USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 532 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 43 HIS : no HD1:sc= 0 X(o=0.78,f=0.68) USER MOD Set 1.2: A 44 SER OG : rot -14:sc= 0.783 USER MOD Set 2.1: A 33 HIS :FLIP no HD1:sc= 0.0276 F(o=-0.75,f=0.025) USER MOD Set 2.2: A 35 SER OG : rot 180:sc=-0.00295 USER MOD Set 3.1: A 23 GLN : amide:sc= -1.31 K(o=-1.3,f=-4.1!) USER MOD Set 3.2: A 25 ASN : amide:sc= 0 X(o=-1.3,f=-1.3) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.464 X(o=-0.46,f=-0.054) USER MOD Single : A 8 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.16) USER MOD Single : A 10 LYS NZ :NH3+ 171:sc= 1.24 (180deg=1.1) USER MOD Single : A 12 TYR OH : rot 180:sc= -0.034 USER MOD Single : A 13 ASN : amide:sc= 1.22 K(o=1.2,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0.00228 USER MOD Single : A 15 THR OG1 : rot 103:sc= 0.0688 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.234 X(o=-0.23,f=-0.0016) USER MOD Single : A 28 LYS NZ :NH3+ -172:sc=-0.00129 (180deg=-0.0663) USER MOD Single : A 34 LYS NZ :NH3+ 160:sc= 1.22 (180deg=0.476) USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-1.6,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 169:sc=-0.00879 (180deg=-0.121) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 1.16 K(o=1.2,f=-0.85) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 3.066 11.716 4.163 1.00 72.34 N ATOM 21 CA ALA A 2 1.629 11.797 4.213 1.00 24.32 C ATOM 22 C ALA A 2 1.182 10.663 5.106 1.00 21.21 C ATOM 23 O ALA A 2 1.260 9.502 4.719 1.00 63.50 O ATOM 24 CB ALA A 2 1.027 11.667 2.820 1.00 21.12 C ATOM 0 HA ALA A 2 1.298 12.761 4.600 1.00 24.32 H new ATOM 0 HB1 ALA A 2 -0.059 11.731 2.886 1.00 21.12 H new ATOM 0 HB2 ALA A 2 1.401 12.471 2.186 1.00 21.12 H new ATOM 0 HB3 ALA A 2 1.308 10.705 2.390 1.00 21.12 H new ATOM 30 N THR A 3 0.786 10.985 6.306 1.00 52.20 N ATOM 31 CA THR A 3 0.487 9.972 7.287 1.00 3.53 C ATOM 32 C THR A 3 -0.992 9.631 7.399 1.00 1.30 C ATOM 33 O THR A 3 -1.859 10.516 7.337 1.00 41.12 O ATOM 34 CB THR A 3 1.060 10.352 8.667 1.00 31.23 C ATOM 35 OG1 THR A 3 0.654 11.697 9.021 1.00 75.41 O ATOM 36 CG2 THR A 3 2.582 10.253 8.668 1.00 31.41 C ATOM 0 H THR A 3 0.662 11.944 6.632 1.00 52.20 H new ATOM 0 HA THR A 3 0.977 9.067 6.927 1.00 3.53 H new ATOM 0 HB THR A 3 0.667 9.652 9.405 1.00 31.23 H new ATOM 0 HG1 THR A 3 1.021 11.929 9.900 1.00 75.41 H new ATOM 0 HG21 THR A 3 2.964 10.526 9.652 1.00 31.41 H new ATOM 0 HG22 THR A 3 2.880 9.231 8.433 1.00 31.41 H new ATOM 0 HG23 THR A 3 2.991 10.931 7.919 1.00 31.41 H new ATOM 44 N ASN A 4 -1.241 8.337 7.573 1.00 52.53 N ATOM 45 CA ASN A 4 -2.565 7.739 7.763 1.00 1.24 C ATOM 46 C ASN A 4 -3.469 8.039 6.580 1.00 15.43 C ATOM 47 O ASN A 4 -4.292 8.957 6.608 1.00 21.32 O ATOM 48 CB ASN A 4 -3.214 8.184 9.084 1.00 3.44 C ATOM 49 CG ASN A 4 -4.423 7.352 9.460 1.00 33.42 C ATOM 50 OD1 ASN A 4 -5.552 7.636 9.062 1.00 55.13 O ATOM 51 ND2 ASN A 4 -4.197 6.341 10.256 1.00 74.44 N ATOM 0 H ASN A 4 -0.494 7.642 7.587 1.00 52.53 H new ATOM 0 HA ASN A 4 -2.428 6.659 7.823 1.00 1.24 H new ATOM 0 HB2 ASN A 4 -2.476 8.124 9.883 1.00 3.44 H new ATOM 0 HB3 ASN A 4 -3.511 9.230 9.002 1.00 3.44 H new ATOM 0 HD21 ASN A 4 -4.971 5.755 10.569 1.00 74.44 H new ATOM 0 HD22 ASN A 4 -3.246 6.137 10.564 1.00 74.44 H new ATOM 58 N ILE A 5 -3.242 7.326 5.525 1.00 73.21 N ATOM 59 CA ILE A 5 -3.963 7.482 4.291 1.00 30.40 C ATOM 60 C ILE A 5 -4.981 6.385 4.131 1.00 45.33 C ATOM 61 O ILE A 5 -4.789 5.278 4.616 1.00 14.41 O ATOM 62 CB ILE A 5 -2.983 7.427 3.104 1.00 0.32 C ATOM 63 CG1 ILE A 5 -1.933 8.504 3.270 1.00 71.41 C ATOM 64 CG2 ILE A 5 -3.699 7.547 1.751 1.00 2.14 C ATOM 65 CD1 ILE A 5 -0.974 8.578 2.135 1.00 62.54 C ATOM 0 H ILE A 5 -2.530 6.596 5.491 1.00 73.21 H new ATOM 0 HA ILE A 5 -4.472 8.446 4.312 1.00 30.40 H new ATOM 0 HB ILE A 5 -2.499 6.450 3.105 1.00 0.32 H new ATOM 0 HG12 ILE A 5 -2.428 9.469 3.381 1.00 71.41 H new ATOM 0 HG13 ILE A 5 -1.380 8.322 4.191 1.00 71.41 H new ATOM 0 HG21 ILE A 5 -2.965 7.503 0.946 1.00 2.14 H new ATOM 0 HG22 ILE A 5 -4.408 6.727 1.641 1.00 2.14 H new ATOM 0 HG23 ILE A 5 -4.232 8.497 1.704 1.00 2.14 H new ATOM 0 HD11 ILE A 5 -0.250 9.371 2.321 1.00 62.54 H new ATOM 0 HD12 ILE A 5 -0.452 7.626 2.037 1.00 62.54 H new ATOM 0 HD13 ILE A 5 -1.516 8.791 1.214 1.00 62.54 H new ATOM 77 N VAL A 6 -6.039 6.703 3.452 1.00 41.42 N ATOM 78 CA VAL A 6 -7.081 5.774 3.154 1.00 61.02 C ATOM 79 C VAL A 6 -6.906 5.242 1.749 1.00 44.14 C ATOM 80 O VAL A 6 -6.571 5.994 0.828 1.00 40.43 O ATOM 81 CB VAL A 6 -8.464 6.461 3.224 1.00 40.34 C ATOM 82 CG1 VAL A 6 -9.578 5.520 2.772 1.00 61.25 C ATOM 83 CG2 VAL A 6 -8.735 6.998 4.617 1.00 50.31 C ATOM 0 H VAL A 6 -6.205 7.639 3.081 1.00 41.42 H new ATOM 0 HA VAL A 6 -7.028 4.968 3.886 1.00 61.02 H new ATOM 0 HB VAL A 6 -8.448 7.305 2.535 1.00 40.34 H new ATOM 0 HG11 VAL A 6 -10.537 6.035 2.834 1.00 61.25 H new ATOM 0 HG12 VAL A 6 -9.398 5.211 1.742 1.00 61.25 H new ATOM 0 HG13 VAL A 6 -9.596 4.641 3.417 1.00 61.25 H new ATOM 0 HG21 VAL A 6 -9.714 7.476 4.638 1.00 50.31 H new ATOM 0 HG22 VAL A 6 -8.716 6.177 5.333 1.00 50.31 H new ATOM 0 HG23 VAL A 6 -7.969 7.727 4.881 1.00 50.31 H new ATOM 93 N GLY A 7 -7.073 3.969 1.602 1.00 44.52 N ATOM 94 CA GLY A 7 -7.169 3.391 0.306 1.00 75.13 C ATOM 95 C GLY A 7 -7.453 1.939 0.337 1.00 32.22 C ATOM 96 O GLY A 7 -7.205 1.277 1.308 1.00 51.11 O ATOM 0 H GLY A 7 -7.146 3.305 2.373 1.00 44.52 H new ATOM 0 HA2 GLY A 7 -7.956 3.897 -0.254 1.00 75.13 H new ATOM 0 HA3 GLY A 7 -6.236 3.561 -0.231 1.00 75.13 H new ATOM 100 N LYS A 8 -7.986 1.463 -0.716 1.00 43.41 N ATOM 101 CA LYS A 8 -8.338 0.094 -0.860 1.00 24.11 C ATOM 102 C LYS A 8 -7.278 -0.635 -1.653 1.00 51.42 C ATOM 103 O LYS A 8 -6.727 -0.097 -2.627 1.00 72.04 O ATOM 104 CB LYS A 8 -9.691 0.001 -1.545 1.00 63.23 C ATOM 105 CG LYS A 8 -10.182 -1.411 -1.808 1.00 63.32 C ATOM 106 CD LYS A 8 -11.573 -1.390 -2.404 1.00 74.30 C ATOM 107 CE LYS A 8 -12.592 -0.885 -1.391 1.00 2.33 C ATOM 108 NZ LYS A 8 -13.921 -0.680 -1.984 1.00 41.42 N ATOM 0 H LYS A 8 -8.201 2.029 -1.537 1.00 43.41 H new ATOM 0 HA LYS A 8 -8.404 -0.377 0.121 1.00 24.11 H new ATOM 0 HB2 LYS A 8 -10.429 0.517 -0.931 1.00 63.23 H new ATOM 0 HB3 LYS A 8 -9.638 0.534 -2.494 1.00 63.23 H new ATOM 0 HG2 LYS A 8 -9.497 -1.919 -2.487 1.00 63.32 H new ATOM 0 HG3 LYS A 8 -10.188 -1.979 -0.878 1.00 63.32 H new ATOM 0 HD2 LYS A 8 -11.585 -0.751 -3.287 1.00 74.30 H new ATOM 0 HD3 LYS A 8 -11.847 -2.393 -2.732 1.00 74.30 H new ATOM 0 HE2 LYS A 8 -12.670 -1.599 -0.572 1.00 2.33 H new ATOM 0 HE3 LYS A 8 -12.240 0.054 -0.963 1.00 2.33 H new ATOM 0 HZ1 LYS A 8 -14.564 -0.288 -1.267 1.00 41.42 H new ATOM 0 HZ2 LYS A 8 -13.847 -0.017 -2.782 1.00 41.42 H new ATOM 0 HZ3 LYS A 8 -14.294 -1.590 -2.324 1.00 41.42 H new ATOM 122 N VAL A 9 -6.977 -1.841 -1.228 1.00 35.21 N ATOM 123 CA VAL A 9 -6.013 -2.668 -1.896 1.00 21.43 C ATOM 124 C VAL A 9 -6.515 -3.000 -3.287 1.00 2.12 C ATOM 125 O VAL A 9 -7.497 -3.738 -3.451 1.00 13.25 O ATOM 126 CB VAL A 9 -5.723 -3.986 -1.111 1.00 53.23 C ATOM 127 CG1 VAL A 9 -4.695 -4.845 -1.838 1.00 61.31 C ATOM 128 CG2 VAL A 9 -5.244 -3.682 0.300 1.00 1.41 C ATOM 0 H VAL A 9 -7.399 -2.272 -0.406 1.00 35.21 H new ATOM 0 HA VAL A 9 -5.078 -2.111 -1.954 1.00 21.43 H new ATOM 0 HB VAL A 9 -6.657 -4.545 -1.051 1.00 53.23 H new ATOM 0 HG11 VAL A 9 -4.513 -5.756 -1.268 1.00 61.31 H new ATOM 0 HG12 VAL A 9 -5.072 -5.105 -2.827 1.00 61.31 H new ATOM 0 HG13 VAL A 9 -3.763 -4.289 -1.940 1.00 61.31 H new ATOM 0 HG21 VAL A 9 -5.049 -4.616 0.827 1.00 1.41 H new ATOM 0 HG22 VAL A 9 -4.328 -3.093 0.254 1.00 1.41 H new ATOM 0 HG23 VAL A 9 -6.011 -3.119 0.831 1.00 1.41 H new ATOM 138 N LYS A 10 -5.888 -2.395 -4.267 1.00 2.21 N ATOM 139 CA LYS A 10 -6.187 -2.632 -5.661 1.00 53.45 C ATOM 140 C LYS A 10 -5.824 -4.067 -6.029 1.00 52.42 C ATOM 141 O LYS A 10 -6.599 -4.765 -6.669 1.00 10.50 O ATOM 142 CB LYS A 10 -5.442 -1.606 -6.514 1.00 34.20 C ATOM 143 CG LYS A 10 -5.586 -1.772 -8.001 1.00 1.40 C ATOM 144 CD LYS A 10 -5.014 -0.579 -8.749 1.00 62.32 C ATOM 145 CE LYS A 10 -5.910 0.633 -8.594 1.00 33.31 C ATOM 146 NZ LYS A 10 -5.514 1.778 -9.452 1.00 24.11 N ATOM 0 H LYS A 10 -5.144 -1.713 -4.117 1.00 2.21 H new ATOM 0 HA LYS A 10 -7.254 -2.511 -5.850 1.00 53.45 H new ATOM 0 HB2 LYS A 10 -5.792 -0.610 -6.242 1.00 34.20 H new ATOM 0 HB3 LYS A 10 -4.382 -1.651 -6.262 1.00 34.20 H new ATOM 0 HG2 LYS A 10 -5.076 -2.681 -8.318 1.00 1.40 H new ATOM 0 HG3 LYS A 10 -6.639 -1.892 -8.255 1.00 1.40 H new ATOM 0 HD2 LYS A 10 -4.017 -0.351 -8.371 1.00 62.32 H new ATOM 0 HD3 LYS A 10 -4.906 -0.824 -9.806 1.00 62.32 H new ATOM 0 HE2 LYS A 10 -6.935 0.349 -8.831 1.00 33.31 H new ATOM 0 HE3 LYS A 10 -5.900 0.951 -7.551 1.00 33.31 H new ATOM 0 HZ1 LYS A 10 -6.249 2.512 -9.412 1.00 24.11 H new ATOM 0 HZ2 LYS A 10 -4.613 2.171 -9.112 1.00 24.11 H new ATOM 0 HZ3 LYS A 10 -5.401 1.454 -10.434 1.00 24.11 H new ATOM 160 N TRP A 11 -4.646 -4.477 -5.615 1.00 63.43 N ATOM 161 CA TRP A 11 -4.178 -5.868 -5.729 1.00 14.42 C ATOM 162 C TRP A 11 -2.858 -6.010 -5.037 1.00 5.51 C ATOM 163 O TRP A 11 -2.183 -5.009 -4.786 1.00 52.51 O ATOM 164 CB TRP A 11 -4.068 -6.399 -7.190 1.00 22.03 C ATOM 165 CG TRP A 11 -3.105 -5.680 -8.097 1.00 54.12 C ATOM 166 CD1 TRP A 11 -3.373 -4.646 -8.935 1.00 50.51 C ATOM 167 CD2 TRP A 11 -1.722 -5.982 -8.271 1.00 24.10 C ATOM 168 NE1 TRP A 11 -2.236 -4.281 -9.606 1.00 0.21 N ATOM 169 CE2 TRP A 11 -1.208 -5.088 -9.212 1.00 23.32 C ATOM 170 CE3 TRP A 11 -0.878 -6.918 -7.710 1.00 14.54 C ATOM 171 CZ2 TRP A 11 0.127 -5.107 -9.609 1.00 34.24 C ATOM 172 CZ3 TRP A 11 0.448 -6.946 -8.098 1.00 12.34 C ATOM 173 CH2 TRP A 11 0.938 -6.044 -9.039 1.00 72.31 C ATOM 0 H TRP A 11 -3.965 -3.855 -5.181 1.00 63.43 H new ATOM 0 HA TRP A 11 -4.942 -6.481 -5.250 1.00 14.42 H new ATOM 0 HB2 TRP A 11 -3.779 -7.449 -7.150 1.00 22.03 H new ATOM 0 HB3 TRP A 11 -5.058 -6.358 -7.643 1.00 22.03 H new ATOM 0 HD1 TRP A 11 -4.340 -4.180 -9.055 1.00 50.51 H new ATOM 0 HE1 TRP A 11 -2.168 -3.527 -10.290 1.00 0.21 H new ATOM 0 HE3 TRP A 11 -1.249 -7.620 -6.977 1.00 14.54 H new ATOM 0 HZ2 TRP A 11 0.505 -4.407 -10.340 1.00 34.24 H new ATOM 0 HZ3 TRP A 11 1.114 -7.678 -7.665 1.00 12.34 H new ATOM 0 HH2 TRP A 11 1.979 -6.087 -9.323 1.00 72.31 H new ATOM 184 N TYR A 12 -2.489 -7.226 -4.727 1.00 63.51 N ATOM 185 CA TYR A 12 -1.211 -7.498 -4.102 1.00 71.12 C ATOM 186 C TYR A 12 -0.742 -8.904 -4.406 1.00 41.22 C ATOM 187 O TYR A 12 -1.431 -9.887 -4.106 1.00 33.44 O ATOM 188 CB TYR A 12 -1.263 -7.268 -2.578 1.00 55.45 C ATOM 189 CG TYR A 12 0.069 -7.505 -1.865 1.00 22.42 C ATOM 190 CD1 TYR A 12 1.113 -6.603 -1.999 1.00 53.32 C ATOM 191 CD2 TYR A 12 0.271 -8.620 -1.050 1.00 71.44 C ATOM 192 CE1 TYR A 12 2.319 -6.794 -1.350 1.00 62.43 C ATOM 193 CE2 TYR A 12 1.478 -8.818 -0.396 1.00 53.33 C ATOM 194 CZ TYR A 12 2.499 -7.900 -0.552 1.00 75.20 C ATOM 195 OH TYR A 12 3.700 -8.079 0.105 1.00 70.50 O ATOM 0 H TYR A 12 -3.059 -8.055 -4.898 1.00 63.51 H new ATOM 0 HA TYR A 12 -0.492 -6.796 -4.524 1.00 71.12 H new ATOM 0 HB2 TYR A 12 -1.588 -6.245 -2.387 1.00 55.45 H new ATOM 0 HB3 TYR A 12 -2.016 -7.928 -2.147 1.00 55.45 H new ATOM 0 HD1 TYR A 12 0.982 -5.732 -2.624 1.00 53.32 H new ATOM 0 HD2 TYR A 12 -0.525 -9.340 -0.927 1.00 71.44 H new ATOM 0 HE1 TYR A 12 3.118 -6.077 -1.469 1.00 62.43 H new ATOM 0 HE2 TYR A 12 1.619 -9.685 0.232 1.00 53.33 H new ATOM 0 HH TYR A 12 3.666 -8.907 0.628 1.00 70.50 H new ATOM 205 N ASN A 13 0.416 -8.998 -5.002 1.00 0.32 N ATOM 206 CA ASN A 13 1.036 -10.271 -5.261 1.00 41.54 C ATOM 207 C ASN A 13 2.325 -10.364 -4.538 1.00 1.44 C ATOM 208 O ASN A 13 3.317 -9.722 -4.910 1.00 75.20 O ATOM 209 CB ASN A 13 1.226 -10.589 -6.756 1.00 33.33 C ATOM 210 CG ASN A 13 -0.055 -11.009 -7.447 1.00 71.33 C ATOM 211 OD1 ASN A 13 -0.390 -12.193 -7.474 1.00 11.21 O ATOM 212 ND2 ASN A 13 -0.754 -10.086 -8.030 1.00 34.52 N ATOM 0 H ASN A 13 0.957 -8.195 -5.322 1.00 0.32 H new ATOM 0 HA ASN A 13 0.344 -11.027 -4.889 1.00 41.54 H new ATOM 0 HB2 ASN A 13 1.630 -9.710 -7.259 1.00 33.33 H new ATOM 0 HB3 ASN A 13 1.964 -11.384 -6.860 1.00 33.33 H new ATOM 0 HD21 ASN A 13 -1.609 -10.332 -8.529 1.00 34.52 H new ATOM 0 HD22 ASN A 13 -0.449 -9.113 -7.989 1.00 34.52 H new ATOM 219 N SER A 14 2.313 -11.154 -3.503 1.00 63.01 N ATOM 220 CA SER A 14 3.450 -11.406 -2.657 1.00 44.31 C ATOM 221 C SER A 14 4.633 -11.929 -3.470 1.00 44.22 C ATOM 222 O SER A 14 5.779 -11.685 -3.134 1.00 2.22 O ATOM 223 CB SER A 14 3.029 -12.408 -1.596 1.00 3.42 C ATOM 224 OG SER A 14 2.431 -13.544 -2.205 1.00 30.34 O ATOM 0 H SER A 14 1.478 -11.662 -3.211 1.00 63.01 H new ATOM 0 HA SER A 14 3.778 -10.480 -2.185 1.00 44.31 H new ATOM 0 HB2 SER A 14 3.896 -12.714 -1.010 1.00 3.42 H new ATOM 0 HB3 SER A 14 2.325 -11.944 -0.905 1.00 3.42 H new ATOM 0 HG SER A 14 2.165 -14.184 -1.512 1.00 30.34 H new ATOM 230 N THR A 15 4.318 -12.618 -4.552 1.00 62.43 N ATOM 231 CA THR A 15 5.275 -13.181 -5.476 1.00 25.35 C ATOM 232 C THR A 15 6.129 -12.065 -6.123 1.00 64.44 C ATOM 233 O THR A 15 7.314 -12.247 -6.393 1.00 5.24 O ATOM 234 CB THR A 15 4.491 -13.888 -6.574 1.00 3.33 C ATOM 235 OG1 THR A 15 3.412 -14.605 -5.951 1.00 54.15 O ATOM 236 CG2 THR A 15 5.375 -14.876 -7.321 1.00 65.03 C ATOM 0 H THR A 15 3.351 -12.806 -4.818 1.00 62.43 H new ATOM 0 HA THR A 15 5.937 -13.866 -4.947 1.00 25.35 H new ATOM 0 HB THR A 15 4.120 -13.152 -7.288 1.00 3.33 H new ATOM 0 HG1 THR A 15 2.574 -14.113 -6.081 1.00 54.15 H new ATOM 0 HG21 THR A 15 4.793 -15.368 -8.100 1.00 65.03 H new ATOM 0 HG22 THR A 15 6.212 -14.345 -7.774 1.00 65.03 H new ATOM 0 HG23 THR A 15 5.754 -15.624 -6.624 1.00 65.03 H new ATOM 244 N LYS A 16 5.511 -10.914 -6.352 1.00 14.53 N ATOM 245 CA LYS A 16 6.205 -9.785 -6.952 1.00 34.25 C ATOM 246 C LYS A 16 6.694 -8.838 -5.873 1.00 44.12 C ATOM 247 O LYS A 16 7.434 -7.893 -6.144 1.00 14.41 O ATOM 248 CB LYS A 16 5.291 -9.045 -7.937 1.00 43.22 C ATOM 249 CG LYS A 16 4.862 -9.874 -9.144 1.00 30.24 C ATOM 250 CD LYS A 16 4.003 -9.055 -10.098 1.00 31.25 C ATOM 251 CE LYS A 16 3.646 -9.852 -11.345 1.00 14.51 C ATOM 252 NZ LYS A 16 2.810 -9.073 -12.285 1.00 55.20 N ATOM 0 H LYS A 16 4.531 -10.739 -6.131 1.00 14.53 H new ATOM 0 HA LYS A 16 7.065 -10.164 -7.504 1.00 34.25 H new ATOM 0 HB2 LYS A 16 4.400 -8.711 -7.406 1.00 43.22 H new ATOM 0 HB3 LYS A 16 5.806 -8.151 -8.290 1.00 43.22 H new ATOM 0 HG2 LYS A 16 5.744 -10.241 -9.669 1.00 30.24 H new ATOM 0 HG3 LYS A 16 4.305 -10.748 -8.808 1.00 30.24 H new ATOM 0 HD2 LYS A 16 3.091 -8.741 -9.591 1.00 31.25 H new ATOM 0 HD3 LYS A 16 4.536 -8.148 -10.384 1.00 31.25 H new ATOM 0 HE2 LYS A 16 4.561 -10.165 -11.848 1.00 14.51 H new ATOM 0 HE3 LYS A 16 3.115 -10.759 -11.055 1.00 14.51 H new ATOM 0 HZ1 LYS A 16 2.591 -9.655 -13.119 1.00 55.20 H new ATOM 0 HZ2 LYS A 16 1.925 -8.796 -11.814 1.00 55.20 H new ATOM 0 HZ3 LYS A 16 3.325 -8.220 -12.583 1.00 55.20 H new ATOM 266 N ASN A 17 6.276 -9.128 -4.646 1.00 64.32 N ATOM 267 CA ASN A 17 6.610 -8.348 -3.446 1.00 44.33 C ATOM 268 C ASN A 17 6.000 -6.943 -3.517 1.00 12.05 C ATOM 269 O ASN A 17 6.464 -6.024 -2.826 1.00 72.11 O ATOM 270 CB ASN A 17 8.144 -8.231 -3.236 1.00 12.13 C ATOM 271 CG ASN A 17 8.911 -9.559 -3.129 1.00 41.21 C ATOM 272 OD1 ASN A 17 10.078 -9.636 -3.519 1.00 63.22 O ATOM 273 ND2 ASN A 17 8.286 -10.589 -2.622 1.00 74.02 N ATOM 0 H ASN A 17 5.680 -9.931 -4.447 1.00 64.32 H new ATOM 0 HA ASN A 17 6.187 -8.886 -2.597 1.00 44.33 H new ATOM 0 HB2 ASN A 17 8.562 -7.658 -4.064 1.00 12.13 H new ATOM 0 HB3 ASN A 17 8.324 -7.656 -2.328 1.00 12.13 H new ATOM 0 HD21 ASN A 17 8.764 -11.486 -2.541 1.00 74.02 H new ATOM 0 HD22 ASN A 17 7.320 -10.495 -2.308 1.00 74.02 H new ATOM 280 N PHE A 18 4.952 -6.772 -4.327 1.00 64.03 N ATOM 281 CA PHE A 18 4.289 -5.484 -4.416 1.00 21.31 C ATOM 282 C PHE A 18 2.863 -5.631 -4.915 1.00 75.13 C ATOM 283 O PHE A 18 2.411 -6.735 -5.281 1.00 14.45 O ATOM 284 CB PHE A 18 5.065 -4.444 -5.293 1.00 71.50 C ATOM 285 CG PHE A 18 5.094 -4.700 -6.788 1.00 33.54 C ATOM 286 CD1 PHE A 18 6.086 -5.461 -7.363 1.00 2.51 C ATOM 287 CD2 PHE A 18 4.119 -4.149 -7.616 1.00 12.12 C ATOM 288 CE1 PHE A 18 6.110 -5.678 -8.728 1.00 20.50 C ATOM 289 CE2 PHE A 18 4.141 -4.361 -8.977 1.00 1.22 C ATOM 290 CZ PHE A 18 5.137 -5.128 -9.533 1.00 43.35 C ATOM 0 H PHE A 18 4.555 -7.501 -4.919 1.00 64.03 H new ATOM 0 HA PHE A 18 4.273 -5.091 -3.400 1.00 21.31 H new ATOM 0 HB2 PHE A 18 4.625 -3.461 -5.125 1.00 71.50 H new ATOM 0 HB3 PHE A 18 6.094 -4.398 -4.936 1.00 71.50 H new ATOM 0 HD1 PHE A 18 6.855 -5.894 -6.740 1.00 2.51 H new ATOM 0 HD2 PHE A 18 3.334 -3.546 -7.184 1.00 12.12 H new ATOM 0 HE1 PHE A 18 6.893 -6.280 -9.164 1.00 20.50 H new ATOM 0 HE2 PHE A 18 3.378 -3.926 -9.605 1.00 1.22 H new ATOM 0 HZ PHE A 18 5.157 -5.299 -10.599 1.00 43.35 H new ATOM 300 N GLY A 19 2.175 -4.530 -4.921 1.00 34.45 N ATOM 301 CA GLY A 19 0.834 -4.448 -5.392 1.00 70.40 C ATOM 302 C GLY A 19 0.455 -3.010 -5.519 1.00 43.25 C ATOM 303 O GLY A 19 1.322 -2.155 -5.474 1.00 31.53 O ATOM 0 H GLY A 19 2.546 -3.640 -4.588 1.00 34.45 H new ATOM 0 HA2 GLY A 19 0.741 -4.949 -6.356 1.00 70.40 H new ATOM 0 HA3 GLY A 19 0.160 -4.956 -4.702 1.00 70.40 H new ATOM 307 N PHE A 20 -0.806 -2.729 -5.638 1.00 72.45 N ATOM 308 CA PHE A 20 -1.284 -1.367 -5.762 1.00 13.44 C ATOM 309 C PHE A 20 -2.422 -1.107 -4.827 1.00 35.42 C ATOM 310 O PHE A 20 -3.149 -2.026 -4.458 1.00 4.12 O ATOM 311 CB PHE A 20 -1.670 -1.008 -7.199 1.00 12.03 C ATOM 312 CG PHE A 20 -0.497 -0.789 -8.109 1.00 23.44 C ATOM 313 CD1 PHE A 20 0.055 -1.831 -8.819 1.00 5.30 C ATOM 314 CD2 PHE A 20 0.057 0.473 -8.242 1.00 41.41 C ATOM 315 CE1 PHE A 20 1.137 -1.628 -9.647 1.00 33.54 C ATOM 316 CE2 PHE A 20 1.140 0.683 -9.067 1.00 44.22 C ATOM 317 CZ PHE A 20 1.679 -0.372 -9.771 1.00 33.21 C ATOM 0 H PHE A 20 -1.544 -3.433 -5.653 1.00 72.45 H new ATOM 0 HA PHE A 20 -0.452 -0.720 -5.484 1.00 13.44 H new ATOM 0 HB2 PHE A 20 -2.290 -1.806 -7.608 1.00 12.03 H new ATOM 0 HB3 PHE A 20 -2.280 -0.105 -7.186 1.00 12.03 H new ATOM 0 HD1 PHE A 20 -0.366 -2.821 -8.726 1.00 5.30 H new ATOM 0 HD2 PHE A 20 -0.365 1.302 -7.693 1.00 41.41 H new ATOM 0 HE1 PHE A 20 1.559 -2.456 -10.198 1.00 33.54 H new ATOM 0 HE2 PHE A 20 1.565 1.671 -9.162 1.00 44.22 H new ATOM 0 HZ PHE A 20 2.527 -0.211 -10.420 1.00 33.21 H new ATOM 327 N ILE A 21 -2.564 0.134 -4.438 1.00 51.22 N ATOM 328 CA ILE A 21 -3.597 0.572 -3.521 1.00 31.32 C ATOM 329 C ILE A 21 -4.096 1.953 -3.950 1.00 22.14 C ATOM 330 O ILE A 21 -3.293 2.802 -4.310 1.00 3.14 O ATOM 331 CB ILE A 21 -3.020 0.714 -2.070 1.00 42.12 C ATOM 332 CG1 ILE A 21 -2.383 -0.595 -1.581 1.00 35.44 C ATOM 333 CG2 ILE A 21 -4.105 1.165 -1.104 1.00 21.22 C ATOM 334 CD1 ILE A 21 -1.738 -0.490 -0.213 1.00 11.15 C ATOM 0 H ILE A 21 -1.954 0.888 -4.754 1.00 51.22 H new ATOM 0 HA ILE A 21 -4.401 -0.164 -3.534 1.00 31.32 H new ATOM 0 HB ILE A 21 -2.238 1.473 -2.103 1.00 42.12 H new ATOM 0 HG12 ILE A 21 -3.147 -1.371 -1.553 1.00 35.44 H new ATOM 0 HG13 ILE A 21 -1.631 -0.914 -2.303 1.00 35.44 H new ATOM 0 HG21 ILE A 21 -3.685 1.258 -0.102 1.00 21.22 H new ATOM 0 HG22 ILE A 21 -4.498 2.130 -1.423 1.00 21.22 H new ATOM 0 HG23 ILE A 21 -4.911 0.431 -1.093 1.00 21.22 H new ATOM 0 HD11 ILE A 21 -1.311 -1.454 0.063 1.00 11.15 H new ATOM 0 HD12 ILE A 21 -0.950 0.262 -0.239 1.00 11.15 H new ATOM 0 HD13 ILE A 21 -2.489 -0.203 0.522 1.00 11.15 H new ATOM 346 N GLU A 22 -5.397 2.148 -3.983 1.00 45.31 N ATOM 347 CA GLU A 22 -5.955 3.479 -4.181 1.00 34.43 C ATOM 348 C GLU A 22 -7.215 3.562 -3.365 1.00 24.43 C ATOM 349 O GLU A 22 -7.857 2.544 -3.142 1.00 11.31 O ATOM 350 CB GLU A 22 -6.303 3.801 -5.640 1.00 51.41 C ATOM 351 CG GLU A 22 -7.499 3.041 -6.184 1.00 41.23 C ATOM 352 CD GLU A 22 -7.965 3.611 -7.500 1.00 12.25 C ATOM 353 OE1 GLU A 22 -8.619 4.674 -7.495 1.00 42.11 O ATOM 354 OE2 GLU A 22 -7.703 3.010 -8.551 1.00 72.24 O ATOM 0 H GLU A 22 -6.091 1.408 -3.876 1.00 45.31 H new ATOM 0 HA GLU A 22 -5.196 4.201 -3.878 1.00 34.43 H new ATOM 0 HB2 GLU A 22 -6.498 4.870 -5.726 1.00 51.41 H new ATOM 0 HB3 GLU A 22 -5.436 3.584 -6.264 1.00 51.41 H new ATOM 0 HG2 GLU A 22 -7.236 1.991 -6.314 1.00 41.23 H new ATOM 0 HG3 GLU A 22 -8.314 3.078 -5.461 1.00 41.23 H new ATOM 361 N GLN A 23 -7.589 4.718 -2.917 1.00 22.33 N ATOM 362 CA GLN A 23 -8.843 4.793 -2.221 1.00 55.44 C ATOM 363 C GLN A 23 -9.944 4.958 -3.209 1.00 25.03 C ATOM 364 O GLN A 23 -9.740 5.524 -4.297 1.00 43.23 O ATOM 365 CB GLN A 23 -8.899 5.892 -1.169 1.00 71.14 C ATOM 366 CG GLN A 23 -8.854 7.287 -1.694 1.00 73.14 C ATOM 367 CD GLN A 23 -8.894 8.290 -0.591 1.00 5.10 C ATOM 368 OE1 GLN A 23 -9.960 8.732 -0.180 1.00 23.32 O ATOM 369 NE2 GLN A 23 -7.750 8.631 -0.083 1.00 61.42 N ATOM 0 H GLN A 23 -7.073 5.592 -3.012 1.00 22.33 H new ATOM 0 HA GLN A 23 -8.959 3.858 -1.673 1.00 55.44 H new ATOM 0 HB2 GLN A 23 -9.814 5.770 -0.590 1.00 71.14 H new ATOM 0 HB3 GLN A 23 -8.065 5.755 -0.481 1.00 71.14 H new ATOM 0 HG2 GLN A 23 -7.946 7.426 -2.281 1.00 73.14 H new ATOM 0 HG3 GLN A 23 -9.696 7.451 -2.366 1.00 73.14 H new ATOM 0 HE21 GLN A 23 -6.887 8.237 -0.458 1.00 61.42 H new ATOM 0 HE22 GLN A 23 -7.713 9.293 0.692 1.00 61.42 H new ATOM 378 N ASP A 24 -11.096 4.482 -2.835 1.00 32.42 N ATOM 379 CA ASP A 24 -12.292 4.549 -3.657 1.00 20.43 C ATOM 380 C ASP A 24 -12.621 5.974 -4.051 1.00 43.33 C ATOM 381 O ASP A 24 -13.197 6.222 -5.113 1.00 4.31 O ATOM 382 CB ASP A 24 -13.476 3.952 -2.925 1.00 53.24 C ATOM 383 CG ASP A 24 -13.338 2.487 -2.638 1.00 4.21 C ATOM 384 OD1 ASP A 24 -12.745 2.145 -1.624 1.00 52.44 O ATOM 385 OD2 ASP A 24 -13.851 1.649 -3.422 1.00 31.51 O ATOM 0 H ASP A 24 -11.244 4.026 -1.935 1.00 32.42 H new ATOM 0 HA ASP A 24 -12.091 3.975 -4.562 1.00 20.43 H new ATOM 0 HB2 ASP A 24 -13.615 4.485 -1.984 1.00 53.24 H new ATOM 0 HB3 ASP A 24 -14.376 4.113 -3.519 1.00 53.24 H new ATOM 390 N ASN A 25 -12.217 6.924 -3.216 1.00 52.22 N ATOM 391 CA ASN A 25 -12.479 8.336 -3.484 1.00 43.23 C ATOM 392 C ASN A 25 -11.546 8.889 -4.552 1.00 62.24 C ATOM 393 O ASN A 25 -11.601 10.066 -4.876 1.00 64.33 O ATOM 394 CB ASN A 25 -12.411 9.204 -2.211 1.00 34.22 C ATOM 395 CG ASN A 25 -13.481 8.866 -1.186 1.00 13.43 C ATOM 396 OD1 ASN A 25 -14.587 9.390 -1.236 1.00 55.41 O ATOM 397 ND2 ASN A 25 -13.161 8.012 -0.239 1.00 72.22 N ATOM 0 H ASN A 25 -11.708 6.745 -2.350 1.00 52.22 H new ATOM 0 HA ASN A 25 -13.501 8.385 -3.859 1.00 43.23 H new ATOM 0 HB2 ASN A 25 -11.430 9.085 -1.752 1.00 34.22 H new ATOM 0 HB3 ASN A 25 -12.507 10.253 -2.491 1.00 34.22 H new ATOM 0 HD21 ASN A 25 -13.842 7.770 0.481 1.00 72.22 H new ATOM 0 HD22 ASN A 25 -12.232 7.592 -0.224 1.00 72.22 H new ATOM 404 N GLY A 26 -10.697 8.044 -5.108 1.00 52.04 N ATOM 405 CA GLY A 26 -9.822 8.495 -6.147 1.00 52.11 C ATOM 406 C GLY A 26 -8.463 8.832 -5.626 1.00 50.03 C ATOM 407 O GLY A 26 -7.966 9.924 -5.854 1.00 71.44 O ATOM 0 H GLY A 26 -10.603 7.060 -4.856 1.00 52.04 H new ATOM 0 HA2 GLY A 26 -9.736 7.722 -6.910 1.00 52.11 H new ATOM 0 HA3 GLY A 26 -10.253 9.372 -6.629 1.00 52.11 H new ATOM 411 N GLY A 27 -7.874 7.916 -4.893 1.00 33.10 N ATOM 412 CA GLY A 27 -6.549 8.163 -4.361 1.00 14.30 C ATOM 413 C GLY A 27 -5.486 7.911 -5.410 1.00 63.04 C ATOM 414 O GLY A 27 -5.791 7.381 -6.483 1.00 24.20 O ATOM 0 H GLY A 27 -8.278 7.011 -4.654 1.00 33.10 H new ATOM 0 HA2 GLY A 27 -6.481 9.192 -4.009 1.00 14.30 H new ATOM 0 HA3 GLY A 27 -6.374 7.519 -3.499 1.00 14.30 H new ATOM 418 N LYS A 28 -4.259 8.286 -5.116 1.00 14.25 N ATOM 419 CA LYS A 28 -3.158 8.112 -6.060 1.00 64.43 C ATOM 420 C LYS A 28 -2.863 6.650 -6.307 1.00 34.52 C ATOM 421 O LYS A 28 -3.145 5.794 -5.457 1.00 63.12 O ATOM 422 CB LYS A 28 -1.889 8.763 -5.537 1.00 3.51 C ATOM 423 CG LYS A 28 -1.993 10.245 -5.293 1.00 44.31 C ATOM 424 CD LYS A 28 -0.669 10.781 -4.816 1.00 73.51 C ATOM 425 CE LYS A 28 -0.717 12.273 -4.539 1.00 42.12 C ATOM 426 NZ LYS A 28 -1.021 13.080 -5.747 1.00 55.11 N ATOM 0 H LYS A 28 -3.991 8.715 -4.230 1.00 14.25 H new ATOM 0 HA LYS A 28 -3.470 8.584 -6.992 1.00 64.43 H new ATOM 0 HB2 LYS A 28 -1.605 8.275 -4.605 1.00 3.51 H new ATOM 0 HB3 LYS A 28 -1.084 8.582 -6.250 1.00 3.51 H new ATOM 0 HG2 LYS A 28 -2.292 10.753 -6.210 1.00 44.31 H new ATOM 0 HG3 LYS A 28 -2.765 10.447 -4.551 1.00 44.31 H new ATOM 0 HD2 LYS A 28 -0.372 10.255 -3.909 1.00 73.51 H new ATOM 0 HD3 LYS A 28 0.095 10.578 -5.567 1.00 73.51 H new ATOM 0 HE2 LYS A 28 -1.472 12.471 -3.778 1.00 42.12 H new ATOM 0 HE3 LYS A 28 0.241 12.591 -4.128 1.00 42.12 H new ATOM 0 HZ1 LYS A 28 -0.907 14.090 -5.527 1.00 55.11 H new ATOM 0 HZ2 LYS A 28 -0.369 12.817 -6.513 1.00 55.11 H new ATOM 0 HZ3 LYS A 28 -2.000 12.899 -6.048 1.00 55.11 H new ATOM 440 N ASP A 29 -2.298 6.357 -7.459 1.00 54.13 N ATOM 441 CA ASP A 29 -1.865 5.006 -7.753 1.00 75.23 C ATOM 442 C ASP A 29 -0.569 4.764 -7.056 1.00 63.41 C ATOM 443 O ASP A 29 0.513 5.071 -7.583 1.00 21.24 O ATOM 444 CB ASP A 29 -1.697 4.728 -9.255 1.00 54.14 C ATOM 445 CG ASP A 29 -2.975 4.793 -10.030 1.00 30.53 C ATOM 446 OD1 ASP A 29 -3.702 3.769 -10.089 1.00 23.21 O ATOM 447 OD2 ASP A 29 -3.264 5.861 -10.622 1.00 32.22 O ATOM 0 H ASP A 29 -2.128 7.032 -8.205 1.00 54.13 H new ATOM 0 HA ASP A 29 -2.644 4.330 -7.401 1.00 75.23 H new ATOM 0 HB2 ASP A 29 -0.994 5.449 -9.672 1.00 54.14 H new ATOM 0 HB3 ASP A 29 -1.255 3.740 -9.384 1.00 54.14 H new ATOM 452 N VAL A 30 -0.661 4.305 -5.864 1.00 53.04 N ATOM 453 CA VAL A 30 0.491 4.033 -5.080 1.00 52.24 C ATOM 454 C VAL A 30 0.725 2.533 -5.015 1.00 44.44 C ATOM 455 O VAL A 30 -0.225 1.749 -4.871 1.00 11.04 O ATOM 456 CB VAL A 30 0.370 4.675 -3.652 1.00 44.14 C ATOM 457 CG1 VAL A 30 -0.856 4.211 -2.912 1.00 21.20 C ATOM 458 CG2 VAL A 30 1.586 4.403 -2.824 1.00 72.10 C ATOM 0 H VAL A 30 -1.546 4.104 -5.397 1.00 53.04 H new ATOM 0 HA VAL A 30 1.360 4.491 -5.553 1.00 52.24 H new ATOM 0 HB VAL A 30 0.280 5.749 -3.814 1.00 44.14 H new ATOM 0 HG11 VAL A 30 -0.890 4.685 -1.931 1.00 21.20 H new ATOM 0 HG12 VAL A 30 -1.747 4.483 -3.478 1.00 21.20 H new ATOM 0 HG13 VAL A 30 -0.820 3.128 -2.790 1.00 21.20 H new ATOM 0 HG21 VAL A 30 1.468 4.862 -1.842 1.00 72.10 H new ATOM 0 HG22 VAL A 30 1.714 3.327 -2.708 1.00 72.10 H new ATOM 0 HG23 VAL A 30 2.463 4.822 -3.317 1.00 72.10 H new ATOM 468 N PHE A 31 1.962 2.125 -5.171 1.00 11.54 N ATOM 469 CA PHE A 31 2.267 0.732 -5.102 1.00 42.00 C ATOM 470 C PHE A 31 2.694 0.372 -3.711 1.00 62.03 C ATOM 471 O PHE A 31 3.385 1.125 -3.056 1.00 53.22 O ATOM 472 CB PHE A 31 3.297 0.271 -6.174 1.00 44.54 C ATOM 473 CG PHE A 31 4.663 0.915 -6.139 1.00 1.23 C ATOM 474 CD1 PHE A 31 5.684 0.373 -5.369 1.00 23.14 C ATOM 475 CD2 PHE A 31 4.931 2.039 -6.897 1.00 21.43 C ATOM 476 CE1 PHE A 31 6.941 0.945 -5.356 1.00 5.44 C ATOM 477 CE2 PHE A 31 6.185 2.619 -6.885 1.00 43.12 C ATOM 478 CZ PHE A 31 7.191 2.070 -6.114 1.00 23.22 C ATOM 0 H PHE A 31 2.760 2.737 -5.344 1.00 11.54 H new ATOM 0 HA PHE A 31 1.355 0.185 -5.340 1.00 42.00 H new ATOM 0 HB2 PHE A 31 3.429 -0.806 -6.075 1.00 44.54 H new ATOM 0 HB3 PHE A 31 2.864 0.450 -7.158 1.00 44.54 H new ATOM 0 HD1 PHE A 31 5.493 -0.507 -4.773 1.00 23.14 H new ATOM 0 HD2 PHE A 31 4.150 2.470 -7.507 1.00 21.43 H new ATOM 0 HE1 PHE A 31 7.726 0.513 -4.754 1.00 5.44 H new ATOM 0 HE2 PHE A 31 6.378 3.501 -7.478 1.00 43.12 H new ATOM 0 HZ PHE A 31 8.172 2.521 -6.105 1.00 23.22 H new ATOM 488 N VAL A 32 2.264 -0.739 -3.249 1.00 25.13 N ATOM 489 CA VAL A 32 2.610 -1.163 -1.931 1.00 71.20 C ATOM 490 C VAL A 32 3.840 -2.052 -1.985 1.00 41.24 C ATOM 491 O VAL A 32 3.867 -3.047 -2.696 1.00 71.12 O ATOM 492 CB VAL A 32 1.414 -1.851 -1.204 1.00 15.41 C ATOM 493 CG1 VAL A 32 0.880 -3.049 -1.976 1.00 31.41 C ATOM 494 CG2 VAL A 32 1.784 -2.246 0.215 1.00 64.42 C ATOM 0 H VAL A 32 1.665 -1.384 -3.763 1.00 25.13 H new ATOM 0 HA VAL A 32 2.851 -0.282 -1.336 1.00 71.20 H new ATOM 0 HB VAL A 32 0.612 -1.114 -1.157 1.00 15.41 H new ATOM 0 HG11 VAL A 32 0.049 -3.493 -1.429 1.00 31.41 H new ATOM 0 HG12 VAL A 32 0.536 -2.725 -2.958 1.00 31.41 H new ATOM 0 HG13 VAL A 32 1.672 -3.788 -2.095 1.00 31.41 H new ATOM 0 HG21 VAL A 32 0.929 -2.723 0.695 1.00 64.42 H new ATOM 0 HG22 VAL A 32 2.622 -2.942 0.192 1.00 64.42 H new ATOM 0 HG23 VAL A 32 2.066 -1.357 0.778 1.00 64.42 H new ATOM 504 N HIS A 33 4.865 -1.663 -1.272 1.00 32.35 N ATOM 505 CA HIS A 33 6.095 -2.406 -1.264 1.00 64.50 C ATOM 506 C HIS A 33 6.143 -3.305 -0.036 1.00 44.12 C ATOM 507 O HIS A 33 5.792 -2.883 1.062 1.00 23.51 O ATOM 508 CB HIS A 33 7.296 -1.456 -1.316 1.00 0.43 C ATOM 509 CG HIS A 33 8.579 -2.186 -1.414 1.00 51.41 C ATOM 510 ND1 HIS A 33 9.543 -2.375 -0.515 1.00 11.41 N flip ATOM 511 CD2 HIS A 33 8.936 -2.911 -2.509 1.00 71.12 C flip ATOM 512 CE1 HIS A 33 10.456 -3.208 -1.068 1.00 1.34 C flip ATOM 513 NE2 HIS A 33 10.059 -3.521 -2.270 1.00 43.23 N flip ATOM 0 H HIS A 33 4.870 -0.829 -0.685 1.00 32.35 H new ATOM 0 HA HIS A 33 6.142 -3.038 -2.151 1.00 64.50 H new ATOM 0 HB2 HIS A 33 7.193 -0.789 -2.172 1.00 0.43 H new ATOM 0 HB3 HIS A 33 7.302 -0.831 -0.423 1.00 0.43 H new ATOM 0 HD2 HIS A 33 8.375 -2.970 -3.430 1.00 71.12 H new ATOM 0 HE1 HIS A 33 11.362 -3.555 -0.593 1.00 1.34 H new ATOM 0 HE2 HIS A 33 10.548 -4.141 -2.915 1.00 43.23 H new ATOM 522 N LYS A 34 6.615 -4.518 -0.232 1.00 34.02 N ATOM 523 CA LYS A 34 6.618 -5.564 0.788 1.00 53.34 C ATOM 524 C LYS A 34 7.348 -5.211 2.090 1.00 23.15 C ATOM 525 O LYS A 34 6.994 -5.727 3.150 1.00 35.55 O ATOM 526 CB LYS A 34 7.079 -6.894 0.205 1.00 41.34 C ATOM 527 CG LYS A 34 7.279 -7.974 1.228 1.00 12.33 C ATOM 528 CD LYS A 34 7.465 -9.295 0.592 1.00 1.22 C ATOM 529 CE LYS A 34 7.878 -10.344 1.605 1.00 32.02 C ATOM 530 NZ LYS A 34 6.949 -10.407 2.751 1.00 53.52 N ATOM 0 H LYS A 34 7.017 -4.818 -1.120 1.00 34.02 H new ATOM 0 HA LYS A 34 5.578 -5.662 1.099 1.00 53.34 H new ATOM 0 HB2 LYS A 34 6.345 -7.232 -0.526 1.00 41.34 H new ATOM 0 HB3 LYS A 34 8.015 -6.739 -0.332 1.00 41.34 H new ATOM 0 HG2 LYS A 34 8.149 -7.739 1.842 1.00 12.33 H new ATOM 0 HG3 LYS A 34 6.418 -8.008 1.895 1.00 12.33 H new ATOM 0 HD2 LYS A 34 6.538 -9.601 0.107 1.00 1.22 H new ATOM 0 HD3 LYS A 34 8.223 -9.222 -0.188 1.00 1.22 H new ATOM 0 HE2 LYS A 34 7.920 -11.319 1.120 1.00 32.02 H new ATOM 0 HE3 LYS A 34 8.883 -10.123 1.965 1.00 32.02 H new ATOM 0 HZ1 LYS A 34 7.053 -11.323 3.232 1.00 53.52 H new ATOM 0 HZ2 LYS A 34 7.167 -9.639 3.417 1.00 53.52 H new ATOM 0 HZ3 LYS A 34 5.971 -10.304 2.412 1.00 53.52 H new ATOM 544 N SER A 35 8.342 -4.339 2.028 1.00 72.11 N ATOM 545 CA SER A 35 9.021 -3.889 3.252 1.00 42.52 C ATOM 546 C SER A 35 8.012 -3.326 4.277 1.00 63.10 C ATOM 547 O SER A 35 8.254 -3.371 5.472 1.00 2.04 O ATOM 548 CB SER A 35 10.086 -2.852 2.926 1.00 33.25 C ATOM 549 OG SER A 35 11.006 -3.363 1.969 1.00 45.14 O ATOM 0 H SER A 35 8.698 -3.930 1.164 1.00 72.11 H new ATOM 0 HA SER A 35 9.507 -4.755 3.701 1.00 42.52 H new ATOM 0 HB2 SER A 35 9.615 -1.948 2.539 1.00 33.25 H new ATOM 0 HB3 SER A 35 10.617 -2.570 3.835 1.00 33.25 H new ATOM 0 HG SER A 35 11.683 -2.683 1.770 1.00 45.14 H new ATOM 555 N ALA A 36 6.869 -2.833 3.792 1.00 73.55 N ATOM 556 CA ALA A 36 5.826 -2.337 4.662 1.00 3.11 C ATOM 557 C ALA A 36 5.104 -3.484 5.335 1.00 21.30 C ATOM 558 O ALA A 36 4.749 -3.396 6.513 1.00 42.25 O ATOM 559 CB ALA A 36 4.857 -1.511 3.897 1.00 10.41 C ATOM 0 H ALA A 36 6.652 -2.771 2.797 1.00 73.55 H new ATOM 0 HA ALA A 36 6.291 -1.716 5.428 1.00 3.11 H new ATOM 0 HB1 ALA A 36 4.080 -1.147 4.569 1.00 10.41 H new ATOM 0 HB2 ALA A 36 5.376 -0.664 3.449 1.00 10.41 H new ATOM 0 HB3 ALA A 36 4.404 -2.116 3.112 1.00 10.41 H new ATOM 565 N VAL A 37 4.884 -4.573 4.578 1.00 73.24 N ATOM 566 CA VAL A 37 4.291 -5.775 5.142 1.00 50.51 C ATOM 567 C VAL A 37 5.171 -6.261 6.226 1.00 45.23 C ATOM 568 O VAL A 37 4.732 -6.420 7.315 1.00 33.22 O ATOM 569 CB VAL A 37 4.073 -6.943 4.109 1.00 35.32 C ATOM 570 CG1 VAL A 37 3.576 -8.211 4.845 1.00 55.35 C ATOM 571 CG2 VAL A 37 3.038 -6.519 3.076 1.00 30.30 C ATOM 0 H VAL A 37 5.109 -4.636 3.585 1.00 73.24 H new ATOM 0 HA VAL A 37 3.300 -5.495 5.498 1.00 50.51 H new ATOM 0 HB VAL A 37 5.018 -7.164 3.613 1.00 35.32 H new ATOM 0 HG11 VAL A 37 3.427 -9.015 4.124 1.00 55.35 H new ATOM 0 HG12 VAL A 37 4.317 -8.518 5.583 1.00 55.35 H new ATOM 0 HG13 VAL A 37 2.633 -7.994 5.347 1.00 55.35 H new ATOM 0 HG21 VAL A 37 2.886 -7.327 2.360 1.00 30.30 H new ATOM 0 HG22 VAL A 37 2.096 -6.295 3.576 1.00 30.30 H new ATOM 0 HG23 VAL A 37 3.390 -5.631 2.551 1.00 30.30 H new ATOM 581 N ASP A 38 6.431 -6.429 5.917 1.00 12.45 N ATOM 582 CA ASP A 38 7.412 -6.941 6.866 1.00 2.53 C ATOM 583 C ASP A 38 7.679 -6.001 8.015 1.00 42.25 C ATOM 584 O ASP A 38 8.135 -6.435 9.058 1.00 23.12 O ATOM 585 CB ASP A 38 8.710 -7.341 6.187 1.00 44.03 C ATOM 586 CG ASP A 38 8.557 -8.560 5.323 1.00 23.04 C ATOM 587 OD1 ASP A 38 8.741 -9.686 5.832 1.00 62.23 O ATOM 588 OD2 ASP A 38 8.252 -8.423 4.135 1.00 62.20 O ATOM 0 H ASP A 38 6.817 -6.216 4.997 1.00 12.45 H new ATOM 0 HA ASP A 38 6.960 -7.837 7.290 1.00 2.53 H new ATOM 0 HB2 ASP A 38 9.068 -6.511 5.578 1.00 44.03 H new ATOM 0 HB3 ASP A 38 9.469 -7.531 6.946 1.00 44.03 H new ATOM 593 N ALA A 39 7.397 -4.707 7.828 1.00 42.21 N ATOM 594 CA ALA A 39 7.601 -3.728 8.898 1.00 40.53 C ATOM 595 C ALA A 39 6.721 -4.044 10.102 1.00 25.12 C ATOM 596 O ALA A 39 7.088 -3.770 11.245 1.00 72.55 O ATOM 597 CB ALA A 39 7.326 -2.318 8.401 1.00 70.34 C ATOM 0 H ALA A 39 7.032 -4.318 6.958 1.00 42.21 H new ATOM 0 HA ALA A 39 8.644 -3.788 9.209 1.00 40.53 H new ATOM 0 HB1 ALA A 39 7.484 -1.609 9.213 1.00 70.34 H new ATOM 0 HB2 ALA A 39 8.002 -2.084 7.578 1.00 70.34 H new ATOM 0 HB3 ALA A 39 6.295 -2.249 8.055 1.00 70.34 H new ATOM 603 N ALA A 40 5.568 -4.628 9.833 1.00 12.14 N ATOM 604 CA ALA A 40 4.625 -4.994 10.881 1.00 5.30 C ATOM 605 C ALA A 40 4.316 -6.487 10.822 1.00 2.01 C ATOM 606 O ALA A 40 3.669 -7.045 11.709 1.00 13.12 O ATOM 607 CB ALA A 40 3.339 -4.201 10.693 1.00 50.33 C ATOM 0 H ALA A 40 5.257 -4.862 8.890 1.00 12.14 H new ATOM 0 HA ALA A 40 5.065 -4.767 11.852 1.00 5.30 H new ATOM 0 HB1 ALA A 40 2.628 -4.470 11.474 1.00 50.33 H new ATOM 0 HB2 ALA A 40 3.557 -3.135 10.752 1.00 50.33 H new ATOM 0 HB3 ALA A 40 2.910 -4.430 9.718 1.00 50.33 H new ATOM 613 N GLY A 41 4.809 -7.119 9.784 1.00 62.50 N ATOM 614 CA GLY A 41 4.482 -8.489 9.465 1.00 54.11 C ATOM 615 C GLY A 41 3.002 -8.633 9.296 1.00 20.31 C ATOM 616 O GLY A 41 2.358 -9.430 9.991 1.00 22.50 O ATOM 0 H GLY A 41 5.459 -6.689 9.126 1.00 62.50 H new ATOM 0 HA2 GLY A 41 4.992 -8.790 8.550 1.00 54.11 H new ATOM 0 HA3 GLY A 41 4.832 -9.150 10.258 1.00 54.11 H new ATOM 620 N LEU A 42 2.462 -7.839 8.386 1.00 40.20 N ATOM 621 CA LEU A 42 1.052 -7.796 8.112 1.00 33.12 C ATOM 622 C LEU A 42 0.661 -9.170 7.566 1.00 14.12 C ATOM 623 O LEU A 42 1.329 -9.698 6.673 1.00 52.13 O ATOM 624 CB LEU A 42 0.805 -6.676 7.076 1.00 32.24 C ATOM 625 CG LEU A 42 -0.613 -6.091 6.947 1.00 31.42 C ATOM 626 CD1 LEU A 42 -1.644 -7.120 6.542 1.00 74.34 C ATOM 627 CD2 LEU A 42 -1.020 -5.376 8.224 1.00 13.03 C ATOM 0 H LEU A 42 3.009 -7.198 7.811 1.00 40.20 H new ATOM 0 HA LEU A 42 0.454 -7.581 8.997 1.00 33.12 H new ATOM 0 HB2 LEU A 42 1.482 -5.854 7.309 1.00 32.24 H new ATOM 0 HB3 LEU A 42 1.095 -7.060 6.098 1.00 32.24 H new ATOM 0 HG LEU A 42 -0.578 -5.363 6.137 1.00 31.42 H new ATOM 0 HD11 LEU A 42 -2.622 -6.645 6.468 1.00 74.34 H new ATOM 0 HD12 LEU A 42 -1.373 -7.545 5.576 1.00 74.34 H new ATOM 0 HD13 LEU A 42 -1.681 -7.912 7.290 1.00 74.34 H new ATOM 0 HD21 LEU A 42 -2.025 -4.971 8.110 1.00 13.03 H new ATOM 0 HD22 LEU A 42 -1.005 -6.080 9.056 1.00 13.03 H new ATOM 0 HD23 LEU A 42 -0.322 -4.563 8.424 1.00 13.03 H new ATOM 639 N HIS A 43 -0.388 -9.745 8.124 1.00 32.13 N ATOM 640 CA HIS A 43 -0.787 -11.113 7.815 1.00 60.22 C ATOM 641 C HIS A 43 -0.970 -11.380 6.310 1.00 0.43 C ATOM 642 O HIS A 43 -0.335 -12.277 5.763 1.00 51.40 O ATOM 643 CB HIS A 43 -2.049 -11.508 8.590 1.00 74.24 C ATOM 644 CG HIS A 43 -2.433 -12.947 8.407 1.00 62.34 C ATOM 645 ND1 HIS A 43 -3.501 -13.354 7.649 1.00 50.21 N ATOM 646 CD2 HIS A 43 -1.870 -14.074 8.891 1.00 64.31 C ATOM 647 CE1 HIS A 43 -3.579 -14.662 7.672 1.00 10.13 C ATOM 648 NE2 HIS A 43 -2.602 -15.123 8.417 1.00 61.04 N ATOM 0 H HIS A 43 -0.990 -9.281 8.804 1.00 32.13 H new ATOM 0 HA HIS A 43 0.043 -11.742 8.138 1.00 60.22 H new ATOM 0 HB2 HIS A 43 -1.891 -11.314 9.651 1.00 74.24 H new ATOM 0 HB3 HIS A 43 -2.877 -10.875 8.270 1.00 74.24 H new ATOM 0 HD2 HIS A 43 -1.003 -14.134 9.533 1.00 64.31 H new ATOM 0 HE1 HIS A 43 -4.322 -15.259 7.164 1.00 10.13 H new ATOM 0 HE2 HIS A 43 -2.419 -16.108 8.611 1.00 61.04 H new ATOM 657 N SER A 44 -1.819 -10.614 5.660 1.00 54.35 N ATOM 658 CA SER A 44 -2.133 -10.830 4.254 1.00 41.15 C ATOM 659 C SER A 44 -2.809 -9.602 3.669 1.00 2.02 C ATOM 660 O SER A 44 -3.478 -8.848 4.399 1.00 0.33 O ATOM 661 CB SER A 44 -3.093 -12.038 4.080 1.00 13.23 C ATOM 662 OG SER A 44 -2.543 -13.254 4.586 1.00 62.22 O ATOM 0 H SER A 44 -2.311 -9.827 6.083 1.00 54.35 H new ATOM 0 HA SER A 44 -1.195 -11.028 3.736 1.00 41.15 H new ATOM 0 HB2 SER A 44 -4.032 -11.828 4.592 1.00 13.23 H new ATOM 0 HB3 SER A 44 -3.327 -12.162 3.023 1.00 13.23 H new ATOM 0 HG SER A 44 -1.581 -13.140 4.736 1.00 62.22 H new ATOM 668 N LEU A 45 -2.630 -9.398 2.382 1.00 34.33 N ATOM 669 CA LEU A 45 -3.296 -8.332 1.669 1.00 4.25 C ATOM 670 C LEU A 45 -4.064 -8.939 0.526 1.00 35.50 C ATOM 671 O LEU A 45 -3.591 -9.882 -0.125 1.00 31.13 O ATOM 672 CB LEU A 45 -2.312 -7.309 1.103 1.00 74.55 C ATOM 673 CG LEU A 45 -1.381 -6.605 2.096 1.00 55.30 C ATOM 674 CD1 LEU A 45 -0.427 -5.687 1.357 1.00 44.43 C ATOM 675 CD2 LEU A 45 -2.185 -5.807 3.104 1.00 53.12 C ATOM 0 H LEU A 45 -2.017 -9.969 1.800 1.00 34.33 H new ATOM 0 HA LEU A 45 -3.950 -7.813 2.370 1.00 4.25 H new ATOM 0 HB2 LEU A 45 -1.694 -7.811 0.359 1.00 74.55 H new ATOM 0 HB3 LEU A 45 -2.885 -6.545 0.578 1.00 74.55 H new ATOM 0 HG LEU A 45 -0.807 -7.364 2.627 1.00 55.30 H new ATOM 0 HD11 LEU A 45 0.230 -5.192 2.073 1.00 44.43 H new ATOM 0 HD12 LEU A 45 0.172 -6.271 0.658 1.00 44.43 H new ATOM 0 HD13 LEU A 45 -0.996 -4.937 0.808 1.00 44.43 H new ATOM 0 HD21 LEU A 45 -1.508 -5.314 3.801 1.00 53.12 H new ATOM 0 HD22 LEU A 45 -2.779 -5.056 2.583 1.00 53.12 H new ATOM 0 HD23 LEU A 45 -2.847 -6.476 3.653 1.00 53.12 H new ATOM 687 N GLU A 46 -5.216 -8.418 0.279 1.00 51.13 N ATOM 688 CA GLU A 46 -6.068 -8.901 -0.770 1.00 61.11 C ATOM 689 C GLU A 46 -6.947 -7.794 -1.276 1.00 74.12 C ATOM 690 O GLU A 46 -7.226 -6.830 -0.545 1.00 71.53 O ATOM 691 CB GLU A 46 -6.915 -10.098 -0.301 1.00 13.42 C ATOM 692 CG GLU A 46 -7.745 -9.841 0.943 1.00 61.24 C ATOM 693 CD GLU A 46 -8.613 -11.015 1.305 1.00 20.43 C ATOM 694 OE1 GLU A 46 -8.088 -12.022 1.834 1.00 1.32 O ATOM 695 OE2 GLU A 46 -9.827 -10.964 1.040 1.00 61.23 O ATOM 0 H GLU A 46 -5.605 -7.634 0.803 1.00 51.13 H new ATOM 0 HA GLU A 46 -5.435 -9.247 -1.587 1.00 61.11 H new ATOM 0 HB2 GLU A 46 -7.582 -10.393 -1.111 1.00 13.42 H new ATOM 0 HB3 GLU A 46 -6.252 -10.942 -0.111 1.00 13.42 H new ATOM 0 HG2 GLU A 46 -7.083 -9.611 1.778 1.00 61.24 H new ATOM 0 HG3 GLU A 46 -8.372 -8.964 0.783 1.00 61.24 H new ATOM 702 N GLU A 47 -7.355 -7.910 -2.519 1.00 42.24 N ATOM 703 CA GLU A 47 -8.212 -6.987 -3.154 1.00 53.24 C ATOM 704 C GLU A 47 -9.541 -6.970 -2.399 1.00 14.42 C ATOM 705 O GLU A 47 -10.078 -8.023 -2.033 1.00 23.34 O ATOM 706 CB GLU A 47 -8.376 -7.491 -4.571 1.00 0.13 C ATOM 707 CG GLU A 47 -8.989 -6.559 -5.577 1.00 11.24 C ATOM 708 CD GLU A 47 -10.444 -6.224 -5.356 1.00 72.30 C ATOM 709 OE1 GLU A 47 -11.315 -7.049 -5.707 1.00 30.10 O ATOM 710 OE2 GLU A 47 -10.740 -5.125 -4.865 1.00 50.25 O ATOM 0 H GLU A 47 -7.078 -8.685 -3.121 1.00 42.24 H new ATOM 0 HA GLU A 47 -7.826 -5.968 -3.162 1.00 53.24 H new ATOM 0 HB2 GLU A 47 -7.392 -7.782 -4.939 1.00 0.13 H new ATOM 0 HB3 GLU A 47 -8.984 -8.395 -4.537 1.00 0.13 H new ATOM 0 HG2 GLU A 47 -8.418 -5.631 -5.580 1.00 11.24 H new ATOM 0 HG3 GLU A 47 -8.883 -7.002 -6.567 1.00 11.24 H new ATOM 717 N GLY A 48 -10.036 -5.799 -2.152 1.00 32.35 N ATOM 718 CA GLY A 48 -11.265 -5.654 -1.419 1.00 72.21 C ATOM 719 C GLY A 48 -11.026 -5.190 -0.004 1.00 73.21 C ATOM 720 O GLY A 48 -11.956 -4.779 0.682 1.00 70.15 O ATOM 0 H GLY A 48 -9.609 -4.921 -2.447 1.00 32.35 H new ATOM 0 HA2 GLY A 48 -11.911 -4.940 -1.931 1.00 72.21 H new ATOM 0 HA3 GLY A 48 -11.793 -6.607 -1.404 1.00 72.21 H new ATOM 724 N GLN A 49 -9.795 -5.271 0.445 1.00 15.41 N ATOM 725 CA GLN A 49 -9.435 -4.792 1.763 1.00 11.43 C ATOM 726 C GLN A 49 -9.133 -3.328 1.726 1.00 52.24 C ATOM 727 O GLN A 49 -8.430 -2.859 0.836 1.00 14.42 O ATOM 728 CB GLN A 49 -8.210 -5.539 2.286 1.00 1.53 C ATOM 729 CG GLN A 49 -8.472 -6.943 2.789 1.00 62.14 C ATOM 730 CD GLN A 49 -8.968 -7.020 4.240 1.00 3.22 C ATOM 731 OE1 GLN A 49 -9.666 -6.021 4.714 1.00 24.21 O flip ATOM 732 NE2 GLN A 49 -8.702 -7.996 4.934 1.00 31.22 N flip ATOM 0 H GLN A 49 -9.020 -5.667 -0.086 1.00 15.41 H new ATOM 0 HA GLN A 49 -10.281 -4.970 2.427 1.00 11.43 H new ATOM 0 HB2 GLN A 49 -7.468 -5.589 1.489 1.00 1.53 H new ATOM 0 HB3 GLN A 49 -7.769 -4.957 3.096 1.00 1.53 H new ATOM 0 HG2 GLN A 49 -9.210 -7.415 2.141 1.00 62.14 H new ATOM 0 HG3 GLN A 49 -7.554 -7.523 2.702 1.00 62.14 H new ATOM 0 HE21 GLN A 49 -8.156 -8.765 4.545 1.00 31.22 H new ATOM 0 HE22 GLN A 49 -9.027 -8.039 5.900 1.00 31.22 H new ATOM 741 N ASP A 50 -9.666 -2.614 2.662 1.00 73.31 N ATOM 742 CA ASP A 50 -9.334 -1.226 2.804 1.00 63.10 C ATOM 743 C ASP A 50 -8.158 -1.150 3.713 1.00 60.30 C ATOM 744 O ASP A 50 -8.097 -1.864 4.724 1.00 60.45 O ATOM 745 CB ASP A 50 -10.494 -0.387 3.349 1.00 51.44 C ATOM 746 CG ASP A 50 -11.666 -0.271 2.408 1.00 44.14 C ATOM 747 OD1 ASP A 50 -11.684 0.651 1.579 1.00 44.22 O ATOM 748 OD2 ASP A 50 -12.609 -1.089 2.508 1.00 73.30 O ATOM 0 H ASP A 50 -10.337 -2.966 3.345 1.00 73.31 H new ATOM 0 HA ASP A 50 -9.109 -0.809 1.823 1.00 63.10 H new ATOM 0 HB2 ASP A 50 -10.837 -0.826 4.286 1.00 51.44 H new ATOM 0 HB3 ASP A 50 -10.127 0.613 3.580 1.00 51.44 H new ATOM 753 N VAL A 51 -7.224 -0.346 3.382 1.00 55.13 N ATOM 754 CA VAL A 51 -6.024 -0.293 4.118 1.00 71.22 C ATOM 755 C VAL A 51 -5.592 1.144 4.372 1.00 23.14 C ATOM 756 O VAL A 51 -5.922 2.065 3.624 1.00 32.14 O ATOM 757 CB VAL A 51 -4.908 -1.127 3.409 1.00 53.02 C ATOM 758 CG1 VAL A 51 -4.560 -0.573 2.032 1.00 20.42 C ATOM 759 CG2 VAL A 51 -3.679 -1.281 4.282 1.00 33.24 C ATOM 0 H VAL A 51 -7.270 0.296 2.591 1.00 55.13 H new ATOM 0 HA VAL A 51 -6.200 -0.743 5.095 1.00 71.22 H new ATOM 0 HB VAL A 51 -5.316 -2.125 3.250 1.00 53.02 H new ATOM 0 HG11 VAL A 51 -3.780 -1.186 1.580 1.00 20.42 H new ATOM 0 HG12 VAL A 51 -5.447 -0.589 1.399 1.00 20.42 H new ATOM 0 HG13 VAL A 51 -4.203 0.452 2.132 1.00 20.42 H new ATOM 0 HG21 VAL A 51 -2.928 -1.867 3.752 1.00 33.24 H new ATOM 0 HG22 VAL A 51 -3.273 -0.297 4.516 1.00 33.24 H new ATOM 0 HG23 VAL A 51 -3.951 -1.791 5.206 1.00 33.24 H new ATOM 769 N ILE A 52 -4.903 1.307 5.439 1.00 30.11 N ATOM 770 CA ILE A 52 -4.391 2.559 5.878 1.00 41.00 C ATOM 771 C ILE A 52 -2.883 2.478 5.777 1.00 65.43 C ATOM 772 O ILE A 52 -2.291 1.470 6.184 1.00 3.40 O ATOM 773 CB ILE A 52 -4.796 2.793 7.351 1.00 53.13 C ATOM 774 CG1 ILE A 52 -6.324 2.679 7.492 1.00 71.51 C ATOM 775 CG2 ILE A 52 -4.311 4.160 7.827 1.00 22.15 C ATOM 776 CD1 ILE A 52 -6.821 2.675 8.916 1.00 31.13 C ATOM 0 H ILE A 52 -4.667 0.536 6.064 1.00 30.11 H new ATOM 0 HA ILE A 52 -4.782 3.377 5.274 1.00 41.00 H new ATOM 0 HB ILE A 52 -4.327 2.032 7.975 1.00 53.13 H new ATOM 0 HG12 ILE A 52 -6.788 3.510 6.961 1.00 71.51 H new ATOM 0 HG13 ILE A 52 -6.654 1.763 7.002 1.00 71.51 H new ATOM 0 HG21 ILE A 52 -4.605 4.309 8.866 1.00 22.15 H new ATOM 0 HG22 ILE A 52 -3.225 4.209 7.746 1.00 22.15 H new ATOM 0 HG23 ILE A 52 -4.757 4.940 7.209 1.00 22.15 H new ATOM 0 HD11 ILE A 52 -7.908 2.592 8.922 1.00 31.13 H new ATOM 0 HD12 ILE A 52 -6.389 1.828 9.450 1.00 31.13 H new ATOM 0 HD13 ILE A 52 -6.526 3.602 9.407 1.00 31.13 H new ATOM 788 N PHE A 53 -2.269 3.485 5.219 1.00 41.35 N ATOM 789 CA PHE A 53 -0.835 3.487 5.046 1.00 33.13 C ATOM 790 C PHE A 53 -0.306 4.889 5.104 1.00 52.32 C ATOM 791 O PHE A 53 -1.070 5.830 5.243 1.00 52.55 O ATOM 792 CB PHE A 53 -0.463 2.854 3.691 1.00 71.54 C ATOM 793 CG PHE A 53 -1.109 3.504 2.496 1.00 62.42 C ATOM 794 CD1 PHE A 53 -2.370 3.116 2.083 1.00 52.11 C ATOM 795 CD2 PHE A 53 -0.450 4.488 1.781 1.00 71.23 C ATOM 796 CE1 PHE A 53 -2.957 3.695 0.989 1.00 54.43 C ATOM 797 CE2 PHE A 53 -1.031 5.064 0.683 1.00 43.33 C ATOM 798 CZ PHE A 53 -2.286 4.667 0.286 1.00 41.45 C ATOM 0 H PHE A 53 -2.739 4.321 4.873 1.00 41.35 H new ATOM 0 HA PHE A 53 -0.390 2.903 5.851 1.00 33.13 H new ATOM 0 HB2 PHE A 53 0.619 2.897 3.570 1.00 71.54 H new ATOM 0 HB3 PHE A 53 -0.741 1.800 3.709 1.00 71.54 H new ATOM 0 HD1 PHE A 53 -2.898 2.348 2.629 1.00 52.11 H new ATOM 0 HD2 PHE A 53 0.534 4.806 2.092 1.00 71.23 H new ATOM 0 HE1 PHE A 53 -3.945 3.388 0.679 1.00 54.43 H new ATOM 0 HE2 PHE A 53 -0.505 5.828 0.130 1.00 43.33 H new ATOM 0 HZ PHE A 53 -2.746 5.120 -0.580 1.00 41.45 H new ATOM 808 N ASP A 54 0.983 5.026 5.012 1.00 64.05 N ATOM 809 CA ASP A 54 1.605 6.308 4.912 1.00 32.03 C ATOM 810 C ASP A 54 2.250 6.357 3.573 1.00 42.44 C ATOM 811 O ASP A 54 2.561 5.300 2.991 1.00 21.43 O ATOM 812 CB ASP A 54 2.671 6.557 5.993 1.00 31.13 C ATOM 813 CG ASP A 54 2.161 6.480 7.410 1.00 40.52 C ATOM 814 OD1 ASP A 54 1.010 6.887 7.682 1.00 64.41 O ATOM 815 OD2 ASP A 54 2.897 5.990 8.281 1.00 71.01 O ATOM 0 H ASP A 54 1.636 4.243 5.004 1.00 64.05 H new ATOM 0 HA ASP A 54 0.847 7.079 5.052 1.00 32.03 H new ATOM 0 HB2 ASP A 54 3.472 5.828 5.869 1.00 31.13 H new ATOM 0 HB3 ASP A 54 3.109 7.542 5.832 1.00 31.13 H new ATOM 820 N LEU A 55 2.445 7.519 3.063 1.00 32.44 N ATOM 821 CA LEU A 55 3.030 7.663 1.772 1.00 44.32 C ATOM 822 C LEU A 55 3.978 8.822 1.724 1.00 42.00 C ATOM 823 O LEU A 55 3.724 9.889 2.278 1.00 31.22 O ATOM 824 CB LEU A 55 1.937 7.790 0.699 1.00 70.25 C ATOM 825 CG LEU A 55 2.367 8.074 -0.750 1.00 73.31 C ATOM 826 CD1 LEU A 55 3.352 7.037 -1.236 1.00 31.31 C ATOM 827 CD2 LEU A 55 1.141 8.099 -1.660 1.00 3.00 C ATOM 0 H LEU A 55 2.206 8.397 3.524 1.00 32.44 H new ATOM 0 HA LEU A 55 3.611 6.765 1.563 1.00 44.32 H new ATOM 0 HB2 LEU A 55 1.361 6.864 0.700 1.00 70.25 H new ATOM 0 HB3 LEU A 55 1.260 8.587 1.007 1.00 70.25 H new ATOM 0 HG LEU A 55 2.857 9.047 -0.778 1.00 73.31 H new ATOM 0 HD11 LEU A 55 3.640 7.262 -2.263 1.00 31.31 H new ATOM 0 HD12 LEU A 55 4.237 7.050 -0.600 1.00 31.31 H new ATOM 0 HD13 LEU A 55 2.891 6.050 -1.196 1.00 31.31 H new ATOM 0 HD21 LEU A 55 1.453 8.301 -2.685 1.00 3.00 H new ATOM 0 HD22 LEU A 55 0.637 7.134 -1.617 1.00 3.00 H new ATOM 0 HD23 LEU A 55 0.457 8.881 -1.328 1.00 3.00 H new ATOM 839 N GLU A 56 5.071 8.584 1.107 1.00 13.13 N ATOM 840 CA GLU A 56 6.050 9.561 0.846 1.00 20.03 C ATOM 841 C GLU A 56 6.704 9.146 -0.441 1.00 71.14 C ATOM 842 O GLU A 56 6.833 7.942 -0.714 1.00 3.24 O ATOM 843 CB GLU A 56 7.037 9.688 2.006 1.00 43.22 C ATOM 844 CG GLU A 56 8.037 10.816 1.845 1.00 42.04 C ATOM 845 CD GLU A 56 8.847 11.051 3.087 1.00 72.53 C ATOM 846 OE1 GLU A 56 9.875 10.357 3.288 1.00 60.43 O ATOM 847 OE2 GLU A 56 8.464 11.933 3.889 1.00 41.20 O ATOM 0 H GLU A 56 5.317 7.659 0.754 1.00 13.13 H new ATOM 0 HA GLU A 56 5.617 10.557 0.748 1.00 20.03 H new ATOM 0 HB2 GLU A 56 6.479 9.841 2.930 1.00 43.22 H new ATOM 0 HB3 GLU A 56 7.579 8.748 2.113 1.00 43.22 H new ATOM 0 HG2 GLU A 56 8.707 10.587 1.017 1.00 42.04 H new ATOM 0 HG3 GLU A 56 7.507 11.732 1.583 1.00 42.04 H new ATOM 854 N GLU A 57 7.085 10.090 -1.231 1.00 62.45 N ATOM 855 CA GLU A 57 7.534 9.799 -2.554 1.00 35.40 C ATOM 856 C GLU A 57 9.002 9.432 -2.632 1.00 74.31 C ATOM 857 O GLU A 57 9.880 10.152 -2.149 1.00 2.43 O ATOM 858 CB GLU A 57 7.165 10.930 -3.481 1.00 73.22 C ATOM 859 CG GLU A 57 5.658 11.118 -3.575 1.00 31.52 C ATOM 860 CD GLU A 57 5.258 12.283 -4.419 1.00 25.42 C ATOM 861 OE1 GLU A 57 5.324 12.176 -5.652 1.00 13.43 O ATOM 862 OE2 GLU A 57 4.848 13.321 -3.863 1.00 74.42 O ATOM 0 H GLU A 57 7.095 11.079 -0.983 1.00 62.45 H new ATOM 0 HA GLU A 57 7.016 8.899 -2.884 1.00 35.40 H new ATOM 0 HB2 GLU A 57 7.625 11.853 -3.128 1.00 73.22 H new ATOM 0 HB3 GLU A 57 7.569 10.732 -4.474 1.00 73.22 H new ATOM 0 HG2 GLU A 57 5.211 10.212 -3.984 1.00 31.52 H new ATOM 0 HG3 GLU A 57 5.252 11.249 -2.572 1.00 31.52 H new ATOM 869 N LYS A 58 9.244 8.311 -3.266 1.00 12.53 N ATOM 870 CA LYS A 58 10.550 7.751 -3.453 1.00 4.54 C ATOM 871 C LYS A 58 11.207 8.402 -4.660 1.00 52.10 C ATOM 872 O LYS A 58 11.264 7.813 -5.746 1.00 32.25 O ATOM 873 CB LYS A 58 10.432 6.230 -3.654 1.00 62.54 C ATOM 874 CG LYS A 58 11.751 5.503 -3.779 1.00 10.21 C ATOM 875 CD LYS A 58 11.541 4.021 -4.006 1.00 22.20 C ATOM 876 CE LYS A 58 12.862 3.313 -4.194 1.00 51.03 C ATOM 877 NZ LYS A 58 13.719 3.371 -2.988 1.00 64.41 N ATOM 0 H LYS A 58 8.503 7.745 -3.680 1.00 12.53 H new ATOM 0 HA LYS A 58 11.166 7.939 -2.573 1.00 4.54 H new ATOM 0 HB2 LYS A 58 9.879 5.809 -2.815 1.00 62.54 H new ATOM 0 HB3 LYS A 58 9.842 6.041 -4.551 1.00 62.54 H new ATOM 0 HG2 LYS A 58 12.323 5.923 -4.606 1.00 10.21 H new ATOM 0 HG3 LYS A 58 12.340 5.655 -2.875 1.00 10.21 H new ATOM 0 HD2 LYS A 58 11.010 3.590 -3.157 1.00 22.20 H new ATOM 0 HD3 LYS A 58 10.914 3.869 -4.884 1.00 22.20 H new ATOM 0 HE2 LYS A 58 12.677 2.271 -4.453 1.00 51.03 H new ATOM 0 HE3 LYS A 58 13.393 3.761 -5.034 1.00 51.03 H new ATOM 0 HZ1 LYS A 58 14.523 2.721 -3.102 1.00 64.41 H new ATOM 0 HZ2 LYS A 58 14.073 4.340 -2.860 1.00 64.41 H new ATOM 0 HZ3 LYS A 58 13.164 3.093 -2.154 1.00 64.41 H new ATOM 891 N GLN A 59 11.571 9.678 -4.486 1.00 33.23 N ATOM 892 CA GLN A 59 12.280 10.480 -5.492 1.00 32.14 C ATOM 893 C GLN A 59 11.504 10.510 -6.842 1.00 72.35 C ATOM 894 O GLN A 59 12.063 10.763 -7.901 1.00 0.33 O ATOM 895 CB GLN A 59 13.717 9.927 -5.630 1.00 34.05 C ATOM 896 CG GLN A 59 14.657 10.739 -6.502 1.00 33.23 C ATOM 897 CD GLN A 59 16.072 10.232 -6.417 1.00 12.33 C ATOM 898 OE1 GLN A 59 16.492 9.367 -7.181 1.00 43.52 O ATOM 899 NE2 GLN A 59 16.816 10.757 -5.484 1.00 54.54 N ATOM 0 H GLN A 59 11.378 10.192 -3.627 1.00 33.23 H new ATOM 0 HA GLN A 59 12.340 11.520 -5.173 1.00 32.14 H new ATOM 0 HB2 GLN A 59 14.153 9.848 -4.634 1.00 34.05 H new ATOM 0 HB3 GLN A 59 13.660 8.916 -6.034 1.00 34.05 H new ATOM 0 HG2 GLN A 59 14.318 10.700 -7.537 1.00 33.23 H new ATOM 0 HG3 GLN A 59 14.626 11.785 -6.195 1.00 33.23 H new ATOM 0 HE21 GLN A 59 16.432 11.474 -4.868 1.00 54.54 H new ATOM 0 HE22 GLN A 59 17.782 10.451 -5.370 1.00 54.54 H new ATOM 908 N GLY A 60 10.204 10.297 -6.767 1.00 44.42 N ATOM 909 CA GLY A 60 9.384 10.266 -7.949 1.00 21.43 C ATOM 910 C GLY A 60 8.362 9.156 -7.879 1.00 45.11 C ATOM 911 O GLY A 60 7.225 9.306 -8.346 1.00 75.43 O ATOM 0 H GLY A 60 9.698 10.143 -5.895 1.00 44.42 H new ATOM 0 HA2 GLY A 60 8.877 11.223 -8.067 1.00 21.43 H new ATOM 0 HA3 GLY A 60 10.014 10.128 -8.828 1.00 21.43 H new ATOM 915 N LYS A 61 8.756 8.043 -7.280 1.00 53.43 N ATOM 916 CA LYS A 61 7.868 6.896 -7.135 1.00 65.22 C ATOM 917 C LYS A 61 6.998 7.071 -5.906 1.00 5.22 C ATOM 918 O LYS A 61 7.293 7.890 -5.051 1.00 42.33 O ATOM 919 CB LYS A 61 8.638 5.563 -7.012 1.00 73.03 C ATOM 920 CG LYS A 61 9.369 5.108 -8.250 1.00 3.44 C ATOM 921 CD LYS A 61 10.519 6.013 -8.615 1.00 70.11 C ATOM 922 CE LYS A 61 11.097 5.611 -9.931 1.00 13.51 C ATOM 923 NZ LYS A 61 12.277 6.419 -10.290 1.00 34.22 N ATOM 0 H LYS A 61 9.687 7.908 -6.885 1.00 53.43 H new ATOM 0 HA LYS A 61 7.259 6.851 -8.038 1.00 65.22 H new ATOM 0 HB2 LYS A 61 9.360 5.656 -6.201 1.00 73.03 H new ATOM 0 HB3 LYS A 61 7.933 4.784 -6.723 1.00 73.03 H new ATOM 0 HG2 LYS A 61 9.744 4.096 -8.094 1.00 3.44 H new ATOM 0 HG3 LYS A 61 8.669 5.063 -9.084 1.00 3.44 H new ATOM 0 HD2 LYS A 61 10.177 7.047 -8.661 1.00 70.11 H new ATOM 0 HD3 LYS A 61 11.287 5.966 -7.843 1.00 70.11 H new ATOM 0 HE2 LYS A 61 11.376 4.558 -9.897 1.00 13.51 H new ATOM 0 HE3 LYS A 61 10.338 5.715 -10.706 1.00 13.51 H new ATOM 0 HZ1 LYS A 61 12.645 6.105 -11.211 1.00 34.22 H new ATOM 0 HZ2 LYS A 61 12.007 7.422 -10.349 1.00 34.22 H new ATOM 0 HZ3 LYS A 61 13.013 6.301 -9.564 1.00 34.22 H new ATOM 937 N ALA A 62 5.958 6.303 -5.800 1.00 73.22 N ATOM 938 CA ALA A 62 5.072 6.385 -4.662 1.00 13.14 C ATOM 939 C ALA A 62 4.786 4.999 -4.132 1.00 13.12 C ATOM 940 O ALA A 62 4.149 4.192 -4.816 1.00 43.14 O ATOM 941 CB ALA A 62 3.777 7.086 -5.052 1.00 74.32 C ATOM 0 H ALA A 62 5.693 5.602 -6.492 1.00 73.22 H new ATOM 0 HA ALA A 62 5.555 6.967 -3.877 1.00 13.14 H new ATOM 0 HB1 ALA A 62 3.118 7.141 -4.186 1.00 74.32 H new ATOM 0 HB2 ALA A 62 4.000 8.093 -5.403 1.00 74.32 H new ATOM 0 HB3 ALA A 62 3.285 6.525 -5.847 1.00 74.32 H new ATOM 947 N TYR A 63 5.248 4.709 -2.927 1.00 24.41 N ATOM 948 CA TYR A 63 5.013 3.410 -2.347 1.00 40.54 C ATOM 949 C TYR A 63 4.389 3.519 -0.973 1.00 3.32 C ATOM 950 O TYR A 63 4.764 4.369 -0.165 1.00 30.14 O ATOM 951 CB TYR A 63 6.271 2.529 -2.325 1.00 72.33 C ATOM 952 CG TYR A 63 7.402 2.972 -1.417 1.00 64.51 C ATOM 953 CD1 TYR A 63 8.069 4.177 -1.601 1.00 71.05 C ATOM 954 CD2 TYR A 63 7.817 2.152 -0.381 1.00 4.23 C ATOM 955 CE1 TYR A 63 9.110 4.543 -0.770 1.00 61.43 C ATOM 956 CE2 TYR A 63 8.850 2.514 0.447 1.00 44.53 C ATOM 957 CZ TYR A 63 9.491 3.706 0.250 1.00 53.52 C ATOM 958 OH TYR A 63 10.535 4.060 1.077 1.00 60.12 O ATOM 0 H TYR A 63 5.782 5.352 -2.342 1.00 24.41 H new ATOM 0 HA TYR A 63 4.298 2.909 -3.000 1.00 40.54 H new ATOM 0 HB2 TYR A 63 5.975 1.522 -2.032 1.00 72.33 H new ATOM 0 HB3 TYR A 63 6.658 2.464 -3.342 1.00 72.33 H new ATOM 0 HD1 TYR A 63 7.770 4.835 -2.403 1.00 71.05 H new ATOM 0 HD2 TYR A 63 7.317 1.208 -0.221 1.00 4.23 H new ATOM 0 HE1 TYR A 63 9.621 5.482 -0.922 1.00 61.43 H new ATOM 0 HE2 TYR A 63 9.155 1.860 1.251 1.00 44.53 H new ATOM 0 HH TYR A 63 10.675 3.358 1.746 1.00 60.12 H new ATOM 968 N ALA A 64 3.431 2.670 -0.745 1.00 44.23 N ATOM 969 CA ALA A 64 2.676 2.635 0.492 1.00 23.55 C ATOM 970 C ALA A 64 3.447 1.895 1.558 1.00 44.14 C ATOM 971 O ALA A 64 3.976 0.795 1.318 1.00 40.41 O ATOM 972 CB ALA A 64 1.316 1.983 0.253 1.00 24.32 C ATOM 0 H ALA A 64 3.140 1.964 -1.422 1.00 44.23 H new ATOM 0 HA ALA A 64 2.515 3.656 0.839 1.00 23.55 H new ATOM 0 HB1 ALA A 64 0.754 1.960 1.187 1.00 24.32 H new ATOM 0 HB2 ALA A 64 0.762 2.558 -0.489 1.00 24.32 H new ATOM 0 HB3 ALA A 64 1.459 0.965 -0.109 1.00 24.32 H new ATOM 978 N VAL A 65 3.519 2.504 2.719 1.00 52.34 N ATOM 979 CA VAL A 65 4.234 1.962 3.864 1.00 52.42 C ATOM 980 C VAL A 65 3.391 2.101 5.111 1.00 44.51 C ATOM 981 O VAL A 65 2.393 2.791 5.082 1.00 50.51 O ATOM 982 CB VAL A 65 5.612 2.657 4.088 1.00 14.12 C ATOM 983 CG1 VAL A 65 6.553 2.375 2.945 1.00 42.20 C ATOM 984 CG2 VAL A 65 5.449 4.164 4.274 1.00 1.14 C ATOM 0 H VAL A 65 3.077 3.405 2.903 1.00 52.34 H new ATOM 0 HA VAL A 65 4.425 0.910 3.654 1.00 52.42 H new ATOM 0 HB VAL A 65 6.040 2.243 5.001 1.00 14.12 H new ATOM 0 HG11 VAL A 65 7.506 2.872 3.127 1.00 42.20 H new ATOM 0 HG12 VAL A 65 6.714 1.300 2.863 1.00 42.20 H new ATOM 0 HG13 VAL A 65 6.121 2.749 2.017 1.00 42.20 H new ATOM 0 HG21 VAL A 65 6.427 4.620 4.428 1.00 1.14 H new ATOM 0 HG22 VAL A 65 4.985 4.592 3.385 1.00 1.14 H new ATOM 0 HG23 VAL A 65 4.818 4.357 5.142 1.00 1.14 H new ATOM 994 N ASN A 66 3.799 1.436 6.192 1.00 23.11 N ATOM 995 CA ASN A 66 3.095 1.483 7.495 1.00 13.42 C ATOM 996 C ASN A 66 1.641 1.082 7.329 1.00 20.12 C ATOM 997 O ASN A 66 0.718 1.899 7.501 1.00 0.33 O ATOM 998 CB ASN A 66 3.199 2.866 8.151 1.00 24.22 C ATOM 999 CG ASN A 66 2.670 2.894 9.588 1.00 72.00 C ATOM 1000 OD1 ASN A 66 2.686 1.884 10.297 1.00 43.22 O ATOM 1001 ND2 ASN A 66 2.238 4.045 10.028 1.00 3.45 N ATOM 0 H ASN A 66 4.630 0.844 6.199 1.00 23.11 H new ATOM 0 HA ASN A 66 3.585 0.769 8.157 1.00 13.42 H new ATOM 0 HB2 ASN A 66 4.241 3.185 8.148 1.00 24.22 H new ATOM 0 HB3 ASN A 66 2.643 3.588 7.552 1.00 24.22 H new ATOM 0 HD21 ASN A 66 1.899 4.130 10.986 1.00 3.45 H new ATOM 0 HD22 ASN A 66 2.239 4.859 9.413 1.00 3.45 H new ATOM 1008 N LEU A 67 1.443 -0.147 6.928 1.00 62.31 N ATOM 1009 CA LEU A 67 0.125 -0.620 6.625 1.00 34.33 C ATOM 1010 C LEU A 67 -0.631 -1.035 7.852 1.00 60.43 C ATOM 1011 O LEU A 67 -0.067 -1.559 8.813 1.00 43.20 O ATOM 1012 CB LEU A 67 0.144 -1.793 5.663 1.00 30.04 C ATOM 1013 CG LEU A 67 0.819 -1.598 4.317 1.00 74.41 C ATOM 1014 CD1 LEU A 67 0.536 -2.772 3.469 1.00 33.33 C ATOM 1015 CD2 LEU A 67 0.346 -0.349 3.635 1.00 24.42 C ATOM 0 H LEU A 67 2.183 -0.838 6.805 1.00 62.31 H new ATOM 0 HA LEU A 67 -0.379 0.227 6.160 1.00 34.33 H new ATOM 0 HB2 LEU A 67 0.633 -2.628 6.164 1.00 30.04 H new ATOM 0 HB3 LEU A 67 -0.888 -2.091 5.479 1.00 30.04 H new ATOM 0 HG LEU A 67 1.892 -1.495 4.478 1.00 74.41 H new ATOM 0 HD11 LEU A 67 1.016 -2.644 2.499 1.00 33.33 H new ATOM 0 HD12 LEU A 67 0.924 -3.670 3.950 1.00 33.33 H new ATOM 0 HD13 LEU A 67 -0.541 -2.870 3.331 1.00 33.33 H new ATOM 0 HD21 LEU A 67 0.852 -0.245 2.675 1.00 24.42 H new ATOM 0 HD22 LEU A 67 -0.730 -0.408 3.473 1.00 24.42 H new ATOM 0 HD23 LEU A 67 0.572 0.515 4.260 1.00 24.42 H new ATOM 1027 N ARG A 68 -1.903 -0.806 7.798 1.00 15.54 N ATOM 1028 CA ARG A 68 -2.822 -1.216 8.808 1.00 31.34 C ATOM 1029 C ARG A 68 -4.130 -1.441 8.087 1.00 34.51 C ATOM 1030 O ARG A 68 -4.542 -0.596 7.311 1.00 60.42 O ATOM 1031 CB ARG A 68 -2.996 -0.088 9.829 1.00 12.43 C ATOM 1032 CG ARG A 68 -3.696 -0.491 11.096 1.00 70.03 C ATOM 1033 CD ARG A 68 -2.828 -1.463 11.867 1.00 20.44 C ATOM 1034 NE ARG A 68 -1.512 -0.879 12.177 1.00 0.23 N ATOM 1035 CZ ARG A 68 -0.537 -1.465 12.880 1.00 65.40 C ATOM 1036 NH1 ARG A 68 -0.691 -2.688 13.363 1.00 64.43 N ATOM 1037 NH2 ARG A 68 0.596 -0.821 13.086 1.00 71.05 N ATOM 0 H ARG A 68 -2.345 -0.312 7.023 1.00 15.54 H new ATOM 0 HA ARG A 68 -2.481 -2.106 9.336 1.00 31.34 H new ATOM 0 HB2 ARG A 68 -2.013 0.308 10.083 1.00 12.43 H new ATOM 0 HB3 ARG A 68 -3.556 0.723 9.363 1.00 12.43 H new ATOM 0 HG2 ARG A 68 -3.904 0.389 11.705 1.00 70.03 H new ATOM 0 HG3 ARG A 68 -4.656 -0.951 10.863 1.00 70.03 H new ATOM 0 HD2 ARG A 68 -3.329 -1.746 12.793 1.00 20.44 H new ATOM 0 HD3 ARG A 68 -2.695 -2.375 11.285 1.00 20.44 H new ATOM 0 HE ARG A 68 -1.327 0.059 11.823 1.00 0.23 H new ATOM 0 HH11 ARG A 68 -1.561 -3.195 13.200 1.00 64.43 H new ATOM 0 HH12 ARG A 68 0.061 -3.124 13.898 1.00 64.43 H new ATOM 0 HH21 ARG A 68 0.724 0.118 12.710 1.00 71.05 H new ATOM 0 HH22 ARG A 68 1.344 -1.263 13.621 1.00 71.05 H new ATOM 1051 N ILE A 69 -4.771 -2.549 8.300 1.00 32.30 N ATOM 1052 CA ILE A 69 -5.996 -2.807 7.592 1.00 73.33 C ATOM 1053 C ILE A 69 -7.161 -2.132 8.298 1.00 1.01 C ATOM 1054 O ILE A 69 -7.165 -1.994 9.531 1.00 24.51 O ATOM 1055 CB ILE A 69 -6.269 -4.322 7.495 1.00 24.03 C ATOM 1056 CG1 ILE A 69 -5.031 -5.053 6.980 1.00 33.50 C ATOM 1057 CG2 ILE A 69 -7.455 -4.592 6.578 1.00 73.13 C ATOM 1058 CD1 ILE A 69 -4.643 -4.724 5.551 1.00 34.21 C ATOM 0 H ILE A 69 -4.476 -3.281 8.946 1.00 32.30 H new ATOM 0 HA ILE A 69 -5.893 -2.403 6.585 1.00 73.33 H new ATOM 0 HB ILE A 69 -6.507 -4.693 8.492 1.00 24.03 H new ATOM 0 HG12 ILE A 69 -4.190 -4.818 7.633 1.00 33.50 H new ATOM 0 HG13 ILE A 69 -5.203 -6.127 7.056 1.00 33.50 H new ATOM 0 HG21 ILE A 69 -7.634 -5.666 6.521 1.00 73.13 H new ATOM 0 HG22 ILE A 69 -8.342 -4.097 6.975 1.00 73.13 H new ATOM 0 HG23 ILE A 69 -7.240 -4.207 5.581 1.00 73.13 H new ATOM 0 HD11 ILE A 69 -3.754 -5.291 5.276 1.00 34.21 H new ATOM 0 HD12 ILE A 69 -5.462 -4.987 4.882 1.00 34.21 H new ATOM 0 HD13 ILE A 69 -4.434 -3.658 5.467 1.00 34.21 H new ATOM 1070 N LYS A 70 -8.093 -1.676 7.526 1.00 23.42 N ATOM 1071 CA LYS A 70 -9.313 -1.124 8.020 1.00 63.23 C ATOM 1072 C LYS A 70 -10.202 -2.286 8.487 1.00 52.51 C ATOM 1073 O LYS A 70 -10.881 -2.908 7.640 1.00 39.16 O ATOM 1074 CB LYS A 70 -10.000 -0.336 6.901 1.00 35.50 C ATOM 1075 CG LYS A 70 -11.231 0.425 7.323 1.00 20.03 C ATOM 1076 CD LYS A 70 -11.812 1.199 6.150 1.00 62.41 C ATOM 1077 CE LYS A 70 -13.068 1.947 6.533 1.00 4.14 C ATOM 1078 NZ LYS A 70 -13.634 2.695 5.385 1.00 12.02 N ATOM 1079 OXT LYS A 70 -10.191 -2.605 9.693 1.00 39.16 O ATOM 0 H LYS A 70 -8.025 -1.677 6.508 1.00 23.42 H new ATOM 0 HA LYS A 70 -9.127 -0.446 8.853 1.00 63.23 H new ATOM 0 HB2 LYS A 70 -9.283 0.368 6.479 1.00 35.50 H new ATOM 0 HB3 LYS A 70 -10.274 -1.028 6.105 1.00 35.50 H new ATOM 0 HG2 LYS A 70 -11.977 -0.267 7.714 1.00 20.03 H new ATOM 0 HG3 LYS A 70 -10.981 1.113 8.131 1.00 20.03 H new ATOM 0 HD2 LYS A 70 -11.069 1.904 5.777 1.00 62.41 H new ATOM 0 HD3 LYS A 70 -12.034 0.510 5.335 1.00 62.41 H new ATOM 0 HE2 LYS A 70 -13.810 1.243 6.910 1.00 4.14 H new ATOM 0 HE3 LYS A 70 -12.845 2.640 7.344 1.00 4.14 H new ATOM 0 HZ1 LYS A 70 -14.494 3.195 5.687 1.00 12.02 H new ATOM 0 HZ2 LYS A 70 -12.935 3.384 5.041 1.00 12.02 H new ATOM 0 HZ3 LYS A 70 -13.870 2.031 4.620 1.00 12.02 H new