USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 584 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 ASN :FLIP amide:sc= 0.208 F(o=-2.9!,f=0.56) USER MOD Set 1.2: A 27 SER OG : rot -100:sc= 0.351 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 15 HIS : +bothHN:sc= 1.09 K(o=1.1,f=-11!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 155:sc= 1.24 (180deg=0.342) USER MOD Single : A 29 LYS NZ :NH3+ 168:sc= 2.24 (180deg=2.17) USER MOD Single : A 38 LYS NZ :NH3+ -137:sc= 0.0218 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.0728 F(o=-1.5!,f=-0.073) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00108 USER MOD Single : A 51 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0117) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 170:sc=-0.00523 (180deg=-0.125) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= -0.137 USER MOD Single : A 71 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.36) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.342 F(o=-1.2,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 -8.756 -5.932 -9.199 1.00 20.41 N ATOM 35 CA VAL A 3 -8.169 -5.556 -7.921 1.00 10.22 C ATOM 36 C VAL A 3 -7.190 -6.613 -7.406 1.00 3.50 C ATOM 37 O VAL A 3 -6.205 -6.276 -6.755 1.00 32.13 O ATOM 38 CB VAL A 3 -9.254 -5.270 -6.858 1.00 54.20 C ATOM 39 CG1 VAL A 3 -9.993 -6.536 -6.455 1.00 43.22 C ATOM 40 CG2 VAL A 3 -8.645 -4.582 -5.645 1.00 35.42 C ATOM 0 HA VAL A 3 -7.609 -4.637 -8.097 1.00 10.22 H new ATOM 0 HB VAL A 3 -9.987 -4.597 -7.303 1.00 54.20 H new ATOM 0 HG11 VAL A 3 -10.747 -6.294 -5.706 1.00 43.22 H new ATOM 0 HG12 VAL A 3 -10.476 -6.969 -7.331 1.00 43.22 H new ATOM 0 HG13 VAL A 3 -9.286 -7.253 -6.039 1.00 43.22 H new ATOM 0 HG21 VAL A 3 -9.424 -4.389 -4.907 1.00 35.42 H new ATOM 0 HG22 VAL A 3 -7.882 -5.225 -5.207 1.00 35.42 H new ATOM 0 HG23 VAL A 3 -8.193 -3.639 -5.951 1.00 35.42 H new ATOM 50 N ASP A 4 -7.443 -7.879 -7.721 1.00 13.13 N ATOM 51 CA ASP A 4 -6.558 -8.962 -7.285 1.00 71.14 C ATOM 52 C ASP A 4 -5.139 -8.747 -7.797 1.00 12.25 C ATOM 53 O ASP A 4 -4.163 -9.016 -7.097 1.00 11.45 O ATOM 54 CB ASP A 4 -7.076 -10.325 -7.751 1.00 64.44 C ATOM 55 CG ASP A 4 -8.220 -10.840 -6.902 1.00 5.41 C ATOM 56 OD1 ASP A 4 -7.963 -11.360 -5.795 1.00 11.31 O ATOM 57 OD2 ASP A 4 -9.384 -10.745 -7.338 1.00 12.01 O ATOM 0 H ASP A 4 -8.246 -8.183 -8.272 1.00 13.13 H new ATOM 0 HA ASP A 4 -6.545 -8.950 -6.195 1.00 71.14 H new ATOM 0 HB2 ASP A 4 -7.405 -10.249 -8.787 1.00 64.44 H new ATOM 0 HB3 ASP A 4 -6.259 -11.046 -7.728 1.00 64.44 H new ATOM 62 N HIS A 5 -5.032 -8.235 -9.013 1.00 74.42 N ATOM 63 CA HIS A 5 -3.735 -7.955 -9.610 1.00 22.55 C ATOM 64 C HIS A 5 -3.133 -6.698 -8.991 1.00 72.03 C ATOM 65 O HIS A 5 -1.921 -6.594 -8.819 1.00 51.11 O ATOM 66 CB HIS A 5 -3.876 -7.788 -11.128 1.00 54.01 C ATOM 67 CG HIS A 5 -2.572 -7.586 -11.845 1.00 24.13 C ATOM 68 ND1 HIS A 5 -2.198 -6.388 -12.418 1.00 31.24 N ATOM 69 CD2 HIS A 5 -1.554 -8.447 -12.085 1.00 42.31 C ATOM 70 CE1 HIS A 5 -1.010 -6.523 -12.980 1.00 43.52 C ATOM 71 NE2 HIS A 5 -0.598 -7.761 -12.790 1.00 53.13 N ATOM 0 H HIS A 5 -5.829 -8.005 -9.607 1.00 74.42 H new ATOM 0 HA HIS A 5 -3.068 -8.794 -9.413 1.00 22.55 H new ATOM 0 HB2 HIS A 5 -4.370 -8.670 -11.536 1.00 54.01 H new ATOM 0 HB3 HIS A 5 -4.526 -6.937 -11.331 1.00 54.01 H new ATOM 0 HD2 HIS A 5 -1.504 -9.481 -11.778 1.00 42.31 H new ATOM 0 HE1 HIS A 5 -0.468 -5.751 -13.506 1.00 43.52 H new ATOM 0 HE2 HIS A 5 0.289 -8.146 -13.115 1.00 53.13 H new ATOM 80 N GLU A 6 -3.999 -5.758 -8.646 1.00 4.13 N ATOM 81 CA GLU A 6 -3.577 -4.480 -8.090 1.00 1.54 C ATOM 82 C GLU A 6 -3.079 -4.632 -6.652 1.00 73.31 C ATOM 83 O GLU A 6 -2.160 -3.930 -6.233 1.00 32.31 O ATOM 84 CB GLU A 6 -4.738 -3.489 -8.169 1.00 44.11 C ATOM 85 CG GLU A 6 -5.162 -3.211 -9.603 1.00 43.35 C ATOM 86 CD GLU A 6 -6.440 -2.408 -9.719 1.00 70.01 C ATOM 87 OE1 GLU A 6 -6.714 -1.580 -8.831 1.00 12.31 O ATOM 88 OE2 GLU A 6 -7.169 -2.601 -10.723 1.00 11.41 O ATOM 0 H GLU A 6 -5.010 -5.858 -8.742 1.00 4.13 H new ATOM 0 HA GLU A 6 -2.740 -4.100 -8.676 1.00 1.54 H new ATOM 0 HB2 GLU A 6 -5.588 -3.883 -7.611 1.00 44.11 H new ATOM 0 HB3 GLU A 6 -4.448 -2.554 -7.690 1.00 44.11 H new ATOM 0 HG2 GLU A 6 -4.360 -2.675 -10.111 1.00 43.35 H new ATOM 0 HG3 GLU A 6 -5.292 -4.160 -10.124 1.00 43.35 H new ATOM 95 N VAL A 7 -3.671 -5.559 -5.906 1.00 44.04 N ATOM 96 CA VAL A 7 -3.233 -5.834 -4.543 1.00 45.33 C ATOM 97 C VAL A 7 -1.827 -6.430 -4.541 1.00 1.02 C ATOM 98 O VAL A 7 -0.957 -5.984 -3.795 1.00 31.11 O ATOM 99 CB VAL A 7 -4.204 -6.785 -3.805 1.00 32.40 C ATOM 100 CG1 VAL A 7 -3.729 -7.045 -2.386 1.00 5.15 C ATOM 101 CG2 VAL A 7 -5.609 -6.209 -3.783 1.00 0.44 C ATOM 0 H VAL A 7 -4.454 -6.131 -6.222 1.00 44.04 H new ATOM 0 HA VAL A 7 -3.224 -4.883 -4.011 1.00 45.33 H new ATOM 0 HB VAL A 7 -4.222 -7.731 -4.347 1.00 32.40 H new ATOM 0 HG11 VAL A 7 -4.427 -7.716 -1.886 1.00 5.15 H new ATOM 0 HG12 VAL A 7 -2.740 -7.503 -2.411 1.00 5.15 H new ATOM 0 HG13 VAL A 7 -3.678 -6.102 -1.841 1.00 5.15 H new ATOM 0 HG21 VAL A 7 -6.275 -6.894 -3.259 1.00 0.44 H new ATOM 0 HG22 VAL A 7 -5.600 -5.248 -3.269 1.00 0.44 H new ATOM 0 HG23 VAL A 7 -5.962 -6.071 -4.805 1.00 0.44 H new ATOM 111 N ASN A 8 -1.606 -7.435 -5.388 1.00 44.51 N ATOM 112 CA ASN A 8 -0.274 -8.025 -5.557 1.00 4.43 C ATOM 113 C ASN A 8 0.721 -6.970 -6.020 1.00 20.34 C ATOM 114 O ASN A 8 1.864 -6.932 -5.558 1.00 31.33 O ATOM 115 CB ASN A 8 -0.313 -9.163 -6.580 1.00 63.54 C ATOM 116 CG ASN A 8 -0.903 -10.446 -6.030 1.00 1.30 C ATOM 117 OD1 ASN A 8 -1.712 -10.435 -5.104 1.00 33.23 O ATOM 118 ND2 ASN A 8 -0.507 -11.566 -6.616 1.00 62.44 N ATOM 0 H ASN A 8 -2.330 -7.859 -5.968 1.00 44.51 H new ATOM 0 HA ASN A 8 0.041 -8.421 -4.592 1.00 4.43 H new ATOM 0 HB2 ASN A 8 -0.896 -8.845 -7.444 1.00 63.54 H new ATOM 0 HB3 ASN A 8 0.699 -9.359 -6.933 1.00 63.54 H new ATOM 0 HD21 ASN A 8 -0.875 -12.464 -6.302 1.00 62.44 H new ATOM 0 HD22 ASN A 8 0.166 -11.531 -7.381 1.00 62.44 H new ATOM 125 N LEU A 9 0.269 -6.120 -6.935 1.00 21.34 N ATOM 126 CA LEU A 9 1.068 -5.018 -7.436 1.00 64.14 C ATOM 127 C LEU A 9 1.489 -4.112 -6.284 1.00 3.14 C ATOM 128 O LEU A 9 2.658 -3.749 -6.161 1.00 21.21 O ATOM 129 CB LEU A 9 0.251 -4.235 -8.463 1.00 73.13 C ATOM 130 CG LEU A 9 0.939 -3.017 -9.068 1.00 63.30 C ATOM 131 CD1 LEU A 9 2.126 -3.431 -9.923 1.00 24.02 C ATOM 132 CD2 LEU A 9 -0.057 -2.209 -9.883 1.00 12.11 C ATOM 0 H LEU A 9 -0.662 -6.179 -7.348 1.00 21.34 H new ATOM 0 HA LEU A 9 1.969 -5.404 -7.913 1.00 64.14 H new ATOM 0 HB2 LEU A 9 -0.026 -4.912 -9.272 1.00 73.13 H new ATOM 0 HB3 LEU A 9 -0.675 -3.908 -7.990 1.00 73.13 H new ATOM 0 HG LEU A 9 1.316 -2.393 -8.257 1.00 63.30 H new ATOM 0 HD11 LEU A 9 2.599 -2.543 -10.343 1.00 24.02 H new ATOM 0 HD12 LEU A 9 2.847 -3.970 -9.308 1.00 24.02 H new ATOM 0 HD13 LEU A 9 1.784 -4.077 -10.732 1.00 24.02 H new ATOM 0 HD21 LEU A 9 0.443 -1.341 -10.312 1.00 12.11 H new ATOM 0 HD22 LEU A 9 -0.459 -2.829 -10.685 1.00 12.11 H new ATOM 0 HD23 LEU A 9 -0.871 -1.877 -9.238 1.00 12.11 H new ATOM 144 N LEU A 10 0.522 -3.781 -5.433 1.00 74.21 N ATOM 145 CA LEU A 10 0.764 -2.967 -4.247 1.00 15.33 C ATOM 146 C LEU A 10 1.836 -3.605 -3.367 1.00 21.43 C ATOM 147 O LEU A 10 2.771 -2.938 -2.927 1.00 64.02 O ATOM 148 CB LEU A 10 -0.542 -2.808 -3.460 1.00 22.11 C ATOM 149 CG LEU A 10 -0.475 -1.923 -2.214 1.00 4.22 C ATOM 150 CD1 LEU A 10 -0.138 -0.486 -2.589 1.00 24.12 C ATOM 151 CD2 LEU A 10 -1.792 -1.984 -1.455 1.00 62.33 C ATOM 0 H LEU A 10 -0.450 -4.069 -5.546 1.00 74.21 H new ATOM 0 HA LEU A 10 1.119 -1.985 -4.559 1.00 15.33 H new ATOM 0 HB2 LEU A 10 -1.299 -2.400 -4.130 1.00 22.11 H new ATOM 0 HB3 LEU A 10 -0.884 -3.798 -3.159 1.00 22.11 H new ATOM 0 HG LEU A 10 0.318 -2.297 -1.567 1.00 4.22 H new ATOM 0 HD11 LEU A 10 -0.096 0.125 -1.687 1.00 24.12 H new ATOM 0 HD12 LEU A 10 0.829 -0.458 -3.092 1.00 24.12 H new ATOM 0 HD13 LEU A 10 -0.906 -0.095 -3.257 1.00 24.12 H new ATOM 0 HD21 LEU A 10 -1.732 -1.350 -0.570 1.00 62.33 H new ATOM 0 HD22 LEU A 10 -2.599 -1.634 -2.098 1.00 62.33 H new ATOM 0 HD23 LEU A 10 -1.990 -3.012 -1.152 1.00 62.33 H new ATOM 163 N VAL A 11 1.695 -4.906 -3.134 1.00 54.54 N ATOM 164 CA VAL A 11 2.648 -5.671 -2.335 1.00 22.33 C ATOM 165 C VAL A 11 4.069 -5.548 -2.890 1.00 1.45 C ATOM 166 O VAL A 11 5.024 -5.313 -2.144 1.00 1.44 O ATOM 167 CB VAL A 11 2.234 -7.160 -2.284 1.00 51.20 C ATOM 168 CG1 VAL A 11 3.281 -8.007 -1.584 1.00 1.31 C ATOM 169 CG2 VAL A 11 0.887 -7.314 -1.593 1.00 64.05 C ATOM 0 H VAL A 11 0.918 -5.460 -3.493 1.00 54.54 H new ATOM 0 HA VAL A 11 2.639 -5.258 -1.326 1.00 22.33 H new ATOM 0 HB VAL A 11 2.150 -7.514 -3.312 1.00 51.20 H new ATOM 0 HG11 VAL A 11 2.956 -9.047 -1.567 1.00 1.31 H new ATOM 0 HG12 VAL A 11 4.227 -7.931 -2.119 1.00 1.31 H new ATOM 0 HG13 VAL A 11 3.413 -7.652 -0.562 1.00 1.31 H new ATOM 0 HG21 VAL A 11 0.611 -8.368 -1.566 1.00 64.05 H new ATOM 0 HG22 VAL A 11 0.954 -6.930 -0.575 1.00 64.05 H new ATOM 0 HG23 VAL A 11 0.130 -6.755 -2.143 1.00 64.05 H new ATOM 179 N GLU A 12 4.200 -5.691 -4.200 1.00 51.21 N ATOM 180 CA GLU A 12 5.500 -5.610 -4.853 1.00 0.12 C ATOM 181 C GLU A 12 6.074 -4.195 -4.785 1.00 62.44 C ATOM 182 O GLU A 12 7.275 -4.016 -4.575 1.00 1.34 O ATOM 183 CB GLU A 12 5.391 -6.080 -6.301 1.00 45.34 C ATOM 184 CG GLU A 12 5.346 -7.593 -6.448 1.00 53.14 C ATOM 185 CD GLU A 12 6.695 -8.240 -6.196 1.00 14.15 C ATOM 186 OE1 GLU A 12 7.050 -8.466 -5.020 1.00 42.53 O ATOM 187 OE2 GLU A 12 7.415 -8.511 -7.177 1.00 42.42 O ATOM 0 H GLU A 12 3.420 -5.864 -4.834 1.00 51.21 H new ATOM 0 HA GLU A 12 6.187 -6.267 -4.320 1.00 0.12 H new ATOM 0 HB2 GLU A 12 4.492 -5.653 -6.746 1.00 45.34 H new ATOM 0 HB3 GLU A 12 6.240 -5.694 -6.865 1.00 45.34 H new ATOM 0 HG2 GLU A 12 4.615 -8.001 -5.751 1.00 53.14 H new ATOM 0 HG3 GLU A 12 5.006 -7.848 -7.452 1.00 53.14 H new ATOM 194 N GLU A 13 5.215 -3.190 -4.936 1.00 51.13 N ATOM 195 CA GLU A 13 5.656 -1.803 -4.840 1.00 73.34 C ATOM 196 C GLU A 13 6.175 -1.510 -3.434 1.00 5.31 C ATOM 197 O GLU A 13 7.203 -0.854 -3.265 1.00 63.22 O ATOM 198 CB GLU A 13 4.525 -0.834 -5.207 1.00 12.30 C ATOM 199 CG GLU A 13 4.028 -0.977 -6.641 1.00 22.43 C ATOM 200 CD GLU A 13 5.151 -0.982 -7.662 1.00 53.40 C ATOM 201 OE1 GLU A 13 6.158 -0.274 -7.456 1.00 65.45 O ATOM 202 OE2 GLU A 13 5.044 -1.716 -8.666 1.00 4.44 O ATOM 0 H GLU A 13 4.219 -3.309 -5.123 1.00 51.13 H new ATOM 0 HA GLU A 13 6.467 -1.655 -5.553 1.00 73.34 H new ATOM 0 HB2 GLU A 13 3.689 -0.993 -4.526 1.00 12.30 H new ATOM 0 HB3 GLU A 13 4.872 0.188 -5.054 1.00 12.30 H new ATOM 0 HG2 GLU A 13 3.459 -1.902 -6.731 1.00 22.43 H new ATOM 0 HG3 GLU A 13 3.344 -0.158 -6.866 1.00 22.43 H new ATOM 209 N ILE A 14 5.474 -2.032 -2.432 1.00 54.33 N ATOM 210 CA ILE A 14 5.893 -1.887 -1.042 1.00 52.30 C ATOM 211 C ILE A 14 7.232 -2.586 -0.817 1.00 72.32 C ATOM 212 O ILE A 14 8.062 -2.126 -0.036 1.00 62.14 O ATOM 213 CB ILE A 14 4.830 -2.454 -0.070 1.00 43.40 C ATOM 214 CG1 ILE A 14 3.509 -1.698 -0.234 1.00 44.04 C ATOM 215 CG2 ILE A 14 5.312 -2.375 1.374 1.00 23.55 C ATOM 216 CD1 ILE A 14 2.377 -2.256 0.601 1.00 44.13 C ATOM 0 H ILE A 14 4.611 -2.561 -2.557 1.00 54.33 H new ATOM 0 HA ILE A 14 6.005 -0.822 -0.837 1.00 52.30 H new ATOM 0 HB ILE A 14 4.669 -3.504 -0.314 1.00 43.40 H new ATOM 0 HG12 ILE A 14 3.664 -0.653 0.033 1.00 44.04 H new ATOM 0 HG13 ILE A 14 3.218 -1.719 -1.284 1.00 44.04 H new ATOM 0 HG21 ILE A 14 4.546 -2.780 2.036 1.00 23.55 H new ATOM 0 HG22 ILE A 14 6.229 -2.954 1.484 1.00 23.55 H new ATOM 0 HG23 ILE A 14 5.506 -1.335 1.637 1.00 23.55 H new ATOM 0 HD11 ILE A 14 1.475 -1.668 0.431 1.00 44.13 H new ATOM 0 HD12 ILE A 14 2.193 -3.293 0.318 1.00 44.13 H new ATOM 0 HD13 ILE A 14 2.646 -2.210 1.656 1.00 44.13 H new ATOM 228 N HIS A 15 7.441 -3.689 -1.527 1.00 55.10 N ATOM 229 CA HIS A 15 8.694 -4.432 -1.435 1.00 62.02 C ATOM 230 C HIS A 15 9.885 -3.567 -1.844 1.00 14.13 C ATOM 231 O HIS A 15 10.902 -3.532 -1.150 1.00 13.33 O ATOM 232 CB HIS A 15 8.656 -5.689 -2.315 1.00 70.25 C ATOM 233 CG HIS A 15 7.866 -6.829 -1.746 1.00 4.54 C ATOM 234 ND1 HIS A 15 7.380 -7.863 -2.514 1.00 41.41 N ATOM 235 CD2 HIS A 15 7.517 -7.120 -0.473 1.00 13.54 C ATOM 236 CE1 HIS A 15 6.771 -8.736 -1.740 1.00 32.40 C ATOM 237 NE2 HIS A 15 6.840 -8.312 -0.495 1.00 41.02 N ATOM 0 H HIS A 15 6.760 -4.089 -2.172 1.00 55.10 H new ATOM 0 HA HIS A 15 8.813 -4.727 -0.393 1.00 62.02 H new ATOM 0 HB2 HIS A 15 8.237 -5.424 -3.286 1.00 70.25 H new ATOM 0 HB3 HIS A 15 9.678 -6.025 -2.490 1.00 70.25 H new ATOM 0 HD1 HIS A 15 7.477 -7.941 -3.526 1.00 41.41 H new ATOM 0 HD2 HIS A 15 7.732 -6.523 0.401 1.00 13.54 H new ATOM 0 HE1 HIS A 15 6.295 -9.647 -2.070 1.00 32.40 H new ATOM 0 HE2 HIS A 15 6.454 -8.791 0.318 1.00 41.02 H new ATOM 246 N ARG A 16 9.759 -2.857 -2.960 1.00 72.14 N ATOM 247 CA ARG A 16 10.893 -2.127 -3.512 1.00 51.23 C ATOM 248 C ARG A 16 11.029 -0.725 -2.921 1.00 23.41 C ATOM 249 O ARG A 16 12.130 -0.179 -2.870 1.00 32.43 O ATOM 250 CB ARG A 16 10.813 -2.073 -5.049 1.00 74.52 C ATOM 251 CG ARG A 16 9.530 -1.474 -5.616 1.00 0.30 C ATOM 252 CD ARG A 16 9.630 0.037 -5.758 1.00 42.21 C ATOM 253 NE ARG A 16 8.458 0.611 -6.413 1.00 14.12 N ATOM 254 CZ ARG A 16 8.386 1.862 -6.852 1.00 65.45 C ATOM 255 NH1 ARG A 16 9.434 2.668 -6.744 1.00 4.45 N ATOM 256 NH2 ARG A 16 7.270 2.294 -7.419 1.00 24.02 N ATOM 0 H ARG A 16 8.894 -2.772 -3.494 1.00 72.14 H new ATOM 0 HA ARG A 16 11.792 -2.675 -3.230 1.00 51.23 H new ATOM 0 HB2 ARG A 16 11.659 -1.494 -5.420 1.00 74.52 H new ATOM 0 HB3 ARG A 16 10.924 -3.085 -5.438 1.00 74.52 H new ATOM 0 HG2 ARG A 16 9.320 -1.918 -6.589 1.00 0.30 H new ATOM 0 HG3 ARG A 16 8.693 -1.724 -4.964 1.00 0.30 H new ATOM 0 HD2 ARG A 16 9.748 0.485 -4.772 1.00 42.21 H new ATOM 0 HD3 ARG A 16 10.523 0.288 -6.331 1.00 42.21 H new ATOM 0 HE ARG A 16 7.642 0.012 -6.542 1.00 14.12 H new ATOM 0 HH11 ARG A 16 10.298 2.327 -6.323 1.00 4.45 H new ATOM 0 HH12 ARG A 16 9.376 3.629 -7.082 1.00 4.45 H new ATOM 0 HH21 ARG A 16 6.472 1.667 -7.517 1.00 24.02 H new ATOM 0 HH22 ARG A 16 7.209 3.254 -7.758 1.00 24.02 H new ATOM 270 N LEU A 17 9.924 -0.139 -2.478 1.00 45.02 N ATOM 271 CA LEU A 17 9.943 1.240 -2.011 1.00 21.24 C ATOM 272 C LEU A 17 9.883 1.329 -0.493 1.00 43.12 C ATOM 273 O LEU A 17 9.942 2.422 0.072 1.00 51.45 O ATOM 274 CB LEU A 17 8.765 1.993 -2.617 1.00 52.43 C ATOM 275 CG LEU A 17 9.047 3.438 -2.997 1.00 23.41 C ATOM 276 CD1 LEU A 17 10.331 3.523 -3.805 1.00 2.44 C ATOM 277 CD2 LEU A 17 7.873 3.982 -3.789 1.00 61.04 C ATOM 0 H LEU A 17 9.011 -0.593 -2.432 1.00 45.02 H new ATOM 0 HA LEU A 17 10.884 1.689 -2.329 1.00 21.24 H new ATOM 0 HB2 LEU A 17 8.432 1.459 -3.507 1.00 52.43 H new ATOM 0 HB3 LEU A 17 7.939 1.976 -1.906 1.00 52.43 H new ATOM 0 HG LEU A 17 9.175 4.038 -2.096 1.00 23.41 H new ATOM 0 HD11 LEU A 17 10.524 4.562 -4.072 1.00 2.44 H new ATOM 0 HD12 LEU A 17 11.161 3.141 -3.211 1.00 2.44 H new ATOM 0 HD13 LEU A 17 10.230 2.928 -4.712 1.00 2.44 H new ATOM 0 HD21 LEU A 17 8.069 5.018 -4.065 1.00 61.04 H new ATOM 0 HD22 LEU A 17 7.736 3.386 -4.691 1.00 61.04 H new ATOM 0 HD23 LEU A 17 6.970 3.933 -3.181 1.00 61.04 H new ATOM 289 N GLY A 18 9.767 0.191 0.165 1.00 22.44 N ATOM 290 CA GLY A 18 9.578 0.192 1.595 1.00 73.15 C ATOM 291 C GLY A 18 10.820 -0.198 2.368 1.00 65.42 C ATOM 292 O GLY A 18 11.770 -0.750 1.812 1.00 22.25 O ATOM 0 H GLY A 18 9.800 -0.733 -0.265 1.00 22.44 H new ATOM 0 HA2 GLY A 18 9.260 1.186 1.911 1.00 73.15 H new ATOM 0 HA3 GLY A 18 8.771 -0.496 1.848 1.00 73.15 H new ATOM 296 N SER A 19 10.798 0.094 3.657 1.00 61.11 N ATOM 297 CA SER A 19 11.876 -0.269 4.565 1.00 30.24 C ATOM 298 C SER A 19 11.307 -1.143 5.679 1.00 23.13 C ATOM 299 O SER A 19 10.109 -1.085 5.959 1.00 12.32 O ATOM 300 CB SER A 19 12.536 0.993 5.138 1.00 45.04 C ATOM 301 OG SER A 19 13.625 0.673 5.989 1.00 22.21 O ATOM 0 H SER A 19 10.029 0.592 4.107 1.00 61.11 H new ATOM 0 HA SER A 19 12.642 -0.828 4.028 1.00 30.24 H new ATOM 0 HB2 SER A 19 12.885 1.624 4.321 1.00 45.04 H new ATOM 0 HB3 SER A 19 11.797 1.570 5.693 1.00 45.04 H new ATOM 0 HG SER A 19 14.023 1.499 6.335 1.00 22.21 H new ATOM 307 N LYS A 20 12.148 -1.960 6.302 1.00 61.22 N ATOM 308 CA LYS A 20 11.677 -2.917 7.295 1.00 13.55 C ATOM 309 C LYS A 20 11.546 -2.294 8.677 1.00 71.23 C ATOM 310 O LYS A 20 12.413 -1.542 9.128 1.00 64.51 O ATOM 311 CB LYS A 20 12.595 -4.140 7.351 1.00 75.35 C ATOM 312 CG LYS A 20 12.551 -4.964 6.081 1.00 4.32 C ATOM 313 CD LYS A 20 13.467 -6.171 6.150 1.00 15.41 C ATOM 314 CE LYS A 20 13.509 -6.900 4.818 1.00 71.21 C ATOM 315 NZ LYS A 20 14.302 -8.153 4.887 1.00 43.41 N ATOM 0 H LYS A 20 13.155 -1.979 6.138 1.00 61.22 H new ATOM 0 HA LYS A 20 10.682 -3.234 6.982 1.00 13.55 H new ATOM 0 HB2 LYS A 20 13.619 -3.812 7.531 1.00 75.35 H new ATOM 0 HB3 LYS A 20 12.308 -4.766 8.195 1.00 75.35 H new ATOM 0 HG2 LYS A 20 11.529 -5.296 5.900 1.00 4.32 H new ATOM 0 HG3 LYS A 20 12.838 -4.340 5.235 1.00 4.32 H new ATOM 0 HD2 LYS A 20 14.472 -5.854 6.427 1.00 15.41 H new ATOM 0 HD3 LYS A 20 13.121 -6.850 6.929 1.00 15.41 H new ATOM 0 HE2 LYS A 20 12.492 -7.133 4.501 1.00 71.21 H new ATOM 0 HE3 LYS A 20 13.936 -6.243 4.060 1.00 71.21 H new ATOM 0 HZ1 LYS A 20 14.302 -8.615 3.955 1.00 43.41 H new ATOM 0 HZ2 LYS A 20 15.280 -7.930 5.163 1.00 43.41 H new ATOM 0 HZ3 LYS A 20 13.881 -8.792 5.591 1.00 43.41 H new ATOM 329 N ASN A 21 10.439 -2.615 9.325 1.00 20.24 N ATOM 330 CA ASN A 21 10.167 -2.180 10.690 1.00 12.43 C ATOM 331 C ASN A 21 10.986 -2.993 11.678 1.00 73.10 C ATOM 332 O ASN A 21 11.735 -3.890 11.288 1.00 12.04 O ATOM 333 CB ASN A 21 8.684 -2.364 11.029 1.00 42.23 C ATOM 334 CG ASN A 21 7.766 -1.453 10.248 1.00 31.35 C ATOM 335 OD1 ASN A 21 7.306 -1.922 9.101 1.00 21.24 O flip ATOM 336 ND2 ASN A 21 7.453 -0.347 10.681 1.00 35.21 N flip ATOM 0 H ASN A 21 9.698 -3.187 8.920 1.00 20.24 H new ATOM 0 HA ASN A 21 10.435 -1.126 10.761 1.00 12.43 H new ATOM 0 HB2 ASN A 21 8.402 -3.400 10.838 1.00 42.23 H new ATOM 0 HB3 ASN A 21 8.539 -2.185 12.094 1.00 42.23 H new ATOM 0 HD21 ASN A 21 7.831 -0.022 11.571 1.00 35.21 H new ATOM 0 HD22 ASN A 21 6.816 0.247 10.150 1.00 35.21 H new ATOM 343 N ALA A 22 10.812 -2.700 12.961 1.00 35.12 N ATOM 344 CA ALA A 22 11.439 -3.487 14.011 1.00 11.11 C ATOM 345 C ALA A 22 10.784 -4.862 14.098 1.00 33.25 C ATOM 346 O ALA A 22 11.334 -5.794 14.681 1.00 53.21 O ATOM 347 CB ALA A 22 11.344 -2.757 15.342 1.00 30.24 C ATOM 0 H ALA A 22 10.242 -1.924 13.297 1.00 35.12 H new ATOM 0 HA ALA A 22 12.493 -3.624 13.771 1.00 11.11 H new ATOM 0 HB1 ALA A 22 11.817 -3.356 16.120 1.00 30.24 H new ATOM 0 HB2 ALA A 22 11.851 -1.795 15.266 1.00 30.24 H new ATOM 0 HB3 ALA A 22 10.296 -2.596 15.595 1.00 30.24 H new ATOM 353 N ASP A 23 9.600 -4.974 13.502 1.00 0.30 N ATOM 354 CA ASP A 23 8.891 -6.246 13.419 1.00 22.54 C ATOM 355 C ASP A 23 9.491 -7.101 12.305 1.00 4.32 C ATOM 356 O ASP A 23 9.299 -8.311 12.256 1.00 73.23 O ATOM 357 CB ASP A 23 7.398 -6.002 13.152 1.00 44.12 C ATOM 358 CG ASP A 23 6.568 -7.271 13.209 1.00 13.10 C ATOM 359 OD1 ASP A 23 6.430 -7.948 12.173 1.00 51.22 O ATOM 360 OD2 ASP A 23 6.037 -7.590 14.292 1.00 64.41 O ATOM 0 H ASP A 23 9.109 -4.193 13.067 1.00 0.30 H new ATOM 0 HA ASP A 23 8.995 -6.774 14.367 1.00 22.54 H new ATOM 0 HB2 ASP A 23 7.015 -5.291 13.885 1.00 44.12 H new ATOM 0 HB3 ASP A 23 7.281 -5.542 12.171 1.00 44.12 H new ATOM 365 N GLY A 24 10.247 -6.454 11.425 1.00 74.33 N ATOM 366 CA GLY A 24 10.886 -7.158 10.327 1.00 45.50 C ATOM 367 C GLY A 24 10.048 -7.144 9.063 1.00 24.24 C ATOM 368 O GLY A 24 10.465 -7.663 8.028 1.00 44.40 O ATOM 0 H GLY A 24 10.430 -5.451 11.452 1.00 74.33 H new ATOM 0 HA2 GLY A 24 11.855 -6.702 10.122 1.00 45.50 H new ATOM 0 HA3 GLY A 24 11.075 -8.190 10.622 1.00 45.50 H new ATOM 372 N LYS A 25 8.870 -6.540 9.145 1.00 41.15 N ATOM 373 CA LYS A 25 7.989 -6.411 7.989 1.00 52.14 C ATOM 374 C LYS A 25 8.246 -5.097 7.267 1.00 63.33 C ATOM 375 O LYS A 25 8.649 -4.109 7.886 1.00 41.43 O ATOM 376 CB LYS A 25 6.523 -6.492 8.416 1.00 21.50 C ATOM 377 CG LYS A 25 6.095 -7.876 8.880 1.00 13.10 C ATOM 378 CD LYS A 25 4.662 -7.874 9.390 1.00 2.23 C ATOM 379 CE LYS A 25 4.217 -9.260 9.834 1.00 10.41 C ATOM 380 NZ LYS A 25 5.143 -9.845 10.838 1.00 54.41 N ATOM 0 H LYS A 25 8.500 -6.130 10.003 1.00 41.15 H new ATOM 0 HA LYS A 25 8.201 -7.235 7.308 1.00 52.14 H new ATOM 0 HB2 LYS A 25 6.349 -5.779 9.222 1.00 21.50 H new ATOM 0 HB3 LYS A 25 5.893 -6.188 7.580 1.00 21.50 H new ATOM 0 HG2 LYS A 25 6.188 -8.582 8.055 1.00 13.10 H new ATOM 0 HG3 LYS A 25 6.763 -8.219 9.670 1.00 13.10 H new ATOM 0 HD2 LYS A 25 4.575 -7.179 10.226 1.00 2.23 H new ATOM 0 HD3 LYS A 25 3.997 -7.513 8.605 1.00 2.23 H new ATOM 0 HE2 LYS A 25 3.214 -9.201 10.256 1.00 10.41 H new ATOM 0 HE3 LYS A 25 4.159 -9.918 8.967 1.00 10.41 H new ATOM 0 HZ1 LYS A 25 4.633 -10.544 11.415 1.00 54.41 H new ATOM 0 HZ2 LYS A 25 5.935 -10.311 10.350 1.00 54.41 H new ATOM 0 HZ3 LYS A 25 5.511 -9.091 11.452 1.00 54.41 H new ATOM 394 N LEU A 26 8.010 -5.088 5.966 1.00 22.11 N ATOM 395 CA LEU A 26 8.244 -3.905 5.151 1.00 54.00 C ATOM 396 C LEU A 26 7.137 -2.885 5.318 1.00 71.43 C ATOM 397 O LEU A 26 5.967 -3.229 5.463 1.00 72.23 O ATOM 398 CB LEU A 26 8.379 -4.288 3.675 1.00 71.32 C ATOM 399 CG LEU A 26 9.697 -4.959 3.289 1.00 40.41 C ATOM 400 CD1 LEU A 26 9.594 -5.570 1.901 1.00 75.41 C ATOM 401 CD2 LEU A 26 10.828 -3.948 3.330 1.00 73.04 C ATOM 0 H LEU A 26 7.654 -5.891 5.448 1.00 22.11 H new ATOM 0 HA LEU A 26 9.176 -3.453 5.492 1.00 54.00 H new ATOM 0 HB2 LEU A 26 7.560 -4.958 3.415 1.00 71.32 H new ATOM 0 HB3 LEU A 26 8.259 -3.388 3.071 1.00 71.32 H new ATOM 0 HG LEU A 26 9.906 -5.754 4.005 1.00 40.41 H new ATOM 0 HD11 LEU A 26 10.541 -6.044 1.641 1.00 75.41 H new ATOM 0 HD12 LEU A 26 8.800 -6.316 1.890 1.00 75.41 H new ATOM 0 HD13 LEU A 26 9.368 -4.789 1.175 1.00 75.41 H new ATOM 0 HD21 LEU A 26 11.763 -4.436 3.053 1.00 73.04 H new ATOM 0 HD22 LEU A 26 10.619 -3.140 2.629 1.00 73.04 H new ATOM 0 HD23 LEU A 26 10.916 -3.541 4.337 1.00 73.04 H new ATOM 413 N SER A 27 7.532 -1.631 5.315 1.00 52.30 N ATOM 414 CA SER A 27 6.603 -0.529 5.395 1.00 73.42 C ATOM 415 C SER A 27 6.968 0.538 4.394 1.00 53.05 C ATOM 416 O SER A 27 8.148 0.797 4.156 1.00 4.34 O ATOM 417 CB SER A 27 6.610 0.065 6.794 1.00 53.44 C ATOM 418 OG SER A 27 7.932 0.223 7.286 1.00 70.20 O ATOM 0 H SER A 27 8.510 -1.347 5.257 1.00 52.30 H new ATOM 0 HA SER A 27 5.605 -0.905 5.169 1.00 73.42 H new ATOM 0 HB2 SER A 27 6.107 1.032 6.782 1.00 53.44 H new ATOM 0 HB3 SER A 27 6.045 -0.580 7.467 1.00 53.44 H new ATOM 0 HG SER A 27 8.148 -0.519 7.889 1.00 70.20 H new ATOM 424 N VAL A 28 5.966 1.159 3.816 1.00 75.30 N ATOM 425 CA VAL A 28 6.200 2.223 2.872 1.00 14.35 C ATOM 426 C VAL A 28 5.390 3.449 3.271 1.00 64.52 C ATOM 427 O VAL A 28 4.291 3.319 3.800 1.00 12.13 O ATOM 428 CB VAL A 28 5.855 1.790 1.427 1.00 62.12 C ATOM 429 CG1 VAL A 28 4.374 1.468 1.292 1.00 63.02 C ATOM 430 CG2 VAL A 28 6.267 2.857 0.423 1.00 32.11 C ATOM 0 H VAL A 28 4.983 0.945 3.984 1.00 75.30 H new ATOM 0 HA VAL A 28 7.262 2.469 2.892 1.00 14.35 H new ATOM 0 HB VAL A 28 6.420 0.884 1.209 1.00 62.12 H new ATOM 0 HG11 VAL A 28 4.159 1.167 0.267 1.00 63.02 H new ATOM 0 HG12 VAL A 28 4.115 0.656 1.971 1.00 63.02 H new ATOM 0 HG13 VAL A 28 3.785 2.351 1.542 1.00 63.02 H new ATOM 0 HG21 VAL A 28 6.013 2.526 -0.584 1.00 32.11 H new ATOM 0 HG22 VAL A 28 5.742 3.786 0.643 1.00 32.11 H new ATOM 0 HG23 VAL A 28 7.342 3.024 0.490 1.00 32.11 H new ATOM 440 N LYS A 29 5.940 4.631 3.047 1.00 72.43 N ATOM 441 CA LYS A 29 5.269 5.854 3.458 1.00 11.24 C ATOM 442 C LYS A 29 4.152 6.205 2.495 1.00 71.31 C ATOM 443 O LYS A 29 4.225 5.917 1.298 1.00 31.15 O ATOM 444 CB LYS A 29 6.253 7.020 3.533 1.00 61.20 C ATOM 445 CG LYS A 29 7.537 6.696 4.269 1.00 52.34 C ATOM 446 CD LYS A 29 7.320 6.449 5.752 1.00 2.23 C ATOM 447 CE LYS A 29 6.922 7.712 6.489 1.00 35.25 C ATOM 448 NZ LYS A 29 6.977 7.522 7.962 1.00 4.41 N ATOM 0 H LYS A 29 6.840 4.770 2.588 1.00 72.43 H new ATOM 0 HA LYS A 29 4.849 5.679 4.448 1.00 11.24 H new ATOM 0 HB2 LYS A 29 6.498 7.341 2.521 1.00 61.20 H new ATOM 0 HB3 LYS A 29 5.766 7.862 4.026 1.00 61.20 H new ATOM 0 HG2 LYS A 29 7.994 5.813 3.822 1.00 52.34 H new ATOM 0 HG3 LYS A 29 8.241 7.519 4.142 1.00 52.34 H new ATOM 0 HD2 LYS A 29 6.545 5.694 5.884 1.00 2.23 H new ATOM 0 HD3 LYS A 29 8.234 6.047 6.190 1.00 2.23 H new ATOM 0 HE2 LYS A 29 7.586 8.527 6.201 1.00 35.25 H new ATOM 0 HE3 LYS A 29 5.913 8.003 6.196 1.00 35.25 H new ATOM 0 HZ1 LYS A 29 6.900 8.445 8.434 1.00 4.41 H new ATOM 0 HZ2 LYS A 29 6.190 6.912 8.263 1.00 4.41 H new ATOM 0 HZ3 LYS A 29 7.880 7.075 8.221 1.00 4.41 H new ATOM 462 N PHE A 30 3.134 6.845 3.030 1.00 14.32 N ATOM 463 CA PHE A 30 1.973 7.231 2.249 1.00 33.31 C ATOM 464 C PHE A 30 2.349 8.296 1.226 1.00 23.42 C ATOM 465 O PHE A 30 1.915 8.243 0.077 1.00 22.24 O ATOM 466 CB PHE A 30 0.864 7.749 3.167 1.00 13.14 C ATOM 467 CG PHE A 30 -0.422 8.036 2.450 1.00 73.44 C ATOM 468 CD1 PHE A 30 -1.218 6.997 1.998 1.00 35.53 C ATOM 469 CD2 PHE A 30 -0.835 9.339 2.224 1.00 64.53 C ATOM 470 CE1 PHE A 30 -2.403 7.249 1.336 1.00 71.21 C ATOM 471 CE2 PHE A 30 -2.021 9.599 1.562 1.00 50.52 C ATOM 472 CZ PHE A 30 -2.806 8.551 1.116 1.00 70.00 C ATOM 0 H PHE A 30 3.085 7.112 4.013 1.00 14.32 H new ATOM 0 HA PHE A 30 1.607 6.353 1.718 1.00 33.31 H new ATOM 0 HB2 PHE A 30 0.678 7.013 3.949 1.00 13.14 H new ATOM 0 HB3 PHE A 30 1.207 8.659 3.660 1.00 13.14 H new ATOM 0 HD1 PHE A 30 -0.908 5.976 2.166 1.00 35.53 H new ATOM 0 HD2 PHE A 30 -0.224 10.160 2.568 1.00 64.53 H new ATOM 0 HE1 PHE A 30 -3.014 6.428 0.991 1.00 71.21 H new ATOM 0 HE2 PHE A 30 -2.334 10.619 1.393 1.00 50.52 H new ATOM 0 HZ PHE A 30 -3.732 8.751 0.597 1.00 70.00 H new ATOM 482 N GLY A 31 3.182 9.242 1.642 1.00 30.23 N ATOM 483 CA GLY A 31 3.548 10.346 0.775 1.00 23.22 C ATOM 484 C GLY A 31 4.325 9.903 -0.448 1.00 34.44 C ATOM 485 O GLY A 31 4.014 10.314 -1.570 1.00 12.53 O ATOM 0 H GLY A 31 3.612 9.264 2.567 1.00 30.23 H new ATOM 0 HA2 GLY A 31 2.645 10.866 0.456 1.00 23.22 H new ATOM 0 HA3 GLY A 31 4.146 11.062 1.339 1.00 23.22 H new ATOM 489 N VAL A 32 5.324 9.051 -0.243 1.00 52.43 N ATOM 490 CA VAL A 32 6.179 8.602 -1.334 1.00 61.23 C ATOM 491 C VAL A 32 5.392 7.742 -2.321 1.00 22.15 C ATOM 492 O VAL A 32 5.552 7.868 -3.533 1.00 54.21 O ATOM 493 CB VAL A 32 7.419 7.829 -0.816 1.00 40.11 C ATOM 494 CG1 VAL A 32 7.037 6.528 -0.125 1.00 62.20 C ATOM 495 CG2 VAL A 32 8.404 7.569 -1.950 1.00 72.23 C ATOM 0 H VAL A 32 5.561 8.658 0.668 1.00 52.43 H new ATOM 0 HA VAL A 32 6.536 9.493 -1.850 1.00 61.23 H new ATOM 0 HB VAL A 32 7.903 8.459 -0.070 1.00 40.11 H new ATOM 0 HG11 VAL A 32 7.938 6.022 0.221 1.00 62.20 H new ATOM 0 HG12 VAL A 32 6.393 6.744 0.727 1.00 62.20 H new ATOM 0 HG13 VAL A 32 6.506 5.885 -0.827 1.00 62.20 H new ATOM 0 HG21 VAL A 32 9.267 7.026 -1.565 1.00 72.23 H new ATOM 0 HG22 VAL A 32 7.918 6.976 -2.725 1.00 72.23 H new ATOM 0 HG23 VAL A 32 8.732 8.519 -2.372 1.00 72.23 H new ATOM 505 N LEU A 33 4.521 6.895 -1.793 1.00 23.04 N ATOM 506 CA LEU A 33 3.714 6.014 -2.625 1.00 21.24 C ATOM 507 C LEU A 33 2.685 6.826 -3.408 1.00 34.34 C ATOM 508 O LEU A 33 2.532 6.650 -4.617 1.00 61.44 O ATOM 509 CB LEU A 33 3.022 4.959 -1.749 1.00 64.12 C ATOM 510 CG LEU A 33 2.708 3.612 -2.427 1.00 52.04 C ATOM 511 CD1 LEU A 33 2.200 2.611 -1.402 1.00 51.11 C ATOM 512 CD2 LEU A 33 1.685 3.773 -3.542 1.00 23.12 C ATOM 0 H LEU A 33 4.355 6.799 -0.791 1.00 23.04 H new ATOM 0 HA LEU A 33 4.361 5.503 -3.338 1.00 21.24 H new ATOM 0 HB2 LEU A 33 3.653 4.767 -0.881 1.00 64.12 H new ATOM 0 HB3 LEU A 33 2.088 5.381 -1.377 1.00 64.12 H new ATOM 0 HG LEU A 33 3.634 3.241 -2.867 1.00 52.04 H new ATOM 0 HD11 LEU A 33 1.982 1.664 -1.895 1.00 51.11 H new ATOM 0 HD12 LEU A 33 2.961 2.455 -0.637 1.00 51.11 H new ATOM 0 HD13 LEU A 33 1.292 2.995 -0.937 1.00 51.11 H new ATOM 0 HD21 LEU A 33 1.488 2.803 -3.998 1.00 23.12 H new ATOM 0 HD22 LEU A 33 0.759 4.176 -3.131 1.00 23.12 H new ATOM 0 HD23 LEU A 33 2.074 4.456 -4.297 1.00 23.12 H new ATOM 524 N PHE A 34 2.012 7.741 -2.714 1.00 32.42 N ATOM 525 CA PHE A 34 0.974 8.567 -3.321 1.00 32.42 C ATOM 526 C PHE A 34 1.555 9.420 -4.448 1.00 64.42 C ATOM 527 O PHE A 34 0.917 9.624 -5.477 1.00 34.15 O ATOM 528 CB PHE A 34 0.329 9.452 -2.248 1.00 35.33 C ATOM 529 CG PHE A 34 -0.928 10.145 -2.690 1.00 43.00 C ATOM 530 CD1 PHE A 34 -2.035 9.411 -3.084 1.00 41.32 C ATOM 531 CD2 PHE A 34 -1.009 11.528 -2.690 1.00 71.51 C ATOM 532 CE1 PHE A 34 -3.199 10.043 -3.475 1.00 31.44 C ATOM 533 CE2 PHE A 34 -2.170 12.166 -3.082 1.00 30.11 C ATOM 534 CZ PHE A 34 -3.267 11.422 -3.474 1.00 72.45 C ATOM 0 H PHE A 34 2.170 7.929 -1.724 1.00 32.42 H new ATOM 0 HA PHE A 34 0.210 7.919 -3.752 1.00 32.42 H new ATOM 0 HB2 PHE A 34 0.104 8.839 -1.375 1.00 35.33 H new ATOM 0 HB3 PHE A 34 1.052 10.204 -1.931 1.00 35.33 H new ATOM 0 HD1 PHE A 34 -1.987 8.332 -3.085 1.00 41.32 H new ATOM 0 HD2 PHE A 34 -0.156 12.113 -2.380 1.00 71.51 H new ATOM 0 HE1 PHE A 34 -4.055 9.459 -3.781 1.00 31.44 H new ATOM 0 HE2 PHE A 34 -2.220 13.245 -3.082 1.00 30.11 H new ATOM 0 HZ PHE A 34 -4.176 11.919 -3.779 1.00 72.45 H new ATOM 544 N ARG A 35 2.775 9.903 -4.248 1.00 31.30 N ATOM 545 CA ARG A 35 3.468 10.677 -5.271 1.00 24.54 C ATOM 546 C ARG A 35 3.874 9.790 -6.440 1.00 71.43 C ATOM 547 O ARG A 35 3.671 10.142 -7.600 1.00 21.11 O ATOM 548 CB ARG A 35 4.721 11.338 -4.688 1.00 70.24 C ATOM 549 CG ARG A 35 5.512 12.146 -5.710 1.00 61.31 C ATOM 550 CD ARG A 35 7.002 11.838 -5.648 1.00 74.44 C ATOM 551 NE ARG A 35 7.307 10.473 -6.089 1.00 33.42 N ATOM 552 CZ ARG A 35 8.505 10.082 -6.529 1.00 55.20 C ATOM 553 NH1 ARG A 35 9.506 10.951 -6.593 1.00 3.11 N ATOM 554 NH2 ARG A 35 8.704 8.829 -6.925 1.00 23.51 N ATOM 0 H ARG A 35 3.305 9.772 -3.387 1.00 31.30 H new ATOM 0 HA ARG A 35 2.781 11.446 -5.625 1.00 24.54 H new ATOM 0 HB2 ARG A 35 4.429 11.992 -3.867 1.00 70.24 H new ATOM 0 HB3 ARG A 35 5.367 10.567 -4.267 1.00 70.24 H new ATOM 0 HG2 ARG A 35 5.138 11.930 -6.711 1.00 61.31 H new ATOM 0 HG3 ARG A 35 5.354 13.210 -5.533 1.00 61.31 H new ATOM 0 HD2 ARG A 35 7.544 12.549 -6.272 1.00 74.44 H new ATOM 0 HD3 ARG A 35 7.357 11.975 -4.627 1.00 74.44 H new ATOM 0 HE ARG A 35 6.559 9.781 -6.058 1.00 33.42 H new ATOM 0 HH11 ARG A 35 9.360 11.919 -6.306 1.00 3.11 H new ATOM 0 HH12 ARG A 35 10.421 10.651 -6.929 1.00 3.11 H new ATOM 0 HH21 ARG A 35 7.938 8.157 -6.894 1.00 23.51 H new ATOM 0 HH22 ARG A 35 9.623 8.540 -7.260 1.00 23.51 H new ATOM 568 N ASP A 36 4.442 8.635 -6.117 1.00 43.35 N ATOM 569 CA ASP A 36 5.029 7.759 -7.123 1.00 74.54 C ATOM 570 C ASP A 36 3.975 7.210 -8.077 1.00 4.24 C ATOM 571 O ASP A 36 4.203 7.140 -9.288 1.00 54.34 O ATOM 572 CB ASP A 36 5.776 6.605 -6.452 1.00 74.11 C ATOM 573 CG ASP A 36 6.596 5.803 -7.438 1.00 2.33 C ATOM 574 OD1 ASP A 36 7.683 6.276 -7.824 1.00 71.24 O ATOM 575 OD2 ASP A 36 6.160 4.707 -7.838 1.00 34.21 O ATOM 0 H ASP A 36 4.509 8.282 -5.162 1.00 43.35 H new ATOM 0 HA ASP A 36 5.732 8.354 -7.706 1.00 74.54 H new ATOM 0 HB2 ASP A 36 6.431 7.001 -5.676 1.00 74.11 H new ATOM 0 HB3 ASP A 36 5.059 5.948 -5.960 1.00 74.11 H new ATOM 580 N ASP A 37 2.822 6.830 -7.537 1.00 10.20 N ATOM 581 CA ASP A 37 1.752 6.284 -8.364 1.00 72.43 C ATOM 582 C ASP A 37 1.254 7.310 -9.367 1.00 71.42 C ATOM 583 O ASP A 37 0.942 6.965 -10.495 1.00 34.21 O ATOM 584 CB ASP A 37 0.578 5.790 -7.522 1.00 43.32 C ATOM 585 CG ASP A 37 -0.578 5.331 -8.395 1.00 62.35 C ATOM 586 OD1 ASP A 37 -0.546 4.179 -8.875 1.00 54.43 O ATOM 587 OD2 ASP A 37 -1.498 6.138 -8.634 1.00 40.21 O ATOM 0 H ASP A 37 2.606 6.889 -6.542 1.00 10.20 H new ATOM 0 HA ASP A 37 2.176 5.435 -8.900 1.00 72.43 H new ATOM 0 HB2 ASP A 37 0.905 4.967 -6.887 1.00 43.32 H new ATOM 0 HB3 ASP A 37 0.241 6.588 -6.861 1.00 43.32 H new ATOM 592 N LYS A 38 1.221 8.576 -8.970 1.00 33.03 N ATOM 593 CA LYS A 38 0.691 9.637 -9.825 1.00 50.43 C ATOM 594 C LYS A 38 1.412 9.721 -11.173 1.00 72.11 C ATOM 595 O LYS A 38 0.888 10.301 -12.127 1.00 63.14 O ATOM 596 CB LYS A 38 0.761 10.986 -9.106 1.00 62.13 C ATOM 597 CG LYS A 38 -0.290 11.142 -8.024 1.00 2.25 C ATOM 598 CD LYS A 38 -0.272 12.538 -7.426 1.00 23.03 C ATOM 599 CE LYS A 38 -1.438 12.746 -6.478 1.00 11.10 C ATOM 600 NZ LYS A 38 -1.455 14.118 -5.905 1.00 34.22 N ATOM 0 H LYS A 38 1.555 8.896 -8.061 1.00 33.03 H new ATOM 0 HA LYS A 38 -0.350 9.388 -10.031 1.00 50.43 H new ATOM 0 HB2 LYS A 38 1.750 11.103 -8.662 1.00 62.13 H new ATOM 0 HB3 LYS A 38 0.643 11.786 -9.837 1.00 62.13 H new ATOM 0 HG2 LYS A 38 -1.276 10.937 -8.441 1.00 2.25 H new ATOM 0 HG3 LYS A 38 -0.117 10.407 -7.238 1.00 2.25 H new ATOM 0 HD2 LYS A 38 0.666 12.696 -6.893 1.00 23.03 H new ATOM 0 HD3 LYS A 38 -0.313 13.279 -8.225 1.00 23.03 H new ATOM 0 HE2 LYS A 38 -2.373 12.563 -7.008 1.00 11.10 H new ATOM 0 HE3 LYS A 38 -1.382 12.017 -5.670 1.00 11.10 H new ATOM 0 HZ1 LYS A 38 -1.672 14.067 -4.889 1.00 34.22 H new ATOM 0 HZ2 LYS A 38 -0.524 14.561 -6.038 1.00 34.22 H new ATOM 0 HZ3 LYS A 38 -2.181 14.686 -6.386 1.00 34.22 H new ATOM 614 N SER A 39 2.605 9.145 -11.258 1.00 63.12 N ATOM 615 CA SER A 39 3.367 9.150 -12.498 1.00 50.44 C ATOM 616 C SER A 39 3.008 7.959 -13.402 1.00 4.45 C ATOM 617 O SER A 39 3.228 8.000 -14.612 1.00 63.12 O ATOM 618 CB SER A 39 4.859 9.143 -12.179 1.00 24.02 C ATOM 619 OG SER A 39 5.188 10.217 -11.311 1.00 72.43 O ATOM 0 H SER A 39 3.065 8.669 -10.482 1.00 63.12 H new ATOM 0 HA SER A 39 3.111 10.057 -13.046 1.00 50.44 H new ATOM 0 HB2 SER A 39 5.133 8.196 -11.715 1.00 24.02 H new ATOM 0 HB3 SER A 39 5.434 9.224 -13.101 1.00 24.02 H new ATOM 0 HG SER A 39 6.148 10.197 -11.115 1.00 72.43 H new ATOM 625 N ALA A 40 2.441 6.907 -12.822 1.00 1.50 N ATOM 626 CA ALA A 40 2.153 5.689 -13.580 1.00 40.51 C ATOM 627 C ALA A 40 0.662 5.363 -13.584 1.00 34.51 C ATOM 628 O ALA A 40 0.156 4.752 -14.525 1.00 60.40 O ATOM 629 CB ALA A 40 2.947 4.524 -13.010 1.00 3.33 C ATOM 0 H ALA A 40 2.173 6.870 -11.839 1.00 1.50 H new ATOM 0 HA ALA A 40 2.453 5.860 -14.614 1.00 40.51 H new ATOM 0 HB1 ALA A 40 2.727 3.621 -13.579 1.00 3.33 H new ATOM 0 HB2 ALA A 40 4.013 4.744 -13.075 1.00 3.33 H new ATOM 0 HB3 ALA A 40 2.671 4.371 -11.967 1.00 3.33 H new ATOM 635 N ASN A 41 -0.026 5.779 -12.525 1.00 2.11 N ATOM 636 CA ASN A 41 -1.449 5.514 -12.344 1.00 50.44 C ATOM 637 C ASN A 41 -1.725 4.021 -12.365 1.00 42.13 C ATOM 638 O ASN A 41 -2.540 3.528 -13.146 1.00 72.01 O ATOM 639 CB ASN A 41 -2.290 6.243 -13.396 1.00 13.24 C ATOM 640 CG ASN A 41 -2.293 7.747 -13.194 1.00 75.54 C ATOM 641 OD1 ASN A 41 -2.212 8.183 -11.944 1.00 13.25 O flip ATOM 642 ND2 ASN A 41 -2.375 8.514 -14.151 1.00 31.31 N flip ATOM 0 H ASN A 41 0.392 6.313 -11.763 1.00 2.11 H new ATOM 0 HA ASN A 41 -1.739 5.900 -11.367 1.00 50.44 H new ATOM 0 HB2 ASN A 41 -1.904 6.013 -14.389 1.00 13.24 H new ATOM 0 HB3 ASN A 41 -3.314 5.872 -13.359 1.00 13.24 H new ATOM 0 HD21 ASN A 41 -2.436 8.142 -15.099 1.00 31.31 H new ATOM 0 HD22 ASN A 41 -2.382 9.522 -13.997 1.00 31.31 H new ATOM 649 N LEU A 42 -1.033 3.308 -11.494 1.00 41.44 N ATOM 650 CA LEU A 42 -1.215 1.876 -11.366 1.00 42.23 C ATOM 651 C LEU A 42 -2.443 1.608 -10.519 1.00 60.55 C ATOM 652 O LEU A 42 -3.231 0.705 -10.800 1.00 35.05 O ATOM 653 CB LEU A 42 0.017 1.237 -10.722 1.00 51.21 C ATOM 654 CG LEU A 42 1.332 1.447 -11.473 1.00 53.31 C ATOM 655 CD1 LEU A 42 2.479 0.792 -10.720 1.00 4.22 C ATOM 656 CD2 LEU A 42 1.233 0.896 -12.888 1.00 10.51 C ATOM 0 H LEU A 42 -0.336 3.702 -10.862 1.00 41.44 H new ATOM 0 HA LEU A 42 -1.349 1.439 -12.356 1.00 42.23 H new ATOM 0 HB2 LEU A 42 0.127 1.635 -9.713 1.00 51.21 H new ATOM 0 HB3 LEU A 42 -0.159 0.166 -10.624 1.00 51.21 H new ATOM 0 HG LEU A 42 1.528 2.517 -11.538 1.00 53.31 H new ATOM 0 HD11 LEU A 42 3.409 0.949 -11.266 1.00 4.22 H new ATOM 0 HD12 LEU A 42 2.562 1.234 -9.727 1.00 4.22 H new ATOM 0 HD13 LEU A 42 2.289 -0.277 -10.627 1.00 4.22 H new ATOM 0 HD21 LEU A 42 2.178 1.055 -13.407 1.00 10.51 H new ATOM 0 HD22 LEU A 42 1.015 -0.171 -12.848 1.00 10.51 H new ATOM 0 HD23 LEU A 42 0.434 1.410 -13.423 1.00 10.51 H new ATOM 668 N PHE A 43 -2.598 2.419 -9.484 1.00 4.32 N ATOM 669 CA PHE A 43 -3.735 2.318 -8.592 1.00 1.11 C ATOM 670 C PHE A 43 -4.708 3.455 -8.873 1.00 73.55 C ATOM 671 O PHE A 43 -4.525 4.580 -8.402 1.00 15.35 O ATOM 672 CB PHE A 43 -3.270 2.358 -7.133 1.00 64.12 C ATOM 673 CG PHE A 43 -2.129 1.421 -6.846 1.00 33.30 C ATOM 674 CD1 PHE A 43 -2.335 0.054 -6.792 1.00 10.01 C ATOM 675 CD2 PHE A 43 -0.849 1.911 -6.641 1.00 60.32 C ATOM 676 CE1 PHE A 43 -1.286 -0.807 -6.539 1.00 44.05 C ATOM 677 CE2 PHE A 43 0.204 1.056 -6.385 1.00 12.13 C ATOM 678 CZ PHE A 43 -0.014 -0.307 -6.336 1.00 72.52 C ATOM 0 H PHE A 43 -1.941 3.161 -9.242 1.00 4.32 H new ATOM 0 HA PHE A 43 -4.242 1.368 -8.764 1.00 1.11 H new ATOM 0 HB2 PHE A 43 -2.967 3.375 -6.883 1.00 64.12 H new ATOM 0 HB3 PHE A 43 -4.109 2.107 -6.484 1.00 64.12 H new ATOM 0 HD1 PHE A 43 -3.327 -0.344 -6.949 1.00 10.01 H new ATOM 0 HD2 PHE A 43 -0.673 2.976 -6.682 1.00 60.32 H new ATOM 0 HE1 PHE A 43 -1.460 -1.872 -6.500 1.00 44.05 H new ATOM 0 HE2 PHE A 43 1.196 1.452 -6.223 1.00 12.13 H new ATOM 0 HZ PHE A 43 0.807 -0.980 -6.140 1.00 72.52 H new ATOM 688 N GLU A 44 -5.733 3.162 -9.664 1.00 63.33 N ATOM 689 CA GLU A 44 -6.727 4.162 -10.037 1.00 75.13 C ATOM 690 C GLU A 44 -7.438 4.693 -8.793 1.00 2.03 C ATOM 691 O GLU A 44 -7.886 5.842 -8.750 1.00 14.55 O ATOM 692 CB GLU A 44 -7.736 3.555 -11.008 1.00 74.22 C ATOM 693 CG GLU A 44 -8.637 4.581 -11.671 1.00 73.43 C ATOM 694 CD GLU A 44 -9.602 3.954 -12.649 1.00 10.12 C ATOM 695 OE1 GLU A 44 -9.142 3.379 -13.656 1.00 61.21 O ATOM 696 OE2 GLU A 44 -10.826 4.025 -12.411 1.00 52.53 O ATOM 0 H GLU A 44 -5.898 2.237 -10.061 1.00 63.33 H new ATOM 0 HA GLU A 44 -6.223 4.995 -10.528 1.00 75.13 H new ATOM 0 HB2 GLU A 44 -7.198 3.004 -11.780 1.00 74.22 H new ATOM 0 HB3 GLU A 44 -8.354 2.834 -10.473 1.00 74.22 H new ATOM 0 HG2 GLU A 44 -9.197 5.117 -10.905 1.00 73.43 H new ATOM 0 HG3 GLU A 44 -8.024 5.317 -12.191 1.00 73.43 H new ATOM 703 N ALA A 45 -7.538 3.839 -7.787 1.00 54.14 N ATOM 704 CA ALA A 45 -8.049 4.232 -6.491 1.00 53.22 C ATOM 705 C ALA A 45 -7.144 3.671 -5.404 1.00 44.51 C ATOM 706 O ALA A 45 -7.391 2.586 -4.880 1.00 62.40 O ATOM 707 CB ALA A 45 -9.483 3.758 -6.305 1.00 11.24 C ATOM 0 H ALA A 45 -7.267 2.858 -7.849 1.00 54.14 H new ATOM 0 HA ALA A 45 -8.055 5.320 -6.424 1.00 53.22 H new ATOM 0 HB1 ALA A 45 -9.844 4.066 -5.324 1.00 11.24 H new ATOM 0 HB2 ALA A 45 -10.114 4.197 -7.078 1.00 11.24 H new ATOM 0 HB3 ALA A 45 -9.520 2.671 -6.380 1.00 11.24 H new ATOM 713 N LEU A 46 -6.077 4.407 -5.099 1.00 35.21 N ATOM 714 CA LEU A 46 -5.072 3.957 -4.141 1.00 21.11 C ATOM 715 C LEU A 46 -5.701 3.620 -2.796 1.00 24.45 C ATOM 716 O LEU A 46 -5.371 2.605 -2.185 1.00 13.15 O ATOM 717 CB LEU A 46 -3.986 5.023 -3.963 1.00 75.22 C ATOM 718 CG LEU A 46 -2.847 4.639 -3.010 1.00 53.11 C ATOM 719 CD1 LEU A 46 -2.118 3.402 -3.513 1.00 12.41 C ATOM 720 CD2 LEU A 46 -1.877 5.799 -2.846 1.00 62.42 C ATOM 0 H LEU A 46 -5.887 5.323 -5.505 1.00 35.21 H new ATOM 0 HA LEU A 46 -4.617 3.050 -4.539 1.00 21.11 H new ATOM 0 HB2 LEU A 46 -3.560 5.252 -4.940 1.00 75.22 H new ATOM 0 HB3 LEU A 46 -4.453 5.937 -3.597 1.00 75.22 H new ATOM 0 HG LEU A 46 -3.279 4.408 -2.036 1.00 53.11 H new ATOM 0 HD11 LEU A 46 -1.314 3.147 -2.822 1.00 12.41 H new ATOM 0 HD12 LEU A 46 -2.818 2.569 -3.579 1.00 12.41 H new ATOM 0 HD13 LEU A 46 -1.699 3.602 -4.499 1.00 12.41 H new ATOM 0 HD21 LEU A 46 -1.075 5.510 -2.167 1.00 62.42 H new ATOM 0 HD22 LEU A 46 -1.454 6.060 -3.816 1.00 62.42 H new ATOM 0 HD23 LEU A 46 -2.406 6.660 -2.437 1.00 62.42 H new ATOM 732 N VAL A 47 -6.624 4.465 -2.350 1.00 64.20 N ATOM 733 CA VAL A 47 -7.313 4.240 -1.085 1.00 54.32 C ATOM 734 C VAL A 47 -8.096 2.931 -1.136 1.00 40.33 C ATOM 735 O VAL A 47 -8.151 2.185 -0.158 1.00 21.00 O ATOM 736 CB VAL A 47 -8.269 5.408 -0.742 1.00 22.22 C ATOM 737 CG1 VAL A 47 -8.958 5.173 0.593 1.00 74.20 C ATOM 738 CG2 VAL A 47 -7.515 6.727 -0.722 1.00 43.52 C ATOM 0 H VAL A 47 -6.912 5.310 -2.844 1.00 64.20 H new ATOM 0 HA VAL A 47 -6.556 4.181 -0.303 1.00 54.32 H new ATOM 0 HB VAL A 47 -9.034 5.456 -1.517 1.00 22.22 H new ATOM 0 HG11 VAL A 47 -9.624 6.008 0.811 1.00 74.20 H new ATOM 0 HG12 VAL A 47 -9.536 4.250 0.547 1.00 74.20 H new ATOM 0 HG13 VAL A 47 -8.208 5.092 1.380 1.00 74.20 H new ATOM 0 HG21 VAL A 47 -8.204 7.536 -0.479 1.00 43.52 H new ATOM 0 HG22 VAL A 47 -6.726 6.684 0.029 1.00 43.52 H new ATOM 0 HG23 VAL A 47 -7.073 6.908 -1.702 1.00 43.52 H new ATOM 748 N GLY A 48 -8.667 2.644 -2.299 1.00 74.22 N ATOM 749 CA GLY A 48 -9.410 1.415 -2.484 1.00 14.22 C ATOM 750 C GLY A 48 -8.512 0.195 -2.436 1.00 51.24 C ATOM 751 O GLY A 48 -8.815 -0.775 -1.743 1.00 51.53 O ATOM 0 H GLY A 48 -8.627 3.246 -3.122 1.00 74.22 H new ATOM 0 HA2 GLY A 48 -10.174 1.333 -1.711 1.00 14.22 H new ATOM 0 HA3 GLY A 48 -9.929 1.446 -3.442 1.00 14.22 H new ATOM 755 N THR A 49 -7.403 0.252 -3.163 1.00 75.45 N ATOM 756 CA THR A 49 -6.439 -0.837 -3.181 1.00 74.32 C ATOM 757 C THR A 49 -5.860 -1.068 -1.782 1.00 55.45 C ATOM 758 O THR A 49 -5.663 -2.213 -1.363 1.00 34.43 O ATOM 759 CB THR A 49 -5.298 -0.538 -4.171 1.00 43.34 C ATOM 760 OG1 THR A 49 -5.848 -0.043 -5.402 1.00 21.04 O ATOM 761 CG2 THR A 49 -4.474 -1.789 -4.448 1.00 64.24 C ATOM 0 H THR A 49 -7.150 1.046 -3.750 1.00 75.45 H new ATOM 0 HA THR A 49 -6.959 -1.739 -3.503 1.00 74.32 H new ATOM 0 HB THR A 49 -4.645 0.213 -3.727 1.00 43.34 H new ATOM 0 HG1 THR A 49 -5.122 0.149 -6.031 1.00 21.04 H new ATOM 0 HG21 THR A 49 -3.675 -1.550 -5.150 1.00 64.24 H new ATOM 0 HG22 THR A 49 -4.042 -2.154 -3.516 1.00 64.24 H new ATOM 0 HG23 THR A 49 -5.115 -2.560 -4.876 1.00 64.24 H new ATOM 769 N LEU A 50 -5.603 0.022 -1.062 1.00 41.23 N ATOM 770 CA LEU A 50 -5.120 -0.063 0.311 1.00 52.04 C ATOM 771 C LEU A 50 -6.140 -0.772 1.195 1.00 22.23 C ATOM 772 O LEU A 50 -5.791 -1.680 1.947 1.00 2.41 O ATOM 773 CB LEU A 50 -4.824 1.331 0.876 1.00 54.34 C ATOM 774 CG LEU A 50 -3.627 2.054 0.253 1.00 31.13 C ATOM 775 CD1 LEU A 50 -3.481 3.445 0.848 1.00 65.23 C ATOM 776 CD2 LEU A 50 -2.354 1.252 0.460 1.00 15.22 C ATOM 0 H LEU A 50 -5.722 0.974 -1.408 1.00 41.23 H new ATOM 0 HA LEU A 50 -4.195 -0.639 0.303 1.00 52.04 H new ATOM 0 HB2 LEU A 50 -5.710 1.953 0.745 1.00 54.34 H new ATOM 0 HB3 LEU A 50 -4.653 1.240 1.949 1.00 54.34 H new ATOM 0 HG LEU A 50 -3.802 2.152 -0.818 1.00 31.13 H new ATOM 0 HD11 LEU A 50 -2.626 3.947 0.395 1.00 65.23 H new ATOM 0 HD12 LEU A 50 -4.385 4.021 0.652 1.00 65.23 H new ATOM 0 HD13 LEU A 50 -3.327 3.366 1.924 1.00 65.23 H new ATOM 0 HD21 LEU A 50 -1.514 1.781 0.011 1.00 15.22 H new ATOM 0 HD22 LEU A 50 -2.174 1.125 1.527 1.00 15.22 H new ATOM 0 HD23 LEU A 50 -2.460 0.274 -0.009 1.00 15.22 H new ATOM 788 N LYS A 51 -7.402 -0.357 1.093 1.00 62.25 N ATOM 789 CA LYS A 51 -8.483 -0.978 1.855 1.00 61.22 C ATOM 790 C LYS A 51 -8.650 -2.441 1.476 1.00 20.32 C ATOM 791 O LYS A 51 -8.901 -3.285 2.335 1.00 52.52 O ATOM 792 CB LYS A 51 -9.798 -0.228 1.636 1.00 14.41 C ATOM 793 CG LYS A 51 -10.161 0.708 2.777 1.00 42.23 C ATOM 794 CD LYS A 51 -9.128 1.810 2.958 1.00 51.24 C ATOM 795 CE LYS A 51 -9.360 2.595 4.243 1.00 23.15 C ATOM 796 NZ LYS A 51 -10.691 3.257 4.277 1.00 2.10 N ATOM 0 H LYS A 51 -7.701 0.408 0.489 1.00 62.25 H new ATOM 0 HA LYS A 51 -8.218 -0.924 2.911 1.00 61.22 H new ATOM 0 HB2 LYS A 51 -9.729 0.347 0.713 1.00 14.41 H new ATOM 0 HB3 LYS A 51 -10.602 -0.952 1.501 1.00 14.41 H new ATOM 0 HG2 LYS A 51 -11.137 1.154 2.584 1.00 42.23 H new ATOM 0 HG3 LYS A 51 -10.248 0.137 3.701 1.00 42.23 H new ATOM 0 HD2 LYS A 51 -8.129 1.374 2.974 1.00 51.24 H new ATOM 0 HD3 LYS A 51 -9.166 2.488 2.105 1.00 51.24 H new ATOM 0 HE2 LYS A 51 -9.271 1.922 5.096 1.00 23.15 H new ATOM 0 HE3 LYS A 51 -8.580 3.349 4.349 1.00 23.15 H new ATOM 0 HZ1 LYS A 51 -10.777 3.818 5.148 1.00 2.10 H new ATOM 0 HZ2 LYS A 51 -10.789 3.882 3.452 1.00 2.10 H new ATOM 0 HZ3 LYS A 51 -11.439 2.535 4.255 1.00 2.10 H new ATOM 810 N ALA A 52 -8.511 -2.731 0.189 1.00 63.53 N ATOM 811 CA ALA A 52 -8.592 -4.099 -0.311 1.00 63.13 C ATOM 812 C ALA A 52 -7.603 -5.001 0.412 1.00 31.13 C ATOM 813 O ALA A 52 -7.971 -6.042 0.960 1.00 13.13 O ATOM 814 CB ALA A 52 -8.320 -4.136 -1.809 1.00 44.44 C ATOM 0 H ALA A 52 -8.340 -2.032 -0.533 1.00 63.53 H new ATOM 0 HA ALA A 52 -9.601 -4.465 -0.122 1.00 63.13 H new ATOM 0 HB1 ALA A 52 -8.384 -5.164 -2.165 1.00 44.44 H new ATOM 0 HB2 ALA A 52 -9.059 -3.525 -2.328 1.00 44.44 H new ATOM 0 HB3 ALA A 52 -7.322 -3.745 -2.007 1.00 44.44 H new ATOM 820 N ALA A 53 -6.347 -4.582 0.423 1.00 32.23 N ATOM 821 CA ALA A 53 -5.291 -5.355 1.048 1.00 22.00 C ATOM 822 C ALA A 53 -5.393 -5.298 2.569 1.00 54.41 C ATOM 823 O ALA A 53 -5.037 -6.254 3.253 1.00 55.21 O ATOM 824 CB ALA A 53 -3.935 -4.862 0.576 1.00 31.02 C ATOM 0 H ALA A 53 -6.036 -3.706 0.003 1.00 32.23 H new ATOM 0 HA ALA A 53 -5.405 -6.397 0.751 1.00 22.00 H new ATOM 0 HB1 ALA A 53 -3.149 -5.449 1.051 1.00 31.02 H new ATOM 0 HB2 ALA A 53 -3.865 -4.970 -0.506 1.00 31.02 H new ATOM 0 HB3 ALA A 53 -3.816 -3.812 0.844 1.00 31.02 H new ATOM 830 N LYS A 54 -5.883 -4.177 3.096 1.00 15.43 N ATOM 831 CA LYS A 54 -6.081 -4.023 4.536 1.00 4.33 C ATOM 832 C LYS A 54 -7.154 -4.994 5.026 1.00 1.33 C ATOM 833 O LYS A 54 -7.013 -5.617 6.079 1.00 32.44 O ATOM 834 CB LYS A 54 -6.471 -2.575 4.865 1.00 43.33 C ATOM 835 CG LYS A 54 -6.398 -2.233 6.345 1.00 51.23 C ATOM 836 CD LYS A 54 -6.772 -0.780 6.605 1.00 72.11 C ATOM 837 CE LYS A 54 -6.668 -0.428 8.083 1.00 2.23 C ATOM 838 NZ LYS A 54 -7.064 0.980 8.347 1.00 31.01 N ATOM 0 H LYS A 54 -6.151 -3.361 2.546 1.00 15.43 H new ATOM 0 HA LYS A 54 -5.147 -4.253 5.048 1.00 4.33 H new ATOM 0 HB2 LYS A 54 -5.816 -1.900 4.314 1.00 43.33 H new ATOM 0 HB3 LYS A 54 -7.486 -2.394 4.511 1.00 43.33 H new ATOM 0 HG2 LYS A 54 -7.068 -2.887 6.903 1.00 51.23 H new ATOM 0 HG3 LYS A 54 -5.389 -2.421 6.713 1.00 51.23 H new ATOM 0 HD2 LYS A 54 -6.117 -0.127 6.028 1.00 72.11 H new ATOM 0 HD3 LYS A 54 -7.789 -0.598 6.258 1.00 72.11 H new ATOM 0 HE2 LYS A 54 -7.304 -1.098 8.661 1.00 2.23 H new ATOM 0 HE3 LYS A 54 -5.645 -0.587 8.423 1.00 2.23 H new ATOM 0 HZ1 LYS A 54 -6.979 1.180 9.364 1.00 31.01 H new ATOM 0 HZ2 LYS A 54 -6.441 1.621 7.815 1.00 31.01 H new ATOM 0 HZ3 LYS A 54 -8.049 1.126 8.047 1.00 31.01 H new ATOM 852 N ARG A 55 -8.213 -5.138 4.235 1.00 11.33 N ATOM 853 CA ARG A 55 -9.306 -6.055 4.551 1.00 55.30 C ATOM 854 C ARG A 55 -8.895 -7.509 4.335 1.00 31.44 C ATOM 855 O ARG A 55 -9.495 -8.424 4.896 1.00 62.30 O ATOM 856 CB ARG A 55 -10.538 -5.728 3.704 1.00 73.53 C ATOM 857 CG ARG A 55 -11.501 -4.763 4.375 1.00 4.52 C ATOM 858 CD ARG A 55 -12.261 -5.446 5.500 1.00 75.22 C ATOM 859 NE ARG A 55 -13.189 -4.541 6.179 1.00 62.44 N ATOM 860 CZ ARG A 55 -14.480 -4.417 5.865 1.00 43.04 C ATOM 861 NH1 ARG A 55 -14.979 -5.043 4.803 1.00 51.24 N ATOM 862 NH2 ARG A 55 -15.268 -3.645 6.601 1.00 55.21 N ATOM 0 H ARG A 55 -8.339 -4.626 3.362 1.00 11.33 H new ATOM 0 HA ARG A 55 -9.552 -5.926 5.605 1.00 55.30 H new ATOM 0 HB2 ARG A 55 -10.213 -5.302 2.755 1.00 73.53 H new ATOM 0 HB3 ARG A 55 -11.066 -6.653 3.474 1.00 73.53 H new ATOM 0 HG2 ARG A 55 -10.950 -3.909 4.770 1.00 4.52 H new ATOM 0 HG3 ARG A 55 -12.205 -4.375 3.639 1.00 4.52 H new ATOM 0 HD2 ARG A 55 -12.815 -6.294 5.098 1.00 75.22 H new ATOM 0 HD3 ARG A 55 -11.551 -5.844 6.225 1.00 75.22 H new ATOM 0 HE ARG A 55 -12.826 -3.968 6.941 1.00 62.44 H new ATOM 0 HH11 ARG A 55 -14.374 -5.623 4.222 1.00 51.24 H new ATOM 0 HH12 ARG A 55 -15.967 -4.943 4.570 1.00 51.24 H new ATOM 0 HH21 ARG A 55 -14.887 -3.147 7.406 1.00 55.21 H new ATOM 0 HH22 ARG A 55 -16.255 -3.549 6.362 1.00 55.21 H new ATOM 876 N ARG A 56 -7.886 -7.719 3.504 1.00 11.12 N ATOM 877 CA ARG A 56 -7.346 -9.055 3.294 1.00 33.01 C ATOM 878 C ARG A 56 -6.208 -9.339 4.265 1.00 42.30 C ATOM 879 O ARG A 56 -5.590 -10.401 4.212 1.00 33.33 O ATOM 880 CB ARG A 56 -6.867 -9.235 1.854 1.00 1.23 C ATOM 881 CG ARG A 56 -7.986 -9.541 0.874 1.00 5.33 C ATOM 882 CD ARG A 56 -7.439 -9.891 -0.499 1.00 11.34 C ATOM 883 NE ARG A 56 -8.464 -10.484 -1.363 1.00 23.30 N ATOM 884 CZ ARG A 56 -8.285 -10.749 -2.659 1.00 1.44 C ATOM 885 NH1 ARG A 56 -7.147 -10.434 -3.262 1.00 33.41 N ATOM 886 NH2 ARG A 56 -9.248 -11.329 -3.358 1.00 72.44 N ATOM 0 H ARG A 56 -7.425 -6.985 2.966 1.00 11.12 H new ATOM 0 HA ARG A 56 -8.149 -9.768 3.481 1.00 33.01 H new ATOM 0 HB2 ARG A 56 -6.354 -8.328 1.535 1.00 1.23 H new ATOM 0 HB3 ARG A 56 -6.136 -10.043 1.822 1.00 1.23 H new ATOM 0 HG2 ARG A 56 -8.585 -10.370 1.251 1.00 5.33 H new ATOM 0 HG3 ARG A 56 -8.648 -8.679 0.795 1.00 5.33 H new ATOM 0 HD2 ARG A 56 -7.042 -8.992 -0.971 1.00 11.34 H new ATOM 0 HD3 ARG A 56 -6.608 -10.588 -0.391 1.00 11.34 H new ATOM 0 HE ARG A 56 -9.369 -10.708 -0.949 1.00 23.30 H new ATOM 0 HH11 ARG A 56 -6.398 -9.985 -2.735 1.00 33.41 H new ATOM 0 HH12 ARG A 56 -7.021 -10.641 -4.253 1.00 33.41 H new ATOM 0 HH21 ARG A 56 -10.129 -11.574 -2.906 1.00 72.44 H new ATOM 0 HH22 ARG A 56 -9.109 -11.531 -4.348 1.00 72.44 H new ATOM 900 N LYS A 57 -5.941 -8.370 5.140 1.00 35.13 N ATOM 901 CA LYS A 57 -4.900 -8.489 6.164 1.00 1.04 C ATOM 902 C LYS A 57 -3.527 -8.654 5.525 1.00 13.21 C ATOM 903 O LYS A 57 -2.611 -9.235 6.111 1.00 43.01 O ATOM 904 CB LYS A 57 -5.206 -9.655 7.107 1.00 25.32 C ATOM 905 CG LYS A 57 -6.565 -9.541 7.774 1.00 73.35 C ATOM 906 CD LYS A 57 -6.700 -8.242 8.555 1.00 53.34 C ATOM 907 CE LYS A 57 -8.095 -8.089 9.138 1.00 33.04 C ATOM 908 NZ LYS A 57 -8.420 -9.180 10.093 1.00 43.52 N ATOM 0 H LYS A 57 -6.439 -7.480 5.160 1.00 35.13 H new ATOM 0 HA LYS A 57 -4.889 -7.570 6.749 1.00 1.04 H new ATOM 0 HB2 LYS A 57 -5.160 -10.589 6.547 1.00 25.32 H new ATOM 0 HB3 LYS A 57 -4.434 -9.706 7.875 1.00 25.32 H new ATOM 0 HG2 LYS A 57 -7.348 -9.594 7.017 1.00 73.35 H new ATOM 0 HG3 LYS A 57 -6.713 -10.387 8.445 1.00 73.35 H new ATOM 0 HD2 LYS A 57 -5.964 -8.220 9.358 1.00 53.34 H new ATOM 0 HD3 LYS A 57 -6.483 -7.398 7.901 1.00 53.34 H new ATOM 0 HE2 LYS A 57 -8.173 -7.127 9.645 1.00 33.04 H new ATOM 0 HE3 LYS A 57 -8.827 -8.083 8.331 1.00 33.04 H new ATOM 0 HZ1 LYS A 57 -9.303 -8.952 10.593 1.00 43.52 H new ATOM 0 HZ2 LYS A 57 -8.538 -10.073 9.573 1.00 43.52 H new ATOM 0 HZ3 LYS A 57 -7.647 -9.280 10.782 1.00 43.52 H new ATOM 922 N ILE A 58 -3.397 -8.117 4.323 1.00 23.10 N ATOM 923 CA ILE A 58 -2.149 -8.148 3.588 1.00 3.51 C ATOM 924 C ILE A 58 -1.293 -6.958 3.982 1.00 24.53 C ATOM 925 O ILE A 58 -0.077 -7.067 4.116 1.00 45.45 O ATOM 926 CB ILE A 58 -2.406 -8.142 2.065 1.00 70.23 C ATOM 927 CG1 ILE A 58 -3.229 -9.372 1.675 1.00 71.32 C ATOM 928 CG2 ILE A 58 -1.095 -8.110 1.292 1.00 2.51 C ATOM 929 CD1 ILE A 58 -3.665 -9.384 0.230 1.00 30.04 C ATOM 0 H ILE A 58 -4.157 -7.647 3.831 1.00 23.10 H new ATOM 0 HA ILE A 58 -1.621 -9.069 3.837 1.00 3.51 H new ATOM 0 HB ILE A 58 -2.966 -7.243 1.809 1.00 70.23 H new ATOM 0 HG12 ILE A 58 -2.641 -10.268 1.874 1.00 71.32 H new ATOM 0 HG13 ILE A 58 -4.113 -9.422 2.311 1.00 71.32 H new ATOM 0 HG21 ILE A 58 -1.303 -8.106 0.222 1.00 2.51 H new ATOM 0 HG22 ILE A 58 -0.539 -7.211 1.556 1.00 2.51 H new ATOM 0 HG23 ILE A 58 -0.503 -8.990 1.543 1.00 2.51 H new ATOM 0 HD11 ILE A 58 -4.243 -10.287 0.032 1.00 30.04 H new ATOM 0 HD12 ILE A 58 -4.281 -8.507 0.028 1.00 30.04 H new ATOM 0 HD13 ILE A 58 -2.787 -9.367 -0.415 1.00 30.04 H new ATOM 941 N VAL A 59 -1.942 -5.826 4.189 1.00 4.23 N ATOM 942 CA VAL A 59 -1.265 -4.624 4.646 1.00 15.43 C ATOM 943 C VAL A 59 -2.075 -3.972 5.754 1.00 15.21 C ATOM 944 O VAL A 59 -3.226 -4.343 5.990 1.00 44.20 O ATOM 945 CB VAL A 59 -1.071 -3.589 3.513 1.00 11.15 C ATOM 946 CG1 VAL A 59 -0.278 -4.174 2.356 1.00 0.51 C ATOM 947 CG2 VAL A 59 -2.412 -3.068 3.031 1.00 73.14 C ATOM 0 H VAL A 59 -2.946 -5.713 4.047 1.00 4.23 H new ATOM 0 HA VAL A 59 -0.282 -4.929 5.004 1.00 15.43 H new ATOM 0 HB VAL A 59 -0.499 -2.755 3.920 1.00 11.15 H new ATOM 0 HG11 VAL A 59 -0.160 -3.420 1.578 1.00 0.51 H new ATOM 0 HG12 VAL A 59 0.704 -4.487 2.710 1.00 0.51 H new ATOM 0 HG13 VAL A 59 -0.809 -5.035 1.950 1.00 0.51 H new ATOM 0 HG21 VAL A 59 -2.255 -2.341 2.234 1.00 73.14 H new ATOM 0 HG22 VAL A 59 -3.010 -3.897 2.653 1.00 73.14 H new ATOM 0 HG23 VAL A 59 -2.936 -2.591 3.859 1.00 73.14 H new ATOM 957 N THR A 60 -1.478 -3.015 6.436 1.00 11.25 N ATOM 958 CA THR A 60 -2.202 -2.218 7.398 1.00 33.04 C ATOM 959 C THR A 60 -1.494 -0.889 7.604 1.00 14.14 C ATOM 960 O THR A 60 -0.282 -0.778 7.401 1.00 44.45 O ATOM 961 CB THR A 60 -2.369 -2.951 8.749 1.00 53.04 C ATOM 962 OG1 THR A 60 -3.496 -2.418 9.461 1.00 41.23 O ATOM 963 CG2 THR A 60 -1.116 -2.829 9.610 1.00 70.23 C ATOM 0 H THR A 60 -0.492 -2.772 6.340 1.00 11.25 H new ATOM 0 HA THR A 60 -3.201 -2.042 6.999 1.00 33.04 H new ATOM 0 HB THR A 60 -2.534 -4.007 8.536 1.00 53.04 H new ATOM 0 HG1 THR A 60 -3.596 -2.889 10.315 1.00 41.23 H new ATOM 0 HG21 THR A 60 -1.269 -3.356 10.552 1.00 70.23 H new ATOM 0 HG22 THR A 60 -0.268 -3.267 9.083 1.00 70.23 H new ATOM 0 HG23 THR A 60 -0.914 -1.777 9.811 1.00 70.23 H new ATOM 971 N TYR A 61 -2.260 0.114 7.977 1.00 3.11 N ATOM 972 CA TYR A 61 -1.731 1.441 8.225 1.00 10.05 C ATOM 973 C TYR A 61 -2.692 2.196 9.128 1.00 23.52 C ATOM 974 O TYR A 61 -3.906 1.978 9.061 1.00 33.32 O ATOM 975 CB TYR A 61 -1.513 2.197 6.903 1.00 44.42 C ATOM 976 CG TYR A 61 -2.771 2.418 6.087 1.00 12.13 C ATOM 977 CD1 TYR A 61 -3.339 1.385 5.348 1.00 41.10 C ATOM 978 CD2 TYR A 61 -3.386 3.664 6.051 1.00 21.22 C ATOM 979 CE1 TYR A 61 -4.481 1.587 4.599 1.00 34.42 C ATOM 980 CE2 TYR A 61 -4.529 3.873 5.305 1.00 51.21 C ATOM 981 CZ TYR A 61 -5.071 2.833 4.582 1.00 63.14 C ATOM 982 OH TYR A 61 -6.207 3.041 3.836 1.00 54.03 O ATOM 0 H TYR A 61 -3.267 0.034 8.117 1.00 3.11 H new ATOM 0 HA TYR A 61 -0.763 1.358 8.719 1.00 10.05 H new ATOM 0 HB2 TYR A 61 -1.064 3.165 7.123 1.00 44.42 H new ATOM 0 HB3 TYR A 61 -0.795 1.643 6.297 1.00 44.42 H new ATOM 0 HD1 TYR A 61 -2.879 0.408 5.361 1.00 41.10 H new ATOM 0 HD2 TYR A 61 -2.963 4.482 6.616 1.00 21.22 H new ATOM 0 HE1 TYR A 61 -4.909 0.775 4.030 1.00 34.42 H new ATOM 0 HE2 TYR A 61 -4.996 4.847 5.288 1.00 51.21 H new ATOM 0 HH TYR A 61 -6.496 3.972 3.933 1.00 54.03 H new ATOM 992 N PRO A 62 -2.169 3.060 10.005 1.00 34.52 N ATOM 993 CA PRO A 62 -2.998 3.834 10.927 1.00 71.50 C ATOM 994 C PRO A 62 -3.926 4.790 10.187 1.00 24.11 C ATOM 995 O PRO A 62 -3.528 5.431 9.211 1.00 54.51 O ATOM 996 CB PRO A 62 -1.978 4.615 11.766 1.00 71.10 C ATOM 997 CG PRO A 62 -0.683 3.901 11.567 1.00 41.21 C ATOM 998 CD PRO A 62 -0.739 3.350 10.174 1.00 62.31 C ATOM 0 HA PRO A 62 -3.651 3.198 11.524 1.00 71.50 H new ATOM 0 HB2 PRO A 62 -1.910 5.653 11.439 1.00 71.10 H new ATOM 0 HB3 PRO A 62 -2.262 4.630 12.818 1.00 71.10 H new ATOM 0 HG2 PRO A 62 0.162 4.579 11.687 1.00 41.21 H new ATOM 0 HG3 PRO A 62 -0.558 3.104 12.300 1.00 41.21 H new ATOM 0 HD2 PRO A 62 -0.381 4.070 9.438 1.00 62.31 H new ATOM 0 HD3 PRO A 62 -0.128 2.454 10.067 1.00 62.31 H new ATOM 1125 N HIS A 71 -1.005 12.642 6.096 1.00 11.34 N ATOM 1126 CA HIS A 71 -0.612 11.352 6.652 1.00 63.20 C ATOM 1127 C HIS A 71 0.566 10.744 5.904 1.00 43.51 C ATOM 1128 O HIS A 71 0.769 9.537 5.949 1.00 14.34 O ATOM 1129 CB HIS A 71 -1.791 10.381 6.682 1.00 4.32 C ATOM 1130 CG HIS A 71 -2.691 10.588 7.861 1.00 52.44 C ATOM 1131 ND1 HIS A 71 -2.229 10.655 9.156 1.00 24.41 N ATOM 1132 CD2 HIS A 71 -4.025 10.764 7.933 1.00 54.22 C ATOM 1133 CE1 HIS A 71 -3.243 10.861 9.973 1.00 3.24 C ATOM 1134 NE2 HIS A 71 -4.349 10.935 9.258 1.00 74.52 N ATOM 0 HA HIS A 71 -0.291 11.533 7.678 1.00 63.20 H new ATOM 0 HB2 HIS A 71 -2.370 10.494 5.766 1.00 4.32 H new ATOM 0 HB3 HIS A 71 -1.412 9.359 6.696 1.00 4.32 H new ATOM 0 HD2 HIS A 71 -4.714 10.770 7.101 1.00 54.22 H new ATOM 0 HE1 HIS A 71 -3.179 10.954 11.047 1.00 3.24 H new ATOM 0 HE2 HIS A 71 -5.287 11.093 9.626 1.00 74.52 H new ATOM 1143 N ASP A 72 1.308 11.579 5.189 1.00 71.52 N ATOM 1144 CA ASP A 72 2.492 11.145 4.431 1.00 45.20 C ATOM 1145 C ASP A 72 3.417 10.277 5.290 1.00 41.42 C ATOM 1146 O ASP A 72 4.074 9.365 4.785 1.00 61.02 O ATOM 1147 CB ASP A 72 3.295 12.357 3.946 1.00 23.52 C ATOM 1148 CG ASP A 72 2.437 13.576 3.690 1.00 52.50 C ATOM 1149 OD1 ASP A 72 2.009 14.211 4.679 1.00 4.30 O ATOM 1150 OD2 ASP A 72 2.202 13.912 2.511 1.00 72.03 O ATOM 0 H ASP A 72 1.113 12.577 5.113 1.00 71.52 H new ATOM 0 HA ASP A 72 2.131 10.565 3.582 1.00 45.20 H new ATOM 0 HB2 ASP A 72 4.053 12.604 4.689 1.00 23.52 H new ATOM 0 HB3 ASP A 72 3.822 12.092 3.029 1.00 23.52 H new ATOM 1155 N ASP A 73 3.446 10.563 6.590 1.00 14.23 N ATOM 1156 CA ASP A 73 4.340 9.878 7.524 1.00 34.44 C ATOM 1157 C ASP A 73 3.725 8.572 8.039 1.00 25.12 C ATOM 1158 O ASP A 73 4.335 7.847 8.825 1.00 23.12 O ATOM 1159 CB ASP A 73 4.665 10.812 8.696 1.00 1.11 C ATOM 1160 CG ASP A 73 5.560 10.171 9.737 1.00 42.32 C ATOM 1161 OD1 ASP A 73 6.721 9.843 9.413 1.00 73.31 O ATOM 1162 OD2 ASP A 73 5.109 10.003 10.891 1.00 32.44 O ATOM 0 H ASP A 73 2.855 11.271 7.025 1.00 14.23 H new ATOM 0 HA ASP A 73 5.257 9.620 6.995 1.00 34.44 H new ATOM 0 HB2 ASP A 73 5.149 11.711 8.313 1.00 1.11 H new ATOM 0 HB3 ASP A 73 3.735 11.128 9.170 1.00 1.11 H new ATOM 1167 N VAL A 74 2.530 8.262 7.575 1.00 41.11 N ATOM 1168 CA VAL A 74 1.895 6.999 7.907 1.00 15.44 C ATOM 1169 C VAL A 74 2.557 5.881 7.125 1.00 43.41 C ATOM 1170 O VAL A 74 2.617 5.923 5.894 1.00 60.43 O ATOM 1171 CB VAL A 74 0.375 7.023 7.615 1.00 15.01 C ATOM 1172 CG1 VAL A 74 -0.215 5.622 7.634 1.00 42.04 C ATOM 1173 CG2 VAL A 74 -0.339 7.903 8.626 1.00 21.10 C ATOM 0 H VAL A 74 1.978 8.867 6.967 1.00 41.11 H new ATOM 0 HA VAL A 74 2.019 6.829 8.977 1.00 15.44 H new ATOM 0 HB VAL A 74 0.232 7.435 6.616 1.00 15.01 H new ATOM 0 HG11 VAL A 74 -1.284 5.674 7.425 1.00 42.04 H new ATOM 0 HG12 VAL A 74 0.273 5.011 6.875 1.00 42.04 H new ATOM 0 HG13 VAL A 74 -0.058 5.175 8.616 1.00 42.04 H new ATOM 0 HG21 VAL A 74 -1.407 7.912 8.410 1.00 21.10 H new ATOM 0 HG22 VAL A 74 -0.175 7.511 9.630 1.00 21.10 H new ATOM 0 HG23 VAL A 74 0.052 8.919 8.565 1.00 21.10 H new ATOM 1183 N ASP A 75 3.093 4.916 7.850 1.00 71.02 N ATOM 1184 CA ASP A 75 3.762 3.780 7.242 1.00 2.42 C ATOM 1185 C ASP A 75 2.770 2.663 6.970 1.00 63.32 C ATOM 1186 O ASP A 75 2.116 2.159 7.884 1.00 44.51 O ATOM 1187 CB ASP A 75 4.887 3.256 8.144 1.00 12.21 C ATOM 1188 CG ASP A 75 6.028 4.241 8.311 1.00 34.20 C ATOM 1189 OD1 ASP A 75 5.850 5.263 9.009 1.00 21.44 O ATOM 1190 OD2 ASP A 75 7.116 3.994 7.750 1.00 11.24 O ATOM 0 H ASP A 75 3.077 4.897 8.870 1.00 71.02 H new ATOM 0 HA ASP A 75 4.196 4.115 6.300 1.00 2.42 H new ATOM 0 HB2 ASP A 75 4.476 3.017 9.125 1.00 12.21 H new ATOM 0 HB3 ASP A 75 5.276 2.327 7.726 1.00 12.21 H new ATOM 1195 N ILE A 76 2.658 2.291 5.712 1.00 34.23 N ATOM 1196 CA ILE A 76 1.822 1.178 5.317 1.00 22.23 C ATOM 1197 C ILE A 76 2.636 -0.102 5.446 1.00 51.34 C ATOM 1198 O ILE A 76 3.575 -0.338 4.683 1.00 61.41 O ATOM 1199 CB ILE A 76 1.287 1.329 3.865 1.00 62.34 C ATOM 1200 CG1 ILE A 76 0.340 2.535 3.730 1.00 51.20 C ATOM 1201 CG2 ILE A 76 0.571 0.059 3.427 1.00 65.40 C ATOM 1202 CD1 ILE A 76 1.013 3.884 3.854 1.00 24.43 C ATOM 0 H ILE A 76 3.141 2.749 4.939 1.00 34.23 H new ATOM 0 HA ILE A 76 0.950 1.149 5.971 1.00 22.23 H new ATOM 0 HB ILE A 76 2.147 1.501 3.217 1.00 62.34 H new ATOM 0 HG12 ILE A 76 -0.160 2.481 2.763 1.00 51.20 H new ATOM 0 HG13 ILE A 76 -0.434 2.459 4.493 1.00 51.20 H new ATOM 0 HG21 ILE A 76 0.203 0.182 2.408 1.00 65.40 H new ATOM 0 HG22 ILE A 76 1.265 -0.781 3.463 1.00 65.40 H new ATOM 0 HG23 ILE A 76 -0.268 -0.135 4.095 1.00 65.40 H new ATOM 0 HD11 ILE A 76 0.269 4.673 3.746 1.00 24.43 H new ATOM 0 HD12 ILE A 76 1.488 3.965 4.832 1.00 24.43 H new ATOM 0 HD13 ILE A 76 1.767 3.987 3.074 1.00 24.43 H new ATOM 1214 N ILE A 77 2.290 -0.900 6.436 1.00 21.00 N ATOM 1215 CA ILE A 77 3.066 -2.074 6.775 1.00 55.32 C ATOM 1216 C ILE A 77 2.492 -3.314 6.105 1.00 53.23 C ATOM 1217 O ILE A 77 1.296 -3.594 6.205 1.00 22.44 O ATOM 1218 CB ILE A 77 3.113 -2.275 8.304 1.00 65.05 C ATOM 1219 CG1 ILE A 77 3.632 -1.001 8.983 1.00 12.30 C ATOM 1220 CG2 ILE A 77 3.992 -3.469 8.658 1.00 55.33 C ATOM 1221 CD1 ILE A 77 3.589 -1.054 10.493 1.00 20.22 C ATOM 0 H ILE A 77 1.469 -0.754 7.024 1.00 21.00 H new ATOM 0 HA ILE A 77 4.082 -1.920 6.411 1.00 55.32 H new ATOM 0 HB ILE A 77 2.104 -2.477 8.665 1.00 65.05 H new ATOM 0 HG12 ILE A 77 4.659 -0.823 8.664 1.00 12.30 H new ATOM 0 HG13 ILE A 77 3.040 -0.152 8.642 1.00 12.30 H new ATOM 0 HG21 ILE A 77 4.014 -3.596 9.740 1.00 55.33 H new ATOM 0 HG22 ILE A 77 3.587 -4.369 8.195 1.00 55.33 H new ATOM 0 HG23 ILE A 77 5.004 -3.297 8.292 1.00 55.33 H new ATOM 0 HD11 ILE A 77 3.971 -0.118 10.901 1.00 20.22 H new ATOM 0 HD12 ILE A 77 2.560 -1.200 10.823 1.00 20.22 H new ATOM 0 HD13 ILE A 77 4.204 -1.882 10.846 1.00 20.22 H new ATOM 1233 N LEU A 78 3.354 -4.038 5.415 1.00 54.21 N ATOM 1234 CA LEU A 78 2.971 -5.270 4.757 1.00 62.05 C ATOM 1235 C LEU A 78 2.940 -6.403 5.776 1.00 42.11 C ATOM 1236 O LEU A 78 3.977 -6.826 6.284 1.00 62.33 O ATOM 1237 CB LEU A 78 3.964 -5.584 3.638 1.00 64.15 C ATOM 1238 CG LEU A 78 3.609 -6.783 2.760 1.00 13.04 C ATOM 1239 CD1 LEU A 78 2.352 -6.505 1.952 1.00 40.52 C ATOM 1240 CD2 LEU A 78 4.768 -7.118 1.840 1.00 61.32 C ATOM 0 H LEU A 78 4.336 -3.788 5.296 1.00 54.21 H new ATOM 0 HA LEU A 78 1.977 -5.161 4.322 1.00 62.05 H new ATOM 0 HB2 LEU A 78 4.057 -4.704 3.001 1.00 64.15 H new ATOM 0 HB3 LEU A 78 4.943 -5.760 4.084 1.00 64.15 H new ATOM 0 HG LEU A 78 3.415 -7.639 3.406 1.00 13.04 H new ATOM 0 HD11 LEU A 78 2.118 -7.372 1.334 1.00 40.52 H new ATOM 0 HD12 LEU A 78 1.521 -6.306 2.629 1.00 40.52 H new ATOM 0 HD13 LEU A 78 2.515 -5.637 1.313 1.00 40.52 H new ATOM 0 HD21 LEU A 78 4.504 -7.974 1.219 1.00 61.32 H new ATOM 0 HD22 LEU A 78 4.986 -6.261 1.203 1.00 61.32 H new ATOM 0 HD23 LEU A 78 5.648 -7.360 2.436 1.00 61.32 H new ATOM 1252 N LEU A 79 1.744 -6.878 6.073 1.00 20.11 N ATOM 1253 CA LEU A 79 1.553 -7.907 7.084 1.00 45.12 C ATOM 1254 C LEU A 79 1.693 -9.292 6.473 1.00 24.42 C ATOM 1255 O LEU A 79 2.175 -10.223 7.121 1.00 51.40 O ATOM 1256 CB LEU A 79 0.175 -7.769 7.729 1.00 63.21 C ATOM 1257 CG LEU A 79 -0.094 -6.427 8.414 1.00 40.10 C ATOM 1258 CD1 LEU A 79 -1.525 -6.374 8.923 1.00 63.31 C ATOM 1259 CD2 LEU A 79 0.887 -6.201 9.559 1.00 60.44 C ATOM 0 H LEU A 79 0.882 -6.566 5.625 1.00 20.11 H new ATOM 0 HA LEU A 79 2.321 -7.779 7.847 1.00 45.12 H new ATOM 0 HB2 LEU A 79 -0.584 -7.926 6.963 1.00 63.21 H new ATOM 0 HB3 LEU A 79 0.055 -8.564 8.464 1.00 63.21 H new ATOM 0 HG LEU A 79 0.046 -5.632 7.682 1.00 40.10 H new ATOM 0 HD11 LEU A 79 -1.703 -5.414 9.408 1.00 63.31 H new ATOM 0 HD12 LEU A 79 -2.213 -6.491 8.086 1.00 63.31 H new ATOM 0 HD13 LEU A 79 -1.686 -7.179 9.640 1.00 63.31 H new ATOM 0 HD21 LEU A 79 0.679 -5.242 10.033 1.00 60.44 H new ATOM 0 HD22 LEU A 79 0.779 -6.999 10.293 1.00 60.44 H new ATOM 0 HD23 LEU A 79 1.906 -6.200 9.171 1.00 60.44 H new ATOM 1271 N GLN A 80 1.273 -9.421 5.227 1.00 51.05 N ATOM 1272 CA GLN A 80 1.328 -10.696 4.537 1.00 24.31 C ATOM 1273 C GLN A 80 1.959 -10.529 3.165 1.00 70.43 C ATOM 1274 O GLN A 80 1.588 -9.638 2.403 1.00 72.53 O ATOM 1275 CB GLN A 80 -0.079 -11.282 4.390 1.00 33.15 C ATOM 1276 CG GLN A 80 -0.126 -12.561 3.568 1.00 20.20 C ATOM 1277 CD GLN A 80 -1.539 -13.033 3.300 1.00 53.12 C ATOM 1278 OE1 GLN A 80 -2.122 -12.564 2.207 1.00 31.23 O flip ATOM 1279 NE2 GLN A 80 -2.102 -13.808 4.066 1.00 33.22 N flip ATOM 0 H GLN A 80 0.889 -8.656 4.672 1.00 51.05 H new ATOM 0 HA GLN A 80 1.939 -11.379 5.127 1.00 24.31 H new ATOM 0 HB2 GLN A 80 -0.485 -11.483 5.382 1.00 33.15 H new ATOM 0 HB3 GLN A 80 -0.726 -10.538 3.925 1.00 33.15 H new ATOM 0 HG2 GLN A 80 0.384 -12.397 2.619 1.00 20.20 H new ATOM 0 HG3 GLN A 80 0.421 -13.345 4.092 1.00 20.20 H new ATOM 0 HE21 GLN A 80 -1.617 -14.146 4.897 1.00 33.22 H new ATOM 0 HE22 GLN A 80 -3.055 -14.115 3.872 1.00 33.22 H new ATOM 1288 N ASP A 81 2.900 -11.398 2.849 1.00 74.23 N ATOM 1289 CA ASP A 81 3.520 -11.398 1.539 1.00 43.43 C ATOM 1290 C ASP A 81 2.879 -12.464 0.673 1.00 63.44 C ATOM 1291 O ASP A 81 3.207 -13.645 0.794 1.00 44.41 O ATOM 1292 CB ASP A 81 5.027 -11.658 1.641 1.00 65.35 C ATOM 1293 CG ASP A 81 5.790 -10.523 2.297 1.00 33.51 C ATOM 1294 OD1 ASP A 81 5.652 -10.336 3.523 1.00 53.24 O ATOM 1295 OD2 ASP A 81 6.533 -9.815 1.585 1.00 1.25 O ATOM 0 H ASP A 81 3.252 -12.115 3.484 1.00 74.23 H new ATOM 0 HA ASP A 81 3.371 -10.416 1.090 1.00 43.43 H new ATOM 0 HB2 ASP A 81 5.193 -12.574 2.209 1.00 65.35 H new ATOM 0 HB3 ASP A 81 5.428 -11.826 0.641 1.00 65.35 H new