00 0.73 C ATOM 566 CZ TYR A 39 -5.387 7.756 -3.906 1.00 0.66 C ATOM 567 OH TYR A 39 -4.705 8.366 -4.934 1.00 0.77 O ATOM 0 H TYR A 39 -6.582 7.491 0.923 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.040 7.360 -0.600 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.788 5.385 -0.044 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.129 5.061 -1.125 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.320 7.443 -0.552 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -8.039 5.749 -3.368 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -4.100 8.537 -2.392 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -6.820 6.848 -5.206 1.00 0.73 H new ATOM 0 HH TYR A 39 -5.132 8.143 -5.787 1.00 0.77 H new ATOM 577 N LYS A 40 -9.216 6.416 2.344 1.00 0.28 N ATOM 578 CA LYS A 40 -10.013 5.733 3.363 1.00 0.31 C ATOM 579 C LYS A 40 -9.832 4.224 3.249 1.00 0.29 C ATOM 580 O LYS A 40 -10.803 3.467 3.242 1.00 0.39 O ATOM 581 CB LYS A 40 -11.488 6.093 3.202 1.00 0.38 C ATOM 582 CG LYS A 40 -12.334 5.502 4.326 1.00 0.86 C ATOM 583 CD LYS A 40 -13.468 6.440 4.732 1.00 1.29 C ATOM 584 CE LYS A 40 -13.759 6.352 6.228 1.00 1.88 C ATOM 585 NZ LYS A 40 -14.695 5.233 6.534 1.00 2.56 N ATOM 0 H LYS A 40 -8.645 7.184 2.698 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.673 6.056 4.347 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.600 7.177 3.192 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -11.850 5.727 2.241 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -12.749 4.547 4.005 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -11.701 5.300 5.190 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -13.205 7.465 4.471 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -14.368 6.189 4.170 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -12.827 6.208 6.774 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -14.189 7.293 6.573 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -14.873 5.199 7.558 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -15.593 5.384 6.031 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -14.273 4.334 6.226 1.00 2.56 H new ATOM 599 N VAL A 41 -8.579 3.802 3.141 1.00 0.23 N ATOM 600 CA VAL A 41 -8.246 2.390 3.004 1.00 0.23 C ATOM 601 C VAL A 41 -7.320 1.952 4.146 1.00 0.27 C ATOM 602 O VAL A 41 -7.445 2.450 5.262 1.00 0.33 O ATOM 603 CB VAL A 41 -7.605 2.182 1.632 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.609 2.495 0.531 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.366 3.057 1.480 1.00 0.23 C ATOM 0 H VAL A 41 -7.770 4.423 3.146 1.00 0.23 H new ATOM 0 HA VAL A 41 -9.142 1.773 3.071 1.00 0.23 H new ATOM 0 HB VAL A 41 -7.302 1.138 1.547 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -8.141 2.343 -0.442 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -9.471 1.835 0.626 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.935 3.531 0.619 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.924 2.894 0.497 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.646 4.105 1.583 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.641 2.798 2.251 1.00 0.23 H new ATOM 615 N SER A 42 -6.401 1.019 3.880 1.00 0.29 N ATOM 616 CA SER A 42 -5.481 0.533 4.902 1.00 0.34 C ATOM 617 C SER A 42 -4.234 -0.055 4.253 1.00 0.30 C ATOM 618 O SER A 42 -4.198 -1.238 3.917 1.00 0.36 O ATOM 619 CB SER A 42 -6.166 -0.524 5.762 1.00 0.43 C ATOM 620 OG SER A 42 -6.078 -0.176 7.137 1.00 0.93 O ATOM 0 H SER A 42 -6.278 0.588 2.964 1.00 0.29 H new ATOM 0 HA SER A 42 -5.187 1.371 5.534 1.00 0.34 H new ATOM 0 HB2 SER A 42 -7.212 -0.618 5.470 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.700 -1.495 5.595 1.00 0.43 H new ATOM 0 HG SER A 42 -6.523 -0.862 7.677 1.00 0.93 H new ATOM 626 N VAL A 43 -3.217 0.781 4.074 1.00 0.33 N ATOM 627 CA VAL A 43 -1.968 0.347 3.460 1.00 0.34 C ATOM 628 C VAL A 43 -0.981 -0.119 4.522 1.00 0.35 C ATOM 629 O VAL A 43 -0.959 0.404 5.636 1.00 0.55 O ATOM 630 CB VAL A 43 -1.356 1.490 2.654 1.00 0.49 C ATOM 631 CG1 VAL A 43 -1.030 2.674 3.560 1.00 1.25 C ATOM 632 CG2 VAL A 43 -0.111 1.020 1.910 1.00 0.54 C ATOM 0 H VAL A 43 -3.233 1.764 4.346 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.185 -0.488 2.794 1.00 0.34 H new ATOM 0 HB VAL A 43 -2.089 1.817 1.916 1.00 0.49 H new ATOM 0 HG11 VAL A 43 -0.595 3.478 2.966 1.00 1.25 H new ATOM 0 HG12 VAL A 43 -1.943 3.029 4.037 1.00 1.25 H new ATOM 0 HG13 VAL A 43 -0.319 2.362 4.325 1.00 1.25 H new ATOM 0 HG21 VAL A 43 0.309 1.850 1.342 1.00 0.54 H new ATOM 0 HG22 VAL A 43 0.627 0.661 2.627 1.00 0.54 H new ATOM 0 HG23 VAL A 43 -0.378 0.212 1.228 1.00 0.54 H new ATOM 642 N ARG A 44 -0.164 -1.104 4.167 1.00 0.31 N ATOM 643 CA ARG A 44 0.829 -1.645 5.084 1.00 0.42 C ATOM 644 C ARG A 44 2.131 -1.935 4.349 1.00 0.40 C ATOM 645 O ARG A 44 2.158 -2.714 3.396 1.00 0.41 O ATOM 646 CB ARG A 44 0.301 -2.922 5.731 1.00 0.52 C ATOM 647 CG ARG A 44 -1.136 -2.748 6.215 1.00 0.78 C ATOM 648 CD ARG A 44 -1.752 -4.079 6.635 1.00 1.05 C ATOM 649 NE ARG A 44 -1.032 -4.636 7.775 1.00 1.31 N ATOM 650 CZ ARG A 44 -1.363 -5.809 8.304 1.00 1.74 C ATOM 651 NH1 ARG A 44 -2.615 -6.044 8.671 1.00 2.28 N ATOM 652 NH2 ARG A 44 -0.440 -6.749 8.468 1.00 2.27 N ATOM 0 H ARG A 44 -0.171 -1.545 3.247 1.00 0.31 H new ATOM 0 HA ARG A 44 1.024 -0.905 5.860 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.348 -3.741 5.014 1.00 0.52 H new ATOM 0 HB3 ARG A 44 0.939 -3.197 6.571 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -1.156 -2.056 7.057 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -1.736 -2.303 5.422 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -2.801 -3.936 6.894 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -1.723 -4.780 5.801 1.00 1.05 H new ATOM 0 HE ARG A 44 -0.255 -4.112 8.176 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -3.326 -5.324 8.547 1.00 2.28 H new ATOM 0 HH12 ARG A 44 -2.867 -6.945 9.077 1.00 2.28 H new ATOM 0 HH21 ARG A 44 0.524 -6.571 8.188 1.00 2.27 H new ATOM 0 HH22 ARG A 44 -0.695 -7.649 8.874 1.00 2.27 H new ATOM 666 N ILE A 45 3.208 -1.296 4.794 1.00 0.46 N ATOM 667 CA ILE A 45 4.519 -1.476 4.182 1.00 0.47 C ATOM 668 C ILE A 45 5.387 -2.392 5.048 1.00 0.53 C ATOM 669 O ILE A 45 5.965 -1.954 6.044 1.00 0.64 O ATOM 670 CB ILE A 45 5.186 -0.105 3.998 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.474 0.691 2.902 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.678 -0.233 3.685 1.00 0.60 C ATOM 673 CD1 ILE A 45 4.818 0.175 1.503 1.00 0.56 C ATOM 0 H ILE A 45 3.198 -0.646 5.580 1.00 0.46 H new ATOM 0 HA ILE A 45 4.404 -1.947 3.206 1.00 0.47 H new ATOM 0 HB ILE A 45 5.097 0.433 4.942 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.396 0.634 3.055 1.00 0.59 H new ATOM 0 HG13 ILE A 45 4.752 1.742 2.979 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.111 0.760 3.562 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.179 -0.748 4.505 1.00 0.60 H new ATOM 0 HG23 ILE A 45 6.809 -0.802 2.765 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.291 0.769 0.756 1.00 0.56 H new ATOM 0 HD12 ILE A 45 5.892 0.257 1.339 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.516 -0.869 1.416 1.00 0.56 H new ATOM 685 N PRO A 46 5.493 -3.681 4.677 1.00 0.48 N ATOM 686 CA PRO A 46 6.300 -4.650 5.426 1.00 0.58 C ATOM 687 C PRO A 46 7.792 -4.489 5.137 1.00 0.61 C ATOM 688 O PRO A 46 8.231 -4.672 4.001 1.00 0.56 O ATOM 689 CB PRO A 46 5.786 -6.000 4.934 1.00 0.57 C ATOM 690 CG PRO A 46 5.229 -5.743 3.572 1.00 0.47 C ATOM 691 CD PRO A 46 4.841 -4.288 3.505 1.00 0.41 C ATOM 0 HA PRO A 46 6.206 -4.525 6.505 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.589 -6.736 4.897 1.00 0.57 H new ATOM 0 HB3 PRO A 46 5.021 -6.396 5.602 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.968 -5.978 2.806 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.364 -6.379 3.386 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.182 -3.828 2.578 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.759 -4.163 3.543 1.00 0.41 H new ATOM 699 N PRO A 47 8.595 -4.143 6.159 1.00 0.74 N ATOM 700 CA PRO A 47 10.040 -3.961 5.992 1.00 0.81 C ATOM 701 C PRO A 47 10.788 -5.289 5.972 1.00 0.87 C ATOM 702 O PRO A 47 11.886 -5.387 5.423 1.00 1.53 O ATOM 703 CB PRO A 47 10.434 -3.120 7.202 1.00 0.98 C ATOM 704 CG PRO A 47 9.400 -3.399 8.244 1.00 1.03 C ATOM 705 CD PRO A 47 8.164 -3.903 7.546 1.00 0.85 C ATOM 0 HA PRO A 47 10.291 -3.489 5.042 1.00 0.81 H new ATOM 0 HB2 PRO A 47 11.429 -3.387 7.557 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.460 -2.060 6.950 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.765 -4.140 8.955 1.00 1.03 H new ATOM 0 HG3 PRO A 47 9.176 -2.495 8.811 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.791 -4.817 8.009 1.00 0.85 H new ATOM 0 HD3 PRO A 47 7.357 -3.171 7.590 1.00 0.85 H new ATOM 713 N ASP A 48 10.189 -6.310 6.576 1.00 1.32 N ATOM 714 CA ASP A 48 10.798 -7.633 6.632 1.00 1.46 C ATOM 715 C ASP A 48 10.536 -8.398 5.340 1.00 1.48 C ATOM 716 O ASP A 48 9.546 -9.119 5.224 1.00 2.18 O ATOM 717 CB ASP A 48 10.239 -8.415 7.817 1.00 2.16 C ATOM 718 CG ASP A 48 8.826 -7.949 8.139 1.00 2.56 C ATOM 719 OD1 ASP A 48 7.942 -8.080 7.265 1.00 3.01 O ATOM 720 OD2 ASP A 48 8.603 -7.453 9.263 1.00 3.03 O ATOM 0 H ASP A 48 9.280 -6.246 7.035 1.00 1.32 H new ATOM 0 HA ASP A 48 11.874 -7.513 6.755 1.00 1.46 H new ATOM 0 HB2 ASP A 48 10.234 -9.481 7.588 1.00 2.16 H new ATOM 0 HB3 ASP A 48 10.881 -8.278 8.687 1.00 2.16 H new ATOM 725 N SER A 49 11.432 -8.236 4.371 1.00 1.59 N ATOM 726 CA SER A 49 11.299 -8.914 3.086 1.00 2.11 C ATOM 727 C SER A 49 12.671 -9.192 2.483 1.00 1.90 C ATOM 728 O SER A 49 13.634 -8.473 2.749 1.00 2.33 O ATOM 729 CB SER A 49 10.477 -8.058 2.126 1.00 3.03 C ATOM 730 OG SER A 49 9.685 -8.880 1.281 1.00 3.81 O ATOM 0 H SER A 49 12.257 -7.642 4.451 1.00 1.59 H new ATOM 0 HA SER A 49 10.789 -9.864 3.248 1.00 2.11 H new ATOM 0 HB2 SER A 49 9.835 -7.382 2.691 1.00 3.03 H new ATOM 0 HB3 SER A 49 11.140 -7.438 1.523 1.00 3.03 H new ATOM 0 HG SER A 49 10.107 -8.944 0.399 1.00 3.81 H new ATOM 736 N GLU A 50 12.750 -10.239 1.667 1.00 1.92 N ATOM 737 CA GLU A 50 14.002 -10.615 1.021 1.00 2.27 C ATOM 738 C GLU A 50 13.752 -11.009 -0.428 1.00 2.09 C ATOM 739 O GLU A 50 12.649 -11.422 -0.785 1.00 2.74 O ATOM 740 CB GLU A 50 14.649 -11.776 1.771 1.00 3.06 C ATOM 741 CG GLU A 50 15.661 -11.285 2.802 1.00 3.83 C ATOM 742 CD GLU A 50 14.956 -10.908 4.097 1.00 4.43 C ATOM 743 OE1 GLU A 50 13.776 -11.282 4.264 1.00 4.75 O ATOM 744 OE2 GLU A 50 15.584 -10.237 4.943 1.00 4.97 O ATOM 0 H GLU A 50 11.960 -10.842 1.438 1.00 1.92 H new ATOM 0 HA GLU A 50 14.676 -9.758 1.041 1.00 2.27 H new ATOM 0 HB2 GLU A 50 13.877 -12.363 2.269 1.00 3.06 H new ATOM 0 HB3 GLU A 50 15.144 -12.438 1.061 1.00 3.06 H new ATOM 0 HG2 GLU A 50 16.400 -12.063 2.995 1.00 3.83 H new ATOM 0 HG3 GLU A 50 16.201 -10.423 2.410 1.00 3.83 H new ATOM 751 N LYS A 51 14.782 -10.879 -1.260 1.00 1.76 N ATOM 752 CA LYS A 51 14.677 -11.218 -2.675 1.00 1.77 C ATOM 753 C LYS A 51 13.681 -10.300 -3.372 1.00 1.55 C ATOM 754 O LYS A 51 14.068 -9.395 -4.111 1.00 2.20 O ATOM 755 CB LYS A 51 14.244 -12.674 -2.836 1.00 2.14 C ATOM 756 CG LYS A 51 15.443 -13.614 -2.884 1.00 2.60 C ATOM 757 CD LYS A 51 16.070 -13.794 -1.505 1.00 3.36 C ATOM 758 CE LYS A 51 15.228 -14.708 -0.619 1.00 4.12 C ATOM 759 NZ LYS A 51 14.779 -15.918 -1.362 1.00 4.81 N ATOM 0 H LYS A 51 15.701 -10.540 -0.977 1.00 1.76 H new ATOM 0 HA LYS A 51 15.656 -11.084 -3.135 1.00 1.77 H new ATOM 0 HB2 LYS A 51 13.594 -12.955 -2.007 1.00 2.14 H new ATOM 0 HB3 LYS A 51 13.660 -12.782 -3.750 1.00 2.14 H new ATOM 0 HG2 LYS A 51 15.131 -14.584 -3.272 1.00 2.60 H new ATOM 0 HG3 LYS A 51 16.188 -13.219 -3.575 1.00 2.60 H new ATOM 0 HD2 LYS A 51 17.071 -14.212 -1.612 1.00 3.36 H new ATOM 0 HD3 LYS A 51 16.180 -12.822 -1.025 1.00 3.36 H new ATOM 0 HE2 LYS A 51 15.809 -15.009 0.253 1.00 4.12 H new ATOM 0 HE3 LYS A 51 14.360 -14.162 -0.251 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 14.531 -16.668 -0.686 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 13.946 -15.682 -1.939 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 15.546 -16.250 -1.981 1.00 4.81 H new ATOM 773 N SER A 52 12.396 -10.537 -3.131 1.00 1.19 N ATOM 774 CA SER A 52 11.341 -9.731 -3.733 1.00 1.04 C ATOM 775 C SER A 52 10.566 -8.978 -2.658 1.00 0.92 C ATOM 776 O SER A 52 10.535 -9.392 -1.499 1.00 1.19 O ATOM 777 CB SER A 52 10.390 -10.623 -4.527 1.00 1.25 C ATOM 778 OG SER A 52 11.105 -11.389 -5.484 1.00 2.03 O ATOM 0 H SER A 52 12.060 -11.283 -2.522 1.00 1.19 H new ATOM 0 HA SER A 52 11.800 -9.007 -4.406 1.00 1.04 H new ATOM 0 HB2 SER A 52 9.854 -11.287 -3.849 1.00 1.25 H new ATOM 0 HB3 SER A 52 9.642 -10.010 -5.030 1.00 1.25 H new ATOM 0 HG SER A 52 10.480 -11.956 -5.982 1.00 2.03 H new ATOM 784 N ASN A 53 9.940 -7.873 -3.050 1.00 0.68 N ATOM 785 CA ASN A 53 9.164 -7.061 -2.120 1.00 0.61 C ATOM 786 C ASN A 53 7.684 -7.118 -2.474 1.00 0.59 C ATOM 787 O ASN A 53 7.318 -7.389 -3.618 1.00 0.99 O ATOM 788 CB ASN A 53 9.650 -5.616 -2.154 1.00 0.60 C ATOM 789 CG ASN A 53 9.500 -4.975 -0.780 1.00 0.89 C ATOM 790 OD1 ASN A 53 8.997 -5.599 0.155 1.00 1.68 O ATOM 791 ND2 ASN A 53 9.937 -3.727 -0.657 1.00 1.28 N ATOM 0 H ASN A 53 9.955 -7.519 -4.007 1.00 0.68 H new ATOM 0 HA ASN A 53 9.300 -7.459 -1.114 1.00 0.61 H new ATOM 0 HB2 ASN A 53 10.694 -5.584 -2.466 1.00 0.60 H new ATOM 0 HB3 ASN A 53 9.079 -5.051 -2.891 1.00 0.60 H new ATOM 0 HD21 ASN A 53 9.863 -3.247 0.240 1.00 1.28 H new ATOM 0 HD22 ASN A 53 10.347 -3.249 -1.459 1.00 1.28 H new ATOM 798 N LEU A 54 6.833 -6.863 -1.485 1.00 0.55 N ATOM 799 CA LEU A 54 5.390 -6.886 -1.691 1.00 0.51 C ATOM 800 C LEU A 54 4.674 -6.141 -0.573 1.00 0.44 C ATOM 801 O LEU A 54 4.890 -6.415 0.608 1.00 0.57 O ATOM 802 CB LEU A 54 4.896 -8.329 -1.751 1.00 0.65 C ATOM 803 CG LEU A 54 4.590 -8.758 -3.183 1.00 0.82 C ATOM 804 CD1 LEU A 54 5.075 -10.182 -3.434 1.00 1.49 C ATOM 805 CD2 LEU A 54 3.097 -8.637 -3.475 1.00 1.49 C ATOM 0 H LEU A 54 7.119 -6.638 -0.532 1.00 0.55 H new ATOM 0 HA LEU A 54 5.169 -6.389 -2.635 1.00 0.51 H new ATOM 0 HB2 LEU A 54 5.651 -8.991 -1.326 1.00 0.65 H new ATOM 0 HB3 LEU A 54 4.000 -8.433 -1.140 1.00 0.65 H new ATOM 0 HG LEU A 54 5.124 -8.092 -3.860 1.00 0.82 H new ATOM 0 HD11 LEU A 54 4.847 -10.468 -4.461 1.00 1.49 H new ATOM 0 HD12 LEU A 54 6.152 -10.233 -3.274 1.00 1.49 H new ATOM 0 HD13 LEU A 54 4.573 -10.864 -2.747 1.00 1.49 H new ATOM 0 HD21 LEU A 54 2.901 -8.948 -4.501 1.00 1.49 H new ATOM 0 HD22 LEU A 54 2.539 -9.275 -2.790 1.00 1.49 H new ATOM 0 HD23 LEU A 54 2.783 -7.602 -3.343 1.00 1.49 H new ATOM 817 N ILE A 55 3.817 -5.198 -0.952 1.00 0.31 N ATOM 818 CA ILE A 55 3.064 -4.411 0.016 1.00 0.26 C ATOM 819 C ILE A 55 1.642 -4.941 0.137 1.00 0.27 C ATOM 820 O ILE A 55 1.102 -5.517 -0.808 1.00 0.34 O ATOM 821 CB ILE A 55 3.039 -2.948 -0.409 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.445 -2.465 -0.757 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.427 -2.076 0.681 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.423 -1.068 -1.372 1.00 0.35 C ATOM 0 H ILE A 55 3.627 -4.961 -1.926 1.00 0.31 H new ATOM 0 HA ILE A 55 3.552 -4.492 0.987 1.00 0.26 H new ATOM 0 HB ILE A 55 2.416 -2.865 -1.300 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.061 -2.458 0.142 1.00 0.31 H new ATOM 0 HG13 ILE A 55 4.908 -3.163 -1.455 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.420 -1.036 0.354 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.405 -2.402 0.877 1.00 0.31 H new ATOM 0 HG23 ILE A 55 3.017 -2.166 1.593 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.441 -0.758 -1.607 1.00 0.35 H new ATOM 0 HD12 ILE A 55 3.828 -1.082 -2.285 1.00 0.35 H new ATOM 0 HD13 ILE A 55 3.984 -0.366 -0.664 1.00 0.35 H new ATOM 836 N ARG A 56 1.039 -4.747 1.305 1.00 0.29 N ATOM 837 CA ARG A 56 -0.321 -5.210 1.548 1.00 0.32 C ATOM 838 C ARG A 56 -1.290 -4.035 1.578 1.00 0.29 C ATOM 839 O ARG A 56 -1.166 -3.135 2.409 1.00 0.42 O ATOM 840 CB ARG A 56 -0.390 -5.969 2.870 1.00 0.42 C ATOM 841 CG ARG A 56 0.818 -6.883 3.063 1.00 0.55 C ATOM 842 CD ARG A 56 0.982 -7.852 1.904 1.00 0.84 C ATOM 843 NE ARG A 56 2.389 -8.182 1.708 1.00 1.44 N ATOM 844 CZ ARG A 56 2.930 -9.276 2.236 1.00 1.77 C ATOM 845 NH1 ARG A 56 2.617 -9.646 3.470 1.00 2.19 N ATOM 846 NH2 ARG A 56 3.784 -10.002 1.528 1.00 2.33 N ATOM 0 H ARG A 56 1.471 -4.272 2.098 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.606 -5.878 0.735 1.00 0.32 H new ATOM 0 HB2 ARG A 56 -0.443 -5.258 3.695 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.304 -6.563 2.901 1.00 0.42 H new ATOM 0 HG2 ARG A 56 1.719 -6.278 3.162 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.706 -7.442 3.992 1.00 0.55 H new ATOM 0 HD2 ARG A 56 0.413 -8.761 2.099 1.00 0.84 H new ATOM 0 HD3 ARG A 56 0.576 -7.411 0.994 1.00 0.84 H new ATOM 0 HE ARG A 56 2.973 -7.558 1.152 1.00 1.44 H new ATOM 0 HH11 ARG A 56 1.959 -9.091 4.018 1.00 2.19 H new ATOM 0 HH12 ARG A 56 3.034 -10.486 3.872 1.00 2.19 H new ATOM 0 HH21 ARG A 56 4.026 -9.721 0.578 1.00 2.33 H new ATOM 0 HH22 ARG A 56 4.199 -10.841 1.934 1.00 2.33 H new ATOM 860 N ILE A 57 -2.260 -4.054 0.671 1.00 0.24 N ATOM 861 CA ILE A 57 -3.259 -2.994 0.592 1.00 0.24 C ATOM 862 C ILE A 57 -4.657 -3.572 0.766 1.00 0.26 C ATOM 863 O ILE A 57 -4.983 -4.610 0.192 1.00 0.40 O ATOM 864 CB ILE A 57 -3.161 -2.277 -0.750 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.715 -1.886 -1.045 1.00 0.28 C ATOM 866 CG2 ILE A 57 -4.065 -1.049 -0.773 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.217 -0.811 -0.083 1.00 1.32 C ATOM 0 H ILE A 57 -2.376 -4.794 -0.022 1.00 0.24 H new ATOM 0 HA ILE A 57 -3.069 -2.279 1.392 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.497 -2.962 -1.529 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.077 -2.766 -0.970 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.637 -1.523 -2.070 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -3.980 -0.552 -1.740 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -5.099 -1.355 -0.612 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.764 -0.361 0.016 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.184 -0.558 -0.323 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.840 0.078 -0.177 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.271 -1.185 0.940 1.00 1.32 H new ATOM 879 N GLU A 58 -5.482 -2.898 1.561 1.00 0.23 N ATOM 880 CA GLU A 58 -6.843 -3.354 1.806 1.00 0.25 C ATOM 881 C GLU A 58 -7.713 -2.212 2.307 1.00 0.24 C ATOM 882 O GLU A 58 -7.289 -1.404 3.132 1.00 0.26 O ATOM 883 CB GLU A 58 -6.834 -4.487 2.827 1.00 0.32 C ATOM 884 CG GLU A 58 -8.239 -5.018 3.092 1.00 0.37 C ATOM 885 CD GLU A 58 -8.247 -5.891 4.340 1.00 0.82 C ATOM 886 OE1 GLU A 58 -7.249 -5.867 5.090 1.00 1.56 O ATOM 887 OE2 GLU A 58 -9.253 -6.597 4.567 1.00 1.47 O ATOM 0 H GLU A 58 -5.231 -2.036 2.045 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.260 -3.717 0.867 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.201 -5.297 2.466 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.397 -4.132 3.760 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.932 -4.186 3.217 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.585 -5.595 2.234 1.00 0.37 H new ATOM 894 N GLY A 59 -8.935 -2.159 1.797 1.00 0.25 N ATOM 895 CA GLY A 59 -9.888 -1.126 2.172 1.00 0.27 C ATOM 896 C GLY A 59 -11.300 -1.667 2.051 1.00 0.39 C ATOM 897 O GLY A 59 -11.544 -2.840 2.333 1.00 0.59 O ATOM 0 H GLY A 59 -9.292 -2.828 1.115 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.700 -0.798 3.194 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.766 -0.254 1.530 1.00 0.27 H new ATOM 901 N ASP A 60 -12.234 -0.823 1.633 1.00 0.53 N ATOM 902 CA ASP A 60 -13.608 -1.258 1.488 1.00 0.70 C ATOM 903 C ASP A 60 -14.203 -0.841 0.149 1.00 0.59 C ATOM 904 O ASP A 60 -14.671 -1.689 -0.610 1.00 1.04 O ATOM 905 CB ASP A 60 -14.449 -0.709 2.628 1.00 1.22 C ATOM 906 CG ASP A 60 -15.302 -1.811 3.241 1.00 1.93 C ATOM 907 OD1 ASP A 60 -15.790 -2.677 2.484 1.00 2.66 O ATOM 908 OD2 ASP A 60 -15.481 -1.808 4.477 1.00 2.31 O ATOM 0 H ASP A 60 -12.065 0.154 1.392 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.613 -2.347 1.521 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.801 -0.276 3.390 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.089 0.093 2.262 1.00 1.22 H new ATOM 913 N PRO A 61 -14.213 0.465 -0.170 1.00 0.72 N ATOM 914 CA PRO A 61 -14.773 0.951 -1.420 1.00 1.14 C ATOM 915 C PRO A 61 -13.717 1.060 -2.509 1.00 0.88 C ATOM 916 O PRO A 61 -12.612 0.535 -2.371 1.00 1.22 O ATOM 917 CB PRO A 61 -15.319 2.320 -1.027 1.00 1.82 C ATOM 918 CG PRO A 61 -14.518 2.758 0.166 1.00 1.82 C ATOM 919 CD PRO A 61 -13.700 1.580 0.636 1.00 1.17 C ATOM 0 HA PRO A 61 -15.528 0.287 -1.840 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -15.218 3.031 -1.847 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.380 2.262 -0.785 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -13.868 3.593 -0.097 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -15.178 3.106 0.961 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -12.635 1.739 0.470 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -13.833 1.399 1.703 1.00 1.17 H new ATOM 927 N GLN A 62 -14.058 1.753 -3.589 1.00 0.64 N ATOM 928 CA GLN A 62 -13.131 1.938 -4.698 1.00 0.47 C ATOM 929 C GLN A 62 -11.797 2.476 -4.191 1.00 0.41 C ATOM 930 O GLN A 62 -10.763 2.300 -4.830 1.00 0.47 O ATOM 931 CB GLN A 62 -13.728 2.902 -5.721 1.00 0.69 C ATOM 932 CG GLN A 62 -14.942 2.298 -6.422 1.00 0.85 C ATOM 933 CD GLN A 62 -16.227 2.739 -5.733 1.00 1.34 C ATOM 934 OE1 GLN A 62 -16.209 3.611 -4.863 1.00 2.14 O ATOM 935 NE2 GLN A 62 -17.345 2.138 -6.122 1.00 1.73 N ATOM 0 H GLN A 62 -14.968 2.195 -3.720 1.00 0.64 H new ATOM 0 HA GLN A 62 -12.959 0.973 -5.175 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -14.018 3.828 -5.223 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -12.972 3.162 -6.462 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -14.958 2.607 -7.467 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -14.872 1.210 -6.412 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -17.313 1.421 -6.847 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -18.236 2.394 -5.696 1.00 1.73 H new ATOM 944 N GLY A 63 -11.829 3.138 -3.037 1.00 0.37 N ATOM 945 CA GLY A 63 -10.629 3.709 -2.440 1.00 0.34 C ATOM 946 C GLY A 63 -9.482 2.704 -2.395 1.00 0.27 C ATOM 947 O GLY A 63 -8.324 3.075 -2.590 1.00 0.29 O ATOM 0 H GLY A 63 -12.680 3.292 -2.495 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.322 4.585 -3.011 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.853 4.049 -1.429 1.00 0.34 H new ATOM 951 N VAL A 64 -9.793 1.438 -2.125 1.00 0.24 N ATOM 952 CA VAL A 64 -8.754 0.416 -2.045 1.00 0.21 C ATOM 953 C VAL A 64 -8.179 0.097 -3.425 1.00 0.24 C ATOM 954 O VAL A 64 -6.964 -0.027 -3.579 1.00 0.28 O ATOM 955 CB VAL A 64 -9.274 -0.859 -1.357 1.00 0.24 C ATOM 956 CG1 VAL A 64 -10.091 -1.739 -2.298 1.00 0.30 C ATOM 957 CG2 VAL A 64 -8.099 -1.646 -0.792 1.00 0.26 C ATOM 0 H VAL A 64 -10.741 1.099 -1.960 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.947 0.819 -1.433 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.941 -0.551 -0.552 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.433 -2.624 -1.762 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.953 -1.180 -2.663 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.472 -2.042 -3.142 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.467 -2.549 -0.305 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.422 -1.920 -1.601 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.566 -1.033 -0.065 1.00 0.26 H new ATOM 967 N GLN A 65 -9.045 -0.034 -4.426 1.00 0.25 N ATOM 968 CA GLN A 65 -8.592 -0.338 -5.781 1.00 0.30 C ATOM 969 C GLN A 65 -7.930 0.885 -6.408 1.00 0.30 C ATOM 970 O GLN A 65 -7.053 0.757 -7.265 1.00 0.34 O ATOM 971 CB GLN A 65 -9.762 -0.818 -6.642 1.00 0.37 C ATOM 972 CG GLN A 65 -10.765 0.292 -6.924 1.00 0.42 C ATOM 973 CD GLN A 65 -11.165 0.284 -8.395 1.00 0.78 C ATOM 974 OE1 GLN A 65 -10.431 -0.220 -9.245 1.00 1.56 O ATOM 975 NE2 GLN A 65 -12.331 0.844 -8.694 1.00 0.82 N ATOM 0 H GLN A 65 -10.055 0.064 -4.327 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.855 -1.139 -5.728 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.380 -1.208 -7.586 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -10.267 -1.642 -6.138 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.648 0.160 -6.299 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.332 1.258 -6.663 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -12.906 1.249 -7.956 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -12.652 0.869 -9.662 1.00 0.82 H new ATOM 984 N GLN A 66 -8.342 2.068 -5.962 1.00 0.29 N ATOM 985 CA GLN A 66 -7.782 3.315 -6.467 1.00 0.31 C ATOM 986 C GLN A 66 -6.389 3.526 -5.894 1.00 0.29 C ATOM 987 O GLN A 66 -5.413 3.647 -6.635 1.00 0.36 O ATOM 988 CB GLN A 66 -8.683 4.487 -6.089 1.00 0.35 C ATOM 989 CG GLN A 66 -9.543 4.939 -7.267 1.00 0.79 C ATOM 990 CD GLN A 66 -10.946 5.297 -6.790 1.00 1.10 C ATOM 991 OE1 GLN A 66 -11.282 5.112 -5.621 1.00 2.03 O ATOM 992 NE2 GLN A 66 -11.766 5.810 -7.699 1.00 1.31 N ATOM 0 H GLN A 66 -9.063 2.188 -5.251 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.716 3.258 -7.554 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.326 4.198 -5.258 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.071 5.320 -5.744 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -9.085 5.801 -7.751 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -9.596 4.146 -8.013 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -11.444 5.946 -8.657 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -12.718 6.068 -7.439 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.300 3.556 -4.568 1.00 0.26 N ATOM 1002 CA ALA A 67 -5.023 3.736 -3.893 1.00 0.27 C ATOM 1003 C ALA A 67 -4.071 2.616 -4.290 1.00 0.26 C ATOM 1004 O ALA A 67 -2.859 2.815 -4.368 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.222 3.740 -2.380 1.00 0.29 C ATOM 0 H ALA A 67 -7.098 3.458 -3.941 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.596 4.693 -4.191 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.259 3.875 -1.887 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.890 4.556 -2.103 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.659 2.792 -2.068 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.635 1.442 -4.553 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.847 0.284 -4.957 1.00 0.28 C ATOM 1013 C LYS A 68 -3.095 0.595 -6.244 1.00 0.31 C ATOM 1014 O LYS A 68 -1.888 0.836 -6.227 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.760 -0.922 -5.160 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.999 -2.137 -5.683 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.800 -2.888 -6.744 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.907 -3.796 -7.583 1.00 0.57 C ATOM 1019 NZ LYS A 68 -4.641 -4.334 -8.763 1.00 0.88 N ATOM 0 H LYS A 68 -5.638 1.267 -4.493 1.00 0.25 H new ATOM 0 HA LYS A 68 -3.126 0.051 -4.173 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -5.241 -1.175 -4.215 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.553 -0.662 -5.861 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -3.046 -1.816 -6.105 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.771 -2.808 -4.855 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.575 -3.484 -6.262 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -5.305 -2.173 -7.393 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -3.032 -3.240 -7.919 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -3.545 -4.621 -6.970 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -4.009 -4.948 -9.315 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -5.462 -4.884 -8.440 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -4.965 -3.546 -9.359 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.817 0.593 -7.359 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.219 0.880 -8.659 1.00 0.43 C ATOM 1035 C ARG A 69 -2.414 2.174 -8.598 1.00 0.42 C ATOM 1036 O ARG A 69 -1.390 2.312 -9.269 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.306 0.998 -9.722 1.00 0.50 C ATOM 1038 CG ARG A 69 -3.894 0.321 -11.026 1.00 1.02 C ATOM 1039 CD ARG A 69 -5.099 -0.250 -11.767 1.00 1.36 C ATOM 1040 NE ARG A 69 -5.584 0.703 -12.759 1.00 1.81 N ATOM 1041 CZ ARG A 69 -6.876 0.811 -13.050 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -7.641 -0.271 -13.087 1.00 2.98 N ATOM 1043 NH2 ARG A 69 -7.404 2.000 -13.302 1.00 2.76 N ATOM 0 H ARG A 69 -4.817 0.396 -7.389 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.550 0.060 -8.922 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -5.227 0.547 -9.353 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -4.519 2.050 -9.910 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -3.381 1.041 -11.664 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -3.184 -0.479 -10.813 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -4.824 -1.185 -12.255 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -5.893 -0.482 -11.058 1.00 1.36 H new ATOM 0 HE ARG A 69 -4.914 1.302 -13.242 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -7.238 -1.187 -12.892 1.00 2.98 H new ATOM 0 HH12 ARG A 69 -8.633 -0.187 -13.310 1.00 2.98 H new ATOM 0 HH21 ARG A 69 -6.818 2.835 -13.273 1.00 2.76 H new ATOM 0 HH22 ARG A 69 -8.396 2.081 -13.525 1.00 2.76 H new ATOM 1057 N GLU A 70 -2.881 3.117 -7.787 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.206 4.400 -7.633 1.00 0.43 C ATOM 1059 C GLU A 70 -0.766 4.188 -7.185 1.00 0.44 C ATOM 1060 O GLU A 70 0.151 4.849 -7.675 1.00 0.56 O ATOM 1061 CB GLU A 70 -2.948 5.261 -6.614 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.224 6.579 -6.353 1.00 0.59 C ATOM 1063 CD GLU A 70 -2.554 7.588 -7.446 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -3.581 7.408 -8.133 1.00 1.38 O ATOM 1065 OE2 GLU A 70 -1.783 8.557 -7.614 1.00 1.50 O ATOM 0 H GLU A 70 -3.726 3.016 -7.225 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.202 4.912 -8.595 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -3.956 5.465 -6.976 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -3.050 4.711 -5.679 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.517 6.976 -5.381 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.148 6.410 -6.317 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.572 3.259 -6.254 1.00 0.40 N ATOM 1073 CA LEU A 71 0.758 2.953 -5.742 1.00 0.47 C ATOM 1074 C LEU A 71 1.599 2.292 -6.825 1.00 0.52 C ATOM 1075 O LEU A 71 2.758 2.648 -7.030 1.00 0.60 O ATOM 1076 CB LEU A 71 0.654 2.025 -4.535 1.00 0.51 C ATOM 1077 CG LEU A 71 0.394 2.801 -3.246 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.535 2.017 -2.324 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.707 3.128 -2.538 1.00 1.15 C ATOM 0 H LEU A 71 -1.321 2.705 -5.839 1.00 0.40 H new ATOM 0 HA LEU A 71 1.237 3.884 -5.438 1.00 0.47 H new ATOM 0 HB2 LEU A 71 -0.150 1.307 -4.696 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.576 1.453 -4.435 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.095 3.740 -3.506 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -0.708 2.587 -1.411 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.486 1.842 -2.828 1.00 1.08 H new ATOM 0 HD13 LEU A 71 -0.076 1.061 -2.073 1.00 1.08 H new ATOM 0 HD21 LEU A 71 1.499 3.681 -1.622 1.00 1.15 H new ATOM 0 HD22 LEU A 71 2.228 2.203 -2.293 1.00 1.15 H new ATOM 0 HD23 LEU A 71 2.333 3.734 -3.193 1.00 1.15 H new ATOM 1091 N LEU A 72 1.007 1.323 -7.514 1.00 0.52 N ATOM 1092 CA LEU A 72 1.700 0.604 -8.578 1.00 0.63 C ATOM 1093 C LEU A 72 2.145 1.563 -9.677 1.00 0.67 C ATOM 1094 O LEU A 72 3.167 1.343 -10.326 1.00 0.83 O ATOM 1095 CB LEU A 72 0.786 -0.467 -9.165 1.00 0.66 C ATOM 1096 CG LEU A 72 0.610 -1.641 -8.206 1.00 0.88 C ATOM 1097 CD1 LEU A 72 -0.869 -1.968 -8.021 1.00 1.99 C ATOM 1098 CD2 LEU A 72 1.376 -2.863 -8.704 1.00 1.04 C ATOM 0 H LEU A 72 0.047 1.016 -7.355 1.00 0.52 H new ATOM 0 HA LEU A 72 2.584 0.130 -8.153 1.00 0.63 H new ATOM 0 HB2 LEU A 72 -0.187 -0.032 -9.391 1.00 0.66 H new ATOM 0 HB3 LEU A 72 1.202 -0.825 -10.107 1.00 0.66 H new ATOM 0 HG LEU A 72 1.019 -1.355 -7.237 1.00 0.88 H new ATOM 0 HD11 LEU A 72 -0.973 -2.808 -7.334 1.00 1.99 H new ATOM 0 HD12 LEU A 72 -1.385 -1.099 -7.613 1.00 1.99 H new ATOM 0 HD13 LEU A 72 -1.307 -2.231 -8.984 1.00 1.99 H new ATOM 0 HD21 LEU A 72 1.237 -3.689 -8.006 1.00 1.04 H new ATOM 0 HD22 LEU A 72 1.002 -3.151 -9.686 1.00 1.04 H new ATOM 0 HD23 LEU A 72 2.437 -2.623 -8.776 1.00 1.04 H new ATOM 1110 N GLU A 73 1.370 2.623 -9.883 1.00 0.64 N ATOM 1111 CA GLU A 73 1.685 3.612 -10.909 1.00 0.74 C ATOM 1112 C GLU A 73 2.554 4.725 -10.336 1.00 0.71 C ATOM 1113 O GLU A 73 3.772 4.730 -10.516 1.00 0.88 O ATOM 1114 CB GLU A 73 0.398 4.201 -11.478 1.00 0.82 C ATOM 1115 CG GLU A 73 -0.044 3.468 -12.741 1.00 1.00 C ATOM 1116 CD GLU A 73 -0.558 4.457 -13.778 1.00 1.41 C ATOM 1117 OE1 GLU A 73 -1.029 5.544 -13.382 1.00 2.05 O ATOM 1118 OE2 GLU A 73 -0.489 4.144 -14.985 1.00 2.01 O ATOM 0 H GLU A 73 0.520 2.819 -9.354 1.00 0.64 H new ATOM 0 HA GLU A 73 2.238 3.116 -11.707 1.00 0.74 H new ATOM 0 HB2 GLU A 73 -0.391 4.144 -10.728 1.00 0.82 H new ATOM 0 HB3 GLU A 73 0.549 5.257 -11.703 1.00 0.82 H new ATOM 0 HG2 GLU A 73 0.792 2.902 -13.152 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -0.826 2.749 -12.497 1.00 1.00 H new ATOM 1125 N LEU A 74 1.919 5.671 -9.652 1.00 0.64 N ATOM 1126 CA LEU A 74 2.627 6.798 -9.055 1.00 0.71 C ATOM 1127 C LEU A 74 3.571 6.326 -7.957 1.00 0.82 C ATOM 1128 O LEU A 74 4.700 6.803 -7.849 1.00 1.13 O ATOM 1129 CB LEU A 74 1.625 7.795 -8.484 1.00 0.85 C ATOM 1130 CG LEU A 74 0.669 8.306 -9.558 1.00 0.99 C ATOM 1131 CD1 LEU A 74 -0.316 9.312 -8.970 1.00 1.19 C ATOM 1132 CD2 LEU A 74 1.442 8.924 -10.719 1.00 1.32 C ATOM 0 H LEU A 74 0.911 5.679 -9.497 1.00 0.64 H new ATOM 0 HA LEU A 74 3.219 7.283 -9.832 1.00 0.71 H new ATOM 0 HB2 LEU A 74 1.055 7.322 -7.684 1.00 0.85 H new ATOM 0 HB3 LEU A 74 2.159 8.636 -8.041 1.00 0.85 H new ATOM 0 HG LEU A 74 0.102 7.457 -9.940 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -0.988 9.663 -9.753 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -0.897 8.834 -8.181 1.00 1.19 H new ATOM 0 HD13 LEU A 74 0.232 10.158 -8.556 1.00 1.19 H new ATOM 0 HD21 LEU A 74 0.741 9.282 -11.473 1.00 1.32 H new ATOM 0 HD22 LEU A 74 2.040 9.759 -10.354 1.00 1.32 H new ATOM 0 HD23 LEU A 74 2.098 8.173 -11.160 1.00 1.32 H new ATOM 1144 N ALA A 75 3.102 5.389 -7.140 1.00 0.78 N ATOM 1145 CA ALA A 75 3.906 4.855 -6.045 1.00 0.99 C ATOM 1146 C ALA A 75 4.493 5.984 -5.208 1.00 1.70 C ATOM 1147 O ALA A 75 5.670 6.318 -5.339 1.00 2.16 O ATOM 1148 CB ALA A 75 5.030 3.986 -6.601 1.00 1.14 C ATOM 0 H ALA A 75 2.169 4.983 -7.215 1.00 0.78 H new ATOM 0 HA ALA A 75 3.262 4.249 -5.408 1.00 0.99 H new ATOM 0 HB1 ALA A 75 5.626 3.591 -5.778 1.00 1.14 H new ATOM 0 HB2 ALA A 75 4.604 3.160 -7.170 1.00 1.14 H new ATOM 0 HB3 ALA A 75 5.665 4.586 -7.253 1.00 1.14 H new