USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 686 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 1 MET CE :methyl 164:sc= -0.015 (180deg=-0.267) USER MOD Single : A 6 SER OG : rot -29:sc= 0.0586 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 17 SER OG : rot -55:sc= 0.609 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.102 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.159 K(o=-0.16,f=-0.96) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot -39:sc= 0.451 USER MOD Single : A 33 ASN : amide:sc= 0.473 X(o=0.47,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 149:sc= 0.568 (180deg=-0.25) USER MOD Single : A 37 CYS SG : rot 107:sc= -1.91! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0228 USER MOD Single : A 44 SER OG : rot -41:sc= 0.05 USER MOD Single : A 64 LYS NZ :NH3+ -155:sc= -0.316 (180deg=-0.965) USER MOD Single : A 66 LYS NZ :NH3+ -165:sc= 0.171 (180deg=0.115) USER MOD Single : A 69 CYS SG : rot 180:sc= 0.189 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0598) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -14.319 -1.977 -1.381 1.00 32.23 N ATOM 2 CA GLY A -2 -13.287 -1.109 -0.751 1.00 33.23 C ATOM 3 C GLY A -2 -13.850 0.232 -0.303 1.00 71.14 C ATOM 4 O GLY A -2 -14.452 0.321 0.770 1.00 73.12 O ATOM 0 H1 GLY A -2 -13.886 -2.878 -1.669 1.00 32.23 H new ATOM 0 H2 GLY A -2 -15.081 -2.162 -0.698 1.00 32.23 H new ATOM 0 H3 GLY A -2 -14.711 -1.499 -2.217 1.00 32.23 H new ATOM 0 HA2 GLY A -2 -12.858 -1.625 0.108 1.00 33.23 H new ATOM 0 HA3 GLY A -2 -12.476 -0.941 -1.460 1.00 33.23 H new ATOM 10 N SER A -1 -13.607 1.267 -1.131 1.00 12.33 N ATOM 11 CA SER A -1 -14.221 2.611 -1.006 1.00 15.25 C ATOM 12 C SER A -1 -13.824 3.372 0.283 1.00 71.20 C ATOM 13 O SER A -1 -14.648 4.060 0.892 1.00 33.23 O ATOM 14 CB SER A -1 -15.751 2.504 -1.144 1.00 4.14 C ATOM 15 OG SER A -1 -16.097 1.900 -2.383 1.00 74.44 O ATOM 0 H SER A -1 -12.967 1.195 -1.922 1.00 12.33 H new ATOM 0 HA SER A -1 -13.820 3.212 -1.823 1.00 15.25 H new ATOM 0 HB2 SER A -1 -16.156 1.916 -0.320 1.00 4.14 H new ATOM 0 HB3 SER A -1 -16.198 3.496 -1.078 1.00 4.14 H new ATOM 0 HG SER A -1 -17.072 1.837 -2.455 1.00 74.44 H new ATOM 21 N HIS A 0 -12.553 3.262 0.674 1.00 1.12 N ATOM 22 CA HIS A 0 -12.007 4.016 1.811 1.00 24.52 C ATOM 23 C HIS A 0 -10.536 4.328 1.567 1.00 72.34 C ATOM 24 O HIS A 0 -9.915 3.696 0.716 1.00 54.22 O ATOM 25 CB HIS A 0 -12.140 3.232 3.124 1.00 23.53 C ATOM 26 CG HIS A 0 -13.252 3.718 4.007 1.00 3.01 C ATOM 27 ND1 HIS A 0 -14.313 2.927 4.381 1.00 4.40 N ATOM 28 CD2 HIS A 0 -13.429 4.908 4.632 1.00 52.04 C ATOM 29 CE1 HIS A 0 -15.113 3.618 5.173 1.00 31.24 C ATOM 30 NE2 HIS A 0 -14.597 4.819 5.348 1.00 63.43 N ATOM 0 H HIS A 0 -11.875 2.653 0.217 1.00 1.12 H new ATOM 0 HA HIS A 0 -12.579 4.940 1.900 1.00 24.52 H new ATOM 0 HB2 HIS A 0 -12.305 2.180 2.893 1.00 23.53 H new ATOM 0 HB3 HIS A 0 -11.199 3.295 3.671 1.00 23.53 H new ATOM 0 HD2 HIS A 0 -12.774 5.765 4.577 1.00 52.04 H new ATOM 0 HE1 HIS A 0 -16.036 3.259 5.605 1.00 31.24 H new ATOM 0 HE2 HIS A 0 -15.000 5.560 5.921 1.00 63.43 H new ATOM 39 N MET A 1 -10.004 5.324 2.298 1.00 12.13 N ATOM 40 CA MET A 1 -8.564 5.656 2.281 1.00 1.15 C ATOM 41 C MET A 1 -8.168 6.484 3.521 1.00 73.15 C ATOM 42 O MET A 1 -8.373 7.703 3.566 1.00 0.04 O ATOM 43 CB MET A 1 -8.148 6.378 0.963 1.00 63.23 C ATOM 44 CG MET A 1 -9.039 7.551 0.543 1.00 13.12 C ATOM 45 SD MET A 1 -8.586 8.249 -1.061 1.00 33.21 S ATOM 46 CE MET A 1 -9.089 6.933 -2.178 1.00 60.55 C ATOM 0 H MET A 1 -10.555 5.920 2.915 1.00 12.13 H new ATOM 0 HA MET A 1 -8.016 4.714 2.317 1.00 1.15 H new ATOM 0 HB2 MET A 1 -7.127 6.743 1.076 1.00 63.23 H new ATOM 0 HB3 MET A 1 -8.138 5.645 0.156 1.00 63.23 H new ATOM 0 HG2 MET A 1 -10.076 7.217 0.507 1.00 13.12 H new ATOM 0 HG3 MET A 1 -8.982 8.332 1.301 1.00 13.12 H new ATOM 0 HE1 MET A 1 -9.139 7.319 -3.196 1.00 60.55 H new ATOM 0 HE2 MET A 1 -8.363 6.121 -2.133 1.00 60.55 H new ATOM 0 HE3 MET A 1 -10.070 6.560 -1.883 1.00 60.55 H new ATOM 56 N VAL A 2 -7.635 5.804 4.548 1.00 63.41 N ATOM 57 CA VAL A 2 -7.167 6.471 5.775 1.00 52.14 C ATOM 58 C VAL A 2 -6.242 5.531 6.601 1.00 33.14 C ATOM 59 O VAL A 2 -6.665 4.477 7.087 1.00 34.21 O ATOM 60 CB VAL A 2 -8.370 7.036 6.634 1.00 32.42 C ATOM 61 CG1 VAL A 2 -9.397 5.966 7.017 1.00 45.23 C ATOM 62 CG2 VAL A 2 -7.867 7.757 7.875 1.00 43.30 C ATOM 0 H VAL A 2 -7.517 4.791 4.554 1.00 63.41 H new ATOM 0 HA VAL A 2 -6.571 7.334 5.478 1.00 52.14 H new ATOM 0 HB VAL A 2 -8.886 7.750 5.992 1.00 32.42 H new ATOM 0 HG11 VAL A 2 -10.194 6.421 7.605 1.00 45.23 H new ATOM 0 HG12 VAL A 2 -9.818 5.526 6.113 1.00 45.23 H new ATOM 0 HG13 VAL A 2 -8.910 5.189 7.606 1.00 45.23 H new ATOM 0 HG21 VAL A 2 -8.716 8.134 8.446 1.00 43.30 H new ATOM 0 HG22 VAL A 2 -7.295 7.064 8.492 1.00 43.30 H new ATOM 0 HG23 VAL A 2 -7.230 8.590 7.579 1.00 43.30 H new ATOM 72 N ILE A 3 -4.947 5.900 6.703 1.00 34.40 N ATOM 73 CA ILE A 3 -3.971 5.139 7.503 1.00 33.33 C ATOM 74 C ILE A 3 -2.696 5.986 7.788 1.00 1.31 C ATOM 75 O ILE A 3 -2.089 6.534 6.865 1.00 42.31 O ATOM 76 CB ILE A 3 -3.610 3.746 6.836 1.00 54.33 C ATOM 77 CG1 ILE A 3 -2.604 2.976 7.717 1.00 35.00 C ATOM 78 CG2 ILE A 3 -3.102 3.880 5.378 1.00 15.44 C ATOM 79 CD1 ILE A 3 -2.345 1.555 7.264 1.00 44.01 C ATOM 0 H ILE A 3 -4.556 6.721 6.240 1.00 34.40 H new ATOM 0 HA ILE A 3 -4.442 4.916 8.460 1.00 33.33 H new ATOM 0 HB ILE A 3 -4.535 3.173 6.774 1.00 54.33 H new ATOM 0 HG12 ILE A 3 -1.659 3.519 7.730 1.00 35.00 H new ATOM 0 HG13 ILE A 3 -2.975 2.957 8.742 1.00 35.00 H new ATOM 0 HG21 ILE A 3 -2.873 2.891 4.980 1.00 15.44 H new ATOM 0 HG22 ILE A 3 -3.873 4.348 4.766 1.00 15.44 H new ATOM 0 HG23 ILE A 3 -2.202 4.495 5.361 1.00 15.44 H new ATOM 0 HD11 ILE A 3 -1.627 1.084 7.936 1.00 44.01 H new ATOM 0 HD12 ILE A 3 -3.279 0.993 7.278 1.00 44.01 H new ATOM 0 HD13 ILE A 3 -1.942 1.564 6.251 1.00 44.01 H new ATOM 91 N ARG A 4 -2.331 6.143 9.083 1.00 65.05 N ATOM 92 CA ARG A 4 -1.062 6.758 9.480 1.00 33.54 C ATOM 93 C ARG A 4 -0.531 5.989 10.679 1.00 1.32 C ATOM 94 O ARG A 4 -1.348 5.622 11.534 1.00 3.32 O ATOM 95 CB ARG A 4 -1.238 8.219 9.920 1.00 44.12 C ATOM 96 CG ARG A 4 -1.320 9.245 8.787 1.00 24.41 C ATOM 97 CD ARG A 4 -2.646 9.980 8.825 1.00 15.11 C ATOM 98 NE ARG A 4 -2.578 11.255 8.114 1.00 50.53 N ATOM 99 CZ ARG A 4 -2.444 12.448 8.718 1.00 3.04 C ATOM 100 NH1 ARG A 4 -2.349 12.541 10.045 1.00 40.00 N ATOM 101 NH2 ARG A 4 -2.435 13.555 7.992 1.00 63.42 N ATOM 0 H ARG A 4 -2.910 5.846 9.869 1.00 65.05 H new ATOM 0 HA ARG A 4 -0.389 6.731 8.623 1.00 33.54 H new ATOM 0 HB2 ARG A 4 -2.146 8.293 10.519 1.00 44.12 H new ATOM 0 HB3 ARG A 4 -0.405 8.487 10.569 1.00 44.12 H new ATOM 0 HG2 ARG A 4 -0.500 9.958 8.875 1.00 24.41 H new ATOM 0 HG3 ARG A 4 -1.204 8.743 7.826 1.00 24.41 H new ATOM 0 HD2 ARG A 4 -3.421 9.356 8.380 1.00 15.11 H new ATOM 0 HD3 ARG A 4 -2.935 10.156 9.861 1.00 15.11 H new ATOM 0 HE ARG A 4 -2.636 11.238 7.096 1.00 50.53 H new ATOM 0 HH11 ARG A 4 -2.378 11.698 10.619 1.00 40.00 H new ATOM 0 HH12 ARG A 4 -2.248 13.455 10.486 1.00 40.00 H new ATOM 0 HH21 ARG A 4 -2.530 13.501 6.978 1.00 63.42 H new ATOM 0 HH22 ARG A 4 -2.334 14.462 8.447 1.00 63.42 H new ATOM 115 N GLU A 5 0.795 5.672 10.709 1.00 44.42 N ATOM 116 CA GLU A 5 1.489 5.173 11.935 1.00 34.42 C ATOM 117 C GLU A 5 1.114 3.711 12.281 1.00 53.01 C ATOM 118 O GLU A 5 1.552 3.179 13.306 1.00 5.01 O ATOM 119 CB GLU A 5 1.200 6.084 13.171 1.00 74.23 C ATOM 120 CG GLU A 5 2.268 7.151 13.532 1.00 54.13 C ATOM 121 CD GLU A 5 1.811 8.020 14.686 1.00 11.11 C ATOM 122 OE1 GLU A 5 0.989 8.931 14.453 1.00 10.15 O ATOM 123 OE2 GLU A 5 2.274 7.794 15.828 1.00 64.22 O ATOM 0 H GLU A 5 1.406 5.753 9.897 1.00 44.42 H new ATOM 0 HA GLU A 5 2.554 5.205 11.703 1.00 34.42 H new ATOM 0 HB2 GLU A 5 0.254 6.598 12.998 1.00 74.23 H new ATOM 0 HB3 GLU A 5 1.059 5.440 14.039 1.00 74.23 H new ATOM 0 HG2 GLU A 5 3.204 6.657 13.794 1.00 54.13 H new ATOM 0 HG3 GLU A 5 2.470 7.775 12.662 1.00 54.13 H new ATOM 130 N SER A 6 0.335 3.052 11.421 1.00 11.53 N ATOM 131 CA SER A 6 -0.221 1.739 11.748 1.00 54.45 C ATOM 132 C SER A 6 0.590 0.592 11.113 1.00 20.15 C ATOM 133 O SER A 6 0.401 -0.568 11.476 1.00 31.13 O ATOM 134 CB SER A 6 -1.701 1.671 11.330 1.00 34.04 C ATOM 135 OG SER A 6 -2.352 0.543 11.895 1.00 31.12 O ATOM 0 H SER A 6 0.077 3.404 10.499 1.00 11.53 H new ATOM 0 HA SER A 6 -0.155 1.609 12.828 1.00 54.45 H new ATOM 0 HB2 SER A 6 -2.211 2.582 11.645 1.00 34.04 H new ATOM 0 HB3 SER A 6 -1.771 1.626 10.243 1.00 34.04 H new ATOM 0 HG SER A 6 -1.700 -0.175 12.035 1.00 31.12 H new ATOM 141 N VAL A 7 1.487 0.972 10.181 1.00 42.34 N ATOM 142 CA VAL A 7 2.413 0.073 9.400 1.00 22.34 C ATOM 143 C VAL A 7 1.668 -0.920 8.463 1.00 71.45 C ATOM 144 O VAL A 7 0.886 -1.771 8.896 1.00 4.54 O ATOM 145 CB VAL A 7 3.583 -0.636 10.247 1.00 63.12 C ATOM 146 CG1 VAL A 7 4.251 0.377 11.164 1.00 41.32 C ATOM 147 CG2 VAL A 7 3.241 -1.947 11.042 1.00 61.13 C ATOM 0 H VAL A 7 1.605 1.953 9.928 1.00 42.34 H new ATOM 0 HA VAL A 7 2.945 0.775 8.758 1.00 22.34 H new ATOM 0 HB VAL A 7 4.257 -0.999 9.471 1.00 63.12 H new ATOM 0 HG11 VAL A 7 5.041 -0.113 11.733 1.00 41.32 H new ATOM 0 HG12 VAL A 7 4.679 1.182 10.566 1.00 41.32 H new ATOM 0 HG13 VAL A 7 3.512 0.789 11.851 1.00 41.32 H new ATOM 0 HG21 VAL A 7 4.132 -2.302 11.560 1.00 61.13 H new ATOM 0 HG22 VAL A 7 2.458 -1.737 11.770 1.00 61.13 H new ATOM 0 HG23 VAL A 7 2.895 -2.713 10.348 1.00 61.13 H new ATOM 157 N SER A 8 1.894 -0.767 7.141 1.00 23.54 N ATOM 158 CA SER A 8 1.229 -1.600 6.133 1.00 20.23 C ATOM 159 C SER A 8 1.837 -3.022 6.101 1.00 12.23 C ATOM 160 O SER A 8 3.011 -3.184 5.796 1.00 4.24 O ATOM 161 CB SER A 8 1.378 -0.884 4.763 1.00 74.14 C ATOM 162 OG SER A 8 0.683 0.349 4.771 1.00 65.44 O ATOM 0 H SER A 8 2.533 -0.073 6.753 1.00 23.54 H new ATOM 0 HA SER A 8 0.173 -1.723 6.375 1.00 20.23 H new ATOM 0 HB2 SER A 8 2.433 -0.712 4.548 1.00 74.14 H new ATOM 0 HB3 SER A 8 0.991 -1.522 3.968 1.00 74.14 H new ATOM 0 HG SER A 8 0.788 0.789 3.902 1.00 65.44 H new ATOM 168 N ARG A 9 1.011 -4.068 6.368 1.00 41.21 N ATOM 169 CA ARG A 9 1.548 -5.463 6.418 1.00 41.03 C ATOM 170 C ARG A 9 0.599 -6.521 5.785 1.00 2.35 C ATOM 171 O ARG A 9 -0.585 -6.279 5.711 1.00 64.14 O ATOM 172 CB ARG A 9 1.967 -5.913 7.861 1.00 52.25 C ATOM 173 CG ARG A 9 1.141 -5.391 9.067 1.00 64.43 C ATOM 174 CD ARG A 9 -0.380 -5.606 8.947 1.00 13.53 C ATOM 175 NE ARG A 9 -1.065 -5.586 10.245 1.00 62.12 N ATOM 176 CZ ARG A 9 -1.575 -4.497 10.836 1.00 34.04 C ATOM 177 NH1 ARG A 9 -1.479 -3.292 10.266 1.00 74.50 N ATOM 178 NH2 ARG A 9 -2.199 -4.629 12.004 1.00 33.50 N ATOM 0 H ARG A 9 0.010 -3.985 6.546 1.00 41.21 H new ATOM 0 HA ARG A 9 2.447 -5.419 5.803 1.00 41.03 H new ATOM 0 HB2 ARG A 9 1.943 -7.002 7.889 1.00 52.25 H new ATOM 0 HB3 ARG A 9 3.004 -5.613 8.014 1.00 52.25 H new ATOM 0 HG2 ARG A 9 1.494 -5.885 9.972 1.00 64.43 H new ATOM 0 HG3 ARG A 9 1.335 -4.325 9.189 1.00 64.43 H new ATOM 0 HD2 ARG A 9 -0.802 -4.831 8.308 1.00 13.53 H new ATOM 0 HD3 ARG A 9 -0.569 -6.561 8.457 1.00 13.53 H new ATOM 0 HE ARG A 9 -1.161 -6.474 10.738 1.00 62.12 H new ATOM 0 HH11 ARG A 9 -1.011 -3.190 9.365 1.00 74.50 H new ATOM 0 HH12 ARG A 9 -1.874 -2.475 10.732 1.00 74.50 H new ATOM 0 HH21 ARG A 9 -2.283 -5.549 12.436 1.00 33.50 H new ATOM 0 HH22 ARG A 9 -2.593 -3.810 12.467 1.00 33.50 H new ATOM 192 N ILE A 10 1.104 -7.728 5.391 1.00 20.04 N ATOM 193 CA ILE A 10 0.226 -8.771 4.833 1.00 40.20 C ATOM 194 C ILE A 10 0.199 -9.909 5.839 1.00 44.42 C ATOM 195 O ILE A 10 1.265 -10.271 6.402 1.00 3.33 O ATOM 196 CB ILE A 10 0.702 -9.384 3.435 1.00 0.35 C ATOM 197 CG1 ILE A 10 0.759 -8.342 2.292 1.00 32.42 C ATOM 198 CG2 ILE A 10 -0.146 -10.611 2.990 1.00 30.33 C ATOM 199 CD1 ILE A 10 0.878 -8.923 0.866 1.00 4.24 C ATOM 0 H ILE A 10 2.089 -7.987 5.452 1.00 20.04 H new ATOM 0 HA ILE A 10 -0.741 -8.302 4.649 1.00 40.20 H new ATOM 0 HB ILE A 10 1.720 -9.723 3.625 1.00 0.35 H new ATOM 0 HG12 ILE A 10 -0.139 -7.726 2.341 1.00 32.42 H new ATOM 0 HG13 ILE A 10 1.608 -7.682 2.468 1.00 32.42 H new ATOM 0 HG21 ILE A 10 0.225 -10.983 2.035 1.00 30.33 H new ATOM 0 HG22 ILE A 10 -0.069 -11.398 3.740 1.00 30.33 H new ATOM 0 HG23 ILE A 10 -1.189 -10.313 2.883 1.00 30.33 H new ATOM 0 HD11 ILE A 10 0.910 -8.108 0.143 1.00 4.24 H new ATOM 0 HD12 ILE A 10 1.791 -9.513 0.789 1.00 4.24 H new ATOM 0 HD13 ILE A 10 0.017 -9.558 0.659 1.00 4.24 H new ATOM 211 N TYR A 11 -1.032 -10.432 6.060 1.00 53.23 N ATOM 212 CA TYR A 11 -1.279 -11.565 6.959 1.00 43.45 C ATOM 213 C TYR A 11 -1.243 -12.892 6.130 1.00 12.34 C ATOM 214 O TYR A 11 -2.107 -13.076 5.248 1.00 30.12 O ATOM 215 CB TYR A 11 -2.681 -11.379 7.603 1.00 21.13 C ATOM 216 CG TYR A 11 -3.006 -12.318 8.753 1.00 2.33 C ATOM 217 CD1 TYR A 11 -3.598 -13.564 8.535 1.00 54.31 C ATOM 218 CD2 TYR A 11 -2.753 -11.937 10.065 1.00 12.10 C ATOM 219 CE1 TYR A 11 -3.917 -14.396 9.591 1.00 41.12 C ATOM 220 CE2 TYR A 11 -3.074 -12.767 11.127 1.00 74.41 C ATOM 221 CZ TYR A 11 -3.656 -13.996 10.883 1.00 3.13 C ATOM 222 OH TYR A 11 -3.978 -14.830 11.933 1.00 51.31 O ATOM 0 H TYR A 11 -1.877 -10.073 5.615 1.00 53.23 H new ATOM 0 HA TYR A 11 -0.518 -11.612 7.738 1.00 43.45 H new ATOM 0 HB2 TYR A 11 -2.763 -10.353 7.961 1.00 21.13 H new ATOM 0 HB3 TYR A 11 -3.437 -11.507 6.828 1.00 21.13 H new ATOM 0 HD1 TYR A 11 -3.810 -13.882 7.525 1.00 54.31 H new ATOM 0 HD2 TYR A 11 -2.298 -10.977 10.260 1.00 12.10 H new ATOM 0 HE1 TYR A 11 -4.370 -15.358 9.404 1.00 41.12 H new ATOM 0 HE2 TYR A 11 -2.870 -12.455 12.141 1.00 74.41 H new ATOM 0 HH TYR A 11 -3.729 -14.402 12.779 1.00 51.31 H new ATOM 232 N VAL A 12 -0.267 -13.818 6.368 1.00 75.44 N ATOM 233 CA VAL A 12 -0.225 -15.069 5.609 1.00 73.34 C ATOM 234 C VAL A 12 -0.261 -16.250 6.588 1.00 1.11 C ATOM 235 O VAL A 12 0.635 -16.393 7.408 1.00 32.24 O ATOM 236 CB VAL A 12 1.053 -15.151 4.648 1.00 24.31 C ATOM 237 CG1 VAL A 12 1.333 -16.552 4.093 1.00 34.25 C ATOM 238 CG2 VAL A 12 0.909 -14.194 3.486 1.00 62.25 C ATOM 0 H VAL A 12 0.473 -13.712 7.062 1.00 75.44 H new ATOM 0 HA VAL A 12 -1.098 -15.108 4.958 1.00 73.34 H new ATOM 0 HB VAL A 12 1.899 -14.877 5.279 1.00 24.31 H new ATOM 0 HG11 VAL A 12 2.214 -16.520 3.452 1.00 34.25 H new ATOM 0 HG12 VAL A 12 1.509 -17.242 4.918 1.00 34.25 H new ATOM 0 HG13 VAL A 12 0.475 -16.892 3.513 1.00 34.25 H new ATOM 0 HG21 VAL A 12 1.788 -14.265 2.845 1.00 62.25 H new ATOM 0 HG22 VAL A 12 0.019 -14.451 2.911 1.00 62.25 H new ATOM 0 HG23 VAL A 12 0.816 -13.175 3.863 1.00 62.25 H new ATOM 248 N GLY A 13 -1.329 -17.062 6.549 1.00 24.41 N ATOM 249 CA GLY A 13 -1.335 -18.275 7.365 1.00 20.04 C ATOM 250 C GLY A 13 -1.511 -19.560 6.556 1.00 64.41 C ATOM 251 O GLY A 13 -1.785 -19.496 5.358 1.00 1.32 O ATOM 0 H GLY A 13 -2.165 -16.907 5.985 1.00 24.41 H new ATOM 0 HA2 GLY A 13 -0.400 -18.332 7.922 1.00 20.04 H new ATOM 0 HA3 GLY A 13 -2.139 -18.205 8.098 1.00 20.04 H new ATOM 255 N ASN A 14 -1.338 -20.740 7.224 1.00 45.03 N ATOM 256 CA ASN A 14 -1.554 -22.084 6.597 1.00 30.11 C ATOM 257 C ASN A 14 -0.822 -22.313 5.235 1.00 10.41 C ATOM 258 O ASN A 14 -1.230 -23.165 4.478 1.00 51.12 O ATOM 259 CB ASN A 14 -3.067 -22.292 6.408 1.00 14.04 C ATOM 260 CG ASN A 14 -3.828 -22.426 7.722 1.00 41.25 C ATOM 261 OD1 ASN A 14 -3.350 -23.045 8.679 1.00 22.34 O ATOM 262 ND2 ASN A 14 -5.016 -21.836 7.783 1.00 23.01 N ATOM 0 H ASN A 14 -1.048 -20.788 8.201 1.00 45.03 H new ATOM 0 HA ASN A 14 -1.115 -22.812 7.279 1.00 30.11 H new ATOM 0 HB2 ASN A 14 -3.474 -21.452 5.845 1.00 14.04 H new ATOM 0 HB3 ASN A 14 -3.231 -23.187 5.809 1.00 14.04 H new ATOM 0 HD21 ASN A 14 -5.566 -21.885 8.640 1.00 23.01 H new ATOM 0 HD22 ASN A 14 -5.378 -21.334 6.972 1.00 23.01 H new ATOM 269 N LEU A 15 0.293 -21.614 4.966 1.00 65.33 N ATOM 270 CA LEU A 15 0.910 -21.621 3.635 1.00 73.21 C ATOM 271 C LEU A 15 1.751 -22.900 3.384 1.00 12.41 C ATOM 272 O LEU A 15 2.400 -23.423 4.303 1.00 0.23 O ATOM 273 CB LEU A 15 1.763 -20.342 3.447 1.00 3.02 C ATOM 274 CG LEU A 15 3.209 -20.390 3.956 1.00 64.35 C ATOM 275 CD1 LEU A 15 4.163 -20.080 2.823 1.00 10.34 C ATOM 276 CD2 LEU A 15 3.428 -19.408 5.095 1.00 63.42 C ATOM 0 H LEU A 15 0.782 -21.039 5.652 1.00 65.33 H new ATOM 0 HA LEU A 15 0.111 -21.628 2.894 1.00 73.21 H new ATOM 0 HB2 LEU A 15 1.786 -20.103 2.384 1.00 3.02 H new ATOM 0 HB3 LEU A 15 1.254 -19.519 3.948 1.00 3.02 H new ATOM 0 HG LEU A 15 3.401 -21.395 4.333 1.00 64.35 H new ATOM 0 HD11 LEU A 15 5.188 -20.116 3.191 1.00 10.34 H new ATOM 0 HD12 LEU A 15 4.036 -20.816 2.029 1.00 10.34 H new ATOM 0 HD13 LEU A 15 3.952 -19.085 2.432 1.00 10.34 H new ATOM 0 HD21 LEU A 15 4.463 -19.467 5.433 1.00 63.42 H new ATOM 0 HD22 LEU A 15 3.217 -18.396 4.749 1.00 63.42 H new ATOM 0 HD23 LEU A 15 2.762 -19.655 5.922 1.00 63.42 H new ATOM 288 N PRO A 16 1.694 -23.455 2.146 1.00 44.14 N ATOM 289 CA PRO A 16 2.550 -24.578 1.731 1.00 42.20 C ATOM 290 C PRO A 16 4.003 -24.126 1.428 1.00 11.35 C ATOM 291 O PRO A 16 4.181 -23.007 0.955 1.00 11.15 O ATOM 292 CB PRO A 16 1.847 -25.109 0.463 1.00 21.24 C ATOM 293 CG PRO A 16 1.047 -23.975 -0.068 1.00 61.14 C ATOM 294 CD PRO A 16 0.740 -23.069 1.089 1.00 41.24 C ATOM 0 HA PRO A 16 2.657 -25.332 2.511 1.00 42.20 H new ATOM 0 HB2 PRO A 16 2.575 -25.451 -0.273 1.00 21.24 H new ATOM 0 HB3 PRO A 16 1.208 -25.960 0.699 1.00 21.24 H new ATOM 0 HG2 PRO A 16 1.602 -23.440 -0.839 1.00 61.14 H new ATOM 0 HG3 PRO A 16 0.127 -24.335 -0.529 1.00 61.14 H new ATOM 0 HD2 PRO A 16 0.861 -22.022 0.812 1.00 41.24 H new ATOM 0 HD3 PRO A 16 -0.290 -23.193 1.424 1.00 41.24 H new ATOM 302 N SER A 17 5.024 -24.981 1.794 1.00 62.34 N ATOM 303 CA SER A 17 6.486 -24.804 1.512 1.00 45.25 C ATOM 304 C SER A 17 7.188 -24.001 2.611 1.00 62.10 C ATOM 305 O SER A 17 8.366 -24.265 2.884 1.00 22.32 O ATOM 306 CB SER A 17 6.855 -24.237 0.100 1.00 71.42 C ATOM 307 OG SER A 17 6.850 -22.813 0.050 1.00 3.25 O ATOM 0 H SER A 17 4.836 -25.840 2.311 1.00 62.34 H new ATOM 0 HA SER A 17 6.860 -25.828 1.507 1.00 45.25 H new ATOM 0 HB2 SER A 17 7.842 -24.601 -0.184 1.00 71.42 H new ATOM 0 HB3 SER A 17 6.149 -24.623 -0.636 1.00 71.42 H new ATOM 0 HG SER A 17 5.978 -22.478 0.347 1.00 3.25 H new ATOM 313 N HIS A 18 6.444 -23.046 3.232 1.00 61.24 N ATOM 314 CA HIS A 18 6.923 -22.182 4.327 1.00 41.22 C ATOM 315 C HIS A 18 7.979 -21.175 3.822 1.00 21.41 C ATOM 316 O HIS A 18 9.132 -21.522 3.573 1.00 75.41 O ATOM 317 CB HIS A 18 7.403 -23.030 5.529 1.00 31.51 C ATOM 318 CG HIS A 18 8.035 -22.273 6.663 1.00 1.32 C ATOM 319 ND1 HIS A 18 7.327 -21.465 7.524 1.00 45.01 N ATOM 320 CD2 HIS A 18 9.319 -22.241 7.083 1.00 54.25 C ATOM 321 CE1 HIS A 18 8.156 -20.958 8.418 1.00 13.42 C ATOM 322 NE2 HIS A 18 9.366 -21.418 8.176 1.00 11.25 N ATOM 0 H HIS A 18 5.475 -22.858 2.974 1.00 61.24 H new ATOM 0 HA HIS A 18 6.089 -21.582 4.692 1.00 41.22 H new ATOM 0 HB2 HIS A 18 6.550 -23.584 5.920 1.00 31.51 H new ATOM 0 HB3 HIS A 18 8.121 -23.765 5.165 1.00 31.51 H new ATOM 0 HD2 HIS A 18 10.152 -22.766 6.640 1.00 54.25 H new ATOM 0 HE1 HIS A 18 7.887 -20.280 9.214 1.00 13.42 H new ATOM 0 HE2 HIS A 18 10.203 -21.197 8.716 1.00 11.25 H new ATOM 331 N VAL A 19 7.561 -19.913 3.690 1.00 23.43 N ATOM 332 CA VAL A 19 8.443 -18.870 3.145 1.00 45.00 C ATOM 333 C VAL A 19 9.454 -18.415 4.261 1.00 14.23 C ATOM 334 O VAL A 19 9.022 -17.959 5.329 1.00 3.43 O ATOM 335 CB VAL A 19 7.565 -17.682 2.528 1.00 51.12 C ATOM 336 CG1 VAL A 19 6.919 -18.111 1.206 1.00 73.51 C ATOM 337 CG2 VAL A 19 6.475 -17.221 3.489 1.00 74.24 C ATOM 0 H VAL A 19 6.629 -19.588 3.949 1.00 23.43 H new ATOM 0 HA VAL A 19 9.044 -19.253 2.320 1.00 45.00 H new ATOM 0 HB VAL A 19 8.246 -16.849 2.351 1.00 51.12 H new ATOM 0 HG11 VAL A 19 6.328 -17.287 0.806 1.00 73.51 H new ATOM 0 HG12 VAL A 19 7.697 -18.380 0.491 1.00 73.51 H new ATOM 0 HG13 VAL A 19 6.272 -18.971 1.379 1.00 73.51 H new ATOM 0 HG21 VAL A 19 5.903 -16.414 3.031 1.00 74.24 H new ATOM 0 HG22 VAL A 19 5.810 -18.055 3.712 1.00 74.24 H new ATOM 0 HG23 VAL A 19 6.931 -16.863 4.412 1.00 74.24 H new ATOM 347 N SER A 20 10.802 -18.609 4.049 1.00 22.24 N ATOM 348 CA SER A 20 11.825 -18.192 5.050 1.00 12.35 C ATOM 349 C SER A 20 12.089 -16.667 4.973 1.00 41.43 C ATOM 350 O SER A 20 11.822 -16.085 3.926 1.00 34.44 O ATOM 351 CB SER A 20 13.138 -19.023 4.825 1.00 32.10 C ATOM 352 OG SER A 20 12.972 -19.994 3.798 1.00 3.34 O ATOM 0 H SER A 20 11.188 -19.042 3.210 1.00 22.24 H new ATOM 0 HA SER A 20 11.453 -18.395 6.054 1.00 12.35 H new ATOM 0 HB2 SER A 20 13.955 -18.351 4.563 1.00 32.10 H new ATOM 0 HB3 SER A 20 13.419 -19.519 5.754 1.00 32.10 H new ATOM 0 HG SER A 20 13.807 -20.493 3.681 1.00 3.34 H new ATOM 358 N SER A 21 12.565 -16.019 6.094 1.00 24.04 N ATOM 359 CA SER A 21 12.797 -14.557 6.144 1.00 12.13 C ATOM 360 C SER A 21 13.614 -13.990 4.964 1.00 13.12 C ATOM 361 O SER A 21 13.215 -12.957 4.419 1.00 34.04 O ATOM 362 CB SER A 21 13.448 -14.174 7.486 1.00 42.51 C ATOM 363 OG SER A 21 13.573 -12.773 7.629 1.00 23.01 O ATOM 0 H SER A 21 12.790 -16.501 6.965 1.00 24.04 H new ATOM 0 HA SER A 21 11.813 -14.098 6.054 1.00 12.13 H new ATOM 0 HB2 SER A 21 12.850 -14.571 8.306 1.00 42.51 H new ATOM 0 HB3 SER A 21 14.433 -14.636 7.557 1.00 42.51 H new ATOM 0 HG SER A 21 13.988 -12.568 8.493 1.00 23.01 H new ATOM 369 N ARG A 22 14.744 -14.629 4.588 1.00 32.31 N ATOM 370 CA ARG A 22 15.477 -14.215 3.361 1.00 0.11 C ATOM 371 C ARG A 22 14.613 -14.199 2.029 1.00 4.12 C ATOM 372 O ARG A 22 14.686 -13.192 1.260 1.00 32.13 O ATOM 373 CB ARG A 22 16.891 -14.910 3.251 1.00 22.43 C ATOM 374 CG ARG A 22 17.376 -15.383 1.877 1.00 64.23 C ATOM 375 CD ARG A 22 17.024 -16.836 1.647 1.00 34.31 C ATOM 376 NE ARG A 22 18.215 -17.647 1.425 1.00 72.54 N ATOM 377 CZ ARG A 22 18.558 -18.721 2.146 1.00 22.21 C ATOM 378 NH1 ARG A 22 17.802 -19.139 3.169 1.00 62.22 N ATOM 379 NH2 ARG A 22 19.667 -19.380 1.832 1.00 15.15 N ATOM 0 H ARG A 22 15.162 -15.409 5.095 1.00 32.31 H new ATOM 0 HA ARG A 22 15.689 -13.153 3.487 1.00 0.11 H new ATOM 0 HB2 ARG A 22 17.633 -14.213 3.641 1.00 22.43 H new ATOM 0 HB3 ARG A 22 16.886 -15.774 3.915 1.00 22.43 H new ATOM 0 HG2 ARG A 22 16.926 -14.769 1.097 1.00 64.23 H new ATOM 0 HG3 ARG A 22 18.455 -15.251 1.803 1.00 64.23 H new ATOM 0 HD2 ARG A 22 16.477 -17.219 2.508 1.00 34.31 H new ATOM 0 HD3 ARG A 22 16.361 -16.919 0.786 1.00 34.31 H new ATOM 0 HE ARG A 22 18.834 -17.375 0.662 1.00 72.54 H new ATOM 0 HH11 ARG A 22 16.948 -18.637 3.411 1.00 62.22 H new ATOM 0 HH12 ARG A 22 18.080 -19.960 3.707 1.00 62.22 H new ATOM 0 HH21 ARG A 22 20.243 -19.066 1.051 1.00 15.15 H new ATOM 0 HH22 ARG A 22 19.943 -20.201 2.371 1.00 15.15 H new ATOM 393 N ASP A 23 13.751 -15.243 1.774 1.00 55.43 N ATOM 394 CA ASP A 23 12.871 -15.246 0.577 1.00 2.03 C ATOM 395 C ASP A 23 11.813 -14.104 0.667 1.00 43.43 C ATOM 396 O ASP A 23 11.553 -13.462 -0.377 1.00 31.05 O ATOM 397 CB ASP A 23 12.160 -16.628 0.257 1.00 64.15 C ATOM 398 CG ASP A 23 13.037 -17.872 0.413 1.00 42.50 C ATOM 399 OD1 ASP A 23 14.275 -17.755 0.475 1.00 12.51 O ATOM 400 OD2 ASP A 23 12.476 -18.990 0.444 1.00 73.55 O ATOM 0 H ASP A 23 13.657 -16.065 2.370 1.00 55.43 H new ATOM 0 HA ASP A 23 13.547 -15.073 -0.260 1.00 2.03 H new ATOM 0 HB2 ASP A 23 11.294 -16.731 0.911 1.00 64.15 H new ATOM 0 HB3 ASP A 23 11.785 -16.595 -0.766 1.00 64.15 H new ATOM 405 N VAL A 24 11.234 -13.793 1.907 1.00 33.22 N ATOM 406 CA VAL A 24 10.297 -12.676 2.041 1.00 0.05 C ATOM 407 C VAL A 24 11.002 -11.340 1.758 1.00 70.45 C ATOM 408 O VAL A 24 10.431 -10.521 1.008 1.00 31.14 O ATOM 409 CB VAL A 24 9.518 -12.592 3.421 1.00 70.40 C ATOM 410 CG1 VAL A 24 8.190 -11.966 3.204 1.00 63.44 C ATOM 411 CG2 VAL A 24 9.270 -13.917 4.148 1.00 12.40 C ATOM 0 H VAL A 24 11.417 -14.303 2.771 1.00 33.22 H new ATOM 0 HA VAL A 24 9.531 -12.877 1.292 1.00 0.05 H new ATOM 0 HB VAL A 24 10.183 -12.008 4.057 1.00 70.40 H new ATOM 0 HG11 VAL A 24 7.655 -11.909 4.152 1.00 63.44 H new ATOM 0 HG12 VAL A 24 8.323 -10.962 2.801 1.00 63.44 H new ATOM 0 HG13 VAL A 24 7.615 -12.567 2.499 1.00 63.44 H new ATOM 0 HG21 VAL A 24 8.730 -13.727 5.076 1.00 12.40 H new ATOM 0 HG22 VAL A 24 8.678 -14.576 3.512 1.00 12.40 H new ATOM 0 HG23 VAL A 24 10.225 -14.392 4.374 1.00 12.40 H new ATOM 421 N GLU A 25 12.250 -11.128 2.302 1.00 62.13 N ATOM 422 CA GLU A 25 13.021 -9.933 2.023 1.00 15.43 C ATOM 423 C GLU A 25 13.237 -9.755 0.519 1.00 12.54 C ATOM 424 O GLU A 25 12.864 -8.717 0.050 1.00 1.12 O ATOM 425 CB GLU A 25 14.384 -9.896 2.787 1.00 10.21 C ATOM 426 CG GLU A 25 14.768 -8.523 3.378 1.00 21.54 C ATOM 427 CD GLU A 25 14.702 -8.548 4.892 1.00 34.32 C ATOM 428 OE1 GLU A 25 13.586 -8.525 5.440 1.00 41.21 O ATOM 429 OE2 GLU A 25 15.776 -8.609 5.532 1.00 43.22 O ATOM 0 H GLU A 25 12.713 -11.786 2.929 1.00 62.13 H new ATOM 0 HA GLU A 25 12.431 -9.094 2.393 1.00 15.43 H new ATOM 0 HB2 GLU A 25 14.349 -10.625 3.596 1.00 10.21 H new ATOM 0 HB3 GLU A 25 15.173 -10.214 2.106 1.00 10.21 H new ATOM 0 HG2 GLU A 25 15.775 -8.254 3.058 1.00 21.54 H new ATOM 0 HG3 GLU A 25 14.096 -7.756 2.993 1.00 21.54 H new ATOM 436 N ASN A 26 13.757 -10.743 -0.277 1.00 61.53 N ATOM 437 CA ASN A 26 13.963 -10.460 -1.722 1.00 12.33 C ATOM 438 C ASN A 26 12.691 -10.496 -2.630 1.00 71.10 C ATOM 439 O ASN A 26 12.379 -9.447 -3.331 1.00 63.32 O ATOM 440 CB ASN A 26 15.080 -11.323 -2.330 1.00 43.10 C ATOM 441 CG ASN A 26 16.346 -10.520 -2.509 1.00 22.22 C ATOM 442 OD1 ASN A 26 16.622 -9.581 -1.761 1.00 63.13 O ATOM 443 ND2 ASN A 26 17.119 -10.866 -3.522 1.00 61.31 N ATOM 0 H ASN A 26 14.023 -11.677 0.035 1.00 61.53 H new ATOM 0 HA ASN A 26 14.268 -9.413 -1.716 1.00 12.33 H new ATOM 0 HB2 ASN A 26 15.276 -12.179 -1.684 1.00 43.10 H new ATOM 0 HB3 ASN A 26 14.756 -11.718 -3.293 1.00 43.10 H new ATOM 0 HD21 ASN A 26 17.979 -10.349 -3.707 1.00 61.31 H new ATOM 0 HD22 ASN A 26 16.856 -11.650 -4.119 1.00 61.31 H new ATOM 450 N GLU A 27 11.919 -11.629 -2.633 1.00 12.22 N ATOM 451 CA GLU A 27 10.713 -11.693 -3.462 1.00 21.20 C ATOM 452 C GLU A 27 9.700 -10.598 -3.079 1.00 24.10 C ATOM 453 O GLU A 27 9.181 -9.974 -3.987 1.00 24.34 O ATOM 454 CB GLU A 27 10.092 -13.113 -3.474 1.00 42.35 C ATOM 455 CG GLU A 27 9.214 -13.483 -4.698 1.00 71.24 C ATOM 456 CD GLU A 27 8.618 -14.875 -4.581 1.00 43.23 C ATOM 457 OE1 GLU A 27 7.592 -15.030 -3.892 1.00 33.43 O ATOM 458 OE2 GLU A 27 9.160 -15.815 -5.206 1.00 2.34 O ATOM 0 H GLU A 27 12.115 -12.468 -2.087 1.00 12.22 H new ATOM 0 HA GLU A 27 11.012 -11.487 -4.490 1.00 21.20 H new ATOM 0 HB2 GLU A 27 10.903 -13.839 -3.406 1.00 42.35 H new ATOM 0 HB3 GLU A 27 9.486 -13.226 -2.575 1.00 42.35 H new ATOM 0 HG2 GLU A 27 8.410 -12.754 -4.799 1.00 71.24 H new ATOM 0 HG3 GLU A 27 9.815 -13.423 -5.605 1.00 71.24 H new ATOM 465 N PHE A 28 9.467 -10.255 -1.783 1.00 53.44 N ATOM 466 CA PHE A 28 8.584 -9.121 -1.533 1.00 11.05 C ATOM 467 C PHE A 28 9.294 -7.720 -1.645 1.00 33.02 C ATOM 468 O PHE A 28 8.579 -6.737 -1.853 1.00 33.32 O ATOM 469 CB PHE A 28 7.705 -9.289 -0.244 1.00 54.22 C ATOM 470 CG PHE A 28 6.555 -10.312 -0.345 1.00 53.23 C ATOM 471 CD1 PHE A 28 5.340 -9.963 -0.943 1.00 74.15 C ATOM 472 CD2 PHE A 28 6.666 -11.619 0.157 1.00 52.44 C ATOM 473 CE1 PHE A 28 4.304 -10.868 -1.036 1.00 51.43 C ATOM 474 CE2 PHE A 28 5.609 -12.511 0.057 1.00 14.24 C ATOM 475 CZ PHE A 28 4.440 -12.136 -0.542 1.00 1.41 C ATOM 0 H PHE A 28 9.853 -10.718 -0.960 1.00 53.44 H new ATOM 0 HA PHE A 28 7.875 -9.129 -2.361 1.00 11.05 H new ATOM 0 HB2 PHE A 28 8.355 -9.581 0.581 1.00 54.22 H new ATOM 0 HB3 PHE A 28 7.281 -8.318 0.013 1.00 54.22 H new ATOM 0 HD1 PHE A 28 5.211 -8.967 -1.339 1.00 74.15 H new ATOM 0 HD2 PHE A 28 7.586 -11.933 0.627 1.00 52.44 H new ATOM 0 HE1 PHE A 28 3.376 -10.573 -1.503 1.00 51.43 H new ATOM 0 HE2 PHE A 28 5.711 -13.510 0.456 1.00 14.24 H new ATOM 0 HZ PHE A 28 3.625 -12.839 -0.625 1.00 1.41 H new ATOM 485 N ARG A 29 10.680 -7.606 -1.510 1.00 30.01 N ATOM 486 CA ARG A 29 11.418 -6.307 -1.843 1.00 71.13 C ATOM 487 C ARG A 29 11.229 -5.878 -3.292 1.00 33.10 C ATOM 488 O ARG A 29 11.321 -4.670 -3.560 1.00 11.41 O ATOM 489 CB ARG A 29 12.957 -6.200 -1.480 1.00 13.44 C ATOM 490 CG ARG A 29 13.986 -6.998 -2.327 1.00 41.54 C ATOM 491 CD ARG A 29 14.611 -6.257 -3.529 1.00 22.24 C ATOM 492 NE ARG A 29 15.968 -5.781 -3.234 1.00 65.12 N ATOM 493 CZ ARG A 29 16.741 -5.109 -4.106 1.00 62.33 C ATOM 494 NH1 ARG A 29 16.295 -4.818 -5.330 1.00 21.52 N ATOM 495 NH2 ARG A 29 17.976 -4.750 -3.750 1.00 62.33 N ATOM 0 H ARG A 29 11.284 -8.362 -1.188 1.00 30.01 H new ATOM 0 HA ARG A 29 10.920 -5.625 -1.154 1.00 71.13 H new ATOM 0 HB2 ARG A 29 13.235 -5.147 -1.530 1.00 13.44 H new ATOM 0 HB3 ARG A 29 13.073 -6.511 -0.442 1.00 13.44 H new ATOM 0 HG2 ARG A 29 14.792 -7.321 -1.669 1.00 41.54 H new ATOM 0 HG3 ARG A 29 13.497 -7.899 -2.698 1.00 41.54 H new ATOM 0 HD2 ARG A 29 14.640 -6.923 -4.391 1.00 22.24 H new ATOM 0 HD3 ARG A 29 13.981 -5.410 -3.801 1.00 22.24 H new ATOM 0 HE ARG A 29 16.350 -5.972 -2.308 1.00 65.12 H new ATOM 0 HH11 ARG A 29 15.358 -5.106 -5.613 1.00 21.52 H new ATOM 0 HH12 ARG A 29 16.891 -4.308 -5.982 1.00 21.52 H new ATOM 0 HH21 ARG A 29 18.328 -4.985 -2.822 1.00 62.33 H new ATOM 0 HH22 ARG A 29 18.568 -4.240 -4.406 1.00 62.33 H new ATOM 509 N LYS A 30 11.004 -6.803 -4.255 1.00 35.41 N ATOM 510 CA LYS A 30 10.610 -6.231 -5.591 1.00 5.52 C ATOM 511 C LYS A 30 9.157 -5.747 -5.636 1.00 74.22 C ATOM 512 O LYS A 30 8.882 -4.749 -6.292 1.00 52.33 O ATOM 513 CB LYS A 30 10.898 -7.041 -6.915 1.00 21.24 C ATOM 514 CG LYS A 30 10.049 -8.294 -7.189 1.00 1.14 C ATOM 515 CD LYS A 30 9.188 -8.198 -8.484 1.00 43.31 C ATOM 516 CE LYS A 30 7.982 -7.232 -8.434 1.00 3.12 C ATOM 517 NZ LYS A 30 7.308 -7.199 -9.763 1.00 65.14 N ATOM 0 H LYS A 30 11.072 -7.817 -4.173 1.00 35.41 H new ATOM 0 HA LYS A 30 11.327 -5.410 -5.618 1.00 5.52 H new ATOM 0 HB2 LYS A 30 10.773 -6.361 -7.758 1.00 21.24 H new ATOM 0 HB3 LYS A 30 11.945 -7.343 -6.902 1.00 21.24 H new ATOM 0 HG2 LYS A 30 10.708 -9.159 -7.265 1.00 1.14 H new ATOM 0 HG3 LYS A 30 9.391 -8.469 -6.338 1.00 1.14 H new ATOM 0 HD2 LYS A 30 9.837 -7.893 -9.305 1.00 43.31 H new ATOM 0 HD3 LYS A 30 8.818 -9.195 -8.724 1.00 43.31 H new ATOM 0 HE2 LYS A 30 7.278 -7.554 -7.667 1.00 3.12 H new ATOM 0 HE3 LYS A 30 8.317 -6.231 -8.160 1.00 3.12 H new ATOM 0 HZ1 LYS A 30 6.498 -6.548 -9.725 1.00 65.14 H new ATOM 0 HZ2 LYS A 30 7.981 -6.872 -10.486 1.00 65.14 H new ATOM 0 HZ3 LYS A 30 6.975 -8.153 -10.007 1.00 65.14 H new ATOM 531 N TYR A 31 8.240 -6.432 -4.967 1.00 23.12 N ATOM 532 CA TYR A 31 6.823 -6.225 -5.236 1.00 53.41 C ATOM 533 C TYR A 31 6.275 -4.906 -4.600 1.00 20.34 C ATOM 534 O TYR A 31 5.571 -4.168 -5.273 1.00 52.01 O ATOM 535 CB TYR A 31 6.058 -7.484 -4.762 1.00 5.13 C ATOM 536 CG TYR A 31 5.976 -8.648 -5.787 1.00 22.30 C ATOM 537 CD1 TYR A 31 5.132 -8.615 -6.914 1.00 33.45 C ATOM 538 CD2 TYR A 31 6.782 -9.790 -5.645 1.00 3.35 C ATOM 539 CE1 TYR A 31 5.131 -9.659 -7.842 1.00 33.41 C ATOM 540 CE2 TYR A 31 6.752 -10.825 -6.556 1.00 23.13 C ATOM 541 CZ TYR A 31 5.943 -10.747 -7.643 1.00 41.15 C ATOM 542 OH TYR A 31 5.976 -11.748 -8.578 1.00 22.15 O ATOM 0 H TYR A 31 8.445 -7.124 -4.246 1.00 23.12 H new ATOM 0 HA TYR A 31 6.671 -6.091 -6.307 1.00 53.41 H new ATOM 0 HB2 TYR A 31 6.534 -7.856 -3.855 1.00 5.13 H new ATOM 0 HB3 TYR A 31 5.044 -7.190 -4.492 1.00 5.13 H new ATOM 0 HD1 TYR A 31 4.476 -7.770 -7.063 1.00 33.45 H new ATOM 0 HD2 TYR A 31 7.446 -9.860 -4.796 1.00 3.35 H new ATOM 0 HE1 TYR A 31 4.494 -9.610 -8.713 1.00 33.41 H new ATOM 0 HE2 TYR A 31 7.372 -11.697 -6.405 1.00 23.13 H new ATOM 0 HH TYR A 31 5.072 -11.903 -8.923 1.00 22.15 H new ATOM 552 N GLY A 32 6.624 -4.594 -3.349 1.00 31.21 N ATOM 553 CA GLY A 32 6.707 -3.204 -2.899 1.00 43.00 C ATOM 554 C GLY A 32 8.014 -2.961 -2.146 1.00 11.42 C ATOM 555 O GLY A 32 8.825 -3.874 -2.055 1.00 72.35 O ATOM 0 H GLY A 32 6.853 -5.283 -2.633 1.00 31.21 H new ATOM 0 HA2 GLY A 32 6.645 -2.534 -3.756 1.00 43.00 H new ATOM 0 HA3 GLY A 32 5.860 -2.974 -2.253 1.00 43.00 H new ATOM 559 N ASN A 33 8.247 -1.762 -1.577 1.00 31.35 N ATOM 560 CA ASN A 33 9.506 -1.563 -0.834 1.00 61.22 C ATOM 561 C ASN A 33 9.322 -2.014 0.620 1.00 54.05 C ATOM 562 O ASN A 33 8.745 -1.274 1.417 1.00 63.12 O ATOM 563 CB ASN A 33 10.062 -0.114 -0.865 1.00 21.14 C ATOM 564 CG ASN A 33 10.349 0.397 -2.260 1.00 54.12 C ATOM 565 OD1 ASN A 33 11.442 0.203 -2.790 1.00 31.14 O ATOM 566 ND2 ASN A 33 9.388 1.085 -2.858 1.00 11.43 N ATOM 0 H ASN A 33 7.620 -0.958 -1.612 1.00 31.35 H new ATOM 0 HA ASN A 33 10.250 -2.173 -1.347 1.00 61.22 H new ATOM 0 HB2 ASN A 33 9.345 0.551 -0.384 1.00 21.14 H new ATOM 0 HB3 ASN A 33 10.979 -0.073 -0.277 1.00 21.14 H new ATOM 0 HD21 ASN A 33 9.542 1.474 -3.788 1.00 11.43 H new ATOM 0 HD22 ASN A 33 8.494 1.226 -2.388 1.00 11.43 H new ATOM 573 N ILE A 34 9.754 -3.251 0.956 1.00 64.31 N ATOM 574 CA ILE A 34 9.583 -3.776 2.349 1.00 60.41 C ATOM 575 C ILE A 34 10.585 -3.158 3.369 1.00 52.32 C ATOM 576 O ILE A 34 11.758 -2.929 3.046 1.00 1.03 O ATOM 577 CB ILE A 34 9.514 -5.368 2.463 1.00 51.13 C ATOM 578 CG1 ILE A 34 10.118 -5.944 3.775 1.00 72.10 C ATOM 579 CG2 ILE A 34 10.141 -6.030 1.271 1.00 54.43 C ATOM 580 CD1 ILE A 34 11.628 -6.245 3.785 1.00 13.21 C ATOM 0 H ILE A 34 10.211 -3.895 0.311 1.00 64.31 H new ATOM 0 HA ILE A 34 8.589 -3.429 2.632 1.00 60.41 H new ATOM 0 HB ILE A 34 8.449 -5.600 2.490 1.00 51.13 H new ATOM 0 HG12 ILE A 34 9.909 -5.239 4.580 1.00 72.10 H new ATOM 0 HG13 ILE A 34 9.589 -6.867 4.013 1.00 72.10 H new ATOM 0 HG21 ILE A 34 10.077 -7.113 1.381 1.00 54.43 H new ATOM 0 HG22 ILE A 34 9.614 -5.725 0.367 1.00 54.43 H new ATOM 0 HG23 ILE A 34 11.187 -5.734 1.199 1.00 54.43 H new ATOM 0 HD11 ILE A 34 11.914 -6.641 4.760 1.00 13.21 H new ATOM 0 HD12 ILE A 34 11.858 -6.980 3.013 1.00 13.21 H new ATOM 0 HD13 ILE A 34 12.183 -5.328 3.589 1.00 13.21 H new ATOM 592 N LEU A 35 10.094 -2.881 4.604 1.00 41.02 N ATOM 593 CA LEU A 35 10.911 -2.303 5.668 1.00 14.31 C ATOM 594 C LEU A 35 11.190 -3.363 6.767 1.00 60.32 C ATOM 595 O LEU A 35 12.195 -3.267 7.484 1.00 42.45 O ATOM 596 CB LEU A 35 10.301 -0.980 6.237 1.00 74.51 C ATOM 597 CG LEU A 35 10.636 0.321 5.446 1.00 35.22 C ATOM 598 CD1 LEU A 35 10.139 0.314 4.005 1.00 15.44 C ATOM 599 CD2 LEU A 35 10.069 1.527 6.154 1.00 15.32 C ATOM 0 H LEU A 35 9.126 -3.056 4.875 1.00 41.02 H new ATOM 0 HA LEU A 35 11.870 -2.013 5.240 1.00 14.31 H new ATOM 0 HB2 LEU A 35 9.217 -1.090 6.275 1.00 74.51 H new ATOM 0 HB3 LEU A 35 10.645 -0.856 7.264 1.00 74.51 H new ATOM 0 HG LEU A 35 11.724 0.368 5.409 1.00 35.22 H new ATOM 0 HD11 LEU A 35 10.411 1.253 3.522 1.00 15.44 H new ATOM 0 HD12 LEU A 35 10.596 -0.517 3.467 1.00 15.44 H new ATOM 0 HD13 LEU A 35 9.055 0.201 3.995 1.00 15.44 H new ATOM 0 HD21 LEU A 35 10.311 2.427 5.590 1.00 15.32 H new ATOM 0 HD22 LEU A 35 8.986 1.428 6.232 1.00 15.32 H new ATOM 0 HD23 LEU A 35 10.499 1.598 7.153 1.00 15.32 H new ATOM 611 N LYS A 36 10.300 -4.388 6.869 1.00 42.42 N ATOM 612 CA LYS A 36 10.301 -5.378 7.981 1.00 45.21 C ATOM 613 C LYS A 36 9.594 -6.716 7.528 1.00 25.05 C ATOM 614 O LYS A 36 8.574 -6.653 6.842 1.00 44.14 O ATOM 615 CB LYS A 36 9.557 -4.707 9.162 1.00 34.44 C ATOM 616 CG LYS A 36 9.834 -5.232 10.573 1.00 0.42 C ATOM 617 CD LYS A 36 8.918 -6.391 10.962 1.00 43.34 C ATOM 618 CE LYS A 36 8.509 -6.327 12.434 1.00 44.21 C ATOM 619 NZ LYS A 36 7.703 -5.106 12.726 1.00 1.14 N ATOM 0 H LYS A 36 9.563 -4.551 6.183 1.00 42.42 H new ATOM 0 HA LYS A 36 11.314 -5.652 8.277 1.00 45.21 H new ATOM 0 HB2 LYS A 36 9.797 -3.644 9.148 1.00 34.44 H new ATOM 0 HB3 LYS A 36 8.487 -4.795 8.976 1.00 34.44 H new ATOM 0 HG2 LYS A 36 10.872 -5.558 10.638 1.00 0.42 H new ATOM 0 HG3 LYS A 36 9.709 -4.420 11.289 1.00 0.42 H new ATOM 0 HD2 LYS A 36 8.026 -6.374 10.336 1.00 43.34 H new ATOM 0 HD3 LYS A 36 9.426 -7.336 10.767 1.00 43.34 H new ATOM 0 HE2 LYS A 36 7.932 -7.215 12.691 1.00 44.21 H new ATOM 0 HE3 LYS A 36 9.401 -6.334 13.061 1.00 44.21 H new ATOM 0 HZ1 LYS A 36 7.030 -5.309 13.492 1.00 1.14 H new ATOM 0 HZ2 LYS A 36 8.336 -4.334 13.017 1.00 1.14 H new ATOM 0 HZ3 LYS A 36 7.181 -4.822 11.873 1.00 1.14 H new ATOM 633 N CYS A 37 10.125 -7.917 7.906 1.00 73.10 N ATOM 634 CA CYS A 37 9.488 -9.237 7.557 1.00 63.43 C ATOM 635 C CYS A 37 9.587 -10.127 8.771 1.00 75.31 C ATOM 636 O CYS A 37 10.700 -10.505 9.154 1.00 55.13 O ATOM 637 CB CYS A 37 10.191 -10.014 6.397 1.00 31.24 C ATOM 638 SG CYS A 37 10.352 -9.139 4.843 1.00 62.13 S ATOM 0 H CYS A 37 10.985 -8.004 8.448 1.00 73.10 H new ATOM 0 HA CYS A 37 8.471 -9.008 7.238 1.00 63.43 H new ATOM 0 HB2 CYS A 37 11.187 -10.303 6.732 1.00 31.24 H new ATOM 0 HB3 CYS A 37 9.636 -10.935 6.216 1.00 31.24 H new ATOM 0 HG CYS A 37 11.591 -8.787 4.670 1.00 62.13 H new ATOM 644 N ASP A 38 8.475 -10.461 9.413 1.00 10.13 N ATOM 645 CA ASP A 38 8.624 -11.413 10.543 1.00 1.30 C ATOM 646 C ASP A 38 7.849 -12.712 10.297 1.00 73.53 C ATOM 647 O ASP A 38 6.731 -12.687 9.811 1.00 25.53 O ATOM 648 CB ASP A 38 8.204 -10.782 11.861 1.00 43.52 C ATOM 649 CG ASP A 38 9.004 -11.319 13.031 1.00 35.34 C ATOM 650 OD1 ASP A 38 8.619 -12.356 13.596 1.00 14.31 O ATOM 651 OD2 ASP A 38 10.019 -10.692 13.391 1.00 24.03 O ATOM 0 H ASP A 38 7.532 -10.131 9.209 1.00 10.13 H new ATOM 0 HA ASP A 38 9.683 -11.663 10.608 1.00 1.30 H new ATOM 0 HB2 ASP A 38 8.331 -9.701 11.801 1.00 43.52 H new ATOM 0 HB3 ASP A 38 7.144 -10.970 12.031 1.00 43.52 H new ATOM 656 N VAL A 39 8.462 -13.857 10.609 1.00 43.43 N ATOM 657 CA VAL A 39 7.819 -15.152 10.406 1.00 22.31 C ATOM 658 C VAL A 39 7.789 -15.914 11.732 1.00 40.21 C ATOM 659 O VAL A 39 8.819 -16.322 12.272 1.00 25.12 O ATOM 660 CB VAL A 39 8.464 -15.966 9.164 1.00 24.05 C ATOM 661 CG1 VAL A 39 9.971 -15.776 9.091 1.00 25.11 C ATOM 662 CG2 VAL A 39 8.232 -17.501 9.130 1.00 35.41 C ATOM 0 H VAL A 39 9.402 -13.911 11.002 1.00 43.43 H new ATOM 0 HA VAL A 39 6.782 -15.008 10.104 1.00 22.31 H new ATOM 0 HB VAL A 39 7.928 -15.530 8.321 1.00 24.05 H new ATOM 0 HG11 VAL A 39 10.368 -16.337 8.245 1.00 25.11 H new ATOM 0 HG12 VAL A 39 10.199 -14.718 8.963 1.00 25.11 H new ATOM 0 HG13 VAL A 39 10.428 -16.137 10.012 1.00 25.11 H new ATOM 0 HG21 VAL A 39 8.715 -17.923 8.249 1.00 35.41 H new ATOM 0 HG22 VAL A 39 8.655 -17.953 10.027 1.00 35.41 H new ATOM 0 HG23 VAL A 39 7.162 -17.707 9.090 1.00 35.41 H new ATOM 672 N LYS A 40 6.578 -16.079 12.254 1.00 23.31 N ATOM 673 CA LYS A 40 6.358 -16.634 13.583 1.00 51.34 C ATOM 674 C LYS A 40 5.591 -17.986 13.460 1.00 5.24 C ATOM 675 O LYS A 40 4.862 -18.160 12.481 1.00 51.24 O ATOM 676 CB LYS A 40 5.576 -15.561 14.377 1.00 21.43 C ATOM 677 CG LYS A 40 6.397 -14.310 14.704 1.00 22.53 C ATOM 678 CD LYS A 40 6.173 -13.857 16.149 1.00 32.10 C ATOM 679 CE LYS A 40 6.542 -12.392 16.373 1.00 0.44 C ATOM 680 NZ LYS A 40 6.704 -12.099 17.821 1.00 74.53 N ATOM 0 H LYS A 40 5.719 -15.830 11.764 1.00 23.31 H new ATOM 0 HA LYS A 40 7.286 -16.862 14.107 1.00 51.34 H new ATOM 0 HB2 LYS A 40 4.697 -15.267 13.803 1.00 21.43 H new ATOM 0 HB3 LYS A 40 5.217 -16.001 15.307 1.00 21.43 H new ATOM 0 HG2 LYS A 40 7.456 -14.516 14.546 1.00 22.53 H new ATOM 0 HG3 LYS A 40 6.123 -13.505 14.022 1.00 22.53 H new ATOM 0 HD2 LYS A 40 5.127 -14.008 16.414 1.00 32.10 H new ATOM 0 HD3 LYS A 40 6.765 -14.482 16.817 1.00 32.10 H new ATOM 0 HE2 LYS A 40 7.468 -12.162 15.846 1.00 0.44 H new ATOM 0 HE3 LYS A 40 5.768 -11.750 15.953 1.00 0.44 H new ATOM 0 HZ1 LYS A 40 6.955 -11.097 17.947 1.00 74.53 H new ATOM 0 HZ2 LYS A 40 5.812 -12.298 18.317 1.00 74.53 H new ATOM 0 HZ3 LYS A 40 7.459 -12.697 18.214 1.00 74.53 H new ATOM 694 N LYS A 41 5.729 -18.963 14.410 1.00 34.24 N ATOM 695 CA LYS A 41 5.112 -20.296 14.174 1.00 73.13 C ATOM 696 C LYS A 41 4.245 -20.679 15.419 1.00 50.31 C ATOM 697 O LYS A 41 4.588 -20.253 16.525 1.00 33.34 O ATOM 698 CB LYS A 41 6.200 -21.422 13.771 1.00 1.34 C ATOM 699 CG LYS A 41 6.853 -22.228 14.924 1.00 60.55 C ATOM 700 CD LYS A 41 7.537 -21.343 15.969 1.00 61.33 C ATOM 701 CE LYS A 41 8.617 -20.440 15.373 1.00 21.35 C ATOM 702 NZ LYS A 41 9.649 -20.060 16.370 1.00 34.23 N ATOM 0 H LYS A 41 6.231 -18.860 15.292 1.00 34.24 H new ATOM 0 HA LYS A 41 4.455 -20.240 13.306 1.00 73.13 H new ATOM 0 HB2 LYS A 41 5.718 -22.130 13.096 1.00 1.34 H new ATOM 0 HB3 LYS A 41 6.996 -20.935 13.207 1.00 1.34 H new ATOM 0 HG2 LYS A 41 6.089 -22.832 15.414 1.00 60.55 H new ATOM 0 HG3 LYS A 41 7.586 -22.918 14.506 1.00 60.55 H new ATOM 0 HD2 LYS A 41 6.786 -20.725 16.461 1.00 61.33 H new ATOM 0 HD3 LYS A 41 7.983 -21.975 16.737 1.00 61.33 H new ATOM 0 HE2 LYS A 41 9.094 -20.951 14.537 1.00 21.35 H new ATOM 0 HE3 LYS A 41 8.153 -19.539 14.972 1.00 21.35 H new ATOM 0 HZ1 LYS A 41 10.359 -19.448 15.919 1.00 34.23 H new ATOM 0 HZ2 LYS A 41 9.200 -19.548 17.156 1.00 34.23 H new ATOM 0 HZ3 LYS A 41 10.112 -20.917 16.734 1.00 34.23 H new ATOM 716 N THR A 42 3.099 -21.403 15.273 1.00 52.21 N ATOM 717 CA THR A 42 2.365 -21.846 16.460 1.00 52.23 C ATOM 718 C THR A 42 2.666 -23.348 16.772 1.00 11.53 C ATOM 719 O THR A 42 3.360 -24.008 15.994 1.00 23.41 O ATOM 720 CB THR A 42 0.817 -21.578 16.352 1.00 30.22 C ATOM 721 OG1 THR A 42 0.205 -21.648 17.648 1.00 34.13 O ATOM 722 CG2 THR A 42 0.085 -22.555 15.416 1.00 51.24 C ATOM 0 H THR A 42 2.689 -21.675 14.379 1.00 52.21 H new ATOM 0 HA THR A 42 2.721 -21.245 17.297 1.00 52.23 H new ATOM 0 HB THR A 42 0.723 -20.579 15.927 1.00 30.22 H new ATOM 0 HG1 THR A 42 -0.757 -21.478 17.565 1.00 34.13 H new ATOM 0 HG21 THR A 42 -0.977 -22.309 15.392 1.00 51.24 H new ATOM 0 HG22 THR A 42 0.499 -22.475 14.411 1.00 51.24 H new ATOM 0 HG23 THR A 42 0.213 -23.574 15.781 1.00 51.24 H new ATOM 730 N VAL A 43 2.130 -23.882 17.905 1.00 14.25 N ATOM 731 CA VAL A 43 2.405 -25.266 18.370 1.00 62.34 C ATOM 732 C VAL A 43 1.578 -26.331 17.588 1.00 33.43 C ATOM 733 O VAL A 43 1.825 -27.536 17.713 1.00 20.33 O ATOM 734 CB VAL A 43 2.196 -25.425 19.935 1.00 15.51 C ATOM 735 CG1 VAL A 43 3.091 -26.527 20.492 1.00 70.25 C ATOM 736 CG2 VAL A 43 2.449 -24.115 20.708 1.00 72.42 C ATOM 0 H VAL A 43 1.498 -23.365 18.517 1.00 14.25 H new ATOM 0 HA VAL A 43 3.458 -25.450 18.157 1.00 62.34 H new ATOM 0 HB VAL A 43 1.149 -25.694 20.077 1.00 15.51 H new ATOM 0 HG11 VAL A 43 2.931 -26.618 21.566 1.00 70.25 H new ATOM 0 HG12 VAL A 43 2.848 -27.473 20.008 1.00 70.25 H new ATOM 0 HG13 VAL A 43 4.135 -26.279 20.301 1.00 70.25 H new ATOM 0 HG21 VAL A 43 2.291 -24.285 21.773 1.00 72.42 H new ATOM 0 HG22 VAL A 43 3.475 -23.786 20.541 1.00 72.42 H new ATOM 0 HG23 VAL A 43 1.760 -23.347 20.357 1.00 72.42 H new ATOM 746 N SER A 44 0.625 -25.879 16.753 1.00 25.13 N ATOM 747 CA SER A 44 -0.289 -26.771 16.026 1.00 74.22 C ATOM 748 C SER A 44 0.326 -27.175 14.665 1.00 22.33 C ATOM 749 O SER A 44 -0.304 -27.870 13.864 1.00 24.21 O ATOM 750 CB SER A 44 -1.654 -26.060 15.813 1.00 11.44 C ATOM 751 OG SER A 44 -2.688 -26.969 15.471 1.00 24.41 O ATOM 0 H SER A 44 0.469 -24.889 16.565 1.00 25.13 H new ATOM 0 HA SER A 44 -0.448 -27.675 16.614 1.00 74.22 H new ATOM 0 HB2 SER A 44 -1.929 -25.526 16.723 1.00 11.44 H new ATOM 0 HB3 SER A 44 -1.553 -25.314 15.024 1.00 11.44 H new ATOM 0 HG SER A 44 -2.345 -27.630 14.834 1.00 24.41 H new ATOM 757 N GLY A 45 1.580 -26.748 14.425 1.00 75.04 N ATOM 758 CA GLY A 45 2.257 -27.028 13.157 1.00 15.10 C ATOM 759 C GLY A 45 1.902 -26.073 12.010 1.00 22.41 C ATOM 760 O GLY A 45 2.518 -26.142 10.945 1.00 72.32 O ATOM 0 H GLY A 45 2.137 -26.212 15.091 1.00 75.04 H new ATOM 0 HA2 GLY A 45 3.334 -26.991 13.321 1.00 15.10 H new ATOM 0 HA3 GLY A 45 2.016 -28.046 12.850 1.00 15.10 H new ATOM 764 N ALA A 46 0.920 -25.186 12.215 1.00 72.13 N ATOM 765 CA ALA A 46 0.609 -24.131 11.248 1.00 33.23 C ATOM 766 C ALA A 46 1.631 -22.967 11.394 1.00 20.25 C ATOM 767 O ALA A 46 1.889 -22.497 12.506 1.00 23.33 O ATOM 768 CB ALA A 46 -0.859 -23.668 11.425 1.00 53.12 C ATOM 0 H ALA A 46 0.327 -25.180 13.045 1.00 72.13 H new ATOM 0 HA ALA A 46 0.701 -24.513 10.231 1.00 33.23 H new ATOM 0 HB1 ALA A 46 -1.083 -22.883 10.702 1.00 53.12 H new ATOM 0 HB2 ALA A 46 -1.529 -24.512 11.263 1.00 53.12 H new ATOM 0 HB3 ALA A 46 -1.000 -23.282 12.435 1.00 53.12 H new ATOM 774 N ALA A 47 2.216 -22.513 10.273 1.00 24.42 N ATOM 775 CA ALA A 47 3.300 -21.514 10.297 1.00 30.04 C ATOM 776 C ALA A 47 2.820 -20.237 9.595 1.00 14.04 C ATOM 777 O ALA A 47 2.042 -20.342 8.640 1.00 14.14 O ATOM 778 CB ALA A 47 4.609 -22.074 9.677 1.00 32.44 C ATOM 0 H ALA A 47 1.956 -22.822 9.336 1.00 24.42 H new ATOM 0 HA ALA A 47 3.543 -21.270 11.331 1.00 30.04 H new ATOM 0 HB1 ALA A 47 5.385 -21.309 9.713 1.00 32.44 H new ATOM 0 HB2 ALA A 47 4.935 -22.947 10.242 1.00 32.44 H new ATOM 0 HB3 ALA A 47 4.428 -22.359 8.641 1.00 32.44 H new ATOM 784 N PHE A 48 3.252 -19.025 10.035 1.00 20.34 N ATOM 785 CA PHE A 48 2.679 -17.802 9.460 1.00 13.43 C ATOM 786 C PHE A 48 3.774 -16.842 8.976 1.00 45.24 C ATOM 787 O PHE A 48 4.863 -16.817 9.555 1.00 63.44 O ATOM 788 CB PHE A 48 1.908 -17.054 10.567 1.00 44.31 C ATOM 789 CG PHE A 48 1.013 -17.915 11.391 1.00 12.13 C ATOM 790 CD1 PHE A 48 -0.242 -18.251 10.937 1.00 44.31 C ATOM 791 CD2 PHE A 48 1.426 -18.382 12.623 1.00 11.54 C ATOM 792 CE1 PHE A 48 -1.063 -19.051 11.684 1.00 23.22 C ATOM 793 CE2 PHE A 48 0.620 -19.172 13.373 1.00 34.11 C ATOM 794 CZ PHE A 48 -0.637 -19.517 12.912 1.00 41.52 C ATOM 0 H PHE A 48 3.962 -18.881 10.753 1.00 20.34 H new ATOM 0 HA PHE A 48 2.043 -18.094 8.624 1.00 13.43 H new ATOM 0 HB2 PHE A 48 2.627 -16.565 11.225 1.00 44.31 H new ATOM 0 HB3 PHE A 48 1.310 -16.267 10.107 1.00 44.31 H new ATOM 0 HD1 PHE A 48 -0.582 -17.880 9.982 1.00 44.31 H new ATOM 0 HD2 PHE A 48 2.404 -18.114 12.994 1.00 11.54 H new ATOM 0 HE1 PHE A 48 -2.042 -19.317 11.314 1.00 23.22 H new ATOM 0 HE2 PHE A 48 0.960 -19.533 14.332 1.00 34.11 H new ATOM 0 HZ PHE A 48 -1.281 -20.146 13.508 1.00 41.52 H new ATOM 804 N ALA A 49 3.496 -16.058 7.913 1.00 54.10 N ATOM 805 CA ALA A 49 4.395 -14.952 7.538 1.00 31.32 C ATOM 806 C ALA A 49 3.693 -13.602 7.483 1.00 24.43 C ATOM 807 O ALA A 49 2.514 -13.502 7.144 1.00 33.55 O ATOM 808 CB ALA A 49 5.223 -15.247 6.271 1.00 25.42 C ATOM 0 H ALA A 49 2.677 -16.167 7.314 1.00 54.10 H new ATOM 0 HA ALA A 49 5.116 -14.878 8.352 1.00 31.32 H new ATOM 0 HB1 ALA A 49 5.864 -14.394 6.049 1.00 25.42 H new ATOM 0 HB2 ALA A 49 5.839 -16.131 6.437 1.00 25.42 H new ATOM 0 HB3 ALA A 49 4.552 -15.425 5.431 1.00 25.42 H new ATOM 814 N PHE A 50 4.447 -12.566 7.848 1.00 11.31 N ATOM 815 CA PHE A 50 3.908 -11.270 8.159 1.00 44.54 C ATOM 816 C PHE A 50 4.783 -10.267 7.400 1.00 14.25 C ATOM 817 O PHE A 50 5.999 -10.146 7.735 1.00 63.30 O ATOM 818 CB PHE A 50 4.018 -11.053 9.691 1.00 32.34 C ATOM 819 CG PHE A 50 2.908 -10.267 10.340 1.00 72.00 C ATOM 820 CD1 PHE A 50 2.033 -9.469 9.614 1.00 12.13 C ATOM 821 CD2 PHE A 50 2.740 -10.350 11.713 1.00 74.25 C ATOM 822 CE1 PHE A 50 1.025 -8.772 10.250 1.00 41.21 C ATOM 823 CE2 PHE A 50 1.735 -9.651 12.350 1.00 65.03 C ATOM 824 CZ PHE A 50 0.875 -8.864 11.618 1.00 22.31 C ATOM 0 H PHE A 50 5.462 -12.618 7.933 1.00 11.31 H new ATOM 0 HA PHE A 50 2.861 -11.160 7.875 1.00 44.54 H new ATOM 0 HB2 PHE A 50 4.070 -12.030 10.171 1.00 32.34 H new ATOM 0 HB3 PHE A 50 4.961 -10.546 9.897 1.00 32.34 H new ATOM 0 HD1 PHE A 50 2.142 -9.393 8.542 1.00 12.13 H new ATOM 0 HD2 PHE A 50 3.406 -10.971 12.294 1.00 74.25 H new ATOM 0 HE1 PHE A 50 0.352 -8.153 9.675 1.00 41.21 H new ATOM 0 HE2 PHE A 50 1.623 -9.721 13.422 1.00 65.03 H new ATOM 0 HZ PHE A 50 0.085 -8.320 12.114 1.00 22.31 H new ATOM 834 N ILE A 51 4.218 -9.527 6.411 1.00 24.31 N ATOM 835 CA ILE A 51 5.124 -8.730 5.505 1.00 10.21 C ATOM 836 C ILE A 51 4.804 -7.246 5.568 1.00 14.41 C ATOM 837 O ILE A 51 3.808 -6.803 5.014 1.00 21.41 O ATOM 838 CB ILE A 51 5.119 -9.160 3.984 1.00 24.03 C ATOM 839 CG1 ILE A 51 5.043 -10.701 3.775 1.00 61.41 C ATOM 840 CG2 ILE A 51 6.394 -8.648 3.320 1.00 42.15 C ATOM 841 CD1 ILE A 51 3.658 -11.333 3.809 1.00 23.32 C ATOM 0 H ILE A 51 3.219 -9.457 6.218 1.00 24.31 H new ATOM 0 HA ILE A 51 6.118 -8.945 5.896 1.00 10.21 H new ATOM 0 HB ILE A 51 4.224 -8.727 3.539 1.00 24.03 H new ATOM 0 HG12 ILE A 51 5.500 -10.936 2.814 1.00 61.41 H new ATOM 0 HG13 ILE A 51 5.653 -11.178 4.542 1.00 61.41 H new ATOM 0 HG21 ILE A 51 6.400 -8.940 2.270 1.00 42.15 H new ATOM 0 HG22 ILE A 51 6.432 -7.561 3.395 1.00 42.15 H new ATOM 0 HG23 ILE A 51 7.262 -9.077 3.820 1.00 42.15 H new ATOM 0 HD11 ILE A 51 3.745 -12.408 3.651 1.00 23.32 H new ATOM 0 HD12 ILE A 51 3.196 -11.145 4.778 1.00 23.32 H new ATOM 0 HD13 ILE A 51 3.041 -10.899 3.022 1.00 23.32 H new ATOM 853 N GLU A 52 5.715 -6.475 6.161 1.00 71.34 N ATOM 854 CA GLU A 52 5.464 -5.049 6.417 1.00 11.13 C ATOM 855 C GLU A 52 6.257 -4.134 5.427 1.00 23.52 C ATOM 856 O GLU A 52 7.485 -3.993 5.522 1.00 34.54 O ATOM 857 CB GLU A 52 5.775 -4.760 7.910 1.00 25.33 C ATOM 858 CG GLU A 52 5.878 -3.285 8.309 1.00 64.41 C ATOM 859 CD GLU A 52 6.411 -3.105 9.724 1.00 3.32 C ATOM 860 OE1 GLU A 52 6.021 -3.888 10.623 1.00 5.13 O ATOM 861 OE2 GLU A 52 7.233 -2.195 9.934 1.00 33.34 O ATOM 0 H GLU A 52 6.628 -6.806 6.473 1.00 71.34 H new ATOM 0 HA GLU A 52 4.416 -4.812 6.232 1.00 11.13 H new ATOM 0 HB2 GLU A 52 4.999 -5.225 8.517 1.00 25.33 H new ATOM 0 HB3 GLU A 52 6.715 -5.250 8.165 1.00 25.33 H new ATOM 0 HG2 GLU A 52 6.532 -2.766 7.608 1.00 64.41 H new ATOM 0 HG3 GLU A 52 4.895 -2.820 8.232 1.00 64.41 H new ATOM 868 N PHE A 53 5.533 -3.573 4.428 1.00 1.41 N ATOM 869 CA PHE A 53 6.131 -2.687 3.392 1.00 55.22 C ATOM 870 C PHE A 53 5.571 -1.237 3.396 1.00 15.34 C ATOM 871 O PHE A 53 4.583 -0.968 4.075 1.00 23.35 O ATOM 872 CB PHE A 53 6.054 -3.312 1.972 1.00 75.44 C ATOM 873 CG PHE A 53 4.843 -4.147 1.684 1.00 20.10 C ATOM 874 CD1 PHE A 53 3.572 -3.625 1.816 1.00 41.42 C ATOM 875 CD2 PHE A 53 4.990 -5.469 1.275 1.00 34.41 C ATOM 876 CE1 PHE A 53 2.470 -4.391 1.541 1.00 14.33 C ATOM 877 CE2 PHE A 53 3.893 -6.241 0.999 1.00 3.41 C ATOM 878 CZ PHE A 53 2.627 -5.697 1.140 1.00 40.02 C ATOM 0 H PHE A 53 4.530 -3.718 4.315 1.00 1.41 H new ATOM 0 HA PHE A 53 7.181 -2.603 3.671 1.00 55.22 H new ATOM 0 HB2 PHE A 53 6.097 -2.506 1.240 1.00 75.44 H new ATOM 0 HB3 PHE A 53 6.940 -3.929 1.820 1.00 75.44 H new ATOM 0 HD1 PHE A 53 3.445 -2.602 2.139 1.00 41.42 H new ATOM 0 HD2 PHE A 53 5.979 -5.890 1.174 1.00 34.41 H new ATOM 0 HE1 PHE A 53 1.480 -3.970 1.639 1.00 14.33 H new ATOM 0 HE2 PHE A 53 4.014 -7.264 0.675 1.00 3.41 H new ATOM 0 HZ PHE A 53 1.757 -6.303 0.934 1.00 40.02 H new ATOM 888 N GLU A 54 6.221 -0.298 2.645 1.00 12.24 N ATOM 889 CA GLU A 54 5.712 1.083 2.512 1.00 62.53 C ATOM 890 C GLU A 54 4.580 1.241 1.453 1.00 43.24 C ATOM 891 O GLU A 54 3.646 2.021 1.680 1.00 74.54 O ATOM 892 CB GLU A 54 6.889 2.091 2.284 1.00 20.31 C ATOM 893 CG GLU A 54 6.639 3.295 1.337 1.00 54.41 C ATOM 894 CD GLU A 54 7.623 4.415 1.566 1.00 14.21 C ATOM 895 OE1 GLU A 54 8.735 4.341 1.017 1.00 62.30 O ATOM 896 OE2 GLU A 54 7.280 5.372 2.299 1.00 24.11 O ATOM 0 H GLU A 54 7.085 -0.478 2.134 1.00 12.24 H new ATOM 0 HA GLU A 54 5.235 1.328 3.461 1.00 62.53 H new ATOM 0 HB2 GLU A 54 7.185 2.486 3.256 1.00 20.31 H new ATOM 0 HB3 GLU A 54 7.739 1.530 1.895 1.00 20.31 H new ATOM 0 HG2 GLU A 54 6.706 2.961 0.302 1.00 54.41 H new ATOM 0 HG3 GLU A 54 5.626 3.668 1.486 1.00 54.41 H new ATOM 903 N ASP A 55 4.596 0.477 0.341 1.00 34.14 N ATOM 904 CA ASP A 55 3.565 0.645 -0.688 1.00 15.00 C ATOM 905 C ASP A 55 2.697 -0.612 -0.674 1.00 30.35 C ATOM 906 O ASP A 55 3.200 -1.705 -0.962 1.00 14.03 O ATOM 907 CB ASP A 55 4.227 0.748 -2.097 1.00 14.22 C ATOM 908 CG ASP A 55 5.343 1.770 -2.171 1.00 33.24 C ATOM 909 OD1 ASP A 55 5.048 2.958 -2.424 1.00 44.43 O ATOM 910 OD2 ASP A 55 6.517 1.379 -1.977 1.00 44.53 O ATOM 0 H ASP A 55 5.293 -0.241 0.141 1.00 34.14 H new ATOM 0 HA ASP A 55 2.986 1.547 -0.489 1.00 15.00 H new ATOM 0 HB2 ASP A 55 4.622 -0.229 -2.376 1.00 14.22 H new ATOM 0 HB3 ASP A 55 3.462 1.004 -2.830 1.00 14.22 H new ATOM 915 N ALA A 56 1.392 -0.490 -0.332 1.00 64.31 N ATOM 916 CA ALA A 56 0.542 -1.678 -0.315 1.00 43.43 C ATOM 917 C ALA A 56 -0.003 -2.097 -1.692 1.00 34.00 C ATOM 918 O ALA A 56 -0.242 -3.286 -1.900 1.00 22.43 O ATOM 919 CB ALA A 56 -0.546 -1.610 0.772 1.00 63.40 C ATOM 0 H ALA A 56 0.931 0.383 -0.076 1.00 64.31 H new ATOM 0 HA ALA A 56 1.209 -2.493 -0.036 1.00 43.43 H new ATOM 0 HB1 ALA A 56 -1.149 -2.518 0.741 1.00 63.40 H new ATOM 0 HB2 ALA A 56 -0.077 -1.520 1.752 1.00 63.40 H new ATOM 0 HB3 ALA A 56 -1.184 -0.744 0.595 1.00 63.40 H new ATOM 925 N ARG A 57 -0.198 -1.149 -2.637 1.00 62.43 N ATOM 926 CA ARG A 57 -0.909 -1.474 -3.872 1.00 25.24 C ATOM 927 C ARG A 57 -0.054 -2.284 -4.914 1.00 63.20 C ATOM 928 O ARG A 57 -0.596 -3.203 -5.515 1.00 24.13 O ATOM 929 CB ARG A 57 -1.618 -0.203 -4.468 1.00 4.40 C ATOM 930 CG ARG A 57 -2.307 -0.388 -5.850 1.00 14.34 C ATOM 931 CD ARG A 57 -1.538 0.284 -6.987 1.00 22.31 C ATOM 932 NE ARG A 57 -1.845 1.714 -7.063 1.00 61.13 N ATOM 933 CZ ARG A 57 -1.018 2.633 -7.562 1.00 5.21 C ATOM 934 NH1 ARG A 57 0.182 2.282 -8.016 1.00 1.50 N ATOM 935 NH2 ARG A 57 -1.407 3.907 -7.622 1.00 13.53 N ATOM 0 H ARG A 57 0.121 -0.183 -2.563 1.00 62.43 H new ATOM 0 HA ARG A 57 -1.698 -2.176 -3.604 1.00 25.24 H new ATOM 0 HB2 ARG A 57 -2.368 0.138 -3.754 1.00 4.40 H new ATOM 0 HB3 ARG A 57 -0.878 0.592 -4.557 1.00 4.40 H new ATOM 0 HG2 ARG A 57 -2.405 -1.453 -6.063 1.00 14.34 H new ATOM 0 HG3 ARG A 57 -3.316 0.023 -5.806 1.00 14.34 H new ATOM 0 HD2 ARG A 57 -0.467 0.147 -6.836 1.00 22.31 H new ATOM 0 HD3 ARG A 57 -1.790 -0.195 -7.933 1.00 22.31 H new ATOM 0 HE ARG A 57 -2.750 2.027 -6.711 1.00 61.13 H new ATOM 0 HH11 ARG A 57 0.474 1.305 -7.984 1.00 1.50 H new ATOM 0 HH12 ARG A 57 0.810 2.990 -8.397 1.00 1.50 H new ATOM 0 HH21 ARG A 57 -2.333 4.174 -7.287 1.00 13.53 H new ATOM 0 HH22 ARG A 57 -0.779 4.615 -8.003 1.00 13.53 H new ATOM 949 N ASP A 58 1.264 -1.983 -5.147 1.00 51.14 N ATOM 950 CA ASP A 58 2.046 -2.782 -6.146 1.00 73.51 C ATOM 951 C ASP A 58 2.385 -4.266 -5.712 1.00 55.05 C ATOM 952 O ASP A 58 2.519 -5.133 -6.577 1.00 74.21 O ATOM 953 CB ASP A 58 3.299 -2.006 -6.673 1.00 44.31 C ATOM 954 CG ASP A 58 2.908 -0.736 -7.417 1.00 35.32 C ATOM 955 OD1 ASP A 58 2.434 0.227 -6.770 1.00 5.15 O ATOM 956 OD2 ASP A 58 3.070 -0.698 -8.656 1.00 43.05 O ATOM 0 H ASP A 58 1.782 -1.236 -4.685 1.00 51.14 H new ATOM 0 HA ASP A 58 1.361 -2.909 -6.985 1.00 73.51 H new ATOM 0 HB2 ASP A 58 3.947 -1.751 -5.835 1.00 44.31 H new ATOM 0 HB3 ASP A 58 3.874 -2.653 -7.336 1.00 44.31 H new ATOM 961 N ALA A 59 2.572 -4.550 -4.397 1.00 2.52 N ATOM 962 CA ALA A 59 2.664 -5.921 -3.835 1.00 55.44 C ATOM 963 C ALA A 59 1.421 -6.888 -4.096 1.00 62.21 C ATOM 964 O ALA A 59 1.508 -8.152 -3.949 1.00 41.31 O ATOM 965 CB ALA A 59 3.091 -5.829 -2.368 1.00 24.42 C ATOM 0 H ALA A 59 2.664 -3.822 -3.688 1.00 2.52 H new ATOM 0 HA ALA A 59 3.434 -6.439 -4.406 1.00 55.44 H new ATOM 0 HB1 ALA A 59 3.161 -6.832 -1.946 1.00 24.42 H new ATOM 0 HB2 ALA A 59 4.062 -5.338 -2.302 1.00 24.42 H new ATOM 0 HB3 ALA A 59 2.354 -5.251 -1.810 1.00 24.42 H new ATOM 971 N ALA A 60 0.245 -6.294 -4.374 1.00 41.22 N ATOM 972 CA ALA A 60 -0.977 -7.016 -4.799 1.00 42.32 C ATOM 973 C ALA A 60 -0.768 -8.019 -5.993 1.00 73.21 C ATOM 974 O ALA A 60 -1.525 -9.003 -6.052 1.00 1.14 O ATOM 975 CB ALA A 60 -2.125 -6.005 -5.078 1.00 0.30 C ATOM 0 H ALA A 60 0.112 -5.285 -4.310 1.00 41.22 H new ATOM 0 HA ALA A 60 -1.258 -7.657 -3.964 1.00 42.32 H new ATOM 0 HB1 ALA A 60 -3.018 -6.546 -5.390 1.00 0.30 H new ATOM 0 HB2 ALA A 60 -2.341 -5.440 -4.171 1.00 0.30 H new ATOM 0 HB3 ALA A 60 -1.822 -5.319 -5.869 1.00 0.30 H new ATOM 981 N ASP A 61 0.227 -7.789 -6.933 1.00 52.14 N ATOM 982 CA ASP A 61 0.721 -8.871 -7.854 1.00 24.34 C ATOM 983 C ASP A 61 1.126 -10.155 -7.099 1.00 54.20 C ATOM 984 O ASP A 61 0.610 -11.230 -7.410 1.00 21.14 O ATOM 985 CB ASP A 61 1.888 -8.427 -8.777 1.00 53.54 C ATOM 986 CG ASP A 61 1.457 -7.357 -9.762 1.00 73.32 C ATOM 987 OD1 ASP A 61 1.423 -6.173 -9.384 1.00 15.13 O ATOM 988 OD2 ASP A 61 1.121 -7.720 -10.920 1.00 53.51 O ATOM 0 H ASP A 61 0.685 -6.887 -7.064 1.00 52.14 H new ATOM 0 HA ASP A 61 -0.138 -9.088 -8.489 1.00 24.34 H new ATOM 0 HB2 ASP A 61 2.709 -8.049 -8.167 1.00 53.54 H new ATOM 0 HB3 ASP A 61 2.267 -9.291 -9.323 1.00 53.54 H new ATOM 993 N ALA A 62 2.017 -10.079 -6.101 1.00 63.01 N ATOM 994 CA ALA A 62 2.320 -11.283 -5.293 1.00 72.35 C ATOM 995 C ALA A 62 1.119 -11.786 -4.515 1.00 21.21 C ATOM 996 O ALA A 62 1.001 -13.008 -4.345 1.00 45.40 O ATOM 997 CB ALA A 62 3.498 -11.160 -4.318 1.00 32.11 C ATOM 0 H ALA A 62 2.526 -9.236 -5.835 1.00 63.01 H new ATOM 0 HA ALA A 62 2.611 -11.999 -6.062 1.00 72.35 H new ATOM 0 HB1 ALA A 62 3.626 -12.100 -3.782 1.00 32.11 H new ATOM 0 HB2 ALA A 62 4.408 -10.932 -4.873 1.00 32.11 H new ATOM 0 HB3 ALA A 62 3.298 -10.360 -3.605 1.00 32.11 H new ATOM 1003 N ILE A 63 0.206 -10.907 -4.041 1.00 20.44 N ATOM 1004 CA ILE A 63 -0.916 -11.472 -3.268 1.00 34.12 C ATOM 1005 C ILE A 63 -1.936 -12.262 -4.157 1.00 50.22 C ATOM 1006 O ILE A 63 -2.333 -13.350 -3.754 1.00 31.41 O ATOM 1007 CB ILE A 63 -1.598 -10.497 -2.249 1.00 11.22 C ATOM 1008 CG1 ILE A 63 -1.993 -11.356 -1.015 1.00 64.41 C ATOM 1009 CG2 ILE A 63 -2.791 -9.695 -2.827 1.00 43.10 C ATOM 1010 CD1 ILE A 63 -3.273 -10.982 -0.343 1.00 5.52 C ATOM 0 H ILE A 63 0.216 -9.895 -4.165 1.00 20.44 H new ATOM 0 HA ILE A 63 -0.438 -12.207 -2.621 1.00 34.12 H new ATOM 0 HB ILE A 63 -0.894 -9.711 -1.974 1.00 11.22 H new ATOM 0 HG12 ILE A 63 -2.061 -12.398 -1.328 1.00 64.41 H new ATOM 0 HG13 ILE A 63 -1.189 -11.295 -0.282 1.00 64.41 H new ATOM 0 HG21 ILE A 63 -3.202 -9.046 -2.054 1.00 43.10 H new ATOM 0 HG22 ILE A 63 -2.449 -9.088 -3.666 1.00 43.10 H new ATOM 0 HG23 ILE A 63 -3.562 -10.385 -3.169 1.00 43.10 H new ATOM 0 HD11 ILE A 63 -3.448 -11.647 0.503 1.00 5.52 H new ATOM 0 HD12 ILE A 63 -3.211 -9.953 0.011 1.00 5.52 H new ATOM 0 HD13 ILE A 63 -4.096 -11.073 -1.052 1.00 5.52 H new ATOM 1022 N LYS A 64 -2.376 -11.725 -5.321 1.00 31.04 N ATOM 1023 CA LYS A 64 -3.056 -12.532 -6.364 1.00 33.43 C ATOM 1024 C LYS A 64 -2.258 -13.768 -6.849 1.00 72.41 C ATOM 1025 O LYS A 64 -2.861 -14.754 -7.237 1.00 62.33 O ATOM 1026 CB LYS A 64 -3.471 -11.675 -7.616 1.00 61.52 C ATOM 1027 CG LYS A 64 -2.344 -10.914 -8.375 1.00 14.03 C ATOM 1028 CD LYS A 64 -1.662 -11.747 -9.483 1.00 25.31 C ATOM 1029 CE LYS A 64 -0.988 -10.890 -10.544 1.00 34.31 C ATOM 1030 NZ LYS A 64 -1.893 -9.845 -11.103 1.00 3.35 N ATOM 0 H LYS A 64 -2.273 -10.739 -5.561 1.00 31.04 H new ATOM 0 HA LYS A 64 -3.947 -12.897 -5.854 1.00 33.43 H new ATOM 0 HB2 LYS A 64 -3.967 -12.336 -8.326 1.00 61.52 H new ATOM 0 HB3 LYS A 64 -4.211 -10.943 -7.292 1.00 61.52 H new ATOM 0 HG2 LYS A 64 -2.764 -10.012 -8.819 1.00 14.03 H new ATOM 0 HG3 LYS A 64 -1.588 -10.594 -7.658 1.00 14.03 H new ATOM 0 HD2 LYS A 64 -0.920 -12.405 -9.030 1.00 25.31 H new ATOM 0 HD3 LYS A 64 -2.406 -12.386 -9.959 1.00 25.31 H new ATOM 0 HE2 LYS A 64 -0.109 -10.410 -10.113 1.00 34.31 H new ATOM 0 HE3 LYS A 64 -0.637 -11.531 -11.353 1.00 34.31 H new ATOM 0 HZ1 LYS A 64 -1.575 -9.585 -12.059 1.00 3.35 H new ATOM 0 HZ2 LYS A 64 -2.864 -10.215 -11.150 1.00 3.35 H new ATOM 0 HZ3 LYS A 64 -1.872 -9.004 -10.491 1.00 3.35 H new ATOM 1044 N GLU A 65 -0.920 -13.721 -6.887 1.00 32.40 N ATOM 1045 CA GLU A 65 -0.162 -14.863 -7.418 1.00 25.24 C ATOM 1046 C GLU A 65 0.039 -15.976 -6.367 1.00 11.12 C ATOM 1047 O GLU A 65 0.336 -17.121 -6.716 1.00 63.34 O ATOM 1048 CB GLU A 65 1.121 -14.314 -8.066 1.00 24.21 C ATOM 1049 CG GLU A 65 2.419 -14.638 -7.386 1.00 11.41 C ATOM 1050 CD GLU A 65 3.547 -13.743 -7.818 1.00 44.41 C ATOM 1051 OE1 GLU A 65 3.274 -12.668 -8.384 1.00 23.41 O ATOM 1052 OE2 GLU A 65 4.717 -14.134 -7.611 1.00 54.23 O ATOM 0 H GLU A 65 -0.355 -12.934 -6.569 1.00 32.40 H new ATOM 0 HA GLU A 65 -0.724 -15.380 -8.196 1.00 25.24 H new ATOM 0 HB2 GLU A 65 1.171 -14.688 -9.088 1.00 24.21 H new ATOM 0 HB3 GLU A 65 1.032 -13.229 -8.128 1.00 24.21 H new ATOM 0 HG2 GLU A 65 2.289 -14.554 -6.307 1.00 11.41 H new ATOM 0 HG3 GLU A 65 2.684 -15.674 -7.595 1.00 11.41 H new ATOM 1059 N LYS A 66 -0.131 -15.640 -5.084 1.00 73.32 N ATOM 1060 CA LYS A 66 -0.262 -16.649 -4.038 1.00 52.40 C ATOM 1061 C LYS A 66 -1.777 -16.854 -3.608 1.00 41.50 C ATOM 1062 O LYS A 66 -2.034 -17.472 -2.574 1.00 73.02 O ATOM 1063 CB LYS A 66 0.618 -16.273 -2.792 1.00 31.43 C ATOM 1064 CG LYS A 66 2.086 -15.782 -3.014 1.00 13.42 C ATOM 1065 CD LYS A 66 2.994 -16.626 -3.958 1.00 2.22 C ATOM 1066 CE LYS A 66 4.379 -15.976 -4.124 1.00 63.11 C ATOM 1067 NZ LYS A 66 5.283 -16.763 -5.010 1.00 41.15 N ATOM 0 H LYS A 66 -0.181 -14.678 -4.749 1.00 73.32 H new ATOM 0 HA LYS A 66 0.096 -17.594 -4.447 1.00 52.40 H new ATOM 0 HB2 LYS A 66 0.091 -15.493 -2.242 1.00 31.43 H new ATOM 0 HB3 LYS A 66 0.659 -17.148 -2.144 1.00 31.43 H new ATOM 0 HG2 LYS A 66 2.045 -14.766 -3.407 1.00 13.42 H new ATOM 0 HG3 LYS A 66 2.573 -15.727 -2.040 1.00 13.42 H new ATOM 0 HD2 LYS A 66 3.107 -17.632 -3.554 1.00 2.22 H new ATOM 0 HD3 LYS A 66 2.517 -16.726 -4.933 1.00 2.22 H new ATOM 0 HE2 LYS A 66 4.258 -14.973 -4.534 1.00 63.11 H new ATOM 0 HE3 LYS A 66 4.844 -15.866 -3.144 1.00 63.11 H new ATOM 0 HZ1 LYS A 66 6.262 -16.432 -4.890 1.00 41.15 H new ATOM 0 HZ2 LYS A 66 5.225 -17.770 -4.758 1.00 41.15 H new ATOM 0 HZ3 LYS A 66 4.994 -16.636 -6.001 1.00 41.15 H new ATOM 1081 N ASP A 67 -2.774 -16.356 -4.418 1.00 62.12 N ATOM 1082 CA ASP A 67 -4.204 -16.238 -3.980 1.00 64.21 C ATOM 1083 C ASP A 67 -5.001 -17.526 -3.991 1.00 41.53 C ATOM 1084 O ASP A 67 -4.597 -18.517 -4.618 1.00 72.40 O ATOM 1085 CB ASP A 67 -5.039 -15.082 -4.521 1.00 62.34 C ATOM 1086 CG ASP A 67 -5.891 -15.367 -5.777 1.00 51.34 C ATOM 1087 OD1 ASP A 67 -5.365 -15.881 -6.781 1.00 12.54 O ATOM 1088 OD2 ASP A 67 -7.112 -15.087 -5.739 1.00 1.14 O ATOM 0 H ASP A 67 -2.609 -16.033 -5.371 1.00 62.12 H new ATOM 0 HA ASP A 67 -4.013 -15.966 -2.942 1.00 64.21 H new ATOM 0 HB2 ASP A 67 -5.706 -14.744 -3.728 1.00 62.34 H new ATOM 0 HB3 ASP A 67 -4.367 -14.254 -4.747 1.00 62.34 H new ATOM 1093 N GLY A 68 -6.159 -17.529 -3.301 1.00 72.10 N ATOM 1094 CA GLY A 68 -6.849 -18.769 -3.109 1.00 21.12 C ATOM 1095 C GLY A 68 -6.965 -19.235 -1.683 1.00 3.31 C ATOM 1096 O GLY A 68 -6.950 -20.447 -1.485 1.00 43.50 O ATOM 0 H GLY A 68 -6.603 -16.708 -2.891 1.00 72.10 H new ATOM 0 HA2 GLY A 68 -7.852 -18.674 -3.524 1.00 21.12 H new ATOM 0 HA3 GLY A 68 -6.338 -19.541 -3.684 1.00 21.12 H new ATOM 1100 N CYS A 69 -7.020 -18.281 -0.684 1.00 5.24 N ATOM 1101 CA CYS A 69 -6.915 -18.628 0.723 1.00 63.51 C ATOM 1102 C CYS A 69 -7.910 -19.731 1.108 1.00 10.51 C ATOM 1103 O CYS A 69 -9.126 -19.592 0.939 1.00 72.10 O ATOM 1104 CB CYS A 69 -7.199 -17.343 1.552 1.00 73.24 C ATOM 1105 SG CYS A 69 -8.192 -16.100 0.703 1.00 42.42 S ATOM 0 H CYS A 69 -7.136 -17.283 -0.860 1.00 5.24 H new ATOM 0 HA CYS A 69 -5.915 -19.011 0.927 1.00 63.51 H new ATOM 0 HB2 CYS A 69 -7.708 -17.627 2.473 1.00 73.24 H new ATOM 0 HB3 CYS A 69 -6.248 -16.894 1.838 1.00 73.24 H new ATOM 0 HG CYS A 69 -8.368 -15.077 1.485 1.00 42.42 H new ATOM 1111 N ASP A 70 -7.342 -20.836 1.660 1.00 44.10 N ATOM 1112 CA ASP A 70 -8.138 -22.030 1.885 1.00 23.54 C ATOM 1113 C ASP A 70 -7.902 -22.626 3.289 1.00 2.02 C ATOM 1114 O ASP A 70 -6.766 -22.531 3.820 1.00 33.14 O ATOM 1115 CB ASP A 70 -7.857 -23.061 0.792 1.00 42.40 C ATOM 1116 CG ASP A 70 -9.117 -23.793 0.378 1.00 31.20 C ATOM 1117 OD1 ASP A 70 -9.495 -24.770 1.057 1.00 44.32 O ATOM 1118 OD2 ASP A 70 -9.737 -23.377 -0.623 1.00 63.23 O ATOM 0 H ASP A 70 -6.365 -20.907 1.943 1.00 44.10 H new ATOM 0 HA ASP A 70 -9.189 -21.746 1.838 1.00 23.54 H new ATOM 0 HB2 ASP A 70 -7.423 -22.563 -0.075 1.00 42.40 H new ATOM 0 HB3 ASP A 70 -7.119 -23.779 1.150 1.00 42.40 H new ATOM 1123 N PHE A 71 -8.957 -23.314 3.806 1.00 51.54 N ATOM 1124 CA PHE A 71 -9.154 -23.698 5.192 1.00 2.20 C ATOM 1125 C PHE A 71 -9.938 -25.014 5.186 1.00 55.25 C ATOM 1126 O PHE A 71 -10.733 -25.214 4.267 1.00 11.33 O ATOM 1127 CB PHE A 71 -9.871 -22.600 6.022 1.00 20.42 C ATOM 1128 CG PHE A 71 -11.296 -22.263 5.614 1.00 12.34 C ATOM 1129 CD1 PHE A 71 -11.553 -21.345 4.599 1.00 32.13 C ATOM 1130 CD2 PHE A 71 -12.375 -22.840 6.272 1.00 73.44 C ATOM 1131 CE1 PHE A 71 -12.850 -21.020 4.245 1.00 13.12 C ATOM 1132 CE2 PHE A 71 -13.675 -22.511 5.925 1.00 30.04 C ATOM 1133 CZ PHE A 71 -13.910 -21.603 4.910 1.00 35.01 C ATOM 0 H PHE A 71 -9.727 -23.624 3.213 1.00 51.54 H new ATOM 0 HA PHE A 71 -8.188 -23.828 5.680 1.00 2.20 H new ATOM 0 HB2 PHE A 71 -9.880 -22.913 7.066 1.00 20.42 H new ATOM 0 HB3 PHE A 71 -9.276 -21.688 5.968 1.00 20.42 H new ATOM 0 HD1 PHE A 71 -10.728 -20.880 4.081 1.00 32.13 H new ATOM 0 HD2 PHE A 71 -12.198 -23.553 7.063 1.00 73.44 H new ATOM 0 HE1 PHE A 71 -13.033 -20.312 3.450 1.00 13.12 H new ATOM 0 HE2 PHE A 71 -14.505 -22.964 6.447 1.00 30.04 H new ATOM 0 HZ PHE A 71 -14.924 -21.349 4.637 1.00 35.01 H new ATOM 1143 N GLU A 72 -9.663 -25.921 6.153 1.00 72.14 N ATOM 1144 CA GLU A 72 -10.366 -27.239 6.260 1.00 4.21 C ATOM 1145 C GLU A 72 -9.997 -28.251 5.132 1.00 44.55 C ATOM 1146 O GLU A 72 -10.833 -28.616 4.302 1.00 5.44 O ATOM 1147 CB GLU A 72 -11.927 -27.045 6.336 1.00 50.23 C ATOM 1148 CG GLU A 72 -12.699 -27.789 7.445 1.00 0.23 C ATOM 1149 CD GLU A 72 -14.188 -27.471 7.442 1.00 61.53 C ATOM 1150 OE1 GLU A 72 -14.554 -26.322 7.780 1.00 23.31 O ATOM 1151 OE2 GLU A 72 -14.995 -28.376 7.132 1.00 5.15 O ATOM 0 H GLU A 72 -8.959 -25.771 6.876 1.00 72.14 H new ATOM 0 HA GLU A 72 -10.010 -27.681 7.191 1.00 4.21 H new ATOM 0 HB2 GLU A 72 -12.125 -25.979 6.449 1.00 50.23 H new ATOM 0 HB3 GLU A 72 -12.348 -27.347 5.377 1.00 50.23 H new ATOM 0 HG2 GLU A 72 -12.561 -28.863 7.320 1.00 0.23 H new ATOM 0 HG3 GLU A 72 -12.278 -27.525 8.415 1.00 0.23 H new ATOM 1158 N GLY A 73 -8.723 -28.670 5.100 1.00 52.21 N ATOM 1159 CA GLY A 73 -8.277 -29.746 4.194 1.00 64.42 C ATOM 1160 C GLY A 73 -7.589 -29.308 2.900 1.00 54.12 C ATOM 1161 O GLY A 73 -6.952 -30.141 2.246 1.00 75.41 O ATOM 0 H GLY A 73 -7.984 -28.284 5.687 1.00 52.21 H new ATOM 0 HA2 GLY A 73 -7.592 -30.392 4.743 1.00 64.42 H new ATOM 0 HA3 GLY A 73 -9.144 -30.352 3.931 1.00 64.42 H new ATOM 1165 N ASN A 74 -7.679 -28.038 2.529 1.00 2.25 N ATOM 1166 CA ASN A 74 -6.618 -27.436 1.689 1.00 55.24 C ATOM 1167 C ASN A 74 -6.025 -26.309 2.511 1.00 71.22 C ATOM 1168 O ASN A 74 -6.751 -25.442 2.962 1.00 43.21 O ATOM 1169 CB ASN A 74 -7.061 -26.964 0.239 1.00 50.05 C ATOM 1170 CG ASN A 74 -7.754 -28.058 -0.551 1.00 34.30 C ATOM 1171 OD1 ASN A 74 -8.963 -28.260 -0.442 1.00 13.31 O ATOM 1172 ND2 ASN A 74 -6.986 -28.762 -1.373 1.00 64.12 N ATOM 0 H ASN A 74 -8.444 -27.411 2.779 1.00 2.25 H new ATOM 0 HA ASN A 74 -5.884 -28.206 1.451 1.00 55.24 H new ATOM 0 HB2 ASN A 74 -7.730 -26.108 0.329 1.00 50.05 H new ATOM 0 HB3 ASN A 74 -6.183 -26.625 -0.312 1.00 50.05 H new ATOM 0 HD21 ASN A 74 -7.394 -29.502 -1.944 1.00 64.12 H new ATOM 0 HD22 ASN A 74 -5.987 -28.563 -1.434 1.00 64.12 H new ATOM 1179 N LYS A 75 -4.721 -26.369 2.800 1.00 63.04 N ATOM 1180 CA LYS A 75 -4.108 -25.308 3.627 1.00 73.21 C ATOM 1181 C LYS A 75 -3.447 -24.254 2.717 1.00 24.35 C ATOM 1182 O LYS A 75 -2.401 -24.561 2.138 1.00 12.14 O ATOM 1183 CB LYS A 75 -3.095 -25.831 4.716 1.00 13.00 C ATOM 1184 CG LYS A 75 -3.703 -26.022 6.128 1.00 74.20 C ATOM 1185 CD LYS A 75 -4.255 -27.428 6.457 1.00 30.02 C ATOM 1186 CE LYS A 75 -5.449 -27.329 7.408 1.00 73.14 C ATOM 1187 NZ LYS A 75 -5.116 -26.572 8.649 1.00 33.20 N ATOM 0 H LYS A 75 -4.086 -27.106 2.492 1.00 63.04 H new ATOM 0 HA LYS A 75 -4.921 -24.855 4.195 1.00 73.21 H new ATOM 0 HB2 LYS A 75 -2.682 -26.783 4.381 1.00 13.00 H new ATOM 0 HB3 LYS A 75 -2.263 -25.130 4.785 1.00 13.00 H new ATOM 0 HG2 LYS A 75 -2.939 -25.775 6.865 1.00 74.20 H new ATOM 0 HG3 LYS A 75 -4.511 -25.301 6.252 1.00 74.20 H new ATOM 0 HD2 LYS A 75 -4.556 -27.931 5.538 1.00 30.02 H new ATOM 0 HD3 LYS A 75 -3.472 -28.035 6.910 1.00 30.02 H new ATOM 0 HE2 LYS A 75 -6.279 -26.841 6.898 1.00 73.14 H new ATOM 0 HE3 LYS A 75 -5.784 -28.331 7.674 1.00 73.14 H new ATOM 0 HZ1 LYS A 75 -5.891 -26.672 9.335 1.00 33.20 H new ATOM 0 HZ2 LYS A 75 -4.238 -26.949 9.061 1.00 33.20 H new ATOM 0 HZ3 LYS A 75 -4.986 -25.566 8.418 1.00 33.20 H new ATOM 1201 N LEU A 76 -4.022 -23.014 2.567 1.00 45.22 N ATOM 1202 CA LEU A 76 -3.356 -21.988 1.721 1.00 53.12 C ATOM 1203 C LEU A 76 -3.917 -20.563 2.016 1.00 3.33 C ATOM 1204 O LEU A 76 -4.587 -20.036 1.183 1.00 41.34 O ATOM 1205 CB LEU A 76 -3.531 -22.373 0.192 1.00 41.44 C ATOM 1206 CG LEU A 76 -3.081 -21.361 -0.865 1.00 43.23 C ATOM 1207 CD1 LEU A 76 -1.578 -21.285 -1.005 1.00 45.31 C ATOM 1208 CD2 LEU A 76 -3.749 -21.665 -2.186 1.00 54.14 C ATOM 0 H LEU A 76 -4.898 -22.721 2.999 1.00 45.22 H new ATOM 0 HA LEU A 76 -2.293 -21.966 1.959 1.00 53.12 H new ATOM 0 HB2 LEU A 76 -2.986 -23.301 0.018 1.00 41.44 H new ATOM 0 HB3 LEU A 76 -4.586 -22.586 0.021 1.00 41.44 H new ATOM 0 HG LEU A 76 -3.396 -20.373 -0.529 1.00 43.23 H new ATOM 0 HD11 LEU A 76 -1.320 -20.551 -1.769 1.00 45.31 H new ATOM 0 HD12 LEU A 76 -1.138 -20.988 -0.053 1.00 45.31 H new ATOM 0 HD13 LEU A 76 -1.190 -22.261 -1.295 1.00 45.31 H new ATOM 0 HD21 LEU A 76 -3.424 -20.941 -2.933 1.00 54.14 H new ATOM 0 HD22 LEU A 76 -3.474 -22.669 -2.510 1.00 54.14 H new ATOM 0 HD23 LEU A 76 -4.831 -21.605 -2.069 1.00 54.14 H new ATOM 1220 N ARG A 77 -3.665 -19.905 3.176 1.00 20.43 N ATOM 1221 CA ARG A 77 -4.381 -18.650 3.486 1.00 45.05 C ATOM 1222 C ARG A 77 -3.467 -17.424 3.197 1.00 74.45 C ATOM 1223 O ARG A 77 -2.502 -17.193 3.919 1.00 71.54 O ATOM 1224 CB ARG A 77 -4.821 -18.727 4.981 1.00 72.31 C ATOM 1225 CG ARG A 77 -5.325 -17.425 5.702 1.00 12.44 C ATOM 1226 CD ARG A 77 -6.700 -16.883 5.270 1.00 41.34 C ATOM 1227 NE ARG A 77 -7.036 -15.651 6.007 1.00 74.13 N ATOM 1228 CZ ARG A 77 -7.895 -15.592 7.054 1.00 42.31 C ATOM 1229 NH1 ARG A 77 -8.501 -16.691 7.490 1.00 14.03 N ATOM 1230 NH2 ARG A 77 -8.128 -14.425 7.656 1.00 42.24 N ATOM 0 H ARG A 77 -2.998 -20.210 3.885 1.00 20.43 H new ATOM 0 HA ARG A 77 -5.263 -18.526 2.858 1.00 45.05 H new ATOM 0 HB2 ARG A 77 -5.617 -19.469 5.051 1.00 72.31 H new ATOM 0 HB3 ARG A 77 -3.976 -19.111 5.552 1.00 72.31 H new ATOM 0 HG2 ARG A 77 -5.358 -17.621 6.774 1.00 12.44 H new ATOM 0 HG3 ARG A 77 -4.585 -16.640 5.544 1.00 12.44 H new ATOM 0 HD2 ARG A 77 -6.695 -16.681 4.199 1.00 41.34 H new ATOM 0 HD3 ARG A 77 -7.465 -17.638 5.448 1.00 41.34 H new ATOM 0 HE ARG A 77 -6.591 -14.783 5.708 1.00 74.13 H new ATOM 0 HH11 ARG A 77 -8.321 -17.587 7.036 1.00 14.03 H new ATOM 0 HH12 ARG A 77 -9.146 -16.639 8.278 1.00 14.03 H new ATOM 0 HH21 ARG A 77 -7.660 -13.580 7.328 1.00 42.24 H new ATOM 0 HH22 ARG A 77 -8.774 -14.378 8.444 1.00 42.24 H new ATOM 1244 N VAL A 78 -3.757 -16.592 2.156 1.00 22.23 N ATOM 1245 CA VAL A 78 -2.905 -15.419 1.893 1.00 21.02 C ATOM 1246 C VAL A 78 -3.841 -14.160 1.831 1.00 52.42 C ATOM 1247 O VAL A 78 -4.720 -14.131 0.968 1.00 51.43 O ATOM 1248 CB VAL A 78 -2.024 -15.604 0.559 1.00 62.30 C ATOM 1249 CG1 VAL A 78 -1.219 -14.361 0.279 1.00 60.22 C ATOM 1250 CG2 VAL A 78 -1.015 -16.773 0.657 1.00 15.12 C ATOM 0 H VAL A 78 -4.542 -16.712 1.516 1.00 22.23 H new ATOM 0 HA VAL A 78 -2.177 -15.292 2.694 1.00 21.02 H new ATOM 0 HB VAL A 78 -2.742 -15.811 -0.235 1.00 62.30 H new ATOM 0 HG11 VAL A 78 -0.630 -14.505 -0.627 1.00 60.22 H new ATOM 0 HG12 VAL A 78 -1.892 -13.515 0.143 1.00 60.22 H new ATOM 0 HG13 VAL A 78 -0.552 -14.163 1.118 1.00 60.22 H new ATOM 0 HG21 VAL A 78 -0.451 -16.846 -0.273 1.00 15.12 H new ATOM 0 HG22 VAL A 78 -0.328 -16.593 1.484 1.00 15.12 H new ATOM 0 HG23 VAL A 78 -1.553 -17.705 0.829 1.00 15.12 H new ATOM 1260 N GLU A 79 -3.692 -13.122 2.738 1.00 65.24 N ATOM 1261 CA GLU A 79 -4.702 -12.036 2.819 1.00 63.32 C ATOM 1262 C GLU A 79 -4.052 -10.673 3.151 1.00 33.31 C ATOM 1263 O GLU A 79 -3.254 -10.541 4.102 1.00 31.44 O ATOM 1264 CB GLU A 79 -5.754 -12.482 3.896 1.00 64.52 C ATOM 1265 CG GLU A 79 -6.663 -11.427 4.573 1.00 34.33 C ATOM 1266 CD GLU A 79 -7.802 -12.070 5.332 1.00 32.45 C ATOM 1267 OE1 GLU A 79 -8.550 -12.877 4.741 1.00 35.23 O ATOM 1268 OE2 GLU A 79 -7.936 -11.775 6.536 1.00 24.44 O ATOM 0 H GLU A 79 -2.912 -13.032 3.388 1.00 65.24 H new ATOM 0 HA GLU A 79 -5.191 -11.884 1.857 1.00 63.32 H new ATOM 0 HB2 GLU A 79 -6.406 -13.219 3.427 1.00 64.52 H new ATOM 0 HB3 GLU A 79 -5.209 -12.997 4.688 1.00 64.52 H new ATOM 0 HG2 GLU A 79 -6.069 -10.820 5.256 1.00 34.33 H new ATOM 0 HG3 GLU A 79 -7.065 -10.754 3.816 1.00 34.33 H new ATOM 1275 N VAL A 80 -4.423 -9.641 2.365 1.00 71.31 N ATOM 1276 CA VAL A 80 -4.142 -8.269 2.751 1.00 43.21 C ATOM 1277 C VAL A 80 -5.252 -7.663 3.610 1.00 3.30 C ATOM 1278 O VAL A 80 -6.441 -7.818 3.313 1.00 33.32 O ATOM 1279 CB VAL A 80 -3.878 -7.338 1.533 1.00 53.10 C ATOM 1280 CG1 VAL A 80 -2.548 -7.694 0.892 1.00 20.03 C ATOM 1281 CG2 VAL A 80 -4.998 -7.411 0.512 1.00 75.33 C ATOM 0 H VAL A 80 -4.910 -9.743 1.475 1.00 71.31 H new ATOM 0 HA VAL A 80 -3.229 -8.330 3.344 1.00 43.21 H new ATOM 0 HB VAL A 80 -3.841 -6.311 1.897 1.00 53.10 H new ATOM 0 HG11 VAL A 80 -2.368 -7.039 0.040 1.00 20.03 H new ATOM 0 HG12 VAL A 80 -1.748 -7.569 1.621 1.00 20.03 H new ATOM 0 HG13 VAL A 80 -2.573 -8.730 0.555 1.00 20.03 H new ATOM 0 HG21 VAL A 80 -4.774 -6.746 -0.322 1.00 75.33 H new ATOM 0 HG22 VAL A 80 -5.091 -8.434 0.146 1.00 75.33 H new ATOM 0 HG23 VAL A 80 -5.935 -7.106 0.978 1.00 75.33 H new ATOM 1291 N PRO A 81 -4.884 -6.979 4.714 1.00 54.23 N ATOM 1292 CA PRO A 81 -5.781 -6.038 5.387 1.00 74.43 C ATOM 1293 C PRO A 81 -5.761 -4.651 4.700 1.00 42.53 C ATOM 1294 O PRO A 81 -5.857 -3.611 5.359 1.00 71.54 O ATOM 1295 CB PRO A 81 -5.219 -5.970 6.817 1.00 3.23 C ATOM 1296 CG PRO A 81 -3.781 -6.349 6.716 1.00 33.31 C ATOM 1297 CD PRO A 81 -3.604 -7.138 5.440 1.00 74.21 C ATOM 0 HA PRO A 81 -6.825 -6.351 5.359 1.00 74.43 H new ATOM 0 HB2 PRO A 81 -5.329 -4.968 7.232 1.00 3.23 H new ATOM 0 HB3 PRO A 81 -5.755 -6.650 7.479 1.00 3.23 H new ATOM 0 HG2 PRO A 81 -3.151 -5.460 6.707 1.00 33.31 H new ATOM 0 HG3 PRO A 81 -3.480 -6.944 7.579 1.00 33.31 H new ATOM 0 HD2 PRO A 81 -2.767 -6.758 4.854 1.00 74.21 H new ATOM 0 HD3 PRO A 81 -3.396 -8.187 5.650 1.00 74.21 H new ATOM 1305 N PHE A 82 -5.683 -4.653 3.357 1.00 15.13 N ATOM 1306 CA PHE A 82 -5.653 -3.416 2.565 1.00 4.13 C ATOM 1307 C PHE A 82 -6.762 -3.478 1.538 1.00 32.22 C ATOM 1308 O PHE A 82 -6.541 -3.282 0.341 1.00 24.31 O ATOM 1309 CB PHE A 82 -4.323 -3.129 1.809 1.00 35.12 C ATOM 1310 CG PHE A 82 -3.056 -3.441 2.523 1.00 3.01 C ATOM 1311 CD1 PHE A 82 -2.692 -2.762 3.659 1.00 24.31 C ATOM 1312 CD2 PHE A 82 -2.196 -4.392 2.010 1.00 53.32 C ATOM 1313 CE1 PHE A 82 -1.507 -3.032 4.271 1.00 3.05 C ATOM 1314 CE2 PHE A 82 -0.994 -4.662 2.621 1.00 10.14 C ATOM 1315 CZ PHE A 82 -0.657 -3.977 3.747 1.00 31.00 C ATOM 0 H PHE A 82 -5.639 -5.505 2.797 1.00 15.13 H new ATOM 0 HA PHE A 82 -5.770 -2.609 3.288 1.00 4.13 H new ATOM 0 HB2 PHE A 82 -4.335 -3.695 0.878 1.00 35.12 H new ATOM 0 HB3 PHE A 82 -4.308 -2.073 1.540 1.00 35.12 H new ATOM 0 HD1 PHE A 82 -3.349 -2.010 4.069 1.00 24.31 H new ATOM 0 HD2 PHE A 82 -2.471 -4.932 1.116 1.00 53.32 H new ATOM 0 HE1 PHE A 82 -1.233 -2.502 5.171 1.00 3.05 H new ATOM 0 HE2 PHE A 82 -0.327 -5.407 2.213 1.00 10.14 H new ATOM 0 HZ PHE A 82 0.286 -4.177 4.233 1.00 31.00 H new ATOM 1325 N ASN A 83 -7.970 -3.759 2.014 1.00 43.12 N ATOM 1326 CA ASN A 83 -9.142 -3.742 1.144 1.00 54.21 C ATOM 1327 C ASN A 83 -9.693 -2.299 1.023 1.00 32.35 C ATOM 1328 O ASN A 83 -10.905 -2.070 1.098 1.00 52.33 O ATOM 1329 CB ASN A 83 -10.224 -4.709 1.664 1.00 64.13 C ATOM 1330 CG ASN A 83 -9.715 -6.129 1.842 1.00 71.50 C ATOM 1331 OD1 ASN A 83 -8.847 -6.601 1.106 1.00 31.14 O ATOM 1332 ND2 ASN A 83 -10.248 -6.816 2.839 1.00 64.45 N ATOM 0 H ASN A 83 -8.163 -3.999 2.986 1.00 43.12 H new ATOM 0 HA ASN A 83 -8.846 -4.081 0.151 1.00 54.21 H new ATOM 0 HB2 ASN A 83 -10.603 -4.342 2.618 1.00 64.13 H new ATOM 0 HB3 ASN A 83 -11.063 -4.714 0.969 1.00 64.13 H new ATOM 0 HD21 ASN A 83 -9.942 -7.772 3.020 1.00 64.45 H new ATOM 0 HD22 ASN A 83 -10.965 -6.390 3.426 1.00 64.45 H new ATOM 1339 N ALA A 84 -8.767 -1.342 0.793 1.00 75.33 N ATOM 1340 CA ALA A 84 -9.040 0.099 0.793 1.00 31.45 C ATOM 1341 C ALA A 84 -7.820 0.881 0.256 1.00 22.22 C ATOM 1342 O ALA A 84 -7.538 1.998 0.700 1.00 4.34 O ATOM 1343 CB ALA A 84 -9.401 0.583 2.210 1.00 74.43 C ATOM 0 H ALA A 84 -7.790 -1.562 0.599 1.00 75.33 H new ATOM 0 HA ALA A 84 -9.890 0.285 0.136 1.00 31.45 H new ATOM 0 HB1 ALA A 84 -9.600 1.654 2.189 1.00 74.43 H new ATOM 0 HB2 ALA A 84 -10.289 0.056 2.559 1.00 74.43 H new ATOM 0 HB3 ALA A 84 -8.570 0.382 2.886 1.00 74.43 H new ATOM 1349 N ARG A 85 -7.088 0.284 -0.696 1.00 44.32 N ATOM 1350 CA ARG A 85 -5.918 0.956 -1.306 1.00 34.21 C ATOM 1351 C ARG A 85 -5.792 0.600 -2.802 1.00 25.20 C ATOM 1352 O ARG A 85 -4.689 0.350 -3.289 1.00 52.04 O ATOM 1353 CB ARG A 85 -4.611 0.593 -0.546 1.00 11.21 C ATOM 1354 CG ARG A 85 -3.917 1.784 0.142 1.00 1.23 C ATOM 1355 CD ARG A 85 -3.148 1.409 1.426 1.00 12.31 C ATOM 1356 NE ARG A 85 -1.680 1.573 1.310 1.00 3.21 N ATOM 1357 CZ ARG A 85 -1.015 2.742 1.134 1.00 14.01 C ATOM 1358 NH1 ARG A 85 -1.662 3.902 1.030 1.00 10.24 N ATOM 1359 NH2 ARG A 85 0.319 2.741 1.092 1.00 52.34 N ATOM 0 H ARG A 85 -7.277 -0.650 -1.060 1.00 44.32 H new ATOM 0 HA ARG A 85 -6.073 2.032 -1.225 1.00 34.21 H new ATOM 0 HB2 ARG A 85 -4.842 -0.161 0.207 1.00 11.21 H new ATOM 0 HB3 ARG A 85 -3.912 0.139 -1.248 1.00 11.21 H new ATOM 0 HG2 ARG A 85 -3.224 2.243 -0.563 1.00 1.23 H new ATOM 0 HG3 ARG A 85 -4.667 2.536 0.387 1.00 1.23 H new ATOM 0 HD2 ARG A 85 -3.510 2.026 2.249 1.00 12.31 H new ATOM 0 HD3 ARG A 85 -3.370 0.373 1.682 1.00 12.31 H new ATOM 0 HE ARG A 85 -1.115 0.726 1.368 1.00 3.21 H new ATOM 0 HH11 ARG A 85 -2.680 3.924 1.082 1.00 10.24 H new ATOM 0 HH12 ARG A 85 -1.139 4.768 0.898 1.00 10.24 H new ATOM 0 HH21 ARG A 85 0.832 1.865 1.192 1.00 52.34 H new ATOM 0 HH22 ARG A 85 0.826 3.616 0.960 1.00 52.34 H new ATOM 1373 N GLU A 86 -6.917 0.604 -3.534 1.00 64.21 N ATOM 1374 CA GLU A 86 -6.891 0.339 -4.978 1.00 51.11 C ATOM 1375 C GLU A 86 -6.949 1.659 -5.754 1.00 70.32 C ATOM 1376 O GLU A 86 -8.036 2.278 -5.796 1.00 31.50 O ATOM 1377 CB GLU A 86 -8.035 -0.606 -5.412 1.00 71.21 C ATOM 1378 CG GLU A 86 -7.742 -2.108 -5.232 1.00 10.53 C ATOM 1379 CD GLU A 86 -7.772 -2.876 -6.549 1.00 52.43 C ATOM 1380 OE1 GLU A 86 -6.719 -2.965 -7.214 1.00 21.43 O ATOM 1381 OE2 GLU A 86 -8.848 -3.403 -6.914 1.00 22.31 O ATOM 1382 OXT GLU A 86 -5.892 2.087 -6.280 1.00 36.79 O ATOM 0 H GLU A 86 -7.846 0.786 -3.154 1.00 64.21 H new ATOM 0 HA GLU A 86 -5.954 -0.168 -5.209 1.00 51.11 H new ATOM 0 HB2 GLU A 86 -8.930 -0.355 -4.842 1.00 71.21 H new ATOM 0 HB3 GLU A 86 -8.263 -0.419 -6.461 1.00 71.21 H new ATOM 0 HG2 GLU A 86 -6.764 -2.230 -4.767 1.00 10.53 H new ATOM 0 HG3 GLU A 86 -8.475 -2.538 -4.549 1.00 10.53 H new TER 1389 GLU A 86