USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 734 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 30 LYS NZ :NH3+ -174:sc= 1.67 (180deg=1.62) USER MOD Set 1.2: A 34 MET CE :methyl 180:sc= -0.0262 (180deg=0) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.19 (180deg=-0.707) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.0622 (180deg=-0.0773) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.415 K(o=-0.42,f=-7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 121:sc= -0.051 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -148:sc= -1.81! (180deg=-2.51!) USER MOD Single : A 40 THR OG1 : rot 71:sc= 0.315 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 33:sc= 0.343 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0.00362 USER MOD Single : A 71 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.047) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 82 HIS : no HD1:sc=-0.00939 X(o=-0.0094,f=-0.0027) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.422 X(o=-0.42,f=-0.074) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HE2:sc= -0.161 K(o=-0.16,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.551 7.664 13.563 1.00 41.10 N ATOM 2 CA MET A 1 12.123 6.343 13.048 1.00 33.13 C ATOM 3 C MET A 1 11.917 6.407 11.547 1.00 51.12 C ATOM 4 O MET A 1 11.779 7.490 10.977 1.00 21.05 O ATOM 5 CB MET A 1 10.805 5.908 13.696 1.00 72.33 C ATOM 6 CG MET A 1 10.891 5.653 15.188 1.00 62.30 C ATOM 7 SD MET A 1 9.283 5.252 15.908 1.00 53.34 S ATOM 8 CE MET A 1 8.848 3.791 14.967 1.00 0.02 C ATOM 0 H1 MET A 1 13.450 7.562 14.076 1.00 41.10 H new ATOM 0 H2 MET A 1 12.679 8.322 12.768 1.00 41.10 H new ATOM 0 H3 MET A 1 11.825 8.037 14.207 1.00 41.10 H new ATOM 0 HA MET A 1 12.905 5.624 13.290 1.00 33.13 H new ATOM 0 HB2 MET A 1 10.054 6.677 13.515 1.00 72.33 H new ATOM 0 HB3 MET A 1 10.456 5.000 13.205 1.00 72.33 H new ATOM 0 HG2 MET A 1 11.585 4.834 15.375 1.00 62.30 H new ATOM 0 HG3 MET A 1 11.298 6.535 15.682 1.00 62.30 H new ATOM 0 HE1 MET A 1 8.088 3.225 15.505 1.00 0.02 H new ATOM 0 HE2 MET A 1 8.458 4.088 13.993 1.00 0.02 H new ATOM 0 HE3 MET A 1 9.733 3.170 14.829 1.00 0.02 H new ATOM 20 N THR A 2 11.912 5.249 10.907 1.00 52.21 N ATOM 21 CA THR A 2 11.459 5.160 9.536 1.00 41.23 C ATOM 22 C THR A 2 9.944 5.333 9.521 1.00 24.40 C ATOM 23 O THR A 2 9.414 6.211 8.837 1.00 34.41 O ATOM 24 CB THR A 2 11.838 3.804 8.907 1.00 33.43 C ATOM 25 OG1 THR A 2 13.246 3.577 9.051 1.00 32.12 O ATOM 26 CG2 THR A 2 11.462 3.760 7.432 1.00 1.23 C ATOM 0 H THR A 2 12.215 4.365 11.315 1.00 52.21 H new ATOM 0 HA THR A 2 11.941 5.941 8.948 1.00 41.23 H new ATOM 0 HB THR A 2 11.285 3.022 9.427 1.00 33.43 H new ATOM 0 HG1 THR A 2 13.481 2.714 8.651 1.00 32.12 H new ATOM 0 HG21 THR A 2 11.741 2.793 7.014 1.00 1.23 H new ATOM 0 HG22 THR A 2 10.387 3.905 7.326 1.00 1.23 H new ATOM 0 HG23 THR A 2 11.989 4.551 6.898 1.00 1.23 H new ATOM 34 N LYS A 3 9.276 4.511 10.338 1.00 11.15 N ATOM 35 CA LYS A 3 7.823 4.526 10.486 1.00 14.31 C ATOM 36 C LYS A 3 7.127 4.259 9.161 1.00 54.44 C ATOM 37 O LYS A 3 6.959 5.149 8.327 1.00 10.51 O ATOM 38 CB LYS A 3 7.335 5.834 11.116 1.00 73.15 C ATOM 39 CG LYS A 3 5.818 5.933 11.193 1.00 23.03 C ATOM 40 CD LYS A 3 5.363 6.895 12.276 1.00 71.32 C ATOM 41 CE LYS A 3 5.658 6.339 13.661 1.00 63.24 C ATOM 42 NZ LYS A 3 5.048 7.168 14.733 1.00 71.23 N ATOM 0 H LYS A 3 9.737 3.811 10.919 1.00 11.15 H new ATOM 0 HA LYS A 3 7.558 3.717 11.166 1.00 14.31 H new ATOM 0 HB2 LYS A 3 7.750 5.923 12.120 1.00 73.15 H new ATOM 0 HB3 LYS A 3 7.719 6.674 10.537 1.00 73.15 H new ATOM 0 HG2 LYS A 3 5.427 6.261 10.230 1.00 23.03 H new ATOM 0 HG3 LYS A 3 5.400 4.945 11.387 1.00 23.03 H new ATOM 0 HD2 LYS A 3 5.867 7.853 12.151 1.00 71.32 H new ATOM 0 HD3 LYS A 3 4.294 7.081 12.176 1.00 71.32 H new ATOM 0 HE2 LYS A 3 5.279 5.319 13.731 1.00 63.24 H new ATOM 0 HE3 LYS A 3 6.737 6.289 13.810 1.00 63.24 H new ATOM 0 HZ1 LYS A 3 5.272 6.755 15.661 1.00 71.23 H new ATOM 0 HZ2 LYS A 3 5.428 8.135 14.683 1.00 71.23 H new ATOM 0 HZ3 LYS A 3 4.016 7.195 14.606 1.00 71.23 H new ATOM 56 N GLY A 4 6.724 3.017 8.982 1.00 35.02 N ATOM 57 CA GLY A 4 6.100 2.618 7.750 1.00 42.25 C ATOM 58 C GLY A 4 6.731 1.373 7.187 1.00 33.14 C ATOM 59 O GLY A 4 7.876 1.398 6.734 1.00 55.25 O ATOM 0 H GLY A 4 6.820 2.274 9.674 1.00 35.02 H new ATOM 0 HA2 GLY A 4 5.038 2.443 7.920 1.00 42.25 H new ATOM 0 HA3 GLY A 4 6.178 3.427 7.023 1.00 42.25 H new ATOM 63 N ILE A 5 5.999 0.277 7.235 1.00 23.34 N ATOM 64 CA ILE A 5 6.459 -0.963 6.643 1.00 14.14 C ATOM 65 C ILE A 5 6.097 -0.962 5.170 1.00 64.05 C ATOM 66 O ILE A 5 5.324 -0.117 4.726 1.00 51.15 O ATOM 67 CB ILE A 5 5.840 -2.200 7.326 1.00 52.30 C ATOM 68 CG1 ILE A 5 4.309 -2.160 7.237 1.00 2.51 C ATOM 69 CG2 ILE A 5 6.297 -2.281 8.777 1.00 40.11 C ATOM 70 CD1 ILE A 5 3.632 -3.403 7.778 1.00 73.13 C ATOM 0 H ILE A 5 5.082 0.221 7.679 1.00 23.34 H new ATOM 0 HA ILE A 5 7.539 -1.025 6.778 1.00 14.14 H new ATOM 0 HB ILE A 5 6.182 -3.094 6.805 1.00 52.30 H new ATOM 0 HG12 ILE A 5 3.945 -1.291 7.786 1.00 2.51 H new ATOM 0 HG13 ILE A 5 4.018 -2.024 6.195 1.00 2.51 H new ATOM 0 HG21 ILE A 5 5.854 -3.158 9.250 1.00 40.11 H new ATOM 0 HG22 ILE A 5 7.384 -2.360 8.812 1.00 40.11 H new ATOM 0 HG23 ILE A 5 5.981 -1.384 9.309 1.00 40.11 H new ATOM 0 HD11 ILE A 5 2.551 -3.300 7.681 1.00 73.13 H new ATOM 0 HD12 ILE A 5 3.966 -4.274 7.214 1.00 73.13 H new ATOM 0 HD13 ILE A 5 3.891 -3.530 8.829 1.00 73.13 H new ATOM 82 N GLY A 6 6.643 -1.885 4.412 1.00 33.03 N ATOM 83 CA GLY A 6 6.340 -1.915 3.004 1.00 50.23 C ATOM 84 C GLY A 6 4.927 -2.386 2.763 1.00 45.45 C ATOM 85 O GLY A 6 4.406 -3.212 3.512 1.00 52.15 O ATOM 0 H GLY A 6 7.284 -2.608 4.738 1.00 33.03 H new ATOM 0 HA2 GLY A 6 6.473 -0.920 2.579 1.00 50.23 H new ATOM 0 HA3 GLY A 6 7.039 -2.576 2.492 1.00 50.23 H new ATOM 89 N LEU A 7 4.302 -1.860 1.724 1.00 0.20 N ATOM 90 CA LEU A 7 2.934 -2.219 1.391 1.00 63.53 C ATOM 91 C LEU A 7 2.859 -3.691 0.986 1.00 50.43 C ATOM 92 O LEU A 7 1.792 -4.304 0.998 1.00 24.15 O ATOM 93 CB LEU A 7 2.419 -1.314 0.269 1.00 64.51 C ATOM 94 CG LEU A 7 0.927 -1.429 -0.043 1.00 63.24 C ATOM 95 CD1 LEU A 7 0.097 -1.165 1.203 1.00 54.41 C ATOM 96 CD2 LEU A 7 0.553 -0.450 -1.141 1.00 13.23 C ATOM 0 H LEU A 7 4.723 -1.179 1.093 1.00 0.20 H new ATOM 0 HA LEU A 7 2.301 -2.077 2.267 1.00 63.53 H new ATOM 0 HB2 LEU A 7 2.638 -0.279 0.533 1.00 64.51 H new ATOM 0 HB3 LEU A 7 2.980 -1.537 -0.639 1.00 64.51 H new ATOM 0 HG LEU A 7 0.719 -2.443 -0.384 1.00 63.24 H new ATOM 0 HD11 LEU A 7 -0.962 -1.252 0.960 1.00 54.41 H new ATOM 0 HD12 LEU A 7 0.353 -1.894 1.972 1.00 54.41 H new ATOM 0 HD13 LEU A 7 0.304 -0.160 1.572 1.00 54.41 H new ATOM 0 HD21 LEU A 7 -0.511 -0.537 -1.359 1.00 13.23 H new ATOM 0 HD22 LEU A 7 0.775 0.566 -0.814 1.00 13.23 H new ATOM 0 HD23 LEU A 7 1.127 -0.675 -2.040 1.00 13.23 H new ATOM 108 N ASN A 8 4.013 -4.257 0.652 1.00 62.33 N ATOM 109 CA ASN A 8 4.113 -5.675 0.334 1.00 52.23 C ATOM 110 C ASN A 8 4.072 -6.509 1.610 1.00 42.24 C ATOM 111 O ASN A 8 3.753 -7.696 1.577 1.00 21.42 O ATOM 112 CB ASN A 8 5.405 -5.977 -0.446 1.00 44.34 C ATOM 113 CG ASN A 8 6.676 -5.619 0.315 1.00 74.52 C ATOM 114 OD1 ASN A 8 6.709 -4.662 1.086 1.00 11.52 O ATOM 115 ND2 ASN A 8 7.733 -6.387 0.108 1.00 51.44 N ATOM 0 H ASN A 8 4.897 -3.751 0.594 1.00 62.33 H new ATOM 0 HA ASN A 8 3.262 -5.939 -0.293 1.00 52.23 H new ATOM 0 HB2 ASN A 8 5.428 -7.038 -0.697 1.00 44.34 H new ATOM 0 HB3 ASN A 8 5.388 -5.427 -1.387 1.00 44.34 H new ATOM 0 HD21 ASN A 8 8.608 -6.192 0.595 1.00 51.44 H new ATOM 0 HD22 ASN A 8 7.673 -7.174 -0.538 1.00 51.44 H new ATOM 122 N GLU A 9 4.380 -5.874 2.735 1.00 15.32 N ATOM 123 CA GLU A 9 4.433 -6.555 4.014 1.00 40.24 C ATOM 124 C GLU A 9 3.065 -6.533 4.689 1.00 64.43 C ATOM 125 O GLU A 9 2.838 -7.222 5.686 1.00 62.10 O ATOM 126 CB GLU A 9 5.479 -5.885 4.907 1.00 22.52 C ATOM 127 CG GLU A 9 6.857 -5.812 4.272 1.00 51.12 C ATOM 128 CD GLU A 9 7.912 -5.236 5.200 1.00 70.44 C ATOM 129 OE1 GLU A 9 8.074 -3.997 5.240 1.00 45.54 O ATOM 130 OE2 GLU A 9 8.601 -6.025 5.882 1.00 50.14 O ATOM 0 H GLU A 9 4.598 -4.879 2.782 1.00 15.32 H new ATOM 0 HA GLU A 9 4.715 -7.595 3.851 1.00 40.24 H new ATOM 0 HB2 GLU A 9 5.145 -4.876 5.151 1.00 22.52 H new ATOM 0 HB3 GLU A 9 5.549 -6.433 5.847 1.00 22.52 H new ATOM 0 HG2 GLU A 9 7.161 -6.812 3.963 1.00 51.12 H new ATOM 0 HG3 GLU A 9 6.803 -5.202 3.370 1.00 51.12 H new ATOM 137 N VAL A 10 2.157 -5.739 4.134 1.00 1.35 N ATOM 138 CA VAL A 10 0.802 -5.627 4.658 1.00 61.04 C ATOM 139 C VAL A 10 -0.074 -6.751 4.096 1.00 2.34 C ATOM 140 O VAL A 10 0.260 -7.361 3.074 1.00 43.12 O ATOM 141 CB VAL A 10 0.182 -4.252 4.306 1.00 71.41 C ATOM 142 CG1 VAL A 10 -1.131 -4.024 5.041 1.00 72.31 C ATOM 143 CG2 VAL A 10 1.159 -3.129 4.613 1.00 40.33 C ATOM 0 H VAL A 10 2.337 -5.159 3.315 1.00 1.35 H new ATOM 0 HA VAL A 10 0.850 -5.715 5.743 1.00 61.04 H new ATOM 0 HB VAL A 10 -0.029 -4.253 3.237 1.00 71.41 H new ATOM 0 HG11 VAL A 10 -1.536 -3.049 4.769 1.00 72.31 H new ATOM 0 HG12 VAL A 10 -1.842 -4.802 4.765 1.00 72.31 H new ATOM 0 HG13 VAL A 10 -0.956 -4.057 6.116 1.00 72.31 H new ATOM 0 HG21 VAL A 10 0.704 -2.172 4.359 1.00 40.33 H new ATOM 0 HG22 VAL A 10 1.407 -3.142 5.674 1.00 40.33 H new ATOM 0 HG23 VAL A 10 2.067 -3.266 4.026 1.00 40.33 H new ATOM 153 N GLU A 11 -1.187 -7.027 4.763 1.00 45.34 N ATOM 154 CA GLU A 11 -2.069 -8.110 4.356 1.00 22.52 C ATOM 155 C GLU A 11 -3.482 -7.576 4.084 1.00 62.52 C ATOM 156 O GLU A 11 -3.714 -6.368 4.119 1.00 62.23 O ATOM 157 CB GLU A 11 -2.083 -9.206 5.428 1.00 23.10 C ATOM 158 CG GLU A 11 -2.610 -10.545 4.931 1.00 42.43 C ATOM 159 CD GLU A 11 -2.515 -11.642 5.968 1.00 11.34 C ATOM 160 OE1 GLU A 11 -3.308 -11.623 6.930 1.00 11.32 O ATOM 161 OE2 GLU A 11 -1.660 -12.541 5.814 1.00 63.22 O ATOM 0 H GLU A 11 -1.499 -6.515 5.588 1.00 45.34 H new ATOM 0 HA GLU A 11 -1.695 -8.546 3.430 1.00 22.52 H new ATOM 0 HB2 GLU A 11 -1.070 -9.343 5.808 1.00 23.10 H new ATOM 0 HB3 GLU A 11 -2.695 -8.874 6.266 1.00 23.10 H new ATOM 0 HG2 GLU A 11 -3.651 -10.429 4.628 1.00 42.43 H new ATOM 0 HG3 GLU A 11 -2.051 -10.842 4.044 1.00 42.43 H new ATOM 168 N ILE A 12 -4.416 -8.486 3.832 1.00 71.44 N ATOM 169 CA ILE A 12 -5.751 -8.142 3.353 1.00 10.31 C ATOM 170 C ILE A 12 -6.604 -7.419 4.401 1.00 2.22 C ATOM 171 O ILE A 12 -6.389 -7.553 5.611 1.00 35.20 O ATOM 172 CB ILE A 12 -6.508 -9.407 2.893 1.00 51.43 C ATOM 173 CG1 ILE A 12 -6.731 -10.360 4.074 1.00 60.04 C ATOM 174 CG2 ILE A 12 -5.739 -10.109 1.782 1.00 33.14 C ATOM 175 CD1 ILE A 12 -7.564 -11.577 3.729 1.00 73.44 C ATOM 0 H ILE A 12 -4.269 -9.488 3.955 1.00 71.44 H new ATOM 0 HA ILE A 12 -5.596 -7.460 2.517 1.00 10.31 H new ATOM 0 HB ILE A 12 -7.481 -9.106 2.506 1.00 51.43 H new ATOM 0 HG12 ILE A 12 -5.763 -10.689 4.451 1.00 60.04 H new ATOM 0 HG13 ILE A 12 -7.219 -9.815 4.882 1.00 60.04 H new ATOM 0 HG21 ILE A 12 -6.285 -10.999 1.468 1.00 33.14 H new ATOM 0 HG22 ILE A 12 -5.627 -9.434 0.934 1.00 33.14 H new ATOM 0 HG23 ILE A 12 -4.754 -10.398 2.148 1.00 33.14 H new ATOM 0 HD11 ILE A 12 -7.678 -12.203 4.614 1.00 73.44 H new ATOM 0 HD12 ILE A 12 -8.547 -11.259 3.381 1.00 73.44 H new ATOM 0 HD13 ILE A 12 -7.068 -12.147 2.943 1.00 73.44 H new ATOM 187 N LYS A 13 -7.557 -6.630 3.894 1.00 34.03 N ATOM 188 CA LYS A 13 -8.611 -6.004 4.696 1.00 74.44 C ATOM 189 C LYS A 13 -8.072 -5.077 5.781 1.00 43.40 C ATOM 190 O LYS A 13 -8.765 -4.779 6.753 1.00 4.05 O ATOM 191 CB LYS A 13 -9.522 -7.072 5.305 1.00 33.51 C ATOM 192 CG LYS A 13 -10.335 -7.821 4.261 1.00 64.01 C ATOM 193 CD LYS A 13 -11.406 -8.686 4.899 1.00 44.13 C ATOM 194 CE LYS A 13 -12.321 -9.296 3.847 1.00 74.55 C ATOM 195 NZ LYS A 13 -13.475 -10.002 4.459 1.00 64.41 N ATOM 0 H LYS A 13 -7.618 -6.406 2.901 1.00 34.03 H new ATOM 0 HA LYS A 13 -9.189 -5.378 4.016 1.00 74.44 H new ATOM 0 HB2 LYS A 13 -8.915 -7.784 5.865 1.00 33.51 H new ATOM 0 HB3 LYS A 13 -10.200 -6.601 6.017 1.00 33.51 H new ATOM 0 HG2 LYS A 13 -10.801 -7.107 3.581 1.00 64.01 H new ATOM 0 HG3 LYS A 13 -9.672 -8.445 3.662 1.00 64.01 H new ATOM 0 HD2 LYS A 13 -10.937 -9.480 5.481 1.00 44.13 H new ATOM 0 HD3 LYS A 13 -11.995 -8.087 5.593 1.00 44.13 H new ATOM 0 HE2 LYS A 13 -12.686 -8.511 3.184 1.00 74.55 H new ATOM 0 HE3 LYS A 13 -11.753 -9.994 3.232 1.00 74.55 H new ATOM 0 HZ1 LYS A 13 -14.074 -10.403 3.709 1.00 64.41 H new ATOM 0 HZ2 LYS A 13 -13.128 -10.767 5.072 1.00 64.41 H new ATOM 0 HZ3 LYS A 13 -14.032 -9.331 5.025 1.00 64.41 H new ATOM 209 N SER A 14 -6.856 -4.599 5.601 1.00 54.32 N ATOM 210 CA SER A 14 -6.290 -3.627 6.514 1.00 25.20 C ATOM 211 C SER A 14 -6.304 -2.252 5.862 1.00 44.13 C ATOM 212 O SER A 14 -6.342 -2.143 4.639 1.00 32.21 O ATOM 213 CB SER A 14 -4.864 -4.030 6.886 1.00 25.21 C ATOM 214 OG SER A 14 -4.824 -5.369 7.354 1.00 10.22 O ATOM 0 H SER A 14 -6.242 -4.868 4.832 1.00 54.32 H new ATOM 0 HA SER A 14 -6.887 -3.592 7.426 1.00 25.20 H new ATOM 0 HB2 SER A 14 -4.213 -3.924 6.018 1.00 25.21 H new ATOM 0 HB3 SER A 14 -4.481 -3.360 7.655 1.00 25.21 H new ATOM 0 HG SER A 14 -3.902 -5.607 7.585 1.00 10.22 H new ATOM 220 N LYS A 15 -6.308 -1.200 6.662 1.00 65.14 N ATOM 221 CA LYS A 15 -6.211 0.135 6.118 1.00 14.24 C ATOM 222 C LYS A 15 -4.912 0.786 6.566 1.00 41.32 C ATOM 223 O LYS A 15 -4.510 0.672 7.727 1.00 61.40 O ATOM 224 CB LYS A 15 -7.418 0.992 6.511 1.00 72.04 C ATOM 225 CG LYS A 15 -7.540 1.276 7.996 1.00 63.12 C ATOM 226 CD LYS A 15 -8.628 2.304 8.265 1.00 22.42 C ATOM 227 CE LYS A 15 -10.011 1.771 7.914 1.00 53.24 C ATOM 228 NZ LYS A 15 -11.055 2.835 7.966 1.00 3.42 N ATOM 0 H LYS A 15 -6.377 -1.247 7.679 1.00 65.14 H new ATOM 0 HA LYS A 15 -6.210 0.060 5.031 1.00 14.24 H new ATOM 0 HB2 LYS A 15 -7.361 1.941 5.977 1.00 72.04 H new ATOM 0 HB3 LYS A 15 -8.326 0.491 6.175 1.00 72.04 H new ATOM 0 HG2 LYS A 15 -7.767 0.353 8.529 1.00 63.12 H new ATOM 0 HG3 LYS A 15 -6.587 1.640 8.380 1.00 63.12 H new ATOM 0 HD2 LYS A 15 -8.605 2.590 9.316 1.00 22.42 H new ATOM 0 HD3 LYS A 15 -8.428 3.205 7.685 1.00 22.42 H new ATOM 0 HE2 LYS A 15 -9.988 1.336 6.915 1.00 53.24 H new ATOM 0 HE3 LYS A 15 -10.276 0.970 8.605 1.00 53.24 H new ATOM 0 HZ1 LYS A 15 -11.979 2.427 7.720 1.00 3.42 H new ATOM 0 HZ2 LYS A 15 -11.097 3.234 8.926 1.00 3.42 H new ATOM 0 HZ3 LYS A 15 -10.818 3.588 7.289 1.00 3.42 H new ATOM 242 N VAL A 16 -4.255 1.450 5.636 1.00 45.13 N ATOM 243 CA VAL A 16 -2.948 2.037 5.877 1.00 54.34 C ATOM 244 C VAL A 16 -2.853 3.396 5.207 1.00 14.22 C ATOM 245 O VAL A 16 -3.806 3.852 4.577 1.00 31.33 O ATOM 246 CB VAL A 16 -1.807 1.133 5.349 1.00 41.03 C ATOM 247 CG1 VAL A 16 -1.738 -0.176 6.125 1.00 2.11 C ATOM 248 CG2 VAL A 16 -1.982 0.856 3.863 1.00 72.45 C ATOM 0 H VAL A 16 -4.610 1.599 4.692 1.00 45.13 H new ATOM 0 HA VAL A 16 -2.834 2.142 6.956 1.00 54.34 H new ATOM 0 HB VAL A 16 -0.868 1.666 5.496 1.00 41.03 H new ATOM 0 HG11 VAL A 16 -0.928 -0.790 5.732 1.00 2.11 H new ATOM 0 HG12 VAL A 16 -1.555 0.035 7.179 1.00 2.11 H new ATOM 0 HG13 VAL A 16 -2.682 -0.711 6.021 1.00 2.11 H new ATOM 0 HG21 VAL A 16 -1.169 0.219 3.513 1.00 72.45 H new ATOM 0 HG22 VAL A 16 -2.935 0.353 3.696 1.00 72.45 H new ATOM 0 HG23 VAL A 16 -1.968 1.797 3.313 1.00 72.45 H new ATOM 258 N LYS A 17 -1.709 4.035 5.342 1.00 43.03 N ATOM 259 CA LYS A 17 -1.497 5.347 4.764 1.00 5.20 C ATOM 260 C LYS A 17 -0.040 5.514 4.390 1.00 54.04 C ATOM 261 O LYS A 17 0.844 4.983 5.065 1.00 54.15 O ATOM 262 CB LYS A 17 -1.918 6.415 5.763 1.00 42.11 C ATOM 263 CG LYS A 17 -1.803 7.841 5.256 1.00 73.45 C ATOM 264 CD LYS A 17 -2.375 8.820 6.265 1.00 44.13 C ATOM 265 CE LYS A 17 -2.488 10.220 5.691 1.00 5.01 C ATOM 266 NZ LYS A 17 -3.108 11.165 6.654 1.00 44.41 N ATOM 0 H LYS A 17 -0.906 3.664 5.851 1.00 43.03 H new ATOM 0 HA LYS A 17 -2.100 5.451 3.862 1.00 5.20 H new ATOM 0 HB2 LYS A 17 -2.951 6.231 6.057 1.00 42.11 H new ATOM 0 HB3 LYS A 17 -1.309 6.313 6.661 1.00 42.11 H new ATOM 0 HG2 LYS A 17 -0.757 8.080 5.063 1.00 73.45 H new ATOM 0 HG3 LYS A 17 -2.332 7.938 4.308 1.00 73.45 H new ATOM 0 HD2 LYS A 17 -3.359 8.478 6.585 1.00 44.13 H new ATOM 0 HD3 LYS A 17 -1.741 8.841 7.151 1.00 44.13 H new ATOM 0 HE2 LYS A 17 -1.497 10.581 5.416 1.00 5.01 H new ATOM 0 HE3 LYS A 17 -3.082 10.191 4.777 1.00 5.01 H new ATOM 0 HZ1 LYS A 17 -3.167 12.110 6.224 1.00 44.41 H new ATOM 0 HZ2 LYS A 17 -4.064 10.835 6.898 1.00 44.41 H new ATOM 0 HZ3 LYS A 17 -2.528 11.213 7.516 1.00 44.41 H new ATOM 280 N VAL A 18 0.204 6.243 3.316 1.00 22.23 N ATOM 281 CA VAL A 18 1.559 6.447 2.832 1.00 62.12 C ATOM 282 C VAL A 18 2.298 7.420 3.738 1.00 14.43 C ATOM 283 O VAL A 18 2.191 8.641 3.589 1.00 23.45 O ATOM 284 CB VAL A 18 1.588 6.968 1.380 1.00 0.42 C ATOM 285 CG1 VAL A 18 3.018 7.016 0.852 1.00 71.14 C ATOM 286 CG2 VAL A 18 0.716 6.108 0.482 1.00 41.41 C ATOM 0 H VAL A 18 -0.518 6.704 2.762 1.00 22.23 H new ATOM 0 HA VAL A 18 2.055 5.477 2.846 1.00 62.12 H new ATOM 0 HB VAL A 18 1.188 7.982 1.376 1.00 0.42 H new ATOM 0 HG11 VAL A 18 3.015 7.386 -0.173 1.00 71.14 H new ATOM 0 HG12 VAL A 18 3.614 7.681 1.476 1.00 71.14 H new ATOM 0 HG13 VAL A 18 3.448 6.015 0.875 1.00 71.14 H new ATOM 0 HG21 VAL A 18 0.751 6.494 -0.537 1.00 41.41 H new ATOM 0 HG22 VAL A 18 1.082 5.081 0.494 1.00 41.41 H new ATOM 0 HG23 VAL A 18 -0.312 6.131 0.843 1.00 41.41 H new ATOM 296 N ILE A 19 3.002 6.866 4.707 1.00 61.41 N ATOM 297 CA ILE A 19 3.777 7.655 5.646 1.00 12.31 C ATOM 298 C ILE A 19 5.119 8.038 5.033 1.00 21.43 C ATOM 299 O ILE A 19 5.601 9.162 5.205 1.00 53.25 O ATOM 300 CB ILE A 19 4.016 6.877 6.956 1.00 64.12 C ATOM 301 CG1 ILE A 19 2.688 6.371 7.534 1.00 1.34 C ATOM 302 CG2 ILE A 19 4.745 7.745 7.975 1.00 75.54 C ATOM 303 CD1 ILE A 19 1.728 7.475 7.930 1.00 42.00 C ATOM 0 H ILE A 19 3.053 5.860 4.865 1.00 61.41 H new ATOM 0 HA ILE A 19 3.209 8.558 5.872 1.00 12.31 H new ATOM 0 HB ILE A 19 4.644 6.015 6.729 1.00 64.12 H new ATOM 0 HG12 ILE A 19 2.204 5.729 6.798 1.00 1.34 H new ATOM 0 HG13 ILE A 19 2.896 5.753 8.408 1.00 1.34 H new ATOM 0 HG21 ILE A 19 4.903 7.176 8.891 1.00 75.54 H new ATOM 0 HG22 ILE A 19 5.708 8.052 7.568 1.00 75.54 H new ATOM 0 HG23 ILE A 19 4.146 8.628 8.195 1.00 75.54 H new ATOM 0 HD11 ILE A 19 0.814 7.036 8.329 1.00 42.00 H new ATOM 0 HD12 ILE A 19 2.191 8.104 8.690 1.00 42.00 H new ATOM 0 HD13 ILE A 19 1.488 8.080 7.055 1.00 42.00 H new ATOM 315 N GLY A 20 5.708 7.107 4.298 1.00 64.53 N ATOM 316 CA GLY A 20 6.994 7.355 3.692 1.00 44.12 C ATOM 317 C GLY A 20 7.130 6.727 2.325 1.00 5.02 C ATOM 318 O GLY A 20 6.294 5.925 1.902 1.00 10.22 O ATOM 0 H GLY A 20 5.316 6.184 4.112 1.00 64.53 H new ATOM 0 HA2 GLY A 20 7.150 8.431 3.609 1.00 44.12 H new ATOM 0 HA3 GLY A 20 7.778 6.969 4.344 1.00 44.12 H new ATOM 322 N ILE A 21 8.193 7.097 1.639 1.00 14.32 N ATOM 323 CA ILE A 21 8.486 6.595 0.308 1.00 34.32 C ATOM 324 C ILE A 21 9.976 6.269 0.227 1.00 53.24 C ATOM 325 O ILE A 21 10.769 6.824 0.987 1.00 62.02 O ATOM 326 CB ILE A 21 8.097 7.638 -0.775 1.00 4.32 C ATOM 327 CG1 ILE A 21 6.586 7.903 -0.743 1.00 21.04 C ATOM 328 CG2 ILE A 21 8.520 7.180 -2.167 1.00 73.21 C ATOM 329 CD1 ILE A 21 6.120 8.927 -1.758 1.00 4.12 C ATOM 0 H ILE A 21 8.884 7.760 1.991 1.00 14.32 H new ATOM 0 HA ILE A 21 7.900 5.695 0.122 1.00 34.32 H new ATOM 0 HB ILE A 21 8.626 8.564 -0.550 1.00 4.32 H new ATOM 0 HG12 ILE A 21 6.059 6.965 -0.919 1.00 21.04 H new ATOM 0 HG13 ILE A 21 6.308 8.242 0.255 1.00 21.04 H new ATOM 0 HG21 ILE A 21 8.233 7.933 -2.901 1.00 73.21 H new ATOM 0 HG22 ILE A 21 9.601 7.043 -2.192 1.00 73.21 H new ATOM 0 HG23 ILE A 21 8.029 6.236 -2.404 1.00 73.21 H new ATOM 0 HD11 ILE A 21 5.041 9.059 -1.673 1.00 4.12 H new ATOM 0 HD12 ILE A 21 6.618 9.878 -1.570 1.00 4.12 H new ATOM 0 HD13 ILE A 21 6.365 8.581 -2.762 1.00 4.12 H new ATOM 341 N VAL A 22 10.354 5.366 -0.668 1.00 23.41 N ATOM 342 CA VAL A 22 11.747 4.970 -0.820 1.00 40.12 C ATOM 343 C VAL A 22 12.362 5.628 -2.060 1.00 52.21 C ATOM 344 O VAL A 22 12.235 5.119 -3.174 1.00 13.14 O ATOM 345 CB VAL A 22 11.916 3.440 -0.904 1.00 13.34 C ATOM 346 CG1 VAL A 22 13.386 3.065 -0.836 1.00 1.24 C ATOM 347 CG2 VAL A 22 11.136 2.747 0.202 1.00 20.10 C ATOM 0 H VAL A 22 9.711 4.892 -1.303 1.00 23.41 H new ATOM 0 HA VAL A 22 12.271 5.312 0.072 1.00 40.12 H new ATOM 0 HB VAL A 22 11.516 3.105 -1.861 1.00 13.34 H new ATOM 0 HG11 VAL A 22 13.488 1.981 -0.897 1.00 1.24 H new ATOM 0 HG12 VAL A 22 13.918 3.527 -1.668 1.00 1.24 H new ATOM 0 HG13 VAL A 22 13.808 3.417 0.105 1.00 1.24 H new ATOM 0 HG21 VAL A 22 11.271 1.668 0.122 1.00 20.10 H new ATOM 0 HG22 VAL A 22 11.500 3.087 1.172 1.00 20.10 H new ATOM 0 HG23 VAL A 22 10.077 2.988 0.107 1.00 20.10 H new ATOM 357 N PRO A 23 12.972 6.816 -1.884 1.00 44.31 N ATOM 358 CA PRO A 23 13.532 7.609 -2.988 1.00 14.14 C ATOM 359 C PRO A 23 14.607 6.862 -3.775 1.00 11.00 C ATOM 360 O PRO A 23 15.030 5.772 -3.387 1.00 3.50 O ATOM 361 CB PRO A 23 14.150 8.825 -2.287 1.00 62.31 C ATOM 362 CG PRO A 23 13.486 8.886 -0.958 1.00 73.31 C ATOM 363 CD PRO A 23 13.204 7.462 -0.584 1.00 63.44 C ATOM 0 HA PRO A 23 12.764 7.858 -3.721 1.00 14.14 H new ATOM 0 HB2 PRO A 23 15.229 8.714 -2.183 1.00 62.31 H new ATOM 0 HB3 PRO A 23 13.977 9.738 -2.856 1.00 62.31 H new ATOM 0 HG2 PRO A 23 14.129 9.365 -0.220 1.00 73.31 H new ATOM 0 HG3 PRO A 23 12.566 9.469 -1.006 1.00 73.31 H new ATOM 0 HD2 PRO A 23 14.043 7.011 -0.054 1.00 63.44 H new ATOM 0 HD3 PRO A 23 12.334 7.381 0.068 1.00 63.44 H new ATOM 371 N GLU A 24 15.049 7.474 -4.877 1.00 70.35 N ATOM 372 CA GLU A 24 16.047 6.890 -5.763 1.00 32.21 C ATOM 373 C GLU A 24 15.566 5.560 -6.342 1.00 42.20 C ATOM 374 O GLU A 24 16.367 4.705 -6.718 1.00 72.01 O ATOM 375 CB GLU A 24 17.368 6.701 -5.023 1.00 43.22 C ATOM 376 CG GLU A 24 17.904 7.976 -4.387 1.00 2.33 C ATOM 377 CD GLU A 24 19.251 7.768 -3.726 1.00 1.12 C ATOM 378 OE1 GLU A 24 20.282 7.876 -4.424 1.00 64.12 O ATOM 379 OE2 GLU A 24 19.289 7.490 -2.506 1.00 4.03 O ATOM 0 H GLU A 24 14.720 8.392 -5.177 1.00 70.35 H new ATOM 0 HA GLU A 24 16.203 7.579 -6.593 1.00 32.21 H new ATOM 0 HB2 GLU A 24 17.234 5.947 -4.247 1.00 43.22 H new ATOM 0 HB3 GLU A 24 18.111 6.313 -5.719 1.00 43.22 H new ATOM 0 HG2 GLU A 24 17.992 8.750 -5.149 1.00 2.33 H new ATOM 0 HG3 GLU A 24 17.191 8.337 -3.646 1.00 2.33 H new ATOM 386 N SER A 25 14.255 5.402 -6.434 1.00 53.00 N ATOM 387 CA SER A 25 13.670 4.183 -6.959 1.00 24.10 C ATOM 388 C SER A 25 13.161 4.406 -8.378 1.00 72.13 C ATOM 389 O SER A 25 12.630 5.474 -8.692 1.00 3.32 O ATOM 390 CB SER A 25 12.515 3.734 -6.064 1.00 23.00 C ATOM 391 OG SER A 25 12.065 2.440 -6.409 1.00 35.40 O ATOM 0 H SER A 25 13.575 6.107 -6.150 1.00 53.00 H new ATOM 0 HA SER A 25 14.437 3.409 -6.977 1.00 24.10 H new ATOM 0 HB2 SER A 25 12.836 3.743 -5.022 1.00 23.00 H new ATOM 0 HB3 SER A 25 11.691 4.442 -6.150 1.00 23.00 H new ATOM 0 HG SER A 25 12.157 1.845 -5.636 1.00 35.40 H new ATOM 397 N LYS A 26 13.312 3.402 -9.230 1.00 62.44 N ATOM 398 CA LYS A 26 12.809 3.489 -10.594 1.00 31.35 C ATOM 399 C LYS A 26 11.309 3.232 -10.619 1.00 63.50 C ATOM 400 O LYS A 26 10.597 3.726 -11.496 1.00 24.32 O ATOM 401 CB LYS A 26 13.528 2.508 -11.531 1.00 23.14 C ATOM 402 CG LYS A 26 14.943 2.932 -11.908 1.00 34.03 C ATOM 403 CD LYS A 26 15.931 2.701 -10.778 1.00 22.11 C ATOM 404 CE LYS A 26 17.305 3.260 -11.117 1.00 35.14 C ATOM 405 NZ LYS A 26 18.334 2.859 -10.119 1.00 64.33 N ATOM 0 H LYS A 26 13.776 2.522 -9.003 1.00 62.44 H new ATOM 0 HA LYS A 26 13.009 4.498 -10.954 1.00 31.35 H new ATOM 0 HB2 LYS A 26 13.569 1.529 -11.053 1.00 23.14 H new ATOM 0 HB3 LYS A 26 12.939 2.394 -12.441 1.00 23.14 H new ATOM 0 HG2 LYS A 26 15.265 2.376 -12.789 1.00 34.03 H new ATOM 0 HG3 LYS A 26 14.944 3.988 -12.179 1.00 34.03 H new ATOM 0 HD2 LYS A 26 15.560 3.171 -9.867 1.00 22.11 H new ATOM 0 HD3 LYS A 26 16.011 1.633 -10.576 1.00 22.11 H new ATOM 0 HE2 LYS A 26 17.604 2.911 -12.106 1.00 35.14 H new ATOM 0 HE3 LYS A 26 17.252 4.348 -11.165 1.00 35.14 H new ATOM 0 HZ1 LYS A 26 19.254 3.261 -10.389 1.00 64.33 H new ATOM 0 HZ2 LYS A 26 18.063 3.213 -9.180 1.00 64.33 H new ATOM 0 HZ3 LYS A 26 18.404 1.822 -10.091 1.00 64.33 H new ATOM 419 N VAL A 27 10.826 2.470 -9.644 1.00 31.24 N ATOM 420 CA VAL A 27 9.400 2.201 -9.544 1.00 35.41 C ATOM 421 C VAL A 27 8.693 3.323 -8.788 1.00 65.42 C ATOM 422 O VAL A 27 7.479 3.490 -8.909 1.00 23.11 O ATOM 423 CB VAL A 27 9.095 0.840 -8.874 1.00 50.34 C ATOM 424 CG1 VAL A 27 9.705 -0.300 -9.677 1.00 65.33 C ATOM 425 CG2 VAL A 27 9.587 0.807 -7.439 1.00 53.21 C ATOM 0 H VAL A 27 11.395 2.033 -8.920 1.00 31.24 H new ATOM 0 HA VAL A 27 9.020 2.153 -10.564 1.00 35.41 H new ATOM 0 HB VAL A 27 8.013 0.712 -8.857 1.00 50.34 H new ATOM 0 HG11 VAL A 27 9.480 -1.249 -9.190 1.00 65.33 H new ATOM 0 HG12 VAL A 27 9.287 -0.300 -10.684 1.00 65.33 H new ATOM 0 HG13 VAL A 27 10.786 -0.168 -9.733 1.00 65.33 H new ATOM 0 HG21 VAL A 27 9.357 -0.163 -6.998 1.00 53.21 H new ATOM 0 HG22 VAL A 27 10.665 0.968 -7.420 1.00 53.21 H new ATOM 0 HG23 VAL A 27 9.093 1.592 -6.867 1.00 53.21 H new ATOM 435 N ARG A 28 9.463 4.097 -8.014 1.00 11.03 N ATOM 436 CA ARG A 28 8.934 5.281 -7.337 1.00 55.41 C ATOM 437 C ARG A 28 8.258 6.218 -8.339 1.00 72.43 C ATOM 438 O ARG A 28 7.257 6.864 -8.022 1.00 63.14 O ATOM 439 CB ARG A 28 10.058 6.011 -6.589 1.00 21.23 C ATOM 440 CG ARG A 28 9.619 7.291 -5.892 1.00 5.12 C ATOM 441 CD ARG A 28 10.143 8.527 -6.607 1.00 75.32 C ATOM 442 NE ARG A 28 9.600 9.760 -6.040 1.00 74.51 N ATOM 443 CZ ARG A 28 10.219 10.938 -6.074 1.00 52.45 C ATOM 444 NH1 ARG A 28 11.426 11.047 -6.609 1.00 15.13 N ATOM 445 NH2 ARG A 28 9.628 12.008 -5.562 1.00 61.44 N ATOM 0 H ARG A 28 10.453 3.923 -7.843 1.00 11.03 H new ATOM 0 HA ARG A 28 8.185 4.961 -6.613 1.00 55.41 H new ATOM 0 HB2 ARG A 28 10.484 5.335 -5.847 1.00 21.23 H new ATOM 0 HB3 ARG A 28 10.853 6.250 -7.295 1.00 21.23 H new ATOM 0 HG2 ARG A 28 8.530 7.328 -5.851 1.00 5.12 H new ATOM 0 HG3 ARG A 28 9.977 7.286 -4.863 1.00 5.12 H new ATOM 0 HD2 ARG A 28 11.231 8.548 -6.545 1.00 75.32 H new ATOM 0 HD3 ARG A 28 9.885 8.470 -7.665 1.00 75.32 H new ATOM 0 HE ARG A 28 8.686 9.715 -5.588 1.00 74.51 H new ATOM 0 HH11 ARG A 28 11.887 10.225 -6.999 1.00 15.13 H new ATOM 0 HH12 ARG A 28 11.894 11.953 -6.631 1.00 15.13 H new ATOM 0 HH21 ARG A 28 8.701 11.928 -5.143 1.00 61.44 H new ATOM 0 HH22 ARG A 28 10.100 12.912 -5.587 1.00 61.44 H new ATOM 459 N ARG A 29 8.814 6.280 -9.546 1.00 74.51 N ATOM 460 CA ARG A 29 8.210 7.039 -10.634 1.00 72.22 C ATOM 461 C ARG A 29 6.790 6.555 -10.896 1.00 70.42 C ATOM 462 O ARG A 29 5.842 7.332 -10.838 1.00 33.35 O ATOM 463 CB ARG A 29 9.034 6.890 -11.913 1.00 25.25 C ATOM 464 CG ARG A 29 10.167 7.891 -12.058 1.00 62.33 C ATOM 465 CD ARG A 29 10.941 7.646 -13.345 1.00 40.12 C ATOM 466 NE ARG A 29 11.742 8.800 -13.755 1.00 2.11 N ATOM 467 CZ ARG A 29 12.469 8.838 -14.873 1.00 63.25 C ATOM 468 NH1 ARG A 29 12.586 7.752 -15.629 1.00 72.25 N ATOM 469 NH2 ARG A 29 13.094 9.950 -15.228 1.00 52.03 N ATOM 0 H ARG A 29 9.685 5.811 -9.794 1.00 74.51 H new ATOM 0 HA ARG A 29 8.186 8.088 -10.340 1.00 72.22 H new ATOM 0 HB2 ARG A 29 9.450 5.883 -11.946 1.00 25.25 H new ATOM 0 HB3 ARG A 29 8.369 6.988 -12.771 1.00 25.25 H new ATOM 0 HG2 ARG A 29 9.766 8.904 -12.057 1.00 62.33 H new ATOM 0 HG3 ARG A 29 10.839 7.813 -11.203 1.00 62.33 H new ATOM 0 HD2 ARG A 29 11.595 6.785 -13.211 1.00 40.12 H new ATOM 0 HD3 ARG A 29 10.241 7.394 -14.142 1.00 40.12 H new ATOM 0 HE ARG A 29 11.745 9.622 -13.152 1.00 2.11 H new ATOM 0 HH11 ARG A 29 12.120 6.887 -15.355 1.00 72.25 H new ATOM 0 HH12 ARG A 29 13.142 7.783 -16.483 1.00 72.25 H new ATOM 0 HH21 ARG A 29 13.021 10.784 -14.645 1.00 52.03 H new ATOM 0 HH22 ARG A 29 13.648 9.972 -16.084 1.00 52.03 H new ATOM 483 N LYS A 30 6.669 5.261 -11.171 1.00 13.31 N ATOM 484 CA LYS A 30 5.385 4.624 -11.453 1.00 11.04 C ATOM 485 C LYS A 30 4.388 4.880 -10.333 1.00 11.21 C ATOM 486 O LYS A 30 3.241 5.243 -10.577 1.00 71.41 O ATOM 487 CB LYS A 30 5.599 3.118 -11.616 1.00 54.42 C ATOM 488 CG LYS A 30 4.341 2.334 -11.960 1.00 61.34 C ATOM 489 CD LYS A 30 4.659 0.860 -12.161 1.00 61.33 C ATOM 490 CE LYS A 30 3.417 0.051 -12.490 1.00 64.02 C ATOM 491 NZ LYS A 30 2.515 -0.104 -11.319 1.00 50.33 N ATOM 0 H LYS A 30 7.462 4.620 -11.205 1.00 13.31 H new ATOM 0 HA LYS A 30 4.979 5.048 -12.371 1.00 11.04 H new ATOM 0 HB2 LYS A 30 6.340 2.952 -12.398 1.00 54.42 H new ATOM 0 HB3 LYS A 30 6.017 2.721 -10.691 1.00 54.42 H new ATOM 0 HG2 LYS A 30 3.608 2.446 -11.161 1.00 61.34 H new ATOM 0 HG3 LYS A 30 3.891 2.740 -12.866 1.00 61.34 H new ATOM 0 HD2 LYS A 30 5.386 0.752 -12.966 1.00 61.33 H new ATOM 0 HD3 LYS A 30 5.122 0.462 -11.258 1.00 61.33 H new ATOM 0 HE2 LYS A 30 2.875 0.537 -13.301 1.00 64.02 H new ATOM 0 HE3 LYS A 30 3.713 -0.934 -12.850 1.00 64.02 H new ATOM 0 HZ1 LYS A 30 1.735 -0.746 -11.564 1.00 50.33 H new ATOM 0 HZ2 LYS A 30 3.050 -0.498 -10.519 1.00 50.33 H new ATOM 0 HZ3 LYS A 30 2.129 0.824 -11.053 1.00 50.33 H new ATOM 505 N ILE A 31 4.850 4.688 -9.110 1.00 13.21 N ATOM 506 CA ILE A 31 4.019 4.858 -7.924 1.00 12.34 C ATOM 507 C ILE A 31 3.425 6.263 -7.844 1.00 74.02 C ATOM 508 O ILE A 31 2.208 6.424 -7.735 1.00 64.12 O ATOM 509 CB ILE A 31 4.844 4.573 -6.648 1.00 1.34 C ATOM 510 CG1 ILE A 31 5.340 3.127 -6.652 1.00 24.03 C ATOM 511 CG2 ILE A 31 4.029 4.856 -5.394 1.00 32.23 C ATOM 512 CD1 ILE A 31 6.315 2.814 -5.536 1.00 51.11 C ATOM 0 H ILE A 31 5.810 4.410 -8.908 1.00 13.21 H new ATOM 0 HA ILE A 31 3.197 4.146 -7.998 1.00 12.34 H new ATOM 0 HB ILE A 31 5.706 5.240 -6.643 1.00 1.34 H new ATOM 0 HG12 ILE A 31 4.483 2.458 -6.572 1.00 24.03 H new ATOM 0 HG13 ILE A 31 5.818 2.919 -7.609 1.00 24.03 H new ATOM 0 HG21 ILE A 31 4.634 4.647 -4.512 1.00 32.23 H new ATOM 0 HG22 ILE A 31 3.725 5.903 -5.386 1.00 32.23 H new ATOM 0 HG23 ILE A 31 3.143 4.221 -5.385 1.00 32.23 H new ATOM 0 HD11 ILE A 31 6.623 1.770 -5.604 1.00 51.11 H new ATOM 0 HD12 ILE A 31 7.190 3.457 -5.627 1.00 51.11 H new ATOM 0 HD13 ILE A 31 5.835 2.989 -4.573 1.00 51.11 H new ATOM 524 N MET A 32 4.275 7.279 -7.925 1.00 45.43 N ATOM 525 CA MET A 32 3.811 8.653 -7.778 1.00 24.13 C ATOM 526 C MET A 32 3.078 9.121 -9.029 1.00 21.22 C ATOM 527 O MET A 32 2.184 9.964 -8.956 1.00 23.33 O ATOM 528 CB MET A 32 4.970 9.589 -7.436 1.00 74.23 C ATOM 529 CG MET A 32 5.590 9.293 -6.080 1.00 51.21 C ATOM 530 SD MET A 32 6.753 10.562 -5.539 1.00 34.24 S ATOM 531 CE MET A 32 5.660 11.970 -5.355 1.00 75.43 C ATOM 0 H MET A 32 5.277 7.181 -8.090 1.00 45.43 H new ATOM 0 HA MET A 32 3.104 8.680 -6.949 1.00 24.13 H new ATOM 0 HB2 MET A 32 5.737 9.506 -8.206 1.00 74.23 H new ATOM 0 HB3 MET A 32 4.614 10.619 -7.450 1.00 74.23 H new ATOM 0 HG2 MET A 32 4.797 9.196 -5.338 1.00 51.21 H new ATOM 0 HG3 MET A 32 6.104 8.333 -6.124 1.00 51.21 H new ATOM 0 HE1 MET A 32 6.204 12.886 -5.588 1.00 75.43 H new ATOM 0 HE2 MET A 32 4.815 11.866 -6.036 1.00 75.43 H new ATOM 0 HE3 MET A 32 5.295 12.016 -4.329 1.00 75.43 H new ATOM 541 N ASP A 33 3.449 8.555 -10.172 1.00 14.23 N ATOM 542 CA ASP A 33 2.759 8.826 -11.432 1.00 42.45 C ATOM 543 C ASP A 33 1.340 8.272 -11.377 1.00 75.42 C ATOM 544 O ASP A 33 0.408 8.836 -11.957 1.00 15.51 O ATOM 545 CB ASP A 33 3.522 8.201 -12.605 1.00 33.51 C ATOM 546 CG ASP A 33 2.803 8.357 -13.929 1.00 43.12 C ATOM 547 OD1 ASP A 33 2.785 9.483 -14.470 1.00 21.22 O ATOM 548 OD2 ASP A 33 2.270 7.350 -14.447 1.00 32.34 O ATOM 0 H ASP A 33 4.228 7.902 -10.254 1.00 14.23 H new ATOM 0 HA ASP A 33 2.715 9.905 -11.582 1.00 42.45 H new ATOM 0 HB2 ASP A 33 4.508 8.661 -12.677 1.00 33.51 H new ATOM 0 HB3 ASP A 33 3.679 7.141 -12.406 1.00 33.51 H new ATOM 553 N MET A 34 1.186 7.175 -10.646 1.00 10.10 N ATOM 554 CA MET A 34 -0.108 6.527 -10.474 1.00 25.05 C ATOM 555 C MET A 34 -0.975 7.257 -9.454 1.00 33.22 C ATOM 556 O MET A 34 -2.132 6.893 -9.238 1.00 35.03 O ATOM 557 CB MET A 34 0.076 5.058 -10.073 1.00 63.34 C ATOM 558 CG MET A 34 0.261 4.146 -11.271 1.00 25.13 C ATOM 559 SD MET A 34 0.375 2.400 -10.838 1.00 65.22 S ATOM 560 CE MET A 34 0.046 1.659 -12.438 1.00 2.01 C ATOM 0 H MET A 34 1.952 6.711 -10.157 1.00 10.10 H new ATOM 0 HA MET A 34 -0.626 6.568 -11.432 1.00 25.05 H new ATOM 0 HB2 MET A 34 0.942 4.970 -9.417 1.00 63.34 H new ATOM 0 HB3 MET A 34 -0.792 4.730 -9.501 1.00 63.34 H new ATOM 0 HG2 MET A 34 -0.574 4.288 -11.957 1.00 25.13 H new ATOM 0 HG3 MET A 34 1.165 4.439 -11.804 1.00 25.13 H new ATOM 0 HE1 MET A 34 0.079 0.573 -12.350 1.00 2.01 H new ATOM 0 HE2 MET A 34 -0.941 1.965 -12.785 1.00 2.01 H new ATOM 0 HE3 MET A 34 0.800 1.988 -13.153 1.00 2.01 H new ATOM 570 N GLY A 35 -0.415 8.289 -8.836 1.00 55.01 N ATOM 571 CA GLY A 35 -1.189 9.119 -7.936 1.00 23.41 C ATOM 572 C GLY A 35 -0.898 8.838 -6.476 1.00 64.01 C ATOM 573 O GLY A 35 -1.541 9.402 -5.592 1.00 14.05 O ATOM 0 H GLY A 35 0.561 8.565 -8.942 1.00 55.01 H new ATOM 0 HA2 GLY A 35 -0.980 10.168 -8.147 1.00 23.41 H new ATOM 0 HA3 GLY A 35 -2.250 8.961 -8.127 1.00 23.41 H new ATOM 577 N ILE A 36 0.068 7.967 -6.216 1.00 22.14 N ATOM 578 CA ILE A 36 0.422 7.629 -4.845 1.00 63.25 C ATOM 579 C ILE A 36 1.486 8.580 -4.323 1.00 20.33 C ATOM 580 O ILE A 36 2.558 8.717 -4.913 1.00 61.04 O ATOM 581 CB ILE A 36 0.939 6.187 -4.731 1.00 53.25 C ATOM 582 CG1 ILE A 36 -0.009 5.231 -5.456 1.00 14.45 C ATOM 583 CG2 ILE A 36 1.088 5.789 -3.268 1.00 64.34 C ATOM 584 CD1 ILE A 36 0.515 3.816 -5.573 1.00 21.24 C ATOM 0 H ILE A 36 0.616 7.486 -6.929 1.00 22.14 H new ATOM 0 HA ILE A 36 -0.484 7.721 -4.247 1.00 63.25 H new ATOM 0 HB ILE A 36 1.920 6.127 -5.202 1.00 53.25 H new ATOM 0 HG12 ILE A 36 -0.963 5.212 -4.929 1.00 14.45 H new ATOM 0 HG13 ILE A 36 -0.205 5.619 -6.456 1.00 14.45 H new ATOM 0 HG21 ILE A 36 1.455 4.765 -3.205 1.00 64.34 H new ATOM 0 HG22 ILE A 36 1.795 6.459 -2.779 1.00 64.34 H new ATOM 0 HG23 ILE A 36 0.120 5.859 -2.772 1.00 64.34 H new ATOM 0 HD11 ILE A 36 -0.215 3.200 -6.099 1.00 21.24 H new ATOM 0 HD12 ILE A 36 1.453 3.820 -6.128 1.00 21.24 H new ATOM 0 HD13 ILE A 36 0.684 3.407 -4.577 1.00 21.24 H new ATOM 596 N VAL A 37 1.180 9.223 -3.211 1.00 11.11 N ATOM 597 CA VAL A 37 2.079 10.194 -2.597 1.00 74.14 C ATOM 598 C VAL A 37 1.988 10.103 -1.077 1.00 2.04 C ATOM 599 O VAL A 37 1.094 9.442 -0.542 1.00 4.24 O ATOM 600 CB VAL A 37 1.753 11.650 -3.029 1.00 71.35 C ATOM 601 CG1 VAL A 37 1.981 11.850 -4.521 1.00 40.21 C ATOM 602 CG2 VAL A 37 0.323 12.018 -2.655 1.00 41.11 C ATOM 0 H VAL A 37 0.304 9.090 -2.706 1.00 11.11 H new ATOM 0 HA VAL A 37 3.087 9.953 -2.935 1.00 74.14 H new ATOM 0 HB VAL A 37 2.433 12.313 -2.493 1.00 71.35 H new ATOM 0 HG11 VAL A 37 1.744 12.879 -4.791 1.00 40.21 H new ATOM 0 HG12 VAL A 37 3.024 11.643 -4.761 1.00 40.21 H new ATOM 0 HG13 VAL A 37 1.339 11.171 -5.081 1.00 40.21 H new ATOM 0 HG21 VAL A 37 0.117 13.042 -2.967 1.00 41.11 H new ATOM 0 HG22 VAL A 37 -0.370 11.340 -3.154 1.00 41.11 H new ATOM 0 HG23 VAL A 37 0.197 11.936 -1.576 1.00 41.11 H new ATOM 612 N ARG A 38 2.909 10.760 -0.386 1.00 75.53 N ATOM 613 CA ARG A 38 2.873 10.801 1.069 1.00 25.44 C ATOM 614 C ARG A 38 1.661 11.587 1.543 1.00 21.24 C ATOM 615 O ARG A 38 1.601 12.810 1.401 1.00 11.20 O ATOM 616 CB ARG A 38 4.153 11.414 1.637 1.00 52.02 C ATOM 617 CG ARG A 38 5.347 10.477 1.603 1.00 44.31 C ATOM 618 CD ARG A 38 6.586 11.135 2.185 1.00 72.22 C ATOM 619 NE ARG A 38 7.039 12.268 1.378 1.00 13.41 N ATOM 620 CZ ARG A 38 7.315 13.474 1.870 1.00 13.20 C ATOM 621 NH1 ARG A 38 7.141 13.729 3.162 1.00 5.13 N ATOM 622 NH2 ARG A 38 7.746 14.434 1.064 1.00 60.35 N ATOM 0 H ARG A 38 3.686 11.269 -0.807 1.00 75.53 H new ATOM 0 HA ARG A 38 2.798 9.776 1.433 1.00 25.44 H new ATOM 0 HB2 ARG A 38 4.394 12.316 1.074 1.00 52.02 H new ATOM 0 HB3 ARG A 38 3.972 11.720 2.667 1.00 52.02 H new ATOM 0 HG2 ARG A 38 5.117 9.571 2.164 1.00 44.31 H new ATOM 0 HG3 ARG A 38 5.544 10.173 0.575 1.00 44.31 H new ATOM 0 HD2 ARG A 38 6.373 11.475 3.199 1.00 72.22 H new ATOM 0 HD3 ARG A 38 7.387 10.399 2.257 1.00 72.22 H new ATOM 0 HE ARG A 38 7.151 12.125 0.374 1.00 13.41 H new ATOM 0 HH11 ARG A 38 6.794 12.999 3.784 1.00 5.13 H new ATOM 0 HH12 ARG A 38 7.354 14.655 3.532 1.00 5.13 H new ATOM 0 HH21 ARG A 38 7.866 14.248 0.068 1.00 60.35 H new ATOM 0 HH22 ARG A 38 7.958 15.358 1.440 1.00 60.35 H new ATOM 636 N GLY A 39 0.693 10.875 2.090 1.00 41.30 N ATOM 637 CA GLY A 39 -0.526 11.507 2.544 1.00 63.51 C ATOM 638 C GLY A 39 -1.755 10.767 2.067 1.00 21.21 C ATOM 639 O GLY A 39 -2.844 10.941 2.614 1.00 21.14 O ATOM 0 H GLY A 39 0.729 9.865 2.229 1.00 41.30 H new ATOM 0 HA2 GLY A 39 -0.528 11.551 3.633 1.00 63.51 H new ATOM 0 HA3 GLY A 39 -0.558 12.535 2.183 1.00 63.51 H new ATOM 643 N THR A 40 -1.587 9.941 1.043 1.00 75.35 N ATOM 644 CA THR A 40 -2.688 9.150 0.525 1.00 13.13 C ATOM 645 C THR A 40 -2.993 7.983 1.460 1.00 14.10 C ATOM 646 O THR A 40 -2.088 7.399 2.061 1.00 23.02 O ATOM 647 CB THR A 40 -2.372 8.592 -0.873 1.00 53.15 C ATOM 648 OG1 THR A 40 -1.644 9.561 -1.635 1.00 32.22 O ATOM 649 CG2 THR A 40 -3.651 8.227 -1.614 1.00 31.35 C ATOM 0 H THR A 40 -0.700 9.804 0.558 1.00 75.35 H new ATOM 0 HA THR A 40 -3.553 9.809 0.456 1.00 13.13 H new ATOM 0 HB THR A 40 -1.768 7.693 -0.749 1.00 53.15 H new ATOM 0 HG1 THR A 40 -0.735 9.643 -1.277 1.00 32.22 H new ATOM 0 HG21 THR A 40 -3.401 7.835 -2.600 1.00 31.35 H new ATOM 0 HG22 THR A 40 -4.195 7.470 -1.049 1.00 31.35 H new ATOM 0 HG23 THR A 40 -4.274 9.115 -1.724 1.00 31.35 H new ATOM 657 N GLU A 41 -4.266 7.657 1.582 1.00 52.40 N ATOM 658 CA GLU A 41 -4.703 6.554 2.407 1.00 24.03 C ATOM 659 C GLU A 41 -5.042 5.360 1.530 1.00 71.21 C ATOM 660 O GLU A 41 -5.574 5.514 0.426 1.00 5.43 O ATOM 661 CB GLU A 41 -5.905 6.990 3.241 1.00 32.52 C ATOM 662 CG GLU A 41 -5.563 8.055 4.274 1.00 54.34 C ATOM 663 CD GLU A 41 -6.783 8.623 4.967 1.00 24.01 C ATOM 664 OE1 GLU A 41 -7.390 9.567 4.422 1.00 4.55 O ATOM 665 OE2 GLU A 41 -7.133 8.142 6.066 1.00 25.44 O ATOM 0 H GLU A 41 -5.024 8.151 1.111 1.00 52.40 H new ATOM 0 HA GLU A 41 -3.904 6.257 3.086 1.00 24.03 H new ATOM 0 HB2 GLU A 41 -6.680 7.373 2.577 1.00 32.52 H new ATOM 0 HB3 GLU A 41 -6.321 6.120 3.749 1.00 32.52 H new ATOM 0 HG2 GLU A 41 -4.895 7.627 5.021 1.00 54.34 H new ATOM 0 HG3 GLU A 41 -5.020 8.864 3.786 1.00 54.34 H new ATOM 672 N ILE A 42 -4.715 4.178 2.017 1.00 3.54 N ATOM 673 CA ILE A 42 -4.840 2.964 1.235 1.00 63.21 C ATOM 674 C ILE A 42 -5.714 1.943 1.951 1.00 22.03 C ATOM 675 O ILE A 42 -5.464 1.605 3.110 1.00 74.25 O ATOM 676 CB ILE A 42 -3.453 2.338 0.983 1.00 23.44 C ATOM 677 CG1 ILE A 42 -2.522 3.342 0.301 1.00 62.11 C ATOM 678 CG2 ILE A 42 -3.582 1.074 0.143 1.00 25.22 C ATOM 679 CD1 ILE A 42 -1.114 2.823 0.106 1.00 31.12 C ATOM 0 H ILE A 42 -4.357 4.033 2.961 1.00 3.54 H new ATOM 0 HA ILE A 42 -5.302 3.232 0.285 1.00 63.21 H new ATOM 0 HB ILE A 42 -3.019 2.070 1.946 1.00 23.44 H new ATOM 0 HG12 ILE A 42 -2.939 3.611 -0.669 1.00 62.11 H new ATOM 0 HG13 ILE A 42 -2.485 4.254 0.897 1.00 62.11 H new ATOM 0 HG21 ILE A 42 -2.594 0.646 -0.025 1.00 25.22 H new ATOM 0 HG22 ILE A 42 -4.206 0.351 0.668 1.00 25.22 H new ATOM 0 HG23 ILE A 42 -4.039 1.319 -0.816 1.00 25.22 H new ATOM 0 HD11 ILE A 42 -0.509 3.587 -0.383 1.00 31.12 H new ATOM 0 HD12 ILE A 42 -0.678 2.580 1.075 1.00 31.12 H new ATOM 0 HD13 ILE A 42 -1.139 1.928 -0.515 1.00 31.12 H new ATOM 691 N TYR A 43 -6.737 1.459 1.269 1.00 22.32 N ATOM 692 CA TYR A 43 -7.568 0.401 1.812 1.00 42.00 C ATOM 693 C TYR A 43 -7.254 -0.900 1.085 1.00 73.11 C ATOM 694 O TYR A 43 -7.439 -0.997 -0.129 1.00 31.23 O ATOM 695 CB TYR A 43 -9.053 0.748 1.668 1.00 21.44 C ATOM 696 CG TYR A 43 -9.936 0.041 2.671 1.00 2.34 C ATOM 697 CD1 TYR A 43 -10.208 0.616 3.908 1.00 75.41 C ATOM 698 CD2 TYR A 43 -10.496 -1.199 2.389 1.00 23.42 C ATOM 699 CE1 TYR A 43 -11.013 -0.022 4.832 1.00 24.44 C ATOM 700 CE2 TYR A 43 -11.304 -1.843 3.309 1.00 74.55 C ATOM 701 CZ TYR A 43 -11.557 -1.248 4.528 1.00 64.02 C ATOM 702 OH TYR A 43 -12.355 -1.885 5.451 1.00 24.40 O ATOM 0 H TYR A 43 -7.011 1.781 0.341 1.00 22.32 H new ATOM 0 HA TYR A 43 -7.354 0.287 2.875 1.00 42.00 H new ATOM 0 HB2 TYR A 43 -9.179 1.825 1.780 1.00 21.44 H new ATOM 0 HB3 TYR A 43 -9.382 0.491 0.661 1.00 21.44 H new ATOM 0 HD1 TYR A 43 -9.782 1.578 4.151 1.00 75.41 H new ATOM 0 HD2 TYR A 43 -10.297 -1.668 1.436 1.00 23.42 H new ATOM 0 HE1 TYR A 43 -11.214 0.439 5.788 1.00 24.44 H new ATOM 0 HE2 TYR A 43 -11.734 -2.806 3.075 1.00 74.55 H new ATOM 0 HH TYR A 43 -12.662 -2.740 5.083 1.00 24.40 H new ATOM 712 N ILE A 44 -6.753 -1.883 1.815 1.00 61.24 N ATOM 713 CA ILE A 44 -6.376 -3.149 1.209 1.00 63.42 C ATOM 714 C ILE A 44 -7.612 -3.984 0.911 1.00 64.42 C ATOM 715 O ILE A 44 -8.334 -4.395 1.825 1.00 71.44 O ATOM 716 CB ILE A 44 -5.429 -3.970 2.113 1.00 5.33 C ATOM 717 CG1 ILE A 44 -4.258 -3.116 2.613 1.00 2.24 C ATOM 718 CG2 ILE A 44 -4.913 -5.191 1.361 1.00 34.31 C ATOM 719 CD1 ILE A 44 -3.401 -2.534 1.513 1.00 15.30 C ATOM 0 H ILE A 44 -6.599 -1.830 2.822 1.00 61.24 H new ATOM 0 HA ILE A 44 -5.850 -2.909 0.285 1.00 63.42 H new ATOM 0 HB ILE A 44 -5.995 -4.302 2.983 1.00 5.33 H new ATOM 0 HG12 ILE A 44 -4.651 -2.301 3.221 1.00 2.24 H new ATOM 0 HG13 ILE A 44 -3.630 -3.725 3.263 1.00 2.24 H new ATOM 0 HG21 ILE A 44 -4.247 -5.762 2.008 1.00 34.31 H new ATOM 0 HG22 ILE A 44 -5.754 -5.817 1.063 1.00 34.31 H new ATOM 0 HG23 ILE A 44 -4.369 -4.868 0.473 1.00 34.31 H new ATOM 0 HD11 ILE A 44 -2.596 -1.944 1.952 1.00 15.30 H new ATOM 0 HD12 ILE A 44 -2.976 -3.342 0.917 1.00 15.30 H new ATOM 0 HD13 ILE A 44 -4.012 -1.896 0.875 1.00 15.30 H new ATOM 731 N GLU A 45 -7.860 -4.218 -0.365 1.00 40.21 N ATOM 732 CA GLU A 45 -8.960 -5.066 -0.786 1.00 61.14 C ATOM 733 C GLU A 45 -8.593 -6.527 -0.588 1.00 2.13 C ATOM 734 O GLU A 45 -9.367 -7.311 -0.040 1.00 40.23 O ATOM 735 CB GLU A 45 -9.303 -4.796 -2.251 1.00 31.32 C ATOM 736 CG GLU A 45 -10.021 -3.477 -2.470 1.00 11.02 C ATOM 737 CD GLU A 45 -11.456 -3.522 -1.991 1.00 10.32 C ATOM 738 OE1 GLU A 45 -11.685 -3.554 -0.762 1.00 73.14 O ATOM 739 OE2 GLU A 45 -12.366 -3.536 -2.843 1.00 74.13 O ATOM 0 H GLU A 45 -7.311 -3.830 -1.132 1.00 40.21 H new ATOM 0 HA GLU A 45 -9.836 -4.839 -0.178 1.00 61.14 H new ATOM 0 HB2 GLU A 45 -8.385 -4.803 -2.838 1.00 31.32 H new ATOM 0 HB3 GLU A 45 -9.927 -5.607 -2.626 1.00 31.32 H new ATOM 0 HG2 GLU A 45 -9.489 -2.684 -1.945 1.00 11.02 H new ATOM 0 HG3 GLU A 45 -10.001 -3.226 -3.531 1.00 11.02 H new ATOM 746 N GLY A 46 -7.395 -6.879 -1.022 1.00 32.23 N ATOM 747 CA GLY A 46 -6.923 -8.232 -0.874 1.00 54.04 C ATOM 748 C GLY A 46 -5.640 -8.459 -1.629 1.00 51.23 C ATOM 749 O GLY A 46 -5.032 -7.515 -2.128 1.00 71.43 O ATOM 0 H GLY A 46 -6.739 -6.245 -1.477 1.00 32.23 H new ATOM 0 HA2 GLY A 46 -6.767 -8.450 0.183 1.00 54.04 H new ATOM 0 HA3 GLY A 46 -7.684 -8.925 -1.233 1.00 54.04 H new ATOM 753 N LYS A 47 -5.223 -9.706 -1.711 1.00 30.34 N ATOM 754 CA LYS A 47 -4.025 -10.063 -2.445 1.00 53.34 C ATOM 755 C LYS A 47 -4.326 -11.257 -3.333 1.00 50.25 C ATOM 756 O LYS A 47 -5.011 -12.188 -2.908 1.00 72.24 O ATOM 757 CB LYS A 47 -2.863 -10.379 -1.492 1.00 23.51 C ATOM 758 CG LYS A 47 -2.581 -9.268 -0.487 1.00 10.05 C ATOM 759 CD LYS A 47 -1.399 -9.588 0.416 1.00 25.34 C ATOM 760 CE LYS A 47 -0.098 -9.656 -0.369 1.00 70.03 C ATOM 761 NZ LYS A 47 1.085 -9.833 0.514 1.00 5.20 N ATOM 0 H LYS A 47 -5.700 -10.495 -1.275 1.00 30.34 H new ATOM 0 HA LYS A 47 -3.721 -9.216 -3.060 1.00 53.34 H new ATOM 0 HB2 LYS A 47 -3.087 -11.299 -0.951 1.00 23.51 H new ATOM 0 HB3 LYS A 47 -1.963 -10.565 -2.078 1.00 23.51 H new ATOM 0 HG2 LYS A 47 -2.385 -8.339 -1.022 1.00 10.05 H new ATOM 0 HG3 LYS A 47 -3.468 -9.102 0.125 1.00 10.05 H new ATOM 0 HD2 LYS A 47 -1.317 -8.827 1.192 1.00 25.34 H new ATOM 0 HD3 LYS A 47 -1.572 -10.540 0.919 1.00 25.34 H new ATOM 0 HE2 LYS A 47 -0.147 -10.483 -1.078 1.00 70.03 H new ATOM 0 HE3 LYS A 47 0.020 -8.743 -0.952 1.00 70.03 H new ATOM 0 HZ1 LYS A 47 1.948 -9.874 -0.065 1.00 5.20 H new ATOM 0 HZ2 LYS A 47 1.149 -9.032 1.174 1.00 5.20 H new ATOM 0 HZ3 LYS A 47 0.987 -10.718 1.052 1.00 5.20 H new ATOM 775 N ALA A 48 -3.838 -11.212 -4.567 1.00 22.43 N ATOM 776 CA ALA A 48 -4.079 -12.280 -5.530 1.00 64.30 C ATOM 777 C ALA A 48 -3.553 -13.616 -5.007 1.00 4.05 C ATOM 778 O ALA A 48 -2.694 -13.642 -4.127 1.00 75.13 O ATOM 779 CB ALA A 48 -3.435 -11.929 -6.862 1.00 23.25 C ATOM 0 H ALA A 48 -3.271 -10.444 -4.925 1.00 22.43 H new ATOM 0 HA ALA A 48 -5.154 -12.383 -5.676 1.00 64.30 H new ATOM 0 HB1 ALA A 48 -3.618 -12.731 -7.577 1.00 23.25 H new ATOM 0 HB2 ALA A 48 -3.863 -11.001 -7.240 1.00 23.25 H new ATOM 0 HB3 ALA A 48 -2.361 -11.804 -6.725 1.00 23.25 H new ATOM 785 N PRO A 49 -4.068 -14.743 -5.537 1.00 71.23 N ATOM 786 CA PRO A 49 -3.693 -16.094 -5.087 1.00 63.50 C ATOM 787 C PRO A 49 -2.183 -16.343 -5.086 1.00 44.12 C ATOM 788 O PRO A 49 -1.676 -17.111 -4.270 1.00 2.20 O ATOM 789 CB PRO A 49 -4.385 -17.026 -6.095 1.00 64.21 C ATOM 790 CG PRO A 49 -4.839 -16.147 -7.213 1.00 51.34 C ATOM 791 CD PRO A 49 -5.078 -14.798 -6.605 1.00 55.43 C ATOM 0 HA PRO A 49 -3.997 -16.254 -4.052 1.00 63.50 H new ATOM 0 HB2 PRO A 49 -3.699 -17.793 -6.454 1.00 64.21 H new ATOM 0 HB3 PRO A 49 -5.228 -17.542 -5.636 1.00 64.21 H new ATOM 0 HG2 PRO A 49 -4.085 -16.093 -7.998 1.00 51.34 H new ATOM 0 HG3 PRO A 49 -5.749 -16.536 -7.671 1.00 51.34 H new ATOM 0 HD2 PRO A 49 -4.944 -13.997 -7.331 1.00 55.43 H new ATOM 0 HD3 PRO A 49 -6.090 -14.705 -6.211 1.00 55.43 H new ATOM 799 N MET A 50 -1.465 -15.698 -5.997 1.00 34.02 N ATOM 800 CA MET A 50 -0.015 -15.863 -6.072 1.00 40.40 C ATOM 801 C MET A 50 0.691 -14.759 -5.277 1.00 5.52 C ATOM 802 O MET A 50 1.918 -14.659 -5.268 1.00 64.52 O ATOM 803 CB MET A 50 0.438 -15.856 -7.537 1.00 25.24 C ATOM 804 CG MET A 50 1.895 -16.248 -7.742 1.00 31.33 C ATOM 805 SD MET A 50 2.374 -16.253 -9.480 1.00 70.23 S ATOM 806 CE MET A 50 4.101 -16.714 -9.346 1.00 15.42 C ATOM 0 H MET A 50 -1.857 -15.060 -6.690 1.00 34.02 H new ATOM 0 HA MET A 50 0.256 -16.822 -5.631 1.00 40.40 H new ATOM 0 HB2 MET A 50 -0.194 -16.540 -8.104 1.00 25.24 H new ATOM 0 HB3 MET A 50 0.280 -14.860 -7.950 1.00 25.24 H new ATOM 0 HG2 MET A 50 2.534 -15.555 -7.195 1.00 31.33 H new ATOM 0 HG3 MET A 50 2.064 -17.239 -7.320 1.00 31.33 H new ATOM 0 HE1 MET A 50 4.543 -16.761 -10.341 1.00 15.42 H new ATOM 0 HE2 MET A 50 4.630 -15.972 -8.748 1.00 15.42 H new ATOM 0 HE3 MET A 50 4.181 -17.690 -8.867 1.00 15.42 H new ATOM 816 N GLY A 51 -0.097 -13.933 -4.602 1.00 54.30 N ATOM 817 CA GLY A 51 0.451 -12.847 -3.808 1.00 2.23 C ATOM 818 C GLY A 51 0.800 -11.637 -4.649 1.00 75.14 C ATOM 819 O GLY A 51 1.347 -10.656 -4.143 1.00 20.14 O ATOM 0 H GLY A 51 -1.115 -13.996 -4.590 1.00 54.30 H new ATOM 0 HA2 GLY A 51 -0.271 -12.559 -3.044 1.00 2.23 H new ATOM 0 HA3 GLY A 51 1.344 -13.195 -3.288 1.00 2.23 H new ATOM 823 N ASP A 52 0.491 -11.717 -5.936 1.00 41.11 N ATOM 824 CA ASP A 52 0.735 -10.627 -6.874 1.00 23.43 C ATOM 825 C ASP A 52 -0.248 -10.730 -8.031 1.00 35.10 C ATOM 826 O ASP A 52 -0.447 -11.815 -8.585 1.00 32.12 O ATOM 827 CB ASP A 52 2.175 -10.681 -7.399 1.00 20.24 C ATOM 828 CG ASP A 52 2.504 -9.561 -8.376 1.00 54.13 C ATOM 829 OD1 ASP A 52 2.085 -9.641 -9.552 1.00 30.52 O ATOM 830 OD2 ASP A 52 3.218 -8.612 -7.981 1.00 12.22 O ATOM 0 H ASP A 52 0.064 -12.540 -6.361 1.00 41.11 H new ATOM 0 HA ASP A 52 0.594 -9.676 -6.360 1.00 23.43 H new ATOM 0 HB2 ASP A 52 2.864 -10.631 -6.556 1.00 20.24 H new ATOM 0 HB3 ASP A 52 2.340 -11.641 -7.889 1.00 20.24 H new ATOM 835 N PRO A 53 -0.891 -9.617 -8.405 1.00 71.24 N ATOM 836 CA PRO A 53 -0.680 -8.320 -7.764 1.00 23.23 C ATOM 837 C PRO A 53 -1.462 -8.176 -6.459 1.00 24.33 C ATOM 838 O PRO A 53 -2.144 -9.107 -6.018 1.00 22.23 O ATOM 839 CB PRO A 53 -1.203 -7.340 -8.810 1.00 32.21 C ATOM 840 CG PRO A 53 -2.283 -8.086 -9.514 1.00 10.20 C ATOM 841 CD PRO A 53 -1.880 -9.538 -9.495 1.00 55.45 C ATOM 0 HA PRO A 53 0.361 -8.163 -7.483 1.00 23.23 H new ATOM 0 HB2 PRO A 53 -1.586 -6.431 -8.346 1.00 32.21 H new ATOM 0 HB3 PRO A 53 -0.415 -7.038 -9.500 1.00 32.21 H new ATOM 0 HG2 PRO A 53 -3.242 -7.943 -9.016 1.00 10.20 H new ATOM 0 HG3 PRO A 53 -2.398 -7.728 -10.537 1.00 10.20 H new ATOM 0 HD2 PRO A 53 -2.735 -10.187 -9.307 1.00 55.45 H new ATOM 0 HD3 PRO A 53 -1.450 -9.846 -10.448 1.00 55.45 H new ATOM 849 N ILE A 54 -1.354 -7.014 -5.841 1.00 15.22 N ATOM 850 CA ILE A 54 -2.091 -6.733 -4.625 1.00 41.30 C ATOM 851 C ILE A 54 -3.264 -5.811 -4.940 1.00 44.23 C ATOM 852 O ILE A 54 -3.088 -4.756 -5.554 1.00 73.21 O ATOM 853 CB ILE A 54 -1.187 -6.088 -3.553 1.00 72.34 C ATOM 854 CG1 ILE A 54 0.065 -6.945 -3.332 1.00 40.11 C ATOM 855 CG2 ILE A 54 -1.951 -5.921 -2.248 1.00 22.35 C ATOM 856 CD1 ILE A 54 1.045 -6.352 -2.343 1.00 33.11 C ATOM 0 H ILE A 54 -0.761 -6.249 -6.163 1.00 15.22 H new ATOM 0 HA ILE A 54 -2.461 -7.677 -4.225 1.00 41.30 H new ATOM 0 HB ILE A 54 -0.879 -5.103 -3.902 1.00 72.34 H new ATOM 0 HG12 ILE A 54 -0.239 -7.931 -2.981 1.00 40.11 H new ATOM 0 HG13 ILE A 54 0.569 -7.088 -4.288 1.00 40.11 H new ATOM 0 HG21 ILE A 54 -1.301 -5.465 -1.501 1.00 22.35 H new ATOM 0 HG22 ILE A 54 -2.818 -5.281 -2.413 1.00 22.35 H new ATOM 0 HG23 ILE A 54 -2.282 -6.897 -1.893 1.00 22.35 H new ATOM 0 HD11 ILE A 54 1.904 -7.015 -2.240 1.00 33.11 H new ATOM 0 HD12 ILE A 54 1.379 -5.378 -2.701 1.00 33.11 H new ATOM 0 HD13 ILE A 54 0.559 -6.235 -1.375 1.00 33.11 H new ATOM 868 N ALA A 55 -4.458 -6.226 -4.540 1.00 30.41 N ATOM 869 CA ALA A 55 -5.660 -5.459 -4.807 1.00 44.23 C ATOM 870 C ALA A 55 -5.786 -4.315 -3.813 1.00 51.04 C ATOM 871 O ALA A 55 -6.147 -4.516 -2.649 1.00 62.11 O ATOM 872 CB ALA A 55 -6.887 -6.357 -4.754 1.00 52.03 C ATOM 0 H ALA A 55 -4.617 -7.094 -4.028 1.00 30.41 H new ATOM 0 HA ALA A 55 -5.590 -5.038 -5.810 1.00 44.23 H new ATOM 0 HB1 ALA A 55 -7.780 -5.765 -4.957 1.00 52.03 H new ATOM 0 HB2 ALA A 55 -6.795 -7.143 -5.503 1.00 52.03 H new ATOM 0 HB3 ALA A 55 -6.966 -6.806 -3.764 1.00 52.03 H new ATOM 878 N LEU A 56 -5.461 -3.120 -4.269 1.00 24.32 N ATOM 879 CA LEU A 56 -5.475 -1.948 -3.415 1.00 43.23 C ATOM 880 C LEU A 56 -6.568 -0.992 -3.848 1.00 55.32 C ATOM 881 O LEU A 56 -6.875 -0.894 -5.035 1.00 45.21 O ATOM 882 CB LEU A 56 -4.129 -1.231 -3.496 1.00 53.41 C ATOM 883 CG LEU A 56 -2.907 -2.115 -3.258 1.00 52.41 C ATOM 884 CD1 LEU A 56 -1.633 -1.359 -3.591 1.00 0.54 C ATOM 885 CD2 LEU A 56 -2.873 -2.600 -1.821 1.00 14.31 C ATOM 0 H LEU A 56 -5.182 -2.935 -5.233 1.00 24.32 H new ATOM 0 HA LEU A 56 -5.662 -2.271 -2.391 1.00 43.23 H new ATOM 0 HB2 LEU A 56 -4.039 -0.771 -4.480 1.00 53.41 H new ATOM 0 HB3 LEU A 56 -4.121 -0.423 -2.765 1.00 53.41 H new ATOM 0 HG LEU A 56 -2.977 -2.983 -3.914 1.00 52.41 H new ATOM 0 HD11 LEU A 56 -0.771 -2.003 -3.416 1.00 0.54 H new ATOM 0 HD12 LEU A 56 -1.653 -1.056 -4.638 1.00 0.54 H new ATOM 0 HD13 LEU A 56 -1.559 -0.474 -2.959 1.00 0.54 H new ATOM 0 HD21 LEU A 56 -1.995 -3.229 -1.670 1.00 14.31 H new ATOM 0 HD22 LEU A 56 -2.826 -1.743 -1.149 1.00 14.31 H new ATOM 0 HD23 LEU A 56 -3.773 -3.177 -1.610 1.00 14.31 H new ATOM 897 N ARG A 57 -7.167 -0.304 -2.894 1.00 24.30 N ATOM 898 CA ARG A 57 -8.058 0.791 -3.215 1.00 71.23 C ATOM 899 C ARG A 57 -7.438 2.082 -2.713 1.00 22.31 C ATOM 900 O ARG A 57 -7.439 2.367 -1.513 1.00 34.10 O ATOM 901 CB ARG A 57 -9.453 0.589 -2.621 1.00 54.33 C ATOM 902 CG ARG A 57 -10.519 1.431 -3.308 1.00 71.32 C ATOM 903 CD ARG A 57 -11.906 1.151 -2.759 1.00 62.12 C ATOM 904 NE ARG A 57 -12.955 1.630 -3.659 1.00 30.04 N ATOM 905 CZ ARG A 57 -14.228 1.778 -3.310 1.00 44.51 C ATOM 906 NH1 ARG A 57 -14.605 1.563 -2.054 1.00 51.11 N ATOM 907 NH2 ARG A 57 -15.121 2.158 -4.216 1.00 0.40 N ATOM 0 H ARG A 57 -7.053 -0.484 -1.896 1.00 24.30 H new ATOM 0 HA ARG A 57 -8.187 0.834 -4.297 1.00 71.23 H new ATOM 0 HB2 ARG A 57 -9.725 -0.464 -2.696 1.00 54.33 H new ATOM 0 HB3 ARG A 57 -9.430 0.837 -1.560 1.00 54.33 H new ATOM 0 HG2 ARG A 57 -10.285 2.488 -3.180 1.00 71.32 H new ATOM 0 HG3 ARG A 57 -10.506 1.229 -4.379 1.00 71.32 H new ATOM 0 HD2 ARG A 57 -12.025 0.079 -2.601 1.00 62.12 H new ATOM 0 HD3 ARG A 57 -12.015 1.630 -1.786 1.00 62.12 H new ATOM 0 HE ARG A 57 -12.692 1.865 -4.616 1.00 30.04 H new ATOM 0 HH11 ARG A 57 -13.916 1.284 -1.355 1.00 51.11 H new ATOM 0 HH12 ARG A 57 -15.583 1.677 -1.788 1.00 51.11 H new ATOM 0 HH21 ARG A 57 -14.829 2.335 -5.177 1.00 0.40 H new ATOM 0 HH22 ARG A 57 -16.099 2.272 -3.951 1.00 0.40 H new ATOM 921 N LEU A 58 -6.880 2.836 -3.637 1.00 2.24 N ATOM 922 CA LEU A 58 -6.130 4.032 -3.301 1.00 22.23 C ATOM 923 C LEU A 58 -6.708 5.236 -4.019 1.00 35.11 C ATOM 924 O LEU A 58 -7.225 5.115 -5.132 1.00 74.55 O ATOM 925 CB LEU A 58 -4.652 3.832 -3.661 1.00 73.43 C ATOM 926 CG LEU A 58 -3.722 5.021 -3.398 1.00 70.12 C ATOM 927 CD1 LEU A 58 -2.351 4.524 -2.974 1.00 55.44 C ATOM 928 CD2 LEU A 58 -3.590 5.892 -4.641 1.00 40.43 C ATOM 0 H LEU A 58 -6.932 2.640 -4.637 1.00 2.24 H new ATOM 0 HA LEU A 58 -6.204 4.215 -2.229 1.00 22.23 H new ATOM 0 HB2 LEU A 58 -4.277 2.974 -3.103 1.00 73.43 H new ATOM 0 HB3 LEU A 58 -4.589 3.576 -4.719 1.00 73.43 H new ATOM 0 HG LEU A 58 -4.154 5.622 -2.598 1.00 70.12 H new ATOM 0 HD11 LEU A 58 -1.696 5.376 -2.789 1.00 55.44 H new ATOM 0 HD12 LEU A 58 -2.444 3.933 -2.063 1.00 55.44 H new ATOM 0 HD13 LEU A 58 -1.927 3.906 -3.765 1.00 55.44 H new ATOM 0 HD21 LEU A 58 -2.925 6.729 -4.430 1.00 40.43 H new ATOM 0 HD22 LEU A 58 -3.179 5.300 -5.458 1.00 40.43 H new ATOM 0 HD23 LEU A 58 -4.572 6.271 -4.926 1.00 40.43 H new ATOM 940 N ARG A 59 -6.627 6.388 -3.355 1.00 53.00 N ATOM 941 CA ARG A 59 -7.134 7.659 -3.880 1.00 61.31 C ATOM 942 C ARG A 59 -8.666 7.673 -3.893 1.00 53.13 C ATOM 943 O ARG A 59 -9.292 8.593 -3.371 1.00 43.11 O ATOM 944 CB ARG A 59 -6.557 7.939 -5.282 1.00 63.21 C ATOM 945 CG ARG A 59 -6.861 9.332 -5.820 1.00 22.44 C ATOM 946 CD ARG A 59 -8.214 9.398 -6.511 1.00 64.55 C ATOM 947 NE ARG A 59 -8.660 10.773 -6.707 1.00 62.24 N ATOM 948 CZ ARG A 59 -9.657 11.126 -7.513 1.00 50.10 C ATOM 949 NH1 ARG A 59 -10.233 10.224 -8.302 1.00 3.32 N ATOM 950 NH2 ARG A 59 -10.055 12.389 -7.549 1.00 53.32 N ATOM 0 H ARG A 59 -6.205 6.468 -2.430 1.00 53.00 H new ATOM 0 HA ARG A 59 -6.803 8.459 -3.218 1.00 61.31 H new ATOM 0 HB2 ARG A 59 -5.476 7.803 -5.251 1.00 63.21 H new ATOM 0 HB3 ARG A 59 -6.952 7.199 -5.979 1.00 63.21 H new ATOM 0 HG2 ARG A 59 -6.838 10.049 -5.000 1.00 22.44 H new ATOM 0 HG3 ARG A 59 -6.081 9.627 -6.522 1.00 22.44 H new ATOM 0 HD2 ARG A 59 -8.153 8.895 -7.476 1.00 64.55 H new ATOM 0 HD3 ARG A 59 -8.952 8.859 -5.917 1.00 64.55 H new ATOM 0 HE ARG A 59 -8.177 11.510 -6.194 1.00 62.24 H new ATOM 0 HH11 ARG A 59 -9.910 9.256 -8.291 1.00 3.32 H new ATOM 0 HH12 ARG A 59 -10.997 10.500 -8.918 1.00 3.32 H new ATOM 0 HH21 ARG A 59 -9.597 13.085 -6.960 1.00 53.32 H new ATOM 0 HH22 ARG A 59 -10.819 12.666 -8.165 1.00 53.32 H new ATOM 964 N GLY A 60 -9.260 6.646 -4.478 1.00 63.54 N ATOM 965 CA GLY A 60 -10.701 6.556 -4.549 1.00 15.44 C ATOM 966 C GLY A 60 -11.160 5.297 -5.253 1.00 70.10 C ATOM 967 O GLY A 60 -12.307 4.881 -5.108 1.00 70.13 O ATOM 0 H GLY A 60 -8.764 5.866 -4.909 1.00 63.54 H new ATOM 0 HA2 GLY A 60 -11.115 6.578 -3.541 1.00 15.44 H new ATOM 0 HA3 GLY A 60 -11.093 7.427 -5.074 1.00 15.44 H new ATOM 971 N TYR A 61 -10.262 4.679 -6.006 1.00 42.21 N ATOM 972 CA TYR A 61 -10.602 3.479 -6.753 1.00 11.11 C ATOM 973 C TYR A 61 -9.570 2.393 -6.533 1.00 42.55 C ATOM 974 O TYR A 61 -8.482 2.641 -6.013 1.00 61.45 O ATOM 975 CB TYR A 61 -10.719 3.777 -8.248 1.00 11.23 C ATOM 976 CG TYR A 61 -9.463 4.364 -8.859 1.00 35.45 C ATOM 977 CD1 TYR A 61 -9.195 5.726 -8.785 1.00 75.03 C ATOM 978 CD2 TYR A 61 -8.544 3.550 -9.507 1.00 15.43 C ATOM 979 CE1 TYR A 61 -8.048 6.256 -9.339 1.00 42.22 C ATOM 980 CE2 TYR A 61 -7.396 4.072 -10.063 1.00 35.32 C ATOM 981 CZ TYR A 61 -7.151 5.425 -9.975 1.00 30.13 C ATOM 982 OH TYR A 61 -6.005 5.945 -10.530 1.00 71.44 O ATOM 0 H TYR A 61 -9.296 4.988 -6.115 1.00 42.21 H new ATOM 0 HA TYR A 61 -11.567 3.130 -6.386 1.00 11.11 H new ATOM 0 HB2 TYR A 61 -10.970 2.855 -8.773 1.00 11.23 H new ATOM 0 HB3 TYR A 61 -11.546 4.469 -8.406 1.00 11.23 H new ATOM 0 HD1 TYR A 61 -9.895 6.379 -8.286 1.00 75.03 H new ATOM 0 HD2 TYR A 61 -8.732 2.489 -9.577 1.00 15.43 H new ATOM 0 HE1 TYR A 61 -7.854 7.316 -9.275 1.00 42.22 H new ATOM 0 HE2 TYR A 61 -6.692 3.424 -10.565 1.00 35.32 H new ATOM 0 HH TYR A 61 -5.482 5.223 -10.938 1.00 71.44 H new ATOM 992 N SER A 62 -9.929 1.192 -6.930 1.00 75.34 N ATOM 993 CA SER A 62 -9.031 0.058 -6.835 1.00 2.34 C ATOM 994 C SER A 62 -8.084 0.030 -8.026 1.00 13.43 C ATOM 995 O SER A 62 -8.455 0.387 -9.148 1.00 4.14 O ATOM 996 CB SER A 62 -9.821 -1.251 -6.750 1.00 41.24 C ATOM 997 OG SER A 62 -8.959 -2.370 -6.629 1.00 44.10 O ATOM 0 H SER A 62 -10.844 0.973 -7.325 1.00 75.34 H new ATOM 0 HA SER A 62 -8.441 0.163 -5.924 1.00 2.34 H new ATOM 0 HB2 SER A 62 -10.495 -1.215 -5.894 1.00 41.24 H new ATOM 0 HB3 SER A 62 -10.441 -1.362 -7.640 1.00 41.24 H new ATOM 0 HG SER A 62 -8.162 -2.116 -6.118 1.00 44.10 H new ATOM 1003 N LEU A 63 -6.868 -0.397 -7.764 1.00 73.02 N ATOM 1004 CA LEU A 63 -5.828 -0.452 -8.775 1.00 4.01 C ATOM 1005 C LEU A 63 -4.886 -1.608 -8.468 1.00 25.23 C ATOM 1006 O LEU A 63 -4.678 -1.948 -7.302 1.00 2.42 O ATOM 1007 CB LEU A 63 -5.054 0.873 -8.809 1.00 40.12 C ATOM 1008 CG LEU A 63 -3.999 0.998 -9.916 1.00 64.11 C ATOM 1009 CD1 LEU A 63 -4.642 0.927 -11.291 1.00 3.13 C ATOM 1010 CD2 LEU A 63 -3.222 2.297 -9.765 1.00 22.14 C ATOM 0 H LEU A 63 -6.569 -0.717 -6.843 1.00 73.02 H new ATOM 0 HA LEU A 63 -6.282 -0.610 -9.753 1.00 4.01 H new ATOM 0 HB2 LEU A 63 -5.769 1.688 -8.920 1.00 40.12 H new ATOM 0 HB3 LEU A 63 -4.562 1.010 -7.846 1.00 40.12 H new ATOM 0 HG LEU A 63 -3.307 0.161 -9.819 1.00 64.11 H new ATOM 0 HD11 LEU A 63 -3.873 1.018 -12.058 1.00 3.13 H new ATOM 0 HD12 LEU A 63 -5.155 -0.028 -11.404 1.00 3.13 H new ATOM 0 HD13 LEU A 63 -5.360 1.740 -11.399 1.00 3.13 H new ATOM 0 HD21 LEU A 63 -2.478 2.370 -10.558 1.00 22.14 H new ATOM 0 HD22 LEU A 63 -3.908 3.141 -9.832 1.00 22.14 H new ATOM 0 HD23 LEU A 63 -2.723 2.312 -8.796 1.00 22.14 H new ATOM 1022 N SER A 64 -4.332 -2.214 -9.505 1.00 12.24 N ATOM 1023 CA SER A 64 -3.457 -3.352 -9.332 1.00 12.13 C ATOM 1024 C SER A 64 -2.003 -2.911 -9.271 1.00 65.21 C ATOM 1025 O SER A 64 -1.435 -2.427 -10.254 1.00 43.12 O ATOM 1026 CB SER A 64 -3.649 -4.327 -10.477 1.00 71.30 C ATOM 1027 OG SER A 64 -4.782 -5.153 -10.269 1.00 13.12 O ATOM 0 H SER A 64 -4.475 -1.933 -10.475 1.00 12.24 H new ATOM 0 HA SER A 64 -3.710 -3.841 -8.391 1.00 12.13 H new ATOM 0 HB2 SER A 64 -3.765 -3.776 -11.410 1.00 71.30 H new ATOM 0 HB3 SER A 64 -2.759 -4.947 -10.582 1.00 71.30 H new ATOM 0 HG SER A 64 -4.881 -5.769 -11.024 1.00 13.12 H new ATOM 1033 N LEU A 65 -1.419 -3.072 -8.105 1.00 12.21 N ATOM 1034 CA LEU A 65 -0.013 -2.762 -7.888 1.00 55.23 C ATOM 1035 C LEU A 65 0.754 -4.053 -7.658 1.00 50.10 C ATOM 1036 O LEU A 65 0.231 -4.989 -7.051 1.00 1.22 O ATOM 1037 CB LEU A 65 0.173 -1.824 -6.686 1.00 41.51 C ATOM 1038 CG LEU A 65 -0.113 -0.336 -6.935 1.00 61.41 C ATOM 1039 CD1 LEU A 65 0.717 0.183 -8.098 1.00 25.13 C ATOM 1040 CD2 LEU A 65 -1.593 -0.088 -7.180 1.00 43.14 C ATOM 0 H LEU A 65 -1.901 -3.421 -7.276 1.00 12.21 H new ATOM 0 HA LEU A 65 0.370 -2.253 -8.772 1.00 55.23 H new ATOM 0 HB2 LEU A 65 -0.476 -2.167 -5.880 1.00 41.51 H new ATOM 0 HB3 LEU A 65 1.199 -1.921 -6.332 1.00 41.51 H new ATOM 0 HG LEU A 65 0.171 0.211 -6.036 1.00 61.41 H new ATOM 0 HD11 LEU A 65 0.499 1.239 -8.258 1.00 25.13 H new ATOM 0 HD12 LEU A 65 1.776 0.061 -7.872 1.00 25.13 H new ATOM 0 HD13 LEU A 65 0.471 -0.378 -8.999 1.00 25.13 H new ATOM 0 HD21 LEU A 65 -1.760 0.975 -7.353 1.00 43.14 H new ATOM 0 HD22 LEU A 65 -1.917 -0.653 -8.054 1.00 43.14 H new ATOM 0 HD23 LEU A 65 -2.165 -0.408 -6.309 1.00 43.14 H new ATOM 1052 N ARG A 66 1.982 -4.113 -8.148 1.00 0.14 N ATOM 1053 CA ARG A 66 2.784 -5.316 -7.998 1.00 23.51 C ATOM 1054 C ARG A 66 3.558 -5.298 -6.693 1.00 4.03 C ATOM 1055 O ARG A 66 3.618 -4.278 -6.001 1.00 35.24 O ATOM 1056 CB ARG A 66 3.758 -5.484 -9.155 1.00 62.55 C ATOM 1057 CG ARG A 66 3.096 -5.838 -10.468 1.00 5.54 C ATOM 1058 CD ARG A 66 4.011 -6.719 -11.291 1.00 44.42 C ATOM 1059 NE ARG A 66 3.554 -6.863 -12.667 1.00 1.11 N ATOM 1060 CZ ARG A 66 3.378 -8.035 -13.277 1.00 14.13 C ATOM 1061 NH1 ARG A 66 3.523 -9.170 -12.601 1.00 33.21 N ATOM 1062 NH2 ARG A 66 3.046 -8.066 -14.557 1.00 4.55 N ATOM 0 H ARG A 66 2.441 -3.352 -8.648 1.00 0.14 H new ATOM 0 HA ARG A 66 2.092 -6.159 -7.994 1.00 23.51 H new ATOM 0 HB2 ARG A 66 4.320 -4.559 -9.281 1.00 62.55 H new ATOM 0 HB3 ARG A 66 4.478 -6.262 -8.901 1.00 62.55 H new ATOM 0 HG2 ARG A 66 2.153 -6.353 -10.282 1.00 5.54 H new ATOM 0 HG3 ARG A 66 2.859 -4.929 -11.021 1.00 5.54 H new ATOM 0 HD2 ARG A 66 5.016 -6.298 -11.287 1.00 44.42 H new ATOM 0 HD3 ARG A 66 4.076 -7.704 -10.828 1.00 44.42 H new ATOM 0 HE ARG A 66 3.356 -6.014 -13.197 1.00 1.11 H new ATOM 0 HH11 ARG A 66 3.770 -9.146 -11.612 1.00 33.21 H new ATOM 0 HH12 ARG A 66 3.387 -10.065 -13.072 1.00 33.21 H new ATOM 0 HH21 ARG A 66 2.926 -7.195 -15.074 1.00 4.55 H new ATOM 0 HH22 ARG A 66 2.910 -8.961 -15.027 1.00 4.55 H new ATOM 1076 N LYS A 67 4.156 -6.439 -6.372 1.00 21.33 N ATOM 1077 CA LYS A 67 5.008 -6.568 -5.198 1.00 61.55 C ATOM 1078 C LYS A 67 6.164 -5.575 -5.263 1.00 52.02 C ATOM 1079 O LYS A 67 6.623 -5.067 -4.238 1.00 34.02 O ATOM 1080 CB LYS A 67 5.553 -7.993 -5.115 1.00 72.45 C ATOM 1081 CG LYS A 67 6.355 -8.280 -3.856 1.00 22.42 C ATOM 1082 CD LYS A 67 7.062 -9.622 -3.946 1.00 10.13 C ATOM 1083 CE LYS A 67 6.089 -10.763 -4.194 1.00 31.40 C ATOM 1084 NZ LYS A 67 6.792 -12.061 -4.359 1.00 54.53 N ATOM 0 H LYS A 67 4.064 -7.297 -6.916 1.00 21.33 H new ATOM 0 HA LYS A 67 4.415 -6.352 -4.309 1.00 61.55 H new ATOM 0 HB2 LYS A 67 4.719 -8.693 -5.169 1.00 72.45 H new ATOM 0 HB3 LYS A 67 6.183 -8.181 -5.984 1.00 72.45 H new ATOM 0 HG2 LYS A 67 7.089 -7.489 -3.702 1.00 22.42 H new ATOM 0 HG3 LYS A 67 5.692 -8.273 -2.991 1.00 22.42 H new ATOM 0 HD2 LYS A 67 7.797 -9.591 -4.750 1.00 10.13 H new ATOM 0 HD3 LYS A 67 7.609 -9.806 -3.021 1.00 10.13 H new ATOM 0 HE2 LYS A 67 5.389 -10.832 -3.361 1.00 31.40 H new ATOM 0 HE3 LYS A 67 5.501 -10.552 -5.087 1.00 31.40 H new ATOM 0 HZ1 LYS A 67 6.095 -12.815 -4.526 1.00 54.53 H new ATOM 0 HZ2 LYS A 67 7.441 -12.004 -5.170 1.00 54.53 H new ATOM 0 HZ3 LYS A 67 7.333 -12.275 -3.497 1.00 54.53 H new ATOM 1098 N SER A 68 6.621 -5.305 -6.480 1.00 72.20 N ATOM 1099 CA SER A 68 7.710 -4.374 -6.713 1.00 13.02 C ATOM 1100 C SER A 68 7.378 -2.992 -6.145 1.00 33.44 C ATOM 1101 O SER A 68 8.127 -2.454 -5.331 1.00 20.20 O ATOM 1102 CB SER A 68 7.988 -4.274 -8.214 1.00 51.20 C ATOM 1103 OG SER A 68 8.093 -5.566 -8.798 1.00 40.13 O ATOM 0 H SER A 68 6.245 -5.726 -7.330 1.00 72.20 H new ATOM 0 HA SER A 68 8.600 -4.744 -6.204 1.00 13.02 H new ATOM 0 HB2 SER A 68 7.188 -3.715 -8.700 1.00 51.20 H new ATOM 0 HB3 SER A 68 8.911 -3.719 -8.381 1.00 51.20 H new ATOM 0 HG SER A 68 8.269 -5.478 -9.758 1.00 40.13 H new ATOM 1109 N GLU A 69 6.249 -2.433 -6.568 1.00 35.40 N ATOM 1110 CA GLU A 69 5.827 -1.112 -6.114 1.00 4.31 C ATOM 1111 C GLU A 69 5.511 -1.129 -4.626 1.00 21.11 C ATOM 1112 O GLU A 69 5.850 -0.199 -3.899 1.00 73.32 O ATOM 1113 CB GLU A 69 4.593 -0.629 -6.887 1.00 50.20 C ATOM 1114 CG GLU A 69 4.796 -0.516 -8.389 1.00 61.11 C ATOM 1115 CD GLU A 69 4.522 -1.814 -9.114 1.00 3.12 C ATOM 1116 OE1 GLU A 69 5.409 -2.685 -9.145 1.00 72.21 O ATOM 1117 OE2 GLU A 69 3.411 -1.964 -9.661 1.00 60.35 O ATOM 0 H GLU A 69 5.608 -2.875 -7.226 1.00 35.40 H new ATOM 0 HA GLU A 69 6.652 -0.425 -6.300 1.00 4.31 H new ATOM 0 HB2 GLU A 69 3.768 -1.315 -6.695 1.00 50.20 H new ATOM 0 HB3 GLU A 69 4.295 0.345 -6.499 1.00 50.20 H new ATOM 0 HG2 GLU A 69 4.140 0.261 -8.783 1.00 61.11 H new ATOM 0 HG3 GLU A 69 5.820 -0.201 -8.590 1.00 61.11 H new ATOM 1124 N ALA A 70 4.870 -2.203 -4.181 1.00 11.45 N ATOM 1125 CA ALA A 70 4.468 -2.340 -2.789 1.00 14.21 C ATOM 1126 C ALA A 70 5.678 -2.306 -1.856 1.00 65.15 C ATOM 1127 O ALA A 70 5.581 -1.852 -0.720 1.00 43.13 O ATOM 1128 CB ALA A 70 3.678 -3.623 -2.601 1.00 33.11 C ATOM 0 H ALA A 70 4.617 -2.996 -4.770 1.00 11.45 H new ATOM 0 HA ALA A 70 3.832 -1.493 -2.531 1.00 14.21 H new ATOM 0 HB1 ALA A 70 3.381 -3.718 -1.557 1.00 33.11 H new ATOM 0 HB2 ALA A 70 2.788 -3.598 -3.230 1.00 33.11 H new ATOM 0 HB3 ALA A 70 4.297 -4.476 -2.881 1.00 33.11 H new ATOM 1134 N LYS A 71 6.814 -2.783 -2.347 1.00 73.14 N ATOM 1135 CA LYS A 71 8.054 -2.766 -1.577 1.00 41.32 C ATOM 1136 C LYS A 71 8.529 -1.335 -1.331 1.00 45.13 C ATOM 1137 O LYS A 71 9.018 -1.006 -0.250 1.00 44.33 O ATOM 1138 CB LYS A 71 9.143 -3.549 -2.315 1.00 13.30 C ATOM 1139 CG LYS A 71 10.543 -3.316 -1.767 1.00 31.35 C ATOM 1140 CD LYS A 71 11.600 -3.978 -2.632 1.00 63.43 C ATOM 1141 CE LYS A 71 13.000 -3.538 -2.235 1.00 24.13 C ATOM 1142 NZ LYS A 71 13.318 -3.880 -0.825 1.00 64.43 N ATOM 0 H LYS A 71 6.904 -3.188 -3.279 1.00 73.14 H new ATOM 0 HA LYS A 71 7.858 -3.236 -0.613 1.00 41.32 H new ATOM 0 HB2 LYS A 71 8.913 -4.613 -2.260 1.00 13.30 H new ATOM 0 HB3 LYS A 71 9.125 -3.273 -3.369 1.00 13.30 H new ATOM 0 HG2 LYS A 71 10.738 -2.245 -1.709 1.00 31.35 H new ATOM 0 HG3 LYS A 71 10.606 -3.707 -0.751 1.00 31.35 H new ATOM 0 HD2 LYS A 71 11.519 -5.061 -2.543 1.00 63.43 H new ATOM 0 HD3 LYS A 71 11.423 -3.730 -3.679 1.00 63.43 H new ATOM 0 HE2 LYS A 71 13.728 -4.010 -2.895 1.00 24.13 H new ATOM 0 HE3 LYS A 71 13.094 -2.461 -2.376 1.00 24.13 H new ATOM 0 HZ1 LYS A 71 14.314 -3.654 -0.629 1.00 64.43 H new ATOM 0 HZ2 LYS A 71 12.706 -3.330 -0.188 1.00 64.43 H new ATOM 0 HZ3 LYS A 71 13.156 -4.895 -0.669 1.00 64.43 H new ATOM 1156 N ASP A 72 8.365 -0.490 -2.336 1.00 31.45 N ATOM 1157 CA ASP A 72 8.901 0.866 -2.297 1.00 55.03 C ATOM 1158 C ASP A 72 7.907 1.860 -1.703 1.00 71.11 C ATOM 1159 O ASP A 72 8.129 3.074 -1.735 1.00 64.40 O ATOM 1160 CB ASP A 72 9.324 1.298 -3.701 1.00 34.44 C ATOM 1161 CG ASP A 72 10.702 0.780 -4.076 1.00 41.13 C ATOM 1162 OD1 ASP A 72 10.813 -0.377 -4.532 1.00 74.53 O ATOM 1163 OD2 ASP A 72 11.686 1.530 -3.930 1.00 54.43 O ATOM 0 H ASP A 72 7.863 -0.718 -3.194 1.00 31.45 H new ATOM 0 HA ASP A 72 9.773 0.861 -1.643 1.00 55.03 H new ATOM 0 HB2 ASP A 72 8.594 0.936 -4.425 1.00 34.44 H new ATOM 0 HB3 ASP A 72 9.320 2.386 -3.760 1.00 34.44 H new ATOM 1168 N ILE A 73 6.818 1.344 -1.152 1.00 3.33 N ATOM 1169 CA ILE A 73 5.838 2.174 -0.467 1.00 3.21 C ATOM 1170 C ILE A 73 5.844 1.860 1.023 1.00 74.11 C ATOM 1171 O ILE A 73 5.540 0.738 1.424 1.00 73.14 O ATOM 1172 CB ILE A 73 4.411 1.959 -1.018 1.00 11.13 C ATOM 1173 CG1 ILE A 73 4.369 2.227 -2.524 1.00 41.20 C ATOM 1174 CG2 ILE A 73 3.421 2.860 -0.293 1.00 65.22 C ATOM 1175 CD1 ILE A 73 3.022 1.942 -3.156 1.00 42.32 C ATOM 0 H ILE A 73 6.590 0.350 -1.166 1.00 3.33 H new ATOM 0 HA ILE A 73 6.118 3.213 -0.639 1.00 3.21 H new ATOM 0 HB ILE A 73 4.129 0.920 -0.845 1.00 11.13 H new ATOM 0 HG12 ILE A 73 4.633 3.269 -2.706 1.00 41.20 H new ATOM 0 HG13 ILE A 73 5.127 1.616 -3.014 1.00 41.20 H new ATOM 0 HG21 ILE A 73 2.420 2.697 -0.693 1.00 65.22 H new ATOM 0 HG22 ILE A 73 3.429 2.627 0.772 1.00 65.22 H new ATOM 0 HG23 ILE A 73 3.704 3.903 -0.438 1.00 65.22 H new ATOM 0 HD11 ILE A 73 3.069 2.155 -4.224 1.00 42.32 H new ATOM 0 HD12 ILE A 73 2.764 0.894 -3.006 1.00 42.32 H new ATOM 0 HD13 ILE A 73 2.262 2.572 -2.693 1.00 42.32 H new ATOM 1187 N LEU A 74 6.196 2.846 1.836 1.00 42.43 N ATOM 1188 CA LEU A 74 6.257 2.661 3.276 1.00 62.02 C ATOM 1189 C LEU A 74 4.977 3.175 3.927 1.00 5.35 C ATOM 1190 O LEU A 74 4.709 4.380 3.940 1.00 71.33 O ATOM 1191 CB LEU A 74 7.471 3.397 3.849 1.00 25.04 C ATOM 1192 CG LEU A 74 8.821 2.987 3.259 1.00 42.15 C ATOM 1193 CD1 LEU A 74 9.935 3.844 3.836 1.00 24.10 C ATOM 1194 CD2 LEU A 74 9.093 1.514 3.519 1.00 3.35 C ATOM 0 H LEU A 74 6.444 3.784 1.520 1.00 42.43 H new ATOM 0 HA LEU A 74 6.356 1.597 3.490 1.00 62.02 H new ATOM 0 HB2 LEU A 74 7.334 4.467 3.692 1.00 25.04 H new ATOM 0 HB3 LEU A 74 7.499 3.234 4.926 1.00 25.04 H new ATOM 0 HG LEU A 74 8.787 3.144 2.181 1.00 42.15 H new ATOM 0 HD11 LEU A 74 10.889 3.539 3.406 1.00 24.10 H new ATOM 0 HD12 LEU A 74 9.748 4.891 3.599 1.00 24.10 H new ATOM 0 HD13 LEU A 74 9.968 3.717 4.918 1.00 24.10 H new ATOM 0 HD21 LEU A 74 10.058 1.241 3.092 1.00 3.35 H new ATOM 0 HD22 LEU A 74 9.107 1.331 4.593 1.00 3.35 H new ATOM 0 HD23 LEU A 74 8.309 0.912 3.059 1.00 3.35 H new ATOM 1206 N VAL A 75 4.187 2.260 4.461 1.00 14.04 N ATOM 1207 CA VAL A 75 2.900 2.597 5.046 1.00 70.12 C ATOM 1208 C VAL A 75 2.782 2.062 6.467 1.00 35.14 C ATOM 1209 O VAL A 75 3.324 1.006 6.795 1.00 24.12 O ATOM 1210 CB VAL A 75 1.732 2.036 4.203 1.00 73.35 C ATOM 1211 CG1 VAL A 75 1.692 2.692 2.834 1.00 31.24 C ATOM 1212 CG2 VAL A 75 1.842 0.523 4.063 1.00 62.02 C ATOM 0 H VAL A 75 4.417 1.267 4.502 1.00 14.04 H new ATOM 0 HA VAL A 75 2.840 3.685 5.063 1.00 70.12 H new ATOM 0 HB VAL A 75 0.802 2.266 4.723 1.00 73.35 H new ATOM 0 HG11 VAL A 75 0.862 2.282 2.258 1.00 31.24 H new ATOM 0 HG12 VAL A 75 1.557 3.767 2.950 1.00 31.24 H new ATOM 0 HG13 VAL A 75 2.628 2.498 2.310 1.00 31.24 H new ATOM 0 HG21 VAL A 75 1.009 0.151 3.466 1.00 62.02 H new ATOM 0 HG22 VAL A 75 2.782 0.270 3.572 1.00 62.02 H new ATOM 0 HG23 VAL A 75 1.814 0.063 5.051 1.00 62.02 H new ATOM 1222 N GLU A 76 2.085 2.799 7.312 1.00 12.23 N ATOM 1223 CA GLU A 76 1.808 2.342 8.663 1.00 13.02 C ATOM 1224 C GLU A 76 0.342 1.949 8.773 1.00 43.10 C ATOM 1225 O GLU A 76 -0.530 2.604 8.195 1.00 63.43 O ATOM 1226 CB GLU A 76 2.168 3.423 9.690 1.00 1.22 C ATOM 1227 CG GLU A 76 1.978 2.979 11.135 1.00 54.31 C ATOM 1228 CD GLU A 76 2.630 3.917 12.131 1.00 33.11 C ATOM 1229 OE1 GLU A 76 2.066 4.991 12.407 1.00 53.54 O ATOM 1230 OE2 GLU A 76 3.714 3.572 12.652 1.00 63.34 O ATOM 0 H GLU A 76 1.700 3.717 7.088 1.00 12.23 H new ATOM 0 HA GLU A 76 2.425 1.470 8.879 1.00 13.02 H new ATOM 0 HB2 GLU A 76 3.206 3.720 9.544 1.00 1.22 H new ATOM 0 HB3 GLU A 76 1.555 4.305 9.506 1.00 1.22 H new ATOM 0 HG2 GLU A 76 0.912 2.911 11.352 1.00 54.31 H new ATOM 0 HG3 GLU A 76 2.393 1.979 11.260 1.00 54.31 H new ATOM 1237 N VAL A 77 0.082 0.859 9.482 1.00 73.20 N ATOM 1238 CA VAL A 77 -1.270 0.348 9.631 1.00 4.41 C ATOM 1239 C VAL A 77 -2.088 1.266 10.533 1.00 23.45 C ATOM 1240 O VAL A 77 -1.913 1.276 11.751 1.00 14.20 O ATOM 1241 CB VAL A 77 -1.274 -1.086 10.207 1.00 5.44 C ATOM 1242 CG1 VAL A 77 -2.688 -1.648 10.248 1.00 70.45 C ATOM 1243 CG2 VAL A 77 -0.357 -1.992 9.397 1.00 10.30 C ATOM 0 H VAL A 77 0.794 0.311 9.964 1.00 73.20 H new ATOM 0 HA VAL A 77 -1.721 0.318 8.639 1.00 4.41 H new ATOM 0 HB VAL A 77 -0.897 -1.044 11.229 1.00 5.44 H new ATOM 0 HG11 VAL A 77 -2.666 -2.658 10.657 1.00 70.45 H new ATOM 0 HG12 VAL A 77 -3.313 -1.015 10.878 1.00 70.45 H new ATOM 0 HG13 VAL A 77 -3.099 -1.674 9.239 1.00 70.45 H new ATOM 0 HG21 VAL A 77 -0.374 -2.997 9.818 1.00 10.30 H new ATOM 0 HG22 VAL A 77 -0.700 -2.026 8.363 1.00 10.30 H new ATOM 0 HG23 VAL A 77 0.660 -1.602 9.429 1.00 10.30 H new ATOM 1253 N LEU A 78 -2.971 2.043 9.923 1.00 23.43 N ATOM 1254 CA LEU A 78 -3.784 2.998 10.661 1.00 42.05 C ATOM 1255 C LEU A 78 -5.123 2.398 11.054 1.00 1.31 C ATOM 1256 O LEU A 78 -5.997 3.095 11.571 1.00 62.44 O ATOM 1257 CB LEU A 78 -4.006 4.261 9.842 1.00 52.23 C ATOM 1258 CG LEU A 78 -2.780 5.163 9.693 1.00 44.22 C ATOM 1259 CD1 LEU A 78 -3.161 6.457 8.997 1.00 72.40 C ATOM 1260 CD2 LEU A 78 -2.152 5.450 11.049 1.00 21.31 C ATOM 0 H LEU A 78 -3.143 2.031 8.918 1.00 23.43 H new ATOM 0 HA LEU A 78 -3.242 3.254 11.571 1.00 42.05 H new ATOM 0 HB2 LEU A 78 -4.350 3.975 8.848 1.00 52.23 H new ATOM 0 HB3 LEU A 78 -4.808 4.838 10.303 1.00 52.23 H new ATOM 0 HG LEU A 78 -2.042 4.643 9.082 1.00 44.22 H new ATOM 0 HD11 LEU A 78 -2.279 7.090 8.897 1.00 72.40 H new ATOM 0 HD12 LEU A 78 -3.561 6.234 8.008 1.00 72.40 H new ATOM 0 HD13 LEU A 78 -3.917 6.978 9.585 1.00 72.40 H new ATOM 0 HD21 LEU A 78 -1.282 6.093 10.918 1.00 21.31 H new ATOM 0 HD22 LEU A 78 -2.880 5.950 11.689 1.00 21.31 H new ATOM 0 HD23 LEU A 78 -1.844 4.513 11.513 1.00 21.31 H new ATOM 1272 N LEU A 79 -5.280 1.115 10.779 1.00 32.41 N ATOM 1273 CA LEU A 79 -6.443 0.367 11.225 1.00 23.34 C ATOM 1274 C LEU A 79 -6.552 0.489 12.742 1.00 3.33 C ATOM 1275 O LEU A 79 -5.743 -0.074 13.479 1.00 50.05 O ATOM 1276 CB LEU A 79 -6.318 -1.105 10.791 1.00 52.42 C ATOM 1277 CG LEU A 79 -7.629 -1.898 10.674 1.00 52.20 C ATOM 1278 CD1 LEU A 79 -7.376 -3.234 9.996 1.00 72.23 C ATOM 1279 CD2 LEU A 79 -8.266 -2.124 12.035 1.00 1.02 C ATOM 0 H LEU A 79 -4.609 0.564 10.243 1.00 32.41 H new ATOM 0 HA LEU A 79 -7.348 0.771 10.772 1.00 23.34 H new ATOM 0 HB2 LEU A 79 -5.814 -1.134 9.825 1.00 52.42 H new ATOM 0 HB3 LEU A 79 -5.672 -1.617 11.504 1.00 52.42 H new ATOM 0 HG LEU A 79 -8.319 -1.309 10.070 1.00 52.20 H new ATOM 0 HD11 LEU A 79 -8.313 -3.786 9.919 1.00 72.23 H new ATOM 0 HD12 LEU A 79 -6.972 -3.065 8.998 1.00 72.23 H new ATOM 0 HD13 LEU A 79 -6.662 -3.811 10.584 1.00 72.23 H new ATOM 0 HD21 LEU A 79 -9.191 -2.688 11.915 1.00 1.02 H new ATOM 0 HD22 LEU A 79 -7.579 -2.684 12.670 1.00 1.02 H new ATOM 0 HD23 LEU A 79 -8.485 -1.162 12.498 1.00 1.02 H new ATOM 1291 N GLU A 80 -7.537 1.254 13.194 1.00 64.42 N ATOM 1292 CA GLU A 80 -7.666 1.574 14.607 1.00 5.24 C ATOM 1293 C GLU A 80 -8.311 0.440 15.384 1.00 22.05 C ATOM 1294 O GLU A 80 -8.645 -0.602 14.817 1.00 24.44 O ATOM 1295 CB GLU A 80 -8.465 2.858 14.791 1.00 74.00 C ATOM 1296 CG GLU A 80 -7.725 4.097 14.328 1.00 3.11 C ATOM 1297 CD GLU A 80 -8.441 5.367 14.718 1.00 33.34 C ATOM 1298 OE1 GLU A 80 -8.409 5.722 15.914 1.00 14.13 O ATOM 1299 OE2 GLU A 80 -9.040 6.012 13.832 1.00 62.13 O ATOM 0 H GLU A 80 -8.258 1.664 12.601 1.00 64.42 H new ATOM 0 HA GLU A 80 -6.661 1.719 15.003 1.00 5.24 H new ATOM 0 HB2 GLU A 80 -9.402 2.776 14.241 1.00 74.00 H new ATOM 0 HB3 GLU A 80 -8.723 2.970 15.844 1.00 74.00 H new ATOM 0 HG2 GLU A 80 -6.723 4.101 14.756 1.00 3.11 H new ATOM 0 HG3 GLU A 80 -7.609 4.065 13.245 1.00 3.11 H new ATOM 1306 N HIS A 81 -8.502 0.672 16.682 1.00 0.04 N ATOM 1307 CA HIS A 81 -8.974 -0.358 17.600 1.00 42.12 C ATOM 1308 C HIS A 81 -7.922 -1.456 17.715 1.00 2.32 C ATOM 1309 O HIS A 81 -6.723 -1.181 17.660 1.00 53.32 O ATOM 1310 CB HIS A 81 -10.321 -0.949 17.154 1.00 51.42 C ATOM 1311 CG HIS A 81 -11.447 0.039 17.132 1.00 63.43 C ATOM 1312 ND1 HIS A 81 -12.115 0.388 15.980 1.00 1.11 N ATOM 1313 CD2 HIS A 81 -12.034 0.743 18.130 1.00 35.33 C ATOM 1314 CE1 HIS A 81 -13.063 1.261 16.267 1.00 21.31 C ATOM 1315 NE2 HIS A 81 -13.036 1.492 17.564 1.00 31.32 N ATOM 0 H HIS A 81 -8.334 1.576 17.123 1.00 0.04 H new ATOM 0 HA HIS A 81 -9.132 0.102 18.575 1.00 42.12 H new ATOM 0 HB2 HIS A 81 -10.206 -1.375 16.157 1.00 51.42 H new ATOM 0 HB3 HIS A 81 -10.585 -1.769 17.822 1.00 51.42 H new ATOM 0 HD2 HIS A 81 -11.764 0.719 19.175 1.00 35.33 H new ATOM 0 HE1 HIS A 81 -13.745 1.709 15.559 1.00 21.31 H new ATOM 0 HE2 HIS A 81 -13.659 2.125 18.066 1.00 31.32 H new ATOM 1324 N HIS A 82 -8.370 -2.689 17.877 1.00 4.53 N ATOM 1325 CA HIS A 82 -7.476 -3.823 18.043 1.00 45.13 C ATOM 1326 C HIS A 82 -8.269 -5.108 17.888 1.00 40.23 C ATOM 1327 O HIS A 82 -9.447 -5.067 17.531 1.00 51.31 O ATOM 1328 CB HIS A 82 -6.787 -3.782 19.418 1.00 15.23 C ATOM 1329 CG HIS A 82 -7.731 -3.785 20.581 1.00 21.42 C ATOM 1330 ND1 HIS A 82 -7.968 -4.894 21.363 1.00 62.40 N ATOM 1331 CD2 HIS A 82 -8.503 -2.802 21.089 1.00 12.23 C ATOM 1332 CE1 HIS A 82 -8.847 -4.589 22.297 1.00 42.45 C ATOM 1333 NE2 HIS A 82 -9.188 -3.325 22.152 1.00 54.22 N ATOM 0 H HIS A 82 -9.360 -2.932 17.897 1.00 4.53 H new ATOM 0 HA HIS A 82 -6.699 -3.778 17.280 1.00 45.13 H new ATOM 0 HB2 HIS A 82 -6.121 -4.641 19.503 1.00 15.23 H new ATOM 0 HB3 HIS A 82 -6.164 -2.889 19.473 1.00 15.23 H new ATOM 0 HD2 HIS A 82 -8.568 -1.788 20.724 1.00 12.23 H new ATOM 0 HE1 HIS A 82 -9.224 -5.262 23.053 1.00 42.45 H new ATOM 0 HE2 HIS A 82 -9.854 -2.819 22.736 1.00 54.22 H new ATOM 1342 N HIS A 83 -7.635 -6.242 18.152 1.00 54.32 N ATOM 1343 CA HIS A 83 -8.339 -7.514 18.122 1.00 55.42 C ATOM 1344 C HIS A 83 -9.385 -7.525 19.226 1.00 30.01 C ATOM 1345 O HIS A 83 -9.052 -7.614 20.407 1.00 23.11 O ATOM 1346 CB HIS A 83 -7.379 -8.695 18.299 1.00 60.41 C ATOM 1347 CG HIS A 83 -6.332 -8.809 17.231 1.00 74.31 C ATOM 1348 ND1 HIS A 83 -6.605 -9.189 15.934 1.00 42.42 N ATOM 1349 CD2 HIS A 83 -4.999 -8.591 17.279 1.00 70.13 C ATOM 1350 CE1 HIS A 83 -5.484 -9.203 15.237 1.00 22.41 C ATOM 1351 NE2 HIS A 83 -4.498 -8.841 16.028 1.00 14.14 N ATOM 0 H HIS A 83 -6.645 -6.307 18.387 1.00 54.32 H new ATOM 0 HA HIS A 83 -8.817 -7.623 17.148 1.00 55.42 H new ATOM 0 HB2 HIS A 83 -6.885 -8.604 19.266 1.00 60.41 H new ATOM 0 HB3 HIS A 83 -7.958 -9.618 18.322 1.00 60.41 H new ATOM 0 HD2 HIS A 83 -4.433 -8.278 18.144 1.00 70.13 H new ATOM 0 HE1 HIS A 83 -5.392 -9.467 14.194 1.00 22.41 H new ATOM 0 HE2 HIS A 83 -3.519 -8.759 15.755 1.00 14.14 H new ATOM 1360 N HIS A 84 -10.645 -7.415 18.840 1.00 55.30 N ATOM 1361 CA HIS A 84 -11.731 -7.296 19.808 1.00 23.23 C ATOM 1362 C HIS A 84 -12.243 -8.671 20.226 1.00 21.23 C ATOM 1363 O HIS A 84 -13.372 -8.811 20.697 1.00 42.30 O ATOM 1364 CB HIS A 84 -12.872 -6.414 19.263 1.00 50.02 C ATOM 1365 CG HIS A 84 -13.442 -6.842 17.938 1.00 21.42 C ATOM 1366 ND1 HIS A 84 -14.624 -7.539 17.818 1.00 74.32 N ATOM 1367 CD2 HIS A 84 -12.999 -6.641 16.671 1.00 40.22 C ATOM 1368 CE1 HIS A 84 -14.880 -7.755 16.539 1.00 54.35 C ATOM 1369 NE2 HIS A 84 -13.910 -7.218 15.825 1.00 43.14 N ATOM 0 H HIS A 84 -10.945 -7.405 17.865 1.00 55.30 H new ATOM 0 HA HIS A 84 -11.334 -6.805 20.696 1.00 23.23 H new ATOM 0 HB2 HIS A 84 -13.677 -6.397 19.997 1.00 50.02 H new ATOM 0 HB3 HIS A 84 -12.505 -5.392 19.168 1.00 50.02 H new ATOM 0 HD2 HIS A 84 -12.096 -6.123 16.383 1.00 40.22 H new ATOM 0 HE1 HIS A 84 -15.737 -8.281 16.146 1.00 54.35 H new ATOM 0 HE2 HIS A 84 -13.848 -7.230 14.807 1.00 43.14 H new ATOM 1378 N HIS A 85 -11.384 -9.671 20.081 1.00 75.02 N ATOM 1379 CA HIS A 85 -11.679 -11.036 20.503 1.00 24.22 C ATOM 1380 C HIS A 85 -10.393 -11.853 20.439 1.00 40.02 C ATOM 1381 O HIS A 85 -9.405 -11.398 19.857 1.00 71.52 O ATOM 1382 CB HIS A 85 -12.764 -11.672 19.613 1.00 55.30 C ATOM 1383 CG HIS A 85 -12.279 -12.107 18.259 1.00 75.24 C ATOM 1384 ND1 HIS A 85 -12.492 -13.371 17.765 1.00 71.31 N ATOM 1385 CD2 HIS A 85 -11.586 -11.445 17.302 1.00 21.13 C ATOM 1386 CE1 HIS A 85 -11.949 -13.471 16.569 1.00 10.45 C ATOM 1387 NE2 HIS A 85 -11.387 -12.317 16.260 1.00 64.50 N ATOM 0 H HIS A 85 -10.459 -9.559 19.666 1.00 75.02 H new ATOM 0 HA HIS A 85 -12.062 -11.022 21.523 1.00 24.22 H new ATOM 0 HB2 HIS A 85 -13.181 -12.536 20.131 1.00 55.30 H new ATOM 0 HB3 HIS A 85 -13.575 -10.956 19.482 1.00 55.30 H new ATOM 0 HD2 HIS A 85 -11.251 -10.419 17.350 1.00 21.13 H new ATOM 0 HE1 HIS A 85 -11.961 -14.352 15.944 1.00 10.45 H new ATOM 0 HE2 HIS A 85 -10.889 -12.109 15.394 1.00 64.50 H new ATOM 1396 N HIS A 86 -10.392 -13.036 21.030 1.00 64.14 N ATOM 1397 CA HIS A 86 -9.238 -13.920 20.939 1.00 52.51 C ATOM 1398 C HIS A 86 -9.620 -15.218 20.235 1.00 14.01 C ATOM 1399 O HIS A 86 -9.803 -16.247 20.911 1.00 39.30 O ATOM 1400 CB HIS A 86 -8.614 -14.189 22.326 1.00 22.21 C ATOM 1401 CG HIS A 86 -9.575 -14.630 23.400 1.00 32.11 C ATOM 1402 ND1 HIS A 86 -10.131 -15.887 23.451 1.00 3.43 N ATOM 1403 CD2 HIS A 86 -10.044 -13.976 24.487 1.00 71.23 C ATOM 1404 CE1 HIS A 86 -10.897 -15.991 24.517 1.00 45.21 C ATOM 1405 NE2 HIS A 86 -10.865 -14.845 25.169 1.00 53.32 N ATOM 1406 OXT HIS A 86 -9.762 -15.189 18.997 1.00 39.30 O ATOM 0 H HIS A 86 -11.171 -13.406 21.575 1.00 64.14 H new ATOM 0 HA HIS A 86 -8.475 -13.420 20.343 1.00 52.51 H new ATOM 0 HB2 HIS A 86 -7.845 -14.954 22.216 1.00 22.21 H new ATOM 0 HB3 HIS A 86 -8.114 -13.280 22.662 1.00 22.21 H new ATOM 0 HD1 HIS A 86 -9.974 -16.627 22.767 1.00 3.43 H new ATOM 0 HD2 HIS A 86 -9.816 -12.958 24.768 1.00 71.23 H new ATOM 0 HE1 HIS A 86 -11.457 -16.867 24.808 1.00 45.21 H new TER 1415 HIS A 86