USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=7 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 Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.09) USER MOD Single : A 18 HIS : no HD1:sc= -0.0435 X(o=-0.043,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HD1:sc= -6.65! C(o=-6.6!,f=-8.6!) USER MOD Single : A 23 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 63:sc= 1.2 USER MOD Single : A 31 ASN : amide:sc= -0.646 K(o=-0.65,f=-1.5!) USER MOD Single : A 33 ASN : amide:sc= -2.12 K(o=-2.1,f=-7.8!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.411 K(o=-0.41,f=-1.1) USER MOD Single : A 39 TYR OH : rot 164:sc= 0.0372 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 48:sc= 0.967 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -1.52! K(o=-1.5!,f=-0.72) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 65 GLN : amide:sc= -1.29! C(o=-1.3!,f=-1.3!) USER MOD Single : A 66 GLN : amide:sc= -0.296 K(o=-0.3,f=-2.1!) USER MOD Single : A 68 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00131) USER MOD ----------------------------------------------------------------- ATOM 58 N MET A 9 -15.137 -6.192 2.682 1.00 1.18 N ATOM 59 CA MET A 9 -13.687 -6.129 2.826 1.00 0.82 C ATOM 60 C MET A 9 -13.002 -6.632 1.563 1.00 0.72 C ATOM 61 O MET A 9 -13.264 -7.743 1.103 1.00 0.97 O ATOM 62 CB MET A 9 -13.244 -6.968 4.021 1.00 1.08 C ATOM 63 CG MET A 9 -12.108 -6.297 4.789 1.00 1.61 C ATOM 64 SD MET A 9 -10.577 -7.242 4.723 1.00 2.27 S ATOM 65 CE MET A 9 -10.649 -8.116 6.293 1.00 2.82 C ATOM 0 HA MET A 9 -13.401 -5.090 2.989 1.00 0.82 H new ATOM 0 HB2 MET A 9 -14.091 -7.127 4.688 1.00 1.08 H new ATOM 0 HB3 MET A 9 -12.921 -7.950 3.677 1.00 1.08 H new ATOM 0 HG2 MET A 9 -11.935 -5.302 4.379 1.00 1.61 H new ATOM 0 HG3 MET A 9 -12.405 -6.166 5.829 1.00 1.61 H new ATOM 0 HE1 MET A 9 -9.766 -8.746 6.400 1.00 2.82 H new ATOM 0 HE2 MET A 9 -10.681 -7.395 7.110 1.00 2.82 H new ATOM 0 HE3 MET A 9 -11.544 -8.738 6.323 1.00 2.82 H new ATOM 75 N ASP A 10 -12.122 -5.807 1.005 1.00 0.49 N ATOM 76 CA ASP A 10 -11.396 -6.169 -0.207 1.00 0.42 C ATOM 77 C ASP A 10 -9.917 -5.840 -0.059 1.00 0.38 C ATOM 78 O ASP A 10 -9.555 -4.707 0.257 1.00 0.54 O ATOM 79 CB ASP A 10 -11.975 -5.422 -1.405 1.00 0.44 C ATOM 80 CG ASP A 10 -12.998 -6.291 -2.126 1.00 0.86 C ATOM 81 OD1 ASP A 10 -12.765 -7.513 -2.240 1.00 1.55 O ATOM 82 OD2 ASP A 10 -14.030 -5.749 -2.574 1.00 1.53 O ATOM 0 H ASP A 10 -11.894 -4.883 1.373 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.502 -7.242 -0.368 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -12.444 -4.496 -1.073 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -11.175 -5.145 -2.091 1.00 0.44 H new ATOM 87 N TYR A 11 -9.064 -6.834 -0.285 1.00 0.40 N ATOM 88 CA TYR A 11 -7.624 -6.639 -0.171 1.00 0.37 C ATOM 89 C TYR A 11 -6.922 -6.973 -1.479 1.00 0.34 C ATOM 90 O TYR A 11 -7.511 -7.565 -2.385 1.00 0.38 O ATOM 91 CB TYR A 11 -7.062 -7.504 0.952 1.00 0.42 C ATOM 92 CG TYR A 11 -7.065 -8.979 0.627 1.00 0.48 C ATOM 93 CD1 TYR A 11 -8.214 -9.728 0.808 1.00 0.54 C ATOM 94 CD2 TYR A 11 -5.918 -9.588 0.149 1.00 0.57 C ATOM 95 CE1 TYR A 11 -8.217 -11.079 0.512 1.00 0.63 C ATOM 96 CE2 TYR A 11 -5.921 -10.941 -0.147 1.00 0.67 C ATOM 97 CZ TYR A 11 -7.068 -11.678 0.026 1.00 0.67 C ATOM 98 OH TYR A 11 -7.075 -13.024 -0.258 1.00 0.78 O ATOM 0 H TYR A 11 -9.344 -7.779 -0.547 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.444 -5.589 0.059 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -6.041 -7.189 1.168 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.646 -7.337 1.857 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -9.111 -9.256 1.181 1.00 0.54 H new ATOM 0 HD2 TYR A 11 -5.019 -9.007 0.006 1.00 0.57 H new ATOM 0 HE1 TYR A 11 -9.113 -11.664 0.660 1.00 0.63 H new ATOM 0 HE2 TYR A 11 -5.023 -11.416 -0.513 1.00 0.67 H new ATOM 0 HH TYR A 11 -6.193 -13.293 -0.591 1.00 0.78 H new ATOM 108 N VAL A 12 -5.655 -6.583 -1.569 1.00 0.34 N ATOM 109 CA VAL A 12 -4.848 -6.828 -2.756 1.00 0.34 C ATOM 110 C VAL A 12 -3.372 -6.822 -2.395 1.00 0.35 C ATOM 111 O VAL A 12 -2.994 -6.440 -1.287 1.00 0.51 O ATOM 112 CB VAL A 12 -5.115 -5.774 -3.835 1.00 0.38 C ATOM 113 CG1 VAL A 12 -6.071 -6.322 -4.889 1.00 0.81 C ATOM 114 CG2 VAL A 12 -5.649 -4.466 -3.247 1.00 0.52 C ATOM 0 H VAL A 12 -5.162 -6.091 -0.824 1.00 0.34 H new ATOM 0 HA VAL A 12 -5.124 -7.805 -3.152 1.00 0.34 H new ATOM 0 HB VAL A 12 -4.160 -5.544 -4.308 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -6.250 -5.561 -5.648 1.00 0.81 H new ATOM 0 HG12 VAL A 12 -5.632 -7.204 -5.356 1.00 0.81 H new ATOM 0 HG13 VAL A 12 -7.015 -6.594 -4.417 1.00 0.81 H new ATOM 0 HG21 VAL A 12 -5.823 -3.750 -4.050 1.00 0.52 H new ATOM 0 HG22 VAL A 12 -6.585 -4.658 -2.723 1.00 0.52 H new ATOM 0 HG23 VAL A 12 -4.920 -4.057 -2.548 1.00 0.52 H new ATOM 124 N GLU A 13 -2.543 -7.249 -3.337 1.00 0.49 N ATOM 125 CA GLU A 13 -1.100 -7.296 -3.122 1.00 0.54 C ATOM 126 C GLU A 13 -0.372 -6.734 -4.334 1.00 0.50 C ATOM 127 O GLU A 13 -0.599 -7.171 -5.463 1.00 0.60 O ATOM 128 CB GLU A 13 -0.627 -8.734 -2.864 1.00 0.67 C ATOM 129 CG GLU A 13 -1.749 -9.649 -2.368 1.00 1.05 C ATOM 130 CD GLU A 13 -1.313 -11.106 -2.444 1.00 1.43 C ATOM 131 OE1 GLU A 13 -0.333 -11.472 -1.761 1.00 2.05 O ATOM 132 OE2 GLU A 13 -1.952 -11.881 -3.187 1.00 1.97 O ATOM 0 H GLU A 13 -2.843 -7.568 -4.258 1.00 0.49 H new ATOM 0 HA GLU A 13 -0.871 -6.691 -2.245 1.00 0.54 H new ATOM 0 HB2 GLU A 13 -0.210 -9.145 -3.783 1.00 0.67 H new ATOM 0 HB3 GLU A 13 0.176 -8.720 -2.128 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -2.009 -9.393 -1.341 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -2.644 -9.498 -2.971 1.00 1.05 H new ATOM 139 N ILE A 14 0.504 -5.766 -4.098 1.00 0.48 N ATOM 140 CA ILE A 14 1.266 -5.148 -5.177 1.00 0.49 C ATOM 141 C ILE A 14 2.734 -5.542 -5.083 1.00 0.48 C ATOM 142 O ILE A 14 3.369 -5.372 -4.041 1.00 0.43 O ATOM 143 CB ILE A 14 1.124 -3.630 -5.122 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.369 -3.116 -3.707 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.251 -3.194 -5.621 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.517 -1.598 -3.682 1.00 0.63 C ATOM 0 H ILE A 14 0.705 -5.392 -3.171 1.00 0.48 H new ATOM 0 HA ILE A 14 0.870 -5.503 -6.129 1.00 0.49 H new ATOM 0 HB ILE A 14 1.877 -3.196 -5.780 1.00 0.52 H new ATOM 0 HG12 ILE A 14 0.542 -3.413 -3.063 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.270 -3.577 -3.302 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.328 -2.108 -5.572 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.384 -3.521 -6.652 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -1.024 -3.641 -4.996 1.00 0.64 H new ATOM 0 HD11 ILE A 14 1.690 -1.266 -2.658 1.00 0.63 H new ATOM 0 HD12 ILE A 14 2.361 -1.304 -4.307 1.00 0.63 H new ATOM 0 HD13 ILE A 14 0.606 -1.137 -4.063 1.00 0.63 H new ATOM 158 N ASN A 15 3.265 -6.079 -6.177 1.00 0.59 N ATOM 159 CA ASN A 15 4.657 -6.511 -6.225 1.00 0.62 C ATOM 160 C ASN A 15 5.594 -5.314 -6.303 1.00 0.60 C ATOM 161 O ASN A 15 5.347 -4.365 -7.048 1.00 0.78 O ATOM 162 CB ASN A 15 4.883 -7.421 -7.431 1.00 0.79 C ATOM 163 CG ASN A 15 3.744 -8.424 -7.563 1.00 1.31 C ATOM 164 OD1 ASN A 15 3.107 -8.522 -8.612 1.00 2.20 O ATOM 165 ND2 ASN A 15 3.488 -9.174 -6.497 1.00 1.54 N ATOM 0 H ASN A 15 2.750 -6.226 -7.045 1.00 0.59 H new ATOM 0 HA ASN A 15 4.873 -7.063 -5.310 1.00 0.62 H new ATOM 0 HB2 ASN A 15 4.954 -6.821 -8.338 1.00 0.79 H new ATOM 0 HB3 ASN A 15 5.830 -7.949 -7.323 1.00 0.79 H new ATOM 0 HD21 ASN A 15 2.738 -9.865 -6.528 1.00 1.54 H new ATOM 0 HD22 ASN A 15 4.041 -9.059 -5.648 1.00 1.54 H new ATOM 172 N ILE A 16 6.675 -5.369 -5.534 1.00 0.49 N ATOM 173 CA ILE A 16 7.661 -4.296 -5.513 1.00 0.49 C ATOM 174 C ILE A 16 9.072 -4.876 -5.541 1.00 0.56 C ATOM 175 O ILE A 16 9.310 -5.977 -5.045 1.00 0.66 O ATOM 176 CB ILE A 16 7.470 -3.435 -4.266 1.00 0.48 C ATOM 177 CG1 ILE A 16 6.086 -2.793 -4.264 1.00 0.63 C ATOM 178 CG2 ILE A 16 8.553 -2.363 -4.167 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.898 -1.858 -5.455 1.00 0.84 C ATOM 0 H ILE A 16 6.891 -6.150 -4.914 1.00 0.49 H new ATOM 0 HA ILE A 16 7.522 -3.673 -6.397 1.00 0.49 H new ATOM 0 HB ILE A 16 7.555 -4.084 -3.395 1.00 0.48 H new ATOM 0 HG12 ILE A 16 5.323 -3.571 -4.288 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.944 -2.236 -3.338 1.00 0.63 H new ATOM 0 HG21 ILE A 16 8.392 -1.765 -3.270 1.00 0.58 H new ATOM 0 HG22 ILE A 16 9.532 -2.839 -4.115 1.00 0.58 H new ATOM 0 HG23 ILE A 16 8.509 -1.719 -5.045 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.901 -1.420 -5.420 1.00 0.84 H new ATOM 0 HD12 ILE A 16 6.645 -1.065 -5.416 1.00 0.84 H new ATOM 0 HD13 ILE A 16 6.014 -2.421 -6.381 1.00 0.84 H new ATOM 191 N ASP A 17 10.002 -4.131 -6.128 1.00 0.63 N ATOM 192 CA ASP A 17 11.389 -4.572 -6.225 1.00 0.75 C ATOM 193 C ASP A 17 12.301 -3.666 -5.411 1.00 1.00 C ATOM 194 O ASP A 17 12.882 -4.089 -4.412 1.00 1.75 O ATOM 195 CB ASP A 17 11.831 -4.573 -7.685 1.00 1.27 C ATOM 196 CG ASP A 17 12.457 -5.913 -8.049 1.00 1.63 C ATOM 197 OD1 ASP A 17 11.715 -6.915 -8.127 1.00 2.16 O ATOM 198 OD2 ASP A 17 13.687 -5.957 -8.257 1.00 2.21 O ATOM 0 H ASP A 17 9.820 -3.218 -6.544 1.00 0.63 H new ATOM 0 HA ASP A 17 11.459 -5.583 -5.824 1.00 0.75 H new ATOM 0 HB2 ASP A 17 10.975 -4.377 -8.331 1.00 1.27 H new ATOM 0 HB3 ASP A 17 12.549 -3.771 -7.855 1.00 1.27 H new ATOM 203 N HIS A 18 12.423 -2.415 -5.844 1.00 1.27 N ATOM 204 CA HIS A 18 13.268 -1.445 -5.157 1.00 1.85 C ATOM 205 C HIS A 18 12.825 -1.276 -3.709 1.00 1.32 C ATOM 206 O HIS A 18 11.947 -1.995 -3.231 1.00 2.00 O ATOM 207 CB HIS A 18 13.210 -0.102 -5.879 1.00 2.83 C ATOM 208 CG HIS A 18 13.688 -0.183 -7.296 1.00 3.48 C ATOM 209 ND1 HIS A 18 13.506 0.821 -8.211 1.00 4.01 N ATOM 210 CD2 HIS A 18 14.350 -1.157 -7.973 1.00 4.16 C ATOM 211 CE1 HIS A 18 14.018 0.496 -9.374 1.00 4.73 C ATOM 212 NE2 HIS A 18 14.545 -0.712 -9.267 1.00 4.84 N ATOM 0 H HIS A 18 11.947 -2.049 -6.668 1.00 1.27 H new ATOM 0 HA HIS A 18 14.294 -1.813 -5.164 1.00 1.85 H new ATOM 0 HB2 HIS A 18 12.185 0.268 -5.867 1.00 2.83 H new ATOM 0 HB3 HIS A 18 13.817 0.623 -5.337 1.00 2.83 H new ATOM 0 HD2 HIS A 18 14.667 -2.108 -7.572 1.00 4.16 H new ATOM 0 HE1 HIS A 18 14.010 1.108 -10.264 1.00 4.73 H new ATOM 0 HE2 HIS A 18 15.015 -1.227 -10.012 1.00 4.84 H new ATOM 220 N LYS A 19 13.441 -0.325 -3.015 1.00 0.82 N ATOM 221 CA LYS A 19 13.116 -0.061 -1.619 1.00 0.84 C ATOM 222 C LYS A 19 11.984 0.953 -1.510 1.00 0.77 C ATOM 223 O LYS A 19 12.103 1.958 -0.809 1.00 1.13 O ATOM 224 CB LYS A 19 14.349 0.459 -0.887 1.00 1.47 C ATOM 225 CG LYS A 19 14.837 1.781 -1.475 1.00 1.97 C ATOM 226 CD LYS A 19 16.348 1.938 -1.326 1.00 2.72 C ATOM 227 CE LYS A 19 17.103 1.036 -2.298 1.00 3.37 C ATOM 228 NZ LYS A 19 17.990 0.083 -1.575 1.00 4.03 N ATOM 0 H LYS A 19 14.170 0.277 -3.398 1.00 0.82 H new ATOM 0 HA LYS A 19 12.790 -0.994 -1.160 1.00 0.84 H new ATOM 0 HB2 LYS A 19 14.116 0.594 0.169 1.00 1.47 H new ATOM 0 HB3 LYS A 19 15.146 -0.282 -0.945 1.00 1.47 H new ATOM 0 HG2 LYS A 19 14.567 1.832 -2.530 1.00 1.97 H new ATOM 0 HG3 LYS A 19 14.334 2.609 -0.977 1.00 1.97 H new ATOM 0 HD2 LYS A 19 16.626 2.977 -1.502 1.00 2.72 H new ATOM 0 HD3 LYS A 19 16.641 1.698 -0.304 1.00 2.72 H new ATOM 0 HE2 LYS A 19 16.392 0.481 -2.910 1.00 3.37 H new ATOM 0 HE3 LYS A 19 17.698 1.647 -2.976 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 18.489 -0.516 -2.263 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 18.683 0.614 -1.011 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 17.417 -0.515 -0.946 1.00 4.03 H new ATOM 242 N PHE A 20 10.885 0.682 -2.205 1.00 0.63 N ATOM 243 CA PHE A 20 9.726 1.568 -2.186 1.00 0.61 C ATOM 244 C PHE A 20 9.181 1.698 -0.769 1.00 0.62 C ATOM 245 O PHE A 20 8.696 2.758 -0.373 1.00 0.95 O ATOM 246 CB PHE A 20 8.643 1.025 -3.114 1.00 0.62 C ATOM 247 CG PHE A 20 8.400 1.902 -4.316 1.00 0.75 C ATOM 248 CD1 PHE A 20 7.847 3.162 -4.155 1.00 0.96 C ATOM 249 CD2 PHE A 20 8.728 1.453 -5.584 1.00 1.08 C ATOM 250 CE1 PHE A 20 7.625 3.968 -5.256 1.00 1.17 C ATOM 251 CE2 PHE A 20 8.506 2.260 -6.686 1.00 1.26 C ATOM 252 CZ PHE A 20 7.952 3.509 -6.529 1.00 1.19 C ATOM 0 H PHE A 20 10.772 -0.146 -2.790 1.00 0.63 H new ATOM 0 HA PHE A 20 10.033 2.555 -2.533 1.00 0.61 H new ATOM 0 HB2 PHE A 20 8.928 0.028 -3.451 1.00 0.62 H new ATOM 0 HB3 PHE A 20 7.713 0.919 -2.555 1.00 0.62 H new ATOM 0 HD1 PHE A 20 7.589 3.515 -3.168 1.00 0.96 H new ATOM 0 HD2 PHE A 20 9.158 0.471 -5.713 1.00 1.08 H new ATOM 0 HE1 PHE A 20 7.199 4.952 -5.129 1.00 1.17 H new ATOM 0 HE2 PHE A 20 8.769 1.908 -7.673 1.00 1.26 H new ATOM 0 HZ PHE A 20 7.771 4.133 -7.392 1.00 1.19 H new ATOM 262 N HIS A 21 9.261 0.610 -0.011 1.00 0.53 N ATOM 263 CA HIS A 21 8.777 0.591 1.363 1.00 0.57 C ATOM 264 C HIS A 21 9.347 1.761 2.156 1.00 0.69 C ATOM 265 O HIS A 21 8.614 2.656 2.576 1.00 1.03 O ATOM 266 CB HIS A 21 9.166 -0.725 2.027 1.00 0.54 C ATOM 267 CG HIS A 21 8.367 -1.890 1.532 1.00 0.47 C ATOM 268 ND1 HIS A 21 7.895 -2.881 2.352 1.00 0.48 N ATOM 269 CD2 HIS A 21 7.948 -2.235 0.287 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.229 -3.781 1.666 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.240 -3.418 0.394 1.00 0.42 N ATOM 0 H HIS A 21 9.659 -0.274 -0.328 1.00 0.53 H new ATOM 0 HA HIS A 21 7.691 0.684 1.349 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.224 -0.916 1.849 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.035 -0.634 3.105 1.00 0.54 H new ATOM 0 HD2 HIS A 21 8.134 -1.684 -0.623 1.00 0.44 H new ATOM 0 HE1 HIS A 21 6.755 -4.663 2.070 1.00 0.45 H new ATOM 0 HE2 HIS A 21 6.802 -3.924 -0.376 1.00 0.42 H new ATOM 279 N ARG A 22 10.659 1.743 2.365 1.00 0.68 N ATOM 280 CA ARG A 22 11.334 2.798 3.115 1.00 0.80 C ATOM 281 C ARG A 22 11.273 4.129 2.371 1.00 0.81 C ATOM 282 O ARG A 22 11.431 5.191 2.973 1.00 0.92 O ATOM 283 CB ARG A 22 12.791 2.410 3.355 1.00 0.93 C ATOM 284 CG ARG A 22 13.300 2.932 4.694 1.00 1.64 C ATOM 285 CD ARG A 22 14.622 2.276 5.085 1.00 2.14 C ATOM 286 NE ARG A 22 14.442 1.428 6.258 1.00 2.73 N ATOM 287 CZ ARG A 22 14.758 0.137 6.240 1.00 3.33 C ATOM 288 NH1 ARG A 22 16.030 -0.237 6.255 1.00 3.72 N ATOM 289 NH2 ARG A 22 13.802 -0.781 6.207 1.00 3.95 N ATOM 0 H ARG A 22 11.278 1.007 2.025 1.00 0.68 H new ATOM 0 HA ARG A 22 10.823 2.916 4.070 1.00 0.80 H new ATOM 0 HB2 ARG A 22 12.888 1.325 3.327 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.410 2.806 2.551 1.00 0.93 H new ATOM 0 HG2 ARG A 22 13.432 4.013 4.638 1.00 1.64 H new ATOM 0 HG3 ARG A 22 12.555 2.741 5.467 1.00 1.64 H new ATOM 0 HD2 ARG A 22 15.000 1.682 4.253 1.00 2.14 H new ATOM 0 HD3 ARG A 22 15.368 3.043 5.294 1.00 2.14 H new ATOM 0 HE ARG A 22 14.064 1.836 7.113 1.00 2.73 H new ATOM 0 HH11 ARG A 22 16.768 0.466 6.280 1.00 3.72 H new ATOM 0 HH12 ARG A 22 16.270 -1.228 6.241 1.00 3.72 H new ATOM 0 HH21 ARG A 22 12.822 -0.497 6.195 1.00 3.95 H new ATOM 0 HH22 ARG A 22 14.046 -1.771 6.193 1.00 3.95 H new ATOM 303 N HIS A 23 11.052 4.069 1.062 1.00 0.90 N ATOM 304 CA HIS A 23 10.981 5.274 0.243 1.00 0.98 C ATOM 305 C HIS A 23 9.615 5.935 0.364 1.00 0.96 C ATOM 306 O HIS A 23 9.482 7.146 0.180 1.00 1.12 O ATOM 307 CB HIS A 23 11.257 4.925 -1.216 1.00 1.02 C ATOM 308 CG HIS A 23 12.688 5.126 -1.605 1.00 1.30 C ATOM 309 ND1 HIS A 23 13.734 4.943 -0.738 1.00 1.83 N ATOM 310 CD2 HIS A 23 13.265 5.497 -2.777 1.00 1.56 C ATOM 311 CE1 HIS A 23 14.882 5.182 -1.329 1.00 2.07 C ATOM 312 NE2 HIS A 23 14.634 5.526 -2.582 1.00 1.86 N ATOM 0 H HIS A 23 10.919 3.199 0.546 1.00 0.90 H new ATOM 0 HA HIS A 23 11.735 5.975 0.600 1.00 0.98 H new ATOM 0 HB2 HIS A 23 10.981 3.886 -1.394 1.00 1.02 H new ATOM 0 HB3 HIS A 23 10.623 5.538 -1.857 1.00 1.02 H new ATOM 0 HD2 HIS A 23 12.748 5.728 -3.696 1.00 1.56 H new ATOM 0 HE1 HIS A 23 15.858 5.110 -0.872 1.00 2.07 H new ATOM 0 HE2 HIS A 23 15.332 5.771 -3.284 1.00 1.86 H new ATOM 320 N LEU A 24 8.597 5.136 0.664 1.00 0.86 N ATOM 321 CA LEU A 24 7.238 5.648 0.798 1.00 0.87 C ATOM 322 C LEU A 24 6.969 6.116 2.222 1.00 0.97 C ATOM 323 O LEU A 24 6.601 7.269 2.447 1.00 1.16 O ATOM 324 CB LEU A 24 6.238 4.567 0.406 1.00 0.73 C ATOM 325 CG LEU A 24 6.182 4.384 -1.107 1.00 0.76 C ATOM 326 CD1 LEU A 24 5.971 2.917 -1.466 1.00 0.72 C ATOM 327 CD2 LEU A 24 5.087 5.254 -1.714 1.00 1.25 C ATOM 0 H LEU A 24 8.687 4.132 0.819 1.00 0.86 H new ATOM 0 HA LEU A 24 7.126 6.504 0.132 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.515 3.624 0.878 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.249 4.832 0.779 1.00 0.73 H new ATOM 0 HG LEU A 24 7.138 4.700 -1.525 1.00 0.76 H new ATOM 0 HD11 LEU A 24 5.934 2.809 -2.550 1.00 0.72 H new ATOM 0 HD12 LEU A 24 6.795 2.323 -1.070 1.00 0.72 H new ATOM 0 HD13 LEU A 24 5.033 2.568 -1.035 1.00 0.72 H new ATOM 0 HD21 LEU A 24 5.064 5.109 -2.794 1.00 1.25 H new ATOM 0 HD22 LEU A 24 4.123 4.974 -1.289 1.00 1.25 H new ATOM 0 HD23 LEU A 24 5.291 6.302 -1.493 1.00 1.25 H new ATOM 339 N ILE A 25 7.149 5.217 3.185 1.00 0.92 N ATOM 340 CA ILE A 25 6.918 5.545 4.586 1.00 1.10 C ATOM 341 C ILE A 25 7.692 6.797 4.980 1.00 1.41 C ATOM 342 O ILE A 25 7.300 7.516 5.900 1.00 1.91 O ATOM 343 CB ILE A 25 7.320 4.370 5.476 1.00 0.94 C ATOM 344 CG1 ILE A 25 8.827 4.125 5.427 1.00 0.90 C ATOM 345 CG2 ILE A 25 6.567 3.108 5.078 1.00 1.06 C ATOM 346 CD1 ILE A 25 9.327 3.505 6.730 1.00 0.91 C ATOM 0 H ILE A 25 7.454 4.258 3.020 1.00 0.92 H new ATOM 0 HA ILE A 25 5.855 5.742 4.724 1.00 1.10 H new ATOM 0 HB ILE A 25 7.052 4.628 6.501 1.00 0.94 H new ATOM 0 HG12 ILE A 25 9.064 3.465 4.592 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.346 5.066 5.246 1.00 0.90 H new ATOM 0 HG21 ILE A 25 6.869 2.285 5.725 1.00 1.06 H new ATOM 0 HG22 ILE A 25 5.495 3.276 5.181 1.00 1.06 H new ATOM 0 HG23 ILE A 25 6.797 2.859 4.042 1.00 1.06 H new ATOM 0 HD11 ILE A 25 10.403 3.342 6.666 1.00 0.91 H new ATOM 0 HD12 ILE A 25 9.111 4.178 7.560 1.00 0.91 H new ATOM 0 HD13 ILE A 25 8.825 2.552 6.896 1.00 0.91 H new ATOM 358 N GLY A 26 8.792 7.051 4.280 1.00 1.49 N ATOM 359 CA GLY A 26 9.623 8.217 4.556 1.00 1.87 C ATOM 360 C GLY A 26 10.856 7.832 5.362 1.00 1.82 C ATOM 361 O GLY A 26 11.746 7.143 4.861 1.00 2.29 O ATOM 0 H GLY A 26 9.129 6.465 3.517 1.00 1.49 H new ATOM 0 HA2 GLY A 26 9.928 8.681 3.618 1.00 1.87 H new ATOM 0 HA3 GLY A 26 9.043 8.959 5.105 1.00 1.87 H new ATOM 365 N LYS A 27 10.904 8.278 6.613 1.00 1.86 N ATOM 366 CA LYS A 27 12.031 7.978 7.490 1.00 1.91 C ATOM 367 C LYS A 27 11.612 7.008 8.588 1.00 1.62 C ATOM 368 O LYS A 27 12.405 6.176 9.029 1.00 2.38 O ATOM 369 CB LYS A 27 12.570 9.266 8.109 1.00 2.21 C ATOM 370 CG LYS A 27 11.555 9.908 9.050 1.00 2.65 C ATOM 371 CD LYS A 27 12.148 11.111 9.777 1.00 3.30 C ATOM 372 CE LYS A 27 11.621 12.425 9.210 1.00 3.80 C ATOM 373 NZ LYS A 27 12.661 13.492 9.258 1.00 4.51 N ATOM 0 H LYS A 27 10.176 8.848 7.043 1.00 1.86 H new ATOM 0 HA LYS A 27 12.817 7.511 6.896 1.00 1.91 H new ATOM 0 HB2 LYS A 27 13.488 9.050 8.656 1.00 2.21 H new ATOM 0 HB3 LYS A 27 12.828 9.970 7.318 1.00 2.21 H new ATOM 0 HG2 LYS A 27 10.678 10.221 8.483 1.00 2.65 H new ATOM 0 HG3 LYS A 27 11.217 9.172 9.779 1.00 2.65 H new ATOM 0 HD2 LYS A 27 11.908 11.050 10.839 1.00 3.30 H new ATOM 0 HD3 LYS A 27 13.235 11.088 9.694 1.00 3.30 H new ATOM 0 HE2 LYS A 27 11.298 12.275 8.180 1.00 3.80 H new ATOM 0 HE3 LYS A 27 10.745 12.742 9.776 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 12.273 14.373 8.866 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 12.951 13.650 10.244 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 13.486 13.198 8.698 1.00 4.51 H new ATOM 387 N SER A 28 10.361 7.117 9.026 1.00 1.28 N ATOM 388 CA SER A 28 9.839 6.245 10.073 1.00 1.60 C ATOM 389 C SER A 28 8.315 6.267 10.082 1.00 1.60 C ATOM 390 O SER A 28 7.697 6.649 11.076 1.00 2.28 O ATOM 391 CB SER A 28 10.372 6.685 11.432 1.00 1.99 C ATOM 392 OG SER A 28 9.720 7.873 11.859 1.00 2.57 O ATOM 0 H SER A 28 9.691 7.800 8.673 1.00 1.28 H new ATOM 0 HA SER A 28 10.170 5.226 9.870 1.00 1.60 H new ATOM 0 HB2 SER A 28 10.216 5.893 12.165 1.00 1.99 H new ATOM 0 HB3 SER A 28 11.447 6.855 11.371 1.00 1.99 H new ATOM 0 HG SER A 28 8.763 7.698 11.973 1.00 2.57 H new ATOM 398 N GLY A 29 7.714 5.850 8.972 1.00 1.21 N ATOM 399 CA GLY A 29 6.260 5.818 8.853 1.00 1.23 C ATOM 400 C GLY A 29 5.683 7.227 8.788 1.00 1.36 C ATOM 401 O GLY A 29 6.073 8.102 9.559 1.00 2.05 O ATOM 0 H GLY A 29 8.212 5.529 8.141 1.00 1.21 H new ATOM 0 HA2 GLY A 29 5.978 5.265 7.957 1.00 1.23 H new ATOM 0 HA3 GLY A 29 5.834 5.286 9.704 1.00 1.23 H new ATOM 405 N ALA A 30 4.752 7.440 7.862 1.00 1.00 N ATOM 406 CA ALA A 30 4.122 8.745 7.698 1.00 1.10 C ATOM 407 C ALA A 30 3.128 8.728 6.542 1.00 1.06 C ATOM 408 O ALA A 30 1.971 9.116 6.702 1.00 1.43 O ATOM 409 CB ALA A 30 5.189 9.807 7.446 1.00 1.27 C ATOM 0 H ALA A 30 4.418 6.726 7.215 1.00 1.00 H new ATOM 0 HA ALA A 30 3.581 8.982 8.614 1.00 1.10 H new ATOM 0 HB1 ALA A 30 4.713 10.780 7.324 1.00 1.27 H new ATOM 0 HB2 ALA A 30 5.875 9.842 8.293 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.743 9.559 6.541 1.00 1.27 H new ATOM 415 N ASN A 31 3.585 8.283 5.375 1.00 0.73 N ATOM 416 CA ASN A 31 2.735 8.223 4.189 1.00 0.69 C ATOM 417 C ASN A 31 1.597 7.229 4.383 1.00 0.60 C ATOM 418 O ASN A 31 0.458 7.494 3.999 1.00 0.58 O ATOM 419 CB ASN A 31 3.564 7.826 2.971 1.00 0.71 C ATOM 420 CG ASN A 31 2.975 8.438 1.707 1.00 1.24 C ATOM 421 OD1 ASN A 31 2.473 9.562 1.725 1.00 1.91 O ATOM 422 ND2 ASN A 31 3.034 7.698 0.606 1.00 1.42 N ATOM 0 H ASN A 31 4.540 7.958 5.225 1.00 0.73 H new ATOM 0 HA ASN A 31 2.306 9.212 4.029 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.594 8.160 3.099 1.00 0.71 H new ATOM 0 HB3 ASN A 31 3.590 6.740 2.879 1.00 0.71 H new ATOM 0 HD21 ASN A 31 2.654 8.056 -0.270 1.00 1.42 H new ATOM 0 HD22 ASN A 31 3.459 6.771 0.637 1.00 1.42 H new ATOM 429 N ILE A 32 1.910 6.081 4.975 1.00 0.58 N ATOM 430 CA ILE A 32 0.913 5.038 5.215 1.00 0.56 C ATOM 431 C ILE A 32 -0.356 5.624 5.828 1.00 0.52 C ATOM 432 O ILE A 32 -1.466 5.196 5.506 1.00 0.51 O ATOM 433 CB ILE A 32 1.482 3.957 6.134 1.00 0.63 C ATOM 434 CG1 ILE A 32 2.359 4.567 7.227 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.269 2.926 5.333 1.00 0.69 C ATOM 436 CD1 ILE A 32 2.339 3.721 8.496 1.00 1.07 C ATOM 0 H ILE A 32 2.848 5.847 5.299 1.00 0.58 H new ATOM 0 HA ILE A 32 0.658 4.591 4.254 1.00 0.56 H new ATOM 0 HB ILE A 32 0.643 3.454 6.615 1.00 0.63 H new ATOM 0 HG12 ILE A 32 3.383 4.658 6.865 1.00 0.70 H new ATOM 0 HG13 ILE A 32 2.011 5.575 7.454 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.665 2.166 6.007 1.00 0.69 H new ATOM 0 HG22 ILE A 32 1.612 2.455 4.601 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.093 3.418 4.817 1.00 0.69 H new ATOM 0 HD11 ILE A 32 2.973 4.184 9.252 1.00 1.07 H new ATOM 0 HD12 ILE A 32 1.318 3.652 8.871 1.00 1.07 H new ATOM 0 HD13 ILE A 32 2.712 2.721 8.273 1.00 1.07 H new ATOM 448 N ASN A 33 -0.187 6.605 6.708 1.00 0.56 N ATOM 449 CA ASN A 33 -1.320 7.249 7.363 1.00 0.59 C ATOM 450 C ASN A 33 -2.035 8.185 6.397 1.00 0.54 C ATOM 451 O ASN A 33 -3.260 8.307 6.428 1.00 0.55 O ATOM 452 CB ASN A 33 -0.839 8.031 8.583 1.00 0.71 C ATOM 453 CG ASN A 33 -1.904 8.025 9.671 1.00 0.97 C ATOM 454 OD1 ASN A 33 -2.906 7.317 9.570 1.00 1.51 O ATOM 455 ND2 ASN A 33 -1.688 8.818 10.715 1.00 1.62 N ATOM 0 H ASN A 33 0.724 6.972 6.984 1.00 0.56 H new ATOM 0 HA ASN A 33 -2.021 6.478 7.683 1.00 0.59 H new ATOM 0 HB2 ASN A 33 0.082 7.591 8.965 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.608 9.057 8.297 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -2.367 8.857 11.475 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -0.843 9.388 10.756 1.00 1.62 H new ATOM 462 N ARG A 34 -1.264 8.845 5.540 1.00 0.55 N ATOM 463 CA ARG A 34 -1.827 9.771 4.563 1.00 0.56 C ATOM 464 C ARG A 34 -2.876 9.071 3.711 1.00 0.48 C ATOM 465 O ARG A 34 -4.059 9.405 3.770 1.00 0.48 O ATOM 466 CB ARG A 34 -0.722 10.331 3.673 1.00 0.65 C ATOM 467 CG ARG A 34 -0.704 11.857 3.694 1.00 0.89 C ATOM 468 CD ARG A 34 0.120 12.427 2.543 1.00 1.22 C ATOM 469 NE ARG A 34 0.753 13.678 2.944 1.00 1.69 N ATOM 470 CZ ARG A 34 0.263 14.858 2.575 1.00 2.27 C ATOM 471 NH1 ARG A 34 0.493 15.320 1.355 1.00 2.78 N ATOM 472 NH2 ARG A 34 -0.456 15.575 3.427 1.00 2.90 N ATOM 0 H ARG A 34 -0.249 8.757 5.502 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.303 10.593 5.098 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.243 9.950 4.007 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.866 9.982 2.650 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -1.725 12.234 3.632 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -0.293 12.203 4.642 1.00 0.89 H new ATOM 0 HD2 ARG A 34 0.881 11.707 2.240 1.00 1.22 H new ATOM 0 HD3 ARG A 34 -0.521 12.597 1.678 1.00 1.22 H new ATOM 0 HE ARG A 34 1.593 13.647 3.522 1.00 1.69 H new ATOM 0 HH11 ARG A 34 1.046 14.771 0.698 1.00 2.78 H new ATOM 0 HH12 ARG A 34 0.117 16.225 1.073 1.00 2.78 H new ATOM 0 HH21 ARG A 34 -0.634 15.222 4.367 1.00 2.90 H new ATOM 0 HH22 ARG A 34 -0.831 16.480 3.142 1.00 2.90 H new ATOM 486 N ILE A 35 -2.441 8.091 2.924 1.00 0.45 N ATOM 487 CA ILE A 35 -3.353 7.342 2.066 1.00 0.40 C ATOM 488 C ILE A 35 -4.496 6.778 2.903 1.00 0.34 C ATOM 489 O ILE A 35 -5.669 7.015 2.616 1.00 0.34 O ATOM 490 CB ILE A 35 -2.606 6.213 1.355 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.517 6.777 0.444 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.567 5.341 0.551 1.00 0.40 C ATOM 493 CD1 ILE A 35 -0.177 6.879 1.163 1.00 1.29 C ATOM 0 H ILE A 35 -1.466 7.798 2.863 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.763 8.012 1.310 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.136 5.592 2.118 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -1.411 6.140 -0.434 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -1.815 7.763 0.088 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -3.009 4.546 0.056 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.307 4.902 1.220 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -4.072 5.951 -0.198 1.00 0.40 H new ATOM 0 HD11 ILE A 35 0.571 7.284 0.482 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -0.276 7.537 2.026 1.00 1.29 H new ATOM 0 HD13 ILE A 35 0.134 5.889 1.496 1.00 1.29 H new ATOM 505 N LYS A 36 -4.136 6.040 3.952 1.00 0.35 N ATOM 506 CA LYS A 36 -5.109 5.440 4.863 1.00 0.36 C ATOM 507 C LYS A 36 -6.230 6.427 5.187 1.00 0.39 C ATOM 508 O LYS A 36 -7.380 6.033 5.371 1.00 0.51 O ATOM 509 CB LYS A 36 -4.397 5.006 6.148 1.00 0.44 C ATOM 510 CG LYS A 36 -5.382 4.622 7.249 1.00 1.09 C ATOM 511 CD LYS A 36 -4.697 3.869 8.386 1.00 1.41 C ATOM 512 CE LYS A 36 -4.075 4.826 9.399 1.00 2.17 C ATOM 513 NZ LYS A 36 -4.158 4.279 10.782 1.00 2.76 N ATOM 0 H LYS A 36 -3.165 5.842 4.194 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.556 4.570 4.382 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -3.746 4.158 5.933 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -3.759 5.817 6.500 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -5.856 5.521 7.642 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -6.174 4.002 6.828 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -5.422 3.228 8.888 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -3.924 3.217 7.978 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -3.032 5.007 9.139 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -4.586 5.788 9.355 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -3.727 4.952 11.448 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -5.155 4.130 11.037 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -3.650 3.373 10.828 1.00 2.76 H new ATOM 527 N ASP A 37 -5.885 7.707 5.258 1.00 0.40 N ATOM 528 CA ASP A 37 -6.860 8.741 5.561 1.00 0.45 C ATOM 529 C ASP A 37 -7.541 9.218 4.284 1.00 0.44 C ATOM 530 O ASP A 37 -8.759 9.118 4.142 1.00 0.60 O ATOM 531 CB ASP A 37 -6.171 9.909 6.247 1.00 0.51 C ATOM 532 CG ASP A 37 -6.923 10.302 7.512 1.00 0.82 C ATOM 533 OD1 ASP A 37 -8.028 10.875 7.393 1.00 1.56 O ATOM 534 OD2 ASP A 37 -6.408 10.039 8.618 1.00 1.37 O ATOM 0 H ASP A 37 -4.936 8.051 5.109 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.618 8.327 6.227 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.145 9.639 6.496 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -6.121 10.760 5.567 1.00 0.51 H new ATOM 539 N GLN A 38 -6.742 9.733 3.359 1.00 0.41 N ATOM 540 CA GLN A 38 -7.251 10.227 2.085 1.00 0.46 C ATOM 541 C GLN A 38 -8.065 9.154 1.377 1.00 0.42 C ATOM 542 O GLN A 38 -9.267 9.309 1.159 1.00 0.68 O ATOM 543 CB GLN A 38 -6.086 10.651 1.197 1.00 0.54 C ATOM 544 CG GLN A 38 -6.551 11.432 -0.021 1.00 0.65 C ATOM 545 CD GLN A 38 -7.434 12.601 0.399 1.00 1.05 C ATOM 546 OE1 GLN A 38 -7.186 13.248 1.415 1.00 1.65 O ATOM 547 NE2 GLN A 38 -8.469 12.873 -0.389 1.00 1.66 N ATOM 0 H GLN A 38 -5.732 9.820 3.468 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.897 11.083 2.279 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -5.393 11.262 1.776 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.537 9.767 0.873 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.688 11.801 -0.575 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -7.103 10.775 -0.693 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -8.637 12.310 -1.223 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -9.095 13.645 -0.160 1.00 1.66 H new ATOM 556 N TYR A 39 -7.394 8.070 1.011 1.00 0.34 N ATOM 557 CA TYR A 39 -8.034 6.962 0.313 1.00 0.34 C ATOM 558 C TYR A 39 -8.919 6.138 1.247 1.00 0.30 C ATOM 559 O TYR A 39 -9.647 5.255 0.794 1.00 0.32 O ATOM 560 CB TYR A 39 -6.967 6.076 -0.316 1.00 0.39 C ATOM 561 CG TYR A 39 -6.245 6.757 -1.449 1.00 0.46 C ATOM 562 CD1 TYR A 39 -5.287 7.720 -1.188 1.00 0.53 C ATOM 563 CD2 TYR A 39 -6.536 6.416 -2.758 1.00 0.64 C ATOM 564 CE1 TYR A 39 -4.622 8.339 -2.232 1.00 0.62 C ATOM 565 CE2 TYR A 39 -5.871 7.034 -3.801 1.00 0.73 C ATOM 566 CZ TYR A 39 -4.927 8.021 -3.524 1.00 0.66 C ATOM 567 OH TYR A 39 -4.256 8.608 -4.572 1.00 0.77 O ATOM 0 H TYR A 39 -6.399 7.934 1.188 1.00 0.34 H new ATOM 0 HA TYR A 39 -8.677 7.376 -0.464 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.245 5.785 0.447 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -7.430 5.160 -0.683 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.058 7.989 -0.168 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -7.284 5.665 -2.966 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -3.860 9.075 -2.024 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -6.082 6.754 -4.823 1.00 0.73 H new ATOM 0 HH TYR A 39 -4.418 8.096 -5.392 1.00 0.77 H new ATOM 577 N LYS A 40 -8.863 6.423 2.547 1.00 0.28 N ATOM 578 CA LYS A 40 -9.672 5.692 3.516 1.00 0.31 C ATOM 579 C LYS A 40 -9.444 4.193 3.366 1.00 0.29 C ATOM 580 O LYS A 40 -10.395 3.412 3.318 1.00 0.39 O ATOM 581 CB LYS A 40 -11.149 6.013 3.309 1.00 0.38 C ATOM 582 CG LYS A 40 -11.497 7.411 3.816 1.00 0.86 C ATOM 583 CD LYS A 40 -12.221 8.232 2.750 1.00 1.29 C ATOM 584 CE LYS A 40 -13.692 7.843 2.643 1.00 1.88 C ATOM 585 NZ LYS A 40 -14.497 8.933 2.023 1.00 2.56 N ATOM 0 H LYS A 40 -8.270 7.149 2.950 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.377 5.996 4.520 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.393 5.938 2.249 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -11.759 5.274 3.829 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -12.125 7.331 4.703 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -10.585 7.927 4.116 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -12.141 9.292 2.990 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -11.735 8.086 1.785 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -13.788 6.934 2.049 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -14.084 7.618 3.635 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -15.493 8.639 1.964 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -14.424 9.792 2.604 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -14.137 9.130 1.067 1.00 2.56 H new ATOM 599 N VAL A 41 -8.178 3.798 3.281 1.00 0.23 N ATOM 600 CA VAL A 41 -7.821 2.393 3.122 1.00 0.23 C ATOM 601 C VAL A 41 -6.799 1.975 4.172 1.00 0.27 C ATOM 602 O VAL A 41 -6.496 2.733 5.092 1.00 0.33 O ATOM 603 CB VAL A 41 -7.258 2.168 1.725 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.322 2.440 0.671 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.037 3.052 1.488 1.00 0.23 C ATOM 0 H VAL A 41 -7.380 4.433 3.320 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.715 1.784 3.256 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.949 1.126 1.645 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.902 2.274 -0.321 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -9.166 1.768 0.825 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.661 3.473 0.754 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.650 2.876 0.484 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.321 4.099 1.589 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.267 2.813 2.221 1.00 0.23 H new ATOM 615 N SER A 42 -6.272 0.763 4.033 1.00 0.29 N ATOM 616 CA SER A 42 -5.285 0.247 4.973 1.00 0.34 C ATOM 617 C SER A 42 -4.032 -0.212 4.240 1.00 0.30 C ATOM 618 O SER A 42 -3.902 -1.385 3.888 1.00 0.36 O ATOM 619 CB SER A 42 -5.877 -0.914 5.764 1.00 0.43 C ATOM 620 OG SER A 42 -5.347 -0.934 7.082 1.00 0.93 O ATOM 0 H SER A 42 -6.512 0.120 3.278 1.00 0.29 H new ATOM 0 HA SER A 42 -5.011 1.048 5.659 1.00 0.34 H new ATOM 0 HB2 SER A 42 -6.962 -0.821 5.803 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.656 -1.856 5.261 1.00 0.43 H new ATOM 0 HG SER A 42 -5.736 -1.683 7.580 1.00 0.93 H new ATOM 626 N VAL A 43 -3.109 0.719 4.015 1.00 0.33 N ATOM 627 CA VAL A 43 -1.861 0.409 3.330 1.00 0.34 C ATOM 628 C VAL A 43 -0.801 -0.017 4.336 1.00 0.35 C ATOM 629 O VAL A 43 -0.604 0.641 5.359 1.00 0.55 O ATOM 630 CB VAL A 43 -1.376 1.625 2.545 1.00 0.49 C ATOM 631 CG1 VAL A 43 -1.193 2.829 3.465 1.00 1.25 C ATOM 632 CG2 VAL A 43 -0.077 1.309 1.810 1.00 0.54 C ATOM 0 H VAL A 43 -3.203 1.694 4.298 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.038 -0.412 2.636 1.00 0.34 H new ATOM 0 HB VAL A 43 -2.137 1.875 1.806 1.00 0.49 H new ATOM 0 HG11 VAL A 43 -0.847 3.683 2.882 1.00 1.25 H new ATOM 0 HG12 VAL A 43 -2.144 3.074 3.938 1.00 1.25 H new ATOM 0 HG13 VAL A 43 -0.457 2.592 4.233 1.00 1.25 H new ATOM 0 HG21 VAL A 43 0.251 2.189 1.257 1.00 0.54 H new ATOM 0 HG22 VAL A 43 0.690 1.027 2.531 1.00 0.54 H new ATOM 0 HG23 VAL A 43 -0.243 0.485 1.116 1.00 0.54 H new ATOM 642 N ARG A 44 -0.125 -1.124 4.049 1.00 0.31 N ATOM 643 CA ARG A 44 0.908 -1.635 4.941 1.00 0.42 C ATOM 644 C ARG A 44 2.223 -1.831 4.198 1.00 0.40 C ATOM 645 O ARG A 44 2.256 -2.406 3.109 1.00 0.41 O ATOM 646 CB ARG A 44 0.458 -2.958 5.552 1.00 0.52 C ATOM 647 CG ARG A 44 -0.865 -2.812 6.296 1.00 0.78 C ATOM 648 CD ARG A 44 -0.650 -2.388 7.745 1.00 1.05 C ATOM 649 NE ARG A 44 -0.574 -3.560 8.609 1.00 1.31 N ATOM 650 CZ ARG A 44 -1.495 -3.805 9.536 1.00 1.74 C ATOM 651 NH1 ARG A 44 -2.777 -3.857 9.201 1.00 2.28 N ATOM 652 NH2 ARG A 44 -1.135 -3.999 10.797 1.00 2.27 N ATOM 0 H ARG A 44 -0.273 -1.683 3.209 1.00 0.31 H new ATOM 0 HA ARG A 44 1.067 -0.904 5.733 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.353 -3.706 4.766 1.00 0.52 H new ATOM 0 HB3 ARG A 44 1.223 -3.322 6.238 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -1.489 -2.075 5.789 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -1.404 -3.759 6.269 1.00 0.78 H new ATOM 0 HD2 ARG A 44 0.268 -1.806 7.828 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -1.467 -1.742 8.067 1.00 1.05 H new ATOM 0 HE ARG A 44 0.206 -4.208 8.499 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -3.057 -3.709 8.231 1.00 2.28 H new ATOM 0 HH12 ARG A 44 -3.483 -4.045 9.913 1.00 2.28 H new ATOM 0 HH21 ARG A 44 -0.150 -3.960 11.058 1.00 2.27 H new ATOM 0 HH22 ARG A 44 -1.843 -4.187 11.506 1.00 2.27 H new ATOM 666 N ILE A 45 3.306 -1.355 4.801 1.00 0.46 N ATOM 667 CA ILE A 45 4.635 -1.475 4.217 1.00 0.47 C ATOM 668 C ILE A 45 5.458 -2.482 5.023 1.00 0.53 C ATOM 669 O ILE A 45 6.184 -2.106 5.943 1.00 0.64 O ATOM 670 CB ILE A 45 5.310 -0.095 4.187 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.717 0.753 3.064 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.830 -0.192 4.030 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.141 0.243 1.686 1.00 0.56 C ATOM 0 H ILE A 45 3.288 -0.878 5.702 1.00 0.46 H new ATOM 0 HA ILE A 45 4.562 -1.839 3.192 1.00 0.47 H new ATOM 0 HB ILE A 45 5.116 0.382 5.148 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.629 0.744 3.137 1.00 0.59 H new ATOM 0 HG13 ILE A 45 5.036 1.789 3.183 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.259 0.810 4.014 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.247 -0.752 4.867 1.00 0.60 H new ATOM 0 HG23 ILE A 45 7.068 -0.703 3.097 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.699 0.872 0.913 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.227 0.277 1.604 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.799 -0.784 1.557 1.00 0.56 H new ATOM 685 N PRO A 46 5.352 -3.777 4.682 1.00 0.48 N ATOM 686 CA PRO A 46 6.089 -4.839 5.381 1.00 0.58 C ATOM 687 C PRO A 46 7.575 -4.834 5.026 1.00 0.61 C ATOM 688 O PRO A 46 7.952 -5.162 3.901 1.00 0.56 O ATOM 689 CB PRO A 46 5.411 -6.121 4.903 1.00 0.57 C ATOM 690 CG PRO A 46 4.811 -5.780 3.579 1.00 0.47 C ATOM 691 CD PRO A 46 4.506 -4.306 3.596 1.00 0.41 C ATOM 0 HA PRO A 46 6.060 -4.718 6.464 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.130 -6.935 4.811 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.647 -6.448 5.608 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.501 -6.021 2.770 1.00 0.47 H new ATOM 0 HG3 PRO A 46 3.904 -6.359 3.407 1.00 0.47 H new ATOM 0 HD2 PRO A 46 4.745 -3.838 2.641 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.449 -4.120 3.787 1.00 0.41 H new ATOM 699 N PRO A 47 8.444 -4.461 5.984 1.00 0.74 N ATOM 700 CA PRO A 47 9.893 -4.420 5.754 1.00 0.81 C ATOM 701 C PRO A 47 10.506 -5.815 5.723 1.00 0.87 C ATOM 702 O PRO A 47 10.211 -6.653 6.575 1.00 1.53 O ATOM 703 CB PRO A 47 10.423 -3.607 6.931 1.00 0.98 C ATOM 704 CG PRO A 47 9.412 -3.776 8.017 1.00 1.03 C ATOM 705 CD PRO A 47 8.086 -4.054 7.354 1.00 0.85 C ATOM 0 HA PRO A 47 10.146 -3.983 4.788 1.00 0.81 H new ATOM 0 HB2 PRO A 47 11.403 -3.966 7.247 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.539 -2.557 6.663 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.691 -4.597 8.678 1.00 1.03 H new ATOM 0 HG3 PRO A 47 9.354 -2.878 8.631 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.539 -4.841 7.873 1.00 0.85 H new ATOM 0 HD3 PRO A 47 7.448 -3.170 7.353 1.00 0.85 H new ATOM 713 N ASP A 48 11.362 -6.058 4.736 1.00 1.32 N ATOM 714 CA ASP A 48 12.020 -7.353 4.593 1.00 1.46 C ATOM 715 C ASP A 48 12.832 -7.399 3.305 1.00 1.48 C ATOM 716 O ASP A 48 12.308 -7.147 2.219 1.00 2.18 O ATOM 717 CB ASP A 48 10.979 -8.470 4.591 1.00 2.16 C ATOM 718 CG ASP A 48 9.909 -8.192 3.543 1.00 2.56 C ATOM 719 OD1 ASP A 48 9.172 -7.195 3.695 1.00 3.01 O ATOM 720 OD2 ASP A 48 9.809 -8.973 2.573 1.00 3.03 O ATOM 0 H ASP A 48 11.617 -5.375 4.023 1.00 1.32 H new ATOM 0 HA ASP A 48 12.695 -7.494 5.437 1.00 1.46 H new ATOM 0 HB2 ASP A 48 11.461 -9.425 4.384 1.00 2.16 H new ATOM 0 HB3 ASP A 48 10.520 -8.551 5.577 1.00 2.16 H new ATOM 725 N SER A 49 14.115 -7.721 3.431 1.00 1.59 N ATOM 726 CA SER A 49 15.004 -7.800 2.276 1.00 2.11 C ATOM 727 C SER A 49 15.414 -9.243 2.014 1.00 1.90 C ATOM 728 O SER A 49 16.408 -9.725 2.557 1.00 2.33 O ATOM 729 CB SER A 49 16.244 -6.945 2.513 1.00 3.03 C ATOM 730 OG SER A 49 16.946 -7.393 3.663 1.00 3.81 O ATOM 0 H SER A 49 14.564 -7.932 4.322 1.00 1.59 H new ATOM 0 HA SER A 49 14.470 -7.425 1.403 1.00 2.11 H new ATOM 0 HB2 SER A 49 16.896 -6.991 1.641 1.00 3.03 H new ATOM 0 HB3 SER A 49 15.955 -5.902 2.640 1.00 3.03 H new ATOM 0 HG SER A 49 17.060 -8.365 3.619 1.00 3.81 H new ATOM 736 N GLU A 50 14.644 -9.931 1.175 1.00 1.92 N ATOM 737 CA GLU A 50 14.929 -11.321 0.838 1.00 2.27 C ATOM 738 C GLU A 50 15.181 -11.465 -0.657 1.00 2.09 C ATOM 739 O GLU A 50 16.212 -11.992 -1.074 1.00 2.74 O ATOM 740 CB GLU A 50 13.760 -12.208 1.255 1.00 3.06 C ATOM 741 CG GLU A 50 14.233 -13.424 2.047 1.00 3.83 C ATOM 742 CD GLU A 50 13.454 -14.664 1.630 1.00 4.43 C ATOM 743 OE1 GLU A 50 13.509 -15.027 0.437 1.00 4.75 O ATOM 744 OE2 GLU A 50 12.791 -15.270 2.497 1.00 4.97 O ATOM 0 H GLU A 50 13.818 -9.547 0.716 1.00 1.92 H new ATOM 0 HA GLU A 50 15.825 -11.633 1.375 1.00 2.27 H new ATOM 0 HB2 GLU A 50 13.061 -11.629 1.858 1.00 3.06 H new ATOM 0 HB3 GLU A 50 13.219 -12.538 0.368 1.00 3.06 H new ATOM 0 HG2 GLU A 50 15.298 -13.583 1.880 1.00 3.83 H new ATOM 0 HG3 GLU A 50 14.101 -13.245 3.114 1.00 3.83 H new ATOM 751 N LYS A 51 14.233 -10.991 -1.459 1.00 1.76 N ATOM 752 CA LYS A 51 14.349 -11.063 -2.911 1.00 1.77 C ATOM 753 C LYS A 51 13.428 -10.043 -3.567 1.00 1.55 C ATOM 754 O LYS A 51 13.881 -9.157 -4.292 1.00 2.20 O ATOM 755 CB LYS A 51 13.993 -12.467 -3.396 1.00 2.14 C ATOM 756 CG LYS A 51 15.231 -13.351 -3.514 1.00 2.60 C ATOM 757 CD LYS A 51 15.256 -14.430 -2.434 1.00 3.36 C ATOM 758 CE LYS A 51 16.677 -14.911 -2.157 1.00 4.12 C ATOM 759 NZ LYS A 51 16.736 -15.735 -0.917 1.00 4.81 N ATOM 0 H LYS A 51 13.374 -10.552 -1.127 1.00 1.76 H new ATOM 0 HA LYS A 51 15.379 -10.838 -3.189 1.00 1.77 H new ATOM 0 HB2 LYS A 51 13.284 -12.923 -2.704 1.00 2.14 H new ATOM 0 HB3 LYS A 51 13.497 -12.403 -4.365 1.00 2.14 H new ATOM 0 HG2 LYS A 51 15.252 -13.820 -4.498 1.00 2.60 H new ATOM 0 HG3 LYS A 51 16.127 -12.736 -3.435 1.00 2.60 H new ATOM 0 HD2 LYS A 51 14.818 -14.038 -1.516 1.00 3.36 H new ATOM 0 HD3 LYS A 51 14.640 -15.273 -2.746 1.00 3.36 H new ATOM 0 HE2 LYS A 51 17.037 -15.497 -3.003 1.00 4.12 H new ATOM 0 HE3 LYS A 51 17.341 -14.053 -2.058 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 17.714 -16.048 -0.754 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 16.415 -15.167 -0.107 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 16.120 -16.566 -1.023 1.00 4.81 H new ATOM 773 N SER A 52 12.132 -10.174 -3.306 1.00 1.19 N ATOM 774 CA SER A 52 11.140 -9.265 -3.865 1.00 1.04 C ATOM 775 C SER A 52 10.173 -8.806 -2.783 1.00 0.92 C ATOM 776 O SER A 52 9.655 -9.616 -2.015 1.00 1.19 O ATOM 777 CB SER A 52 10.372 -9.959 -4.986 1.00 1.25 C ATOM 778 OG SER A 52 11.208 -10.156 -6.115 1.00 2.03 O ATOM 0 H SER A 52 11.744 -10.904 -2.709 1.00 1.19 H new ATOM 0 HA SER A 52 11.654 -8.393 -4.269 1.00 1.04 H new ATOM 0 HB2 SER A 52 9.993 -10.919 -4.635 1.00 1.25 H new ATOM 0 HB3 SER A 52 9.507 -9.359 -5.267 1.00 1.25 H new ATOM 0 HG SER A 52 10.700 -10.604 -6.824 1.00 2.03 H new ATOM 784 N ASN A 53 9.931 -7.501 -2.726 1.00 0.68 N ATOM 785 CA ASN A 53 9.026 -6.936 -1.738 1.00 0.61 C ATOM 786 C ASN A 53 7.581 -7.118 -2.176 1.00 0.59 C ATOM 787 O ASN A 53 7.303 -7.386 -3.345 1.00 0.99 O ATOM 788 CB ASN A 53 9.326 -5.454 -1.537 1.00 0.60 C ATOM 789 CG ASN A 53 10.823 -5.237 -1.361 1.00 0.89 C ATOM 790 OD1 ASN A 53 11.373 -5.468 -0.285 1.00 1.68 O ATOM 791 ND2 ASN A 53 11.484 -4.792 -2.423 1.00 1.28 N ATOM 0 H ASN A 53 10.351 -6.816 -3.354 1.00 0.68 H new ATOM 0 HA ASN A 53 9.174 -7.460 -0.794 1.00 0.61 H new ATOM 0 HB2 ASN A 53 8.967 -4.884 -2.394 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.793 -5.083 -0.662 1.00 0.60 H new ATOM 0 HD21 ASN A 53 12.489 -4.628 -2.366 1.00 1.28 H new ATOM 0 HD22 ASN A 53 10.987 -4.614 -3.296 1.00 1.28 H new ATOM 798 N LEU A 54 6.669 -6.970 -1.228 1.00 0.55 N ATOM 799 CA LEU A 54 5.244 -7.117 -1.499 1.00 0.51 C ATOM 800 C LEU A 54 4.435 -6.286 -0.512 1.00 0.44 C ATOM 801 O LEU A 54 4.265 -6.672 0.644 1.00 0.57 O ATOM 802 CB LEU A 54 4.842 -8.584 -1.396 1.00 0.65 C ATOM 803 CG LEU A 54 4.122 -9.060 -2.656 1.00 0.82 C ATOM 804 CD1 LEU A 54 4.846 -10.251 -3.276 1.00 1.49 C ATOM 805 CD2 LEU A 54 2.671 -9.413 -2.344 1.00 1.49 C ATOM 0 H LEU A 54 6.890 -6.747 -0.258 1.00 0.55 H new ATOM 0 HA LEU A 54 5.039 -6.763 -2.509 1.00 0.51 H new ATOM 0 HB2 LEU A 54 5.730 -9.194 -1.231 1.00 0.65 H new ATOM 0 HB3 LEU A 54 4.194 -8.724 -0.531 1.00 0.65 H new ATOM 0 HG LEU A 54 4.128 -8.246 -3.380 1.00 0.82 H new ATOM 0 HD11 LEU A 54 4.315 -10.573 -4.172 1.00 1.49 H new ATOM 0 HD12 LEU A 54 5.863 -9.961 -3.541 1.00 1.49 H new ATOM 0 HD13 LEU A 54 4.878 -11.071 -2.559 1.00 1.49 H new ATOM 0 HD21 LEU A 54 2.175 -9.750 -3.254 1.00 1.49 H new ATOM 0 HD22 LEU A 54 2.642 -10.208 -1.599 1.00 1.49 H new ATOM 0 HD23 LEU A 54 2.158 -8.533 -1.955 1.00 1.49 H new ATOM 817 N ILE A 55 3.943 -5.141 -0.973 1.00 0.31 N ATOM 818 CA ILE A 55 3.156 -4.253 -0.125 1.00 0.26 C ATOM 819 C ILE A 55 1.729 -4.765 0.007 1.00 0.27 C ATOM 820 O ILE A 55 1.127 -5.216 -0.969 1.00 0.34 O ATOM 821 CB ILE A 55 3.148 -2.839 -0.698 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.542 -2.447 -1.196 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.644 -1.840 0.340 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.601 -0.985 -1.632 1.00 0.35 C ATOM 0 H ILE A 55 4.075 -4.806 -1.927 1.00 0.31 H new ATOM 0 HA ILE A 55 3.614 -4.232 0.864 1.00 0.26 H new ATOM 0 HB ILE A 55 2.466 -2.820 -1.548 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.272 -2.620 -0.405 1.00 0.31 H new ATOM 0 HG13 ILE A 55 4.822 -3.087 -2.033 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.646 -0.838 -0.089 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.630 -2.105 0.638 1.00 0.31 H new ATOM 0 HG23 ILE A 55 3.296 -1.863 1.213 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.607 -0.749 -1.978 1.00 0.35 H new ATOM 0 HD12 ILE A 55 3.890 -0.818 -2.441 1.00 0.35 H new ATOM 0 HD13 ILE A 55 4.348 -0.343 -0.788 1.00 0.35 H new ATOM 836 N ARG A 56 1.194 -4.692 1.222 1.00 0.29 N ATOM 837 CA ARG A 56 -0.163 -5.149 1.491 1.00 0.32 C ATOM 838 C ARG A 56 -1.131 -3.974 1.511 1.00 0.29 C ATOM 839 O ARG A 56 -0.898 -2.973 2.186 1.00 0.42 O ATOM 840 CB ARG A 56 -0.212 -5.881 2.828 1.00 0.42 C ATOM 841 CG ARG A 56 0.352 -7.292 2.709 1.00 0.55 C ATOM 842 CD ARG A 56 1.611 -7.469 3.552 1.00 0.84 C ATOM 843 NE ARG A 56 1.332 -8.308 4.713 1.00 1.44 N ATOM 844 CZ ARG A 56 1.709 -7.954 5.936 1.00 1.77 C ATOM 845 NH1 ARG A 56 2.948 -8.189 6.345 1.00 2.19 N ATOM 846 NH2 ARG A 56 0.848 -7.362 6.753 1.00 2.33 N ATOM 0 H ARG A 56 1.682 -4.320 2.037 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.460 -5.832 0.695 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.356 -5.322 3.572 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.242 -5.928 3.182 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.402 -8.013 3.025 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.580 -7.506 1.665 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.399 -7.921 2.950 1.00 0.84 H new ATOM 0 HD3 ARG A 56 1.978 -6.496 3.878 1.00 0.84 H new ATOM 0 HE ARG A 56 0.835 -9.189 4.582 1.00 1.44 H new ATOM 0 HH11 ARG A 56 3.614 -8.643 5.720 1.00 2.19 H new ATOM 0 HH12 ARG A 56 3.235 -7.916 7.285 1.00 2.19 H new ATOM 0 HH21 ARG A 56 -0.106 -7.178 6.442 1.00 2.33 H new ATOM 0 HH22 ARG A 56 1.140 -7.091 7.692 1.00 2.33 H new ATOM 860 N ILE A 57 -2.220 -4.107 0.764 1.00 0.24 N ATOM 861 CA ILE A 57 -3.232 -3.060 0.688 1.00 0.24 C ATOM 862 C ILE A 57 -4.627 -3.658 0.826 1.00 0.26 C ATOM 863 O ILE A 57 -4.943 -4.662 0.188 1.00 0.40 O ATOM 864 CB ILE A 57 -3.117 -2.318 -0.637 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.661 -1.951 -0.923 1.00 0.28 C ATOM 866 CG2 ILE A 57 -4.001 -1.075 -0.642 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.167 -0.836 -0.004 1.00 1.32 C ATOM 0 H ILE A 57 -2.426 -4.932 0.201 1.00 0.24 H new ATOM 0 HA ILE A 57 -3.068 -2.359 1.506 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.464 -2.980 -1.430 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.032 -2.832 -0.796 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.563 -1.636 -1.962 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -3.902 -0.562 -1.599 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -5.040 -1.367 -0.493 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.693 -0.406 0.162 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.128 -0.604 -0.239 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.779 0.054 -0.150 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.241 -1.161 1.034 1.00 1.32 H new ATOM 879 N GLU A 58 -5.458 -3.043 1.661 1.00 0.23 N ATOM 880 CA GLU A 58 -6.818 -3.527 1.874 1.00 0.25 C ATOM 881 C GLU A 58 -7.727 -2.410 2.363 1.00 0.24 C ATOM 882 O GLU A 58 -7.313 -1.540 3.128 1.00 0.26 O ATOM 883 CB GLU A 58 -6.809 -4.669 2.886 1.00 0.32 C ATOM 884 CG GLU A 58 -8.218 -5.181 3.169 1.00 0.37 C ATOM 885 CD GLU A 58 -8.822 -4.443 4.357 1.00 0.82 C ATOM 886 OE1 GLU A 58 -8.089 -4.184 5.335 1.00 1.56 O ATOM 887 OE2 GLU A 58 -10.029 -4.123 4.307 1.00 1.47 O ATOM 0 H GLU A 58 -5.215 -2.212 2.200 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.205 -3.888 0.921 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.194 -5.486 2.508 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.352 -4.329 3.815 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.846 -5.042 2.289 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.189 -6.251 3.374 1.00 0.37 H new ATOM 894 N GLY A 59 -8.974 -2.450 1.911 1.00 0.25 N ATOM 895 CA GLY A 59 -9.970 -1.455 2.283 1.00 0.27 C ATOM 896 C GLY A 59 -11.365 -1.979 1.980 1.00 0.39 C ATOM 897 O GLY A 59 -11.793 -2.988 2.542 1.00 0.59 O ATOM 0 H GLY A 59 -9.322 -3.171 1.278 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.883 -1.220 3.344 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.793 -0.529 1.736 1.00 0.27 H new ATOM 901 N ASP A 60 -12.071 -1.305 1.078 1.00 0.53 N ATOM 902 CA ASP A 60 -13.413 -1.734 0.706 1.00 0.70 C ATOM 903 C ASP A 60 -13.928 -0.969 -0.507 1.00 0.59 C ATOM 904 O ASP A 60 -14.142 -1.552 -1.570 1.00 1.04 O ATOM 905 CB ASP A 60 -14.367 -1.555 1.883 1.00 1.22 C ATOM 906 CG ASP A 60 -14.740 -2.908 2.473 1.00 1.93 C ATOM 907 OD1 ASP A 60 -15.418 -3.694 1.779 1.00 2.66 O ATOM 908 OD2 ASP A 60 -14.351 -3.181 3.628 1.00 2.31 O ATOM 0 H ASP A 60 -11.741 -0.469 0.596 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.364 -2.790 0.439 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.900 -0.934 2.647 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.266 -1.034 1.555 1.00 1.22 H new ATOM 913 N PRO A 61 -14.142 0.349 -0.371 1.00 0.72 N ATOM 914 CA PRO A 61 -14.643 1.175 -1.477 1.00 1.14 C ATOM 915 C PRO A 61 -13.591 1.378 -2.559 1.00 0.88 C ATOM 916 O PRO A 61 -12.526 0.761 -2.528 1.00 1.22 O ATOM 917 CB PRO A 61 -15.007 2.494 -0.802 1.00 1.82 C ATOM 918 CG PRO A 61 -14.157 2.554 0.421 1.00 1.82 C ATOM 919 CD PRO A 61 -13.918 1.133 0.856 1.00 1.17 C ATOM 0 HA PRO A 61 -15.485 0.713 -1.992 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -14.811 3.341 -1.460 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.066 2.527 -0.547 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -13.213 3.058 0.211 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -14.653 3.121 1.209 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -12.907 0.996 1.239 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -14.603 0.837 1.651 1.00 1.17 H new ATOM 927 N GLN A 62 -13.893 2.250 -3.514 1.00 0.64 N ATOM 928 CA GLN A 62 -12.971 2.542 -4.605 1.00 0.47 C ATOM 929 C GLN A 62 -11.613 2.981 -4.062 1.00 0.41 C ATOM 930 O GLN A 62 -10.604 2.913 -4.763 1.00 0.47 O ATOM 931 CB GLN A 62 -13.549 3.638 -5.496 1.00 0.69 C ATOM 932 CG GLN A 62 -14.844 3.192 -6.169 1.00 0.85 C ATOM 933 CD GLN A 62 -15.937 4.233 -5.958 1.00 1.34 C ATOM 934 OE1 GLN A 62 -16.498 4.348 -4.868 1.00 2.14 O ATOM 935 NE2 GLN A 62 -16.242 4.992 -7.004 1.00 1.73 N ATOM 0 H GLN A 62 -14.771 2.768 -3.555 1.00 0.64 H new ATOM 0 HA GLN A 62 -12.834 1.634 -5.192 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -13.737 4.531 -4.900 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -12.818 3.912 -6.257 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -14.675 3.044 -7.236 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -15.162 2.233 -5.760 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -15.751 4.862 -7.889 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -16.967 5.705 -6.923 1.00 1.73 H new ATOM 944 N GLY A 63 -11.596 3.444 -2.815 1.00 0.37 N ATOM 945 CA GLY A 63 -10.370 3.908 -2.177 1.00 0.34 C ATOM 946 C GLY A 63 -9.269 2.853 -2.205 1.00 0.27 C ATOM 947 O GLY A 63 -8.123 3.161 -2.530 1.00 0.29 O ATOM 0 H GLY A 63 -12.425 3.507 -2.224 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.020 4.809 -2.680 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.582 4.182 -1.143 1.00 0.34 H new ATOM 951 N VAL A 64 -9.602 1.615 -1.845 1.00 0.24 N ATOM 952 CA VAL A 64 -8.606 0.548 -1.820 1.00 0.21 C ATOM 953 C VAL A 64 -8.111 0.222 -3.229 1.00 0.24 C ATOM 954 O VAL A 64 -6.906 0.191 -3.478 1.00 0.28 O ATOM 955 CB VAL A 64 -9.160 -0.704 -1.118 1.00 0.24 C ATOM 956 CG1 VAL A 64 -9.997 -1.580 -2.050 1.00 0.30 C ATOM 957 CG2 VAL A 64 -8.014 -1.514 -0.522 1.00 0.26 C ATOM 0 H VAL A 64 -10.542 1.329 -1.570 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.750 0.901 -1.245 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.824 -0.362 -0.324 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.362 -2.449 -1.502 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.844 -1.006 -2.426 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.383 -1.911 -2.887 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.413 -2.399 -0.026 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.333 -1.819 -1.316 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.476 -0.904 0.203 1.00 0.26 H new ATOM 967 N GLN A 65 -9.042 -0.022 -4.146 1.00 0.25 N ATOM 968 CA GLN A 65 -8.685 -0.343 -5.524 1.00 0.30 C ATOM 969 C GLN A 65 -7.938 0.818 -6.164 1.00 0.30 C ATOM 970 O GLN A 65 -7.086 0.621 -7.029 1.00 0.34 O ATOM 971 CB GLN A 65 -9.939 -0.663 -6.331 1.00 0.37 C ATOM 972 CG GLN A 65 -10.892 0.525 -6.376 1.00 0.42 C ATOM 973 CD GLN A 65 -12.210 0.123 -7.025 1.00 0.78 C ATOM 974 OE1 GLN A 65 -12.934 -0.727 -6.508 1.00 1.56 O ATOM 975 NE2 GLN A 65 -12.521 0.733 -8.163 1.00 0.82 N ATOM 0 H GLN A 65 -10.045 -0.004 -3.961 1.00 0.25 H new ATOM 0 HA GLN A 65 -8.034 -1.217 -5.518 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.658 -0.944 -7.346 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -10.447 -1.522 -5.891 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.074 0.892 -5.366 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.438 1.343 -6.936 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -11.891 1.432 -8.556 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -13.390 0.502 -8.644 1.00 0.82 H new ATOM 984 N GLN A 66 -8.259 2.031 -5.727 1.00 0.29 N ATOM 985 CA GLN A 66 -7.618 3.229 -6.252 1.00 0.31 C ATOM 986 C GLN A 66 -6.210 3.357 -5.691 1.00 0.29 C ATOM 987 O GLN A 66 -5.230 3.344 -6.434 1.00 0.36 O ATOM 988 CB GLN A 66 -8.437 4.463 -5.887 1.00 0.35 C ATOM 989 CG GLN A 66 -9.591 4.677 -6.860 1.00 0.79 C ATOM 990 CD GLN A 66 -9.290 5.845 -7.790 1.00 1.10 C ATOM 991 OE1 GLN A 66 -8.149 6.300 -7.883 1.00 2.03 O ATOM 992 NE2 GLN A 66 -10.315 6.332 -8.480 1.00 1.31 N ATOM 0 H GLN A 66 -8.961 2.210 -5.009 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.560 3.150 -7.338 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -8.828 4.355 -4.875 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -7.792 5.342 -5.887 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -9.756 3.772 -7.444 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -10.510 4.871 -6.307 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -11.243 5.923 -8.371 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -10.174 7.115 -9.119 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.116 3.475 -4.371 1.00 0.26 N ATOM 1002 CA ALA A 67 -4.828 3.599 -3.703 1.00 0.27 C ATOM 1003 C ALA A 67 -3.911 2.454 -4.108 1.00 0.26 C ATOM 1004 O ALA A 67 -2.688 2.594 -4.108 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.022 3.595 -2.190 1.00 0.29 C ATOM 0 H ALA A 67 -6.919 3.487 -3.742 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.369 4.541 -4.002 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.053 3.688 -1.699 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.657 4.433 -1.902 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.495 2.661 -1.886 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.511 1.320 -4.458 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.750 0.148 -4.869 1.00 0.28 C ATOM 1013 C LYS A 68 -3.122 0.381 -6.238 1.00 0.31 C ATOM 1014 O LYS A 68 -1.927 0.658 -6.343 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.663 -1.077 -4.909 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.924 -2.320 -5.398 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.813 -3.193 -6.274 1.00 0.43 C ATOM 1018 CE LYS A 68 -4.016 -4.323 -6.911 1.00 0.57 C ATOM 1019 NZ LYS A 68 -4.753 -4.935 -8.051 1.00 0.88 N ATOM 0 H LYS A 68 -5.523 1.189 -4.465 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.953 -0.028 -4.146 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -5.066 -1.262 -3.913 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.511 -0.877 -5.564 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -3.040 -2.020 -5.961 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.576 -2.898 -4.542 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.623 -3.608 -5.675 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -5.272 -2.584 -7.053 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -3.056 -3.941 -7.260 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -3.803 -5.086 -6.163 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -4.197 -5.723 -8.441 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -5.672 -5.290 -7.719 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -4.905 -4.220 -8.790 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.935 0.274 -7.285 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.462 0.478 -8.646 1.00 0.43 C ATOM 1035 C ARG A 69 -2.689 1.787 -8.750 1.00 0.42 C ATOM 1036 O ARG A 69 -1.776 1.918 -9.567 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.648 0.497 -9.605 1.00 0.50 C ATOM 1038 CG ARG A 69 -4.217 0.187 -11.032 1.00 1.02 C ATOM 1039 CD ARG A 69 -5.000 1.014 -12.048 1.00 1.36 C ATOM 1040 NE ARG A 69 -5.989 0.183 -12.724 1.00 1.81 N ATOM 1041 CZ ARG A 69 -6.190 0.261 -14.035 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -6.784 1.328 -14.554 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -5.798 -0.725 -14.828 1.00 2.98 N ATOM 0 H ARG A 69 -4.927 0.046 -7.214 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.795 -0.342 -8.913 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -5.390 -0.233 -9.282 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -5.127 1.475 -9.573 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -3.151 0.388 -11.142 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -4.364 -0.874 -11.235 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -5.496 1.845 -11.546 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -4.317 1.445 -12.780 1.00 1.36 H new ATOM 0 HE ARG A 69 -6.542 -0.476 -12.176 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -7.087 2.089 -13.946 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -6.938 1.387 -15.561 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -5.341 -1.546 -14.432 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -5.953 -0.663 -15.834 1.00 2.98 H new ATOM 1057 N GLU A 70 -3.057 2.752 -7.914 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.399 4.051 -7.904 1.00 0.43 C ATOM 1059 C GLU A 70 -0.967 3.917 -7.402 1.00 0.44 C ATOM 1060 O GLU A 70 -0.048 4.531 -7.945 1.00 0.56 O ATOM 1061 CB GLU A 70 -3.171 5.020 -7.014 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.593 6.431 -7.083 1.00 0.59 C ATOM 1063 CD GLU A 70 -3.496 7.332 -7.914 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -4.013 6.863 -8.949 1.00 1.38 O ATOM 1065 OE2 GLU A 70 -3.684 8.505 -7.529 1.00 1.50 O ATOM 0 H GLU A 70 -3.810 2.657 -7.233 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.379 4.439 -8.923 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -4.217 5.040 -7.319 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -3.146 4.666 -5.983 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.488 6.838 -6.077 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.595 6.402 -7.521 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.784 3.110 -6.362 1.00 0.40 N ATOM 1073 CA LEU A 71 0.537 2.891 -5.785 1.00 0.47 C ATOM 1074 C LEU A 71 1.474 2.285 -6.821 1.00 0.52 C ATOM 1075 O LEU A 71 2.608 2.735 -6.985 1.00 0.60 O ATOM 1076 CB LEU A 71 0.432 1.967 -4.576 1.00 0.51 C ATOM 1077 CG LEU A 71 0.020 2.731 -3.319 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.619 1.791 -2.302 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.217 3.453 -2.709 1.00 1.15 C ATOM 0 H LEU A 71 -1.535 2.596 -5.901 1.00 0.40 H new ATOM 0 HA LEU A 71 0.942 3.852 -5.466 1.00 0.47 H new ATOM 0 HB2 LEU A 71 -0.295 1.181 -4.780 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.391 1.477 -4.407 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.720 3.480 -3.603 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -0.905 2.355 -1.414 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.504 1.329 -2.739 1.00 1.08 H new ATOM 0 HD13 LEU A 71 0.095 1.016 -2.024 1.00 1.08 H new ATOM 0 HD21 LEU A 71 0.901 3.991 -1.815 1.00 1.15 H new ATOM 0 HD22 LEU A 71 1.984 2.725 -2.443 1.00 1.15 H new ATOM 0 HD23 LEU A 71 1.623 4.160 -3.433 1.00 1.15 H new ATOM 1091 N LEU A 72 0.992 1.262 -7.519 1.00 0.52 N ATOM 1092 CA LEU A 72 1.785 0.592 -8.542 1.00 0.63 C ATOM 1093 C LEU A 72 1.931 1.477 -9.774 1.00 0.67 C ATOM 1094 O LEU A 72 2.887 1.341 -10.538 1.00 0.83 O ATOM 1095 CB LEU A 72 1.125 -0.728 -8.930 1.00 0.66 C ATOM 1096 CG LEU A 72 1.883 -1.923 -8.360 1.00 0.88 C ATOM 1097 CD1 LEU A 72 1.044 -3.193 -8.464 1.00 1.99 C ATOM 1098 CD2 LEU A 72 3.223 -2.100 -9.068 1.00 1.04 C ATOM 0 H LEU A 72 0.055 0.879 -7.394 1.00 0.52 H new ATOM 0 HA LEU A 72 2.777 0.394 -8.136 1.00 0.63 H new ATOM 0 HB2 LEU A 72 0.097 -0.742 -8.568 1.00 0.66 H new ATOM 0 HB3 LEU A 72 1.081 -0.808 -10.016 1.00 0.66 H new ATOM 0 HG LEU A 72 2.079 -1.731 -7.305 1.00 0.88 H new ATOM 0 HD11 LEU A 72 1.603 -4.033 -8.052 1.00 1.99 H new ATOM 0 HD12 LEU A 72 0.118 -3.064 -7.904 1.00 1.99 H new ATOM 0 HD13 LEU A 72 0.811 -3.390 -9.510 1.00 1.99 H new ATOM 0 HD21 LEU A 72 3.747 -2.958 -8.646 1.00 1.04 H new ATOM 0 HD22 LEU A 72 3.053 -2.266 -10.132 1.00 1.04 H new ATOM 0 HD23 LEU A 72 3.827 -1.203 -8.933 1.00 1.04 H new ATOM 1110 N GLU A 73 0.975 2.382 -9.965 1.00 0.64 N ATOM 1111 CA GLU A 73 0.993 3.289 -11.107 1.00 0.74 C ATOM 1112 C GLU A 73 1.994 4.416 -10.884 1.00 0.71 C ATOM 1113 O GLU A 73 3.034 4.474 -11.538 1.00 0.88 O ATOM 1114 CB GLU A 73 -0.399 3.870 -11.330 1.00 0.82 C ATOM 1115 CG GLU A 73 -1.268 2.940 -12.174 1.00 1.00 C ATOM 1116 CD GLU A 73 -0.777 2.921 -13.616 1.00 1.41 C ATOM 1117 OE1 GLU A 73 -0.175 3.924 -14.053 1.00 2.05 O ATOM 1118 OE2 GLU A 73 -0.995 1.903 -14.306 1.00 2.01 O ATOM 0 H GLU A 73 0.177 2.506 -9.342 1.00 0.64 H new ATOM 0 HA GLU A 73 1.296 2.726 -11.990 1.00 0.74 H new ATOM 0 HB2 GLU A 73 -0.880 4.044 -10.367 1.00 0.82 H new ATOM 0 HB3 GLU A 73 -0.315 4.838 -11.824 1.00 0.82 H new ATOM 0 HG2 GLU A 73 -1.242 1.932 -11.760 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -2.306 3.271 -12.140 1.00 1.00 H new ATOM 1125 N LEU A 74 1.671 5.314 -9.958 1.00 0.64 N ATOM 1126 CA LEU A 74 2.540 6.443 -9.650 1.00 0.71 C ATOM 1127 C LEU A 74 3.512 6.081 -8.534 1.00 0.82 C ATOM 1128 O LEU A 74 4.706 6.372 -8.618 1.00 1.13 O ATOM 1129 CB LEU A 74 1.703 7.651 -9.237 1.00 0.85 C ATOM 1130 CG LEU A 74 0.468 7.811 -10.121 1.00 0.99 C ATOM 1131 CD1 LEU A 74 -0.483 8.851 -9.535 1.00 1.19 C ATOM 1132 CD2 LEU A 74 0.867 8.188 -11.545 1.00 1.32 C ATOM 0 H LEU A 74 0.813 5.281 -9.408 1.00 0.64 H new ATOM 0 HA LEU A 74 3.112 6.692 -10.544 1.00 0.71 H new ATOM 0 HB2 LEU A 74 1.395 7.542 -8.197 1.00 0.85 H new ATOM 0 HB3 LEU A 74 2.312 8.553 -9.296 1.00 0.85 H new ATOM 0 HG LEU A 74 -0.052 6.853 -10.156 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -1.356 8.950 -10.180 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -0.800 8.535 -8.541 1.00 1.19 H new ATOM 0 HD13 LEU A 74 0.027 9.812 -9.465 1.00 1.19 H new ATOM 0 HD21 LEU A 74 -0.028 8.297 -12.157 1.00 1.32 H new ATOM 0 HD22 LEU A 74 1.414 9.131 -11.532 1.00 1.32 H new ATOM 0 HD23 LEU A 74 1.500 7.406 -11.964 1.00 1.32 H new ATOM 1144 N ALA A 75 2.994 5.446 -7.487 1.00 0.78 N ATOM 1145 CA ALA A 75 3.815 5.044 -6.351 1.00 0.99 C ATOM 1146 C ALA A 75 4.286 6.266 -5.573 1.00 1.70 C ATOM 1147 O ALA A 75 5.358 6.254 -4.967 1.00 2.16 O ATOM 1148 CB ALA A 75 5.019 4.241 -6.834 1.00 1.14 C ATOM 0 H ALA A 75 2.008 5.199 -7.402 1.00 0.78 H new ATOM 0 HA ALA A 75 3.211 4.422 -5.691 1.00 0.99 H new ATOM 0 HB1 ALA A 75 5.626 3.945 -5.978 1.00 1.14 H new ATOM 0 HB2 ALA A 75 4.675 3.350 -7.360 1.00 1.14 H new ATOM 0 HB3 ALA A 75 5.617 4.853 -7.509 1.00 1.14 H new