USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 689 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 12 SER OG : rot 136:sc= 1.58 USER MOD Set 1.2: A 14 THR OG1 : rot 180:sc= 0.806 USER MOD Set 2.1: A 9 ASN :FLIP amide:sc= 1.18 F(o=0.92,f=2.2) USER MOD Set 2.2: A 71 ASN :FLIP amide:sc= 0.984 F(o=-0.14,f=2.2) USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS : no HD1:sc= -0.0519 X(o=-0.052,f=-0.28) USER MOD Single : A 2 HIS : no HD1:sc= -0.025 X(o=-0.025,f=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.172 X(o=-0.17,f=-0.044) USER MOD Single : A 4 HIS : no HE2:sc= 0.294 K(o=0.29,f=-1.1) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -2 MET N :NH3+ -163:sc= -0.0207 (180deg=-0.318) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 168:sc= -0.057 (180deg=-0.247) USER MOD Single : A 17 GLN : amide:sc=-0.00842 K(o=-0.0084,f=-1.3) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -88:sc= 0.797 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0599 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.43 X(o=-0.43,f=-0.57) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.273 USER MOD Single : A 36 THR OG1 : rot 135:sc= 1.47 USER MOD Single : A 41 ASN : amide:sc= -1.15 K(o=-1.1,f=-3.1!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.45 X(o=-1.5,f=-1.5) USER MOD Single : A 50 SER OG : rot -100:sc= -0.409 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.01 USER MOD Single : A 53 LYS NZ :NH3+ -162:sc= -0.0641 (180deg=-0.715) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 81:sc= 0.0138 USER MOD Single : A 59 TYR OH : rot 180:sc=-0.00421 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -54:sc= 0.398 USER MOD Single : A 79 GLN : amide:sc= -1.77 X(o=-1.8,f=-1.7) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0138 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -2 11.708 -1.844 17.137 1.00 54.25 N ATOM 2 CA MET A -2 10.835 -1.205 16.161 1.00 24.12 C ATOM 3 C MET A -2 10.992 -1.849 14.787 1.00 52.04 C ATOM 4 O MET A -2 12.103 -1.986 14.278 1.00 72.11 O ATOM 5 CB MET A -2 11.143 0.291 16.073 1.00 25.32 C ATOM 6 CG MET A -2 10.872 1.045 17.365 1.00 3.42 C ATOM 7 SD MET A -2 9.120 1.094 17.787 1.00 45.21 S ATOM 8 CE MET A -2 8.895 2.843 18.102 1.00 34.12 C ATOM 0 H1 MET A -2 11.390 -1.603 18.097 1.00 54.25 H new ATOM 0 H2 MET A -2 11.674 -2.876 17.010 1.00 54.25 H new ATOM 0 H3 MET A -2 12.684 -1.510 17.001 1.00 54.25 H new ATOM 0 HA MET A -2 9.804 -1.339 16.490 1.00 24.12 H new ATOM 0 HB2 MET A -2 12.190 0.422 15.798 1.00 25.32 H new ATOM 0 HB3 MET A -2 10.546 0.730 15.274 1.00 25.32 H new ATOM 0 HG2 MET A -2 11.424 0.574 18.178 1.00 3.42 H new ATOM 0 HG3 MET A -2 11.248 2.064 17.272 1.00 3.42 H new ATOM 0 HE1 MET A -2 7.857 3.033 18.376 1.00 34.12 H new ATOM 0 HE2 MET A -2 9.548 3.153 18.918 1.00 34.12 H new ATOM 0 HE3 MET A -2 9.143 3.409 17.204 1.00 34.12 H new ATOM 18 N GLY A -1 9.870 -2.244 14.192 1.00 1.43 N ATOM 19 CA GLY A -1 9.905 -2.870 12.883 1.00 13.04 C ATOM 20 C GLY A -1 9.833 -1.860 11.755 1.00 33.14 C ATOM 21 O GLY A -1 9.999 -0.659 11.976 1.00 21.25 O ATOM 0 H GLY A -1 8.938 -2.142 14.593 1.00 1.43 H new ATOM 0 HA2 GLY A -1 10.821 -3.453 12.787 1.00 13.04 H new ATOM 0 HA3 GLY A -1 9.072 -3.568 12.795 1.00 13.04 H new ATOM 25 N HIS A 0 9.589 -2.346 10.543 1.00 34.31 N ATOM 26 CA HIS A 0 9.498 -1.476 9.375 1.00 13.52 C ATOM 27 C HIS A 0 8.113 -1.560 8.742 1.00 25.41 C ATOM 28 O HIS A 0 7.521 -0.542 8.381 1.00 53.23 O ATOM 29 CB HIS A 0 10.565 -1.853 8.347 1.00 25.24 C ATOM 30 CG HIS A 0 11.966 -1.718 8.860 1.00 1.03 C ATOM 31 ND1 HIS A 0 13.011 -2.494 8.406 1.00 45.34 N ATOM 32 CD2 HIS A 0 12.490 -0.889 9.793 1.00 43.03 C ATOM 33 CE1 HIS A 0 14.119 -2.149 9.039 1.00 10.13 C ATOM 34 NE2 HIS A 0 13.830 -1.178 9.885 1.00 75.12 N ATOM 0 H HIS A 0 9.451 -3.337 10.343 1.00 34.31 H new ATOM 0 HA HIS A 0 9.667 -0.450 9.703 1.00 13.52 H new ATOM 0 HB2 HIS A 0 10.402 -2.882 8.027 1.00 25.24 H new ATOM 0 HB3 HIS A 0 10.447 -1.223 7.466 1.00 25.24 H new ATOM 0 HD2 HIS A 0 11.955 -0.141 10.359 1.00 43.03 H new ATOM 0 HE1 HIS A 0 15.095 -2.587 8.889 1.00 10.13 H new ATOM 0 HE2 HIS A 0 14.494 -0.717 10.507 1.00 75.12 H new ATOM 42 N HIS A 1 7.600 -2.779 8.610 1.00 21.22 N ATOM 43 CA HIS A 1 6.284 -2.996 8.019 1.00 52.03 C ATOM 44 C HIS A 1 5.183 -2.498 8.951 1.00 62.11 C ATOM 45 O HIS A 1 5.436 -2.178 10.113 1.00 54.41 O ATOM 46 CB HIS A 1 6.077 -4.480 7.713 1.00 31.50 C ATOM 47 CG HIS A 1 6.913 -4.978 6.574 1.00 2.14 C ATOM 48 ND1 HIS A 1 7.357 -4.164 5.553 1.00 14.01 N ATOM 49 CD2 HIS A 1 7.387 -6.215 6.300 1.00 4.13 C ATOM 50 CE1 HIS A 1 8.066 -4.880 4.699 1.00 32.44 C ATOM 51 NE2 HIS A 1 8.101 -6.128 5.130 1.00 32.12 N ATOM 0 H HIS A 1 8.076 -3.632 8.904 1.00 21.22 H new ATOM 0 HA HIS A 1 6.232 -2.431 7.088 1.00 52.03 H new ATOM 0 HB2 HIS A 1 6.308 -5.062 8.605 1.00 31.50 H new ATOM 0 HB3 HIS A 1 5.025 -4.652 7.484 1.00 31.50 H new ATOM 0 HD2 HIS A 1 7.233 -7.105 6.891 1.00 4.13 H new ATOM 0 HE1 HIS A 1 8.537 -4.508 3.801 1.00 32.44 H new ATOM 0 HE2 HIS A 1 8.580 -6.901 4.669 1.00 32.12 H new ATOM 59 N HIS A 2 3.960 -2.436 8.433 1.00 33.54 N ATOM 60 CA HIS A 2 2.819 -1.977 9.218 1.00 24.03 C ATOM 61 C HIS A 2 1.866 -3.129 9.516 1.00 63.52 C ATOM 62 O HIS A 2 1.223 -3.666 8.615 1.00 4.20 O ATOM 63 CB HIS A 2 2.078 -0.864 8.477 1.00 32.11 C ATOM 64 CG HIS A 2 2.826 0.433 8.439 1.00 2.22 C ATOM 65 ND1 HIS A 2 2.426 1.509 7.675 1.00 55.23 N ATOM 66 CD2 HIS A 2 3.953 0.824 9.078 1.00 45.43 C ATOM 67 CE1 HIS A 2 3.277 2.505 7.844 1.00 2.54 C ATOM 68 NE2 HIS A 2 4.212 2.116 8.692 1.00 72.04 N ATOM 0 H HIS A 2 3.734 -2.698 7.473 1.00 33.54 H new ATOM 0 HA HIS A 2 3.194 -1.586 10.164 1.00 24.03 H new ATOM 0 HB2 HIS A 2 1.879 -1.189 7.456 1.00 32.11 H new ATOM 0 HB3 HIS A 2 1.111 -0.702 8.954 1.00 32.11 H new ATOM 0 HD2 HIS A 2 4.539 0.230 9.764 1.00 45.43 H new ATOM 0 HE1 HIS A 2 3.218 3.473 7.369 1.00 2.54 H new ATOM 0 HE2 HIS A 2 4.998 2.683 9.009 1.00 72.04 H new ATOM 76 N HIS A 3 1.781 -3.507 10.789 1.00 13.21 N ATOM 77 CA HIS A 3 0.906 -4.596 11.206 1.00 42.42 C ATOM 78 C HIS A 3 -0.558 -4.167 11.157 1.00 63.20 C ATOM 79 O HIS A 3 -0.953 -3.197 11.804 1.00 2.02 O ATOM 80 CB HIS A 3 1.268 -5.056 12.619 1.00 1.22 C ATOM 81 CG HIS A 3 2.415 -6.018 12.660 1.00 65.11 C ATOM 82 ND1 HIS A 3 3.056 -6.374 13.828 1.00 71.31 N ATOM 83 CD2 HIS A 3 3.035 -6.699 11.669 1.00 41.43 C ATOM 84 CE1 HIS A 3 4.022 -7.232 13.553 1.00 65.21 C ATOM 85 NE2 HIS A 3 4.030 -7.446 12.249 1.00 12.34 N ATOM 0 H HIS A 3 2.308 -3.075 11.548 1.00 13.21 H new ATOM 0 HA HIS A 3 1.046 -5.427 10.514 1.00 42.42 H new ATOM 0 HB2 HIS A 3 1.514 -4.184 13.224 1.00 1.22 H new ATOM 0 HB3 HIS A 3 0.395 -5.524 13.075 1.00 1.22 H new ATOM 0 HD2 HIS A 3 2.792 -6.662 10.617 1.00 41.43 H new ATOM 0 HE1 HIS A 3 4.691 -7.682 14.271 1.00 65.21 H new ATOM 0 HE2 HIS A 3 4.671 -8.066 11.754 1.00 12.34 H new ATOM 93 N HIS A 4 -1.357 -4.896 10.384 1.00 40.35 N ATOM 94 CA HIS A 4 -2.777 -4.591 10.251 1.00 22.10 C ATOM 95 C HIS A 4 -3.631 -5.721 10.817 1.00 74.02 C ATOM 96 O HIS A 4 -4.626 -5.477 11.502 1.00 44.32 O ATOM 97 CB HIS A 4 -3.133 -4.353 8.783 1.00 1.30 C ATOM 98 CG HIS A 4 -2.863 -2.955 8.319 1.00 5.31 C ATOM 99 ND1 HIS A 4 -1.593 -2.473 8.082 1.00 64.23 N ATOM 100 CD2 HIS A 4 -3.708 -1.934 8.047 1.00 51.54 C ATOM 101 CE1 HIS A 4 -1.668 -1.215 7.686 1.00 54.22 C ATOM 102 NE2 HIS A 4 -2.941 -0.864 7.655 1.00 4.14 N ATOM 0 H HIS A 4 -1.046 -5.701 9.841 1.00 40.35 H new ATOM 0 HA HIS A 4 -2.984 -3.684 10.819 1.00 22.10 H new ATOM 0 HB2 HIS A 4 -2.567 -5.048 8.163 1.00 1.30 H new ATOM 0 HB3 HIS A 4 -4.189 -4.579 8.633 1.00 1.30 H new ATOM 0 HD1 HIS A 4 -0.730 -3.005 8.195 1.00 64.23 H new ATOM 0 HD2 HIS A 4 -4.785 -1.956 8.124 1.00 51.54 H new ATOM 0 HE1 HIS A 4 -0.831 -0.582 7.431 1.00 54.22 H new ATOM 110 N HIS A 5 -3.238 -6.956 10.528 1.00 60.24 N ATOM 111 CA HIS A 5 -3.968 -8.124 11.009 1.00 11.12 C ATOM 112 C HIS A 5 -3.959 -8.180 12.533 1.00 33.24 C ATOM 113 O HIS A 5 -3.080 -7.611 13.182 1.00 12.22 O ATOM 114 CB HIS A 5 -3.358 -9.404 10.437 1.00 22.12 C ATOM 115 CG HIS A 5 -2.025 -9.748 11.026 1.00 33.15 C ATOM 116 ND1 HIS A 5 -0.870 -9.053 10.733 1.00 43.31 N ATOM 117 CD2 HIS A 5 -1.666 -10.720 11.897 1.00 2.04 C ATOM 118 CE1 HIS A 5 0.140 -9.583 11.397 1.00 73.02 C ATOM 119 NE2 HIS A 5 -0.316 -10.596 12.111 1.00 44.41 N ATOM 0 H HIS A 5 -2.418 -7.175 9.963 1.00 60.24 H new ATOM 0 HA HIS A 5 -5.001 -8.040 10.672 1.00 11.12 H new ATOM 0 HB2 HIS A 5 -4.046 -10.232 10.608 1.00 22.12 H new ATOM 0 HB3 HIS A 5 -3.252 -9.295 9.358 1.00 22.12 H new ATOM 0 HD2 HIS A 5 -2.320 -11.456 12.341 1.00 2.04 H new ATOM 0 HE1 HIS A 5 1.165 -9.246 11.362 1.00 73.02 H new ATOM 0 HE2 HIS A 5 0.244 -11.190 12.722 1.00 44.41 H new ATOM 127 N THR A 6 -4.944 -8.869 13.101 1.00 44.42 N ATOM 128 CA THR A 6 -5.051 -8.998 14.549 1.00 11.22 C ATOM 129 C THR A 6 -4.388 -10.280 15.038 1.00 23.31 C ATOM 130 O THR A 6 -4.279 -11.257 14.297 1.00 44.55 O ATOM 131 CB THR A 6 -6.522 -8.988 15.007 1.00 11.30 C ATOM 132 OG1 THR A 6 -7.247 -7.972 14.304 1.00 25.35 O ATOM 133 CG2 THR A 6 -6.622 -8.744 16.505 1.00 51.53 C ATOM 0 H THR A 6 -5.679 -9.346 12.580 1.00 44.42 H new ATOM 0 HA THR A 6 -4.537 -8.139 14.981 1.00 11.22 H new ATOM 0 HB THR A 6 -6.955 -9.963 14.785 1.00 11.30 H new ATOM 0 HG1 THR A 6 -8.181 -7.973 14.599 1.00 25.35 H new ATOM 0 HG21 THR A 6 -7.670 -8.741 16.804 1.00 51.53 H new ATOM 0 HG22 THR A 6 -6.094 -9.535 17.038 1.00 51.53 H new ATOM 0 HG23 THR A 6 -6.173 -7.781 16.748 1.00 51.53 H new ATOM 141 N LYS A 7 -3.945 -10.272 16.291 1.00 74.22 N ATOM 142 CA LYS A 7 -3.293 -11.435 16.880 1.00 52.34 C ATOM 143 C LYS A 7 -3.971 -11.834 18.188 1.00 44.13 C ATOM 144 O LYS A 7 -4.251 -10.989 19.037 1.00 11.03 O ATOM 145 CB LYS A 7 -1.812 -11.143 17.131 1.00 74.23 C ATOM 146 CG LYS A 7 -1.561 -9.808 17.809 1.00 71.23 C ATOM 147 CD LYS A 7 -1.293 -8.708 16.795 1.00 12.54 C ATOM 148 CE LYS A 7 -1.746 -7.351 17.311 1.00 45.02 C ATOM 149 NZ LYS A 7 -1.904 -6.363 16.208 1.00 71.41 N1+ ATOM 0 H LYS A 7 -4.026 -9.472 16.918 1.00 74.22 H new ATOM 0 HA LYS A 7 -3.380 -12.264 16.177 1.00 52.34 H new ATOM 0 HB2 LYS A 7 -1.393 -11.938 17.748 1.00 74.23 H new ATOM 0 HB3 LYS A 7 -1.280 -11.163 16.180 1.00 74.23 H new ATOM 0 HG2 LYS A 7 -2.425 -9.540 18.418 1.00 71.23 H new ATOM 0 HG3 LYS A 7 -0.710 -9.896 18.484 1.00 71.23 H new ATOM 0 HD2 LYS A 7 -0.228 -8.674 16.566 1.00 12.54 H new ATOM 0 HD3 LYS A 7 -1.812 -8.936 15.864 1.00 12.54 H new ATOM 0 HE2 LYS A 7 -2.693 -7.461 17.839 1.00 45.02 H new ATOM 0 HE3 LYS A 7 -1.021 -6.976 18.033 1.00 45.02 H new ATOM 0 HZ1 LYS A 7 -2.214 -5.451 16.601 1.00 71.41 H new ATOM 0 HZ2 LYS A 7 -0.994 -6.239 15.720 1.00 71.41 H new ATOM 0 HZ3 LYS A 7 -2.615 -6.708 15.532 1.00 71.41 H new ATOM 163 N GLY A 8 -4.232 -13.129 18.342 1.00 4.54 N ATOM 164 CA GLY A 8 -4.874 -13.617 19.548 1.00 1.12 C ATOM 165 C GLY A 8 -6.381 -13.462 19.507 1.00 12.44 C ATOM 166 O GLY A 8 -6.894 -12.363 19.296 1.00 42.34 O ATOM 0 H GLY A 8 -4.010 -13.848 17.653 1.00 4.54 H new ATOM 0 HA2 GLY A 8 -4.624 -14.669 19.689 1.00 1.12 H new ATOM 0 HA3 GLY A 8 -4.480 -13.078 20.409 1.00 1.12 H new ATOM 170 N ASN A 9 -7.094 -14.565 19.708 1.00 51.20 N ATOM 171 CA ASN A 9 -8.553 -14.547 19.690 1.00 63.11 C ATOM 172 C ASN A 9 -9.121 -15.665 20.560 1.00 4.24 C ATOM 173 O ASN A 9 -8.865 -16.844 20.319 1.00 20.25 O ATOM 174 CB ASN A 9 -9.067 -14.689 18.257 1.00 62.31 C ATOM 175 CG ASN A 9 -10.542 -15.041 18.204 1.00 62.52 C ATOM 176 OD1 ASN A 9 -11.356 -14.288 18.933 1.00 73.41 O flip ATOM 177 ND2 ASN A 9 -10.943 -15.979 17.516 1.00 54.03 N flip ATOM 0 H ASN A 9 -6.686 -15.483 19.885 1.00 51.20 H new ATOM 0 HA ASN A 9 -8.886 -13.591 20.095 1.00 63.11 H new ATOM 0 HB2 ASN A 9 -8.899 -13.756 17.720 1.00 62.31 H new ATOM 0 HB3 ASN A 9 -8.493 -15.460 17.743 1.00 62.31 H new ATOM 0 HD21 ASN A 9 -10.281 -16.531 16.971 1.00 54.03 H new ATOM 0 HD22 ASN A 9 -11.938 -16.204 17.491 1.00 54.03 H new ATOM 184 N VAL A 10 -9.894 -15.285 21.572 1.00 11.42 N ATOM 185 CA VAL A 10 -10.501 -16.253 22.477 1.00 24.54 C ATOM 186 C VAL A 10 -12.001 -16.374 22.228 1.00 65.31 C ATOM 187 O VAL A 10 -12.708 -15.371 22.130 1.00 73.33 O ATOM 188 CB VAL A 10 -10.265 -15.871 23.949 1.00 72.34 C ATOM 189 CG1 VAL A 10 -10.743 -16.980 24.874 1.00 4.15 C ATOM 190 CG2 VAL A 10 -8.795 -15.561 24.190 1.00 42.41 C ATOM 0 H VAL A 10 -10.115 -14.312 21.786 1.00 11.42 H new ATOM 0 HA VAL A 10 -10.024 -17.213 22.278 1.00 24.54 H new ATOM 0 HB VAL A 10 -10.843 -14.974 24.169 1.00 72.34 H new ATOM 0 HG11 VAL A 10 -10.567 -16.691 25.910 1.00 4.15 H new ATOM 0 HG12 VAL A 10 -11.809 -17.148 24.720 1.00 4.15 H new ATOM 0 HG13 VAL A 10 -10.196 -17.897 24.656 1.00 4.15 H new ATOM 0 HG21 VAL A 10 -8.646 -15.293 25.236 1.00 42.41 H new ATOM 0 HG22 VAL A 10 -8.194 -16.439 23.952 1.00 42.41 H new ATOM 0 HG23 VAL A 10 -8.490 -14.729 23.555 1.00 42.41 H new ATOM 200 N THR A 11 -12.481 -17.610 22.127 1.00 10.10 N ATOM 201 CA THR A 11 -13.896 -17.862 21.887 1.00 34.03 C ATOM 202 C THR A 11 -14.412 -18.985 22.780 1.00 20.04 C ATOM 203 O THR A 11 -13.634 -19.784 23.301 1.00 73.43 O ATOM 204 CB THR A 11 -14.162 -18.229 20.415 1.00 22.23 C ATOM 205 OG1 THR A 11 -13.036 -18.931 19.876 1.00 45.23 O ATOM 206 CG2 THR A 11 -14.433 -16.982 19.588 1.00 3.03 C ATOM 0 H THR A 11 -11.910 -18.452 22.208 1.00 10.10 H new ATOM 0 HA THR A 11 -14.425 -16.939 22.123 1.00 34.03 H new ATOM 0 HB THR A 11 -15.043 -18.870 20.375 1.00 22.23 H new ATOM 0 HG1 THR A 11 -13.212 -19.163 18.940 1.00 45.23 H new ATOM 0 HG21 THR A 11 -14.618 -17.266 18.552 1.00 3.03 H new ATOM 0 HG22 THR A 11 -15.307 -16.465 19.984 1.00 3.03 H new ATOM 0 HG23 THR A 11 -13.568 -16.320 19.634 1.00 3.03 H new ATOM 214 N SER A 12 -15.729 -19.039 22.954 1.00 72.20 N ATOM 215 CA SER A 12 -16.349 -20.063 23.787 1.00 63.13 C ATOM 216 C SER A 12 -16.384 -21.405 23.062 1.00 64.31 C ATOM 217 O SER A 12 -16.389 -21.460 21.832 1.00 41.10 O ATOM 218 CB SER A 12 -17.767 -19.643 24.177 1.00 31.13 C ATOM 219 OG SER A 12 -18.735 -20.414 23.487 1.00 24.24 O ATOM 0 H SER A 12 -16.387 -18.386 22.529 1.00 72.20 H new ATOM 0 HA SER A 12 -15.750 -20.174 24.691 1.00 63.13 H new ATOM 0 HB2 SER A 12 -17.902 -19.762 25.252 1.00 31.13 H new ATOM 0 HB3 SER A 12 -17.911 -18.586 23.952 1.00 31.13 H new ATOM 0 HG SER A 12 -19.440 -20.688 24.110 1.00 24.24 H new ATOM 225 N LYS A 13 -16.410 -22.486 23.833 1.00 44.22 N ATOM 226 CA LYS A 13 -16.446 -23.830 23.268 1.00 60.22 C ATOM 227 C LYS A 13 -17.877 -24.356 23.209 1.00 54.30 C ATOM 228 O LYS A 13 -18.103 -25.547 22.987 1.00 2.34 O ATOM 229 CB LYS A 13 -15.577 -24.778 24.097 1.00 51.22 C ATOM 230 CG LYS A 13 -15.157 -26.030 23.346 1.00 2.31 C ATOM 231 CD LYS A 13 -14.314 -26.946 24.217 1.00 13.33 C ATOM 232 CE LYS A 13 -13.944 -28.227 23.485 1.00 53.45 C ATOM 233 NZ LYS A 13 -13.256 -27.948 22.194 1.00 51.21 N1+ ATOM 0 H LYS A 13 -16.407 -22.458 24.853 1.00 44.22 H new ATOM 0 HA LYS A 13 -16.052 -23.781 22.253 1.00 60.22 H new ATOM 0 HB2 LYS A 13 -14.685 -24.245 24.426 1.00 51.22 H new ATOM 0 HB3 LYS A 13 -16.124 -25.069 24.994 1.00 51.22 H new ATOM 0 HG2 LYS A 13 -16.043 -26.565 23.005 1.00 2.31 H new ATOM 0 HG3 LYS A 13 -14.592 -25.750 22.457 1.00 2.31 H new ATOM 0 HD2 LYS A 13 -13.406 -26.425 24.523 1.00 13.33 H new ATOM 0 HD3 LYS A 13 -14.862 -27.191 25.127 1.00 13.33 H new ATOM 0 HE2 LYS A 13 -13.296 -28.833 24.118 1.00 53.45 H new ATOM 0 HE3 LYS A 13 -14.845 -28.812 23.298 1.00 53.45 H new ATOM 0 HZ1 LYS A 13 -12.842 -28.827 21.824 1.00 51.21 H new ATOM 0 HZ2 LYS A 13 -13.943 -27.574 21.508 1.00 51.21 H new ATOM 0 HZ3 LYS A 13 -12.502 -27.248 22.346 1.00 51.21 H new ATOM 247 N THR A 14 -18.841 -23.462 23.407 1.00 41.41 N ATOM 248 CA THR A 14 -20.249 -23.836 23.375 1.00 75.14 C ATOM 249 C THR A 14 -20.844 -23.620 21.988 1.00 53.42 C ATOM 250 O THR A 14 -21.348 -24.556 21.366 1.00 1.11 O ATOM 251 CB THR A 14 -21.067 -23.032 24.404 1.00 22.31 C ATOM 252 OG1 THR A 14 -20.933 -21.630 24.148 1.00 34.11 O ATOM 253 CG2 THR A 14 -20.608 -23.342 25.820 1.00 0.42 C ATOM 0 H THR A 14 -18.672 -22.473 23.591 1.00 41.41 H new ATOM 0 HA THR A 14 -20.301 -24.895 23.628 1.00 75.14 H new ATOM 0 HB THR A 14 -22.114 -23.319 24.308 1.00 22.31 H new ATOM 0 HG1 THR A 14 -21.457 -21.126 24.805 1.00 34.11 H new ATOM 0 HG21 THR A 14 -21.200 -22.763 26.529 1.00 0.42 H new ATOM 0 HG22 THR A 14 -20.740 -24.405 26.021 1.00 0.42 H new ATOM 0 HG23 THR A 14 -19.555 -23.080 25.927 1.00 0.42 H new ATOM 261 N ASP A 15 -20.784 -22.383 21.510 1.00 13.30 N ATOM 262 CA ASP A 15 -21.315 -22.045 20.195 1.00 3.24 C ATOM 263 C ASP A 15 -20.214 -21.512 19.283 1.00 54.23 C ATOM 264 O ASP A 15 -20.298 -21.622 18.062 1.00 30.21 O ATOM 265 CB ASP A 15 -22.432 -21.009 20.325 1.00 34.54 C ATOM 266 CG ASP A 15 -23.717 -21.606 20.866 1.00 5.42 C ATOM 267 OD1 ASP A 15 -24.627 -20.830 21.226 1.00 25.13 O ATOM 268 OD2 ASP A 15 -23.811 -22.850 20.928 1.00 72.52 O1- ATOM 0 H ASP A 15 -20.373 -21.597 22.013 1.00 13.30 H new ATOM 0 HA ASP A 15 -21.721 -22.954 19.750 1.00 3.24 H new ATOM 0 HB2 ASP A 15 -22.103 -20.205 20.984 1.00 34.54 H new ATOM 0 HB3 ASP A 15 -22.625 -20.563 19.349 1.00 34.54 H new ATOM 273 N GLY A 16 -19.181 -20.933 19.888 1.00 45.50 N ATOM 274 CA GLY A 16 -18.078 -20.391 19.116 1.00 13.14 C ATOM 275 C GLY A 16 -18.102 -18.877 19.057 1.00 50.04 C ATOM 276 O GLY A 16 -17.634 -18.280 18.087 1.00 53.34 O ATOM 0 H GLY A 16 -19.088 -20.830 20.899 1.00 45.50 H new ATOM 0 HA2 GLY A 16 -17.136 -20.720 19.554 1.00 13.14 H new ATOM 0 HA3 GLY A 16 -18.116 -20.792 18.103 1.00 13.14 H new ATOM 280 N GLN A 17 -18.647 -18.254 20.097 1.00 15.14 N ATOM 281 CA GLN A 17 -18.731 -16.798 20.157 1.00 71.43 C ATOM 282 C GLN A 17 -17.495 -16.209 20.828 1.00 32.32 C ATOM 283 O GLN A 17 -16.763 -16.892 21.546 1.00 12.20 O ATOM 284 CB GLN A 17 -19.990 -16.370 20.914 1.00 54.31 C ATOM 285 CG GLN A 17 -21.213 -16.223 20.024 1.00 63.40 C ATOM 286 CD GLN A 17 -22.496 -16.068 20.818 1.00 73.24 C ATOM 287 OE1 GLN A 17 -22.498 -16.179 22.044 1.00 3.00 O ATOM 288 NE2 GLN A 17 -23.596 -15.808 20.121 1.00 74.15 N ATOM 0 H GLN A 17 -19.037 -18.733 20.909 1.00 15.14 H new ATOM 0 HA GLN A 17 -18.783 -16.419 19.136 1.00 71.43 H new ATOM 0 HB2 GLN A 17 -20.203 -17.103 21.692 1.00 54.31 H new ATOM 0 HB3 GLN A 17 -19.798 -15.421 21.414 1.00 54.31 H new ATOM 0 HG2 GLN A 17 -21.084 -15.356 19.376 1.00 63.40 H new ATOM 0 HG3 GLN A 17 -21.294 -17.096 19.377 1.00 63.40 H new ATOM 0 HE21 GLN A 17 -23.548 -15.724 19.106 1.00 74.15 H new ATOM 0 HE22 GLN A 17 -24.488 -15.692 20.601 1.00 74.15 H new ATOM 297 N PRO A 18 -17.254 -14.912 20.590 1.00 51.11 N ATOM 298 CA PRO A 18 -16.106 -14.202 21.163 1.00 61.23 C ATOM 299 C PRO A 18 -16.240 -14.002 22.668 1.00 5.35 C ATOM 300 O PRO A 18 -17.307 -13.639 23.163 1.00 41.13 O ATOM 301 CB PRO A 18 -16.127 -12.852 20.440 1.00 11.54 C ATOM 302 CG PRO A 18 -17.548 -12.662 20.034 1.00 0.34 C ATOM 303 CD PRO A 18 -18.084 -14.037 19.745 1.00 14.12 C ATOM 0 HA PRO A 18 -15.177 -14.757 21.032 1.00 61.23 H new ATOM 0 HB2 PRO A 18 -15.791 -12.047 21.094 1.00 11.54 H new ATOM 0 HB3 PRO A 18 -15.465 -12.856 19.574 1.00 11.54 H new ATOM 0 HG2 PRO A 18 -18.119 -12.179 20.827 1.00 0.34 H new ATOM 0 HG3 PRO A 18 -17.620 -12.022 19.154 1.00 0.34 H new ATOM 0 HD2 PRO A 18 -19.141 -14.118 19.999 1.00 14.12 H new ATOM 0 HD3 PRO A 18 -17.990 -14.291 18.689 1.00 14.12 H new ATOM 311 N ILE A 19 -15.150 -14.240 23.392 1.00 51.31 N ATOM 312 CA ILE A 19 -15.148 -14.085 24.840 1.00 72.32 C ATOM 313 C ILE A 19 -14.816 -12.651 25.238 1.00 61.13 C ATOM 314 O ILE A 19 -13.768 -12.119 24.868 1.00 31.30 O ATOM 315 CB ILE A 19 -14.137 -15.037 25.507 1.00 71.32 C ATOM 316 CG1 ILE A 19 -14.465 -16.490 25.156 1.00 63.22 C ATOM 317 CG2 ILE A 19 -14.136 -14.838 27.015 1.00 24.05 C ATOM 318 CD1 ILE A 19 -15.802 -16.953 25.690 1.00 75.31 C ATOM 0 H ILE A 19 -14.258 -14.541 22.998 1.00 51.31 H new ATOM 0 HA ILE A 19 -16.152 -14.333 25.185 1.00 72.32 H new ATOM 0 HB ILE A 19 -13.140 -14.807 25.130 1.00 71.32 H new ATOM 0 HG12 ILE A 19 -14.456 -16.604 24.072 1.00 63.22 H new ATOM 0 HG13 ILE A 19 -13.681 -17.137 25.551 1.00 63.22 H new ATOM 0 HG21 ILE A 19 -13.417 -15.518 27.471 1.00 24.05 H new ATOM 0 HG22 ILE A 19 -13.860 -13.809 27.246 1.00 24.05 H new ATOM 0 HG23 ILE A 19 -15.131 -15.044 27.410 1.00 24.05 H new ATOM 0 HD11 ILE A 19 -15.968 -17.991 25.403 1.00 75.31 H new ATOM 0 HD12 ILE A 19 -15.808 -16.871 26.777 1.00 75.31 H new ATOM 0 HD13 ILE A 19 -16.595 -16.331 25.275 1.00 75.31 H new ATOM 330 N ILE A 20 -15.714 -12.029 25.996 1.00 0.14 N ATOM 331 CA ILE A 20 -15.515 -10.657 26.447 1.00 33.25 C ATOM 332 C ILE A 20 -15.201 -10.609 27.939 1.00 4.43 C ATOM 333 O ILE A 20 -15.924 -11.179 28.755 1.00 31.01 O ATOM 334 CB ILE A 20 -16.754 -9.788 26.166 1.00 33.04 C ATOM 335 CG1 ILE A 20 -17.238 -9.998 24.730 1.00 32.15 C ATOM 336 CG2 ILE A 20 -16.439 -8.321 26.417 1.00 11.11 C ATOM 337 CD1 ILE A 20 -18.456 -9.174 24.376 1.00 42.20 C ATOM 0 H ILE A 20 -16.586 -12.454 26.310 1.00 0.14 H new ATOM 0 HA ILE A 20 -14.668 -10.260 25.887 1.00 33.25 H new ATOM 0 HB ILE A 20 -17.552 -10.089 26.844 1.00 33.04 H new ATOM 0 HG12 ILE A 20 -16.429 -9.750 24.043 1.00 32.15 H new ATOM 0 HG13 ILE A 20 -17.468 -11.053 24.583 1.00 32.15 H new ATOM 0 HG21 ILE A 20 -17.325 -7.719 26.214 1.00 11.11 H new ATOM 0 HG22 ILE A 20 -16.139 -8.186 27.456 1.00 11.11 H new ATOM 0 HG23 ILE A 20 -15.628 -8.006 25.761 1.00 11.11 H new ATOM 0 HD11 ILE A 20 -18.743 -9.374 23.344 1.00 42.20 H new ATOM 0 HD12 ILE A 20 -19.280 -9.439 25.039 1.00 42.20 H new ATOM 0 HD13 ILE A 20 -18.224 -8.115 24.490 1.00 42.20 H new ATOM 349 N GLY A 21 -14.115 -9.924 28.287 1.00 4.13 N ATOM 350 CA GLY A 21 -13.725 -9.812 29.680 1.00 62.52 C ATOM 351 C GLY A 21 -12.865 -10.974 30.137 1.00 10.52 C ATOM 352 O GLY A 21 -12.932 -11.388 31.294 1.00 13.11 O ATOM 0 H GLY A 21 -13.499 -9.445 27.629 1.00 4.13 H new ATOM 0 HA2 GLY A 21 -13.179 -8.880 29.827 1.00 62.52 H new ATOM 0 HA3 GLY A 21 -14.619 -9.759 30.301 1.00 62.52 H new ATOM 356 N ALA A 22 -12.055 -11.503 29.225 1.00 14.24 N ATOM 357 CA ALA A 22 -11.179 -12.624 29.539 1.00 24.05 C ATOM 358 C ALA A 22 -9.820 -12.136 30.031 1.00 13.45 C ATOM 359 O ALA A 22 -9.170 -11.318 29.379 1.00 23.13 O ATOM 360 CB ALA A 22 -11.011 -13.520 28.322 1.00 63.11 C ATOM 0 H ALA A 22 -11.988 -11.172 28.262 1.00 14.24 H new ATOM 0 HA ALA A 22 -11.641 -13.201 30.340 1.00 24.05 H new ATOM 0 HB1 ALA A 22 -10.354 -14.353 28.572 1.00 63.11 H new ATOM 0 HB2 ALA A 22 -11.984 -13.904 28.016 1.00 63.11 H new ATOM 0 HB3 ALA A 22 -10.574 -12.946 27.505 1.00 63.11 H new ATOM 366 N SER A 23 -9.397 -12.642 31.185 1.00 20.43 N ATOM 367 CA SER A 23 -8.117 -12.255 31.767 1.00 45.41 C ATOM 368 C SER A 23 -6.958 -12.870 30.987 1.00 32.33 C ATOM 369 O SER A 23 -6.712 -14.073 31.065 1.00 40.44 O ATOM 370 CB SER A 23 -8.047 -12.686 33.233 1.00 52.44 C ATOM 371 OG SER A 23 -7.195 -11.833 33.975 1.00 21.24 O ATOM 0 H SER A 23 -9.922 -13.321 31.736 1.00 20.43 H new ATOM 0 HA SER A 23 -8.034 -11.170 31.712 1.00 45.41 H new ATOM 0 HB2 SER A 23 -9.047 -12.674 33.667 1.00 52.44 H new ATOM 0 HB3 SER A 23 -7.685 -13.712 33.297 1.00 52.44 H new ATOM 0 HG SER A 23 -7.169 -12.129 34.909 1.00 21.24 H new ATOM 377 N VAL A 24 -6.248 -12.033 30.237 1.00 70.10 N ATOM 378 CA VAL A 24 -5.114 -12.493 29.443 1.00 11.40 C ATOM 379 C VAL A 24 -3.802 -11.947 29.994 1.00 21.15 C ATOM 380 O VAL A 24 -3.498 -10.764 29.845 1.00 75.44 O ATOM 381 CB VAL A 24 -5.254 -12.072 27.969 1.00 12.12 C ATOM 382 CG1 VAL A 24 -4.168 -12.720 27.123 1.00 65.33 C ATOM 383 CG2 VAL A 24 -6.635 -12.430 27.440 1.00 64.12 C ATOM 0 H VAL A 24 -6.438 -11.034 30.162 1.00 70.10 H new ATOM 0 HA VAL A 24 -5.105 -13.581 29.502 1.00 11.40 H new ATOM 0 HB VAL A 24 -5.135 -10.990 27.907 1.00 12.12 H new ATOM 0 HG11 VAL A 24 -4.283 -12.411 26.084 1.00 65.33 H new ATOM 0 HG12 VAL A 24 -3.189 -12.410 27.488 1.00 65.33 H new ATOM 0 HG13 VAL A 24 -4.253 -13.805 27.190 1.00 65.33 H new ATOM 0 HG21 VAL A 24 -6.715 -12.125 26.397 1.00 64.12 H new ATOM 0 HG22 VAL A 24 -6.786 -13.507 27.516 1.00 64.12 H new ATOM 0 HG23 VAL A 24 -7.395 -11.915 28.028 1.00 64.12 H new ATOM 393 N VAL A 25 -3.027 -12.819 30.632 1.00 54.40 N ATOM 394 CA VAL A 25 -1.745 -12.425 31.204 1.00 74.22 C ATOM 395 C VAL A 25 -0.590 -13.132 30.503 1.00 74.52 C ATOM 396 O VAL A 25 -0.742 -14.247 30.007 1.00 52.34 O ATOM 397 CB VAL A 25 -1.684 -12.737 32.712 1.00 4.15 C ATOM 398 CG1 VAL A 25 -2.905 -12.175 33.423 1.00 41.31 C ATOM 399 CG2 VAL A 25 -1.566 -14.236 32.941 1.00 31.03 C ATOM 0 H VAL A 25 -3.265 -13.802 30.766 1.00 54.40 H new ATOM 0 HA VAL A 25 -1.650 -11.349 31.059 1.00 74.22 H new ATOM 0 HB VAL A 25 -0.798 -12.258 33.129 1.00 4.15 H new ATOM 0 HG11 VAL A 25 -2.845 -12.405 34.487 1.00 41.31 H new ATOM 0 HG12 VAL A 25 -2.940 -11.094 33.287 1.00 41.31 H new ATOM 0 HG13 VAL A 25 -3.807 -12.623 33.006 1.00 41.31 H new ATOM 0 HG21 VAL A 25 -1.524 -14.438 34.011 1.00 31.03 H new ATOM 0 HG22 VAL A 25 -2.432 -14.739 32.510 1.00 31.03 H new ATOM 0 HG23 VAL A 25 -0.658 -14.606 32.466 1.00 31.03 H new ATOM 409 N GLU A 26 0.565 -12.475 30.469 1.00 60.03 N ATOM 410 CA GLU A 26 1.746 -13.040 29.828 1.00 2.03 C ATOM 411 C GLU A 26 2.600 -13.803 30.838 1.00 74.12 C ATOM 412 O GLU A 26 2.803 -13.350 31.965 1.00 32.34 O ATOM 413 CB GLU A 26 2.578 -11.935 29.173 1.00 54.12 C ATOM 414 CG GLU A 26 1.803 -11.113 28.156 1.00 11.04 C ATOM 415 CD GLU A 26 0.918 -10.066 28.805 1.00 42.11 C ATOM 416 OE1 GLU A 26 -0.292 -10.326 28.963 1.00 1.54 O ATOM 417 OE2 GLU A 26 1.438 -8.985 29.156 1.00 73.20 O1- ATOM 0 H GLU A 26 0.708 -11.551 30.878 1.00 60.03 H new ATOM 0 HA GLU A 26 1.412 -13.737 29.059 1.00 2.03 H new ATOM 0 HB2 GLU A 26 2.961 -11.272 29.949 1.00 54.12 H new ATOM 0 HB3 GLU A 26 3.442 -12.384 28.683 1.00 54.12 H new ATOM 0 HG2 GLU A 26 2.504 -10.623 27.480 1.00 11.04 H new ATOM 0 HG3 GLU A 26 1.188 -11.778 27.550 1.00 11.04 H new ATOM 424 N THR A 27 3.096 -14.965 30.424 1.00 32.44 N ATOM 425 CA THR A 27 3.927 -15.792 31.291 1.00 21.42 C ATOM 426 C THR A 27 5.135 -15.016 31.800 1.00 43.23 C ATOM 427 O THR A 27 5.580 -15.210 32.932 1.00 52.43 O ATOM 428 CB THR A 27 4.415 -17.057 30.561 1.00 43.33 C ATOM 429 OG1 THR A 27 4.818 -16.729 29.227 1.00 43.23 O ATOM 430 CG2 THR A 27 3.321 -18.115 30.520 1.00 11.11 C ATOM 0 H THR A 27 2.937 -15.354 29.495 1.00 32.44 H new ATOM 0 HA THR A 27 3.305 -16.086 32.137 1.00 21.42 H new ATOM 0 HB THR A 27 5.267 -17.459 31.109 1.00 43.33 H new ATOM 0 HG1 THR A 27 4.042 -16.777 28.630 1.00 43.23 H new ATOM 0 HG21 THR A 27 3.689 -18.999 29.999 1.00 11.11 H new ATOM 0 HG22 THR A 27 3.037 -18.385 31.537 1.00 11.11 H new ATOM 0 HG23 THR A 27 2.452 -17.720 29.994 1.00 11.11 H new ATOM 438 N THR A 28 5.664 -14.133 30.958 1.00 30.42 N ATOM 439 CA THR A 28 6.821 -13.326 31.323 1.00 4.41 C ATOM 440 C THR A 28 6.400 -11.937 31.787 1.00 13.12 C ATOM 441 O THR A 28 7.139 -11.261 32.502 1.00 64.00 O ATOM 442 CB THR A 28 7.802 -13.185 30.142 1.00 64.03 C ATOM 443 OG1 THR A 28 7.169 -12.492 29.060 1.00 63.55 O ATOM 444 CG2 THR A 28 8.278 -14.550 29.668 1.00 20.21 C ATOM 0 H THR A 28 5.309 -13.959 30.018 1.00 30.42 H new ATOM 0 HA THR A 28 7.321 -13.843 32.142 1.00 4.41 H new ATOM 0 HB THR A 28 8.666 -12.615 30.482 1.00 64.03 H new ATOM 0 HG1 THR A 28 7.799 -12.405 28.314 1.00 63.55 H new ATOM 0 HG21 THR A 28 8.969 -14.425 28.834 1.00 20.21 H new ATOM 0 HG22 THR A 28 8.785 -15.063 30.486 1.00 20.21 H new ATOM 0 HG23 THR A 28 7.422 -15.142 29.344 1.00 20.21 H new ATOM 452 N ALA A 29 5.207 -11.519 31.377 1.00 21.15 N ATOM 453 CA ALA A 29 4.686 -10.210 31.754 1.00 63.21 C ATOM 454 C ALA A 29 3.239 -10.311 32.226 1.00 61.33 C ATOM 455 O ALA A 29 2.328 -9.786 31.585 1.00 2.51 O ATOM 456 CB ALA A 29 4.797 -9.242 30.586 1.00 62.41 C ATOM 0 H ALA A 29 4.583 -12.067 30.784 1.00 21.15 H new ATOM 0 HA ALA A 29 5.285 -9.832 32.582 1.00 63.21 H new ATOM 0 HB1 ALA A 29 4.405 -8.269 30.881 1.00 62.41 H new ATOM 0 HB2 ALA A 29 5.843 -9.139 30.297 1.00 62.41 H new ATOM 0 HB3 ALA A 29 4.223 -9.624 29.741 1.00 62.41 H new ATOM 462 N THR A 30 3.034 -10.989 33.350 1.00 64.05 N ATOM 463 CA THR A 30 1.698 -11.160 33.907 1.00 52.03 C ATOM 464 C THR A 30 1.128 -9.831 34.388 1.00 44.32 C ATOM 465 O THR A 30 -0.073 -9.582 34.282 1.00 33.44 O ATOM 466 CB THR A 30 1.701 -12.158 35.080 1.00 73.01 C ATOM 467 OG1 THR A 30 2.916 -12.032 35.828 1.00 1.52 O ATOM 468 CG2 THR A 30 1.558 -13.586 34.575 1.00 41.22 C ATOM 0 H THR A 30 3.777 -11.429 33.893 1.00 64.05 H new ATOM 0 HA THR A 30 1.071 -11.553 33.107 1.00 52.03 H new ATOM 0 HB THR A 30 0.852 -11.929 35.725 1.00 73.01 H new ATOM 0 HG1 THR A 30 2.909 -12.669 36.573 1.00 1.52 H new ATOM 0 HG21 THR A 30 1.563 -14.273 35.421 1.00 41.22 H new ATOM 0 HG22 THR A 30 0.619 -13.687 34.031 1.00 41.22 H new ATOM 0 HG23 THR A 30 2.390 -13.822 33.911 1.00 41.22 H new ATOM 476 N THR A 31 1.998 -8.976 34.917 1.00 20.21 N ATOM 477 CA THR A 31 1.582 -7.671 35.416 1.00 74.23 C ATOM 478 C THR A 31 1.043 -6.799 34.288 1.00 5.21 C ATOM 479 O THR A 31 0.171 -5.958 34.503 1.00 44.33 O ATOM 480 CB THR A 31 2.747 -6.936 36.107 1.00 70.21 C ATOM 481 OG1 THR A 31 3.239 -7.717 37.201 1.00 65.04 O ATOM 482 CG2 THR A 31 2.301 -5.571 36.612 1.00 32.33 C ATOM 0 H THR A 31 2.996 -9.164 35.011 1.00 20.21 H new ATOM 0 HA THR A 31 0.791 -7.848 36.145 1.00 74.23 H new ATOM 0 HB THR A 31 3.543 -6.794 35.376 1.00 70.21 H new ATOM 0 HG1 THR A 31 3.980 -7.244 37.634 1.00 65.04 H new ATOM 0 HG21 THR A 31 3.140 -5.070 37.096 1.00 32.33 H new ATOM 0 HG22 THR A 31 1.954 -4.968 35.773 1.00 32.33 H new ATOM 0 HG23 THR A 31 1.490 -5.696 37.329 1.00 32.33 H new ATOM 490 N ASN A 32 1.568 -7.005 33.085 1.00 33.34 N ATOM 491 CA ASN A 32 1.138 -6.235 31.922 1.00 52.15 C ATOM 492 C ASN A 32 0.030 -6.964 31.167 1.00 70.20 C ATOM 493 O ASN A 32 -0.095 -6.834 29.950 1.00 25.25 O ATOM 494 CB ASN A 32 2.323 -5.979 30.988 1.00 21.20 C ATOM 495 CG ASN A 32 1.994 -4.977 29.899 1.00 12.02 C ATOM 496 OD1 ASN A 32 1.469 -3.896 30.171 1.00 74.30 O ATOM 497 ND2 ASN A 32 2.301 -5.330 28.656 1.00 53.21 N ATOM 0 H ASN A 32 2.291 -7.697 32.889 1.00 33.34 H new ATOM 0 HA ASN A 32 0.747 -5.280 32.273 1.00 52.15 H new ATOM 0 HB2 ASN A 32 3.169 -5.614 31.570 1.00 21.20 H new ATOM 0 HB3 ASN A 32 2.632 -6.919 30.532 1.00 21.20 H new ATOM 0 HD21 ASN A 32 2.103 -4.696 27.882 1.00 53.21 H new ATOM 0 HD22 ASN A 32 2.735 -6.235 28.475 1.00 53.21 H new ATOM 504 N GLY A 33 -0.772 -7.730 31.899 1.00 61.22 N ATOM 505 CA GLY A 33 -1.860 -8.469 31.282 1.00 53.12 C ATOM 506 C GLY A 33 -2.984 -7.564 30.819 1.00 52.44 C ATOM 507 O GLY A 33 -3.153 -6.457 31.334 1.00 13.13 O ATOM 0 H GLY A 33 -0.689 -7.853 32.908 1.00 61.22 H new ATOM 0 HA2 GLY A 33 -1.477 -9.032 30.431 1.00 53.12 H new ATOM 0 HA3 GLY A 33 -2.252 -9.195 31.994 1.00 53.12 H new ATOM 511 N THR A 34 -3.755 -8.032 29.844 1.00 73.43 N ATOM 512 CA THR A 34 -4.868 -7.258 29.310 1.00 24.51 C ATOM 513 C THR A 34 -6.129 -8.108 29.202 1.00 64.20 C ATOM 514 O THR A 34 -6.079 -9.330 29.346 1.00 40.52 O ATOM 515 CB THR A 34 -4.533 -6.678 27.922 1.00 43.53 C ATOM 516 OG1 THR A 34 -5.599 -5.832 27.475 1.00 72.33 O ATOM 517 CG2 THR A 34 -4.306 -7.792 26.911 1.00 1.21 C ATOM 0 H THR A 34 -3.629 -8.945 29.407 1.00 73.43 H new ATOM 0 HA THR A 34 -5.045 -6.438 30.006 1.00 24.51 H new ATOM 0 HB THR A 34 -3.617 -6.094 28.008 1.00 43.53 H new ATOM 0 HG1 THR A 34 -5.378 -5.466 26.593 1.00 72.33 H new ATOM 0 HG21 THR A 34 -4.071 -7.359 25.939 1.00 1.21 H new ATOM 0 HG22 THR A 34 -3.476 -8.418 27.239 1.00 1.21 H new ATOM 0 HG23 THR A 34 -5.208 -8.399 26.829 1.00 1.21 H new ATOM 525 N ILE A 35 -7.257 -7.455 28.948 1.00 53.35 N ATOM 526 CA ILE A 35 -8.530 -8.152 28.819 1.00 41.13 C ATOM 527 C ILE A 35 -8.998 -8.181 27.368 1.00 31.20 C ATOM 528 O ILE A 35 -8.688 -7.281 26.586 1.00 21.21 O ATOM 529 CB ILE A 35 -9.623 -7.495 29.685 1.00 72.12 C ATOM 530 CG1 ILE A 35 -9.849 -6.047 29.246 1.00 3.53 C ATOM 531 CG2 ILE A 35 -9.239 -7.554 31.156 1.00 55.24 C ATOM 532 CD1 ILE A 35 -11.131 -5.845 28.469 1.00 62.41 C ATOM 0 H ILE A 35 -7.315 -6.444 28.827 1.00 53.35 H new ATOM 0 HA ILE A 35 -8.366 -9.172 29.166 1.00 41.13 H new ATOM 0 HB ILE A 35 -10.554 -8.046 29.550 1.00 72.12 H new ATOM 0 HG12 ILE A 35 -9.863 -5.406 30.128 1.00 3.53 H new ATOM 0 HG13 ILE A 35 -9.007 -5.726 28.632 1.00 3.53 H new ATOM 0 HG21 ILE A 35 -10.020 -7.086 31.755 1.00 55.24 H new ATOM 0 HG22 ILE A 35 -9.122 -8.594 31.460 1.00 55.24 H new ATOM 0 HG23 ILE A 35 -8.299 -7.024 31.308 1.00 55.24 H new ATOM 0 HD11 ILE A 35 -11.226 -4.796 28.190 1.00 62.41 H new ATOM 0 HD12 ILE A 35 -11.111 -6.459 27.569 1.00 62.41 H new ATOM 0 HD13 ILE A 35 -11.981 -6.134 29.087 1.00 62.41 H new ATOM 544 N THR A 36 -9.747 -9.220 27.014 1.00 11.05 N ATOM 545 CA THR A 36 -10.258 -9.366 25.657 1.00 11.35 C ATOM 546 C THR A 36 -11.341 -8.334 25.362 1.00 20.04 C ATOM 547 O THR A 36 -12.062 -7.904 26.262 1.00 42.14 O ATOM 548 CB THR A 36 -10.832 -10.776 25.422 1.00 15.54 C ATOM 549 OG1 THR A 36 -11.705 -11.135 26.499 1.00 5.11 O ATOM 550 CG2 THR A 36 -9.716 -11.802 25.302 1.00 55.34 C ATOM 0 H THR A 36 -10.013 -9.973 27.648 1.00 11.05 H new ATOM 0 HA THR A 36 -9.416 -9.207 24.984 1.00 11.35 H new ATOM 0 HB THR A 36 -11.394 -10.765 24.488 1.00 15.54 H new ATOM 0 HG1 THR A 36 -12.525 -11.532 26.137 1.00 5.11 H new ATOM 0 HG21 THR A 36 -10.146 -12.790 25.136 1.00 55.34 H new ATOM 0 HG22 THR A 36 -9.071 -11.542 24.463 1.00 55.34 H new ATOM 0 HG23 THR A 36 -9.130 -11.811 26.221 1.00 55.34 H new ATOM 558 N ASP A 37 -11.449 -7.941 24.098 1.00 12.13 N ATOM 559 CA ASP A 37 -12.445 -6.959 23.685 1.00 12.53 C ATOM 560 C ASP A 37 -13.738 -7.646 23.254 1.00 15.53 C ATOM 561 O ASP A 37 -13.847 -8.871 23.297 1.00 0.31 O ATOM 562 CB ASP A 37 -11.903 -6.102 22.540 1.00 5.44 C ATOM 563 CG ASP A 37 -12.407 -4.673 22.600 1.00 34.54 C ATOM 564 OD1 ASP A 37 -11.922 -3.839 21.806 1.00 11.40 O ATOM 565 OD2 ASP A 37 -13.285 -4.388 23.439 1.00 5.53 O1- ATOM 0 H ASP A 37 -10.859 -8.287 23.341 1.00 12.13 H new ATOM 0 HA ASP A 37 -12.662 -6.316 24.538 1.00 12.53 H new ATOM 0 HB2 ASP A 37 -10.814 -6.102 22.574 1.00 5.44 H new ATOM 0 HB3 ASP A 37 -12.192 -6.547 21.588 1.00 5.44 H new ATOM 570 N PHE A 38 -14.717 -6.848 22.840 1.00 33.31 N ATOM 571 CA PHE A 38 -16.003 -7.378 22.403 1.00 53.25 C ATOM 572 C PHE A 38 -15.823 -8.350 21.240 1.00 61.41 C ATOM 573 O PHE A 38 -16.599 -9.293 21.080 1.00 72.12 O ATOM 574 CB PHE A 38 -16.935 -6.237 21.989 1.00 35.41 C ATOM 575 CG PHE A 38 -17.647 -5.596 23.147 1.00 23.40 C ATOM 576 CD1 PHE A 38 -19.019 -5.723 23.289 1.00 64.43 C ATOM 577 CD2 PHE A 38 -16.944 -4.866 24.091 1.00 13.51 C ATOM 578 CE1 PHE A 38 -19.678 -5.135 24.351 1.00 20.23 C ATOM 579 CE2 PHE A 38 -17.597 -4.276 25.156 1.00 23.43 C ATOM 580 CZ PHE A 38 -18.965 -4.410 25.286 1.00 34.05 C ATOM 0 H PHE A 38 -14.644 -5.831 22.798 1.00 33.31 H new ATOM 0 HA PHE A 38 -16.449 -7.917 23.239 1.00 53.25 H new ATOM 0 HB2 PHE A 38 -16.356 -5.478 21.463 1.00 35.41 H new ATOM 0 HB3 PHE A 38 -17.674 -6.619 21.285 1.00 35.41 H new ATOM 0 HD1 PHE A 38 -19.580 -6.289 22.560 1.00 64.43 H new ATOM 0 HD2 PHE A 38 -15.874 -4.757 23.994 1.00 13.51 H new ATOM 0 HE1 PHE A 38 -20.748 -5.242 24.450 1.00 20.23 H new ATOM 0 HE2 PHE A 38 -17.038 -3.710 25.886 1.00 23.43 H new ATOM 0 HZ PHE A 38 -19.477 -3.949 26.118 1.00 34.05 H new ATOM 590 N ASP A 39 -14.796 -8.113 20.432 1.00 22.51 N ATOM 591 CA ASP A 39 -14.515 -8.967 19.284 1.00 30.24 C ATOM 592 C ASP A 39 -13.925 -10.301 19.731 1.00 3.40 C ATOM 593 O ASP A 39 -13.946 -11.281 18.987 1.00 20.40 O ATOM 594 CB ASP A 39 -13.552 -8.266 18.323 1.00 73.22 C ATOM 595 CG ASP A 39 -13.735 -8.718 16.888 1.00 23.23 C ATOM 596 OD1 ASP A 39 -14.888 -8.989 16.494 1.00 51.04 O ATOM 597 OD2 ASP A 39 -12.724 -8.797 16.158 1.00 72.53 O1- ATOM 0 H ASP A 39 -14.145 -7.337 20.550 1.00 22.51 H new ATOM 0 HA ASP A 39 -15.455 -9.160 18.767 1.00 30.24 H new ATOM 0 HB2 ASP A 39 -13.703 -7.188 18.383 1.00 73.22 H new ATOM 0 HB3 ASP A 39 -12.526 -8.462 18.634 1.00 73.22 H new ATOM 602 N GLY A 40 -13.398 -10.330 20.952 1.00 73.03 N ATOM 603 CA GLY A 40 -12.809 -11.549 21.476 1.00 73.43 C ATOM 604 C GLY A 40 -11.317 -11.628 21.222 1.00 75.31 C ATOM 605 O GLY A 40 -10.756 -12.716 21.110 1.00 64.34 O ATOM 0 H GLY A 40 -13.369 -9.532 21.587 1.00 73.03 H new ATOM 0 HA2 GLY A 40 -12.995 -11.607 22.548 1.00 73.43 H new ATOM 0 HA3 GLY A 40 -13.298 -12.410 21.020 1.00 73.43 H new ATOM 609 N ASN A 41 -10.672 -10.469 21.130 1.00 12.43 N ATOM 610 CA ASN A 41 -9.236 -10.410 20.885 1.00 23.51 C ATOM 611 C ASN A 41 -8.577 -9.351 21.762 1.00 23.24 C ATOM 612 O ASN A 41 -9.252 -8.494 22.332 1.00 21.02 O ATOM 613 CB ASN A 41 -8.960 -10.111 19.410 1.00 52.24 C ATOM 614 CG ASN A 41 -9.618 -8.824 18.948 1.00 71.23 C ATOM 615 OD1 ASN A 41 -9.586 -7.813 19.649 1.00 52.35 O ATOM 616 ND2 ASN A 41 -10.218 -8.858 17.765 1.00 22.41 N ATOM 0 H ASN A 41 -11.122 -9.558 21.222 1.00 12.43 H new ATOM 0 HA ASN A 41 -8.810 -11.381 21.137 1.00 23.51 H new ATOM 0 HB2 ASN A 41 -7.884 -10.043 19.251 1.00 52.24 H new ATOM 0 HB3 ASN A 41 -9.321 -10.940 18.800 1.00 52.24 H new ATOM 0 HD21 ASN A 41 -10.678 -8.023 17.402 1.00 22.41 H new ATOM 0 HD22 ASN A 41 -10.219 -9.719 17.218 1.00 22.41 H new ATOM 623 N PHE A 42 -7.253 -9.416 21.866 1.00 71.21 N ATOM 624 CA PHE A 42 -6.502 -8.463 22.674 1.00 52.03 C ATOM 625 C PHE A 42 -5.222 -8.037 21.961 1.00 31.22 C ATOM 626 O PHE A 42 -4.816 -8.644 20.971 1.00 60.33 O ATOM 627 CB PHE A 42 -6.163 -9.072 24.036 1.00 2.54 C ATOM 628 CG PHE A 42 -5.559 -10.445 23.944 1.00 44.22 C ATOM 629 CD1 PHE A 42 -4.191 -10.607 23.800 1.00 24.02 C ATOM 630 CD2 PHE A 42 -6.361 -11.573 24.001 1.00 22.24 C ATOM 631 CE1 PHE A 42 -3.632 -11.868 23.717 1.00 64.14 C ATOM 632 CE2 PHE A 42 -5.809 -12.838 23.919 1.00 3.45 C ATOM 633 CZ PHE A 42 -4.442 -12.985 23.775 1.00 22.53 C ATOM 0 H PHE A 42 -6.679 -10.119 21.401 1.00 71.21 H new ATOM 0 HA PHE A 42 -7.125 -7.581 22.824 1.00 52.03 H new ATOM 0 HB2 PHE A 42 -5.469 -8.413 24.558 1.00 2.54 H new ATOM 0 HB3 PHE A 42 -7.070 -9.122 24.639 1.00 2.54 H new ATOM 0 HD1 PHE A 42 -3.553 -9.737 23.752 1.00 24.02 H new ATOM 0 HD2 PHE A 42 -7.430 -11.463 24.111 1.00 22.24 H new ATOM 0 HE1 PHE A 42 -2.563 -11.980 23.607 1.00 64.14 H new ATOM 0 HE2 PHE A 42 -6.445 -13.710 23.967 1.00 3.45 H new ATOM 0 HZ PHE A 42 -4.008 -13.972 23.708 1.00 22.53 H new ATOM 643 N THR A 43 -4.588 -6.986 22.474 1.00 70.14 N ATOM 644 CA THR A 43 -3.356 -6.475 21.888 1.00 1.25 C ATOM 645 C THR A 43 -2.207 -6.528 22.888 1.00 72.34 C ATOM 646 O THR A 43 -2.274 -5.920 23.957 1.00 32.41 O ATOM 647 CB THR A 43 -3.526 -5.026 21.395 1.00 55.40 C ATOM 648 OG1 THR A 43 -2.275 -4.522 20.914 1.00 61.44 O ATOM 649 CG2 THR A 43 -4.043 -4.131 22.512 1.00 0.43 C ATOM 0 H THR A 43 -4.909 -6.472 23.295 1.00 70.14 H new ATOM 0 HA THR A 43 -3.123 -7.115 21.037 1.00 1.25 H new ATOM 0 HB THR A 43 -4.254 -5.025 20.584 1.00 55.40 H new ATOM 0 HG1 THR A 43 -2.392 -3.601 20.601 1.00 61.44 H new ATOM 0 HG21 THR A 43 -4.155 -3.113 22.140 1.00 0.43 H new ATOM 0 HG22 THR A 43 -5.009 -4.500 22.856 1.00 0.43 H new ATOM 0 HG23 THR A 43 -3.336 -4.139 23.341 1.00 0.43 H new ATOM 657 N LEU A 44 -1.156 -7.259 22.537 1.00 30.33 N ATOM 658 CA LEU A 44 0.009 -7.391 23.406 1.00 30.51 C ATOM 659 C LEU A 44 1.285 -7.552 22.585 1.00 15.23 C ATOM 660 O LEU A 44 1.517 -8.597 21.978 1.00 43.42 O ATOM 661 CB LEU A 44 -0.162 -8.587 24.344 1.00 2.24 C ATOM 662 CG LEU A 44 -0.596 -8.263 25.772 1.00 41.34 C ATOM 663 CD1 LEU A 44 -1.314 -9.451 26.395 1.00 14.32 C ATOM 664 CD2 LEU A 44 0.604 -7.861 26.618 1.00 72.23 C ATOM 0 H LEU A 44 -1.086 -7.770 21.657 1.00 30.33 H new ATOM 0 HA LEU A 44 0.093 -6.481 24.000 1.00 30.51 H new ATOM 0 HB2 LEU A 44 -0.896 -9.264 23.907 1.00 2.24 H new ATOM 0 HB3 LEU A 44 0.784 -9.128 24.387 1.00 2.24 H new ATOM 0 HG LEU A 44 -1.289 -7.422 25.737 1.00 41.34 H new ATOM 0 HD11 LEU A 44 -1.616 -9.201 27.412 1.00 14.32 H new ATOM 0 HD12 LEU A 44 -2.197 -9.693 25.804 1.00 14.32 H new ATOM 0 HD13 LEU A 44 -0.644 -10.311 26.416 1.00 14.32 H new ATOM 0 HD21 LEU A 44 0.275 -7.634 27.632 1.00 72.23 H new ATOM 0 HD22 LEU A 44 1.322 -8.681 26.645 1.00 72.23 H new ATOM 0 HD23 LEU A 44 1.076 -6.980 26.184 1.00 72.23 H new ATOM 676 N SER A 45 2.110 -6.509 22.573 1.00 73.42 N ATOM 677 CA SER A 45 3.362 -6.534 21.826 1.00 30.11 C ATOM 678 C SER A 45 4.457 -7.233 22.625 1.00 54.45 C ATOM 679 O SER A 45 4.962 -6.695 23.610 1.00 53.14 O ATOM 680 CB SER A 45 3.799 -5.111 21.476 1.00 12.24 C ATOM 681 OG SER A 45 4.704 -5.110 20.385 1.00 52.35 O ATOM 0 H SER A 45 1.934 -5.637 23.072 1.00 73.42 H new ATOM 0 HA SER A 45 3.196 -7.092 20.905 1.00 30.11 H new ATOM 0 HB2 SER A 45 2.925 -4.509 21.228 1.00 12.24 H new ATOM 0 HB3 SER A 45 4.269 -4.648 22.343 1.00 12.24 H new ATOM 0 HG SER A 45 4.967 -4.189 20.179 1.00 52.35 H new ATOM 687 N VAL A 46 4.821 -8.437 22.192 1.00 11.02 N ATOM 688 CA VAL A 46 5.857 -9.210 22.865 1.00 13.10 C ATOM 689 C VAL A 46 6.755 -9.919 21.858 1.00 41.33 C ATOM 690 O VAL A 46 6.366 -10.901 21.224 1.00 34.03 O ATOM 691 CB VAL A 46 5.248 -10.255 23.819 1.00 71.43 C ATOM 692 CG1 VAL A 46 4.693 -9.582 25.065 1.00 64.43 C ATOM 693 CG2 VAL A 46 4.166 -11.056 23.108 1.00 21.52 C ATOM 0 H VAL A 46 4.413 -8.897 21.378 1.00 11.02 H new ATOM 0 HA VAL A 46 6.452 -8.504 23.444 1.00 13.10 H new ATOM 0 HB VAL A 46 6.035 -10.943 24.128 1.00 71.43 H new ATOM 0 HG11 VAL A 46 4.267 -10.336 25.727 1.00 64.43 H new ATOM 0 HG12 VAL A 46 5.495 -9.056 25.583 1.00 64.43 H new ATOM 0 HG13 VAL A 46 3.918 -8.870 24.780 1.00 64.43 H new ATOM 0 HG21 VAL A 46 3.746 -11.790 23.795 1.00 21.52 H new ATOM 0 HG22 VAL A 46 3.378 -10.383 22.770 1.00 21.52 H new ATOM 0 HG23 VAL A 46 4.598 -11.569 22.249 1.00 21.52 H new ATOM 703 N PRO A 47 7.988 -9.414 21.704 1.00 12.13 N ATOM 704 CA PRO A 47 8.968 -9.984 20.776 1.00 2.21 C ATOM 705 C PRO A 47 9.478 -11.346 21.235 1.00 41.24 C ATOM 706 O PRO A 47 9.790 -12.211 20.417 1.00 33.23 O ATOM 707 CB PRO A 47 10.103 -8.958 20.784 1.00 32.44 C ATOM 708 CG PRO A 47 9.988 -8.275 22.103 1.00 60.01 C ATOM 709 CD PRO A 47 8.520 -8.246 22.427 1.00 52.01 C ATOM 0 HA PRO A 47 8.540 -10.159 19.789 1.00 2.21 H new ATOM 0 HB2 PRO A 47 11.074 -9.441 20.672 1.00 32.44 H new ATOM 0 HB3 PRO A 47 10.002 -8.250 19.962 1.00 32.44 H new ATOM 0 HG2 PRO A 47 10.547 -8.811 22.870 1.00 60.01 H new ATOM 0 HG3 PRO A 47 10.398 -7.266 22.057 1.00 60.01 H new ATOM 0 HD2 PRO A 47 8.344 -8.323 23.500 1.00 52.01 H new ATOM 0 HD3 PRO A 47 8.053 -7.320 22.093 1.00 52.01 H new ATOM 717 N VAL A 48 9.559 -11.530 22.549 1.00 62.33 N ATOM 718 CA VAL A 48 10.029 -12.787 23.118 1.00 40.41 C ATOM 719 C VAL A 48 9.208 -13.965 22.603 1.00 23.10 C ATOM 720 O VAL A 48 9.713 -15.079 22.477 1.00 71.24 O ATOM 721 CB VAL A 48 9.967 -12.766 24.656 1.00 11.01 C ATOM 722 CG1 VAL A 48 11.064 -11.879 25.223 1.00 61.40 C ATOM 723 CG2 VAL A 48 8.596 -12.302 25.127 1.00 30.33 C ATOM 0 H VAL A 48 9.305 -10.824 23.240 1.00 62.33 H new ATOM 0 HA VAL A 48 11.066 -12.906 22.806 1.00 40.41 H new ATOM 0 HB VAL A 48 10.128 -13.780 25.023 1.00 11.01 H new ATOM 0 HG11 VAL A 48 11.004 -11.877 26.311 1.00 61.40 H new ATOM 0 HG12 VAL A 48 12.037 -12.261 24.914 1.00 61.40 H new ATOM 0 HG13 VAL A 48 10.939 -10.862 24.851 1.00 61.40 H new ATOM 0 HG21 VAL A 48 8.569 -12.293 26.217 1.00 30.33 H new ATOM 0 HG22 VAL A 48 8.403 -11.297 24.751 1.00 30.33 H new ATOM 0 HG23 VAL A 48 7.832 -12.983 24.751 1.00 30.33 H new ATOM 733 N ASN A 49 7.938 -13.708 22.306 1.00 53.04 N ATOM 734 CA ASN A 49 7.046 -14.747 21.804 1.00 3.42 C ATOM 735 C ASN A 49 6.775 -15.796 22.878 1.00 15.14 C ATOM 736 O ASN A 49 6.726 -16.993 22.592 1.00 41.55 O ATOM 737 CB ASN A 49 7.649 -15.412 20.565 1.00 63.41 C ATOM 738 CG ASN A 49 8.259 -14.407 19.607 1.00 20.23 C ATOM 739 OD1 ASN A 49 7.638 -13.397 19.272 1.00 0.21 O ATOM 740 ND2 ASN A 49 9.480 -14.679 19.161 1.00 2.13 N ATOM 0 H ASN A 49 7.504 -12.790 22.404 1.00 53.04 H new ATOM 0 HA ASN A 49 6.100 -14.279 21.532 1.00 3.42 H new ATOM 0 HB2 ASN A 49 8.413 -16.125 20.875 1.00 63.41 H new ATOM 0 HB3 ASN A 49 6.875 -15.979 20.048 1.00 63.41 H new ATOM 0 HD21 ASN A 49 9.941 -14.039 18.514 1.00 2.13 H new ATOM 0 HD22 ASN A 49 9.957 -15.528 19.465 1.00 2.13 H new ATOM 747 N SER A 50 6.599 -15.339 24.113 1.00 44.25 N ATOM 748 CA SER A 50 6.335 -16.238 25.230 1.00 32.14 C ATOM 749 C SER A 50 4.902 -16.760 25.182 1.00 64.13 C ATOM 750 O SER A 50 4.156 -16.476 24.244 1.00 43.22 O ATOM 751 CB SER A 50 6.584 -15.521 26.559 1.00 24.20 C ATOM 752 OG SER A 50 7.931 -15.667 26.972 1.00 2.44 O ATOM 0 H SER A 50 6.634 -14.351 24.366 1.00 44.25 H new ATOM 0 HA SER A 50 7.015 -17.086 25.149 1.00 32.14 H new ATOM 0 HB2 SER A 50 6.345 -14.463 26.455 1.00 24.20 H new ATOM 0 HB3 SER A 50 5.920 -15.924 27.324 1.00 24.20 H new ATOM 0 HG SER A 50 7.991 -16.371 27.651 1.00 2.44 H new ATOM 758 N THR A 51 4.523 -17.526 26.200 1.00 5.13 N ATOM 759 CA THR A 51 3.181 -18.089 26.275 1.00 65.34 C ATOM 760 C THR A 51 2.212 -17.117 26.939 1.00 50.11 C ATOM 761 O THR A 51 2.605 -16.317 27.790 1.00 60.11 O ATOM 762 CB THR A 51 3.172 -19.418 27.054 1.00 55.53 C ATOM 763 OG1 THR A 51 4.487 -19.985 27.070 1.00 72.33 O ATOM 764 CG2 THR A 51 2.196 -20.404 26.430 1.00 1.44 C ATOM 0 H THR A 51 5.127 -17.771 26.984 1.00 5.13 H new ATOM 0 HA THR A 51 2.859 -18.275 25.250 1.00 65.34 H new ATOM 0 HB THR A 51 2.853 -19.213 28.076 1.00 55.53 H new ATOM 0 HG1 THR A 51 4.473 -20.829 27.568 1.00 72.33 H new ATOM 0 HG21 THR A 51 2.207 -21.335 26.997 1.00 1.44 H new ATOM 0 HG22 THR A 51 1.191 -19.981 26.446 1.00 1.44 H new ATOM 0 HG23 THR A 51 2.489 -20.603 25.399 1.00 1.44 H new ATOM 772 N LEU A 52 0.946 -17.190 26.547 1.00 33.00 N ATOM 773 CA LEU A 52 -0.080 -16.317 27.106 1.00 60.43 C ATOM 774 C LEU A 52 -1.151 -17.128 27.829 1.00 61.44 C ATOM 775 O LEU A 52 -1.670 -18.108 27.294 1.00 62.04 O ATOM 776 CB LEU A 52 -0.720 -15.477 26.000 1.00 25.32 C ATOM 777 CG LEU A 52 0.182 -14.431 25.342 1.00 24.22 C ATOM 778 CD1 LEU A 52 1.024 -15.066 24.246 1.00 0.43 C ATOM 779 CD2 LEU A 52 -0.647 -13.285 24.785 1.00 44.14 C ATOM 0 H LEU A 52 0.604 -17.845 25.844 1.00 33.00 H new ATOM 0 HA LEU A 52 0.396 -15.654 27.828 1.00 60.43 H new ATOM 0 HB2 LEU A 52 -1.086 -16.151 25.225 1.00 25.32 H new ATOM 0 HB3 LEU A 52 -1.589 -14.968 26.416 1.00 25.32 H new ATOM 0 HG LEU A 52 0.854 -14.030 26.101 1.00 24.22 H new ATOM 0 HD11 LEU A 52 1.659 -14.307 23.789 1.00 0.43 H new ATOM 0 HD12 LEU A 52 1.647 -15.851 24.675 1.00 0.43 H new ATOM 0 HD13 LEU A 52 0.370 -15.496 23.488 1.00 0.43 H new ATOM 0 HD21 LEU A 52 0.012 -12.551 24.321 1.00 44.14 H new ATOM 0 HD22 LEU A 52 -1.344 -13.669 24.040 1.00 44.14 H new ATOM 0 HD23 LEU A 52 -1.204 -12.812 25.594 1.00 44.14 H new ATOM 791 N LYS A 53 -1.480 -16.710 29.046 1.00 74.15 N ATOM 792 CA LYS A 53 -2.492 -17.394 29.843 1.00 74.21 C ATOM 793 C LYS A 53 -3.828 -16.663 29.768 1.00 31.10 C ATOM 794 O LYS A 53 -3.900 -15.456 30.001 1.00 13.00 O ATOM 795 CB LYS A 53 -2.038 -17.501 31.300 1.00 14.13 C ATOM 796 CG LYS A 53 -3.113 -18.025 32.236 1.00 13.04 C ATOM 797 CD LYS A 53 -3.907 -16.891 32.863 1.00 71.31 C ATOM 798 CE LYS A 53 -3.371 -16.530 34.240 1.00 44.24 C ATOM 799 NZ LYS A 53 -3.969 -15.267 34.755 1.00 24.22 N1+ ATOM 0 H LYS A 53 -1.060 -15.900 29.503 1.00 74.15 H new ATOM 0 HA LYS A 53 -2.623 -18.397 29.436 1.00 74.21 H new ATOM 0 HB2 LYS A 53 -1.170 -18.158 31.354 1.00 14.13 H new ATOM 0 HB3 LYS A 53 -1.716 -16.518 31.644 1.00 14.13 H new ATOM 0 HG2 LYS A 53 -3.787 -18.682 31.686 1.00 13.04 H new ATOM 0 HG3 LYS A 53 -2.653 -18.625 33.021 1.00 13.04 H new ATOM 0 HD2 LYS A 53 -3.867 -16.016 32.215 1.00 71.31 H new ATOM 0 HD3 LYS A 53 -4.955 -17.180 32.944 1.00 71.31 H new ATOM 0 HE2 LYS A 53 -3.582 -17.342 34.936 1.00 44.24 H new ATOM 0 HE3 LYS A 53 -2.287 -16.425 34.192 1.00 44.24 H new ATOM 0 HZ1 LYS A 53 -3.380 -14.893 35.526 1.00 24.22 H new ATOM 0 HZ2 LYS A 53 -4.018 -14.568 33.987 1.00 24.22 H new ATOM 0 HZ3 LYS A 53 -4.927 -15.457 35.112 1.00 24.22 H new ATOM 813 N ILE A 54 -4.885 -17.402 29.444 1.00 64.31 N ATOM 814 CA ILE A 54 -6.219 -16.824 29.342 1.00 34.23 C ATOM 815 C ILE A 54 -7.202 -17.548 30.255 1.00 24.45 C ATOM 816 O ILE A 54 -7.359 -18.766 30.177 1.00 52.53 O ATOM 817 CB ILE A 54 -6.745 -16.875 27.896 1.00 12.32 C ATOM 818 CG1 ILE A 54 -5.802 -16.115 26.960 1.00 50.32 C ATOM 819 CG2 ILE A 54 -8.151 -16.298 27.823 1.00 55.33 C ATOM 820 CD1 ILE A 54 -5.937 -16.519 25.508 1.00 73.40 C ATOM 0 H ILE A 54 -4.843 -18.402 29.248 1.00 64.31 H new ATOM 0 HA ILE A 54 -6.137 -15.783 29.653 1.00 34.23 H new ATOM 0 HB ILE A 54 -6.784 -17.916 27.576 1.00 12.32 H new ATOM 0 HG12 ILE A 54 -5.996 -15.046 27.051 1.00 50.32 H new ATOM 0 HG13 ILE A 54 -4.773 -16.280 27.281 1.00 50.32 H new ATOM 0 HG21 ILE A 54 -8.509 -16.341 26.794 1.00 55.33 H new ATOM 0 HG22 ILE A 54 -8.816 -16.878 28.463 1.00 55.33 H new ATOM 0 HG23 ILE A 54 -8.137 -15.261 28.159 1.00 55.33 H new ATOM 0 HD11 ILE A 54 -5.239 -15.940 24.903 1.00 73.40 H new ATOM 0 HD12 ILE A 54 -5.714 -17.581 25.403 1.00 73.40 H new ATOM 0 HD13 ILE A 54 -6.955 -16.327 25.170 1.00 73.40 H new ATOM 832 N THR A 55 -7.866 -16.787 31.121 1.00 53.10 N ATOM 833 CA THR A 55 -8.837 -17.355 32.049 1.00 62.11 C ATOM 834 C THR A 55 -10.047 -16.443 32.204 1.00 50.41 C ATOM 835 O THR A 55 -9.918 -15.218 32.205 1.00 11.34 O ATOM 836 CB THR A 55 -8.211 -17.601 33.435 1.00 60.51 C ATOM 837 OG1 THR A 55 -7.715 -16.370 33.974 1.00 12.50 O ATOM 838 CG2 THR A 55 -7.080 -18.614 33.346 1.00 13.32 C ATOM 0 H THR A 55 -7.749 -15.777 31.199 1.00 53.10 H new ATOM 0 HA THR A 55 -9.157 -18.309 31.629 1.00 62.11 H new ATOM 0 HB THR A 55 -8.983 -18.000 34.093 1.00 60.51 H new ATOM 0 HG1 THR A 55 -7.320 -16.534 34.856 1.00 12.50 H new ATOM 0 HG21 THR A 55 -6.654 -18.771 34.337 1.00 13.32 H new ATOM 0 HG22 THR A 55 -7.467 -19.558 32.963 1.00 13.32 H new ATOM 0 HG23 THR A 55 -6.308 -18.239 32.674 1.00 13.32 H new ATOM 846 N TYR A 56 -11.223 -17.046 32.338 1.00 11.42 N ATOM 847 CA TYR A 56 -12.459 -16.285 32.494 1.00 11.02 C ATOM 848 C TYR A 56 -13.369 -16.934 33.532 1.00 62.40 C ATOM 849 O TYR A 56 -13.767 -18.091 33.389 1.00 41.44 O ATOM 850 CB TYR A 56 -13.189 -16.179 31.154 1.00 44.12 C ATOM 851 CG TYR A 56 -14.333 -15.192 31.165 1.00 65.43 C ATOM 852 CD1 TYR A 56 -14.205 -13.956 31.787 1.00 22.43 C ATOM 853 CD2 TYR A 56 -15.545 -15.496 30.555 1.00 4.15 C ATOM 854 CE1 TYR A 56 -15.250 -13.051 31.800 1.00 32.34 C ATOM 855 CE2 TYR A 56 -16.594 -14.597 30.562 1.00 41.03 C ATOM 856 CZ TYR A 56 -16.441 -13.376 31.186 1.00 31.42 C ATOM 857 OH TYR A 56 -17.483 -12.478 31.197 1.00 41.25 O ATOM 0 H TYR A 56 -11.347 -18.058 32.342 1.00 11.42 H new ATOM 0 HA TYR A 56 -12.200 -15.284 32.839 1.00 11.02 H new ATOM 0 HB2 TYR A 56 -12.476 -15.887 30.383 1.00 44.12 H new ATOM 0 HB3 TYR A 56 -13.571 -17.162 30.879 1.00 44.12 H new ATOM 0 HD1 TYR A 56 -13.273 -13.698 32.268 1.00 22.43 H new ATOM 0 HD2 TYR A 56 -15.668 -16.452 30.067 1.00 4.15 H new ATOM 0 HE1 TYR A 56 -15.134 -12.095 32.288 1.00 32.34 H new ATOM 0 HE2 TYR A 56 -17.528 -14.848 30.082 1.00 41.03 H new ATOM 0 HH TYR A 56 -17.344 -11.807 30.497 1.00 41.25 H new ATOM 867 N ILE A 57 -13.697 -16.179 34.575 1.00 62.21 N ATOM 868 CA ILE A 57 -14.563 -16.679 35.636 1.00 35.22 C ATOM 869 C ILE A 57 -15.841 -17.283 35.064 1.00 41.02 C ATOM 870 O ILE A 57 -16.720 -16.567 34.588 1.00 74.23 O ATOM 871 CB ILE A 57 -14.936 -15.563 36.629 1.00 72.44 C ATOM 872 CG1 ILE A 57 -15.975 -16.069 37.633 1.00 51.25 C ATOM 873 CG2 ILE A 57 -15.460 -14.344 35.885 1.00 21.35 C ATOM 874 CD1 ILE A 57 -15.962 -15.321 38.946 1.00 34.03 C ATOM 0 H ILE A 57 -13.377 -15.220 34.708 1.00 62.21 H new ATOM 0 HA ILE A 57 -14.003 -17.452 36.163 1.00 35.22 H new ATOM 0 HB ILE A 57 -14.040 -15.272 37.178 1.00 72.44 H new ATOM 0 HG12 ILE A 57 -16.967 -15.988 37.188 1.00 51.25 H new ATOM 0 HG13 ILE A 57 -15.797 -17.127 37.825 1.00 51.25 H new ATOM 0 HG21 ILE A 57 -15.719 -13.564 36.601 1.00 21.35 H new ATOM 0 HG22 ILE A 57 -14.691 -13.973 35.207 1.00 21.35 H new ATOM 0 HG23 ILE A 57 -16.346 -14.620 35.313 1.00 21.35 H new ATOM 0 HD11 ILE A 57 -16.724 -15.734 39.607 1.00 34.03 H new ATOM 0 HD12 ILE A 57 -14.982 -15.423 39.413 1.00 34.03 H new ATOM 0 HD13 ILE A 57 -16.171 -14.266 38.766 1.00 34.03 H new ATOM 886 N GLY A 58 -15.937 -18.608 35.116 1.00 41.22 N ATOM 887 CA GLY A 58 -17.112 -19.287 34.603 1.00 34.45 C ATOM 888 C GLY A 58 -16.764 -20.551 33.840 1.00 45.03 C ATOM 889 O GLY A 58 -17.410 -21.585 34.012 1.00 23.42 O ATOM 0 H GLY A 58 -15.222 -19.223 35.504 1.00 41.22 H new ATOM 0 HA2 GLY A 58 -17.774 -19.537 35.432 1.00 34.45 H new ATOM 0 HA3 GLY A 58 -17.662 -18.611 33.948 1.00 34.45 H new ATOM 893 N TYR A 59 -15.742 -20.467 32.995 1.00 61.23 N ATOM 894 CA TYR A 59 -15.312 -21.612 32.200 1.00 30.13 C ATOM 895 C TYR A 59 -13.909 -22.056 32.600 1.00 1.25 C ATOM 896 O TYR A 59 -13.224 -21.378 33.366 1.00 60.34 O ATOM 897 CB TYR A 59 -15.344 -21.264 30.710 1.00 42.25 C ATOM 898 CG TYR A 59 -16.736 -21.263 30.120 1.00 43.24 C ATOM 899 CD1 TYR A 59 -17.064 -22.102 29.062 1.00 2.34 C ATOM 900 CD2 TYR A 59 -17.723 -20.420 30.616 1.00 22.52 C ATOM 901 CE1 TYR A 59 -18.333 -22.103 28.518 1.00 33.50 C ATOM 902 CE2 TYR A 59 -18.995 -20.415 30.080 1.00 61.12 C ATOM 903 CZ TYR A 59 -19.296 -21.259 29.031 1.00 4.31 C ATOM 904 OH TYR A 59 -20.562 -21.256 28.492 1.00 24.41 O ATOM 0 H TYR A 59 -15.196 -19.619 32.843 1.00 61.23 H new ATOM 0 HA TYR A 59 -16.001 -22.435 32.390 1.00 30.13 H new ATOM 0 HB2 TYR A 59 -14.896 -20.281 30.565 1.00 42.25 H new ATOM 0 HB3 TYR A 59 -14.728 -21.979 30.165 1.00 42.25 H new ATOM 0 HD1 TYR A 59 -16.313 -22.765 28.658 1.00 2.34 H new ATOM 0 HD2 TYR A 59 -17.491 -19.757 31.436 1.00 22.52 H new ATOM 0 HE1 TYR A 59 -18.570 -22.761 27.695 1.00 33.50 H new ATOM 0 HE2 TYR A 59 -19.750 -19.754 30.479 1.00 61.12 H new ATOM 0 HH TYR A 59 -21.119 -20.605 28.969 1.00 24.41 H new ATOM 914 N LYS A 60 -13.487 -23.202 32.075 1.00 52.23 N ATOM 915 CA LYS A 60 -12.164 -23.739 32.374 1.00 72.32 C ATOM 916 C LYS A 60 -11.071 -22.841 31.805 1.00 51.35 C ATOM 917 O LYS A 60 -11.272 -22.121 30.827 1.00 73.04 O ATOM 918 CB LYS A 60 -12.026 -25.152 31.805 1.00 13.13 C ATOM 919 CG LYS A 60 -13.078 -26.120 32.316 1.00 75.30 C ATOM 920 CD LYS A 60 -12.667 -26.742 33.641 1.00 4.44 C ATOM 921 CE LYS A 60 -13.058 -28.210 33.713 1.00 2.10 C ATOM 922 NZ LYS A 60 -11.983 -29.040 34.327 1.00 3.41 N1+ ATOM 0 H LYS A 60 -14.042 -23.777 31.441 1.00 52.23 H new ATOM 0 HA LYS A 60 -12.050 -23.777 33.457 1.00 72.32 H new ATOM 0 HB2 LYS A 60 -12.086 -25.104 30.718 1.00 13.13 H new ATOM 0 HB3 LYS A 60 -11.038 -25.539 32.053 1.00 13.13 H new ATOM 0 HG2 LYS A 60 -14.027 -25.597 32.437 1.00 75.30 H new ATOM 0 HG3 LYS A 60 -13.239 -26.906 31.578 1.00 75.30 H new ATOM 0 HD2 LYS A 60 -11.589 -26.645 33.771 1.00 4.44 H new ATOM 0 HD3 LYS A 60 -13.137 -26.199 34.461 1.00 4.44 H new ATOM 0 HE2 LYS A 60 -13.974 -28.314 34.294 1.00 2.10 H new ATOM 0 HE3 LYS A 60 -13.273 -28.578 32.710 1.00 2.10 H new ATOM 0 HZ1 LYS A 60 -12.287 -30.034 34.358 1.00 3.41 H new ATOM 0 HZ2 LYS A 60 -11.116 -28.961 33.758 1.00 3.41 H new ATOM 0 HZ3 LYS A 60 -11.795 -28.705 35.293 1.00 3.41 H new ATOM 936 N PRO A 61 -9.885 -22.882 32.431 1.00 20.42 N ATOM 937 CA PRO A 61 -8.736 -22.079 32.004 1.00 52.34 C ATOM 938 C PRO A 61 -8.160 -22.553 30.673 1.00 43.11 C ATOM 939 O PRO A 61 -8.354 -23.703 30.275 1.00 71.32 O ATOM 940 CB PRO A 61 -7.719 -22.286 33.129 1.00 12.55 C ATOM 941 CG PRO A 61 -8.081 -23.601 33.729 1.00 64.21 C ATOM 942 CD PRO A 61 -9.575 -23.716 33.604 1.00 62.33 C ATOM 0 HA PRO A 61 -9.007 -21.036 31.842 1.00 52.34 H new ATOM 0 HB2 PRO A 61 -6.699 -22.294 32.744 1.00 12.55 H new ATOM 0 HB3 PRO A 61 -7.776 -21.485 33.866 1.00 12.55 H new ATOM 0 HG2 PRO A 61 -7.582 -24.418 33.208 1.00 64.21 H new ATOM 0 HG3 PRO A 61 -7.772 -23.652 34.773 1.00 64.21 H new ATOM 0 HD2 PRO A 61 -9.887 -24.750 33.456 1.00 62.33 H new ATOM 0 HD3 PRO A 61 -10.082 -23.355 34.499 1.00 62.33 H new ATOM 950 N VAL A 62 -7.453 -21.661 29.988 1.00 41.12 N ATOM 951 CA VAL A 62 -6.848 -21.988 28.702 1.00 22.22 C ATOM 952 C VAL A 62 -5.586 -21.166 28.463 1.00 13.54 C ATOM 953 O VAL A 62 -5.548 -19.969 28.746 1.00 74.11 O ATOM 954 CB VAL A 62 -7.832 -21.747 27.542 1.00 23.31 C ATOM 955 CG1 VAL A 62 -9.034 -22.671 27.660 1.00 24.54 C ATOM 956 CG2 VAL A 62 -8.269 -20.291 27.508 1.00 33.21 C ATOM 0 H VAL A 62 -7.285 -20.705 30.302 1.00 41.12 H new ATOM 0 HA VAL A 62 -6.588 -23.046 28.734 1.00 22.22 H new ATOM 0 HB VAL A 62 -7.323 -21.971 26.605 1.00 23.31 H new ATOM 0 HG11 VAL A 62 -9.718 -22.486 26.832 1.00 24.54 H new ATOM 0 HG12 VAL A 62 -8.700 -23.708 27.630 1.00 24.54 H new ATOM 0 HG13 VAL A 62 -9.547 -22.482 28.603 1.00 24.54 H new ATOM 0 HG21 VAL A 62 -8.964 -20.139 26.682 1.00 33.21 H new ATOM 0 HG22 VAL A 62 -8.760 -20.037 28.447 1.00 33.21 H new ATOM 0 HG23 VAL A 62 -7.396 -19.652 27.370 1.00 33.21 H new ATOM 966 N THR A 63 -4.553 -21.818 27.938 1.00 11.33 N ATOM 967 CA THR A 63 -3.288 -21.149 27.661 1.00 11.40 C ATOM 968 C THR A 63 -2.793 -21.471 26.256 1.00 54.21 C ATOM 969 O THR A 63 -2.937 -22.596 25.778 1.00 35.44 O ATOM 970 CB THR A 63 -2.205 -21.551 28.680 1.00 13.53 C ATOM 971 OG1 THR A 63 -2.166 -22.976 28.819 1.00 22.11 O ATOM 972 CG2 THR A 63 -2.473 -20.912 30.034 1.00 60.11 C ATOM 0 H THR A 63 -4.568 -22.809 27.696 1.00 11.33 H new ATOM 0 HA THR A 63 -3.472 -20.078 27.742 1.00 11.40 H new ATOM 0 HB THR A 63 -1.242 -21.196 28.312 1.00 13.53 H new ATOM 0 HG1 THR A 63 -1.474 -23.223 29.467 1.00 22.11 H new ATOM 0 HG21 THR A 63 -1.695 -21.210 30.737 1.00 60.11 H new ATOM 0 HG22 THR A 63 -2.472 -19.827 29.931 1.00 60.11 H new ATOM 0 HG23 THR A 63 -3.444 -21.240 30.406 1.00 60.11 H new ATOM 980 N VAL A 64 -2.206 -20.476 25.598 1.00 54.51 N ATOM 981 CA VAL A 64 -1.687 -20.653 24.247 1.00 53.21 C ATOM 982 C VAL A 64 -0.486 -19.747 23.996 1.00 13.32 C ATOM 983 O VAL A 64 -0.322 -18.719 24.653 1.00 10.04 O ATOM 984 CB VAL A 64 -2.766 -20.362 23.188 1.00 74.21 C ATOM 985 CG1 VAL A 64 -3.829 -21.449 23.195 1.00 21.00 C ATOM 986 CG2 VAL A 64 -3.390 -18.994 23.426 1.00 14.45 C ATOM 0 H VAL A 64 -2.078 -19.539 25.979 1.00 54.51 H new ATOM 0 HA VAL A 64 -1.377 -21.694 24.162 1.00 53.21 H new ATOM 0 HB VAL A 64 -2.294 -20.356 22.206 1.00 74.21 H new ATOM 0 HG11 VAL A 64 -4.583 -21.226 22.440 1.00 21.00 H new ATOM 0 HG12 VAL A 64 -3.367 -22.411 22.973 1.00 21.00 H new ATOM 0 HG13 VAL A 64 -4.300 -21.491 24.177 1.00 21.00 H new ATOM 0 HG21 VAL A 64 -4.151 -18.804 22.669 1.00 14.45 H new ATOM 0 HG22 VAL A 64 -3.849 -18.970 24.415 1.00 14.45 H new ATOM 0 HG23 VAL A 64 -2.618 -18.227 23.365 1.00 14.45 H new ATOM 996 N LYS A 65 0.352 -20.137 23.042 1.00 23.50 N ATOM 997 CA LYS A 65 1.538 -19.360 22.701 1.00 33.44 C ATOM 998 C LYS A 65 1.180 -18.191 21.789 1.00 51.13 C ATOM 999 O LYS A 65 0.155 -18.215 21.107 1.00 14.12 O ATOM 1000 CB LYS A 65 2.578 -20.252 22.019 1.00 53.40 C ATOM 1001 CG LYS A 65 3.467 -21.004 22.995 1.00 44.43 C ATOM 1002 CD LYS A 65 3.245 -22.504 22.909 1.00 43.14 C ATOM 1003 CE LYS A 65 2.154 -22.961 23.866 1.00 1.42 C ATOM 1004 NZ LYS A 65 1.999 -24.443 23.863 1.00 70.32 N1+ ATOM 0 H LYS A 65 0.232 -20.987 22.491 1.00 23.50 H new ATOM 0 HA LYS A 65 1.958 -18.962 23.624 1.00 33.44 H new ATOM 0 HB2 LYS A 65 2.065 -20.971 21.380 1.00 53.40 H new ATOM 0 HB3 LYS A 65 3.203 -19.637 21.371 1.00 53.40 H new ATOM 0 HG2 LYS A 65 4.512 -20.777 22.785 1.00 44.43 H new ATOM 0 HG3 LYS A 65 3.264 -20.663 24.010 1.00 44.43 H new ATOM 0 HD2 LYS A 65 2.973 -22.775 21.889 1.00 43.14 H new ATOM 0 HD3 LYS A 65 4.175 -23.024 23.140 1.00 43.14 H new ATOM 0 HE2 LYS A 65 2.390 -22.623 24.875 1.00 1.42 H new ATOM 0 HE3 LYS A 65 1.208 -22.496 23.587 1.00 1.42 H new ATOM 0 HZ1 LYS A 65 1.246 -24.715 24.527 1.00 70.32 H new ATOM 0 HZ2 LYS A 65 1.748 -24.764 22.906 1.00 70.32 H new ATOM 0 HZ3 LYS A 65 2.894 -24.886 24.154 1.00 70.32 H new ATOM 1018 N ALA A 66 2.029 -17.169 21.782 1.00 25.33 N ATOM 1019 CA ALA A 66 1.804 -15.994 20.951 1.00 72.41 C ATOM 1020 C ALA A 66 2.165 -16.272 19.496 1.00 62.14 C ATOM 1021 O ALA A 66 3.181 -16.902 19.208 1.00 13.22 O ATOM 1022 CB ALA A 66 2.606 -14.813 21.479 1.00 71.52 C ATOM 0 H ALA A 66 2.880 -17.132 22.343 1.00 25.33 H new ATOM 0 HA ALA A 66 0.743 -15.748 20.994 1.00 72.41 H new ATOM 0 HB1 ALA A 66 2.428 -13.942 20.849 1.00 71.52 H new ATOM 0 HB2 ALA A 66 2.297 -14.591 22.500 1.00 71.52 H new ATOM 0 HB3 ALA A 66 3.668 -15.060 21.467 1.00 71.52 H new ATOM 1028 N ALA A 67 1.324 -15.799 18.581 1.00 60.43 N ATOM 1029 CA ALA A 67 1.555 -15.996 17.156 1.00 33.34 C ATOM 1030 C ALA A 67 0.685 -15.060 16.324 1.00 63.13 C ATOM 1031 O ALA A 67 -0.104 -14.286 16.866 1.00 55.04 O ATOM 1032 CB ALA A 67 1.290 -17.445 16.774 1.00 32.31 C ATOM 0 H ALA A 67 0.476 -15.277 18.802 1.00 60.43 H new ATOM 0 HA ALA A 67 2.599 -15.761 16.946 1.00 33.34 H new ATOM 0 HB1 ALA A 67 1.466 -17.578 15.707 1.00 32.31 H new ATOM 0 HB2 ALA A 67 1.958 -18.098 17.336 1.00 32.31 H new ATOM 0 HB3 ALA A 67 0.255 -17.699 17.005 1.00 32.31 H new ATOM 1038 N ALA A 68 0.835 -15.135 15.006 1.00 60.23 N ATOM 1039 CA ALA A 68 0.061 -14.296 14.099 1.00 73.13 C ATOM 1040 C ALA A 68 -1.430 -14.392 14.401 1.00 2.42 C ATOM 1041 O ALA A 68 -2.114 -13.375 14.529 1.00 53.41 O ATOM 1042 CB ALA A 68 0.336 -14.686 12.655 1.00 13.31 C ATOM 0 H ALA A 68 1.486 -15.769 14.542 1.00 60.23 H new ATOM 0 HA ALA A 68 0.369 -13.261 14.248 1.00 73.13 H new ATOM 0 HB1 ALA A 68 -0.249 -14.051 11.989 1.00 13.31 H new ATOM 0 HB2 ALA A 68 1.397 -14.558 12.439 1.00 13.31 H new ATOM 0 HB3 ALA A 68 0.057 -15.728 12.500 1.00 13.31 H new ATOM 1048 N ILE A 69 -1.929 -15.618 14.511 1.00 72.31 N ATOM 1049 CA ILE A 69 -3.340 -15.845 14.798 1.00 43.13 C ATOM 1050 C ILE A 69 -3.529 -17.057 15.704 1.00 23.51 C ATOM 1051 O ILE A 69 -3.288 -18.194 15.298 1.00 14.30 O ATOM 1052 CB ILE A 69 -4.150 -16.055 13.504 1.00 41.22 C ATOM 1053 CG1 ILE A 69 -4.005 -14.842 12.584 1.00 11.02 C ATOM 1054 CG2 ILE A 69 -5.614 -16.306 13.832 1.00 3.10 C ATOM 1055 CD1 ILE A 69 -2.811 -14.924 11.658 1.00 23.11 C ATOM 0 H ILE A 69 -1.377 -16.470 14.406 1.00 72.31 H new ATOM 0 HA ILE A 69 -3.706 -14.953 15.307 1.00 43.13 H new ATOM 0 HB ILE A 69 -3.759 -16.930 12.985 1.00 41.22 H new ATOM 0 HG12 ILE A 69 -4.911 -14.739 11.987 1.00 11.02 H new ATOM 0 HG13 ILE A 69 -3.921 -13.942 13.193 1.00 11.02 H new ATOM 0 HG21 ILE A 69 -6.174 -16.453 12.908 1.00 3.10 H new ATOM 0 HG22 ILE A 69 -5.700 -17.197 14.454 1.00 3.10 H new ATOM 0 HG23 ILE A 69 -6.019 -15.448 14.369 1.00 3.10 H new ATOM 0 HD11 ILE A 69 -2.771 -14.030 11.035 1.00 23.11 H new ATOM 0 HD12 ILE A 69 -1.897 -14.996 12.248 1.00 23.11 H new ATOM 0 HD13 ILE A 69 -2.903 -15.805 11.023 1.00 23.11 H new ATOM 1067 N VAL A 70 -3.964 -16.807 16.935 1.00 42.53 N ATOM 1068 CA VAL A 70 -4.188 -17.877 17.899 1.00 74.42 C ATOM 1069 C VAL A 70 -5.661 -17.969 18.284 1.00 52.51 C ATOM 1070 O VAL A 70 -6.275 -16.976 18.671 1.00 11.54 O ATOM 1071 CB VAL A 70 -3.347 -17.670 19.173 1.00 5.12 C ATOM 1072 CG1 VAL A 70 -3.492 -18.861 20.107 1.00 41.11 C ATOM 1073 CG2 VAL A 70 -1.888 -17.437 18.814 1.00 74.33 C ATOM 0 H VAL A 70 -4.168 -15.872 17.288 1.00 42.53 H new ATOM 0 HA VAL A 70 -3.882 -18.806 17.418 1.00 74.42 H new ATOM 0 HB VAL A 70 -3.715 -16.785 19.692 1.00 5.12 H new ATOM 0 HG11 VAL A 70 -2.891 -18.697 21.001 1.00 41.11 H new ATOM 0 HG12 VAL A 70 -4.538 -18.977 20.389 1.00 41.11 H new ATOM 0 HG13 VAL A 70 -3.151 -19.764 19.601 1.00 41.11 H new ATOM 0 HG21 VAL A 70 -1.308 -17.293 19.725 1.00 74.33 H new ATOM 0 HG22 VAL A 70 -1.504 -18.302 18.272 1.00 74.33 H new ATOM 0 HG23 VAL A 70 -1.805 -16.550 18.187 1.00 74.33 H new ATOM 1083 N ASN A 71 -6.220 -19.170 18.178 1.00 53.23 N ATOM 1084 CA ASN A 71 -7.621 -19.393 18.515 1.00 11.52 C ATOM 1085 C ASN A 71 -7.750 -20.330 19.712 1.00 55.40 C ATOM 1086 O ASN A 71 -7.206 -21.435 19.711 1.00 31.34 O ATOM 1087 CB ASN A 71 -8.370 -19.974 17.315 1.00 53.52 C ATOM 1088 CG ASN A 71 -8.574 -18.954 16.211 1.00 74.11 C ATOM 1089 OD1 ASN A 71 -9.103 -17.791 16.571 1.00 10.31 O flip ATOM 1090 ND2 ASN A 71 -8.260 -19.210 15.049 1.00 50.40 N flip ATOM 0 H ASN A 71 -5.724 -20.003 17.862 1.00 53.23 H new ATOM 0 HA ASN A 71 -8.063 -18.432 18.779 1.00 11.52 H new ATOM 0 HB2 ASN A 71 -7.815 -20.825 16.921 1.00 53.52 H new ATOM 0 HB3 ASN A 71 -9.339 -20.350 17.642 1.00 53.52 H new ATOM 0 HD21 ASN A 71 -7.856 -20.118 14.818 1.00 50.40 H new ATOM 0 HD22 ASN A 71 -8.403 -18.514 14.317 1.00 50.40 H new ATOM 1097 N VAL A 72 -8.475 -19.882 20.732 1.00 51.53 N ATOM 1098 CA VAL A 72 -8.677 -20.682 21.935 1.00 24.20 C ATOM 1099 C VAL A 72 -10.157 -20.958 22.169 1.00 31.43 C ATOM 1100 O VAL A 72 -11.015 -20.149 21.813 1.00 20.30 O ATOM 1101 CB VAL A 72 -8.095 -19.983 23.178 1.00 52.34 C ATOM 1102 CG1 VAL A 72 -8.126 -20.915 24.380 1.00 61.34 C ATOM 1103 CG2 VAL A 72 -6.678 -19.502 22.903 1.00 24.11 C ATOM 0 H VAL A 72 -8.932 -18.970 20.750 1.00 51.53 H new ATOM 0 HA VAL A 72 -8.154 -21.626 21.779 1.00 24.20 H new ATOM 0 HB VAL A 72 -8.712 -19.114 23.407 1.00 52.34 H new ATOM 0 HG11 VAL A 72 -7.711 -20.403 25.248 1.00 61.34 H new ATOM 0 HG12 VAL A 72 -9.156 -21.206 24.588 1.00 61.34 H new ATOM 0 HG13 VAL A 72 -7.534 -21.805 24.166 1.00 61.34 H new ATOM 0 HG21 VAL A 72 -6.282 -19.010 23.792 1.00 24.11 H new ATOM 0 HG22 VAL A 72 -6.048 -20.354 22.648 1.00 24.11 H new ATOM 0 HG23 VAL A 72 -6.688 -18.797 22.072 1.00 24.11 H new ATOM 1113 N LEU A 73 -10.452 -22.107 22.768 1.00 10.54 N ATOM 1114 CA LEU A 73 -11.830 -22.492 23.051 1.00 72.02 C ATOM 1115 C LEU A 73 -12.037 -22.721 24.545 1.00 3.23 C ATOM 1116 O LEU A 73 -11.385 -23.574 25.148 1.00 44.43 O ATOM 1117 CB LEU A 73 -12.198 -23.756 22.273 1.00 3.23 C ATOM 1118 CG LEU A 73 -12.256 -23.615 20.752 1.00 71.14 C ATOM 1119 CD1 LEU A 73 -11.001 -24.189 20.114 1.00 5.30 C ATOM 1120 CD2 LEU A 73 -13.498 -24.301 20.201 1.00 64.32 C ATOM 0 H LEU A 73 -9.754 -22.788 23.067 1.00 10.54 H new ATOM 0 HA LEU A 73 -12.480 -21.677 22.735 1.00 72.02 H new ATOM 0 HB2 LEU A 73 -11.474 -24.533 22.518 1.00 3.23 H new ATOM 0 HB3 LEU A 73 -13.170 -24.104 22.623 1.00 3.23 H new ATOM 0 HG LEU A 73 -12.311 -22.554 20.506 1.00 71.14 H new ATOM 0 HD11 LEU A 73 -11.061 -24.080 19.031 1.00 5.30 H new ATOM 0 HD12 LEU A 73 -10.127 -23.654 20.485 1.00 5.30 H new ATOM 0 HD13 LEU A 73 -10.915 -25.246 20.368 1.00 5.30 H new ATOM 0 HD21 LEU A 73 -13.524 -24.191 19.117 1.00 64.32 H new ATOM 0 HD22 LEU A 73 -13.473 -25.360 20.458 1.00 64.32 H new ATOM 0 HD23 LEU A 73 -14.388 -23.844 20.633 1.00 64.32 H new ATOM 1132 N LEU A 74 -12.949 -21.956 25.135 1.00 44.52 N ATOM 1133 CA LEU A 74 -13.243 -22.077 26.559 1.00 22.25 C ATOM 1134 C LEU A 74 -14.321 -23.128 26.804 1.00 10.24 C ATOM 1135 O LEU A 74 -15.459 -22.977 26.362 1.00 22.34 O ATOM 1136 CB LEU A 74 -13.692 -20.729 27.124 1.00 64.12 C ATOM 1137 CG LEU A 74 -13.039 -20.301 28.439 1.00 31.24 C ATOM 1138 CD1 LEU A 74 -11.525 -20.275 28.300 1.00 65.54 C ATOM 1139 CD2 LEU A 74 -13.559 -18.939 28.875 1.00 34.41 C ATOM 0 H LEU A 74 -13.497 -21.246 24.650 1.00 44.52 H new ATOM 0 HA LEU A 74 -12.332 -22.391 27.068 1.00 22.25 H new ATOM 0 HB2 LEU A 74 -13.495 -19.961 26.377 1.00 64.12 H new ATOM 0 HB3 LEU A 74 -14.772 -20.761 27.271 1.00 64.12 H new ATOM 0 HG LEU A 74 -13.301 -21.030 29.206 1.00 31.24 H new ATOM 0 HD11 LEU A 74 -11.078 -19.968 29.246 1.00 65.54 H new ATOM 0 HD12 LEU A 74 -11.167 -21.270 28.035 1.00 65.54 H new ATOM 0 HD13 LEU A 74 -11.243 -19.568 27.519 1.00 65.54 H new ATOM 0 HD21 LEU A 74 -13.083 -18.651 29.812 1.00 34.41 H new ATOM 0 HD22 LEU A 74 -13.328 -18.199 28.109 1.00 34.41 H new ATOM 0 HD23 LEU A 74 -14.639 -18.990 29.017 1.00 34.41 H new ATOM 1151 N GLU A 75 -13.954 -24.190 27.514 1.00 25.11 N ATOM 1152 CA GLU A 75 -14.891 -25.266 27.818 1.00 73.42 C ATOM 1153 C GLU A 75 -15.513 -25.070 29.198 1.00 44.11 C ATOM 1154 O GLU A 75 -14.869 -24.560 30.114 1.00 4.12 O ATOM 1155 CB GLU A 75 -14.185 -26.621 27.753 1.00 3.14 C ATOM 1156 CG GLU A 75 -13.088 -26.788 28.791 1.00 21.34 C ATOM 1157 CD GLU A 75 -11.745 -26.279 28.305 1.00 33.45 C ATOM 1158 OE1 GLU A 75 -11.669 -25.806 27.152 1.00 53.52 O ATOM 1159 OE2 GLU A 75 -10.768 -26.355 29.080 1.00 2.54 O1- ATOM 0 H GLU A 75 -13.016 -24.329 27.889 1.00 25.11 H new ATOM 0 HA GLU A 75 -15.686 -25.243 27.072 1.00 73.42 H new ATOM 0 HB2 GLU A 75 -14.923 -27.412 27.886 1.00 3.14 H new ATOM 0 HB3 GLU A 75 -13.756 -26.750 26.759 1.00 3.14 H new ATOM 0 HG2 GLU A 75 -13.368 -26.254 29.699 1.00 21.34 H new ATOM 0 HG3 GLU A 75 -12.999 -27.842 29.055 1.00 21.34 H new ATOM 1166 N GLU A 76 -16.771 -25.479 29.337 1.00 14.42 N ATOM 1167 CA GLU A 76 -17.480 -25.348 30.604 1.00 55.40 C ATOM 1168 C GLU A 76 -16.722 -26.049 31.728 1.00 52.44 C ATOM 1169 O GLU A 76 -16.110 -27.096 31.519 1.00 74.35 O ATOM 1170 CB GLU A 76 -18.891 -25.928 30.487 1.00 21.40 C ATOM 1171 CG GLU A 76 -18.942 -27.261 29.758 1.00 75.12 C ATOM 1172 CD GLU A 76 -20.067 -28.151 30.250 1.00 53.13 C ATOM 1173 OE1 GLU A 76 -21.225 -27.920 29.843 1.00 51.43 O ATOM 1174 OE2 GLU A 76 -19.790 -29.077 31.040 1.00 33.35 O1- ATOM 0 H GLU A 76 -17.319 -25.903 28.588 1.00 14.42 H new ATOM 0 HA GLU A 76 -17.550 -24.287 30.843 1.00 55.40 H new ATOM 0 HB2 GLU A 76 -19.307 -26.054 31.487 1.00 21.40 H new ATOM 0 HB3 GLU A 76 -19.527 -25.213 29.965 1.00 21.40 H new ATOM 0 HG2 GLU A 76 -19.065 -27.082 28.690 1.00 75.12 H new ATOM 0 HG3 GLU A 76 -17.991 -27.778 29.887 1.00 75.12 H new ATOM 1181 N ASP A 77 -16.766 -25.461 32.919 1.00 24.14 N ATOM 1182 CA ASP A 77 -16.084 -26.028 34.077 1.00 14.13 C ATOM 1183 C ASP A 77 -17.053 -26.833 34.938 1.00 2.45 C ATOM 1184 O ASP A 77 -16.679 -27.844 35.533 1.00 35.31 O ATOM 1185 CB ASP A 77 -15.441 -24.919 34.911 1.00 0.41 C ATOM 1186 CG ASP A 77 -16.423 -24.270 35.866 1.00 44.35 C ATOM 1187 OD1 ASP A 77 -17.474 -23.784 35.398 1.00 4.44 O ATOM 1188 OD2 ASP A 77 -16.141 -24.249 37.082 1.00 33.42 O1- ATOM 0 H ASP A 77 -17.266 -24.592 33.108 1.00 24.14 H new ATOM 0 HA ASP A 77 -15.304 -26.698 33.716 1.00 14.13 H new ATOM 0 HB2 ASP A 77 -14.606 -25.332 35.478 1.00 0.41 H new ATOM 0 HB3 ASP A 77 -15.030 -24.160 34.246 1.00 0.41 H new ATOM 1193 N THR A 78 -18.299 -26.377 35.001 1.00 73.11 N ATOM 1194 CA THR A 78 -19.322 -27.051 35.791 1.00 32.45 C ATOM 1195 C THR A 78 -20.657 -27.075 35.057 1.00 35.21 C ATOM 1196 O THR A 78 -20.829 -26.401 34.042 1.00 74.43 O ATOM 1197 CB THR A 78 -19.513 -26.372 37.160 1.00 13.32 C ATOM 1198 OG1 THR A 78 -19.646 -24.957 36.990 1.00 10.33 O ATOM 1199 CG2 THR A 78 -18.340 -26.670 38.081 1.00 23.12 C ATOM 0 H THR A 78 -18.625 -25.542 34.514 1.00 73.11 H new ATOM 0 HA THR A 78 -18.978 -28.074 35.946 1.00 32.45 H new ATOM 0 HB THR A 78 -20.420 -26.770 37.615 1.00 13.32 H new ATOM 0 HG1 THR A 78 -18.881 -24.615 36.482 1.00 10.33 H new ATOM 0 HG21 THR A 78 -18.498 -26.180 39.042 1.00 23.12 H new ATOM 0 HG22 THR A 78 -18.260 -27.747 38.232 1.00 23.12 H new ATOM 0 HG23 THR A 78 -17.420 -26.298 37.631 1.00 23.12 H new ATOM 1207 N GLN A 79 -21.599 -27.856 35.577 1.00 71.11 N ATOM 1208 CA GLN A 79 -22.919 -27.967 34.969 1.00 23.05 C ATOM 1209 C GLN A 79 -24.016 -27.848 36.023 1.00 15.21 C ATOM 1210 O GLN A 79 -23.776 -28.072 37.210 1.00 62.32 O ATOM 1211 CB GLN A 79 -23.052 -29.297 34.227 1.00 33.22 C ATOM 1212 CG GLN A 79 -22.542 -30.490 35.019 1.00 21.24 C ATOM 1213 CD GLN A 79 -23.376 -30.771 36.253 1.00 23.50 C ATOM 1214 OE1 GLN A 79 -24.571 -31.050 36.158 1.00 74.23 O ATOM 1215 NE2 GLN A 79 -22.748 -30.700 37.421 1.00 4.20 N ATOM 0 H GLN A 79 -21.472 -28.420 36.417 1.00 71.11 H new ATOM 0 HA GLN A 79 -23.033 -27.149 34.258 1.00 23.05 H new ATOM 0 HB2 GLN A 79 -24.100 -29.460 33.976 1.00 33.22 H new ATOM 0 HB3 GLN A 79 -22.504 -29.235 33.287 1.00 33.22 H new ATOM 0 HG2 GLN A 79 -22.539 -31.372 34.379 1.00 21.24 H new ATOM 0 HG3 GLN A 79 -21.509 -30.309 35.317 1.00 21.24 H new ATOM 0 HE21 GLN A 79 -21.756 -30.465 37.453 1.00 4.20 H new ATOM 0 HE22 GLN A 79 -23.258 -30.880 38.286 1.00 4.20 H new ATOM 1224 N MET A 80 -25.219 -27.494 35.583 1.00 10.55 N ATOM 1225 CA MET A 80 -26.352 -27.346 36.488 1.00 33.12 C ATOM 1226 C MET A 80 -27.649 -27.768 35.809 1.00 54.10 C ATOM 1227 O MET A 80 -27.808 -27.612 34.598 1.00 32.25 O ATOM 1228 CB MET A 80 -26.461 -25.897 36.970 1.00 43.24 C ATOM 1229 CG MET A 80 -26.365 -24.876 35.849 1.00 33.52 C ATOM 1230 SD MET A 80 -27.312 -23.380 36.188 1.00 41.55 S ATOM 1231 CE MET A 80 -28.252 -23.222 34.672 1.00 74.23 C ATOM 0 H MET A 80 -25.434 -27.304 34.604 1.00 10.55 H new ATOM 0 HA MET A 80 -26.186 -27.995 37.348 1.00 33.12 H new ATOM 0 HB2 MET A 80 -27.410 -25.766 37.490 1.00 43.24 H new ATOM 0 HB3 MET A 80 -25.671 -25.703 37.696 1.00 43.24 H new ATOM 0 HG2 MET A 80 -25.319 -24.611 35.693 1.00 33.52 H new ATOM 0 HG3 MET A 80 -26.722 -25.325 34.922 1.00 33.52 H new ATOM 0 HE1 MET A 80 -28.888 -22.339 34.729 1.00 74.23 H new ATOM 0 HE2 MET A 80 -27.568 -23.123 33.829 1.00 74.23 H new ATOM 0 HE3 MET A 80 -28.872 -24.108 34.534 1.00 74.23 H new ATOM 1241 N VAL A 81 -28.578 -28.304 36.596 1.00 0.53 N ATOM 1242 CA VAL A 81 -29.862 -28.749 36.070 1.00 1.25 C ATOM 1243 C VAL A 81 -30.950 -27.713 36.328 1.00 62.43 C ATOM 1244 O VAL A 81 -31.756 -27.410 35.449 1.00 3.11 O ATOM 1245 CB VAL A 81 -30.290 -30.092 36.692 1.00 44.13 C ATOM 1246 CG1 VAL A 81 -31.535 -30.628 36.001 1.00 72.15 C ATOM 1247 CG2 VAL A 81 -29.152 -31.100 36.615 1.00 54.24 C ATOM 0 H VAL A 81 -28.464 -28.440 37.600 1.00 0.53 H new ATOM 0 HA VAL A 81 -29.735 -28.879 34.995 1.00 1.25 H new ATOM 0 HB VAL A 81 -30.529 -29.927 37.742 1.00 44.13 H new ATOM 0 HG11 VAL A 81 -31.822 -31.577 36.454 1.00 72.15 H new ATOM 0 HG12 VAL A 81 -32.349 -29.912 36.112 1.00 72.15 H new ATOM 0 HG13 VAL A 81 -31.327 -30.780 34.942 1.00 72.15 H new ATOM 0 HG21 VAL A 81 -29.471 -32.043 37.059 1.00 54.24 H new ATOM 0 HG22 VAL A 81 -28.880 -31.263 35.572 1.00 54.24 H new ATOM 0 HG23 VAL A 81 -28.289 -30.717 37.159 1.00 54.24 H new ATOM 1257 N ASP A 82 -30.967 -27.173 37.542 1.00 21.33 N ATOM 1258 CA ASP A 82 -31.955 -26.168 37.918 1.00 52.35 C ATOM 1259 C ASP A 82 -31.279 -24.929 38.497 1.00 42.13 C ATOM 1260 O ASP A 82 -30.069 -24.922 38.726 1.00 40.40 O ATOM 1261 CB ASP A 82 -32.942 -26.747 38.934 1.00 62.52 C ATOM 1262 CG ASP A 82 -32.292 -27.037 40.272 1.00 35.32 C ATOM 1263 OD1 ASP A 82 -31.237 -27.708 40.287 1.00 1.15 O ATOM 1264 OD2 ASP A 82 -32.835 -26.593 41.304 1.00 1.31 O1- ATOM 0 H ASP A 82 -30.308 -27.414 38.282 1.00 21.33 H new ATOM 0 HA ASP A 82 -32.499 -25.876 37.020 1.00 52.35 H new ATOM 0 HB2 ASP A 82 -33.764 -26.046 39.077 1.00 62.52 H new ATOM 0 HB3 ASP A 82 -33.372 -27.666 38.535 1.00 62.52 H new ATOM 1269 N GLU A 83 -32.067 -23.885 38.730 1.00 63.12 N ATOM 1270 CA GLU A 83 -31.542 -22.640 39.280 1.00 23.02 C ATOM 1271 C GLU A 83 -31.373 -22.743 40.793 1.00 10.51 C ATOM 1272 O GLU A 83 -32.233 -22.303 41.557 1.00 50.40 O ATOM 1273 CB GLU A 83 -32.471 -21.474 38.938 1.00 13.42 C ATOM 1274 CG GLU A 83 -31.795 -20.115 39.014 1.00 3.23 C ATOM 1275 CD GLU A 83 -32.670 -18.998 38.480 1.00 12.23 C ATOM 1276 OE1 GLU A 83 -33.899 -19.199 38.391 1.00 44.23 O ATOM 1277 OE2 GLU A 83 -32.126 -17.923 38.150 1.00 64.43 O1- ATOM 0 H GLU A 83 -33.070 -23.876 38.547 1.00 63.12 H new ATOM 0 HA GLU A 83 -30.564 -22.459 38.834 1.00 23.02 H new ATOM 0 HB2 GLU A 83 -32.866 -21.618 37.932 1.00 13.42 H new ATOM 0 HB3 GLU A 83 -33.322 -21.486 39.620 1.00 13.42 H new ATOM 0 HG2 GLU A 83 -31.532 -19.902 40.050 1.00 3.23 H new ATOM 0 HG3 GLU A 83 -30.864 -20.144 38.448 1.00 3.23 H new ATOM 1284 N VAL A 84 -30.260 -23.329 41.220 1.00 23.40 N ATOM 1285 CA VAL A 84 -29.976 -23.490 42.641 1.00 2.42 C ATOM 1286 C VAL A 84 -29.225 -22.283 43.192 1.00 11.52 C ATOM 1287 O VAL A 84 -28.105 -21.991 42.771 1.00 34.13 O ATOM 1288 CB VAL A 84 -29.149 -24.762 42.909 1.00 24.22 C ATOM 1289 CG1 VAL A 84 -28.853 -24.904 44.394 1.00 14.11 C ATOM 1290 CG2 VAL A 84 -29.876 -25.991 42.381 1.00 53.25 C ATOM 0 H VAL A 84 -29.539 -23.701 40.602 1.00 23.40 H new ATOM 0 HA VAL A 84 -30.937 -23.578 43.147 1.00 2.42 H new ATOM 0 HB VAL A 84 -28.199 -24.675 42.381 1.00 24.22 H new ATOM 0 HG11 VAL A 84 -28.268 -25.808 44.564 1.00 14.11 H new ATOM 0 HG12 VAL A 84 -28.288 -24.037 44.737 1.00 14.11 H new ATOM 0 HG13 VAL A 84 -29.790 -24.969 44.947 1.00 14.11 H new ATOM 0 HG21 VAL A 84 -29.278 -26.880 42.579 1.00 53.25 H new ATOM 0 HG22 VAL A 84 -30.841 -26.085 42.879 1.00 53.25 H new ATOM 0 HG23 VAL A 84 -30.030 -25.889 41.307 1.00 53.25 H new ATOM 1300 N VAL A 85 -29.847 -21.586 44.137 1.00 23.03 N ATOM 1301 CA VAL A 85 -29.238 -20.411 44.747 1.00 53.43 C ATOM 1302 C VAL A 85 -28.227 -20.810 45.817 1.00 23.44 C ATOM 1303 O VAL A 85 -28.471 -21.722 46.608 1.00 52.44 O ATOM 1304 CB VAL A 85 -30.299 -19.491 45.378 1.00 31.15 C ATOM 1305 CG1 VAL A 85 -31.045 -20.217 46.487 1.00 62.05 C ATOM 1306 CG2 VAL A 85 -29.655 -18.217 45.903 1.00 13.25 C ATOM 0 H VAL A 85 -30.773 -21.815 44.497 1.00 23.03 H new ATOM 0 HA VAL A 85 -28.727 -19.870 43.950 1.00 53.43 H new ATOM 0 HB VAL A 85 -31.020 -19.216 44.608 1.00 31.15 H new ATOM 0 HG11 VAL A 85 -31.791 -19.551 46.921 1.00 62.05 H new ATOM 0 HG12 VAL A 85 -31.540 -21.097 46.077 1.00 62.05 H new ATOM 0 HG13 VAL A 85 -30.340 -20.524 47.259 1.00 62.05 H new ATOM 0 HG21 VAL A 85 -30.420 -17.579 46.346 1.00 13.25 H new ATOM 0 HG22 VAL A 85 -28.911 -18.470 46.659 1.00 13.25 H new ATOM 0 HG23 VAL A 85 -29.172 -17.688 45.081 1.00 13.25 H new ATOM 1316 N VAL A 86 -27.090 -20.121 45.836 1.00 13.51 N ATOM 1317 CA VAL A 86 -26.041 -20.402 46.809 1.00 11.22 C ATOM 1318 C VAL A 86 -25.426 -19.112 47.342 1.00 63.12 C ATOM 1319 O VAL A 86 -24.906 -18.298 46.580 1.00 25.30 O ATOM 1320 CB VAL A 86 -24.929 -21.275 46.200 1.00 50.12 C ATOM 1321 CG1 VAL A 86 -23.902 -21.647 47.259 1.00 3.22 C ATOM 1322 CG2 VAL A 86 -25.520 -22.520 45.558 1.00 73.01 C ATOM 0 H VAL A 86 -26.872 -19.364 45.188 1.00 13.51 H new ATOM 0 HA VAL A 86 -26.509 -20.945 47.630 1.00 11.22 H new ATOM 0 HB VAL A 86 -24.424 -20.700 45.424 1.00 50.12 H new ATOM 0 HG11 VAL A 86 -23.124 -22.264 46.810 1.00 3.22 H new ATOM 0 HG12 VAL A 86 -23.456 -20.740 47.667 1.00 3.22 H new ATOM 0 HG13 VAL A 86 -24.390 -22.204 48.059 1.00 3.22 H new ATOM 0 HG21 VAL A 86 -24.719 -23.125 45.133 1.00 73.01 H new ATOM 0 HG22 VAL A 86 -26.052 -23.100 46.312 1.00 73.01 H new ATOM 0 HG23 VAL A 86 -26.213 -22.228 44.769 1.00 73.01 H new ATOM 1332 N THR A 87 -25.491 -18.932 48.658 1.00 32.30 N ATOM 1333 CA THR A 87 -24.942 -17.742 49.295 1.00 63.34 C ATOM 1334 C THR A 87 -23.429 -17.671 49.116 1.00 32.24 C ATOM 1335 O THR A 87 -22.714 -18.628 49.411 1.00 11.13 O ATOM 1336 CB THR A 87 -25.271 -17.706 50.798 1.00 65.24 C ATOM 1337 OG1 THR A 87 -26.171 -18.770 51.128 1.00 1.23 O ATOM 1338 CG2 THR A 87 -25.893 -16.372 51.184 1.00 64.13 C ATOM 0 H THR A 87 -25.919 -19.596 49.303 1.00 32.30 H new ATOM 0 HA THR A 87 -25.404 -16.883 48.809 1.00 63.34 H new ATOM 0 HB THR A 87 -24.342 -17.831 51.354 1.00 65.24 H new ATOM 0 HG1 THR A 87 -26.374 -18.741 52.086 1.00 1.23 H new ATOM 0 HG21 THR A 87 -26.117 -16.370 52.251 1.00 64.13 H new ATOM 0 HG22 THR A 87 -25.195 -15.566 50.958 1.00 64.13 H new ATOM 0 HG23 THR A 87 -26.814 -16.223 50.620 1.00 64.13 H new ATOM 1346 N GLY A 88 -22.947 -16.531 48.631 1.00 61.42 N ATOM 1347 CA GLY A 88 -21.522 -16.357 48.421 1.00 23.00 C ATOM 1348 C GLY A 88 -21.202 -15.784 47.056 1.00 61.32 C ATOM 1349 O GLY A 88 -21.532 -16.381 46.031 1.00 11.31 O ATOM 0 H GLY A 88 -23.519 -15.724 48.380 1.00 61.42 H new ATOM 0 HA2 GLY A 88 -21.123 -15.697 49.191 1.00 23.00 H new ATOM 0 HA3 GLY A 88 -21.021 -17.319 48.534 1.00 23.00 H new ATOM 1353 N TYR A 89 -20.558 -14.621 47.039 1.00 75.33 N ATOM 1354 CA TYR A 89 -20.198 -13.965 45.788 1.00 31.00 C ATOM 1355 C TYR A 89 -18.835 -13.288 45.902 1.00 2.11 C ATOM 1356 O TYR A 89 -18.321 -13.081 47.001 1.00 10.14 O ATOM 1357 CB TYR A 89 -21.261 -12.935 45.404 1.00 63.35 C ATOM 1358 CG TYR A 89 -21.401 -12.739 43.911 1.00 22.31 C ATOM 1359 CD1 TYR A 89 -20.982 -11.561 43.303 1.00 11.32 C ATOM 1360 CD2 TYR A 89 -21.954 -13.728 43.109 1.00 75.11 C ATOM 1361 CE1 TYR A 89 -21.108 -11.377 41.940 1.00 30.34 C ATOM 1362 CE2 TYR A 89 -22.084 -13.553 41.744 1.00 50.14 C ATOM 1363 CZ TYR A 89 -21.659 -12.376 41.165 1.00 73.01 C ATOM 1364 OH TYR A 89 -21.788 -12.197 39.806 1.00 13.23 O ATOM 0 H TYR A 89 -20.275 -14.114 47.878 1.00 75.33 H new ATOM 0 HA TYR A 89 -20.142 -14.726 45.010 1.00 31.00 H new ATOM 0 HB2 TYR A 89 -22.222 -13.247 45.813 1.00 63.35 H new ATOM 0 HB3 TYR A 89 -21.013 -11.979 45.866 1.00 63.35 H new ATOM 0 HD1 TYR A 89 -20.551 -10.776 43.907 1.00 11.32 H new ATOM 0 HD2 TYR A 89 -22.289 -14.651 43.560 1.00 75.11 H new ATOM 0 HE1 TYR A 89 -20.777 -10.456 41.484 1.00 30.34 H new ATOM 0 HE2 TYR A 89 -22.516 -14.333 41.135 1.00 50.14 H new ATOM 0 HH TYR A 89 -22.194 -12.995 39.408 1.00 13.23 H new ATOM 1374 N THR A 90 -18.256 -12.945 44.756 1.00 63.13 N ATOM 1375 CA THR A 90 -16.953 -12.292 44.724 1.00 73.03 C ATOM 1376 C THR A 90 -17.099 -10.779 44.598 1.00 22.02 C ATOM 1377 O THR A 90 -17.638 -10.279 43.611 1.00 3.25 O ATOM 1378 CB THR A 90 -16.091 -12.813 43.559 1.00 65.23 C ATOM 1379 OG1 THR A 90 -16.919 -13.092 42.424 1.00 50.24 O ATOM 1380 CG2 THR A 90 -15.336 -14.070 43.963 1.00 14.03 C ATOM 0 H THR A 90 -18.669 -13.108 43.838 1.00 63.13 H new ATOM 0 HA THR A 90 -16.458 -12.529 45.666 1.00 73.03 H new ATOM 0 HB THR A 90 -15.366 -12.041 43.299 1.00 65.23 H new ATOM 0 HG1 THR A 90 -16.363 -13.421 41.687 1.00 50.24 H new ATOM 0 HG21 THR A 90 -14.734 -14.419 43.124 1.00 14.03 H new ATOM 0 HG22 THR A 90 -14.685 -13.847 44.808 1.00 14.03 H new ATOM 0 HG23 THR A 90 -16.047 -14.846 44.247 1.00 14.03 H new TER 1388 THR A 90