USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 596 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 13 ASN : amide:sc= -0.0659 K(o=-0.12,f=-1.4!) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.0516 K(o=-0.12,f=-2.8!) USER MOD Set 2.1: A 38 GLN : amide:sc= -0.457 K(o=-0.34,f=-3) USER MOD Set 2.2: A 43 ASN : amide:sc= 0.116 K(o=-0.34,f=-5.3!) USER MOD Set 3.1: A 14 THR OG1 : rot -157:sc= 0.0504 USER MOD Set 3.2: A 62 SER OG : rot 180:sc= 0.0485 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -87:sc= 0.358 USER MOD Single : A 11 ASN : amide:sc= -0.467 K(o=-0.47,f=-11!) USER MOD Single : A 12 HIS : no HD1:sc= 0.00493 X(o=0.0049,f=-0.33) USER MOD Single : A 15 MET CE :methyl -118:sc= -0.0302 (180deg=-0.763) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 170:sc= -0.0155 USER MOD Single : A 27 THR OG1 : rot -35:sc= 0.0309 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 75:sc= 0.362 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.224 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0889 USER MOD Single : A 56 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-0.27) USER MOD Single : A 58 MET CE :methyl -165:sc= -0.0267 (180deg=-0.288) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 1.05 (180deg=1.05) USER MOD Single : A 70 ASN : amide:sc= -0.0032 X(o=-0.0032,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -10.852 5.261 5.412 1.00 50.00 N ATOM 21 CA LYS A 2 -10.286 6.477 5.981 1.00 50.00 C ATOM 22 C LYS A 2 -9.013 6.178 6.764 1.00 50.00 C ATOM 23 O LYS A 2 -9.011 5.346 7.671 1.00 50.00 O ATOM 24 CB LYS A 2 -11.305 7.173 6.884 1.00 50.00 C ATOM 25 CG LYS A 2 -10.841 8.510 7.444 1.00 50.00 C ATOM 26 CD LYS A 2 -11.953 9.200 8.222 1.00 50.00 C ATOM 27 CE LYS A 2 -11.470 10.507 8.836 1.00 75.00 C ATOM 28 NZ LYS A 2 -12.561 11.216 9.560 1.00 75.00 N ATOM 0 HA LYS A 2 -10.032 7.142 5.156 1.00 50.00 H new ATOM 0 HB2 LYS A 2 -12.225 7.329 6.320 1.00 50.00 H new ATOM 0 HB3 LYS A 2 -11.549 6.510 7.714 1.00 50.00 H new ATOM 0 HG2 LYS A 2 -9.981 8.355 8.095 1.00 50.00 H new ATOM 0 HG3 LYS A 2 -10.511 9.154 6.628 1.00 50.00 H new ATOM 0 HD2 LYS A 2 -12.796 9.397 7.559 1.00 50.00 H new ATOM 0 HD3 LYS A 2 -12.314 8.538 9.009 1.00 50.00 H new ATOM 0 HE2 LYS A 2 -10.650 10.304 9.524 1.00 75.00 H new ATOM 0 HE3 LYS A 2 -11.075 11.153 8.052 1.00 75.00 H new ATOM 0 HZ1 LYS A 2 -12.192 12.101 9.963 1.00 75.00 H new ATOM 0 HZ2 LYS A 2 -13.333 11.433 8.898 1.00 75.00 H new ATOM 0 HZ3 LYS A 2 -12.921 10.610 10.325 1.00 75.00 H new ATOM 42 N ILE A 3 -7.930 6.862 6.408 1.00 50.00 N ATOM 43 CA ILE A 3 -6.638 6.638 7.044 1.00 50.00 C ATOM 44 C ILE A 3 -6.597 7.251 8.439 1.00 50.00 C ATOM 45 O ILE A 3 -6.945 8.417 8.625 1.00 50.00 O ATOM 46 CB ILE A 3 -5.486 7.218 6.204 1.00 50.00 C ATOM 47 CG1 ILE A 3 -5.388 6.492 4.860 1.00 50.00 C ATOM 48 CG2 ILE A 3 -4.172 7.120 6.964 1.00 50.00 C ATOM 49 CD1 ILE A 3 -4.428 7.138 3.887 1.00 50.00 C ATOM 0 H ILE A 3 -7.923 7.577 5.681 1.00 50.00 H new ATOM 0 HA ILE A 3 -6.509 5.558 7.122 1.00 50.00 H new ATOM 0 HB ILE A 3 -5.692 8.271 6.012 1.00 50.00 H new ATOM 0 HG12 ILE A 3 -5.075 5.463 5.035 1.00 50.00 H new ATOM 0 HG13 ILE A 3 -6.378 6.451 4.406 1.00 50.00 H new ATOM 0 HG21 ILE A 3 -3.368 7.534 6.356 1.00 50.00 H new ATOM 0 HG22 ILE A 3 -4.248 7.680 7.896 1.00 50.00 H new ATOM 0 HG23 ILE A 3 -3.957 6.075 7.186 1.00 50.00 H new ATOM 0 HD11 ILE A 3 -4.412 6.568 2.958 1.00 50.00 H new ATOM 0 HD12 ILE A 3 -4.751 8.158 3.681 1.00 50.00 H new ATOM 0 HD13 ILE A 3 -3.428 7.154 4.320 1.00 50.00 H new ATOM 61 N ILE A 4 -6.171 6.458 9.415 1.00 10.00 N ATOM 62 CA ILE A 4 -6.018 6.941 10.783 1.00 10.00 C ATOM 63 C ILE A 4 -4.587 7.388 11.052 1.00 10.00 C ATOM 64 O ILE A 4 -4.356 8.445 11.639 1.00 50.00 O ATOM 65 CB ILE A 4 -6.412 5.865 11.810 1.00 50.00 C ATOM 66 CG1 ILE A 4 -7.899 5.525 11.684 1.00 50.00 C ATOM 67 CG2 ILE A 4 -6.085 6.331 13.220 1.00 50.00 C ATOM 68 CD1 ILE A 4 -8.317 4.308 12.478 1.00 50.00 C ATOM 0 H ILE A 4 -5.925 5.477 9.285 1.00 10.00 H new ATOM 0 HA ILE A 4 -6.688 7.794 10.891 1.00 10.00 H new ATOM 0 HB ILE A 4 -5.836 4.963 11.606 1.00 50.00 H new ATOM 0 HG12 ILE A 4 -8.487 6.382 12.014 1.00 50.00 H new ATOM 0 HG13 ILE A 4 -8.137 5.361 10.633 1.00 50.00 H new ATOM 0 HG21 ILE A 4 -6.370 5.558 13.934 1.00 50.00 H new ATOM 0 HG22 ILE A 4 -5.015 6.523 13.301 1.00 50.00 H new ATOM 0 HG23 ILE A 4 -6.635 7.246 13.437 1.00 50.00 H new ATOM 0 HD11 ILE A 4 -9.383 4.131 12.338 1.00 50.00 H new ATOM 0 HD12 ILE A 4 -7.757 3.439 12.134 1.00 50.00 H new ATOM 0 HD13 ILE A 4 -8.113 4.476 13.535 1.00 50.00 H new ATOM 80 N SER A 5 -3.627 6.576 10.619 1.00 10.00 N ATOM 81 CA SER A 5 -2.216 6.894 10.799 1.00 10.00 C ATOM 82 C SER A 5 -1.342 6.064 9.866 1.00 10.00 C ATOM 83 O SER A 5 -1.590 4.877 9.659 1.00 50.00 O ATOM 84 CB SER A 5 -1.809 6.668 12.242 1.00 50.00 C ATOM 85 OG SER A 5 -0.443 6.904 12.447 1.00 50.00 O ATOM 0 H SER A 5 -3.802 5.692 10.141 1.00 10.00 H new ATOM 0 HA SER A 5 -2.070 7.945 10.550 1.00 10.00 H new ATOM 0 HB2 SER A 5 -2.391 7.324 12.889 1.00 50.00 H new ATOM 0 HB3 SER A 5 -2.047 5.644 12.529 1.00 50.00 H new ATOM 0 HG SER A 5 -0.222 6.749 13.389 1.00 50.00 H new ATOM 91 N ILE A 6 -0.317 6.697 9.305 1.00 10.00 N ATOM 92 CA ILE A 6 0.680 5.989 8.512 1.00 10.00 C ATOM 93 C ILE A 6 2.028 5.961 9.220 1.00 10.00 C ATOM 94 O ILE A 6 2.651 7.002 9.429 1.00 50.00 O ATOM 95 CB ILE A 6 0.854 6.627 7.122 1.00 50.00 C ATOM 96 CG1 ILE A 6 -0.470 6.599 6.353 1.00 50.00 C ATOM 97 CG2 ILE A 6 1.942 5.908 6.339 1.00 50.00 C ATOM 98 CD1 ILE A 6 -0.414 7.301 5.015 1.00 50.00 C ATOM 0 H ILE A 6 -0.155 7.701 9.385 1.00 10.00 H new ATOM 0 HA ILE A 6 0.317 4.969 8.389 1.00 10.00 H new ATOM 0 HB ILE A 6 1.155 7.666 7.253 1.00 50.00 H new ATOM 0 HG12 ILE A 6 -0.767 5.562 6.196 1.00 50.00 H new ATOM 0 HG13 ILE A 6 -1.244 7.063 6.964 1.00 50.00 H new ATOM 0 HG21 ILE A 6 2.052 6.372 5.359 1.00 50.00 H new ATOM 0 HG22 ILE A 6 2.886 5.976 6.881 1.00 50.00 H new ATOM 0 HG23 ILE A 6 1.669 4.860 6.216 1.00 50.00 H new ATOM 0 HD11 ILE A 6 -1.388 7.239 4.530 1.00 50.00 H new ATOM 0 HD12 ILE A 6 -0.149 8.348 5.164 1.00 50.00 H new ATOM 0 HD13 ILE A 6 0.336 6.823 4.385 1.00 50.00 H new ATOM 110 N SER A 7 2.473 4.764 9.587 1.00 10.00 N ATOM 111 CA SER A 7 3.686 4.609 10.381 1.00 10.00 C ATOM 112 C SER A 7 4.779 3.907 9.583 1.00 10.00 C ATOM 113 O SER A 7 4.514 3.317 8.535 1.00 50.00 O ATOM 114 CB SER A 7 3.383 3.840 11.652 1.00 50.00 C ATOM 115 OG SER A 7 3.008 2.516 11.389 1.00 50.00 O ATOM 0 H SER A 7 2.011 3.887 9.347 1.00 10.00 H new ATOM 0 HA SER A 7 4.049 5.602 10.646 1.00 10.00 H new ATOM 0 HB2 SER A 7 4.261 3.846 12.297 1.00 50.00 H new ATOM 0 HB3 SER A 7 2.583 4.342 12.197 1.00 50.00 H new ATOM 0 HG SER A 7 2.823 2.054 12.234 1.00 50.00 H new ATOM 121 N GLU A 8 6.007 3.977 10.085 1.00 10.00 N ATOM 122 CA GLU A 8 7.126 3.272 9.471 1.00 50.00 C ATOM 123 C GLU A 8 7.304 1.886 10.075 1.00 10.00 C ATOM 124 O GLU A 8 6.681 1.553 11.085 1.00 50.00 O ATOM 125 CB GLU A 8 8.416 4.081 9.624 1.00 50.00 C ATOM 126 CG GLU A 8 8.418 5.409 8.882 1.00 50.00 C ATOM 127 CD GLU A 8 9.702 6.159 9.104 1.00 50.00 C ATOM 128 OE1 GLU A 8 10.493 5.720 9.903 1.00 50.00 O ATOM 129 OE2 GLU A 8 9.944 7.107 8.396 1.00 50.00 O ATOM 0 H GLU A 8 6.253 4.515 10.916 1.00 10.00 H new ATOM 0 HA GLU A 8 6.904 3.155 8.410 1.00 50.00 H new ATOM 0 HB2 GLU A 8 8.588 4.271 10.684 1.00 50.00 H new ATOM 0 HB3 GLU A 8 9.252 3.479 9.268 1.00 50.00 H new ATOM 0 HG2 GLU A 8 8.278 5.232 7.816 1.00 50.00 H new ATOM 0 HG3 GLU A 8 7.577 6.016 9.217 1.00 50.00 H new ATOM 136 N THR A 9 8.153 1.078 9.452 1.00 50.00 N ATOM 137 CA THR A 9 8.407 -0.279 9.921 1.00 10.00 C ATOM 138 C THR A 9 9.901 -0.556 10.023 1.00 10.00 C ATOM 139 O THR A 9 10.722 0.219 9.532 1.00 50.00 O ATOM 140 CB THR A 9 7.762 -1.326 8.996 1.00 50.00 C ATOM 141 OG1 THR A 9 8.513 -1.420 7.779 1.00 50.00 O ATOM 142 CG2 THR A 9 6.326 -0.942 8.674 1.00 50.00 C ATOM 0 H THR A 9 8.679 1.340 8.618 1.00 50.00 H new ATOM 0 HA THR A 9 7.958 -0.358 10.911 1.00 10.00 H new ATOM 0 HB THR A 9 7.763 -2.289 9.507 1.00 50.00 H new ATOM 0 HG1 THR A 9 8.192 -0.747 7.143 1.00 50.00 H new ATOM 0 HG21 THR A 9 5.886 -1.694 8.019 1.00 50.00 H new ATOM 0 HG22 THR A 9 5.749 -0.883 9.597 1.00 50.00 H new ATOM 0 HG23 THR A 9 6.312 0.027 8.175 1.00 50.00 H new ATOM 150 N PRO A 10 10.250 -1.667 10.664 1.00 50.00 N ATOM 151 CA PRO A 10 11.647 -2.048 10.829 1.00 50.00 C ATOM 152 C PRO A 10 12.371 -2.085 9.489 1.00 50.00 C ATOM 153 O PRO A 10 13.573 -1.837 9.417 1.00 50.00 O ATOM 154 CB PRO A 10 11.580 -3.431 11.487 1.00 50.00 C ATOM 155 CG PRO A 10 10.290 -3.426 12.232 1.00 50.00 C ATOM 156 CD PRO A 10 9.339 -2.630 11.378 1.00 50.00 C ATOM 0 HA PRO A 10 12.211 -1.336 11.432 1.00 50.00 H new ATOM 0 HB2 PRO A 10 11.606 -4.227 10.742 1.00 50.00 H new ATOM 0 HB3 PRO A 10 12.425 -3.594 12.156 1.00 50.00 H new ATOM 0 HG2 PRO A 10 9.923 -4.440 12.389 1.00 50.00 H new ATOM 0 HG3 PRO A 10 10.407 -2.974 13.217 1.00 50.00 H new ATOM 0 HD2 PRO A 10 8.796 -3.266 10.679 1.00 50.00 H new ATOM 0 HD3 PRO A 10 8.594 -2.110 11.980 1.00 50.00 H new ATOM 164 N ASN A 11 11.631 -2.396 8.430 1.00 50.00 N ATOM 165 CA ASN A 11 12.150 -2.287 7.074 1.00 50.00 C ATOM 166 C ASN A 11 11.634 -1.028 6.387 1.00 50.00 C ATOM 167 O ASN A 11 10.451 -0.928 6.060 1.00 50.00 O ATOM 168 CB ASN A 11 11.809 -3.512 6.246 1.00 50.00 C ATOM 169 CG ASN A 11 12.418 -3.503 4.873 1.00 50.00 C ATOM 170 OD1 ASN A 11 12.874 -2.465 4.380 1.00 75.00 O ATOM 171 ND2 ASN A 11 12.354 -4.636 4.219 1.00 50.00 N ATOM 0 H ASN A 11 10.668 -2.726 8.486 1.00 50.00 H new ATOM 0 HA ASN A 11 13.235 -2.221 7.151 1.00 50.00 H new ATOM 0 HB2 ASN A 11 12.145 -4.403 6.777 1.00 50.00 H new ATOM 0 HB3 ASN A 11 10.726 -3.586 6.153 1.00 50.00 H new ATOM 0 HD21 ASN A 11 12.690 -4.689 3.257 1.00 50.00 H new ATOM 0 HD22 ASN A 11 11.969 -5.465 4.671 1.00 50.00 H new ATOM 178 N HIS A 12 12.527 -0.068 6.172 1.00 50.00 N ATOM 179 CA HIS A 12 12.132 1.257 5.711 1.00 50.00 C ATOM 180 C HIS A 12 11.577 1.204 4.292 1.00 50.00 C ATOM 181 O HIS A 12 10.949 2.152 3.826 1.00 50.00 O ATOM 182 CB HIS A 12 13.317 2.227 5.773 1.00 50.00 C ATOM 183 CG HIS A 12 14.392 1.928 4.774 1.00 50.00 C ATOM 184 ND1 HIS A 12 15.331 0.937 4.967 1.00 75.00 N ATOM 185 CD2 HIS A 12 14.677 2.490 3.577 1.00 50.00 C ATOM 186 CE1 HIS A 12 16.148 0.902 3.929 1.00 75.00 C ATOM 187 NE2 HIS A 12 15.773 1.834 3.072 1.00 75.00 N ATOM 0 H HIS A 12 13.531 -0.184 6.310 1.00 50.00 H new ATOM 0 HA HIS A 12 11.346 1.617 6.375 1.00 50.00 H new ATOM 0 HB2 HIS A 12 12.954 3.242 5.610 1.00 50.00 H new ATOM 0 HB3 HIS A 12 13.746 2.199 6.775 1.00 50.00 H new ATOM 0 HD2 HIS A 12 14.143 3.302 3.107 1.00 50.00 H new ATOM 0 HE1 HIS A 12 16.981 0.226 3.803 1.00 75.00 H new ATOM 0 HE2 HIS A 12 16.224 2.034 2.179 1.00 75.00 H new ATOM 195 N ASN A 13 11.812 0.086 3.612 1.00 10.00 N ATOM 196 CA ASN A 13 11.355 -0.084 2.238 1.00 10.00 C ATOM 197 C ASN A 13 9.841 -0.235 2.176 1.00 10.00 C ATOM 198 O ASN A 13 9.228 -0.013 1.132 1.00 50.00 O ATOM 199 CB ASN A 13 12.029 -1.269 1.572 1.00 50.00 C ATOM 200 CG ASN A 13 13.462 -1.020 1.199 1.00 50.00 C ATOM 201 OD1 ASN A 13 13.931 0.122 1.180 1.00 50.00 O ATOM 202 ND2 ASN A 13 14.139 -2.075 0.823 1.00 50.00 N ATOM 0 H ASN A 13 12.316 -0.716 3.991 1.00 10.00 H new ATOM 0 HA ASN A 13 11.634 0.817 1.692 1.00 10.00 H new ATOM 0 HB2 ASN A 13 11.982 -2.126 2.243 1.00 50.00 H new ATOM 0 HB3 ASN A 13 11.471 -1.536 0.675 1.00 50.00 H new ATOM 0 HD21 ASN A 13 15.100 -1.974 0.495 1.00 50.00 H new ATOM 0 HD22 ASN A 13 13.706 -2.998 0.858 1.00 50.00 H new ATOM 209 N THR A 14 9.242 -0.611 3.302 1.00 10.00 N ATOM 210 CA THR A 14 7.795 -0.753 3.388 1.00 10.00 C ATOM 211 C THR A 14 7.230 0.060 4.545 1.00 10.00 C ATOM 212 O THR A 14 7.885 0.233 5.573 1.00 50.00 O ATOM 213 CB THR A 14 7.379 -2.226 3.558 1.00 50.00 C ATOM 214 OG1 THR A 14 5.953 -2.313 3.673 1.00 50.00 O ATOM 215 CG2 THR A 14 8.020 -2.820 4.803 1.00 50.00 C ATOM 0 H THR A 14 9.738 -0.823 4.168 1.00 10.00 H new ATOM 0 HA THR A 14 7.387 -0.377 2.450 1.00 10.00 H new ATOM 0 HB THR A 14 7.715 -2.786 2.685 1.00 50.00 H new ATOM 0 HG1 THR A 14 5.712 -3.146 4.130 1.00 50.00 H new ATOM 0 HG21 THR A 14 7.715 -3.861 4.908 1.00 50.00 H new ATOM 0 HG22 THR A 14 9.105 -2.767 4.714 1.00 50.00 H new ATOM 0 HG23 THR A 14 7.700 -2.258 5.680 1.00 50.00 H new ATOM 223 N MET A 15 6.010 0.558 4.372 1.00 10.00 N ATOM 224 CA MET A 15 5.353 1.353 5.404 1.00 10.00 C ATOM 225 C MET A 15 3.977 0.794 5.736 1.00 10.00 C ATOM 226 O MET A 15 3.382 0.067 4.940 1.00 50.00 O ATOM 227 CB MET A 15 5.240 2.808 4.955 1.00 50.00 C ATOM 228 CG MET A 15 6.568 3.547 4.868 1.00 50.00 C ATOM 229 SD MET A 15 6.381 5.250 4.304 1.00 50.00 S ATOM 230 CE MET A 15 5.629 6.002 5.744 1.00 50.00 C ATOM 0 H MET A 15 5.456 0.425 3.526 1.00 10.00 H new ATOM 0 HA MET A 15 5.962 1.306 6.307 1.00 10.00 H new ATOM 0 HB2 MET A 15 4.758 2.837 3.978 1.00 50.00 H new ATOM 0 HB3 MET A 15 4.588 3.339 5.648 1.00 50.00 H new ATOM 0 HG2 MET A 15 7.046 3.543 5.848 1.00 50.00 H new ATOM 0 HG3 MET A 15 7.232 3.014 4.187 1.00 50.00 H new ATOM 0 HE1 MET A 15 4.641 6.381 5.482 1.00 50.00 H new ATOM 0 HE2 MET A 15 5.534 5.258 6.535 1.00 50.00 H new ATOM 0 HE3 MET A 15 6.253 6.825 6.092 1.00 50.00 H new ATOM 240 N LYS A 16 3.473 1.138 6.917 1.00 10.00 N ATOM 241 CA LYS A 16 2.200 0.613 7.390 1.00 10.00 C ATOM 242 C LYS A 16 1.121 1.686 7.377 1.00 10.00 C ATOM 243 O LYS A 16 1.270 2.739 8.000 1.00 50.00 O ATOM 244 CB LYS A 16 2.349 0.033 8.798 1.00 50.00 C ATOM 245 CG LYS A 16 1.053 -0.487 9.405 1.00 50.00 C ATOM 246 CD LYS A 16 1.254 -0.920 10.849 1.00 50.00 C ATOM 247 CE LYS A 16 -0.065 -1.317 11.498 1.00 50.00 C ATOM 248 NZ LYS A 16 0.115 -1.737 12.913 1.00 50.00 N ATOM 0 H LYS A 16 3.930 1.780 7.565 1.00 10.00 H new ATOM 0 HA LYS A 16 1.896 -0.183 6.710 1.00 10.00 H new ATOM 0 HB2 LYS A 16 3.074 -0.781 8.768 1.00 50.00 H new ATOM 0 HB3 LYS A 16 2.760 0.802 9.453 1.00 50.00 H new ATOM 0 HG2 LYS A 16 0.290 0.290 9.359 1.00 50.00 H new ATOM 0 HG3 LYS A 16 0.686 -1.329 8.818 1.00 50.00 H new ATOM 0 HD2 LYS A 16 1.947 -1.761 10.885 1.00 50.00 H new ATOM 0 HD3 LYS A 16 1.709 -0.107 11.414 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -0.758 -0.477 11.455 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -0.517 -2.132 10.932 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -0.807 -1.999 13.317 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 0.756 -2.555 12.953 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 0.522 -0.951 13.459 1.00 50.00 H new ATOM 262 N ILE A 17 0.031 1.416 6.665 1.00 10.00 N ATOM 263 CA ILE A 17 -1.067 2.368 6.552 1.00 10.00 C ATOM 264 C ILE A 17 -2.316 1.855 7.256 1.00 10.00 C ATOM 265 O ILE A 17 -2.957 0.912 6.795 1.00 50.00 O ATOM 266 CB ILE A 17 -1.405 2.669 5.080 1.00 50.00 C ATOM 267 CG1 ILE A 17 -0.186 3.253 4.361 1.00 50.00 C ATOM 268 CG2 ILE A 17 -2.587 3.619 4.989 1.00 50.00 C ATOM 269 CD1 ILE A 17 -0.376 3.414 2.870 1.00 50.00 C ATOM 0 H ILE A 17 -0.115 0.544 6.157 1.00 10.00 H new ATOM 0 HA ILE A 17 -0.735 3.288 7.034 1.00 10.00 H new ATOM 0 HB ILE A 17 -1.679 1.735 4.589 1.00 50.00 H new ATOM 0 HG12 ILE A 17 0.049 4.225 4.795 1.00 50.00 H new ATOM 0 HG13 ILE A 17 0.674 2.608 4.541 1.00 50.00 H new ATOM 0 HG21 ILE A 17 -2.812 3.821 3.942 1.00 50.00 H new ATOM 0 HG22 ILE A 17 -3.456 3.165 5.466 1.00 50.00 H new ATOM 0 HG23 ILE A 17 -2.342 4.553 5.494 1.00 50.00 H new ATOM 0 HD11 ILE A 17 0.529 3.833 2.431 1.00 50.00 H new ATOM 0 HD12 ILE A 17 -0.580 2.441 2.422 1.00 50.00 H new ATOM 0 HD13 ILE A 17 -1.215 4.084 2.680 1.00 50.00 H new ATOM 281 N THR A 18 -2.657 2.483 8.376 1.00 10.00 N ATOM 282 CA THR A 18 -3.778 2.034 9.194 1.00 10.00 C ATOM 283 C THR A 18 -5.081 2.684 8.745 1.00 10.00 C ATOM 284 O THR A 18 -5.174 3.906 8.641 1.00 50.00 O ATOM 285 CB THR A 18 -3.549 2.347 10.685 1.00 50.00 C ATOM 286 OG1 THR A 18 -2.383 1.652 11.148 1.00 50.00 O ATOM 287 CG2 THR A 18 -4.753 1.916 11.510 1.00 50.00 C ATOM 0 H THR A 18 -2.173 3.305 8.738 1.00 10.00 H new ATOM 0 HA THR A 18 -3.850 0.954 9.065 1.00 10.00 H new ATOM 0 HB THR A 18 -3.409 3.422 10.799 1.00 50.00 H new ATOM 0 HG1 THR A 18 -2.237 1.853 12.096 1.00 50.00 H new ATOM 0 HG21 THR A 18 -4.575 2.144 12.561 1.00 50.00 H new ATOM 0 HG22 THR A 18 -5.639 2.451 11.168 1.00 50.00 H new ATOM 0 HG23 THR A 18 -4.909 0.844 11.393 1.00 50.00 H new ATOM 295 N LEU A 19 -6.087 1.856 8.479 1.00 10.00 N ATOM 296 CA LEU A 19 -7.400 2.349 8.083 1.00 50.00 C ATOM 297 C LEU A 19 -8.426 2.132 9.189 1.00 10.00 C ATOM 298 O LEU A 19 -8.290 1.222 10.006 1.00 50.00 O ATOM 299 CB LEU A 19 -7.856 1.663 6.790 1.00 50.00 C ATOM 300 CG LEU A 19 -6.871 1.758 5.618 1.00 50.00 C ATOM 301 CD1 LEU A 19 -7.384 0.943 4.438 1.00 50.00 C ATOM 302 CD2 LEU A 19 -6.686 3.216 5.227 1.00 50.00 C ATOM 0 H LEU A 19 -6.017 0.840 8.531 1.00 10.00 H new ATOM 0 HA LEU A 19 -7.320 3.421 7.905 1.00 50.00 H new ATOM 0 HB2 LEU A 19 -8.043 0.610 7.002 1.00 50.00 H new ATOM 0 HB3 LEU A 19 -8.806 2.099 6.482 1.00 50.00 H new ATOM 0 HG LEU A 19 -5.906 1.351 5.919 1.00 50.00 H new ATOM 0 HD11 LEU A 19 -6.678 1.017 3.611 1.00 50.00 H new ATOM 0 HD12 LEU A 19 -7.488 -0.101 4.735 1.00 50.00 H new ATOM 0 HD13 LEU A 19 -8.353 1.329 4.123 1.00 50.00 H new ATOM 0 HD21 LEU A 19 -5.986 3.283 4.394 1.00 50.00 H new ATOM 0 HD22 LEU A 19 -7.646 3.637 4.929 1.00 50.00 H new ATOM 0 HD23 LEU A 19 -6.293 3.774 6.077 1.00 50.00 H new ATOM 314 N SER A 20 -9.454 2.975 9.209 1.00 10.00 N ATOM 315 CA SER A 20 -10.586 2.781 10.106 1.00 10.00 C ATOM 316 C SER A 20 -11.463 1.625 9.645 1.00 50.00 C ATOM 317 O SER A 20 -11.987 0.866 10.462 1.00 50.00 O ATOM 318 CB SER A 20 -11.400 4.057 10.203 1.00 50.00 C ATOM 319 OG SER A 20 -12.021 4.378 8.989 1.00 50.00 O ATOM 0 H SER A 20 -9.525 3.800 8.613 1.00 10.00 H new ATOM 0 HA SER A 20 -10.198 2.532 11.094 1.00 10.00 H new ATOM 0 HB2 SER A 20 -12.157 3.946 10.979 1.00 50.00 H new ATOM 0 HB3 SER A 20 -10.751 4.879 10.506 1.00 50.00 H new ATOM 0 HG SER A 20 -12.659 5.108 9.131 1.00 50.00 H new ATOM 414 N THR A 27 -9.331 -10.190 6.062 1.00 50.00 N ATOM 415 CA THR A 27 -8.393 -11.305 6.141 1.00 50.00 C ATOM 416 C THR A 27 -7.083 -10.973 5.439 1.00 50.00 C ATOM 417 O THR A 27 -7.010 -10.026 4.655 1.00 50.00 O ATOM 418 CB THR A 27 -8.985 -12.586 5.524 1.00 50.00 C ATOM 419 OG1 THR A 27 -9.227 -12.377 4.127 1.00 50.00 O ATOM 420 CG2 THR A 27 -10.290 -12.954 6.210 1.00 75.00 C ATOM 0 HA THR A 27 -8.200 -11.479 7.200 1.00 50.00 H new ATOM 0 HB THR A 27 -8.273 -13.400 5.660 1.00 50.00 H new ATOM 0 HG1 THR A 27 -9.513 -11.451 3.979 1.00 50.00 H new ATOM 0 HG21 THR A 27 -10.694 -13.861 5.761 1.00 75.00 H new ATOM 0 HG22 THR A 27 -10.108 -13.124 7.271 1.00 75.00 H new ATOM 0 HG23 THR A 27 -11.006 -12.141 6.091 1.00 75.00 H new ATOM 428 N SER A 28 -6.049 -11.758 5.725 1.00 10.00 N ATOM 429 CA SER A 28 -4.722 -11.509 5.173 1.00 10.00 C ATOM 430 C SER A 28 -4.648 -11.923 3.709 1.00 10.00 C ATOM 431 O SER A 28 -5.339 -12.848 3.280 1.00 50.00 O ATOM 432 CB SER A 28 -3.674 -12.243 5.985 1.00 50.00 C ATOM 433 OG SER A 28 -3.788 -13.634 5.857 1.00 50.00 O ATOM 0 H SER A 28 -6.105 -12.573 6.336 1.00 10.00 H new ATOM 0 HA SER A 28 -4.526 -10.438 5.227 1.00 10.00 H new ATOM 0 HB2 SER A 28 -2.681 -11.930 5.663 1.00 50.00 H new ATOM 0 HB3 SER A 28 -3.770 -11.967 7.035 1.00 50.00 H new ATOM 0 HG SER A 28 -3.094 -14.070 6.394 1.00 50.00 H new ATOM 439 N ASP A 29 -3.807 -11.235 2.947 1.00 10.00 N ATOM 440 CA ASP A 29 -3.560 -11.598 1.557 1.00 10.00 C ATOM 441 C ASP A 29 -2.274 -10.962 1.041 1.00 10.00 C ATOM 442 O ASP A 29 -1.793 -9.975 1.596 1.00 50.00 O ATOM 443 CB ASP A 29 -4.741 -11.185 0.675 1.00 50.00 C ATOM 444 CG ASP A 29 -4.865 -11.973 -0.621 1.00 50.00 C ATOM 445 OD1 ASP A 29 -4.024 -12.803 -0.870 1.00 50.00 O ATOM 446 OD2 ASP A 29 -5.875 -11.853 -1.271 1.00 50.00 O ATOM 0 H ASP A 29 -3.283 -10.421 3.269 1.00 10.00 H new ATOM 0 HA ASP A 29 -3.447 -12.681 1.512 1.00 10.00 H new ATOM 0 HB2 ASP A 29 -5.662 -11.301 1.246 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -4.646 -10.126 0.434 1.00 50.00 H new ATOM 451 N THR A 30 -1.723 -11.535 -0.023 1.00 10.00 N ATOM 452 CA THR A 30 -0.505 -11.013 -0.629 1.00 10.00 C ATOM 453 C THR A 30 -0.730 -10.643 -2.090 1.00 10.00 C ATOM 454 O THR A 30 -1.239 -11.446 -2.872 1.00 50.00 O ATOM 455 CB THR A 30 0.651 -12.026 -0.541 1.00 50.00 C ATOM 456 OG1 THR A 30 0.923 -12.327 0.834 1.00 50.00 O ATOM 457 CG2 THR A 30 1.907 -11.464 -1.189 1.00 50.00 C ATOM 0 H THR A 30 -2.102 -12.362 -0.484 1.00 10.00 H new ATOM 0 HA THR A 30 -0.236 -10.119 -0.067 1.00 10.00 H new ATOM 0 HB THR A 30 0.357 -12.933 -1.069 1.00 50.00 H new ATOM 0 HG1 THR A 30 1.658 -12.973 0.888 1.00 50.00 H new ATOM 0 HG21 THR A 30 2.712 -12.195 -1.116 1.00 50.00 H new ATOM 0 HG22 THR A 30 1.709 -11.246 -2.238 1.00 50.00 H new ATOM 0 HG23 THR A 30 2.202 -10.548 -0.677 1.00 50.00 H new ATOM 465 N TYR A 31 -0.349 -9.423 -2.451 1.00 10.00 N ATOM 466 CA TYR A 31 -0.560 -8.924 -3.806 1.00 10.00 C ATOM 467 C TYR A 31 0.756 -8.510 -4.450 1.00 10.00 C ATOM 468 O TYR A 31 1.603 -7.888 -3.811 1.00 50.00 O ATOM 469 CB TYR A 31 -1.535 -7.745 -3.796 1.00 50.00 C ATOM 470 CG TYR A 31 -2.903 -8.083 -3.247 1.00 50.00 C ATOM 471 CD1 TYR A 31 -3.802 -8.833 -3.990 1.00 50.00 C ATOM 472 CD2 TYR A 31 -3.292 -7.653 -1.986 1.00 50.00 C ATOM 473 CE1 TYR A 31 -5.052 -9.146 -3.493 1.00 50.00 C ATOM 474 CE2 TYR A 31 -4.540 -7.960 -1.479 1.00 50.00 C ATOM 475 CZ TYR A 31 -5.418 -8.707 -2.237 1.00 50.00 C ATOM 476 OH TYR A 31 -6.663 -9.015 -1.739 1.00 50.00 O ATOM 0 H TYR A 31 0.108 -8.760 -1.824 1.00 10.00 H new ATOM 0 HA TYR A 31 -0.989 -9.733 -4.397 1.00 10.00 H new ATOM 0 HB2 TYR A 31 -1.106 -6.937 -3.203 1.00 50.00 H new ATOM 0 HB3 TYR A 31 -1.646 -7.370 -4.813 1.00 50.00 H new ATOM 0 HD1 TYR A 31 -3.520 -9.178 -4.974 1.00 50.00 H new ATOM 0 HD2 TYR A 31 -2.607 -7.068 -1.390 1.00 50.00 H new ATOM 0 HE1 TYR A 31 -5.740 -9.732 -4.085 1.00 50.00 H new ATOM 0 HE2 TYR A 31 -4.826 -7.617 -0.496 1.00 50.00 H new ATOM 0 HH TYR A 31 -6.684 -9.958 -1.472 1.00 50.00 H new ATOM 486 N THR A 32 0.921 -8.857 -5.723 1.00 10.00 N ATOM 487 CA THR A 32 2.167 -8.594 -6.433 1.00 10.00 C ATOM 488 C THR A 32 1.915 -7.801 -7.710 1.00 10.00 C ATOM 489 O THR A 32 2.241 -6.618 -7.790 1.00 50.00 O ATOM 490 CB THR A 32 2.899 -9.901 -6.790 1.00 50.00 C ATOM 491 OG1 THR A 32 2.013 -10.773 -7.500 1.00 50.00 O ATOM 492 CG2 THR A 32 3.388 -10.597 -5.530 1.00 50.00 C ATOM 0 H THR A 32 0.207 -9.321 -6.284 1.00 10.00 H new ATOM 0 HA THR A 32 2.794 -8.008 -5.762 1.00 10.00 H new ATOM 0 HB THR A 32 3.757 -9.659 -7.417 1.00 50.00 H new ATOM 0 HG1 THR A 32 2.483 -11.603 -7.727 1.00 50.00 H new ATOM 0 HG21 THR A 32 3.903 -11.519 -5.800 1.00 50.00 H new ATOM 0 HG22 THR A 32 4.075 -9.941 -4.995 1.00 50.00 H new ATOM 0 HG23 THR A 32 2.537 -10.831 -4.890 1.00 50.00 H new ATOM 500 N LYS A 33 1.331 -8.460 -8.706 1.00 10.00 N ATOM 501 CA LYS A 33 1.057 -7.825 -9.987 1.00 50.00 C ATOM 502 C LYS A 33 -0.426 -7.517 -10.144 1.00 50.00 C ATOM 503 O LYS A 33 -1.278 -8.222 -9.600 1.00 50.00 O ATOM 504 CB LYS A 33 1.535 -8.712 -11.138 1.00 50.00 C ATOM 505 CG LYS A 33 3.044 -8.906 -11.198 1.00 50.00 C ATOM 506 CD LYS A 33 3.444 -9.768 -12.386 1.00 50.00 C ATOM 507 CE LYS A 33 4.954 -9.952 -12.453 1.00 75.00 C ATOM 508 NZ LYS A 33 5.363 -10.767 -13.629 1.00 75.00 N ATOM 0 H LYS A 33 1.039 -9.435 -8.649 1.00 10.00 H new ATOM 0 HA LYS A 33 1.605 -6.883 -10.015 1.00 50.00 H new ATOM 0 HB2 LYS A 33 1.059 -9.688 -11.050 1.00 50.00 H new ATOM 0 HB3 LYS A 33 1.199 -8.277 -12.079 1.00 50.00 H new ATOM 0 HG2 LYS A 33 3.535 -7.935 -11.269 1.00 50.00 H new ATOM 0 HG3 LYS A 33 3.390 -9.372 -10.275 1.00 50.00 H new ATOM 0 HD2 LYS A 33 2.960 -10.742 -12.311 1.00 50.00 H new ATOM 0 HD3 LYS A 33 3.091 -9.307 -13.308 1.00 50.00 H new ATOM 0 HE2 LYS A 33 5.437 -8.976 -12.502 1.00 75.00 H new ATOM 0 HE3 LYS A 33 5.302 -10.434 -11.539 1.00 75.00 H new ATOM 0 HZ1 LYS A 33 6.398 -10.869 -13.638 1.00 75.00 H new ATOM 0 HZ2 LYS A 33 4.923 -11.708 -13.569 1.00 75.00 H new ATOM 0 HZ3 LYS A 33 5.054 -10.295 -14.503 1.00 75.00 H new ATOM 522 N VAL A 34 -0.731 -6.463 -10.892 1.00 50.00 N ATOM 523 CA VAL A 34 -2.113 -6.047 -11.105 1.00 50.00 C ATOM 524 C VAL A 34 -2.945 -7.180 -11.693 1.00 50.00 C ATOM 525 O VAL A 34 -2.529 -7.839 -12.647 1.00 50.00 O ATOM 526 CB VAL A 34 -2.198 -4.824 -12.038 1.00 50.00 C ATOM 527 CG1 VAL A 34 -3.645 -4.544 -12.417 1.00 50.00 C ATOM 528 CG2 VAL A 34 -1.579 -3.604 -11.374 1.00 50.00 C ATOM 0 H VAL A 34 -0.039 -5.880 -11.362 1.00 50.00 H new ATOM 0 HA VAL A 34 -2.513 -5.776 -10.128 1.00 50.00 H new ATOM 0 HB VAL A 34 -1.638 -5.044 -12.947 1.00 50.00 H new ATOM 0 HG11 VAL A 34 -3.687 -3.677 -13.076 1.00 50.00 H new ATOM 0 HG12 VAL A 34 -4.061 -5.411 -12.930 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -4.225 -4.343 -11.516 1.00 50.00 H new ATOM 0 HG21 VAL A 34 -1.648 -2.749 -12.047 1.00 50.00 H new ATOM 0 HG22 VAL A 34 -2.113 -3.382 -10.450 1.00 50.00 H new ATOM 0 HG23 VAL A 34 -0.532 -3.805 -11.148 1.00 50.00 H new ATOM 538 N ASP A 35 -4.122 -7.404 -11.118 1.00 50.00 N ATOM 539 CA ASP A 35 -4.981 -8.506 -11.534 1.00 50.00 C ATOM 540 C ASP A 35 -6.437 -8.235 -11.173 1.00 50.00 C ATOM 541 O ASP A 35 -6.728 -7.411 -10.308 1.00 50.00 O ATOM 542 CB ASP A 35 -4.517 -9.819 -10.900 1.00 50.00 C ATOM 543 CG ASP A 35 -4.978 -11.069 -11.635 1.00 50.00 C ATOM 544 OD1 ASP A 35 -5.630 -10.937 -12.644 1.00 50.00 O ATOM 545 OD2 ASP A 35 -4.547 -12.138 -11.275 1.00 50.00 O ATOM 0 H ASP A 35 -4.503 -6.836 -10.361 1.00 50.00 H new ATOM 0 HA ASP A 35 -4.908 -8.593 -12.618 1.00 50.00 H new ATOM 0 HB2 ASP A 35 -3.428 -9.821 -10.853 1.00 50.00 H new ATOM 0 HB3 ASP A 35 -4.881 -9.861 -9.873 1.00 50.00 H new ATOM 550 N ASP A 36 -7.347 -8.935 -11.844 1.00 50.00 N ATOM 551 CA ASP A 36 -8.774 -8.738 -11.626 1.00 50.00 C ATOM 552 C ASP A 36 -9.220 -9.343 -10.302 1.00 50.00 C ATOM 553 O ASP A 36 -10.144 -8.847 -9.661 1.00 50.00 O ATOM 554 CB ASP A 36 -9.580 -9.344 -12.779 1.00 50.00 C ATOM 555 CG ASP A 36 -9.510 -8.555 -14.079 1.00 50.00 C ATOM 556 OD1 ASP A 36 -9.058 -7.435 -14.048 1.00 50.00 O ATOM 557 OD2 ASP A 36 -9.757 -9.129 -15.113 1.00 50.00 O ATOM 0 H ASP A 36 -7.121 -9.643 -12.542 1.00 50.00 H new ATOM 0 HA ASP A 36 -8.959 -7.665 -11.588 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -9.222 -10.357 -12.963 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -10.623 -9.425 -12.473 1.00 50.00 H new ATOM 562 N SER A 37 -8.556 -10.421 -9.897 1.00 50.00 N ATOM 563 CA SER A 37 -8.870 -11.086 -8.637 1.00 50.00 C ATOM 564 C SER A 37 -8.566 -10.183 -7.447 1.00 50.00 C ATOM 565 O SER A 37 -9.052 -10.416 -6.341 1.00 50.00 O ATOM 566 CB SER A 37 -8.096 -12.385 -8.527 1.00 50.00 C ATOM 567 OG SER A 37 -6.714 -12.169 -8.434 1.00 50.00 O ATOM 0 H SER A 37 -7.797 -10.853 -10.423 1.00 50.00 H new ATOM 0 HA SER A 37 -9.937 -11.307 -8.625 1.00 50.00 H new ATOM 0 HB2 SER A 37 -8.436 -12.936 -7.650 1.00 50.00 H new ATOM 0 HB3 SER A 37 -8.308 -13.007 -9.397 1.00 50.00 H new ATOM 0 HG SER A 37 -6.252 -13.031 -8.363 1.00 50.00 H new ATOM 573 N GLN A 38 -7.759 -9.155 -7.683 1.00 50.00 N ATOM 574 CA GLN A 38 -7.362 -8.235 -6.624 1.00 50.00 C ATOM 575 C GLN A 38 -8.339 -7.070 -6.513 1.00 50.00 C ATOM 576 O GLN A 38 -8.965 -6.676 -7.498 1.00 50.00 O ATOM 577 CB GLN A 38 -5.950 -7.702 -6.877 1.00 50.00 C ATOM 578 CG GLN A 38 -4.916 -8.781 -7.148 1.00 50.00 C ATOM 579 CD GLN A 38 -3.553 -8.207 -7.483 1.00 50.00 C ATOM 580 OE1 GLN A 38 -3.405 -6.996 -7.673 1.00 75.00 O ATOM 581 NE2 GLN A 38 -2.550 -9.074 -7.562 1.00 50.00 N ATOM 0 H GLN A 38 -7.367 -8.938 -8.599 1.00 50.00 H new ATOM 0 HA GLN A 38 -7.373 -8.787 -5.684 1.00 50.00 H new ATOM 0 HB2 GLN A 38 -5.978 -7.020 -7.727 1.00 50.00 H new ATOM 0 HB3 GLN A 38 -5.633 -7.120 -6.012 1.00 50.00 H new ATOM 0 HG2 GLN A 38 -4.830 -9.426 -6.273 1.00 50.00 H new ATOM 0 HG3 GLN A 38 -5.256 -9.407 -7.973 1.00 50.00 H new ATOM 0 HE21 GLN A 38 -2.719 -10.066 -7.397 1.00 50.00 H new ATOM 0 HE22 GLN A 38 -1.610 -8.748 -7.788 1.00 50.00 H new ATOM 590 N PRO A 39 -8.465 -6.522 -5.309 1.00 50.00 N ATOM 591 CA PRO A 39 -9.210 -5.287 -5.104 1.00 50.00 C ATOM 592 C PRO A 39 -8.768 -4.207 -6.085 1.00 50.00 C ATOM 593 O PRO A 39 -7.574 -4.019 -6.318 1.00 50.00 O ATOM 594 CB PRO A 39 -8.907 -4.904 -3.651 1.00 50.00 C ATOM 595 CG PRO A 39 -8.542 -6.192 -2.996 1.00 50.00 C ATOM 596 CD PRO A 39 -7.824 -6.988 -4.054 1.00 50.00 C ATOM 0 HA PRO A 39 -10.279 -5.405 -5.279 1.00 50.00 H new ATOM 0 HB2 PRO A 39 -8.091 -4.183 -3.592 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -9.772 -4.446 -3.172 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -7.903 -6.025 -2.129 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -9.429 -6.718 -2.642 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -6.752 -6.791 -4.050 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -7.951 -8.061 -3.909 1.00 50.00 H new ATOM 604 N ALA A 40 -9.738 -3.502 -6.657 1.00 50.00 N ATOM 605 CA ALA A 40 -9.448 -2.413 -7.582 1.00 50.00 C ATOM 606 C ALA A 40 -8.468 -1.418 -6.973 1.00 50.00 C ATOM 607 O ALA A 40 -7.533 -0.969 -7.636 1.00 50.00 O ATOM 608 CB ALA A 40 -10.735 -1.711 -7.992 1.00 50.00 C ATOM 0 H ALA A 40 -10.732 -3.665 -6.496 1.00 50.00 H new ATOM 0 HA ALA A 40 -8.982 -2.840 -8.470 1.00 50.00 H new ATOM 0 HB1 ALA A 40 -10.503 -0.900 -8.683 1.00 50.00 H new ATOM 0 HB2 ALA A 40 -11.399 -2.424 -8.480 1.00 50.00 H new ATOM 0 HB3 ALA A 40 -11.226 -1.305 -7.107 1.00 50.00 H new ATOM 614 N PHE A 41 -8.688 -1.077 -5.708 1.00 50.00 N ATOM 615 CA PHE A 41 -7.849 -0.103 -5.021 1.00 50.00 C ATOM 616 C PHE A 41 -6.433 -0.633 -4.831 1.00 50.00 C ATOM 617 O PHE A 41 -5.468 0.132 -4.836 1.00 50.00 O ATOM 618 CB PHE A 41 -8.458 0.265 -3.667 1.00 50.00 C ATOM 619 CG PHE A 41 -8.125 -0.703 -2.568 1.00 50.00 C ATOM 620 CD1 PHE A 41 -6.990 -0.531 -1.792 1.00 75.00 C ATOM 621 CD2 PHE A 41 -8.948 -1.790 -2.309 1.00 75.00 C ATOM 622 CE1 PHE A 41 -6.682 -1.423 -0.780 1.00 75.00 C ATOM 623 CE2 PHE A 41 -8.645 -2.681 -1.298 1.00 75.00 C ATOM 624 CZ PHE A 41 -7.511 -2.497 -0.534 1.00 75.00 C ATOM 0 H PHE A 41 -9.441 -1.461 -5.137 1.00 50.00 H new ATOM 0 HA PHE A 41 -7.798 0.791 -5.642 1.00 50.00 H new ATOM 0 HB2 PHE A 41 -8.111 1.258 -3.381 1.00 50.00 H new ATOM 0 HB3 PHE A 41 -9.541 0.324 -3.771 1.00 50.00 H new ATOM 0 HD1 PHE A 41 -6.338 0.309 -1.979 1.00 75.00 H new ATOM 0 HD2 PHE A 41 -9.836 -1.941 -2.905 1.00 75.00 H new ATOM 0 HE1 PHE A 41 -5.793 -1.278 -0.184 1.00 75.00 H new ATOM 0 HE2 PHE A 41 -9.296 -3.521 -1.106 1.00 75.00 H new ATOM 0 HZ PHE A 41 -7.273 -3.194 0.256 1.00 75.00 H new ATOM 634 N ILE A 42 -6.315 -1.945 -4.664 1.00 50.00 N ATOM 635 CA ILE A 42 -5.013 -2.602 -4.648 1.00 50.00 C ATOM 636 C ILE A 42 -4.324 -2.492 -6.002 1.00 10.00 C ATOM 637 O ILE A 42 -3.110 -2.304 -6.078 1.00 50.00 O ATOM 638 CB ILE A 42 -5.134 -4.088 -4.263 1.00 50.00 C ATOM 639 CG1 ILE A 42 -5.476 -4.228 -2.778 1.00 50.00 C ATOM 640 CG2 ILE A 42 -3.846 -4.827 -4.590 1.00 50.00 C ATOM 641 CD1 ILE A 42 -4.378 -3.759 -1.852 1.00 50.00 C ATOM 0 H ILE A 42 -7.106 -2.576 -4.538 1.00 50.00 H new ATOM 0 HA ILE A 42 -4.412 -2.090 -3.896 1.00 50.00 H new ATOM 0 HB ILE A 42 -5.941 -4.534 -4.844 1.00 50.00 H new ATOM 0 HG12 ILE A 42 -6.382 -3.660 -2.568 1.00 50.00 H new ATOM 0 HG13 ILE A 42 -5.698 -5.273 -2.563 1.00 50.00 H new ATOM 0 HG21 ILE A 42 -3.948 -5.876 -4.312 1.00 50.00 H new ATOM 0 HG22 ILE A 42 -3.645 -4.753 -5.659 1.00 50.00 H new ATOM 0 HG23 ILE A 42 -3.020 -4.383 -4.034 1.00 50.00 H new ATOM 0 HD11 ILE A 42 -4.694 -3.890 -0.817 1.00 50.00 H new ATOM 0 HD12 ILE A 42 -3.476 -4.343 -2.032 1.00 50.00 H new ATOM 0 HD13 ILE A 42 -4.171 -2.705 -2.038 1.00 50.00 H new ATOM 653 N ASN A 43 -5.105 -2.609 -7.070 1.00 10.00 N ATOM 654 CA ASN A 43 -4.587 -2.449 -8.422 1.00 10.00 C ATOM 655 C ASN A 43 -4.067 -1.034 -8.650 1.00 10.00 C ATOM 656 O ASN A 43 -2.995 -0.841 -9.223 1.00 50.00 O ATOM 657 CB ASN A 43 -5.632 -2.797 -9.464 1.00 50.00 C ATOM 658 CG ASN A 43 -5.913 -4.270 -9.571 1.00 50.00 C ATOM 659 OD1 ASN A 43 -5.057 -5.110 -9.268 1.00 50.00 O ATOM 660 ND2 ASN A 43 -7.078 -4.587 -10.079 1.00 50.00 N ATOM 0 H ASN A 43 -6.103 -2.815 -7.024 1.00 10.00 H new ATOM 0 HA ASN A 43 -3.755 -3.145 -8.530 1.00 10.00 H new ATOM 0 HB2 ASN A 43 -6.559 -2.276 -9.224 1.00 50.00 H new ATOM 0 HB3 ASN A 43 -5.301 -2.428 -10.435 1.00 50.00 H new ATOM 0 HD21 ASN A 43 -7.314 -5.566 -10.242 1.00 50.00 H new ATOM 0 HD22 ASN A 43 -7.749 -3.855 -10.312 1.00 50.00 H new ATOM 667 N ASP A 44 -4.833 -0.049 -8.195 1.00 10.00 N ATOM 668 CA ASP A 44 -4.408 1.344 -8.258 1.00 10.00 C ATOM 669 C ASP A 44 -3.063 1.540 -7.569 1.00 10.00 C ATOM 670 O ASP A 44 -2.163 2.177 -8.114 1.00 50.00 O ATOM 671 CB ASP A 44 -5.462 2.256 -7.626 1.00 50.00 C ATOM 672 CG ASP A 44 -6.725 2.428 -8.457 1.00 50.00 C ATOM 673 OD1 ASP A 44 -6.713 2.052 -9.606 1.00 50.00 O ATOM 674 OD2 ASP A 44 -7.735 2.785 -7.899 1.00 50.00 O ATOM 0 H ASP A 44 -5.753 -0.190 -7.778 1.00 10.00 H new ATOM 0 HA ASP A 44 -4.295 1.611 -9.309 1.00 10.00 H new ATOM 0 HB2 ASP A 44 -5.736 1.853 -6.651 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -5.019 3.237 -7.453 1.00 50.00 H new ATOM 679 N ILE A 45 -2.935 0.989 -6.366 1.00 10.00 N ATOM 680 CA ILE A 45 -1.705 1.113 -5.595 1.00 10.00 C ATOM 681 C ILE A 45 -0.517 0.535 -6.355 1.00 10.00 C ATOM 682 O ILE A 45 0.547 1.152 -6.427 1.00 50.00 O ATOM 683 CB ILE A 45 -1.819 0.409 -4.231 1.00 50.00 C ATOM 684 CG1 ILE A 45 -2.878 1.094 -3.364 1.00 50.00 C ATOM 685 CG2 ILE A 45 -0.473 0.397 -3.524 1.00 50.00 C ATOM 686 CD1 ILE A 45 -3.297 0.287 -2.157 1.00 50.00 C ATOM 0 H ILE A 45 -3.669 0.452 -5.905 1.00 10.00 H new ATOM 0 HA ILE A 45 -1.544 2.179 -5.431 1.00 10.00 H new ATOM 0 HB ILE A 45 -2.127 -0.623 -4.398 1.00 50.00 H new ATOM 0 HG12 ILE A 45 -2.492 2.057 -3.029 1.00 50.00 H new ATOM 0 HG13 ILE A 45 -3.757 1.298 -3.975 1.00 50.00 H new ATOM 0 HG21 ILE A 45 -0.572 -0.105 -2.561 1.00 50.00 H new ATOM 0 HG22 ILE A 45 0.255 -0.134 -4.137 1.00 50.00 H new ATOM 0 HG23 ILE A 45 -0.136 1.421 -3.366 1.00 50.00 H new ATOM 0 HD11 ILE A 45 -4.049 0.839 -1.594 1.00 50.00 H new ATOM 0 HD12 ILE A 45 -3.715 -0.666 -2.483 1.00 50.00 H new ATOM 0 HD13 ILE A 45 -2.430 0.105 -1.522 1.00 50.00 H new ATOM 698 N LEU A 46 -0.704 -0.652 -6.922 1.00 10.00 N ATOM 699 CA LEU A 46 0.333 -1.290 -7.723 1.00 10.00 C ATOM 700 C LEU A 46 0.704 -0.431 -8.927 1.00 10.00 C ATOM 701 O LEU A 46 1.867 -0.376 -9.326 1.00 50.00 O ATOM 702 CB LEU A 46 -0.131 -2.678 -8.182 1.00 50.00 C ATOM 703 CG LEU A 46 -0.268 -3.722 -7.066 1.00 50.00 C ATOM 704 CD1 LEU A 46 -0.875 -5.003 -7.620 1.00 50.00 C ATOM 705 CD2 LEU A 46 1.097 -3.994 -6.452 1.00 50.00 C ATOM 0 H LEU A 46 -1.566 -1.192 -6.841 1.00 10.00 H new ATOM 0 HA LEU A 46 1.221 -1.401 -7.101 1.00 10.00 H new ATOM 0 HB2 LEU A 46 -1.094 -2.575 -8.682 1.00 50.00 H new ATOM 0 HB3 LEU A 46 0.574 -3.053 -8.924 1.00 50.00 H new ATOM 0 HG LEU A 46 -0.931 -3.338 -6.290 1.00 50.00 H new ATOM 0 HD11 LEU A 46 -0.968 -5.737 -6.820 1.00 50.00 H new ATOM 0 HD12 LEU A 46 -1.861 -4.790 -8.033 1.00 50.00 H new ATOM 0 HD13 LEU A 46 -0.231 -5.401 -8.405 1.00 50.00 H new ATOM 0 HD21 LEU A 46 0.998 -4.736 -5.659 1.00 50.00 H new ATOM 0 HD22 LEU A 46 1.773 -4.371 -7.220 1.00 50.00 H new ATOM 0 HD23 LEU A 46 1.500 -3.070 -6.036 1.00 50.00 H new ATOM 717 N LYS A 47 -0.291 0.234 -9.501 1.00 10.00 N ATOM 718 CA LYS A 47 -0.083 1.037 -10.700 1.00 10.00 C ATOM 719 C LYS A 47 0.672 2.321 -10.380 1.00 10.00 C ATOM 720 O LYS A 47 1.239 2.957 -11.269 1.00 50.00 O ATOM 721 CB LYS A 47 -1.421 1.367 -11.363 1.00 50.00 C ATOM 722 CG LYS A 47 -2.088 0.185 -12.056 1.00 50.00 C ATOM 723 CD LYS A 47 -3.456 0.564 -12.603 1.00 50.00 C ATOM 724 CE LYS A 47 -4.120 -0.612 -13.300 1.00 50.00 C ATOM 725 NZ LYS A 47 -5.447 -0.248 -13.866 1.00 50.00 N ATOM 0 H LYS A 47 -1.251 0.233 -9.155 1.00 10.00 H new ATOM 0 HA LYS A 47 0.520 0.450 -11.392 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -2.100 1.760 -10.607 1.00 50.00 H new ATOM 0 HB3 LYS A 47 -1.265 2.160 -12.094 1.00 50.00 H new ATOM 0 HG2 LYS A 47 -1.454 -0.167 -12.869 1.00 50.00 H new ATOM 0 HG3 LYS A 47 -2.192 -0.641 -11.352 1.00 50.00 H new ATOM 0 HD2 LYS A 47 -4.091 0.912 -11.789 1.00 50.00 H new ATOM 0 HD3 LYS A 47 -3.353 1.393 -13.303 1.00 50.00 H new ATOM 0 HE2 LYS A 47 -3.472 -0.973 -14.099 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -4.240 -1.432 -12.592 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -5.865 -1.078 -14.332 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -6.075 0.072 -13.101 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -5.330 0.517 -14.561 1.00 50.00 H new ATOM 739 N VAL A 48 0.677 2.696 -9.105 1.00 10.00 N ATOM 740 CA VAL A 48 1.500 3.804 -8.635 1.00 10.00 C ATOM 741 C VAL A 48 2.983 3.501 -8.812 1.00 10.00 C ATOM 742 O VAL A 48 3.498 2.530 -8.260 1.00 50.00 O ATOM 743 CB VAL A 48 1.226 4.123 -7.154 1.00 50.00 C ATOM 744 CG1 VAL A 48 2.190 5.189 -6.651 1.00 50.00 C ATOM 745 CG2 VAL A 48 -0.213 4.578 -6.965 1.00 50.00 C ATOM 0 H VAL A 48 0.119 2.248 -8.378 1.00 10.00 H new ATOM 0 HA VAL A 48 1.234 4.671 -9.239 1.00 10.00 H new ATOM 0 HB VAL A 48 1.381 3.215 -6.572 1.00 50.00 H new ATOM 0 HG11 VAL A 48 1.982 5.402 -5.602 1.00 50.00 H new ATOM 0 HG12 VAL A 48 3.214 4.830 -6.752 1.00 50.00 H new ATOM 0 HG13 VAL A 48 2.065 6.099 -7.238 1.00 50.00 H new ATOM 0 HG21 VAL A 48 -0.389 4.799 -5.912 1.00 50.00 H new ATOM 0 HG22 VAL A 48 -0.392 5.474 -7.559 1.00 50.00 H new ATOM 0 HG23 VAL A 48 -0.890 3.787 -7.288 1.00 50.00 H new ATOM 755 N GLU A 49 3.663 4.339 -9.588 1.00 10.00 N ATOM 756 CA GLU A 49 5.071 4.125 -9.896 1.00 10.00 C ATOM 757 C GLU A 49 5.909 4.054 -8.625 1.00 10.00 C ATOM 758 O GLU A 49 5.879 4.968 -7.800 1.00 50.00 O ATOM 759 CB GLU A 49 5.595 5.234 -10.811 1.00 50.00 C ATOM 760 CG GLU A 49 7.035 5.046 -11.267 1.00 50.00 C ATOM 761 CD GLU A 49 7.464 6.150 -12.193 1.00 50.00 C ATOM 762 OE1 GLU A 49 6.645 6.976 -12.521 1.00 50.00 O ATOM 763 OE2 GLU A 49 8.633 6.234 -12.485 1.00 50.00 O ATOM 0 H GLU A 49 3.260 5.173 -10.015 1.00 10.00 H new ATOM 0 HA GLU A 49 5.157 3.170 -10.414 1.00 10.00 H new ATOM 0 HB2 GLU A 49 4.954 5.296 -11.690 1.00 50.00 H new ATOM 0 HB3 GLU A 49 5.514 6.187 -10.289 1.00 50.00 H new ATOM 0 HG2 GLU A 49 7.693 5.021 -10.399 1.00 50.00 H new ATOM 0 HG3 GLU A 49 7.136 4.085 -11.772 1.00 50.00 H new ATOM 770 N GLY A 50 6.655 2.966 -8.474 1.00 10.00 N ATOM 771 CA GLY A 50 7.591 2.828 -7.364 1.00 10.00 C ATOM 772 C GLY A 50 7.158 1.720 -6.413 1.00 10.00 C ATOM 773 O GLY A 50 7.967 1.189 -5.653 1.00 50.00 O ATOM 0 H GLY A 50 6.630 2.166 -9.106 1.00 10.00 H new ATOM 0 HA2 GLY A 50 8.587 2.611 -7.750 1.00 10.00 H new ATOM 0 HA3 GLY A 50 7.658 3.771 -6.822 1.00 10.00 H new ATOM 777 N VAL A 51 5.876 1.373 -6.462 1.00 10.00 N ATOM 778 CA VAL A 51 5.331 0.331 -5.600 1.00 10.00 C ATOM 779 C VAL A 51 5.747 -1.053 -6.082 1.00 10.00 C ATOM 780 O VAL A 51 5.526 -1.411 -7.239 1.00 50.00 O ATOM 781 CB VAL A 51 3.793 0.399 -5.534 1.00 50.00 C ATOM 782 CG1 VAL A 51 3.243 -0.765 -4.724 1.00 50.00 C ATOM 783 CG2 VAL A 51 3.345 1.723 -4.933 1.00 50.00 C ATOM 0 H VAL A 51 5.195 1.799 -7.090 1.00 10.00 H new ATOM 0 HA VAL A 51 5.736 0.504 -4.603 1.00 10.00 H new ATOM 0 HB VAL A 51 3.401 0.329 -6.549 1.00 50.00 H new ATOM 0 HG11 VAL A 51 2.155 -0.701 -4.688 1.00 50.00 H new ATOM 0 HG12 VAL A 51 3.536 -1.705 -5.192 1.00 50.00 H new ATOM 0 HG13 VAL A 51 3.643 -0.724 -3.711 1.00 50.00 H new ATOM 0 HG21 VAL A 51 2.256 1.755 -4.894 1.00 50.00 H new ATOM 0 HG22 VAL A 51 3.748 1.820 -3.925 1.00 50.00 H new ATOM 0 HG23 VAL A 51 3.710 2.544 -5.550 1.00 50.00 H new ATOM 793 N LYS A 52 6.350 -1.828 -5.186 1.00 10.00 N ATOM 794 CA LYS A 52 6.859 -3.149 -5.536 1.00 10.00 C ATOM 795 C LYS A 52 5.845 -4.235 -5.203 1.00 10.00 C ATOM 796 O LYS A 52 5.411 -4.983 -6.080 1.00 50.00 O ATOM 797 CB LYS A 52 8.179 -3.423 -4.814 1.00 50.00 C ATOM 798 CG LYS A 52 8.798 -4.779 -5.127 1.00 50.00 C ATOM 799 CD LYS A 52 10.105 -4.977 -4.373 1.00 50.00 C ATOM 800 CE LYS A 52 10.734 -6.324 -4.699 1.00 50.00 C ATOM 801 NZ LYS A 52 12.035 -6.513 -4.004 1.00 50.00 N ATOM 0 H LYS A 52 6.498 -1.564 -4.212 1.00 10.00 H new ATOM 0 HA LYS A 52 7.034 -3.165 -6.612 1.00 10.00 H new ATOM 0 HB2 LYS A 52 8.892 -2.642 -5.078 1.00 50.00 H new ATOM 0 HB3 LYS A 52 8.012 -3.353 -3.739 1.00 50.00 H new ATOM 0 HG2 LYS A 52 8.098 -5.571 -4.860 1.00 50.00 H new ATOM 0 HG3 LYS A 52 8.978 -4.860 -6.199 1.00 50.00 H new ATOM 0 HD2 LYS A 52 10.800 -4.177 -4.630 1.00 50.00 H new ATOM 0 HD3 LYS A 52 9.922 -4.909 -3.301 1.00 50.00 H new ATOM 0 HE2 LYS A 52 10.050 -7.123 -4.412 1.00 50.00 H new ATOM 0 HE3 LYS A 52 10.883 -6.404 -5.776 1.00 50.00 H new ATOM 0 HZ1 LYS A 52 12.430 -7.442 -4.253 1.00 50.00 H new ATOM 0 HZ2 LYS A 52 12.697 -5.766 -4.297 1.00 50.00 H new ATOM 0 HZ3 LYS A 52 11.890 -6.463 -2.975 1.00 50.00 H new ATOM 815 N SER A 53 5.470 -4.320 -3.932 1.00 10.00 N ATOM 816 CA SER A 53 4.602 -5.390 -3.457 1.00 10.00 C ATOM 817 C SER A 53 3.659 -4.893 -2.369 1.00 10.00 C ATOM 818 O SER A 53 3.941 -3.903 -1.693 1.00 50.00 O ATOM 819 CB SER A 53 5.434 -6.550 -2.947 1.00 50.00 C ATOM 820 OG SER A 53 6.168 -6.208 -1.803 1.00 50.00 O ATOM 0 H SER A 53 5.755 -3.658 -3.210 1.00 10.00 H new ATOM 0 HA SER A 53 3.995 -5.731 -4.295 1.00 10.00 H new ATOM 0 HB2 SER A 53 4.781 -7.392 -2.720 1.00 50.00 H new ATOM 0 HB3 SER A 53 6.117 -6.878 -3.731 1.00 50.00 H new ATOM 0 HG SER A 53 6.689 -6.983 -1.505 1.00 50.00 H new ATOM 826 N ILE A 54 2.537 -5.585 -2.201 1.00 10.00 N ATOM 827 CA ILE A 54 1.560 -5.228 -1.182 1.00 10.00 C ATOM 828 C ILE A 54 1.220 -6.423 -0.301 1.00 10.00 C ATOM 829 O ILE A 54 1.025 -7.535 -0.795 1.00 50.00 O ATOM 830 CB ILE A 54 0.265 -4.678 -1.809 1.00 50.00 C ATOM 831 CG1 ILE A 54 0.571 -3.454 -2.677 1.00 50.00 C ATOM 832 CG2 ILE A 54 -0.742 -4.328 -0.725 1.00 50.00 C ATOM 833 CD1 ILE A 54 -0.592 -3.012 -3.535 1.00 50.00 C ATOM 0 H ILE A 54 2.282 -6.399 -2.760 1.00 10.00 H new ATOM 0 HA ILE A 54 2.015 -4.449 -0.570 1.00 10.00 H new ATOM 0 HB ILE A 54 -0.169 -5.450 -2.444 1.00 50.00 H new ATOM 0 HG12 ILE A 54 0.870 -2.628 -2.032 1.00 50.00 H new ATOM 0 HG13 ILE A 54 1.421 -3.679 -3.321 1.00 50.00 H new ATOM 0 HG21 ILE A 54 -1.651 -3.941 -1.185 1.00 50.00 H new ATOM 0 HG22 ILE A 54 -0.979 -5.221 -0.147 1.00 50.00 H new ATOM 0 HG23 ILE A 54 -0.318 -3.571 -0.065 1.00 50.00 H new ATOM 0 HD11 ILE A 54 -0.301 -2.141 -4.122 1.00 50.00 H new ATOM 0 HD12 ILE A 54 -0.878 -3.822 -4.206 1.00 50.00 H new ATOM 0 HD13 ILE A 54 -1.437 -2.754 -2.897 1.00 50.00 H new ATOM 845 N PHE A 55 1.150 -6.188 1.005 1.00 10.00 N ATOM 846 CA PHE A 55 0.586 -7.164 1.928 1.00 10.00 C ATOM 847 C PHE A 55 -0.596 -6.583 2.692 1.00 10.00 C ATOM 848 O PHE A 55 -0.466 -5.570 3.379 1.00 50.00 O ATOM 849 CB PHE A 55 1.656 -7.652 2.908 1.00 50.00 C ATOM 850 CG PHE A 55 1.149 -8.649 3.911 1.00 50.00 C ATOM 851 CD1 PHE A 55 0.759 -9.918 3.512 1.00 50.00 C ATOM 852 CD2 PHE A 55 1.062 -8.319 5.255 1.00 50.00 C ATOM 853 CE1 PHE A 55 0.292 -10.836 4.435 1.00 50.00 C ATOM 854 CE2 PHE A 55 0.596 -9.235 6.179 1.00 50.00 C ATOM 855 CZ PHE A 55 0.212 -10.496 5.767 1.00 50.00 C ATOM 0 H PHE A 55 1.477 -5.329 1.448 1.00 10.00 H new ATOM 0 HA PHE A 55 0.228 -8.010 1.341 1.00 10.00 H new ATOM 0 HB2 PHE A 55 2.474 -8.101 2.345 1.00 50.00 H new ATOM 0 HB3 PHE A 55 2.068 -6.794 3.439 1.00 50.00 H new ATOM 0 HD1 PHE A 55 0.820 -10.193 2.469 1.00 50.00 H new ATOM 0 HD2 PHE A 55 1.362 -7.335 5.583 1.00 50.00 H new ATOM 0 HE1 PHE A 55 -0.010 -11.821 4.111 1.00 50.00 H new ATOM 0 HE2 PHE A 55 0.532 -8.965 7.223 1.00 50.00 H new ATOM 0 HZ PHE A 55 -0.150 -11.214 6.488 1.00 50.00 H new ATOM 865 N HIS A 56 -1.751 -7.227 2.565 1.00 10.00 N ATOM 866 CA HIS A 56 -2.991 -6.693 3.114 1.00 10.00 C ATOM 867 C HIS A 56 -3.538 -7.592 4.215 1.00 10.00 C ATOM 868 O HIS A 56 -3.932 -8.730 3.964 1.00 50.00 O ATOM 869 CB HIS A 56 -4.041 -6.520 2.011 1.00 50.00 C ATOM 870 CG HIS A 56 -5.290 -5.834 2.470 1.00 50.00 C ATOM 871 ND1 HIS A 56 -6.298 -5.468 1.605 1.00 50.00 N ATOM 872 CD2 HIS A 56 -5.692 -5.448 3.704 1.00 50.00 C ATOM 873 CE1 HIS A 56 -7.268 -4.884 2.288 1.00 50.00 C ATOM 874 NE2 HIS A 56 -6.925 -4.861 3.563 1.00 50.00 N ATOM 0 H HIS A 56 -1.854 -8.121 2.086 1.00 10.00 H new ATOM 0 HA HIS A 56 -2.767 -5.717 3.546 1.00 10.00 H new ATOM 0 HB2 HIS A 56 -3.604 -5.949 1.192 1.00 50.00 H new ATOM 0 HB3 HIS A 56 -4.301 -7.501 1.613 1.00 50.00 H new ATOM 0 HD2 HIS A 56 -5.145 -5.578 4.626 1.00 50.00 H new ATOM 0 HE1 HIS A 56 -8.185 -4.492 1.873 1.00 50.00 H new ATOM 0 HE2 HIS A 56 -7.485 -4.470 4.320 1.00 50.00 H new ATOM 882 N VAL A 57 -3.559 -7.072 5.438 1.00 10.00 N ATOM 883 CA VAL A 57 -3.991 -7.850 6.594 1.00 10.00 C ATOM 884 C VAL A 57 -4.801 -6.996 7.560 1.00 10.00 C ATOM 885 O VAL A 57 -4.462 -5.842 7.820 1.00 50.00 O ATOM 886 CB VAL A 57 -2.792 -8.460 7.344 1.00 50.00 C ATOM 887 CG1 VAL A 57 -1.859 -7.364 7.838 1.00 50.00 C ATOM 888 CG2 VAL A 57 -3.271 -9.314 8.508 1.00 50.00 C ATOM 0 H VAL A 57 -3.282 -6.115 5.654 1.00 10.00 H new ATOM 0 HA VAL A 57 -4.618 -8.657 6.214 1.00 10.00 H new ATOM 0 HB VAL A 57 -2.241 -9.097 6.652 1.00 50.00 H new ATOM 0 HG11 VAL A 57 -1.017 -7.813 8.366 1.00 50.00 H new ATOM 0 HG12 VAL A 57 -1.490 -6.790 6.988 1.00 50.00 H new ATOM 0 HG13 VAL A 57 -2.400 -6.703 8.515 1.00 50.00 H new ATOM 0 HG21 VAL A 57 -2.411 -9.737 9.027 1.00 50.00 H new ATOM 0 HG22 VAL A 57 -3.845 -8.697 9.200 1.00 50.00 H new ATOM 0 HG23 VAL A 57 -3.901 -10.120 8.133 1.00 50.00 H new ATOM 898 N MET A 58 -5.874 -7.571 8.094 1.00 10.00 N ATOM 899 CA MET A 58 -6.734 -6.866 9.036 1.00 10.00 C ATOM 900 C MET A 58 -7.422 -5.679 8.373 1.00 10.00 C ATOM 901 O MET A 58 -8.136 -5.837 7.384 1.00 50.00 O ATOM 902 CB MET A 58 -5.922 -6.400 10.243 1.00 50.00 C ATOM 903 CG MET A 58 -6.756 -6.065 11.471 1.00 50.00 C ATOM 904 SD MET A 58 -5.759 -5.452 12.843 1.00 75.00 S ATOM 905 CE MET A 58 -4.851 -6.928 13.288 1.00 75.00 C ATOM 0 H MET A 58 -6.169 -8.526 7.889 1.00 10.00 H new ATOM 0 HA MET A 58 -7.506 -7.558 9.372 1.00 10.00 H new ATOM 0 HB2 MET A 58 -5.206 -7.179 10.506 1.00 50.00 H new ATOM 0 HB3 MET A 58 -5.345 -5.520 9.959 1.00 50.00 H new ATOM 0 HG2 MET A 58 -7.501 -5.315 11.205 1.00 50.00 H new ATOM 0 HG3 MET A 58 -7.299 -6.955 11.791 1.00 50.00 H new ATOM 0 HE1 MET A 58 -4.398 -6.794 14.270 1.00 75.00 H new ATOM 0 HE2 MET A 58 -5.531 -7.779 13.315 1.00 75.00 H new ATOM 0 HE3 MET A 58 -4.070 -7.111 12.550 1.00 75.00 H new ATOM 915 N ASP A 59 -7.200 -4.491 8.924 1.00 10.00 N ATOM 916 CA ASP A 59 -7.705 -3.262 8.323 1.00 10.00 C ATOM 917 C ASP A 59 -6.586 -2.251 8.111 1.00 10.00 C ATOM 918 O ASP A 59 -6.768 -1.053 8.329 1.00 50.00 O ATOM 919 CB ASP A 59 -8.806 -2.652 9.193 1.00 50.00 C ATOM 920 CG ASP A 59 -8.364 -2.292 10.606 1.00 50.00 C ATOM 921 OD1 ASP A 59 -7.229 -2.546 10.936 1.00 75.00 O ATOM 922 OD2 ASP A 59 -9.108 -1.629 11.289 1.00 50.00 O ATOM 0 H ASP A 59 -6.673 -4.353 9.786 1.00 10.00 H new ATOM 0 HA ASP A 59 -8.123 -3.516 7.349 1.00 10.00 H new ATOM 0 HB2 ASP A 59 -9.184 -1.754 8.704 1.00 50.00 H new ATOM 0 HB3 ASP A 59 -9.636 -3.355 9.253 1.00 50.00 H new ATOM 927 N PHE A 60 -5.425 -2.741 7.688 1.00 10.00 N ATOM 928 CA PHE A 60 -4.310 -1.871 7.331 1.00 10.00 C ATOM 929 C PHE A 60 -3.469 -2.481 6.219 1.00 10.00 C ATOM 930 O PHE A 60 -3.517 -3.688 5.981 1.00 50.00 O ATOM 931 CB PHE A 60 -3.438 -1.592 8.557 1.00 50.00 C ATOM 932 CG PHE A 60 -2.725 -2.806 9.082 1.00 50.00 C ATOM 933 CD1 PHE A 60 -1.472 -3.155 8.601 1.00 50.00 C ATOM 934 CD2 PHE A 60 -3.305 -3.601 10.060 1.00 50.00 C ATOM 935 CE1 PHE A 60 -0.815 -4.272 9.082 1.00 50.00 C ATOM 936 CE2 PHE A 60 -2.651 -4.716 10.544 1.00 50.00 C ATOM 937 CZ PHE A 60 -1.404 -5.052 10.054 1.00 50.00 C ATOM 0 H PHE A 60 -5.232 -3.737 7.584 1.00 10.00 H new ATOM 0 HA PHE A 60 -4.723 -0.930 6.967 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -2.701 -0.831 8.301 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -4.062 -1.178 9.349 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -1.004 -2.547 7.841 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -4.280 -3.344 10.447 1.00 50.00 H new ATOM 0 HE1 PHE A 60 0.159 -4.533 8.696 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -3.114 -5.326 11.306 1.00 50.00 H new ATOM 0 HZ PHE A 60 -0.891 -5.924 10.432 1.00 50.00 H new ATOM 947 N ILE A 61 -2.699 -1.639 5.536 1.00 10.00 N ATOM 948 CA ILE A 61 -1.924 -2.075 4.381 1.00 10.00 C ATOM 949 C ILE A 61 -0.428 -1.971 4.651 1.00 10.00 C ATOM 950 O ILE A 61 0.044 -0.985 5.214 1.00 50.00 O ATOM 951 CB ILE A 61 -2.268 -1.251 3.127 1.00 50.00 C ATOM 952 CG1 ILE A 61 -3.779 -1.253 2.884 1.00 50.00 C ATOM 953 CG2 ILE A 61 -1.530 -1.796 1.913 1.00 50.00 C ATOM 954 CD1 ILE A 61 -4.347 -2.620 2.577 1.00 50.00 C ATOM 0 H ILE A 61 -2.596 -0.650 5.763 1.00 10.00 H new ATOM 0 HA ILE A 61 -2.186 -3.118 4.202 1.00 10.00 H new ATOM 0 HB ILE A 61 -1.947 -0.222 3.290 1.00 50.00 H new ATOM 0 HG12 ILE A 61 -4.280 -0.852 3.765 1.00 50.00 H new ATOM 0 HG13 ILE A 61 -4.005 -0.582 2.056 1.00 50.00 H new ATOM 0 HG21 ILE A 61 -1.785 -1.202 1.035 1.00 50.00 H new ATOM 0 HG22 ILE A 61 -0.455 -1.744 2.087 1.00 50.00 H new ATOM 0 HG23 ILE A 61 -1.821 -2.833 1.746 1.00 50.00 H new ATOM 0 HD11 ILE A 61 -5.422 -2.540 2.417 1.00 50.00 H new ATOM 0 HD12 ILE A 61 -3.875 -3.017 1.678 1.00 50.00 H new ATOM 0 HD13 ILE A 61 -4.154 -3.291 3.414 1.00 50.00 H new ATOM 966 N SER A 62 0.312 -2.997 4.245 1.00 10.00 N ATOM 967 CA SER A 62 1.769 -2.922 4.208 1.00 10.00 C ATOM 968 C SER A 62 2.274 -2.718 2.785 1.00 10.00 C ATOM 969 O SER A 62 2.233 -3.634 1.965 1.00 50.00 O ATOM 970 CB SER A 62 2.370 -4.177 4.807 1.00 50.00 C ATOM 971 OG SER A 62 3.770 -4.174 4.739 1.00 50.00 O ATOM 0 H SER A 62 -0.072 -3.890 3.937 1.00 10.00 H new ATOM 0 HA SER A 62 2.081 -2.061 4.800 1.00 10.00 H new ATOM 0 HB2 SER A 62 2.058 -4.267 5.847 1.00 50.00 H new ATOM 0 HB3 SER A 62 1.984 -5.050 4.281 1.00 50.00 H new ATOM 0 HG SER A 62 4.119 -4.999 5.137 1.00 50.00 H new ATOM 977 N VAL A 63 2.748 -1.511 2.498 1.00 10.00 N ATOM 978 CA VAL A 63 3.167 -1.153 1.149 1.00 10.00 C ATOM 979 C VAL A 63 4.686 -1.118 1.036 1.00 10.00 C ATOM 980 O VAL A 63 5.350 -0.326 1.707 1.00 50.00 O ATOM 981 CB VAL A 63 2.598 0.213 0.724 1.00 50.00 C ATOM 982 CG1 VAL A 63 3.070 0.574 -0.676 1.00 50.00 C ATOM 983 CG2 VAL A 63 1.080 0.202 0.787 1.00 50.00 C ATOM 0 H VAL A 63 2.852 -0.763 3.183 1.00 10.00 H new ATOM 0 HA VAL A 63 2.774 -1.922 0.483 1.00 10.00 H new ATOM 0 HB VAL A 63 2.965 0.969 1.418 1.00 50.00 H new ATOM 0 HG11 VAL A 63 2.658 1.542 -0.960 1.00 50.00 H new ATOM 0 HG12 VAL A 63 4.159 0.624 -0.691 1.00 50.00 H new ATOM 0 HG13 VAL A 63 2.732 -0.185 -1.381 1.00 50.00 H new ATOM 0 HG21 VAL A 63 0.696 1.176 0.483 1.00 50.00 H new ATOM 0 HG22 VAL A 63 0.694 -0.566 0.117 1.00 50.00 H new ATOM 0 HG23 VAL A 63 0.760 -0.012 1.807 1.00 50.00 H new ATOM 993 N ASP A 64 5.231 -1.978 0.183 1.00 10.00 N ATOM 994 CA ASP A 64 6.674 -2.059 -0.005 1.00 10.00 C ATOM 995 C ASP A 64 7.079 -1.545 -1.381 1.00 10.00 C ATOM 996 O ASP A 64 6.597 -2.032 -2.404 1.00 50.00 O ATOM 997 CB ASP A 64 7.158 -3.500 0.181 1.00 50.00 C ATOM 998 CG ASP A 64 8.669 -3.674 0.077 1.00 50.00 C ATOM 999 OD1 ASP A 64 9.341 -2.705 -0.187 1.00 50.00 O ATOM 1000 OD2 ASP A 64 9.149 -4.729 0.413 1.00 50.00 O ATOM 0 H ASP A 64 4.694 -2.629 -0.390 1.00 10.00 H new ATOM 0 HA ASP A 64 7.145 -1.427 0.748 1.00 10.00 H new ATOM 0 HB2 ASP A 64 6.829 -3.858 1.157 1.00 50.00 H new ATOM 0 HB3 ASP A 64 6.679 -4.131 -0.568 1.00 50.00 H new ATOM 1005 N LYS A 65 7.969 -0.558 -1.399 1.00 10.00 N ATOM 1006 CA LYS A 65 8.382 0.077 -2.644 1.00 10.00 C ATOM 1007 C LYS A 65 9.689 -0.512 -3.158 1.00 10.00 C ATOM 1008 O LYS A 65 10.262 -1.409 -2.537 1.00 50.00 O ATOM 1009 CB LYS A 65 8.525 1.587 -2.452 1.00 50.00 C ATOM 1010 CG LYS A 65 9.663 1.998 -1.526 1.00 50.00 C ATOM 1011 CD LYS A 65 9.912 3.497 -1.587 1.00 50.00 C ATOM 1012 CE LYS A 65 11.015 3.916 -0.626 1.00 50.00 C ATOM 1013 NZ LYS A 65 12.348 3.415 -1.058 1.00 50.00 N ATOM 0 H LYS A 65 8.418 -0.181 -0.564 1.00 10.00 H new ATOM 0 HA LYS A 65 7.608 -0.114 -3.388 1.00 10.00 H new ATOM 0 HB2 LYS A 65 8.679 2.052 -3.426 1.00 50.00 H new ATOM 0 HB3 LYS A 65 7.589 1.981 -2.055 1.00 50.00 H new ATOM 0 HG2 LYS A 65 9.424 1.708 -0.503 1.00 50.00 H new ATOM 0 HG3 LYS A 65 10.572 1.465 -1.805 1.00 50.00 H new ATOM 0 HD2 LYS A 65 10.185 3.781 -2.603 1.00 50.00 H new ATOM 0 HD3 LYS A 65 8.993 4.030 -1.343 1.00 50.00 H new ATOM 0 HE2 LYS A 65 11.041 5.003 -0.556 1.00 50.00 H new ATOM 0 HE3 LYS A 65 10.791 3.537 0.371 1.00 50.00 H new ATOM 0 HZ1 LYS A 65 13.072 3.722 -0.377 1.00 50.00 H new ATOM 0 HZ2 LYS A 65 12.331 2.376 -1.101 1.00 50.00 H new ATOM 0 HZ3 LYS A 65 12.574 3.797 -1.999 1.00 50.00 H new ATOM 1027 N GLU A 66 10.157 -0.004 -4.292 1.00 10.00 N ATOM 1028 CA GLU A 66 11.461 -0.386 -4.823 1.00 10.00 C ATOM 1029 C GLU A 66 12.583 0.371 -4.128 1.00 10.00 C ATOM 1030 O GLU A 66 12.360 1.431 -3.542 1.00 50.00 O ATOM 1031 CB GLU A 66 11.516 -0.140 -6.333 1.00 50.00 C ATOM 1032 CG GLU A 66 10.630 -1.065 -7.154 1.00 50.00 C ATOM 1033 CD GLU A 66 11.212 -2.449 -7.235 1.00 50.00 C ATOM 1034 OE1 GLU A 66 12.328 -2.630 -6.809 1.00 50.00 O ATOM 1035 OE2 GLU A 66 10.501 -3.349 -7.618 1.00 50.00 O ATOM 0 H GLU A 66 9.652 0.674 -4.863 1.00 10.00 H new ATOM 0 HA GLU A 66 11.600 -1.450 -4.632 1.00 10.00 H new ATOM 0 HB2 GLU A 66 11.226 0.892 -6.531 1.00 50.00 H new ATOM 0 HB3 GLU A 66 12.547 -0.251 -6.669 1.00 50.00 H new ATOM 0 HG2 GLU A 66 9.637 -1.111 -6.708 1.00 50.00 H new ATOM 0 HG3 GLU A 66 10.509 -0.660 -8.159 1.00 50.00 H new ATOM 1042 N ASN A 67 13.791 -0.177 -4.195 1.00 10.00 N ATOM 1043 CA ASN A 67 14.955 0.455 -3.588 1.00 10.00 C ATOM 1044 C ASN A 67 15.261 1.795 -4.248 1.00 10.00 C ATOM 1045 O ASN A 67 15.616 2.762 -3.576 1.00 50.00 O ATOM 1046 CB ASN A 67 16.173 -0.447 -3.647 1.00 50.00 C ATOM 1047 CG ASN A 67 16.112 -1.608 -2.692 1.00 50.00 C ATOM 1048 OD1 ASN A 67 15.371 -1.586 -1.703 1.00 50.00 O ATOM 1049 ND2 ASN A 67 16.945 -2.586 -2.938 1.00 50.00 N ATOM 0 H ASN A 67 13.989 -1.060 -4.665 1.00 10.00 H new ATOM 0 HA ASN A 67 14.713 0.632 -2.540 1.00 10.00 H new ATOM 0 HB2 ASN A 67 16.283 -0.828 -4.662 1.00 50.00 H new ATOM 0 HB3 ASN A 67 17.063 0.144 -3.430 1.00 50.00 H new ATOM 0 HD21 ASN A 67 17.004 -3.379 -2.299 1.00 50.00 H new ATOM 0 HD22 ASN A 67 17.535 -2.556 -3.769 1.00 50.00 H new ATOM 1056 N ASP A 68 15.121 1.843 -5.569 1.00 10.00 N ATOM 1057 CA ASP A 68 15.335 3.075 -6.316 1.00 10.00 C ATOM 1058 C ASP A 68 14.231 4.087 -6.038 1.00 10.00 C ATOM 1059 O ASP A 68 14.493 5.282 -5.898 1.00 50.00 O ATOM 1060 CB ASP A 68 15.416 2.785 -7.817 1.00 50.00 C ATOM 1061 CG ASP A 68 16.701 2.096 -8.256 1.00 50.00 C ATOM 1062 OD1 ASP A 68 17.626 2.055 -7.478 1.00 50.00 O ATOM 1063 OD2 ASP A 68 16.698 1.484 -9.297 1.00 50.00 O ATOM 0 H ASP A 68 14.860 1.042 -6.144 1.00 10.00 H new ATOM 0 HA ASP A 68 16.281 3.504 -5.986 1.00 10.00 H new ATOM 0 HB2 ASP A 68 14.568 2.161 -8.100 1.00 50.00 H new ATOM 0 HB3 ASP A 68 15.317 3.724 -8.362 1.00 50.00 H new ATOM 1068 N ALA A 69 12.997 3.603 -5.959 1.00 10.00 N ATOM 1069 CA ALA A 69 11.849 4.467 -5.715 1.00 10.00 C ATOM 1070 C ALA A 69 11.994 5.215 -4.396 1.00 10.00 C ATOM 1071 O ALA A 69 12.743 4.797 -3.512 1.00 50.00 O ATOM 1072 CB ALA A 69 10.562 3.654 -5.727 1.00 50.00 C ATOM 0 H ALA A 69 12.766 2.615 -6.061 1.00 10.00 H new ATOM 0 HA ALA A 69 11.805 5.205 -6.516 1.00 10.00 H new ATOM 0 HB1 ALA A 69 9.714 4.313 -5.543 1.00 50.00 H new ATOM 0 HB2 ALA A 69 10.444 3.173 -6.698 1.00 50.00 H new ATOM 0 HB3 ALA A 69 10.605 2.893 -4.948 1.00 50.00 H new ATOM 1078 N ASN A 70 11.272 6.323 -4.267 1.00 10.00 N ATOM 1079 CA ASN A 70 11.258 7.090 -3.025 1.00 10.00 C ATOM 1080 C ASN A 70 9.839 7.265 -2.504 1.00 10.00 C ATOM 1081 O ASN A 70 8.880 7.287 -3.277 1.00 50.00 O ATOM 1082 CB ASN A 70 11.925 8.442 -3.200 1.00 50.00 C ATOM 1083 CG ASN A 70 13.383 8.356 -3.559 1.00 50.00 C ATOM 1084 OD1 ASN A 70 14.223 7.968 -2.740 1.00 50.00 O ATOM 1085 ND2 ASN A 70 13.696 8.793 -4.753 1.00 50.00 N ATOM 0 H ASN A 70 10.688 6.711 -5.008 1.00 10.00 H new ATOM 0 HA ASN A 70 11.828 6.523 -2.289 1.00 10.00 H new ATOM 0 HB2 ASN A 70 11.401 8.998 -3.978 1.00 50.00 H new ATOM 0 HB3 ASN A 70 11.821 9.011 -2.276 1.00 50.00 H new ATOM 0 HD21 ASN A 70 14.673 8.824 -5.045 1.00 50.00 H new ATOM 0 HD22 ASN A 70 12.963 9.102 -5.391 1.00 50.00 H new ATOM 1092 N TRP A 71 9.709 7.392 -1.187 1.00 10.00 N ATOM 1093 CA TRP A 71 8.407 7.588 -0.561 1.00 10.00 C ATOM 1094 C TRP A 71 7.850 8.973 -0.868 1.00 10.00 C ATOM 1095 O TRP A 71 6.640 9.193 -0.810 1.00 50.00 O ATOM 1096 CB TRP A 71 8.506 7.386 0.951 1.00 50.00 C ATOM 1097 CG TRP A 71 8.560 5.945 1.359 1.00 50.00 C ATOM 1098 CD1 TRP A 71 9.533 5.343 2.100 1.00 50.00 C ATOM 1099 CD2 TRP A 71 7.600 4.926 1.053 1.00 50.00 C ATOM 1100 NE1 TRP A 71 9.243 4.013 2.272 1.00 50.00 N ATOM 1101 CE2 TRP A 71 8.058 3.733 1.639 1.00 50.00 C ATOM 1102 CE3 TRP A 71 6.395 4.910 0.340 1.00 50.00 C ATOM 1103 CZ2 TRP A 71 7.361 2.540 1.535 1.00 50.00 C ATOM 1104 CZ3 TRP A 71 5.697 3.713 0.236 1.00 50.00 C ATOM 1105 CH2 TRP A 71 6.165 2.561 0.816 1.00 50.00 C ATOM 0 H TRP A 71 10.491 7.363 -0.532 1.00 10.00 H new ATOM 0 HA TRP A 71 7.723 6.847 -0.975 1.00 10.00 H new ATOM 0 HB2 TRP A 71 9.397 7.894 1.320 1.00 50.00 H new ATOM 0 HB3 TRP A 71 7.649 7.859 1.430 1.00 50.00 H new ATOM 0 HD1 TRP A 71 10.406 5.841 2.495 1.00 50.00 H new ATOM 0 HE1 TRP A 71 9.814 3.342 2.786 1.00 50.00 H new ATOM 0 HE3 TRP A 71 6.016 5.810 -0.120 1.00 50.00 H new ATOM 0 HZ2 TRP A 71 7.728 1.632 1.991 1.00 50.00 H new ATOM 0 HZ3 TRP A 71 4.767 3.689 -0.313 1.00 50.00 H new ATOM 0 HH2 TRP A 71 5.595 1.650 0.714 1.00 50.00 H new ATOM 1116 N GLU A 72 8.740 9.904 -1.193 1.00 10.00 N ATOM 1117 CA GLU A 72 8.334 11.250 -1.582 1.00 10.00 C ATOM 1118 C GLU A 72 7.315 11.211 -2.713 1.00 10.00 C ATOM 1119 O GLU A 72 6.345 11.971 -2.714 1.00 50.00 O ATOM 1120 CB GLU A 72 9.552 12.076 -2.000 1.00 50.00 C ATOM 1121 CG GLU A 72 9.233 13.514 -2.384 1.00 50.00 C ATOM 1122 CD GLU A 72 10.483 14.277 -2.727 1.00 50.00 C ATOM 1123 OE1 GLU A 72 11.546 13.711 -2.641 1.00 50.00 O ATOM 1124 OE2 GLU A 72 10.368 15.390 -3.185 1.00 75.00 O ATOM 0 H GLU A 72 9.749 9.751 -1.195 1.00 10.00 H new ATOM 0 HA GLU A 72 7.866 11.721 -0.718 1.00 10.00 H new ATOM 0 HB2 GLU A 72 10.271 12.082 -1.180 1.00 50.00 H new ATOM 0 HB3 GLU A 72 10.036 11.586 -2.845 1.00 50.00 H new ATOM 0 HG2 GLU A 72 8.553 13.523 -3.236 1.00 50.00 H new ATOM 0 HG3 GLU A 72 8.718 14.007 -1.560 1.00 50.00 H new ATOM 1131 N THR A 73 7.538 10.323 -3.675 1.00 10.00 N ATOM 1132 CA THR A 73 6.601 10.134 -4.777 1.00 10.00 C ATOM 1133 C THR A 73 5.522 9.121 -4.415 1.00 10.00 C ATOM 1134 O THR A 73 4.331 9.388 -4.570 1.00 50.00 O ATOM 1135 CB THR A 73 7.320 9.668 -6.056 1.00 50.00 C ATOM 1136 OG1 THR A 73 8.264 10.666 -6.468 1.00 50.00 O ATOM 1137 CG2 THR A 73 6.317 9.431 -7.174 1.00 50.00 C ATOM 0 H THR A 73 8.361 9.721 -3.714 1.00 10.00 H new ATOM 0 HA THR A 73 6.137 11.102 -4.964 1.00 10.00 H new ATOM 0 HB THR A 73 7.839 8.734 -5.843 1.00 50.00 H new ATOM 0 HG1 THR A 73 8.722 10.367 -7.281 1.00 50.00 H new ATOM 0 HG21 THR A 73 6.842 9.102 -8.071 1.00 50.00 H new ATOM 0 HG22 THR A 73 5.606 8.664 -6.868 1.00 50.00 H new ATOM 0 HG23 THR A 73 5.783 10.357 -7.386 1.00 50.00 H new ATOM 1145 N VAL A 74 5.947 7.959 -3.931 1.00 10.00 N ATOM 1146 CA VAL A 74 5.056 6.813 -3.799 1.00 10.00 C ATOM 1147 C VAL A 74 3.973 7.075 -2.758 1.00 10.00 C ATOM 1148 O VAL A 74 2.793 6.831 -3.002 1.00 50.00 O ATOM 1149 CB VAL A 74 5.829 5.538 -3.412 1.00 50.00 C ATOM 1150 CG1 VAL A 74 4.863 4.407 -3.091 1.00 50.00 C ATOM 1151 CG2 VAL A 74 6.775 5.129 -4.528 1.00 50.00 C ATOM 0 H VAL A 74 6.904 7.786 -3.623 1.00 10.00 H new ATOM 0 HA VAL A 74 4.591 6.662 -4.773 1.00 10.00 H new ATOM 0 HB VAL A 74 6.420 5.751 -2.521 1.00 50.00 H new ATOM 0 HG11 VAL A 74 5.426 3.514 -2.820 1.00 50.00 H new ATOM 0 HG12 VAL A 74 4.224 4.700 -2.258 1.00 50.00 H new ATOM 0 HG13 VAL A 74 4.247 4.196 -3.965 1.00 50.00 H new ATOM 0 HG21 VAL A 74 7.313 4.227 -4.237 1.00 50.00 H new ATOM 0 HG22 VAL A 74 6.204 4.934 -5.436 1.00 50.00 H new ATOM 0 HG23 VAL A 74 7.488 5.932 -4.713 1.00 50.00 H new ATOM 1161 N LEU A 75 4.385 7.572 -1.597 1.00 10.00 N ATOM 1162 CA LEU A 75 3.535 7.556 -0.413 1.00 10.00 C ATOM 1163 C LEU A 75 2.263 8.363 -0.636 1.00 50.00 C ATOM 1164 O LEU A 75 1.156 7.864 -0.427 1.00 50.00 O ATOM 1165 CB LEU A 75 4.303 8.099 0.798 1.00 50.00 C ATOM 1166 CG LEU A 75 3.502 8.165 2.104 1.00 50.00 C ATOM 1167 CD1 LEU A 75 3.045 6.769 2.506 1.00 50.00 C ATOM 1168 CD2 LEU A 75 4.358 8.789 3.196 1.00 50.00 C ATOM 0 H LEU A 75 5.303 7.991 -1.451 1.00 10.00 H new ATOM 0 HA LEU A 75 3.248 6.523 -0.218 1.00 10.00 H new ATOM 0 HB2 LEU A 75 5.181 7.474 0.961 1.00 50.00 H new ATOM 0 HB3 LEU A 75 4.663 9.100 0.561 1.00 50.00 H new ATOM 0 HG LEU A 75 2.617 8.784 1.957 1.00 50.00 H new ATOM 0 HD11 LEU A 75 2.477 6.825 3.435 1.00 50.00 H new ATOM 0 HD12 LEU A 75 2.415 6.352 1.720 1.00 50.00 H new ATOM 0 HD13 LEU A 75 3.915 6.129 2.651 1.00 50.00 H new ATOM 0 HD21 LEU A 75 3.788 8.835 4.124 1.00 50.00 H new ATOM 0 HD22 LEU A 75 5.251 8.183 3.349 1.00 50.00 H new ATOM 0 HD23 LEU A 75 4.650 9.796 2.899 1.00 50.00 H new ATOM 1180 N PRO A 76 2.425 9.609 -1.064 1.00 50.00 N ATOM 1181 CA PRO A 76 1.294 10.512 -1.241 1.00 50.00 C ATOM 1182 C PRO A 76 0.332 9.987 -2.298 1.00 50.00 C ATOM 1183 O PRO A 76 -0.884 10.142 -2.176 1.00 50.00 O ATOM 1184 CB PRO A 76 1.937 11.840 -1.655 1.00 50.00 C ATOM 1185 CG PRO A 76 3.290 11.460 -2.149 1.00 50.00 C ATOM 1186 CD PRO A 76 3.729 10.319 -1.270 1.00 50.00 C ATOM 0 HA PRO A 76 0.691 10.616 -0.339 1.00 50.00 H new ATOM 0 HB2 PRO A 76 1.356 12.337 -2.432 1.00 50.00 H new ATOM 0 HB3 PRO A 76 2.001 12.530 -0.813 1.00 50.00 H new ATOM 0 HG2 PRO A 76 3.256 11.159 -3.196 1.00 50.00 H new ATOM 0 HG3 PRO A 76 3.983 12.298 -2.081 1.00 50.00 H new ATOM 0 HD2 PRO A 76 4.473 9.686 -1.754 1.00 50.00 H new ATOM 0 HD3 PRO A 76 4.165 10.663 -0.332 1.00 50.00 H new ATOM 1194 N LYS A 77 0.880 9.366 -3.336 1.00 50.00 N ATOM 1195 CA LYS A 77 0.069 8.801 -4.408 1.00 50.00 C ATOM 1196 C LYS A 77 -0.733 7.602 -3.917 1.00 50.00 C ATOM 1197 O LYS A 77 -1.918 7.470 -4.222 1.00 50.00 O ATOM 1198 CB LYS A 77 0.951 8.394 -5.590 1.00 50.00 C ATOM 1199 CG LYS A 77 1.518 9.565 -6.383 1.00 50.00 C ATOM 1200 CD LYS A 77 2.308 9.083 -7.590 1.00 50.00 C ATOM 1201 CE LYS A 77 2.847 10.252 -8.401 1.00 50.00 C ATOM 1202 NZ LYS A 77 3.571 9.796 -9.619 1.00 50.00 N ATOM 0 H LYS A 77 1.885 9.241 -3.458 1.00 50.00 H new ATOM 0 HA LYS A 77 -0.631 9.569 -4.737 1.00 50.00 H new ATOM 0 HB2 LYS A 77 1.777 7.787 -5.219 1.00 50.00 H new ATOM 0 HB3 LYS A 77 0.369 7.763 -6.262 1.00 50.00 H new ATOM 0 HG2 LYS A 77 0.705 10.212 -6.712 1.00 50.00 H new ATOM 0 HG3 LYS A 77 2.162 10.165 -5.740 1.00 50.00 H new ATOM 0 HD2 LYS A 77 3.135 8.455 -7.259 1.00 50.00 H new ATOM 0 HD3 LYS A 77 1.671 8.463 -8.221 1.00 50.00 H new ATOM 0 HE2 LYS A 77 2.022 10.903 -8.691 1.00 50.00 H new ATOM 0 HE3 LYS A 77 3.518 10.845 -7.780 1.00 50.00 H new ATOM 0 HZ1 LYS A 77 3.922 10.622 -10.144 1.00 50.00 H new ATOM 0 HZ2 LYS A 77 4.373 9.195 -9.341 1.00 50.00 H new ATOM 0 HZ3 LYS A 77 2.924 9.251 -10.224 1.00 50.00 H new ATOM 1216 N VAL A 78 -0.081 6.731 -3.155 1.00 50.00 N ATOM 1217 CA VAL A 78 -0.754 5.590 -2.546 1.00 50.00 C ATOM 1218 C VAL A 78 -1.795 6.043 -1.530 1.00 50.00 C ATOM 1219 O VAL A 78 -2.887 5.480 -1.454 1.00 50.00 O ATOM 1220 CB VAL A 78 0.247 4.646 -1.854 1.00 50.00 C ATOM 1221 CG1 VAL A 78 -0.490 3.587 -1.046 1.00 50.00 C ATOM 1222 CG2 VAL A 78 1.160 3.992 -2.880 1.00 50.00 C ATOM 0 H VAL A 78 0.915 6.794 -2.944 1.00 50.00 H new ATOM 0 HA VAL A 78 -1.249 5.050 -3.353 1.00 50.00 H new ATOM 0 HB VAL A 78 0.861 5.235 -1.172 1.00 50.00 H new ATOM 0 HG11 VAL A 78 0.233 2.929 -0.564 1.00 50.00 H new ATOM 0 HG12 VAL A 78 -1.104 4.071 -0.286 1.00 50.00 H new ATOM 0 HG13 VAL A 78 -1.128 3.002 -1.709 1.00 50.00 H new ATOM 0 HG21 VAL A 78 1.861 3.328 -2.373 1.00 50.00 H new ATOM 0 HG22 VAL A 78 0.561 3.416 -3.586 1.00 50.00 H new ATOM 0 HG23 VAL A 78 1.714 4.762 -3.418 1.00 50.00 H new ATOM 1232 N GLU A 79 -1.450 7.063 -0.751 1.00 50.00 N ATOM 1233 CA GLU A 79 -2.365 7.612 0.242 1.00 50.00 C ATOM 1234 C GLU A 79 -3.709 7.965 -0.384 1.00 50.00 C ATOM 1235 O GLU A 79 -4.762 7.725 0.207 1.00 50.00 O ATOM 1236 CB GLU A 79 -1.755 8.848 0.907 1.00 50.00 C ATOM 1237 CG GLU A 79 -2.697 9.583 1.850 1.00 50.00 C ATOM 1238 CD GLU A 79 -2.030 10.783 2.462 1.00 50.00 C ATOM 1239 OE1 GLU A 79 -0.880 11.012 2.170 1.00 50.00 O ATOM 1240 OE2 GLU A 79 -2.700 11.533 3.131 1.00 50.00 O ATOM 0 H GLU A 79 -0.542 7.526 -0.789 1.00 50.00 H new ATOM 0 HA GLU A 79 -2.532 6.847 1.001 1.00 50.00 H new ATOM 0 HB2 GLU A 79 -0.867 8.546 1.462 1.00 50.00 H new ATOM 0 HB3 GLU A 79 -1.426 9.538 0.130 1.00 50.00 H new ATOM 0 HG2 GLU A 79 -3.588 9.897 1.306 1.00 50.00 H new ATOM 0 HG3 GLU A 79 -3.027 8.906 2.638 1.00 50.00 H new ATOM 1247 N ALA A 80 -3.666 8.537 -1.583 1.00 50.00 N ATOM 1248 CA ALA A 80 -4.879 8.950 -2.277 1.00 50.00 C ATOM 1249 C ALA A 80 -5.860 7.793 -2.413 1.00 50.00 C ATOM 1250 O ALA A 80 -7.074 7.985 -2.346 1.00 50.00 O ATOM 1251 CB ALA A 80 -4.537 9.523 -3.645 1.00 50.00 C ATOM 0 H ALA A 80 -2.803 8.725 -2.094 1.00 50.00 H new ATOM 0 HA ALA A 80 -5.360 9.726 -1.681 1.00 50.00 H new ATOM 0 HB1 ALA A 80 -5.453 9.827 -4.151 1.00 50.00 H new ATOM 0 HB2 ALA A 80 -3.885 10.388 -3.524 1.00 50.00 H new ATOM 0 HB3 ALA A 80 -4.028 8.765 -4.240 1.00 50.00 H new ATOM 1257 N VAL A 81 -5.326 6.592 -2.606 1.00 50.00 N ATOM 1258 CA VAL A 81 -6.154 5.413 -2.830 1.00 50.00 C ATOM 1259 C VAL A 81 -7.144 5.209 -1.690 1.00 50.00 C ATOM 1260 O VAL A 81 -8.298 4.847 -1.915 1.00 50.00 O ATOM 1261 CB VAL A 81 -5.297 4.142 -2.986 1.00 50.00 C ATOM 1262 CG1 VAL A 81 -6.181 2.904 -3.019 1.00 50.00 C ATOM 1263 CG2 VAL A 81 -4.449 4.222 -4.246 1.00 50.00 C ATOM 0 H VAL A 81 -4.323 6.409 -2.612 1.00 50.00 H new ATOM 0 HA VAL A 81 -6.702 5.587 -3.756 1.00 50.00 H new ATOM 0 HB VAL A 81 -4.631 4.069 -2.126 1.00 50.00 H new ATOM 0 HG11 VAL A 81 -5.559 2.016 -3.130 1.00 50.00 H new ATOM 0 HG12 VAL A 81 -6.748 2.837 -2.090 1.00 50.00 H new ATOM 0 HG13 VAL A 81 -6.870 2.971 -3.861 1.00 50.00 H new ATOM 0 HG21 VAL A 81 -3.850 3.316 -4.340 1.00 50.00 H new ATOM 0 HG22 VAL A 81 -5.098 4.320 -5.116 1.00 50.00 H new ATOM 0 HG23 VAL A 81 -3.790 5.088 -4.186 1.00 50.00 H new ATOM 1273 N PHE A 82 -6.684 5.445 -0.465 1.00 50.00 N ATOM 1274 CA PHE A 82 -7.509 5.229 0.716 1.00 50.00 C ATOM 1275 C PHE A 82 -8.268 6.493 1.097 1.00 50.00 C ATOM 1276 O PHE A 82 -8.443 6.792 2.279 1.00 50.00 O ATOM 1277 CB PHE A 82 -6.649 4.759 1.890 1.00 50.00 C ATOM 1278 CG PHE A 82 -5.659 3.687 1.525 1.00 50.00 C ATOM 1279 CD1 PHE A 82 -6.075 2.383 1.310 1.00 50.00 C ATOM 1280 CD2 PHE A 82 -4.311 3.985 1.393 1.00 50.00 C ATOM 1281 CE1 PHE A 82 -5.167 1.397 0.975 1.00 50.00 C ATOM 1282 CE2 PHE A 82 -3.400 3.002 1.058 1.00 50.00 C ATOM 1283 CZ PHE A 82 -3.826 1.708 0.849 1.00 50.00 C ATOM 0 H PHE A 82 -5.744 5.786 -0.266 1.00 50.00 H new ATOM 0 HA PHE A 82 -8.237 4.454 0.477 1.00 50.00 H new ATOM 0 HB2 PHE A 82 -6.111 5.614 2.299 1.00 50.00 H new ATOM 0 HB3 PHE A 82 -7.301 4.385 2.679 1.00 50.00 H new ATOM 0 HD1 PHE A 82 -7.122 2.134 1.405 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -3.970 4.997 1.554 1.00 50.00 H new ATOM 0 HE1 PHE A 82 -5.505 0.384 0.812 1.00 50.00 H new ATOM 0 HE2 PHE A 82 -2.353 3.248 0.960 1.00 50.00 H new ATOM 0 HZ PHE A 82 -3.114 0.939 0.588 1.00 50.00 H new ATOM 1293 N GLU A 83 -8.717 7.234 0.091 1.00 50.00 N ATOM 1294 CA GLU A 83 -9.633 8.347 0.306 1.00 50.00 C ATOM 1295 C GLU A 83 -11.024 8.029 -0.229 1.00 50.00 C ATOM 1296 O GLU A 83 -11.702 8.897 -0.779 1.00 50.00 O ATOM 1297 CB GLU A 83 -9.096 9.620 -0.351 1.00 50.00 C ATOM 1298 CG GLU A 83 -7.759 10.095 0.202 1.00 50.00 C ATOM 1299 CD GLU A 83 -7.304 11.355 -0.481 1.00 75.00 C ATOM 1300 OE1 GLU A 83 -8.014 11.838 -1.331 1.00 75.00 O ATOM 1301 OE2 GLU A 83 -6.304 11.899 -0.076 1.00 75.00 O ATOM 0 H GLU A 83 -8.460 7.083 -0.885 1.00 50.00 H new ATOM 0 HA GLU A 83 -9.710 8.509 1.381 1.00 50.00 H new ATOM 0 HB2 GLU A 83 -8.992 9.446 -1.422 1.00 50.00 H new ATOM 0 HB3 GLU A 83 -9.830 10.416 -0.228 1.00 50.00 H new ATOM 0 HG2 GLU A 83 -7.848 10.271 1.274 1.00 50.00 H new ATOM 0 HG3 GLU A 83 -7.010 9.315 0.068 1.00 50.00 H new