USER MOD reduce.3.24.130724 H: found=0, std=0, add=1125, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1125 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 112 MET CE :methyl 169:sc= -0.0274 (180deg=-0.242) USER MOD Set 1.2: A 143 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 64 GLN : amide:sc= 1.03 X(o=3.4,f=3.1) USER MOD Set 2.2: A 69 HIS : +bothHN:sc= 2.35 K(o=3.4,f=-12!) USER MOD Set 3.1: A 31 GLN : amide:sc= 1.11 K(o=2.2,f=-0.73) USER MOD Set 3.2: A 35 ASN : amide:sc= 1.06 K(o=2.2,f=0.49) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl -165:sc= -0.0113 (180deg=-0.302) USER MOD Single : A 6 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0787) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 8 MET CE :methyl 165:sc= -0.0399 (180deg=-0.383) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0.756 K(o=0.76,f=-5.1!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 160:sc= -0.0763 (180deg=-0.841) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.638 K(o=0.64,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.0792 X(o=-0.079,f=-0.0073) USER MOD Single : A 30 MET CE :methyl -161:sc= -0.0189 (180deg=-0.305) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.0139 X(o=0.014,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.246 K(o=0.25,f=-0.86) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0223) USER MOD Single : A 66 MET CE :methyl -164:sc= -0.0123 (180deg=-0.0134) USER MOD Single : A 67 ASN : amide:sc= 0.402 K(o=0.4,f=-0.29) USER MOD Single : A 70 HIS : no HD1:sc= 0.29 K(o=0.29,f=-5!) USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0659) USER MOD Single : A 74 MET CE :methyl -120:sc= 0 (180deg=-0.28) USER MOD Single : A 78 MET CE :methyl 165:sc=-0.00743 (180deg=-0.304) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= 0.0899 K(o=0.09,f=-5.8!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.363 X(o=-0.36,f=0.0095) USER MOD Single : A 94 LYS NZ :NH3+ -151:sc= 0.452 (180deg=0.187) USER MOD Single : A 95 HIS : no HD1:sc= -2.55! C(o=-2.5!,f=-5.7!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 111 THR OG1 : rot 160:sc= 0.467 USER MOD Single : A 114 ASN : amide:sc= 0.448 K(o=0.45,f=-0.84) USER MOD Single : A 117 MET CE :methyl -164:sc= -0.0776 (180deg=-0.464) USER MOD Single : A 120 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.0328) USER MOD Single : A 124 HIS : no HE2:sc= 0.774 K(o=0.77,f=-4.1!) USER MOD Single : A 125 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00678) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.132 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.084 -27.523 -1.266 1.00 55.11 N ATOM 2 CA SER A 1 5.952 -26.581 -2.446 1.00 2.30 C ATOM 3 C SER A 1 5.340 -25.223 -2.111 1.00 60.12 C ATOM 4 O SER A 1 5.859 -24.177 -2.502 1.00 11.31 O ATOM 5 CB SER A 1 5.113 -27.299 -3.547 1.00 41.24 C ATOM 6 OG SER A 1 4.998 -26.526 -4.743 1.00 61.03 O ATOM 0 H1 SER A 1 6.507 -28.419 -1.582 1.00 55.11 H new ATOM 0 H2 SER A 1 6.692 -27.089 -0.542 1.00 55.11 H new ATOM 0 H3 SER A 1 5.143 -27.708 -0.863 1.00 55.11 H new ATOM 0 HA SER A 1 6.960 -26.353 -2.792 1.00 2.30 H new ATOM 0 HB2 SER A 1 5.574 -28.258 -3.782 1.00 41.24 H new ATOM 0 HB3 SER A 1 4.117 -27.511 -3.159 1.00 41.24 H new ATOM 0 HG SER A 1 4.465 -27.019 -5.401 1.00 61.03 H new ATOM 14 N LYS A 2 4.228 -25.195 -1.335 1.00 62.14 N ATOM 15 CA LYS A 2 3.404 -24.016 -1.121 1.00 31.23 C ATOM 16 C LYS A 2 4.128 -22.870 -0.443 1.00 24.14 C ATOM 17 O LYS A 2 4.010 -21.719 -0.852 1.00 41.44 O ATOM 18 CB LYS A 2 2.153 -24.357 -0.275 1.00 13.32 C ATOM 19 CG LYS A 2 1.131 -25.257 -0.989 1.00 11.22 C ATOM 20 CD LYS A 2 -0.089 -25.538 -0.094 1.00 50.31 C ATOM 21 CE LYS A 2 -1.256 -26.232 -0.800 1.00 24.01 C ATOM 22 NZ LYS A 2 -0.883 -27.607 -1.184 1.00 0.13 N ATOM 0 H LYS A 2 3.886 -26.017 -0.837 1.00 62.14 H new ATOM 0 HA LYS A 2 3.124 -23.691 -2.123 1.00 31.23 H new ATOM 0 HB2 LYS A 2 2.473 -24.849 0.643 1.00 13.32 H new ATOM 0 HB3 LYS A 2 1.661 -23.429 0.015 1.00 13.32 H new ATOM 0 HG2 LYS A 2 0.805 -24.779 -1.912 1.00 11.22 H new ATOM 0 HG3 LYS A 2 1.605 -26.198 -1.268 1.00 11.22 H new ATOM 0 HD2 LYS A 2 0.229 -26.156 0.746 1.00 50.31 H new ATOM 0 HD3 LYS A 2 -0.443 -24.594 0.321 1.00 50.31 H new ATOM 0 HE2 LYS A 2 -2.125 -26.255 -0.142 1.00 24.01 H new ATOM 0 HE3 LYS A 2 -1.542 -25.665 -1.686 1.00 24.01 H new ATOM 0 HZ1 LYS A 2 -1.686 -28.064 -1.662 1.00 0.13 H new ATOM 0 HZ2 LYS A 2 -0.067 -27.578 -1.828 1.00 0.13 H new ATOM 0 HZ3 LYS A 2 -0.633 -28.149 -0.333 1.00 0.13 H new ATOM 36 N GLU A 3 4.931 -23.173 0.601 1.00 73.42 N ATOM 37 CA GLU A 3 5.695 -22.187 1.348 1.00 31.23 C ATOM 38 C GLU A 3 7.092 -21.995 0.808 1.00 45.33 C ATOM 39 O GLU A 3 7.923 -21.305 1.392 1.00 44.21 O ATOM 40 CB GLU A 3 5.750 -22.541 2.859 1.00 12.21 C ATOM 41 CG GLU A 3 4.355 -22.526 3.536 1.00 62.41 C ATOM 42 CD GLU A 3 4.385 -22.884 5.026 1.00 72.02 C ATOM 43 OE1 GLU A 3 5.481 -23.190 5.560 1.00 52.55 O ATOM 44 OE2 GLU A 3 3.283 -22.858 5.635 1.00 43.04 O ATOM 0 H GLU A 3 5.058 -24.126 0.942 1.00 73.42 H new ATOM 0 HA GLU A 3 5.167 -21.242 1.225 1.00 31.23 H new ATOM 0 HB2 GLU A 3 6.195 -23.529 2.979 1.00 12.21 H new ATOM 0 HB3 GLU A 3 6.403 -21.833 3.369 1.00 12.21 H new ATOM 0 HG2 GLU A 3 3.916 -21.535 3.419 1.00 62.41 H new ATOM 0 HG3 GLU A 3 3.702 -23.228 3.017 1.00 62.41 H new ATOM 51 N VAL A 4 7.356 -22.620 -0.345 1.00 13.10 N ATOM 52 CA VAL A 4 8.648 -22.577 -1.018 1.00 31.32 C ATOM 53 C VAL A 4 8.537 -21.632 -2.187 1.00 53.54 C ATOM 54 O VAL A 4 9.368 -20.747 -2.377 1.00 52.32 O ATOM 55 CB VAL A 4 9.092 -23.906 -1.625 1.00 11.51 C ATOM 56 CG1 VAL A 4 10.483 -23.796 -2.296 1.00 14.33 C ATOM 57 CG2 VAL A 4 9.054 -25.035 -0.594 1.00 62.13 C ATOM 0 H VAL A 4 6.661 -23.179 -0.841 1.00 13.10 H new ATOM 0 HA VAL A 4 9.367 -22.284 -0.253 1.00 31.32 H new ATOM 0 HB VAL A 4 8.377 -24.155 -2.409 1.00 11.51 H new ATOM 0 HG11 VAL A 4 10.762 -24.763 -2.715 1.00 14.33 H new ATOM 0 HG12 VAL A 4 10.445 -23.052 -3.092 1.00 14.33 H new ATOM 0 HG13 VAL A 4 11.222 -23.495 -1.554 1.00 14.33 H new ATOM 0 HG21 VAL A 4 9.376 -25.966 -1.061 1.00 62.13 H new ATOM 0 HG22 VAL A 4 9.721 -24.795 0.234 1.00 62.13 H new ATOM 0 HG23 VAL A 4 8.037 -25.151 -0.218 1.00 62.13 H new ATOM 67 N MET A 5 7.504 -21.866 -3.037 1.00 54.35 N ATOM 68 CA MET A 5 7.526 -21.478 -4.427 1.00 65.10 C ATOM 69 C MET A 5 7.535 -19.975 -4.657 1.00 24.23 C ATOM 70 O MET A 5 8.157 -19.478 -5.594 1.00 62.14 O ATOM 71 CB MET A 5 6.354 -22.145 -5.205 1.00 3.45 C ATOM 72 CG MET A 5 4.929 -21.717 -4.788 1.00 63.40 C ATOM 73 SD MET A 5 3.594 -22.609 -5.650 1.00 32.14 S ATOM 74 CE MET A 5 3.842 -21.891 -7.300 1.00 13.34 C ATOM 0 H MET A 5 6.642 -22.331 -2.754 1.00 54.35 H new ATOM 0 HA MET A 5 8.477 -21.841 -4.816 1.00 65.10 H new ATOM 0 HB2 MET A 5 6.480 -21.929 -6.266 1.00 3.45 H new ATOM 0 HB3 MET A 5 6.436 -23.226 -5.088 1.00 3.45 H new ATOM 0 HG2 MET A 5 4.817 -21.868 -3.714 1.00 63.40 H new ATOM 0 HG3 MET A 5 4.815 -20.649 -4.973 1.00 63.40 H new ATOM 0 HE1 MET A 5 2.970 -22.095 -7.921 1.00 13.34 H new ATOM 0 HE2 MET A 5 3.980 -20.813 -7.211 1.00 13.34 H new ATOM 0 HE3 MET A 5 4.726 -22.333 -7.760 1.00 13.34 H new ATOM 84 N LYS A 6 6.853 -19.221 -3.771 1.00 61.32 N ATOM 85 CA LYS A 6 6.923 -17.784 -3.709 1.00 12.02 C ATOM 86 C LYS A 6 6.948 -17.487 -2.224 1.00 43.23 C ATOM 87 O LYS A 6 6.138 -18.025 -1.470 1.00 52.22 O ATOM 88 CB LYS A 6 5.707 -17.169 -4.459 1.00 4.24 C ATOM 89 CG LYS A 6 5.638 -15.633 -4.578 1.00 2.31 C ATOM 90 CD LYS A 6 5.029 -14.907 -3.365 1.00 14.23 C ATOM 91 CE LYS A 6 4.935 -13.385 -3.519 1.00 15.21 C ATOM 92 NZ LYS A 6 4.003 -13.027 -4.608 1.00 64.30 N ATOM 0 H LYS A 6 6.229 -19.623 -3.071 1.00 61.32 H new ATOM 0 HA LYS A 6 7.795 -17.349 -4.197 1.00 12.02 H new ATOM 0 HB2 LYS A 6 5.690 -17.584 -5.467 1.00 4.24 H new ATOM 0 HB3 LYS A 6 4.799 -17.507 -3.960 1.00 4.24 H new ATOM 0 HG2 LYS A 6 6.646 -15.252 -4.740 1.00 2.31 H new ATOM 0 HG3 LYS A 6 5.055 -15.379 -5.463 1.00 2.31 H new ATOM 0 HD2 LYS A 6 4.030 -15.304 -3.183 1.00 14.23 H new ATOM 0 HD3 LYS A 6 5.628 -15.134 -2.483 1.00 14.23 H new ATOM 0 HE2 LYS A 6 4.597 -12.940 -2.583 1.00 15.21 H new ATOM 0 HE3 LYS A 6 5.922 -12.974 -3.729 1.00 15.21 H new ATOM 0 HZ1 LYS A 6 3.835 -12.001 -4.598 1.00 64.30 H new ATOM 0 HZ2 LYS A 6 4.416 -13.302 -5.522 1.00 64.30 H new ATOM 0 HZ3 LYS A 6 3.101 -13.526 -4.471 1.00 64.30 H new ATOM 106 N GLN A 7 7.921 -16.675 -1.747 1.00 13.54 N ATOM 107 CA GLN A 7 8.129 -16.460 -0.326 1.00 54.20 C ATOM 108 C GLN A 7 7.120 -15.511 0.307 1.00 42.44 C ATOM 109 O GLN A 7 6.681 -14.534 -0.296 1.00 3.42 O ATOM 110 CB GLN A 7 9.574 -15.962 -0.041 1.00 42.12 C ATOM 111 CG GLN A 7 9.929 -14.585 -0.652 1.00 73.21 C ATOM 112 CD GLN A 7 11.384 -14.207 -0.352 1.00 62.30 C ATOM 113 OE1 GLN A 7 12.106 -14.897 0.371 1.00 51.11 O ATOM 114 NE2 GLN A 7 11.832 -13.062 -0.933 1.00 3.12 N ATOM 0 H GLN A 7 8.570 -16.162 -2.344 1.00 13.54 H new ATOM 0 HA GLN A 7 7.978 -17.434 0.139 1.00 54.20 H new ATOM 0 HB2 GLN A 7 9.717 -15.910 1.038 1.00 42.12 H new ATOM 0 HB3 GLN A 7 10.278 -16.702 -0.421 1.00 42.12 H new ATOM 0 HG2 GLN A 7 9.772 -14.611 -1.730 1.00 73.21 H new ATOM 0 HG3 GLN A 7 9.262 -13.822 -0.250 1.00 73.21 H new ATOM 0 HE21 GLN A 7 11.209 -12.514 -1.526 1.00 3.12 H new ATOM 0 HE22 GLN A 7 12.791 -12.752 -0.776 1.00 3.12 H new ATOM 123 N MET A 8 6.730 -15.785 1.571 1.00 52.04 N ATOM 124 CA MET A 8 5.770 -14.975 2.285 1.00 3.31 C ATOM 125 C MET A 8 6.202 -14.933 3.735 1.00 31.24 C ATOM 126 O MET A 8 6.704 -15.922 4.266 1.00 34.44 O ATOM 127 CB MET A 8 4.338 -15.561 2.150 1.00 2.42 C ATOM 128 CG MET A 8 3.214 -14.735 2.814 1.00 33.41 C ATOM 129 SD MET A 8 3.024 -13.036 2.177 1.00 73.22 S ATOM 130 CE MET A 8 2.533 -13.445 0.475 1.00 25.41 C ATOM 0 H MET A 8 7.083 -16.577 2.108 1.00 52.04 H new ATOM 0 HA MET A 8 5.739 -13.968 1.868 1.00 3.31 H new ATOM 0 HB2 MET A 8 4.107 -15.669 1.090 1.00 2.42 H new ATOM 0 HB3 MET A 8 4.332 -16.562 2.581 1.00 2.42 H new ATOM 0 HG2 MET A 8 2.270 -15.264 2.683 1.00 33.41 H new ATOM 0 HG3 MET A 8 3.405 -14.685 3.886 1.00 33.41 H new ATOM 0 HE1 MET A 8 2.114 -12.561 -0.005 1.00 25.41 H new ATOM 0 HE2 MET A 8 3.406 -13.783 -0.084 1.00 25.41 H new ATOM 0 HE3 MET A 8 1.784 -14.237 0.493 1.00 25.41 H new ATOM 140 N THR A 9 6.044 -13.773 4.407 1.00 62.11 N ATOM 141 CA THR A 9 6.317 -13.629 5.825 1.00 11.10 C ATOM 142 C THR A 9 5.269 -12.672 6.346 1.00 12.43 C ATOM 143 O THR A 9 4.694 -11.913 5.566 1.00 23.13 O ATOM 144 CB THR A 9 7.738 -13.148 6.135 1.00 72.41 C ATOM 145 OG1 THR A 9 8.009 -13.195 7.531 1.00 11.53 O ATOM 146 CG2 THR A 9 8.000 -11.717 5.627 1.00 52.05 C ATOM 0 H THR A 9 5.721 -12.913 3.964 1.00 62.11 H new ATOM 0 HA THR A 9 6.264 -14.600 6.318 1.00 11.10 H new ATOM 0 HB THR A 9 8.404 -13.831 5.608 1.00 72.41 H new ATOM 0 HG1 THR A 9 8.923 -12.884 7.697 1.00 11.53 H new ATOM 0 HG21 THR A 9 9.021 -11.425 5.872 1.00 52.05 H new ATOM 0 HG22 THR A 9 7.863 -11.684 4.546 1.00 52.05 H new ATOM 0 HG23 THR A 9 7.302 -11.028 6.103 1.00 52.05 H new ATOM 154 N ILE A 10 4.964 -12.713 7.661 1.00 44.13 N ATOM 155 CA ILE A 10 3.973 -11.852 8.283 1.00 52.12 C ATOM 156 C ILE A 10 4.588 -11.249 9.529 1.00 5.42 C ATOM 157 O ILE A 10 5.579 -11.747 10.060 1.00 13.21 O ATOM 158 CB ILE A 10 2.631 -12.521 8.644 1.00 60.52 C ATOM 159 CG1 ILE A 10 2.695 -13.667 9.699 1.00 2.23 C ATOM 160 CG2 ILE A 10 1.930 -12.957 7.337 1.00 72.32 C ATOM 161 CD1 ILE A 10 3.299 -15.004 9.246 1.00 11.52 C ATOM 0 H ILE A 10 5.411 -13.356 8.314 1.00 44.13 H new ATOM 0 HA ILE A 10 3.713 -11.104 7.534 1.00 52.12 H new ATOM 0 HB ILE A 10 2.040 -11.767 9.164 1.00 60.52 H new ATOM 0 HG12 ILE A 10 3.270 -13.309 10.553 1.00 2.23 H new ATOM 0 HG13 ILE A 10 1.682 -13.857 10.054 1.00 2.23 H new ATOM 0 HG21 ILE A 10 0.979 -13.432 7.576 1.00 72.32 H new ATOM 0 HG22 ILE A 10 1.752 -12.083 6.711 1.00 72.32 H new ATOM 0 HG23 ILE A 10 2.565 -13.664 6.802 1.00 72.32 H new ATOM 0 HD11 ILE A 10 3.282 -15.711 10.076 1.00 11.52 H new ATOM 0 HD12 ILE A 10 2.716 -15.404 8.417 1.00 11.52 H new ATOM 0 HD13 ILE A 10 4.328 -14.848 8.924 1.00 11.52 H new ATOM 173 N ASN A 11 4.017 -10.127 10.014 1.00 73.21 N ATOM 174 CA ASN A 11 4.437 -9.478 11.231 1.00 41.11 C ATOM 175 C ASN A 11 3.211 -8.723 11.714 1.00 43.15 C ATOM 176 O ASN A 11 2.339 -8.394 10.910 1.00 14.34 O ATOM 177 CB ASN A 11 5.645 -8.526 10.964 1.00 51.53 C ATOM 178 CG ASN A 11 6.234 -7.933 12.245 1.00 14.52 C ATOM 179 OD1 ASN A 11 5.723 -6.931 12.752 1.00 22.30 O ATOM 180 ND2 ASN A 11 7.310 -8.560 12.784 1.00 61.44 N ATOM 0 H ASN A 11 3.241 -9.655 9.549 1.00 73.21 H new ATOM 0 HA ASN A 11 4.787 -10.186 11.982 1.00 41.11 H new ATOM 0 HB2 ASN A 11 6.423 -9.075 10.434 1.00 51.53 H new ATOM 0 HB3 ASN A 11 5.324 -7.716 10.309 1.00 51.53 H new ATOM 0 HD21 ASN A 11 7.729 -8.205 13.643 1.00 61.44 H new ATOM 0 HD22 ASN A 11 7.699 -9.386 12.330 1.00 61.44 H new ATOM 187 N PHE A 12 3.120 -8.403 13.026 1.00 23.02 N ATOM 188 CA PHE A 12 2.037 -7.624 13.606 1.00 14.24 C ATOM 189 C PHE A 12 1.983 -6.184 13.103 1.00 44.32 C ATOM 190 O PHE A 12 0.933 -5.546 13.122 1.00 61.04 O ATOM 191 CB PHE A 12 2.079 -7.677 15.168 1.00 3.11 C ATOM 192 CG PHE A 12 3.301 -7.034 15.782 1.00 22.21 C ATOM 193 CD1 PHE A 12 3.302 -5.664 16.101 1.00 41.11 C ATOM 194 CD2 PHE A 12 4.444 -7.799 16.073 1.00 12.34 C ATOM 195 CE1 PHE A 12 4.430 -5.063 16.673 1.00 74.34 C ATOM 196 CE2 PHE A 12 5.574 -7.203 16.650 1.00 23.52 C ATOM 197 CZ PHE A 12 5.567 -5.834 16.947 1.00 71.53 C ATOM 0 H PHE A 12 3.818 -8.692 13.711 1.00 23.02 H new ATOM 0 HA PHE A 12 1.114 -8.093 13.266 1.00 14.24 H new ATOM 0 HB2 PHE A 12 1.189 -7.185 15.560 1.00 3.11 H new ATOM 0 HB3 PHE A 12 2.033 -8.719 15.485 1.00 3.11 H new ATOM 0 HD1 PHE A 12 2.423 -5.069 15.903 1.00 41.11 H new ATOM 0 HD2 PHE A 12 4.452 -8.856 15.850 1.00 12.34 H new ATOM 0 HE1 PHE A 12 4.423 -4.008 16.902 1.00 74.34 H new ATOM 0 HE2 PHE A 12 6.449 -7.799 16.865 1.00 23.52 H new ATOM 0 HZ PHE A 12 6.439 -5.373 17.387 1.00 71.53 H new ATOM 207 N ALA A 13 3.116 -5.650 12.596 1.00 54.43 N ATOM 208 CA ALA A 13 3.171 -4.401 11.870 1.00 1.13 C ATOM 209 C ALA A 13 2.472 -4.382 10.532 1.00 10.43 C ATOM 210 O ALA A 13 2.016 -3.324 10.103 1.00 52.23 O ATOM 211 CB ALA A 13 4.624 -3.982 11.656 1.00 70.32 C ATOM 0 H ALA A 13 4.027 -6.099 12.692 1.00 54.43 H new ATOM 0 HA ALA A 13 2.626 -3.702 12.505 1.00 1.13 H new ATOM 0 HB1 ALA A 13 4.654 -3.040 11.108 1.00 70.32 H new ATOM 0 HB2 ALA A 13 5.112 -3.856 12.622 1.00 70.32 H new ATOM 0 HB3 ALA A 13 5.144 -4.751 11.085 1.00 70.32 H new ATOM 217 N LYS A 14 2.366 -5.527 9.821 1.00 60.03 N ATOM 218 CA LYS A 14 1.819 -5.552 8.480 1.00 55.32 C ATOM 219 C LYS A 14 0.359 -5.124 8.388 1.00 60.54 C ATOM 220 O LYS A 14 0.085 -4.308 7.505 1.00 41.13 O ATOM 221 CB LYS A 14 2.018 -6.934 7.805 1.00 52.31 C ATOM 222 CG LYS A 14 3.502 -7.317 7.629 1.00 52.55 C ATOM 223 CD LYS A 14 4.342 -6.274 6.869 1.00 51.04 C ATOM 224 CE LYS A 14 5.759 -6.753 6.555 1.00 24.00 C ATOM 225 NZ LYS A 14 6.494 -5.680 5.856 1.00 62.14 N ATOM 0 H LYS A 14 2.658 -6.440 10.171 1.00 60.03 H new ATOM 0 HA LYS A 14 2.391 -4.801 7.935 1.00 55.32 H new ATOM 0 HB2 LYS A 14 1.521 -7.698 8.403 1.00 52.31 H new ATOM 0 HB3 LYS A 14 1.533 -6.927 6.829 1.00 52.31 H new ATOM 0 HG2 LYS A 14 3.943 -7.474 8.613 1.00 52.55 H new ATOM 0 HG3 LYS A 14 3.559 -8.268 7.099 1.00 52.55 H new ATOM 0 HD2 LYS A 14 3.837 -6.020 5.937 1.00 51.04 H new ATOM 0 HD3 LYS A 14 4.397 -5.361 7.461 1.00 51.04 H new ATOM 0 HE2 LYS A 14 6.276 -7.023 7.476 1.00 24.00 H new ATOM 0 HE3 LYS A 14 5.723 -7.649 5.935 1.00 24.00 H new ATOM 0 HZ1 LYS A 14 7.459 -6.003 5.641 1.00 62.14 H new ATOM 0 HZ2 LYS A 14 6.003 -5.443 4.970 1.00 62.14 H new ATOM 0 HZ3 LYS A 14 6.539 -4.837 6.464 1.00 62.14 H new ATOM 239 N PRO A 15 -0.622 -5.525 9.213 1.00 35.45 N ATOM 240 CA PRO A 15 -1.919 -4.864 9.215 1.00 72.34 C ATOM 241 C PRO A 15 -1.858 -3.446 9.748 1.00 74.31 C ATOM 242 O PRO A 15 -2.701 -2.634 9.379 1.00 53.24 O ATOM 243 CB PRO A 15 -2.782 -5.736 10.130 1.00 62.43 C ATOM 244 CG PRO A 15 -1.796 -6.395 11.092 1.00 23.04 C ATOM 245 CD PRO A 15 -0.538 -6.573 10.240 1.00 44.15 C ATOM 0 HA PRO A 15 -2.311 -4.769 8.202 1.00 72.34 H new ATOM 0 HB2 PRO A 15 -3.517 -5.137 10.667 1.00 62.43 H new ATOM 0 HB3 PRO A 15 -3.334 -6.482 9.559 1.00 62.43 H new ATOM 0 HG2 PRO A 15 -1.606 -5.769 11.964 1.00 23.04 H new ATOM 0 HG3 PRO A 15 -2.171 -7.350 11.460 1.00 23.04 H new ATOM 0 HD2 PRO A 15 0.365 -6.465 10.842 1.00 44.15 H new ATOM 0 HD3 PRO A 15 -0.504 -7.565 9.790 1.00 44.15 H new ATOM 253 N MET A 16 -0.899 -3.113 10.637 1.00 53.12 N ATOM 254 CA MET A 16 -0.917 -1.855 11.344 1.00 44.11 C ATOM 255 C MET A 16 -0.441 -0.702 10.470 1.00 72.33 C ATOM 256 O MET A 16 -1.020 0.382 10.487 1.00 1.02 O ATOM 257 CB MET A 16 -0.113 -2.029 12.650 1.00 73.04 C ATOM 258 CG MET A 16 -0.183 -0.831 13.609 1.00 23.24 C ATOM 259 SD MET A 16 0.422 -1.197 15.288 1.00 54.51 S ATOM 260 CE MET A 16 2.018 -1.967 14.888 1.00 51.12 C ATOM 0 H MET A 16 -0.108 -3.713 10.870 1.00 53.12 H new ATOM 0 HA MET A 16 -1.939 -1.580 11.607 1.00 44.11 H new ATOM 0 HB2 MET A 16 -0.477 -2.915 13.170 1.00 73.04 H new ATOM 0 HB3 MET A 16 0.931 -2.214 12.397 1.00 73.04 H new ATOM 0 HG2 MET A 16 0.401 -0.010 13.193 1.00 23.24 H new ATOM 0 HG3 MET A 16 -1.216 -0.488 13.672 1.00 23.24 H new ATOM 0 HE1 MET A 16 2.669 -1.931 15.762 1.00 51.12 H new ATOM 0 HE2 MET A 16 1.858 -3.005 14.597 1.00 51.12 H new ATOM 0 HE3 MET A 16 2.486 -1.427 14.065 1.00 51.12 H new ATOM 270 N GLU A 17 0.611 -0.925 9.641 1.00 13.11 N ATOM 271 CA GLU A 17 1.078 0.031 8.644 1.00 51.21 C ATOM 272 C GLU A 17 0.076 0.201 7.513 1.00 63.15 C ATOM 273 O GLU A 17 -0.086 1.284 6.948 1.00 42.31 O ATOM 274 CB GLU A 17 2.473 -0.355 8.064 1.00 75.41 C ATOM 275 CG GLU A 17 2.536 -1.659 7.224 1.00 54.31 C ATOM 276 CD GLU A 17 3.956 -1.998 6.767 1.00 2.40 C ATOM 277 OE1 GLU A 17 4.804 -2.304 7.646 1.00 62.03 O ATOM 278 OE2 GLU A 17 4.194 -1.975 5.532 1.00 23.40 O ATOM 0 H GLU A 17 1.154 -1.788 9.659 1.00 13.11 H new ATOM 0 HA GLU A 17 1.180 0.984 9.164 1.00 51.21 H new ATOM 0 HB2 GLU A 17 2.824 0.469 7.442 1.00 75.41 H new ATOM 0 HB3 GLU A 17 3.174 -0.449 8.894 1.00 75.41 H new ATOM 0 HG2 GLU A 17 2.141 -2.486 7.814 1.00 54.31 H new ATOM 0 HG3 GLU A 17 1.892 -1.555 6.350 1.00 54.31 H new ATOM 285 N ALA A 18 -0.656 -0.884 7.171 1.00 4.13 N ATOM 286 CA ALA A 18 -1.735 -0.873 6.211 1.00 2.24 C ATOM 287 C ALA A 18 -2.876 0.024 6.654 1.00 44.53 C ATOM 288 O ALA A 18 -3.340 0.865 5.894 1.00 30.13 O ATOM 289 CB ALA A 18 -2.248 -2.303 5.979 1.00 12.55 C ATOM 0 H ALA A 18 -0.492 -1.805 7.577 1.00 4.13 H new ATOM 0 HA ALA A 18 -1.342 -0.471 5.277 1.00 2.24 H new ATOM 0 HB1 ALA A 18 -3.061 -2.285 5.254 1.00 12.55 H new ATOM 0 HB2 ALA A 18 -1.437 -2.923 5.598 1.00 12.55 H new ATOM 0 HB3 ALA A 18 -2.610 -2.717 6.920 1.00 12.55 H new ATOM 295 N CYS A 19 -3.287 -0.061 7.933 1.00 33.14 N ATOM 296 CA CYS A 19 -4.313 0.769 8.543 1.00 32.43 C ATOM 297 C CYS A 19 -3.924 2.224 8.761 1.00 31.42 C ATOM 298 O CYS A 19 -4.713 3.004 9.281 1.00 61.43 O ATOM 299 CB CYS A 19 -4.733 0.180 9.901 1.00 74.50 C ATOM 300 SG CYS A 19 -5.590 -1.405 9.684 1.00 11.32 S ATOM 0 H CYS A 19 -2.891 -0.739 8.585 1.00 33.14 H new ATOM 0 HA CYS A 19 -5.131 0.766 7.823 1.00 32.43 H new ATOM 0 HB2 CYS A 19 -3.853 0.039 10.528 1.00 74.50 H new ATOM 0 HB3 CYS A 19 -5.385 0.882 10.420 1.00 74.50 H new ATOM 305 N LYS A 20 -2.702 2.653 8.408 1.00 22.11 N ATOM 306 CA LYS A 20 -2.418 4.069 8.283 1.00 61.14 C ATOM 307 C LYS A 20 -2.668 4.535 6.844 1.00 51.44 C ATOM 308 O LYS A 20 -3.362 5.520 6.595 1.00 61.30 O ATOM 309 CB LYS A 20 -0.965 4.302 8.771 1.00 73.53 C ATOM 310 CG LYS A 20 -0.492 5.766 8.880 1.00 23.31 C ATOM 311 CD LYS A 20 0.072 6.405 7.603 1.00 62.12 C ATOM 312 CE LYS A 20 1.489 5.945 7.266 1.00 74.32 C ATOM 313 NZ LYS A 20 1.920 6.547 5.989 1.00 41.54 N ATOM 0 H LYS A 20 -1.912 2.039 8.209 1.00 22.11 H new ATOM 0 HA LYS A 20 -3.084 4.671 8.902 1.00 61.14 H new ATOM 0 HB2 LYS A 20 -0.858 3.837 9.751 1.00 73.53 H new ATOM 0 HB3 LYS A 20 -0.291 3.777 8.094 1.00 73.53 H new ATOM 0 HG2 LYS A 20 -1.333 6.371 9.221 1.00 23.31 H new ATOM 0 HG3 LYS A 20 0.274 5.820 9.654 1.00 23.31 H new ATOM 0 HD2 LYS A 20 -0.586 6.169 6.767 1.00 62.12 H new ATOM 0 HD3 LYS A 20 0.068 7.489 7.716 1.00 62.12 H new ATOM 0 HE2 LYS A 20 2.174 6.233 8.064 1.00 74.32 H new ATOM 0 HE3 LYS A 20 1.521 4.858 7.195 1.00 74.32 H new ATOM 0 HZ1 LYS A 20 2.885 6.231 5.764 1.00 41.54 H new ATOM 0 HZ2 LYS A 20 1.273 6.251 5.230 1.00 41.54 H new ATOM 0 HZ3 LYS A 20 1.906 7.584 6.072 1.00 41.54 H new ATOM 327 N GLN A 21 -2.144 3.806 5.831 1.00 33.03 N ATOM 328 CA GLN A 21 -2.236 4.215 4.433 1.00 15.41 C ATOM 329 C GLN A 21 -3.583 3.946 3.784 1.00 54.24 C ATOM 330 O GLN A 21 -4.078 4.756 3.005 1.00 61.14 O ATOM 331 CB GLN A 21 -1.135 3.543 3.587 1.00 24.50 C ATOM 332 CG GLN A 21 -1.316 2.023 3.427 1.00 30.41 C ATOM 333 CD GLN A 21 -0.033 1.310 3.041 1.00 53.34 C ATOM 334 OE1 GLN A 21 0.295 1.084 1.876 1.00 70.42 O ATOM 335 NE2 GLN A 21 0.682 0.868 4.108 1.00 24.33 N ATOM 0 H GLN A 21 -1.651 2.924 5.971 1.00 33.03 H new ATOM 0 HA GLN A 21 -2.103 5.297 4.455 1.00 15.41 H new ATOM 0 HB2 GLN A 21 -1.117 4.003 2.599 1.00 24.50 H new ATOM 0 HB3 GLN A 21 -0.166 3.738 4.047 1.00 24.50 H new ATOM 0 HG2 GLN A 21 -1.689 1.607 4.363 1.00 30.41 H new ATOM 0 HG3 GLN A 21 -2.074 1.831 2.668 1.00 30.41 H new ATOM 0 HE21 GLN A 21 0.369 1.081 5.055 1.00 24.33 H new ATOM 0 HE22 GLN A 21 1.532 0.323 3.962 1.00 24.33 H new ATOM 344 N GLU A 22 -4.224 2.807 4.143 1.00 62.03 N ATOM 345 CA GLU A 22 -5.508 2.309 3.650 1.00 64.12 C ATOM 346 C GLU A 22 -6.595 3.297 3.933 1.00 72.04 C ATOM 347 O GLU A 22 -7.516 3.512 3.150 1.00 1.42 O ATOM 348 CB GLU A 22 -5.875 0.952 4.277 1.00 31.35 C ATOM 349 CG GLU A 22 -7.140 0.303 3.669 1.00 70.01 C ATOM 350 CD GLU A 22 -6.995 -0.073 2.191 1.00 54.20 C ATOM 351 OE1 GLU A 22 -7.848 0.368 1.380 1.00 13.41 O ATOM 352 OE2 GLU A 22 -6.037 -0.826 1.872 1.00 45.43 O ATOM 0 H GLU A 22 -3.819 2.176 4.834 1.00 62.03 H new ATOM 0 HA GLU A 22 -5.407 2.171 2.573 1.00 64.12 H new ATOM 0 HB2 GLU A 22 -5.035 0.268 4.157 1.00 31.35 H new ATOM 0 HB3 GLU A 22 -6.027 1.087 5.348 1.00 31.35 H new ATOM 0 HG2 GLU A 22 -7.387 -0.593 4.239 1.00 70.01 H new ATOM 0 HG3 GLU A 22 -7.978 0.991 3.778 1.00 70.01 H new ATOM 359 N LEU A 23 -6.477 3.918 5.111 1.00 13.02 N ATOM 360 CA LEU A 23 -7.475 4.809 5.632 1.00 61.02 C ATOM 361 C LEU A 23 -7.213 6.215 5.114 1.00 33.12 C ATOM 362 O LEU A 23 -8.043 7.106 5.285 1.00 44.22 O ATOM 363 CB LEU A 23 -7.402 4.845 7.162 1.00 40.22 C ATOM 364 CG LEU A 23 -7.483 3.474 7.855 1.00 22.55 C ATOM 365 CD1 LEU A 23 -7.838 3.618 9.338 1.00 50.32 C ATOM 366 CD2 LEU A 23 -8.249 2.339 7.180 1.00 42.14 C ATOM 0 H LEU A 23 -5.670 3.803 5.724 1.00 13.02 H new ATOM 0 HA LEU A 23 -8.457 4.458 5.315 1.00 61.02 H new ATOM 0 HB2 LEU A 23 -6.469 5.327 7.454 1.00 40.22 H new ATOM 0 HB3 LEU A 23 -8.214 5.470 7.534 1.00 40.22 H new ATOM 0 HG LEU A 23 -6.461 3.111 7.742 1.00 22.55 H new ATOM 0 HD11 LEU A 23 -7.887 2.631 9.798 1.00 50.32 H new ATOM 0 HD12 LEU A 23 -7.075 4.214 9.839 1.00 50.32 H new ATOM 0 HD13 LEU A 23 -8.805 4.112 9.434 1.00 50.32 H new ATOM 0 HD21 LEU A 23 -8.204 1.447 7.805 1.00 42.14 H new ATOM 0 HD22 LEU A 23 -9.289 2.634 7.042 1.00 42.14 H new ATOM 0 HD23 LEU A 23 -7.801 2.125 6.210 1.00 42.14 H new ATOM 378 N ASN A 24 -6.031 6.420 4.473 1.00 73.24 N ATOM 379 CA ASN A 24 -5.508 7.688 3.989 1.00 55.31 C ATOM 380 C ASN A 24 -5.351 8.733 5.093 1.00 11.52 C ATOM 381 O ASN A 24 -5.731 9.894 4.956 1.00 73.44 O ATOM 382 CB ASN A 24 -6.392 8.187 2.807 1.00 24.32 C ATOM 383 CG ASN A 24 -5.759 9.284 1.947 1.00 50.44 C ATOM 384 OD1 ASN A 24 -6.359 10.328 1.683 1.00 72.23 O ATOM 385 ND2 ASN A 24 -4.521 9.022 1.450 1.00 73.45 N ATOM 0 H ASN A 24 -5.395 5.647 4.278 1.00 73.24 H new ATOM 0 HA ASN A 24 -4.494 7.525 3.624 1.00 55.31 H new ATOM 0 HB2 ASN A 24 -6.632 7.337 2.168 1.00 24.32 H new ATOM 0 HB3 ASN A 24 -7.334 8.559 3.209 1.00 24.32 H new ATOM 0 HD21 ASN A 24 -4.063 9.699 0.840 1.00 73.45 H new ATOM 0 HD22 ASN A 24 -4.051 8.149 1.687 1.00 73.45 H new ATOM 392 N VAL A 25 -4.758 8.316 6.229 1.00 55.53 N ATOM 393 CA VAL A 25 -4.596 9.135 7.418 1.00 44.31 C ATOM 394 C VAL A 25 -3.115 9.322 7.703 1.00 25.04 C ATOM 395 O VAL A 25 -2.297 8.539 7.221 1.00 45.10 O ATOM 396 CB VAL A 25 -5.311 8.555 8.641 1.00 51.15 C ATOM 397 CG1 VAL A 25 -6.830 8.538 8.380 1.00 20.23 C ATOM 398 CG2 VAL A 25 -4.797 7.139 8.969 1.00 74.20 C ATOM 0 H VAL A 25 -4.374 7.377 6.335 1.00 55.53 H new ATOM 0 HA VAL A 25 -5.062 10.100 7.220 1.00 44.31 H new ATOM 0 HB VAL A 25 -5.099 9.185 9.505 1.00 51.15 H new ATOM 0 HG11 VAL A 25 -7.344 8.126 9.248 1.00 20.23 H new ATOM 0 HG12 VAL A 25 -7.180 9.555 8.200 1.00 20.23 H new ATOM 0 HG13 VAL A 25 -7.042 7.922 7.506 1.00 20.23 H new ATOM 0 HG21 VAL A 25 -5.324 6.754 9.842 1.00 74.20 H new ATOM 0 HG22 VAL A 25 -4.975 6.481 8.118 1.00 74.20 H new ATOM 0 HG23 VAL A 25 -3.728 7.179 9.179 1.00 74.20 H new ATOM 408 N PRO A 26 -2.686 10.348 8.436 1.00 22.04 N ATOM 409 CA PRO A 26 -1.287 10.521 8.798 1.00 33.02 C ATOM 410 C PRO A 26 -0.819 9.565 9.881 1.00 75.13 C ATOM 411 O PRO A 26 -1.609 8.940 10.587 1.00 53.33 O ATOM 412 CB PRO A 26 -1.221 11.983 9.279 1.00 40.50 C ATOM 413 CG PRO A 26 -2.618 12.253 9.836 1.00 43.05 C ATOM 414 CD PRO A 26 -3.507 11.487 8.860 1.00 52.25 C ATOM 0 HA PRO A 26 -0.627 10.304 7.958 1.00 33.02 H new ATOM 0 HB2 PRO A 26 -0.454 12.118 10.042 1.00 40.50 H new ATOM 0 HB3 PRO A 26 -0.980 12.662 8.461 1.00 40.50 H new ATOM 0 HG2 PRO A 26 -2.727 11.889 10.858 1.00 43.05 H new ATOM 0 HG3 PRO A 26 -2.852 13.318 9.851 1.00 43.05 H new ATOM 0 HD2 PRO A 26 -4.429 11.156 9.338 1.00 52.25 H new ATOM 0 HD3 PRO A 26 -3.793 12.108 8.011 1.00 52.25 H new ATOM 422 N ASP A 27 0.520 9.492 10.041 1.00 33.11 N ATOM 423 CA ASP A 27 1.271 8.684 10.984 1.00 32.41 C ATOM 424 C ASP A 27 0.933 9.105 12.408 1.00 33.32 C ATOM 425 O ASP A 27 0.943 8.311 13.345 1.00 74.54 O ATOM 426 CB ASP A 27 2.788 8.826 10.669 1.00 60.03 C ATOM 427 CG ASP A 27 3.664 7.869 11.478 1.00 42.31 C ATOM 428 OD1 ASP A 27 4.499 8.373 12.271 1.00 13.43 O ATOM 429 OD2 ASP A 27 3.514 6.636 11.286 1.00 10.21 O ATOM 0 H ASP A 27 1.142 10.050 9.456 1.00 33.11 H new ATOM 0 HA ASP A 27 1.003 7.632 10.890 1.00 32.41 H new ATOM 0 HB2 ASP A 27 2.950 8.646 9.606 1.00 60.03 H new ATOM 0 HB3 ASP A 27 3.100 9.851 10.870 1.00 60.03 H new ATOM 434 N ALA A 28 0.574 10.396 12.552 1.00 64.22 N ATOM 435 CA ALA A 28 0.128 11.048 13.752 1.00 72.23 C ATOM 436 C ALA A 28 -1.098 10.407 14.367 1.00 61.53 C ATOM 437 O ALA A 28 -1.264 10.406 15.584 1.00 63.12 O ATOM 438 CB ALA A 28 -0.194 12.517 13.443 1.00 22.31 C ATOM 0 H ALA A 28 0.598 11.039 11.761 1.00 64.22 H new ATOM 0 HA ALA A 28 0.940 10.957 14.474 1.00 72.23 H new ATOM 0 HB1 ALA A 28 -0.533 13.014 14.352 1.00 22.31 H new ATOM 0 HB2 ALA A 28 0.701 13.015 13.069 1.00 22.31 H new ATOM 0 HB3 ALA A 28 -0.979 12.566 12.688 1.00 22.31 H new ATOM 444 N VAL A 29 -2.020 9.851 13.556 1.00 51.22 N ATOM 445 CA VAL A 29 -3.255 9.382 14.151 1.00 73.52 C ATOM 446 C VAL A 29 -3.246 7.883 14.374 1.00 53.03 C ATOM 447 O VAL A 29 -3.952 7.383 15.244 1.00 31.34 O ATOM 448 CB VAL A 29 -4.468 9.788 13.363 1.00 54.10 C ATOM 449 CG1 VAL A 29 -4.465 11.308 13.077 1.00 74.42 C ATOM 450 CG2 VAL A 29 -4.768 8.888 12.166 1.00 55.42 C ATOM 0 H VAL A 29 -1.931 9.726 12.548 1.00 51.22 H new ATOM 0 HA VAL A 29 -3.318 9.870 15.124 1.00 73.52 H new ATOM 0 HB VAL A 29 -5.339 9.613 13.994 1.00 54.10 H new ATOM 0 HG11 VAL A 29 -5.355 11.572 12.505 1.00 74.42 H new ATOM 0 HG12 VAL A 29 -4.463 11.856 14.019 1.00 74.42 H new ATOM 0 HG13 VAL A 29 -3.575 11.569 12.504 1.00 74.42 H new ATOM 0 HG21 VAL A 29 -5.658 9.251 11.652 1.00 55.42 H new ATOM 0 HG22 VAL A 29 -3.922 8.902 11.479 1.00 55.42 H new ATOM 0 HG23 VAL A 29 -4.938 7.868 12.511 1.00 55.42 H new ATOM 460 N MET A 30 -2.407 7.106 13.651 1.00 11.13 N ATOM 461 CA MET A 30 -2.162 5.720 14.038 1.00 71.43 C ATOM 462 C MET A 30 -1.414 5.617 15.362 1.00 45.01 C ATOM 463 O MET A 30 -1.646 4.706 16.153 1.00 32.14 O ATOM 464 CB MET A 30 -1.424 4.860 12.968 1.00 71.40 C ATOM 465 CG MET A 30 0.009 5.289 12.598 1.00 63.25 C ATOM 466 SD MET A 30 1.027 3.983 11.835 1.00 74.10 S ATOM 467 CE MET A 30 1.331 3.021 13.346 1.00 12.52 C ATOM 0 H MET A 30 -1.905 7.416 12.819 1.00 11.13 H new ATOM 0 HA MET A 30 -3.164 5.305 14.142 1.00 71.43 H new ATOM 0 HB2 MET A 30 -1.389 3.831 13.325 1.00 71.40 H new ATOM 0 HB3 MET A 30 -2.024 4.861 12.058 1.00 71.40 H new ATOM 0 HG2 MET A 30 -0.046 6.134 11.912 1.00 63.25 H new ATOM 0 HG3 MET A 30 0.511 5.642 13.499 1.00 63.25 H new ATOM 0 HE1 MET A 30 2.194 2.372 13.197 1.00 12.52 H new ATOM 0 HE2 MET A 30 1.527 3.700 14.176 1.00 12.52 H new ATOM 0 HE3 MET A 30 0.455 2.414 13.573 1.00 12.52 H new ATOM 477 N GLN A 31 -0.527 6.593 15.671 1.00 12.23 N ATOM 478 CA GLN A 31 0.185 6.644 16.932 1.00 32.50 C ATOM 479 C GLN A 31 -0.668 7.131 18.078 1.00 12.54 C ATOM 480 O GLN A 31 -0.358 6.902 19.245 1.00 13.00 O ATOM 481 CB GLN A 31 1.507 7.436 16.809 1.00 71.04 C ATOM 482 CG GLN A 31 1.501 8.956 16.565 1.00 13.53 C ATOM 483 CD GLN A 31 1.335 9.772 17.842 1.00 61.40 C ATOM 484 OE1 GLN A 31 2.218 9.837 18.701 1.00 13.32 O ATOM 485 NE2 GLN A 31 0.143 10.405 17.954 1.00 51.33 N ATOM 0 H GLN A 31 -0.298 7.360 15.039 1.00 12.23 H new ATOM 0 HA GLN A 31 0.444 5.614 17.177 1.00 32.50 H new ATOM 0 HB2 GLN A 31 2.070 7.262 17.726 1.00 71.04 H new ATOM 0 HB3 GLN A 31 2.075 6.984 15.996 1.00 71.04 H new ATOM 0 HG2 GLN A 31 2.433 9.242 16.078 1.00 13.53 H new ATOM 0 HG3 GLN A 31 0.693 9.203 15.877 1.00 13.53 H new ATOM 0 HE21 GLN A 31 -0.553 10.317 17.213 1.00 51.33 H new ATOM 0 HE22 GLN A 31 -0.059 10.969 18.779 1.00 51.33 H new ATOM 494 N ASP A 32 -1.831 7.744 17.774 1.00 71.14 N ATOM 495 CA ASP A 32 -2.847 8.024 18.775 1.00 31.01 C ATOM 496 C ASP A 32 -3.365 6.756 19.468 1.00 22.33 C ATOM 497 O ASP A 32 -3.590 6.754 20.673 1.00 1.32 O ATOM 498 CB ASP A 32 -4.048 8.784 18.172 1.00 64.15 C ATOM 499 CG ASP A 32 -3.801 10.253 17.855 1.00 21.30 C ATOM 500 OD1 ASP A 32 -2.812 10.836 18.363 1.00 53.43 O ATOM 501 OD2 ASP A 32 -4.667 10.818 17.130 1.00 3.11 O ATOM 0 H ASP A 32 -2.078 8.051 16.833 1.00 71.14 H new ATOM 0 HA ASP A 32 -2.353 8.648 19.520 1.00 31.01 H new ATOM 0 HB2 ASP A 32 -4.353 8.279 17.256 1.00 64.15 H new ATOM 0 HB3 ASP A 32 -4.885 8.716 18.867 1.00 64.15 H new ATOM 506 N PHE A 33 -3.518 5.641 18.723 1.00 33.12 N ATOM 507 CA PHE A 33 -3.771 4.302 19.253 1.00 4.24 C ATOM 508 C PHE A 33 -2.681 3.772 20.182 1.00 13.52 C ATOM 509 O PHE A 33 -2.969 3.149 21.196 1.00 74.03 O ATOM 510 CB PHE A 33 -4.122 3.357 18.071 1.00 22.41 C ATOM 511 CG PHE A 33 -4.129 1.873 18.341 1.00 13.14 C ATOM 512 CD1 PHE A 33 -3.136 1.073 17.746 1.00 61.43 C ATOM 513 CD2 PHE A 33 -5.078 1.265 19.173 1.00 62.33 C ATOM 514 CE1 PHE A 33 -3.125 -0.314 17.933 1.00 73.02 C ATOM 515 CE2 PHE A 33 -5.093 -0.128 19.332 1.00 5.42 C ATOM 516 CZ PHE A 33 -4.115 -0.918 18.717 1.00 63.24 C ATOM 0 H PHE A 33 -3.466 5.658 17.704 1.00 33.12 H new ATOM 0 HA PHE A 33 -4.630 4.353 19.922 1.00 4.24 H new ATOM 0 HB2 PHE A 33 -5.108 3.635 17.700 1.00 22.41 H new ATOM 0 HB3 PHE A 33 -3.413 3.549 17.266 1.00 22.41 H new ATOM 0 HD1 PHE A 33 -2.373 1.535 17.137 1.00 61.43 H new ATOM 0 HD2 PHE A 33 -5.802 1.873 19.695 1.00 62.33 H new ATOM 0 HE1 PHE A 33 -2.355 -0.916 17.474 1.00 73.02 H new ATOM 0 HE2 PHE A 33 -5.862 -0.593 19.931 1.00 5.42 H new ATOM 0 HZ PHE A 33 -4.124 -1.990 18.847 1.00 63.24 H new ATOM 526 N PHE A 34 -1.397 4.008 19.879 1.00 70.11 N ATOM 527 CA PHE A 34 -0.303 3.688 20.804 1.00 5.31 C ATOM 528 C PHE A 34 -0.361 4.473 22.118 1.00 1.41 C ATOM 529 O PHE A 34 -0.212 3.912 23.202 1.00 75.32 O ATOM 530 CB PHE A 34 1.093 3.938 20.169 1.00 64.13 C ATOM 531 CG PHE A 34 1.488 2.845 19.217 1.00 33.15 C ATOM 532 CD1 PHE A 34 2.327 1.815 19.677 1.00 32.42 C ATOM 533 CD2 PHE A 34 1.050 2.819 17.882 1.00 64.41 C ATOM 534 CE1 PHE A 34 2.770 0.811 18.809 1.00 42.15 C ATOM 535 CE2 PHE A 34 1.487 1.813 17.012 1.00 32.22 C ATOM 536 CZ PHE A 34 2.360 0.820 17.472 1.00 13.32 C ATOM 0 H PHE A 34 -1.091 4.421 18.998 1.00 70.11 H new ATOM 0 HA PHE A 34 -0.440 2.628 21.019 1.00 5.31 H new ATOM 0 HB2 PHE A 34 1.084 4.892 19.641 1.00 64.13 H new ATOM 0 HB3 PHE A 34 1.840 4.017 20.958 1.00 64.13 H new ATOM 0 HD1 PHE A 34 2.633 1.799 20.713 1.00 32.42 H new ATOM 0 HD2 PHE A 34 0.372 3.580 17.525 1.00 64.41 H new ATOM 0 HE1 PHE A 34 3.426 0.032 19.170 1.00 42.15 H new ATOM 0 HE2 PHE A 34 1.151 1.803 15.986 1.00 32.22 H new ATOM 0 HZ PHE A 34 2.717 0.060 16.793 1.00 13.32 H new ATOM 546 N ASN A 35 -0.627 5.795 22.036 1.00 31.44 N ATOM 547 CA ASN A 35 -0.834 6.716 23.141 1.00 44.41 C ATOM 548 C ASN A 35 -2.083 6.435 23.959 1.00 52.52 C ATOM 549 O ASN A 35 -2.143 6.762 25.139 1.00 15.13 O ATOM 550 CB ASN A 35 -0.857 8.166 22.606 1.00 74.21 C ATOM 551 CG ASN A 35 0.564 8.641 22.291 1.00 3.44 C ATOM 552 OD1 ASN A 35 1.300 9.043 23.194 1.00 55.33 O ATOM 553 ND2 ASN A 35 0.962 8.596 20.998 1.00 13.52 N ATOM 0 H ASN A 35 -0.705 6.263 21.133 1.00 31.44 H new ATOM 0 HA ASN A 35 0.002 6.572 23.825 1.00 44.41 H new ATOM 0 HB2 ASN A 35 -1.473 8.219 21.708 1.00 74.21 H new ATOM 0 HB3 ASN A 35 -1.313 8.826 23.344 1.00 74.21 H new ATOM 0 HD21 ASN A 35 1.901 8.902 20.743 1.00 13.52 H new ATOM 0 HD22 ASN A 35 0.323 8.257 20.279 1.00 13.52 H new ATOM 560 N PHE A 36 -3.101 5.789 23.358 1.00 61.21 N ATOM 561 CA PHE A 36 -4.381 5.431 23.946 1.00 73.01 C ATOM 562 C PHE A 36 -4.222 4.577 25.196 1.00 31.30 C ATOM 563 O PHE A 36 -4.922 4.765 26.187 1.00 64.43 O ATOM 564 CB PHE A 36 -5.216 4.691 22.860 1.00 34.54 C ATOM 565 CG PHE A 36 -6.593 4.313 23.295 1.00 72.33 C ATOM 566 CD1 PHE A 36 -6.833 3.078 23.917 1.00 42.01 C ATOM 567 CD2 PHE A 36 -7.658 5.198 23.090 1.00 21.11 C ATOM 568 CE1 PHE A 36 -8.116 2.747 24.359 1.00 71.12 C ATOM 569 CE2 PHE A 36 -8.937 4.883 23.553 1.00 1.31 C ATOM 570 CZ PHE A 36 -9.159 3.655 24.177 1.00 62.30 C ATOM 0 H PHE A 36 -3.034 5.489 22.385 1.00 61.21 H new ATOM 0 HA PHE A 36 -4.895 6.336 24.268 1.00 73.01 H new ATOM 0 HB2 PHE A 36 -5.288 5.327 21.978 1.00 34.54 H new ATOM 0 HB3 PHE A 36 -4.682 3.789 22.560 1.00 34.54 H new ATOM 0 HD1 PHE A 36 -6.021 2.379 24.055 1.00 42.01 H new ATOM 0 HD2 PHE A 36 -7.489 6.130 22.571 1.00 21.11 H new ATOM 0 HE1 PHE A 36 -8.299 1.796 24.838 1.00 71.12 H new ATOM 0 HE2 PHE A 36 -9.749 5.585 23.429 1.00 1.31 H new ATOM 0 HZ PHE A 36 -10.151 3.404 24.523 1.00 62.30 H new ATOM 580 N TRP A 37 -3.291 3.603 25.164 1.00 35.34 N ATOM 581 CA TRP A 37 -3.114 2.642 26.232 1.00 21.24 C ATOM 582 C TRP A 37 -2.312 3.221 27.392 1.00 72.21 C ATOM 583 O TRP A 37 -2.225 2.605 28.454 1.00 1.45 O ATOM 584 CB TRP A 37 -2.416 1.370 25.697 1.00 11.03 C ATOM 585 CG TRP A 37 -3.184 0.729 24.553 1.00 63.15 C ATOM 586 CD1 TRP A 37 -2.807 0.721 23.240 1.00 64.02 C ATOM 587 CD2 TRP A 37 -4.538 0.231 24.589 1.00 54.02 C ATOM 588 NE1 TRP A 37 -3.820 0.225 22.451 1.00 64.14 N ATOM 589 CE2 TRP A 37 -4.901 -0.057 23.255 1.00 3.22 C ATOM 590 CE3 TRP A 37 -5.446 0.050 25.634 1.00 42.23 C ATOM 591 CZ2 TRP A 37 -6.179 -0.499 22.947 1.00 35.24 C ATOM 592 CZ3 TRP A 37 -6.744 -0.381 25.313 1.00 74.54 C ATOM 593 CH2 TRP A 37 -7.113 -0.628 23.982 1.00 22.34 C ATOM 0 H TRP A 37 -2.645 3.474 24.385 1.00 35.34 H new ATOM 0 HA TRP A 37 -4.105 2.386 26.606 1.00 21.24 H new ATOM 0 HB2 TRP A 37 -1.411 1.624 25.360 1.00 11.03 H new ATOM 0 HB3 TRP A 37 -2.307 0.649 26.508 1.00 11.03 H new ATOM 0 HD1 TRP A 37 -1.849 1.057 22.873 1.00 64.02 H new ATOM 0 HE1 TRP A 37 -3.777 0.089 21.441 1.00 64.14 H new ATOM 0 HE3 TRP A 37 -5.159 0.236 26.658 1.00 42.23 H new ATOM 0 HZ2 TRP A 37 -6.448 -0.739 21.929 1.00 35.24 H new ATOM 0 HZ3 TRP A 37 -7.468 -0.524 26.102 1.00 74.54 H new ATOM 0 HH2 TRP A 37 -8.127 -0.920 23.754 1.00 22.34 H new ATOM 604 N LYS A 38 -1.713 4.426 27.216 1.00 23.21 N ATOM 605 CA LYS A 38 -0.957 5.120 28.252 1.00 4.41 C ATOM 606 C LYS A 38 -1.821 5.491 29.454 1.00 0.22 C ATOM 607 O LYS A 38 -2.903 6.066 29.323 1.00 65.43 O ATOM 608 CB LYS A 38 -0.314 6.425 27.709 1.00 42.52 C ATOM 609 CG LYS A 38 0.587 7.212 28.687 1.00 23.12 C ATOM 610 CD LYS A 38 1.849 6.468 29.169 1.00 75.45 C ATOM 611 CE LYS A 38 2.848 6.143 28.057 1.00 21.41 C ATOM 612 NZ LYS A 38 4.051 5.519 28.643 1.00 21.13 N ATOM 0 H LYS A 38 -1.751 4.937 26.334 1.00 23.21 H new ATOM 0 HA LYS A 38 -0.184 4.419 28.566 1.00 4.41 H new ATOM 0 HB2 LYS A 38 0.278 6.173 26.829 1.00 42.52 H new ATOM 0 HB3 LYS A 38 -1.114 7.086 27.376 1.00 42.52 H new ATOM 0 HG2 LYS A 38 0.895 8.139 28.204 1.00 23.12 H new ATOM 0 HG3 LYS A 38 -0.006 7.488 29.559 1.00 23.12 H new ATOM 0 HD2 LYS A 38 2.348 7.074 29.925 1.00 75.45 H new ATOM 0 HD3 LYS A 38 1.547 5.540 29.654 1.00 75.45 H new ATOM 0 HE2 LYS A 38 2.393 5.470 27.330 1.00 21.41 H new ATOM 0 HE3 LYS A 38 3.121 7.052 27.522 1.00 21.41 H new ATOM 0 HZ1 LYS A 38 4.730 5.298 27.887 1.00 21.13 H new ATOM 0 HZ2 LYS A 38 4.488 6.176 29.320 1.00 21.13 H new ATOM 0 HZ3 LYS A 38 3.783 4.643 29.135 1.00 21.13 H new ATOM 626 N GLU A 39 -1.349 5.190 30.688 1.00 24.44 N ATOM 627 CA GLU A 39 -2.066 5.529 31.900 1.00 3.31 C ATOM 628 C GLU A 39 -2.142 7.040 32.084 1.00 24.01 C ATOM 629 O GLU A 39 -1.138 7.747 32.025 1.00 74.22 O ATOM 630 CB GLU A 39 -1.404 4.911 33.167 1.00 73.31 C ATOM 631 CG GLU A 39 -1.425 3.357 33.243 1.00 1.44 C ATOM 632 CD GLU A 39 -0.322 2.638 32.452 1.00 41.43 C ATOM 633 OE1 GLU A 39 -0.277 1.385 32.557 1.00 12.02 O ATOM 634 OE2 GLU A 39 0.477 3.319 31.757 1.00 12.02 O ATOM 0 H GLU A 39 -0.465 4.708 30.850 1.00 24.44 H new ATOM 0 HA GLU A 39 -3.068 5.114 31.788 1.00 3.31 H new ATOM 0 HB2 GLU A 39 -0.368 5.246 33.214 1.00 73.31 H new ATOM 0 HB3 GLU A 39 -1.907 5.307 34.049 1.00 73.31 H new ATOM 0 HG2 GLU A 39 -1.348 3.061 34.289 1.00 1.44 H new ATOM 0 HG3 GLU A 39 -2.392 3.007 32.883 1.00 1.44 H new ATOM 641 N GLY A 40 -3.366 7.568 32.313 1.00 31.01 N ATOM 642 CA GLY A 40 -3.588 8.996 32.479 1.00 2.03 C ATOM 643 C GLY A 40 -3.927 9.729 31.207 1.00 1.03 C ATOM 644 O GLY A 40 -4.271 10.906 31.265 1.00 42.12 O ATOM 0 H GLY A 40 -4.215 7.007 32.385 1.00 31.01 H new ATOM 0 HA2 GLY A 40 -4.396 9.144 33.195 1.00 2.03 H new ATOM 0 HA3 GLY A 40 -2.693 9.442 32.912 1.00 2.03 H new ATOM 648 N TYR A 41 -3.855 9.080 30.021 1.00 43.03 N ATOM 649 CA TYR A 41 -4.176 9.722 28.757 1.00 41.40 C ATOM 650 C TYR A 41 -5.626 9.551 28.353 1.00 14.10 C ATOM 651 O TYR A 41 -6.226 8.488 28.497 1.00 64.02 O ATOM 652 CB TYR A 41 -3.269 9.241 27.590 1.00 74.24 C ATOM 653 CG TYR A 41 -1.880 9.850 27.574 1.00 35.10 C ATOM 654 CD1 TYR A 41 -1.183 9.768 26.359 1.00 14.35 C ATOM 655 CD2 TYR A 41 -1.266 10.524 28.652 1.00 60.42 C ATOM 656 CE1 TYR A 41 0.081 10.347 26.204 1.00 73.22 C ATOM 657 CE2 TYR A 41 0.008 11.094 28.505 1.00 14.43 C ATOM 658 CZ TYR A 41 0.681 11.008 27.281 1.00 32.42 C ATOM 659 OH TYR A 41 1.956 11.591 27.134 1.00 41.01 O ATOM 0 H TYR A 41 -3.573 8.104 29.930 1.00 43.03 H new ATOM 0 HA TYR A 41 -3.989 10.780 28.938 1.00 41.40 H new ATOM 0 HB2 TYR A 41 -3.175 8.156 27.645 1.00 74.24 H new ATOM 0 HB3 TYR A 41 -3.763 9.471 26.646 1.00 74.24 H new ATOM 0 HD1 TYR A 41 -1.632 9.247 25.526 1.00 14.35 H new ATOM 0 HD2 TYR A 41 -1.781 10.602 29.598 1.00 60.42 H new ATOM 0 HE1 TYR A 41 0.592 10.284 25.255 1.00 73.22 H new ATOM 0 HE2 TYR A 41 0.471 11.601 29.339 1.00 14.43 H new ATOM 0 HH TYR A 41 2.223 12.010 27.979 1.00 41.01 H new ATOM 669 N GLN A 42 -6.232 10.642 27.827 1.00 1.02 N ATOM 670 CA GLN A 42 -7.519 10.601 27.175 1.00 21.11 C ATOM 671 C GLN A 42 -7.311 10.953 25.718 1.00 55.34 C ATOM 672 O GLN A 42 -6.941 12.072 25.372 1.00 34.34 O ATOM 673 CB GLN A 42 -8.562 11.597 27.760 1.00 24.03 C ATOM 674 CG GLN A 42 -9.022 11.326 29.215 1.00 10.31 C ATOM 675 CD GLN A 42 -8.056 11.887 30.265 1.00 14.42 C ATOM 676 OE1 GLN A 42 -8.056 13.087 30.546 1.00 1.35 O ATOM 677 NE2 GLN A 42 -7.218 10.999 30.858 1.00 35.04 N ATOM 0 H GLN A 42 -5.819 11.574 27.855 1.00 1.02 H new ATOM 0 HA GLN A 42 -7.919 9.598 27.325 1.00 21.11 H new ATOM 0 HB2 GLN A 42 -8.140 12.601 27.715 1.00 24.03 H new ATOM 0 HB3 GLN A 42 -9.441 11.591 27.116 1.00 24.03 H new ATOM 0 HG2 GLN A 42 -10.008 11.765 29.366 1.00 10.31 H new ATOM 0 HG3 GLN A 42 -9.126 10.251 29.363 1.00 10.31 H new ATOM 0 HE21 GLN A 42 -7.251 10.014 30.596 1.00 35.04 H new ATOM 0 HE22 GLN A 42 -6.556 11.317 31.566 1.00 35.04 H new ATOM 686 N ILE A 43 -7.583 9.987 24.824 1.00 42.44 N ATOM 687 CA ILE A 43 -7.618 10.185 23.389 1.00 73.33 C ATOM 688 C ILE A 43 -9.057 10.412 22.966 1.00 74.41 C ATOM 689 O ILE A 43 -9.948 9.624 23.273 1.00 40.14 O ATOM 690 CB ILE A 43 -7.052 8.982 22.673 1.00 3.44 C ATOM 691 CG1 ILE A 43 -5.590 8.712 23.090 1.00 42.24 C ATOM 692 CG2 ILE A 43 -7.188 9.088 21.136 1.00 35.25 C ATOM 693 CD1 ILE A 43 -4.567 9.797 22.733 1.00 4.41 C ATOM 0 H ILE A 43 -7.788 9.027 25.100 1.00 42.44 H new ATOM 0 HA ILE A 43 -7.011 11.051 23.127 1.00 73.33 H new ATOM 0 HB ILE A 43 -7.652 8.126 22.982 1.00 3.44 H new ATOM 0 HG12 ILE A 43 -5.565 8.561 24.169 1.00 42.24 H new ATOM 0 HG13 ILE A 43 -5.271 7.777 22.630 1.00 42.24 H new ATOM 0 HG21 ILE A 43 -6.765 8.197 20.671 1.00 35.25 H new ATOM 0 HG22 ILE A 43 -8.241 9.172 20.869 1.00 35.25 H new ATOM 0 HG23 ILE A 43 -6.653 9.970 20.783 1.00 35.25 H new ATOM 0 HD11 ILE A 43 -3.579 9.492 23.077 1.00 4.41 H new ATOM 0 HD12 ILE A 43 -4.548 9.937 21.652 1.00 4.41 H new ATOM 0 HD13 ILE A 43 -4.847 10.734 23.216 1.00 4.41 H new ATOM 705 N THR A 44 -9.309 11.530 22.254 1.00 12.23 N ATOM 706 CA THR A 44 -10.643 11.974 21.861 1.00 44.31 C ATOM 707 C THR A 44 -10.798 12.039 20.355 1.00 45.51 C ATOM 708 O THR A 44 -11.841 12.440 19.846 1.00 71.35 O ATOM 709 CB THR A 44 -11.011 13.328 22.463 1.00 1.43 C ATOM 710 OG1 THR A 44 -10.091 14.351 22.093 1.00 70.24 O ATOM 711 CG2 THR A 44 -11.026 13.231 24.000 1.00 63.51 C ATOM 0 H THR A 44 -8.569 12.155 21.935 1.00 12.23 H new ATOM 0 HA THR A 44 -11.327 11.224 22.257 1.00 44.31 H new ATOM 0 HB THR A 44 -11.996 13.588 22.077 1.00 1.43 H new ATOM 0 HG1 THR A 44 -10.365 15.200 22.498 1.00 70.24 H new ATOM 0 HG21 THR A 44 -11.289 14.200 24.423 1.00 63.51 H new ATOM 0 HG22 THR A 44 -11.761 12.488 24.311 1.00 63.51 H new ATOM 0 HG23 THR A 44 -10.039 12.936 24.356 1.00 63.51 H new ATOM 719 N ASN A 45 -9.746 11.664 19.596 1.00 21.43 N ATOM 720 CA ASN A 45 -9.644 11.921 18.183 1.00 73.30 C ATOM 721 C ASN A 45 -10.342 10.854 17.372 1.00 21.13 C ATOM 722 O ASN A 45 -10.089 9.663 17.523 1.00 31.21 O ATOM 723 CB ASN A 45 -8.152 12.043 17.784 1.00 54.20 C ATOM 724 CG ASN A 45 -8.003 12.559 16.354 1.00 4.41 C ATOM 725 OD1 ASN A 45 -8.826 13.335 15.863 1.00 15.43 O ATOM 726 ND2 ASN A 45 -6.942 12.089 15.660 1.00 73.44 N ATOM 0 H ASN A 45 -8.940 11.166 19.975 1.00 21.43 H new ATOM 0 HA ASN A 45 -10.147 12.863 17.964 1.00 73.30 H new ATOM 0 HB2 ASN A 45 -7.643 12.718 18.472 1.00 54.20 H new ATOM 0 HB3 ASN A 45 -7.668 11.071 17.875 1.00 54.20 H new ATOM 0 HD21 ASN A 45 -6.799 12.375 14.692 1.00 73.44 H new ATOM 0 HD22 ASN A 45 -6.285 11.448 16.105 1.00 73.44 H new ATOM 733 N ARG A 46 -11.194 11.292 16.426 1.00 61.12 N ATOM 734 CA ARG A 46 -12.063 10.484 15.595 1.00 1.23 C ATOM 735 C ARG A 46 -11.313 9.474 14.749 1.00 23.01 C ATOM 736 O ARG A 46 -11.768 8.353 14.538 1.00 1.42 O ATOM 737 CB ARG A 46 -12.899 11.434 14.703 1.00 71.30 C ATOM 738 CG ARG A 46 -12.062 12.270 13.714 1.00 52.12 C ATOM 739 CD ARG A 46 -12.880 13.387 13.062 1.00 72.31 C ATOM 740 NE ARG A 46 -11.970 14.168 12.162 1.00 50.25 N ATOM 741 CZ ARG A 46 -12.399 15.271 11.478 1.00 4.54 C ATOM 742 NH1 ARG A 46 -13.694 15.681 11.584 1.00 12.14 N ATOM 743 NH2 ARG A 46 -11.517 15.955 10.694 1.00 74.42 N ATOM 0 H ARG A 46 -11.289 12.286 16.220 1.00 61.12 H new ATOM 0 HA ARG A 46 -12.709 9.896 16.247 1.00 1.23 H new ATOM 0 HB2 ARG A 46 -13.623 10.844 14.141 1.00 71.30 H new ATOM 0 HB3 ARG A 46 -13.467 12.109 15.343 1.00 71.30 H new ATOM 0 HG2 ARG A 46 -11.211 12.704 14.238 1.00 52.12 H new ATOM 0 HG3 ARG A 46 -11.660 11.617 12.939 1.00 52.12 H new ATOM 0 HD2 ARG A 46 -13.710 12.968 12.493 1.00 72.31 H new ATOM 0 HD3 ARG A 46 -13.311 14.037 13.823 1.00 72.31 H new ATOM 0 HE ARG A 46 -11.001 13.867 12.057 1.00 50.25 H new ATOM 0 HH11 ARG A 46 -14.346 15.165 12.175 1.00 12.14 H new ATOM 0 HH12 ARG A 46 -14.012 16.504 11.073 1.00 12.14 H new ATOM 0 HH21 ARG A 46 -10.549 15.642 10.623 1.00 74.42 H new ATOM 0 HH22 ARG A 46 -11.826 16.780 10.179 1.00 74.42 H new ATOM 757 N GLU A 47 -10.086 9.826 14.317 1.00 12.43 N ATOM 758 CA GLU A 47 -9.162 8.928 13.681 1.00 64.34 C ATOM 759 C GLU A 47 -8.675 7.785 14.509 1.00 34.13 C ATOM 760 O GLU A 47 -8.395 6.726 13.954 1.00 3.32 O ATOM 761 CB GLU A 47 -7.953 9.677 13.116 1.00 72.34 C ATOM 762 CG GLU A 47 -8.229 10.340 11.752 1.00 15.11 C ATOM 763 CD GLU A 47 -7.361 11.544 11.406 1.00 3.12 C ATOM 764 OE1 GLU A 47 -7.353 12.511 12.213 1.00 74.44 O ATOM 765 OE2 GLU A 47 -6.715 11.516 10.327 1.00 63.34 O ATOM 0 H GLU A 47 -9.721 10.774 14.414 1.00 12.43 H new ATOM 0 HA GLU A 47 -9.762 8.486 12.885 1.00 64.34 H new ATOM 0 HB2 GLU A 47 -7.643 10.442 13.828 1.00 72.34 H new ATOM 0 HB3 GLU A 47 -7.120 8.982 13.012 1.00 72.34 H new ATOM 0 HG2 GLU A 47 -8.101 9.589 10.973 1.00 15.11 H new ATOM 0 HG3 GLU A 47 -9.273 10.651 11.726 1.00 15.11 H new ATOM 772 N ALA A 48 -8.563 7.948 15.842 1.00 34.44 N ATOM 773 CA ALA A 48 -8.110 6.851 16.689 1.00 30.33 C ATOM 774 C ALA A 48 -9.021 5.635 16.562 1.00 11.10 C ATOM 775 O ALA A 48 -8.555 4.519 16.391 1.00 33.33 O ATOM 776 CB ALA A 48 -8.032 7.250 18.186 1.00 34.44 C ATOM 0 H ALA A 48 -8.777 8.813 16.338 1.00 34.44 H new ATOM 0 HA ALA A 48 -7.108 6.603 16.338 1.00 30.33 H new ATOM 0 HB1 ALA A 48 -7.690 6.397 18.772 1.00 34.44 H new ATOM 0 HB2 ALA A 48 -7.333 8.077 18.306 1.00 34.44 H new ATOM 0 HB3 ALA A 48 -9.019 7.556 18.533 1.00 34.44 H new ATOM 782 N GLY A 49 -10.356 5.824 16.531 1.00 34.44 N ATOM 783 CA GLY A 49 -11.306 4.735 16.319 1.00 30.21 C ATOM 784 C GLY A 49 -11.192 4.122 14.970 1.00 5.30 C ATOM 785 O GLY A 49 -11.316 2.909 14.841 1.00 71.25 O ATOM 0 H GLY A 49 -10.796 6.736 16.653 1.00 34.44 H new ATOM 0 HA2 GLY A 49 -11.146 3.967 17.076 1.00 30.21 H new ATOM 0 HA3 GLY A 49 -12.319 5.112 16.457 1.00 30.21 H new ATOM 789 N CYS A 50 -10.947 4.959 13.932 1.00 61.13 N ATOM 790 CA CYS A 50 -10.838 4.533 12.552 1.00 22.13 C ATOM 791 C CYS A 50 -9.662 3.597 12.361 1.00 33.31 C ATOM 792 O CYS A 50 -9.777 2.600 11.653 1.00 50.21 O ATOM 793 CB CYS A 50 -10.696 5.732 11.578 1.00 64.34 C ATOM 794 SG CYS A 50 -12.168 6.812 11.456 1.00 14.53 S ATOM 0 H CYS A 50 -10.820 5.964 14.054 1.00 61.13 H new ATOM 0 HA CYS A 50 -11.764 4.008 12.320 1.00 22.13 H new ATOM 0 HB2 CYS A 50 -9.846 6.337 11.893 1.00 64.34 H new ATOM 0 HB3 CYS A 50 -10.463 5.348 10.585 1.00 64.34 H new ATOM 799 N VAL A 51 -8.501 3.869 13.011 1.00 32.22 N ATOM 800 CA VAL A 51 -7.411 2.900 13.022 1.00 72.14 C ATOM 801 C VAL A 51 -7.755 1.673 13.822 1.00 23.44 C ATOM 802 O VAL A 51 -7.546 0.563 13.356 1.00 23.03 O ATOM 803 CB VAL A 51 -6.043 3.494 13.419 1.00 22.34 C ATOM 804 CG1 VAL A 51 -6.034 4.326 14.714 1.00 75.24 C ATOM 805 CG2 VAL A 51 -5.010 2.373 13.682 1.00 61.02 C ATOM 0 H VAL A 51 -8.312 4.734 13.518 1.00 32.22 H new ATOM 0 HA VAL A 51 -7.292 2.589 11.984 1.00 72.14 H new ATOM 0 HB VAL A 51 -5.804 4.135 12.570 1.00 22.34 H new ATOM 0 HG11 VAL A 51 -5.026 4.696 14.902 1.00 75.24 H new ATOM 0 HG12 VAL A 51 -6.717 5.169 14.610 1.00 75.24 H new ATOM 0 HG13 VAL A 51 -6.353 3.702 15.549 1.00 75.24 H new ATOM 0 HG21 VAL A 51 -4.054 2.817 13.960 1.00 61.02 H new ATOM 0 HG22 VAL A 51 -5.363 1.735 14.492 1.00 61.02 H new ATOM 0 HG23 VAL A 51 -4.884 1.776 12.779 1.00 61.02 H new ATOM 815 N ILE A 52 -8.378 1.819 15.003 1.00 63.51 N ATOM 816 CA ILE A 52 -8.639 0.716 15.923 1.00 72.43 C ATOM 817 C ILE A 52 -9.515 -0.351 15.292 1.00 40.31 C ATOM 818 O ILE A 52 -9.225 -1.546 15.359 1.00 43.15 O ATOM 819 CB ILE A 52 -9.264 1.244 17.218 1.00 12.05 C ATOM 820 CG1 ILE A 52 -8.233 2.041 18.041 1.00 71.03 C ATOM 821 CG2 ILE A 52 -9.907 0.092 18.020 1.00 64.54 C ATOM 822 CD1 ILE A 52 -8.762 3.057 19.078 1.00 30.04 C ATOM 0 H ILE A 52 -8.716 2.719 15.343 1.00 63.51 H new ATOM 0 HA ILE A 52 -7.685 0.246 16.160 1.00 72.43 H new ATOM 0 HB ILE A 52 -10.065 1.939 16.966 1.00 12.05 H new ATOM 0 HG12 ILE A 52 -7.601 1.326 18.567 1.00 71.03 H new ATOM 0 HG13 ILE A 52 -7.592 2.580 17.343 1.00 71.03 H new ATOM 0 HG21 ILE A 52 -10.346 0.487 18.936 1.00 64.54 H new ATOM 0 HG22 ILE A 52 -10.685 -0.380 17.419 1.00 64.54 H new ATOM 0 HG23 ILE A 52 -9.145 -0.646 18.271 1.00 64.54 H new ATOM 0 HD11 ILE A 52 -7.921 3.539 19.577 1.00 30.04 H new ATOM 0 HD12 ILE A 52 -9.365 3.812 18.573 1.00 30.04 H new ATOM 0 HD13 ILE A 52 -9.373 2.538 19.816 1.00 30.04 H new ATOM 834 N LEU A 53 -10.597 0.075 14.617 1.00 44.31 N ATOM 835 CA LEU A 53 -11.515 -0.807 13.939 1.00 22.12 C ATOM 836 C LEU A 53 -10.943 -1.507 12.728 1.00 13.13 C ATOM 837 O LEU A 53 -11.334 -2.621 12.384 1.00 21.30 O ATOM 838 CB LEU A 53 -12.826 -0.037 13.646 1.00 54.42 C ATOM 839 CG LEU A 53 -12.826 1.136 12.638 1.00 62.24 C ATOM 840 CD1 LEU A 53 -12.568 0.737 11.179 1.00 11.34 C ATOM 841 CD2 LEU A 53 -14.181 1.856 12.731 1.00 30.21 C ATOM 0 H LEU A 53 -10.847 1.061 14.536 1.00 44.31 H new ATOM 0 HA LEU A 53 -11.732 -1.639 14.609 1.00 22.12 H new ATOM 0 HB2 LEU A 53 -13.558 -0.765 13.296 1.00 54.42 H new ATOM 0 HB3 LEU A 53 -13.192 0.352 14.596 1.00 54.42 H new ATOM 0 HG LEU A 53 -11.992 1.779 12.917 1.00 62.24 H new ATOM 0 HD11 LEU A 53 -12.587 1.627 10.550 1.00 11.34 H new ATOM 0 HD12 LEU A 53 -11.592 0.258 11.100 1.00 11.34 H new ATOM 0 HD13 LEU A 53 -13.341 0.043 10.850 1.00 11.34 H new ATOM 0 HD21 LEU A 53 -14.200 2.688 12.027 1.00 30.21 H new ATOM 0 HD22 LEU A 53 -14.982 1.157 12.489 1.00 30.21 H new ATOM 0 HD23 LEU A 53 -14.323 2.235 13.743 1.00 30.21 H new ATOM 853 N CYS A 54 -9.959 -0.859 12.080 1.00 1.32 N ATOM 854 CA CYS A 54 -9.199 -1.382 10.963 1.00 35.14 C ATOM 855 C CYS A 54 -8.405 -2.616 11.346 1.00 21.14 C ATOM 856 O CYS A 54 -8.418 -3.586 10.588 1.00 74.30 O ATOM 857 CB CYS A 54 -8.291 -0.293 10.326 1.00 41.03 C ATOM 858 SG CYS A 54 -7.353 -0.839 8.862 1.00 12.32 S ATOM 0 H CYS A 54 -9.670 0.083 12.342 1.00 1.32 H new ATOM 0 HA CYS A 54 -9.920 -1.688 10.205 1.00 35.14 H new ATOM 0 HB2 CYS A 54 -8.911 0.558 10.046 1.00 41.03 H new ATOM 0 HB3 CYS A 54 -7.587 0.060 11.080 1.00 41.03 H new ATOM 863 N LEU A 55 -7.733 -2.677 12.535 1.00 3.44 N ATOM 864 CA LEU A 55 -7.048 -3.874 12.937 1.00 4.25 C ATOM 865 C LEU A 55 -7.948 -5.057 13.079 1.00 73.50 C ATOM 866 O LEU A 55 -7.585 -6.148 12.674 1.00 64.24 O ATOM 867 CB LEU A 55 -6.360 -3.567 14.242 1.00 54.43 C ATOM 868 CG LEU A 55 -5.118 -2.675 14.060 1.00 72.11 C ATOM 869 CD1 LEU A 55 -3.980 -3.436 13.368 1.00 40.55 C ATOM 870 CD2 LEU A 55 -5.243 -1.256 13.508 1.00 45.41 C ATOM 0 H LEU A 55 -7.671 -1.906 13.200 1.00 3.44 H new ATOM 0 HA LEU A 55 -6.337 -4.153 12.159 1.00 4.25 H new ATOM 0 HB2 LEU A 55 -7.063 -3.072 14.912 1.00 54.43 H new ATOM 0 HB3 LEU A 55 -6.066 -4.500 14.722 1.00 54.43 H new ATOM 0 HG LEU A 55 -4.898 -2.455 15.104 1.00 72.11 H new ATOM 0 HD11 LEU A 55 -3.118 -2.778 13.255 1.00 40.55 H new ATOM 0 HD12 LEU A 55 -3.700 -4.300 13.971 1.00 40.55 H new ATOM 0 HD13 LEU A 55 -4.312 -3.772 12.385 1.00 40.55 H new ATOM 0 HD21 LEU A 55 -4.256 -0.797 13.458 1.00 45.41 H new ATOM 0 HD22 LEU A 55 -5.678 -1.291 12.509 1.00 45.41 H new ATOM 0 HD23 LEU A 55 -5.885 -0.666 14.163 1.00 45.41 H new ATOM 882 N ALA A 56 -9.161 -4.850 13.598 1.00 73.42 N ATOM 883 CA ALA A 56 -10.127 -5.859 13.933 1.00 74.11 C ATOM 884 C ALA A 56 -10.535 -6.763 12.792 1.00 55.21 C ATOM 885 O ALA A 56 -10.735 -7.963 12.960 1.00 32.34 O ATOM 886 CB ALA A 56 -11.323 -5.108 14.520 1.00 53.20 C ATOM 0 H ALA A 56 -9.500 -3.910 13.802 1.00 73.42 H new ATOM 0 HA ALA A 56 -9.682 -6.558 14.642 1.00 74.11 H new ATOM 0 HB1 ALA A 56 -12.100 -5.821 14.798 1.00 53.20 H new ATOM 0 HB2 ALA A 56 -11.007 -4.554 15.403 1.00 53.20 H new ATOM 0 HB3 ALA A 56 -11.717 -4.414 13.778 1.00 53.20 H new ATOM 892 N LYS A 57 -10.640 -6.194 11.581 1.00 73.41 N ATOM 893 CA LYS A 57 -10.773 -6.972 10.362 1.00 14.23 C ATOM 894 C LYS A 57 -9.505 -7.742 9.996 1.00 33.45 C ATOM 895 O LYS A 57 -9.550 -8.890 9.557 1.00 33.44 O ATOM 896 CB LYS A 57 -11.181 -6.060 9.179 1.00 42.35 C ATOM 897 CG LYS A 57 -12.601 -5.487 9.322 1.00 2.51 C ATOM 898 CD LYS A 57 -12.996 -4.583 8.142 1.00 61.23 C ATOM 899 CE LYS A 57 -14.435 -4.077 8.237 1.00 55.40 C ATOM 900 NZ LYS A 57 -14.734 -3.212 7.079 1.00 50.21 N ATOM 0 H LYS A 57 -10.634 -5.185 11.431 1.00 73.41 H new ATOM 0 HA LYS A 57 -11.553 -7.708 10.557 1.00 14.23 H new ATOM 0 HB2 LYS A 57 -10.470 -5.238 9.100 1.00 42.35 H new ATOM 0 HB3 LYS A 57 -11.116 -6.628 8.251 1.00 42.35 H new ATOM 0 HG2 LYS A 57 -13.314 -6.308 9.400 1.00 2.51 H new ATOM 0 HG3 LYS A 57 -12.667 -4.918 10.249 1.00 2.51 H new ATOM 0 HD2 LYS A 57 -12.318 -3.730 8.101 1.00 61.23 H new ATOM 0 HD3 LYS A 57 -12.871 -5.135 7.210 1.00 61.23 H new ATOM 0 HE2 LYS A 57 -15.126 -4.919 8.262 1.00 55.40 H new ATOM 0 HE3 LYS A 57 -14.575 -3.522 9.164 1.00 55.40 H new ATOM 0 HZ1 LYS A 57 -15.714 -2.869 7.146 1.00 50.21 H new ATOM 0 HZ2 LYS A 57 -14.083 -2.401 7.074 1.00 50.21 H new ATOM 0 HZ3 LYS A 57 -14.617 -3.756 6.200 1.00 50.21 H new ATOM 914 N LYS A 58 -8.323 -7.117 10.171 1.00 34.24 N ATOM 915 CA LYS A 58 -7.047 -7.561 9.657 1.00 34.33 C ATOM 916 C LYS A 58 -6.225 -8.316 10.703 1.00 14.44 C ATOM 917 O LYS A 58 -5.005 -8.208 10.783 1.00 43.13 O ATOM 918 CB LYS A 58 -6.274 -6.335 9.121 1.00 20.54 C ATOM 919 CG LYS A 58 -6.942 -5.660 7.910 1.00 13.14 C ATOM 920 CD LYS A 58 -6.088 -4.518 7.333 1.00 12.43 C ATOM 921 CE LYS A 58 -6.720 -3.790 6.143 1.00 34.42 C ATOM 922 NZ LYS A 58 -6.843 -4.697 4.984 1.00 12.41 N ATOM 0 H LYS A 58 -8.248 -6.250 10.702 1.00 34.24 H new ATOM 0 HA LYS A 58 -7.228 -8.269 8.849 1.00 34.33 H new ATOM 0 HB2 LYS A 58 -6.172 -5.603 9.922 1.00 20.54 H new ATOM 0 HB3 LYS A 58 -5.267 -6.646 8.842 1.00 20.54 H new ATOM 0 HG2 LYS A 58 -7.120 -6.405 7.134 1.00 13.14 H new ATOM 0 HG3 LYS A 58 -7.915 -5.269 8.206 1.00 13.14 H new ATOM 0 HD2 LYS A 58 -5.892 -3.793 8.123 1.00 12.43 H new ATOM 0 HD3 LYS A 58 -5.124 -4.922 7.025 1.00 12.43 H new ATOM 0 HE2 LYS A 58 -7.704 -3.412 6.422 1.00 34.42 H new ATOM 0 HE3 LYS A 58 -6.112 -2.927 5.873 1.00 34.42 H new ATOM 0 HZ1 LYS A 58 -7.210 -4.169 4.167 1.00 12.41 H new ATOM 0 HZ2 LYS A 58 -5.909 -5.090 4.750 1.00 12.41 H new ATOM 0 HZ3 LYS A 58 -7.496 -5.472 5.217 1.00 12.41 H new ATOM 936 N LEU A 59 -6.895 -9.146 11.527 1.00 41.44 N ATOM 937 CA LEU A 59 -6.288 -9.930 12.606 1.00 73.21 C ATOM 938 C LEU A 59 -5.626 -11.158 12.077 1.00 42.44 C ATOM 939 O LEU A 59 -4.657 -11.678 12.603 1.00 73.13 O ATOM 940 CB LEU A 59 -7.268 -10.441 13.682 1.00 43.25 C ATOM 941 CG LEU A 59 -7.970 -9.310 14.439 1.00 54.23 C ATOM 942 CD1 LEU A 59 -8.972 -9.864 15.469 1.00 74.25 C ATOM 943 CD2 LEU A 59 -7.103 -8.151 14.922 1.00 32.22 C ATOM 0 H LEU A 59 -7.902 -9.289 11.453 1.00 41.44 H new ATOM 0 HA LEU A 59 -5.594 -9.221 13.057 1.00 73.21 H new ATOM 0 HB2 LEU A 59 -8.018 -11.075 13.210 1.00 43.25 H new ATOM 0 HB3 LEU A 59 -6.725 -11.064 14.393 1.00 43.25 H new ATOM 0 HG LEU A 59 -8.551 -8.786 13.680 1.00 54.23 H new ATOM 0 HD11 LEU A 59 -9.454 -9.036 15.990 1.00 74.25 H new ATOM 0 HD12 LEU A 59 -9.728 -10.460 14.957 1.00 74.25 H new ATOM 0 HD13 LEU A 59 -8.445 -10.489 16.190 1.00 74.25 H new ATOM 0 HD21 LEU A 59 -7.726 -7.422 15.441 1.00 32.22 H new ATOM 0 HD22 LEU A 59 -6.340 -8.527 15.603 1.00 32.22 H new ATOM 0 HD23 LEU A 59 -6.623 -7.675 14.067 1.00 32.22 H new ATOM 955 N GLU A 60 -6.169 -11.650 10.970 1.00 15.12 N ATOM 956 CA GLU A 60 -5.709 -12.837 10.265 1.00 61.13 C ATOM 957 C GLU A 60 -4.324 -12.643 9.672 1.00 45.51 C ATOM 958 O GLU A 60 -3.631 -13.585 9.300 1.00 30.21 O ATOM 959 CB GLU A 60 -6.720 -13.240 9.168 1.00 41.32 C ATOM 960 CG GLU A 60 -8.083 -13.525 9.835 1.00 73.24 C ATOM 961 CD GLU A 60 -8.991 -14.466 9.050 1.00 24.00 C ATOM 962 OE1 GLU A 60 -9.335 -15.530 9.637 1.00 42.20 O ATOM 963 OE2 GLU A 60 -9.360 -14.133 7.896 1.00 44.13 O ATOM 0 H GLU A 60 -6.975 -11.214 10.522 1.00 15.12 H new ATOM 0 HA GLU A 60 -5.640 -13.645 10.994 1.00 61.13 H new ATOM 0 HB2 GLU A 60 -6.818 -12.442 8.432 1.00 41.32 H new ATOM 0 HB3 GLU A 60 -6.368 -14.123 8.635 1.00 41.32 H new ATOM 0 HG2 GLU A 60 -7.907 -13.951 10.823 1.00 73.24 H new ATOM 0 HG3 GLU A 60 -8.604 -12.579 9.984 1.00 73.24 H new ATOM 970 N LEU A 61 -3.927 -11.361 9.580 1.00 13.53 N ATOM 971 CA LEU A 61 -2.645 -10.880 9.111 1.00 30.50 C ATOM 972 C LEU A 61 -1.570 -11.059 10.186 1.00 71.12 C ATOM 973 O LEU A 61 -0.378 -11.127 9.893 1.00 33.22 O ATOM 974 CB LEU A 61 -2.649 -9.378 8.754 1.00 62.01 C ATOM 975 CG LEU A 61 -3.652 -8.859 7.701 1.00 31.33 C ATOM 976 CD1 LEU A 61 -3.014 -7.768 6.833 1.00 43.54 C ATOM 977 CD2 LEU A 61 -4.597 -9.839 6.979 1.00 53.01 C ATOM 0 H LEU A 61 -4.544 -10.596 9.852 1.00 13.53 H new ATOM 0 HA LEU A 61 -2.436 -11.468 8.218 1.00 30.50 H new ATOM 0 HB2 LEU A 61 -2.823 -8.822 9.675 1.00 62.01 H new ATOM 0 HB3 LEU A 61 -1.648 -9.120 8.409 1.00 62.01 H new ATOM 0 HG LEU A 61 -4.435 -8.408 8.311 1.00 31.33 H new ATOM 0 HD11 LEU A 61 -3.739 -7.417 6.098 1.00 43.54 H new ATOM 0 HD12 LEU A 61 -2.705 -6.935 7.464 1.00 43.54 H new ATOM 0 HD13 LEU A 61 -2.144 -8.175 6.318 1.00 43.54 H new ATOM 0 HD21 LEU A 61 -5.225 -9.289 6.278 1.00 53.01 H new ATOM 0 HD22 LEU A 61 -4.009 -10.578 6.436 1.00 53.01 H new ATOM 0 HD23 LEU A 61 -5.227 -10.344 7.712 1.00 53.01 H new ATOM 989 N LEU A 62 -2.002 -11.088 11.467 1.00 1.31 N ATOM 990 CA LEU A 62 -1.208 -11.188 12.683 1.00 24.43 C ATOM 991 C LEU A 62 -0.531 -12.541 12.779 1.00 44.13 C ATOM 992 O LEU A 62 -0.854 -13.503 12.086 1.00 65.41 O ATOM 993 CB LEU A 62 -2.063 -10.989 13.974 1.00 44.30 C ATOM 994 CG LEU A 62 -2.775 -9.619 14.040 1.00 41.43 C ATOM 995 CD1 LEU A 62 -3.837 -9.512 15.155 1.00 72.12 C ATOM 996 CD2 LEU A 62 -1.785 -8.449 14.158 1.00 42.02 C ATOM 0 H LEU A 62 -2.998 -11.037 11.679 1.00 1.31 H new ATOM 0 HA LEU A 62 -0.468 -10.391 12.620 1.00 24.43 H new ATOM 0 HB2 LEU A 62 -2.810 -11.780 14.030 1.00 44.30 H new ATOM 0 HB3 LEU A 62 -1.419 -11.097 14.847 1.00 44.30 H new ATOM 0 HG LEU A 62 -3.300 -9.548 13.087 1.00 41.43 H new ATOM 0 HD11 LEU A 62 -4.289 -8.520 15.133 1.00 72.12 H new ATOM 0 HD12 LEU A 62 -4.608 -10.266 14.997 1.00 72.12 H new ATOM 0 HD13 LEU A 62 -3.365 -9.674 16.124 1.00 72.12 H new ATOM 0 HD21 LEU A 62 -2.336 -7.509 14.201 1.00 42.02 H new ATOM 0 HD22 LEU A 62 -1.192 -8.564 15.066 1.00 42.02 H new ATOM 0 HD23 LEU A 62 -1.124 -8.443 13.291 1.00 42.02 H new ATOM 1008 N ASP A 63 0.497 -12.627 13.644 1.00 41.53 N ATOM 1009 CA ASP A 63 1.319 -13.813 13.768 1.00 2.35 C ATOM 1010 C ASP A 63 0.517 -14.985 14.334 1.00 13.25 C ATOM 1011 O ASP A 63 0.020 -14.922 15.455 1.00 64.22 O ATOM 1012 CB ASP A 63 2.525 -13.511 14.691 1.00 1.10 C ATOM 1013 CG ASP A 63 3.462 -12.502 14.042 1.00 33.23 C ATOM 1014 OD1 ASP A 63 4.082 -12.862 13.011 1.00 24.12 O ATOM 1015 OD2 ASP A 63 3.560 -11.362 14.569 1.00 24.14 O ATOM 0 H ASP A 63 0.769 -11.869 14.270 1.00 41.53 H new ATOM 0 HA ASP A 63 1.672 -14.092 12.775 1.00 2.35 H new ATOM 0 HB2 ASP A 63 2.170 -13.123 15.646 1.00 1.10 H new ATOM 0 HB3 ASP A 63 3.066 -14.433 14.903 1.00 1.10 H new ATOM 1020 N GLN A 64 0.418 -16.115 13.590 1.00 12.13 N ATOM 1021 CA GLN A 64 -0.471 -17.234 13.877 1.00 30.53 C ATOM 1022 C GLN A 64 -0.206 -17.901 15.222 1.00 3.40 C ATOM 1023 O GLN A 64 -1.106 -18.449 15.858 1.00 3.44 O ATOM 1024 CB GLN A 64 -0.434 -18.253 12.708 1.00 12.31 C ATOM 1025 CG GLN A 64 -1.377 -19.471 12.867 1.00 53.11 C ATOM 1026 CD GLN A 64 -2.859 -19.087 13.005 1.00 20.52 C ATOM 1027 OE1 GLN A 64 -3.509 -18.582 12.085 1.00 25.10 O ATOM 1028 NE2 GLN A 64 -3.429 -19.340 14.212 1.00 50.22 N ATOM 0 H GLN A 64 0.979 -16.262 12.751 1.00 12.13 H new ATOM 0 HA GLN A 64 -1.478 -16.826 13.962 1.00 30.53 H new ATOM 0 HB2 GLN A 64 -0.691 -17.733 11.785 1.00 12.31 H new ATOM 0 HB3 GLN A 64 0.587 -18.616 12.596 1.00 12.31 H new ATOM 0 HG2 GLN A 64 -1.259 -20.127 12.004 1.00 53.11 H new ATOM 0 HG3 GLN A 64 -1.075 -20.042 13.745 1.00 53.11 H new ATOM 0 HE21 GLN A 64 -2.875 -19.758 14.960 1.00 50.22 H new ATOM 0 HE22 GLN A 64 -4.411 -19.112 14.370 1.00 50.22 H new ATOM 1037 N ASP A 65 1.039 -17.785 15.721 1.00 34.23 N ATOM 1038 CA ASP A 65 1.491 -18.220 17.029 1.00 33.43 C ATOM 1039 C ASP A 65 0.674 -17.627 18.178 1.00 2.01 C ATOM 1040 O ASP A 65 0.483 -18.297 19.188 1.00 52.13 O ATOM 1041 CB ASP A 65 2.973 -17.821 17.263 1.00 51.30 C ATOM 1042 CG ASP A 65 3.910 -18.604 16.353 1.00 3.54 C ATOM 1043 OD1 ASP A 65 3.886 -18.324 15.125 1.00 11.02 O ATOM 1044 OD2 ASP A 65 4.662 -19.465 16.874 1.00 73.10 O ATOM 0 H ASP A 65 1.790 -17.358 15.179 1.00 34.23 H new ATOM 0 HA ASP A 65 1.366 -19.303 17.029 1.00 33.43 H new ATOM 0 HB2 ASP A 65 3.097 -16.753 17.083 1.00 51.30 H new ATOM 0 HB3 ASP A 65 3.240 -18.001 18.304 1.00 51.30 H new ATOM 1049 N MET A 66 0.167 -16.369 18.071 1.00 41.54 N ATOM 1050 CA MET A 66 -0.637 -15.790 19.143 1.00 62.32 C ATOM 1051 C MET A 66 -2.078 -16.282 19.100 1.00 43.01 C ATOM 1052 O MET A 66 -2.835 -16.065 20.044 1.00 23.14 O ATOM 1053 CB MET A 66 -0.621 -14.236 19.127 1.00 51.41 C ATOM 1054 CG MET A 66 -1.461 -13.520 18.048 1.00 74.01 C ATOM 1055 SD MET A 66 -1.193 -11.721 17.959 1.00 10.35 S ATOM 1056 CE MET A 66 -2.242 -11.260 19.367 1.00 21.11 C ATOM 0 H MET A 66 0.306 -15.760 17.265 1.00 41.54 H new ATOM 0 HA MET A 66 -0.175 -16.127 20.071 1.00 62.32 H new ATOM 0 HB2 MET A 66 -0.961 -13.887 20.102 1.00 51.41 H new ATOM 0 HB3 MET A 66 0.414 -13.913 19.015 1.00 51.41 H new ATOM 0 HG2 MET A 66 -1.232 -13.958 17.076 1.00 74.01 H new ATOM 0 HG3 MET A 66 -2.517 -13.709 18.242 1.00 74.01 H new ATOM 0 HE1 MET A 66 -2.455 -10.192 19.328 1.00 21.11 H new ATOM 0 HE2 MET A 66 -3.177 -11.818 19.322 1.00 21.11 H new ATOM 0 HE3 MET A 66 -1.725 -11.493 20.298 1.00 21.11 H new ATOM 1066 N ASN A 67 -2.449 -16.981 17.999 1.00 75.23 N ATOM 1067 CA ASN A 67 -3.732 -17.591 17.686 1.00 24.12 C ATOM 1068 C ASN A 67 -4.904 -16.625 17.520 1.00 61.35 C ATOM 1069 O ASN A 67 -6.053 -17.018 17.714 1.00 43.24 O ATOM 1070 CB ASN A 67 -4.127 -18.687 18.738 1.00 1.11 C ATOM 1071 CG ASN A 67 -3.202 -19.912 18.838 1.00 44.32 C ATOM 1072 OD1 ASN A 67 -3.329 -20.674 19.799 1.00 45.14 O ATOM 1073 ND2 ASN A 67 -2.278 -20.139 17.872 1.00 35.52 N ATOM 0 H ASN A 67 -1.780 -17.138 17.245 1.00 75.23 H new ATOM 0 HA ASN A 67 -3.559 -18.037 16.706 1.00 24.12 H new ATOM 0 HB2 ASN A 67 -4.175 -18.215 19.720 1.00 1.11 H new ATOM 0 HB3 ASN A 67 -5.132 -19.038 18.504 1.00 1.11 H new ATOM 0 HD21 ASN A 67 -1.669 -20.955 17.931 1.00 35.52 H new ATOM 0 HD22 ASN A 67 -2.192 -19.494 17.087 1.00 35.52 H new ATOM 1080 N LEU A 68 -4.686 -15.344 17.121 1.00 34.40 N ATOM 1081 CA LEU A 68 -5.804 -14.417 16.983 1.00 24.03 C ATOM 1082 C LEU A 68 -6.544 -14.586 15.665 1.00 42.33 C ATOM 1083 O LEU A 68 -5.970 -14.428 14.591 1.00 23.12 O ATOM 1084 CB LEU A 68 -5.354 -12.935 17.092 1.00 32.54 C ATOM 1085 CG LEU A 68 -6.399 -11.935 17.653 1.00 3.41 C ATOM 1086 CD1 LEU A 68 -6.093 -10.474 17.366 1.00 73.21 C ATOM 1087 CD2 LEU A 68 -7.878 -12.341 17.699 1.00 15.04 C ATOM 0 H LEU A 68 -3.770 -14.953 16.899 1.00 34.40 H new ATOM 0 HA LEU A 68 -6.473 -14.661 17.808 1.00 24.03 H new ATOM 0 HB2 LEU A 68 -4.467 -12.893 17.725 1.00 32.54 H new ATOM 0 HB3 LEU A 68 -5.054 -12.595 16.101 1.00 32.54 H new ATOM 0 HG LEU A 68 -6.216 -12.042 18.722 1.00 3.41 H new ATOM 0 HD11 LEU A 68 -6.875 -9.847 17.794 1.00 73.21 H new ATOM 0 HD12 LEU A 68 -5.133 -10.210 17.809 1.00 73.21 H new ATOM 0 HD13 LEU A 68 -6.051 -10.316 16.288 1.00 73.21 H new ATOM 0 HD21 LEU A 68 -8.466 -11.525 18.119 1.00 15.04 H new ATOM 0 HD22 LEU A 68 -8.227 -12.558 16.690 1.00 15.04 H new ATOM 0 HD23 LEU A 68 -7.993 -13.228 18.321 1.00 15.04 H new ATOM 1099 N HIS A 69 -7.866 -14.861 15.724 1.00 61.42 N ATOM 1100 CA HIS A 69 -8.733 -14.727 14.575 1.00 13.40 C ATOM 1101 C HIS A 69 -10.036 -14.157 15.065 1.00 54.44 C ATOM 1102 O HIS A 69 -10.402 -14.309 16.232 1.00 30.03 O ATOM 1103 CB HIS A 69 -9.002 -16.060 13.809 1.00 24.30 C ATOM 1104 CG HIS A 69 -7.826 -16.616 13.035 1.00 43.52 C ATOM 1105 ND1 HIS A 69 -7.815 -16.629 11.664 1.00 51.01 N ATOM 1106 CD2 HIS A 69 -6.647 -17.153 13.436 1.00 3.02 C ATOM 1107 CE1 HIS A 69 -6.674 -17.147 11.250 1.00 23.24 C ATOM 1108 NE2 HIS A 69 -5.946 -17.471 12.301 1.00 30.01 N ATOM 0 H HIS A 69 -8.340 -15.178 16.570 1.00 61.42 H new ATOM 0 HA HIS A 69 -8.232 -14.079 13.856 1.00 13.40 H new ATOM 0 HB2 HIS A 69 -9.330 -16.812 14.527 1.00 24.30 H new ATOM 0 HB3 HIS A 69 -9.828 -15.900 13.116 1.00 24.30 H new ATOM 0 HD1 HIS A 69 -8.567 -16.293 11.062 1.00 51.01 H new ATOM 0 HD2 HIS A 69 -6.322 -17.302 14.455 1.00 3.02 H new ATOM 0 HE1 HIS A 69 -6.384 -17.283 10.219 1.00 23.24 H new ATOM 0 HE2 HIS A 69 -5.016 -17.889 12.274 1.00 30.01 H new ATOM 1117 N HIS A 70 -10.762 -13.450 14.171 1.00 14.32 N ATOM 1118 CA HIS A 70 -12.037 -12.833 14.468 1.00 2.33 C ATOM 1119 C HIS A 70 -13.100 -13.841 14.847 1.00 63.33 C ATOM 1120 O HIS A 70 -13.353 -14.822 14.150 1.00 11.53 O ATOM 1121 CB HIS A 70 -12.528 -12.000 13.261 1.00 72.23 C ATOM 1122 CG HIS A 70 -13.871 -11.318 13.383 1.00 12.43 C ATOM 1123 ND1 HIS A 70 -15.032 -11.990 13.116 1.00 63.04 N ATOM 1124 CD2 HIS A 70 -14.216 -10.047 13.688 1.00 13.03 C ATOM 1125 CE1 HIS A 70 -16.049 -11.163 13.263 1.00 61.35 C ATOM 1126 NE2 HIS A 70 -15.583 -9.978 13.611 1.00 23.24 N ATOM 0 H HIS A 70 -10.457 -13.300 13.209 1.00 14.32 H new ATOM 0 HA HIS A 70 -11.874 -12.184 15.329 1.00 2.33 H new ATOM 0 HB2 HIS A 70 -11.780 -11.235 13.054 1.00 72.23 H new ATOM 0 HB3 HIS A 70 -12.562 -12.656 12.391 1.00 72.23 H new ATOM 0 HD2 HIS A 70 -13.544 -9.241 13.943 1.00 13.03 H new ATOM 0 HE1 HIS A 70 -17.090 -11.414 13.122 1.00 61.35 H new ATOM 0 HE2 HIS A 70 -16.147 -9.148 13.793 1.00 23.24 H new ATOM 1135 N GLY A 71 -13.760 -13.574 15.987 1.00 22.00 N ATOM 1136 CA GLY A 71 -14.879 -14.361 16.493 1.00 24.31 C ATOM 1137 C GLY A 71 -14.484 -15.466 17.436 1.00 73.40 C ATOM 1138 O GLY A 71 -15.333 -16.055 18.097 1.00 20.22 O ATOM 0 H GLY A 71 -13.519 -12.787 16.589 1.00 22.00 H new ATOM 0 HA2 GLY A 71 -15.575 -13.695 17.004 1.00 24.31 H new ATOM 0 HA3 GLY A 71 -15.414 -14.794 15.648 1.00 24.31 H new ATOM 1142 N LYS A 72 -13.173 -15.763 17.549 1.00 14.14 N ATOM 1143 CA LYS A 72 -12.639 -16.864 18.331 1.00 0.30 C ATOM 1144 C LYS A 72 -12.075 -16.360 19.644 1.00 44.45 C ATOM 1145 O LYS A 72 -11.238 -17.013 20.271 1.00 12.13 O ATOM 1146 CB LYS A 72 -11.547 -17.681 17.573 1.00 63.11 C ATOM 1147 CG LYS A 72 -12.052 -18.593 16.430 1.00 40.14 C ATOM 1148 CD LYS A 72 -12.460 -17.898 15.120 1.00 3.25 C ATOM 1149 CE LYS A 72 -12.957 -18.854 14.028 1.00 22.33 C ATOM 1150 NZ LYS A 72 -11.878 -19.763 13.593 1.00 2.24 N ATOM 0 H LYS A 72 -12.448 -15.220 17.080 1.00 14.14 H new ATOM 0 HA LYS A 72 -13.475 -17.537 18.518 1.00 0.30 H new ATOM 0 HB2 LYS A 72 -10.821 -16.982 17.159 1.00 63.11 H new ATOM 0 HB3 LYS A 72 -11.017 -18.300 18.297 1.00 63.11 H new ATOM 0 HG2 LYS A 72 -11.270 -19.317 16.202 1.00 40.14 H new ATOM 0 HG3 LYS A 72 -12.910 -19.156 16.798 1.00 40.14 H new ATOM 0 HD2 LYS A 72 -13.244 -17.172 15.336 1.00 3.25 H new ATOM 0 HD3 LYS A 72 -11.606 -17.340 14.737 1.00 3.25 H new ATOM 0 HE2 LYS A 72 -13.799 -19.436 14.404 1.00 22.33 H new ATOM 0 HE3 LYS A 72 -13.321 -18.281 13.175 1.00 22.33 H new ATOM 0 HZ1 LYS A 72 -12.201 -20.318 12.775 1.00 2.24 H new ATOM 0 HZ2 LYS A 72 -11.042 -19.206 13.325 1.00 2.24 H new ATOM 0 HZ3 LYS A 72 -11.631 -20.406 14.372 1.00 2.24 H new ATOM 1164 N ALA A 73 -12.551 -15.185 20.125 1.00 13.35 N ATOM 1165 CA ALA A 73 -12.035 -14.500 21.290 1.00 3.40 C ATOM 1166 C ALA A 73 -12.038 -15.316 22.543 1.00 61.21 C ATOM 1167 O ALA A 73 -11.041 -15.308 23.247 1.00 44.31 O ATOM 1168 CB ALA A 73 -12.854 -13.255 21.623 1.00 3.05 C ATOM 0 H ALA A 73 -13.327 -14.690 19.685 1.00 13.35 H new ATOM 0 HA ALA A 73 -11.010 -14.266 21.003 1.00 3.40 H new ATOM 0 HB1 ALA A 73 -12.435 -12.769 22.504 1.00 3.05 H new ATOM 0 HB2 ALA A 73 -12.826 -12.565 20.780 1.00 3.05 H new ATOM 0 HB3 ALA A 73 -13.886 -13.542 21.824 1.00 3.05 H new ATOM 1174 N MET A 74 -13.115 -16.064 22.850 1.00 22.52 N ATOM 1175 CA MET A 74 -13.159 -16.831 24.084 1.00 52.34 C ATOM 1176 C MET A 74 -12.055 -17.885 24.157 1.00 52.21 C ATOM 1177 O MET A 74 -11.432 -18.075 25.198 1.00 25.15 O ATOM 1178 CB MET A 74 -14.529 -17.522 24.294 1.00 24.12 C ATOM 1179 CG MET A 74 -15.670 -16.518 24.546 1.00 24.31 C ATOM 1180 SD MET A 74 -17.283 -17.276 24.911 1.00 24.51 S ATOM 1181 CE MET A 74 -16.888 -17.762 26.617 1.00 60.14 C ATOM 0 H MET A 74 -13.946 -16.146 22.265 1.00 22.52 H new ATOM 0 HA MET A 74 -13.001 -16.103 24.880 1.00 52.34 H new ATOM 0 HB2 MET A 74 -14.767 -18.123 23.416 1.00 24.12 H new ATOM 0 HB3 MET A 74 -14.460 -18.207 25.139 1.00 24.12 H new ATOM 0 HG2 MET A 74 -15.390 -15.873 25.379 1.00 24.31 H new ATOM 0 HG3 MET A 74 -15.774 -15.879 23.669 1.00 24.31 H new ATOM 0 HE1 MET A 74 -16.977 -18.844 26.717 1.00 60.14 H new ATOM 0 HE2 MET A 74 -15.869 -17.458 26.855 1.00 60.14 H new ATOM 0 HE3 MET A 74 -17.581 -17.276 27.304 1.00 60.14 H new ATOM 1191 N GLU A 75 -11.774 -18.572 23.026 1.00 34.21 N ATOM 1192 CA GLU A 75 -10.673 -19.520 22.919 1.00 10.14 C ATOM 1193 C GLU A 75 -9.299 -18.857 22.913 1.00 53.10 C ATOM 1194 O GLU A 75 -8.388 -19.273 23.625 1.00 41.43 O ATOM 1195 CB GLU A 75 -10.816 -20.392 21.644 1.00 3.11 C ATOM 1196 CG GLU A 75 -12.029 -21.353 21.705 1.00 22.11 C ATOM 1197 CD GLU A 75 -12.166 -22.197 20.436 1.00 72.21 C ATOM 1198 OE1 GLU A 75 -12.078 -23.446 20.550 1.00 42.41 O ATOM 1199 OE2 GLU A 75 -12.374 -21.594 19.351 1.00 4.43 O ATOM 0 H GLU A 75 -12.314 -18.475 22.166 1.00 34.21 H new ATOM 0 HA GLU A 75 -10.736 -20.141 23.812 1.00 10.14 H new ATOM 0 HB2 GLU A 75 -10.917 -19.742 20.775 1.00 3.11 H new ATOM 0 HB3 GLU A 75 -9.905 -20.973 21.503 1.00 3.11 H new ATOM 0 HG2 GLU A 75 -11.925 -22.012 22.567 1.00 22.11 H new ATOM 0 HG3 GLU A 75 -12.941 -20.775 21.854 1.00 22.11 H new ATOM 1206 N PHE A 76 -9.152 -17.765 22.132 1.00 54.43 N ATOM 1207 CA PHE A 76 -7.970 -16.926 22.023 1.00 11.25 C ATOM 1208 C PHE A 76 -7.564 -16.287 23.337 1.00 31.23 C ATOM 1209 O PHE A 76 -6.407 -16.337 23.738 1.00 14.22 O ATOM 1210 CB PHE A 76 -8.249 -15.851 20.926 1.00 23.51 C ATOM 1211 CG PHE A 76 -7.244 -14.731 20.886 1.00 52.11 C ATOM 1212 CD1 PHE A 76 -5.941 -14.907 20.409 1.00 11.31 C ATOM 1213 CD2 PHE A 76 -7.605 -13.494 21.446 1.00 35.30 C ATOM 1214 CE1 PHE A 76 -5.029 -13.845 20.444 1.00 71.43 C ATOM 1215 CE2 PHE A 76 -6.669 -12.468 21.558 1.00 10.43 C ATOM 1216 CZ PHE A 76 -5.384 -12.633 21.037 1.00 74.24 C ATOM 0 H PHE A 76 -9.908 -17.438 21.531 1.00 54.43 H new ATOM 0 HA PHE A 76 -7.121 -17.550 21.743 1.00 11.25 H new ATOM 0 HB2 PHE A 76 -8.270 -16.340 19.952 1.00 23.51 H new ATOM 0 HB3 PHE A 76 -9.240 -15.428 21.092 1.00 23.51 H new ATOM 0 HD1 PHE A 76 -5.637 -15.865 20.013 1.00 11.31 H new ATOM 0 HD2 PHE A 76 -8.616 -13.337 21.792 1.00 35.30 H new ATOM 0 HE1 PHE A 76 -4.047 -13.965 20.010 1.00 71.43 H new ATOM 0 HE2 PHE A 76 -6.938 -11.544 22.048 1.00 10.43 H new ATOM 0 HZ PHE A 76 -4.668 -11.826 21.093 1.00 74.24 H new ATOM 1226 N ALA A 77 -8.520 -15.689 24.061 1.00 64.05 N ATOM 1227 CA ALA A 77 -8.284 -14.990 25.294 1.00 41.34 C ATOM 1228 C ALA A 77 -7.703 -15.877 26.381 1.00 62.45 C ATOM 1229 O ALA A 77 -6.784 -15.487 27.101 1.00 73.40 O ATOM 1230 CB ALA A 77 -9.622 -14.393 25.711 1.00 41.43 C ATOM 0 H ALA A 77 -9.501 -15.689 23.781 1.00 64.05 H new ATOM 0 HA ALA A 77 -7.531 -14.216 25.144 1.00 41.34 H new ATOM 0 HB1 ALA A 77 -9.501 -13.848 26.647 1.00 41.43 H new ATOM 0 HB2 ALA A 77 -9.973 -13.711 24.937 1.00 41.43 H new ATOM 0 HB3 ALA A 77 -10.350 -15.192 25.848 1.00 41.43 H new ATOM 1236 N MET A 78 -8.212 -17.126 26.478 1.00 40.33 N ATOM 1237 CA MET A 78 -7.710 -18.155 27.366 1.00 40.13 C ATOM 1238 C MET A 78 -6.279 -18.579 27.055 1.00 52.43 C ATOM 1239 O MET A 78 -5.487 -18.806 27.968 1.00 74.33 O ATOM 1240 CB MET A 78 -8.677 -19.362 27.396 1.00 4.53 C ATOM 1241 CG MET A 78 -10.015 -19.010 28.092 1.00 40.20 C ATOM 1242 SD MET A 78 -11.245 -20.353 28.104 1.00 11.43 S ATOM 1243 CE MET A 78 -10.375 -21.465 29.246 1.00 50.34 C ATOM 0 H MET A 78 -9.005 -17.437 25.917 1.00 40.33 H new ATOM 0 HA MET A 78 -7.669 -17.719 28.364 1.00 40.13 H new ATOM 0 HB2 MET A 78 -8.874 -19.695 26.377 1.00 4.53 H new ATOM 0 HB3 MET A 78 -8.204 -20.194 27.918 1.00 4.53 H new ATOM 0 HG2 MET A 78 -9.807 -18.717 29.121 1.00 40.20 H new ATOM 0 HG3 MET A 78 -10.450 -18.142 27.595 1.00 40.20 H new ATOM 0 HE1 MET A 78 -11.064 -22.230 29.604 1.00 50.34 H new ATOM 0 HE2 MET A 78 -9.542 -21.940 28.728 1.00 50.34 H new ATOM 0 HE3 MET A 78 -9.996 -20.893 30.093 1.00 50.34 H new ATOM 1253 N LYS A 79 -5.878 -18.629 25.759 1.00 2.21 N ATOM 1254 CA LYS A 79 -4.494 -18.871 25.345 1.00 30.15 C ATOM 1255 C LYS A 79 -3.538 -17.784 25.851 1.00 55.53 C ATOM 1256 O LYS A 79 -2.359 -18.035 26.087 1.00 4.35 O ATOM 1257 CB LYS A 79 -4.362 -18.952 23.798 1.00 4.23 C ATOM 1258 CG LYS A 79 -5.040 -20.176 23.153 1.00 65.45 C ATOM 1259 CD LYS A 79 -4.289 -21.497 23.386 1.00 31.25 C ATOM 1260 CE LYS A 79 -5.038 -22.712 22.838 1.00 52.24 C ATOM 1261 NZ LYS A 79 -4.235 -23.930 23.061 1.00 25.05 N ATOM 0 H LYS A 79 -6.519 -18.500 24.976 1.00 2.21 H new ATOM 0 HA LYS A 79 -4.219 -19.827 25.790 1.00 30.15 H new ATOM 0 HB2 LYS A 79 -4.788 -18.048 23.364 1.00 4.23 H new ATOM 0 HB3 LYS A 79 -3.303 -18.962 23.538 1.00 4.23 H new ATOM 0 HG2 LYS A 79 -6.051 -20.269 23.548 1.00 65.45 H new ATOM 0 HG3 LYS A 79 -5.132 -20.005 22.080 1.00 65.45 H new ATOM 0 HD2 LYS A 79 -3.308 -21.439 22.915 1.00 31.25 H new ATOM 0 HD3 LYS A 79 -4.123 -21.631 24.455 1.00 31.25 H new ATOM 0 HE2 LYS A 79 -6.006 -22.807 23.330 1.00 52.24 H new ATOM 0 HE3 LYS A 79 -5.233 -22.582 21.773 1.00 52.24 H new ATOM 0 HZ1 LYS A 79 -4.746 -24.756 22.688 1.00 25.05 H new ATOM 0 HZ2 LYS A 79 -3.322 -23.838 22.572 1.00 25.05 H new ATOM 0 HZ3 LYS A 79 -4.071 -24.056 24.080 1.00 25.05 H new ATOM 1275 N HIS A 80 -4.053 -16.552 26.060 1.00 35.15 N ATOM 1276 CA HIS A 80 -3.331 -15.404 26.580 1.00 45.40 C ATOM 1277 C HIS A 80 -3.451 -15.217 28.077 1.00 42.44 C ATOM 1278 O HIS A 80 -3.049 -14.185 28.612 1.00 11.32 O ATOM 1279 CB HIS A 80 -3.766 -14.132 25.834 1.00 63.11 C ATOM 1280 CG HIS A 80 -3.225 -14.157 24.430 1.00 21.44 C ATOM 1281 ND1 HIS A 80 -1.903 -13.902 24.178 1.00 44.52 N ATOM 1282 CD2 HIS A 80 -3.739 -14.695 23.304 1.00 23.20 C ATOM 1283 CE1 HIS A 80 -1.625 -14.279 22.942 1.00 23.12 C ATOM 1284 NE2 HIS A 80 -2.719 -14.772 22.396 1.00 21.44 N ATOM 0 H HIS A 80 -5.029 -16.337 25.857 1.00 35.15 H new ATOM 0 HA HIS A 80 -2.274 -15.601 26.401 1.00 45.40 H new ATOM 0 HB2 HIS A 80 -4.854 -14.065 25.814 1.00 63.11 H new ATOM 0 HB3 HIS A 80 -3.402 -13.249 26.359 1.00 63.11 H new ATOM 0 HD2 HIS A 80 -4.762 -15.006 23.149 1.00 23.20 H new ATOM 0 HE1 HIS A 80 -0.662 -14.197 22.460 1.00 23.12 H new ATOM 0 HE2 HIS A 80 -2.793 -15.149 21.451 1.00 21.44 H new ATOM 1293 N GLY A 81 -3.956 -16.232 28.811 1.00 55.03 N ATOM 1294 CA GLY A 81 -3.871 -16.250 30.264 1.00 43.55 C ATOM 1295 C GLY A 81 -5.080 -15.710 30.961 1.00 42.13 C ATOM 1296 O GLY A 81 -5.129 -15.698 32.188 1.00 74.43 O ATOM 0 H GLY A 81 -4.425 -17.044 28.409 1.00 55.03 H new ATOM 0 HA2 GLY A 81 -3.705 -17.276 30.593 1.00 43.55 H new ATOM 0 HA3 GLY A 81 -3.000 -15.671 30.572 1.00 43.55 H new ATOM 1300 N ALA A 82 -6.117 -15.280 30.212 1.00 73.10 N ATOM 1301 CA ALA A 82 -7.427 -15.058 30.803 1.00 75.00 C ATOM 1302 C ALA A 82 -8.056 -16.371 31.288 1.00 32.52 C ATOM 1303 O ALA A 82 -7.949 -17.411 30.644 1.00 4.22 O ATOM 1304 CB ALA A 82 -8.384 -14.392 29.792 1.00 71.35 C ATOM 0 H ALA A 82 -6.062 -15.086 29.212 1.00 73.10 H new ATOM 0 HA ALA A 82 -7.279 -14.397 31.657 1.00 75.00 H new ATOM 0 HB1 ALA A 82 -9.357 -14.237 30.259 1.00 71.35 H new ATOM 0 HB2 ALA A 82 -7.974 -13.431 29.481 1.00 71.35 H new ATOM 0 HB3 ALA A 82 -8.499 -15.037 28.921 1.00 71.35 H new ATOM 1310 N ASP A 83 -8.760 -16.371 32.446 1.00 61.54 N ATOM 1311 CA ASP A 83 -9.579 -17.512 32.825 1.00 54.25 C ATOM 1312 C ASP A 83 -10.901 -17.411 32.080 1.00 61.35 C ATOM 1313 O ASP A 83 -11.211 -16.387 31.477 1.00 73.33 O ATOM 1314 CB ASP A 83 -9.854 -17.586 34.347 1.00 33.04 C ATOM 1315 CG ASP A 83 -8.553 -17.773 35.122 1.00 14.01 C ATOM 1316 OD1 ASP A 83 -8.257 -16.906 35.983 1.00 31.02 O ATOM 1317 OD2 ASP A 83 -7.881 -18.810 34.888 1.00 35.15 O ATOM 0 H ASP A 83 -8.768 -15.600 33.114 1.00 61.54 H new ATOM 0 HA ASP A 83 -9.033 -18.418 32.563 1.00 54.25 H new ATOM 0 HB2 ASP A 83 -10.351 -16.674 34.676 1.00 33.04 H new ATOM 0 HB3 ASP A 83 -10.532 -18.413 34.559 1.00 33.04 H new ATOM 1322 N GLU A 84 -11.732 -18.475 32.102 1.00 64.31 N ATOM 1323 CA GLU A 84 -12.944 -18.535 31.291 1.00 11.32 C ATOM 1324 C GLU A 84 -13.969 -17.485 31.692 1.00 42.22 C ATOM 1325 O GLU A 84 -14.656 -16.900 30.858 1.00 71.40 O ATOM 1326 CB GLU A 84 -13.578 -19.957 31.294 1.00 12.31 C ATOM 1327 CG GLU A 84 -14.106 -20.461 32.658 1.00 54.54 C ATOM 1328 CD GLU A 84 -14.663 -21.885 32.575 1.00 22.41 C ATOM 1329 OE1 GLU A 84 -14.089 -22.772 33.258 1.00 53.45 O ATOM 1330 OE2 GLU A 84 -15.667 -22.086 31.845 1.00 50.35 O ATOM 0 H GLU A 84 -11.575 -19.302 32.678 1.00 64.31 H new ATOM 0 HA GLU A 84 -12.633 -18.309 30.271 1.00 11.32 H new ATOM 0 HB2 GLU A 84 -14.403 -19.967 30.581 1.00 12.31 H new ATOM 0 HB3 GLU A 84 -12.834 -20.666 30.930 1.00 12.31 H new ATOM 0 HG2 GLU A 84 -13.300 -20.431 33.391 1.00 54.54 H new ATOM 0 HG3 GLU A 84 -14.886 -19.788 33.014 1.00 54.54 H new ATOM 1337 N ALA A 85 -14.024 -17.192 33.009 1.00 53.03 N ATOM 1338 CA ALA A 85 -14.811 -16.147 33.622 1.00 40.35 C ATOM 1339 C ALA A 85 -14.355 -14.756 33.205 1.00 45.13 C ATOM 1340 O ALA A 85 -15.151 -13.883 32.871 1.00 41.11 O ATOM 1341 CB ALA A 85 -14.727 -16.299 35.152 1.00 1.25 C ATOM 0 H ALA A 85 -13.483 -17.719 33.695 1.00 53.03 H new ATOM 0 HA ALA A 85 -15.842 -16.252 33.283 1.00 40.35 H new ATOM 0 HB1 ALA A 85 -15.317 -15.516 35.628 1.00 1.25 H new ATOM 0 HB2 ALA A 85 -15.117 -17.275 35.443 1.00 1.25 H new ATOM 0 HB3 ALA A 85 -13.688 -16.214 35.470 1.00 1.25 H new ATOM 1347 N MET A 86 -13.024 -14.533 33.197 1.00 64.45 N ATOM 1348 CA MET A 86 -12.393 -13.300 32.777 1.00 44.30 C ATOM 1349 C MET A 86 -12.540 -13.049 31.291 1.00 30.02 C ATOM 1350 O MET A 86 -12.749 -11.921 30.851 1.00 33.32 O ATOM 1351 CB MET A 86 -10.896 -13.283 33.130 1.00 13.33 C ATOM 1352 CG MET A 86 -10.603 -13.316 34.640 1.00 55.45 C ATOM 1353 SD MET A 86 -8.833 -13.497 35.007 1.00 24.34 S ATOM 1354 CE MET A 86 -9.040 -13.446 36.809 1.00 40.14 C ATOM 0 H MET A 86 -12.352 -15.240 33.496 1.00 64.45 H new ATOM 0 HA MET A 86 -12.910 -12.508 33.319 1.00 44.30 H new ATOM 0 HB2 MET A 86 -10.414 -14.139 32.659 1.00 13.33 H new ATOM 0 HB3 MET A 86 -10.444 -12.388 32.703 1.00 13.33 H new ATOM 0 HG2 MET A 86 -10.973 -12.399 35.098 1.00 55.45 H new ATOM 0 HG3 MET A 86 -11.150 -14.142 35.094 1.00 55.45 H new ATOM 0 HE1 MET A 86 -8.066 -13.541 37.290 1.00 40.14 H new ATOM 0 HE2 MET A 86 -9.496 -12.498 37.096 1.00 40.14 H new ATOM 0 HE3 MET A 86 -9.682 -14.268 37.125 1.00 40.14 H new ATOM 1364 N ALA A 87 -12.424 -14.117 30.477 1.00 14.11 N ATOM 1365 CA ALA A 87 -12.599 -14.058 29.043 1.00 62.10 C ATOM 1366 C ALA A 87 -13.995 -13.601 28.629 1.00 55.51 C ATOM 1367 O ALA A 87 -14.163 -12.682 27.830 1.00 3.04 O ATOM 1368 CB ALA A 87 -12.312 -15.452 28.448 1.00 20.25 C ATOM 0 H ALA A 87 -12.202 -15.052 30.820 1.00 14.11 H new ATOM 0 HA ALA A 87 -11.900 -13.316 28.658 1.00 62.10 H new ATOM 0 HB1 ALA A 87 -12.441 -15.419 27.366 1.00 20.25 H new ATOM 0 HB2 ALA A 87 -11.288 -15.744 28.683 1.00 20.25 H new ATOM 0 HB3 ALA A 87 -13.004 -16.179 28.874 1.00 20.25 H new ATOM 1374 N LYS A 88 -15.051 -14.187 29.240 1.00 41.11 N ATOM 1375 CA LYS A 88 -16.425 -13.770 29.005 1.00 75.23 C ATOM 1376 C LYS A 88 -16.708 -12.396 29.578 1.00 72.23 C ATOM 1377 O LYS A 88 -17.503 -11.639 29.028 1.00 13.24 O ATOM 1378 CB LYS A 88 -17.484 -14.785 29.522 1.00 31.24 C ATOM 1379 CG LYS A 88 -17.554 -14.995 31.043 1.00 74.13 C ATOM 1380 CD LYS A 88 -18.657 -15.975 31.478 1.00 11.33 C ATOM 1381 CE LYS A 88 -20.060 -15.374 31.380 1.00 54.21 C ATOM 1382 NZ LYS A 88 -21.062 -16.369 31.808 1.00 10.43 N ATOM 0 H LYS A 88 -14.960 -14.956 29.903 1.00 41.11 H new ATOM 0 HA LYS A 88 -16.520 -13.730 27.920 1.00 75.23 H new ATOM 0 HB2 LYS A 88 -18.465 -14.458 29.178 1.00 31.24 H new ATOM 0 HB3 LYS A 88 -17.288 -15.750 29.054 1.00 31.24 H new ATOM 0 HG2 LYS A 88 -16.591 -15.365 31.395 1.00 74.13 H new ATOM 0 HG3 LYS A 88 -17.722 -14.033 31.527 1.00 74.13 H new ATOM 0 HD2 LYS A 88 -18.606 -16.870 30.857 1.00 11.33 H new ATOM 0 HD3 LYS A 88 -18.473 -16.289 32.505 1.00 11.33 H new ATOM 0 HE2 LYS A 88 -20.128 -14.484 32.005 1.00 54.21 H new ATOM 0 HE3 LYS A 88 -20.260 -15.060 30.355 1.00 54.21 H new ATOM 0 HZ1 LYS A 88 -22.014 -15.955 31.739 1.00 10.43 H new ATOM 0 HZ2 LYS A 88 -21.004 -17.207 31.194 1.00 10.43 H new ATOM 0 HZ3 LYS A 88 -20.876 -16.648 32.793 1.00 10.43 H new ATOM 1396 N GLN A 89 -16.007 -12.009 30.667 1.00 52.33 N ATOM 1397 CA GLN A 89 -16.041 -10.682 31.235 1.00 52.44 C ATOM 1398 C GLN A 89 -15.582 -9.583 30.305 1.00 41.50 C ATOM 1399 O GLN A 89 -16.245 -8.552 30.244 1.00 73.40 O ATOM 1400 CB GLN A 89 -15.261 -10.610 32.570 1.00 53.24 C ATOM 1401 CG GLN A 89 -15.203 -9.196 33.183 1.00 24.30 C ATOM 1402 CD GLN A 89 -14.805 -9.201 34.658 1.00 12.23 C ATOM 1403 OE1 GLN A 89 -15.538 -8.720 35.524 1.00 24.51 O ATOM 1404 NE2 GLN A 89 -13.607 -9.758 34.960 1.00 44.30 N ATOM 0 H GLN A 89 -15.391 -12.644 31.175 1.00 52.33 H new ATOM 0 HA GLN A 89 -17.099 -10.497 31.421 1.00 52.44 H new ATOM 0 HB2 GLN A 89 -15.724 -11.288 33.287 1.00 53.24 H new ATOM 0 HB3 GLN A 89 -14.244 -10.966 32.405 1.00 53.24 H new ATOM 0 HG2 GLN A 89 -14.490 -8.592 32.622 1.00 24.30 H new ATOM 0 HG3 GLN A 89 -16.178 -8.720 33.077 1.00 24.30 H new ATOM 0 HE21 GLN A 89 -13.024 -10.147 34.219 1.00 44.30 H new ATOM 0 HE22 GLN A 89 -13.288 -9.788 35.928 1.00 44.30 H new ATOM 1413 N LEU A 90 -14.495 -9.739 29.510 1.00 11.31 N ATOM 1414 CA LEU A 90 -14.104 -8.729 28.570 1.00 70.20 C ATOM 1415 C LEU A 90 -15.147 -8.490 27.489 1.00 11.44 C ATOM 1416 O LEU A 90 -15.473 -7.353 27.151 1.00 74.23 O ATOM 1417 CB LEU A 90 -12.757 -9.120 27.942 1.00 3.12 C ATOM 1418 CG LEU A 90 -11.510 -9.130 28.859 1.00 62.33 C ATOM 1419 CD1 LEU A 90 -10.229 -9.370 28.027 1.00 33.11 C ATOM 1420 CD2 LEU A 90 -11.358 -7.889 29.754 1.00 43.13 C ATOM 0 H LEU A 90 -13.893 -10.562 29.521 1.00 11.31 H new ATOM 0 HA LEU A 90 -14.008 -7.789 29.114 1.00 70.20 H new ATOM 0 HB2 LEU A 90 -12.864 -10.116 27.512 1.00 3.12 H new ATOM 0 HB3 LEU A 90 -12.561 -8.435 27.117 1.00 3.12 H new ATOM 0 HG LEU A 90 -11.663 -9.959 29.550 1.00 62.33 H new ATOM 0 HD11 LEU A 90 -9.362 -9.374 28.687 1.00 33.11 H new ATOM 0 HD12 LEU A 90 -10.301 -10.331 27.517 1.00 33.11 H new ATOM 0 HD13 LEU A 90 -10.120 -8.575 27.290 1.00 33.11 H new ATOM 0 HD21 LEU A 90 -10.457 -7.986 30.360 1.00 43.13 H new ATOM 0 HD22 LEU A 90 -11.282 -6.998 29.131 1.00 43.13 H new ATOM 0 HD23 LEU A 90 -12.227 -7.802 30.407 1.00 43.13 H new ATOM 1432 N LEU A 91 -15.745 -9.577 26.970 1.00 40.41 N ATOM 1433 CA LEU A 91 -16.854 -9.521 26.038 1.00 14.30 C ATOM 1434 C LEU A 91 -18.102 -8.897 26.685 1.00 33.43 C ATOM 1435 O LEU A 91 -18.818 -8.107 26.069 1.00 13.23 O ATOM 1436 CB LEU A 91 -17.107 -10.952 25.495 1.00 12.11 C ATOM 1437 CG LEU A 91 -15.958 -11.481 24.597 1.00 44.31 C ATOM 1438 CD1 LEU A 91 -15.785 -12.998 24.710 1.00 11.34 C ATOM 1439 CD2 LEU A 91 -16.196 -11.144 23.125 1.00 32.41 C ATOM 0 H LEU A 91 -15.457 -10.528 27.199 1.00 40.41 H new ATOM 0 HA LEU A 91 -16.608 -8.869 25.200 1.00 14.30 H new ATOM 0 HB2 LEU A 91 -17.245 -11.633 26.335 1.00 12.11 H new ATOM 0 HB3 LEU A 91 -18.036 -10.958 24.925 1.00 12.11 H new ATOM 0 HG LEU A 91 -15.055 -10.986 24.955 1.00 44.31 H new ATOM 0 HD11 LEU A 91 -14.969 -13.320 24.063 1.00 11.34 H new ATOM 0 HD12 LEU A 91 -15.556 -13.262 25.742 1.00 11.34 H new ATOM 0 HD13 LEU A 91 -16.707 -13.493 24.405 1.00 11.34 H new ATOM 0 HD21 LEU A 91 -15.371 -11.530 22.526 1.00 32.41 H new ATOM 0 HD22 LEU A 91 -17.129 -11.599 22.794 1.00 32.41 H new ATOM 0 HD23 LEU A 91 -16.257 -10.062 23.005 1.00 32.41 H new ATOM 1451 N ASP A 92 -18.380 -9.221 27.970 1.00 34.12 N ATOM 1452 CA ASP A 92 -19.466 -8.662 28.753 1.00 21.22 C ATOM 1453 C ASP A 92 -19.325 -7.180 29.075 1.00 64.14 C ATOM 1454 O ASP A 92 -20.294 -6.437 28.966 1.00 43.00 O ATOM 1455 CB ASP A 92 -19.650 -9.534 30.007 1.00 45.45 C ATOM 1456 CG ASP A 92 -20.879 -9.233 30.856 1.00 54.11 C ATOM 1457 OD1 ASP A 92 -22.008 -9.474 30.348 1.00 75.02 O ATOM 1458 OD2 ASP A 92 -20.701 -8.792 32.019 1.00 65.22 O ATOM 0 H ASP A 92 -17.827 -9.902 28.491 1.00 34.12 H new ATOM 0 HA ASP A 92 -20.369 -8.688 28.143 1.00 21.22 H new ATOM 0 HB2 ASP A 92 -19.695 -10.578 29.696 1.00 45.45 H new ATOM 0 HB3 ASP A 92 -18.765 -9.426 30.634 1.00 45.45 H new ATOM 1463 N ILE A 93 -18.106 -6.704 29.426 1.00 21.24 N ATOM 1464 CA ILE A 93 -17.788 -5.280 29.597 1.00 40.14 C ATOM 1465 C ILE A 93 -18.060 -4.549 28.309 1.00 12.31 C ATOM 1466 O ILE A 93 -18.686 -3.492 28.300 1.00 1.21 O ATOM 1467 CB ILE A 93 -16.320 -5.000 29.917 1.00 44.40 C ATOM 1468 CG1 ILE A 93 -15.892 -5.471 31.322 1.00 61.15 C ATOM 1469 CG2 ILE A 93 -15.974 -3.501 29.742 1.00 1.01 C ATOM 1470 CD1 ILE A 93 -14.365 -5.506 31.534 1.00 35.41 C ATOM 0 H ILE A 93 -17.308 -7.315 29.599 1.00 21.24 H new ATOM 0 HA ILE A 93 -18.405 -4.950 30.433 1.00 40.14 H new ATOM 0 HB ILE A 93 -15.756 -5.589 29.194 1.00 44.40 H new ATOM 0 HG12 ILE A 93 -16.337 -4.811 32.066 1.00 61.15 H new ATOM 0 HG13 ILE A 93 -16.296 -6.468 31.498 1.00 61.15 H new ATOM 0 HG21 ILE A 93 -14.922 -3.340 29.978 1.00 1.01 H new ATOM 0 HG22 ILE A 93 -16.164 -3.202 28.711 1.00 1.01 H new ATOM 0 HG23 ILE A 93 -16.592 -2.904 30.413 1.00 1.01 H new ATOM 0 HD11 ILE A 93 -14.146 -5.847 32.546 1.00 35.41 H new ATOM 0 HD12 ILE A 93 -13.913 -6.189 30.815 1.00 35.41 H new ATOM 0 HD13 ILE A 93 -13.955 -4.506 31.392 1.00 35.41 H new ATOM 1482 N LYS A 94 -17.623 -5.133 27.175 1.00 31.55 N ATOM 1483 CA LYS A 94 -17.821 -4.568 25.867 1.00 34.32 C ATOM 1484 C LYS A 94 -19.274 -4.365 25.581 1.00 32.12 C ATOM 1485 O LYS A 94 -19.694 -3.260 25.264 1.00 65.02 O ATOM 1486 CB LYS A 94 -17.211 -5.524 24.798 1.00 63.12 C ATOM 1487 CG LYS A 94 -17.988 -5.589 23.468 1.00 70.21 C ATOM 1488 CD LYS A 94 -17.253 -6.145 22.244 1.00 51.43 C ATOM 1489 CE LYS A 94 -17.804 -5.437 21.009 1.00 22.52 C ATOM 1490 NZ LYS A 94 -17.034 -5.744 19.792 1.00 31.21 N ATOM 0 H LYS A 94 -17.119 -6.020 27.164 1.00 31.55 H new ATOM 0 HA LYS A 94 -17.327 -3.597 25.831 1.00 34.32 H new ATOM 0 HB2 LYS A 94 -16.189 -5.208 24.590 1.00 63.12 H new ATOM 0 HB3 LYS A 94 -17.155 -6.528 25.219 1.00 63.12 H new ATOM 0 HG2 LYS A 94 -18.879 -6.195 23.629 1.00 70.21 H new ATOM 0 HG3 LYS A 94 -18.327 -4.581 23.227 1.00 70.21 H new ATOM 0 HD2 LYS A 94 -16.180 -5.977 22.334 1.00 51.43 H new ATOM 0 HD3 LYS A 94 -17.402 -7.222 22.165 1.00 51.43 H new ATOM 0 HE2 LYS A 94 -18.844 -5.729 20.860 1.00 22.52 H new ATOM 0 HE3 LYS A 94 -17.796 -4.360 21.178 1.00 22.52 H new ATOM 0 HZ1 LYS A 94 -17.089 -4.940 19.134 1.00 31.21 H new ATOM 0 HZ2 LYS A 94 -16.040 -5.917 20.044 1.00 31.21 H new ATOM 0 HZ3 LYS A 94 -17.428 -6.592 19.337 1.00 31.21 H new ATOM 1504 N HIS A 95 -20.121 -5.387 25.770 1.00 73.03 N ATOM 1505 CA HIS A 95 -21.475 -5.244 25.271 1.00 32.23 C ATOM 1506 C HIS A 95 -22.245 -4.333 26.184 1.00 30.02 C ATOM 1507 O HIS A 95 -23.179 -3.641 25.790 1.00 44.31 O ATOM 1508 CB HIS A 95 -22.206 -6.579 25.198 1.00 60.14 C ATOM 1509 CG HIS A 95 -22.814 -7.183 26.396 1.00 13.50 C ATOM 1510 ND1 HIS A 95 -24.009 -6.886 26.982 1.00 4.24 N ATOM 1511 CD2 HIS A 95 -22.266 -8.184 27.073 1.00 71.32 C ATOM 1512 CE1 HIS A 95 -24.161 -7.676 28.029 1.00 10.24 C ATOM 1513 NE2 HIS A 95 -23.106 -8.470 28.112 1.00 3.33 N ATOM 0 H HIS A 95 -19.903 -6.267 26.237 1.00 73.03 H new ATOM 0 HA HIS A 95 -21.410 -4.834 24.263 1.00 32.23 H new ATOM 0 HB2 HIS A 95 -23.000 -6.467 24.460 1.00 60.14 H new ATOM 0 HB3 HIS A 95 -21.500 -7.307 24.798 1.00 60.14 H new ATOM 0 HD2 HIS A 95 -21.333 -8.679 26.846 1.00 71.32 H new ATOM 0 HE1 HIS A 95 -25.004 -7.674 28.704 1.00 10.24 H new ATOM 0 HE2 HIS A 95 -22.947 -9.176 28.830 1.00 3.33 H new ATOM 1522 N SER A 96 -21.802 -4.337 27.459 1.00 31.12 N ATOM 1523 CA SER A 96 -22.353 -3.478 28.508 1.00 35.31 C ATOM 1524 C SER A 96 -22.083 -2.012 28.217 1.00 74.34 C ATOM 1525 O SER A 96 -22.946 -1.143 28.316 1.00 72.22 O ATOM 1526 CB SER A 96 -21.768 -3.836 29.894 1.00 43.24 C ATOM 1527 OG SER A 96 -22.350 -3.087 30.961 1.00 44.25 O ATOM 0 H SER A 96 -21.048 -4.942 27.783 1.00 31.12 H new ATOM 0 HA SER A 96 -23.430 -3.647 28.522 1.00 35.31 H new ATOM 0 HB2 SER A 96 -21.918 -4.899 30.081 1.00 43.24 H new ATOM 0 HB3 SER A 96 -20.692 -3.663 29.882 1.00 43.24 H new ATOM 0 HG SER A 96 -21.943 -3.357 31.810 1.00 44.25 H new ATOM 1533 N CYS A 97 -20.842 -1.718 27.792 1.00 11.51 N ATOM 1534 CA CYS A 97 -20.395 -0.409 27.380 1.00 51.55 C ATOM 1535 C CYS A 97 -21.041 0.108 26.119 1.00 72.43 C ATOM 1536 O CYS A 97 -21.268 1.305 25.986 1.00 60.43 O ATOM 1537 CB CYS A 97 -18.861 -0.340 27.274 1.00 25.15 C ATOM 1538 SG CYS A 97 -18.000 -0.062 28.842 1.00 35.12 S ATOM 0 H CYS A 97 -20.108 -2.423 27.730 1.00 11.51 H new ATOM 0 HA CYS A 97 -20.727 0.258 28.176 1.00 51.55 H new ATOM 0 HB2 CYS A 97 -18.499 -1.271 26.838 1.00 25.15 H new ATOM 0 HB3 CYS A 97 -18.595 0.460 26.583 1.00 25.15 H new ATOM 1543 N GLU A 98 -21.392 -0.780 25.170 1.00 62.24 N ATOM 1544 CA GLU A 98 -22.016 -0.435 23.895 1.00 71.42 C ATOM 1545 C GLU A 98 -23.361 0.236 24.079 1.00 45.22 C ATOM 1546 O GLU A 98 -23.821 0.999 23.238 1.00 32.21 O ATOM 1547 CB GLU A 98 -22.192 -1.708 23.033 1.00 0.40 C ATOM 1548 CG GLU A 98 -20.838 -2.287 22.562 1.00 10.44 C ATOM 1549 CD GLU A 98 -20.292 -1.626 21.296 1.00 62.23 C ATOM 1550 OE1 GLU A 98 -20.075 -0.388 21.303 1.00 13.41 O ATOM 1551 OE2 GLU A 98 -20.082 -2.372 20.304 1.00 64.40 O ATOM 0 H GLU A 98 -21.242 -1.783 25.280 1.00 62.24 H new ATOM 0 HA GLU A 98 -21.356 0.272 23.393 1.00 71.42 H new ATOM 0 HB2 GLU A 98 -22.727 -2.463 23.609 1.00 0.40 H new ATOM 0 HB3 GLU A 98 -22.807 -1.474 22.164 1.00 0.40 H new ATOM 0 HG2 GLU A 98 -20.107 -2.176 23.363 1.00 10.44 H new ATOM 0 HG3 GLU A 98 -20.953 -3.356 22.382 1.00 10.44 H new ATOM 1558 N LYS A 99 -24.014 -0.057 25.213 1.00 74.34 N ATOM 1559 CA LYS A 99 -25.303 0.460 25.602 1.00 21.33 C ATOM 1560 C LYS A 99 -25.157 1.897 26.072 1.00 71.10 C ATOM 1561 O LYS A 99 -25.998 2.749 25.795 1.00 13.35 O ATOM 1562 CB LYS A 99 -25.842 -0.373 26.790 1.00 53.34 C ATOM 1563 CG LYS A 99 -26.044 -1.867 26.488 1.00 40.15 C ATOM 1564 CD LYS A 99 -26.146 -2.700 27.782 1.00 65.23 C ATOM 1565 CE LYS A 99 -27.574 -2.854 28.300 1.00 53.34 C ATOM 1566 NZ LYS A 99 -27.565 -3.627 29.557 1.00 3.22 N ATOM 0 H LYS A 99 -23.625 -0.694 25.908 1.00 74.34 H new ATOM 0 HA LYS A 99 -25.980 0.408 24.750 1.00 21.33 H new ATOM 0 HB2 LYS A 99 -25.151 -0.276 27.627 1.00 53.34 H new ATOM 0 HB3 LYS A 99 -26.794 0.051 27.111 1.00 53.34 H new ATOM 0 HG2 LYS A 99 -26.950 -2.000 25.897 1.00 40.15 H new ATOM 0 HG3 LYS A 99 -25.213 -2.232 25.884 1.00 40.15 H new ATOM 0 HD2 LYS A 99 -25.726 -3.689 27.601 1.00 65.23 H new ATOM 0 HD3 LYS A 99 -25.537 -2.231 28.555 1.00 65.23 H new ATOM 0 HE2 LYS A 99 -28.018 -1.873 28.468 1.00 53.34 H new ATOM 0 HE3 LYS A 99 -28.189 -3.359 27.555 1.00 53.34 H new ATOM 0 HZ1 LYS A 99 -28.539 -3.731 29.908 1.00 3.22 H new ATOM 0 HZ2 LYS A 99 -27.158 -4.568 29.383 1.00 3.22 H new ATOM 0 HZ3 LYS A 99 -26.992 -3.128 30.267 1.00 3.22 H new ATOM 1580 N VAL A 100 -24.086 2.161 26.861 1.00 54.21 N ATOM 1581 CA VAL A 100 -23.913 3.408 27.584 1.00 73.23 C ATOM 1582 C VAL A 100 -23.218 4.459 26.744 1.00 32.40 C ATOM 1583 O VAL A 100 -23.492 5.651 26.870 1.00 63.13 O ATOM 1584 CB VAL A 100 -23.183 3.242 28.923 1.00 35.15 C ATOM 1585 CG1 VAL A 100 -23.977 2.231 29.766 1.00 73.50 C ATOM 1586 CG2 VAL A 100 -21.715 2.818 28.790 1.00 51.10 C ATOM 0 H VAL A 100 -23.323 1.499 27.002 1.00 54.21 H new ATOM 0 HA VAL A 100 -24.925 3.747 27.807 1.00 73.23 H new ATOM 0 HB VAL A 100 -23.141 4.217 29.408 1.00 35.15 H new ATOM 0 HG11 VAL A 100 -23.482 2.091 30.727 1.00 73.50 H new ATOM 0 HG12 VAL A 100 -24.987 2.607 29.929 1.00 73.50 H new ATOM 0 HG13 VAL A 100 -24.025 1.277 29.240 1.00 73.50 H new ATOM 0 HG21 VAL A 100 -21.272 2.723 29.782 1.00 51.10 H new ATOM 0 HG22 VAL A 100 -21.658 1.859 28.274 1.00 51.10 H new ATOM 0 HG23 VAL A 100 -21.169 3.570 28.220 1.00 51.10 H new ATOM 1596 N ILE A 101 -22.285 4.035 25.862 1.00 34.41 N ATOM 1597 CA ILE A 101 -21.570 4.931 24.968 1.00 73.14 C ATOM 1598 C ILE A 101 -22.421 5.482 23.840 1.00 52.01 C ATOM 1599 O ILE A 101 -23.403 4.887 23.397 1.00 22.53 O ATOM 1600 CB ILE A 101 -20.322 4.325 24.342 1.00 55.51 C ATOM 1601 CG1 ILE A 101 -20.599 3.078 23.468 1.00 30.15 C ATOM 1602 CG2 ILE A 101 -19.289 4.028 25.448 1.00 75.14 C ATOM 1603 CD1 ILE A 101 -19.883 3.132 22.122 1.00 21.12 C ATOM 0 H ILE A 101 -22.017 3.056 25.761 1.00 34.41 H new ATOM 0 HA ILE A 101 -21.281 5.740 25.639 1.00 73.14 H new ATOM 0 HB ILE A 101 -19.917 5.063 23.649 1.00 55.51 H new ATOM 0 HG12 ILE A 101 -20.284 2.184 24.007 1.00 30.15 H new ATOM 0 HG13 ILE A 101 -21.672 2.988 23.301 1.00 30.15 H new ATOM 0 HG21 ILE A 101 -18.394 3.594 25.003 1.00 75.14 H new ATOM 0 HG22 ILE A 101 -19.027 4.954 25.959 1.00 75.14 H new ATOM 0 HG23 ILE A 101 -19.715 3.326 26.165 1.00 75.14 H new ATOM 0 HD11 ILE A 101 -20.113 2.232 21.551 1.00 21.12 H new ATOM 0 HD12 ILE A 101 -20.217 4.009 21.567 1.00 21.12 H new ATOM 0 HD13 ILE A 101 -18.807 3.193 22.284 1.00 21.12 H new ATOM 1615 N THR A 102 -22.021 6.658 23.302 1.00 72.43 N ATOM 1616 CA THR A 102 -22.535 7.126 22.024 1.00 72.15 C ATOM 1617 C THR A 102 -22.076 6.243 20.884 1.00 2.21 C ATOM 1618 O THR A 102 -20.882 6.093 20.619 1.00 21.21 O ATOM 1619 CB THR A 102 -22.176 8.575 21.706 1.00 63.11 C ATOM 1620 OG1 THR A 102 -22.743 9.443 22.676 1.00 53.14 O ATOM 1621 CG2 THR A 102 -22.651 9.012 20.304 1.00 4.32 C ATOM 0 H THR A 102 -21.348 7.286 23.741 1.00 72.43 H new ATOM 0 HA THR A 102 -23.619 7.072 22.125 1.00 72.15 H new ATOM 0 HB THR A 102 -21.088 8.638 21.725 1.00 63.11 H new ATOM 0 HG1 THR A 102 -22.506 10.370 22.464 1.00 53.14 H new ATOM 0 HG21 THR A 102 -22.369 10.051 20.132 1.00 4.32 H new ATOM 0 HG22 THR A 102 -22.185 8.379 19.548 1.00 4.32 H new ATOM 0 HG23 THR A 102 -23.735 8.915 20.240 1.00 4.32 H new ATOM 1629 N ILE A 103 -23.071 5.698 20.156 1.00 44.21 N ATOM 1630 CA ILE A 103 -22.984 4.939 18.950 1.00 1.42 C ATOM 1631 C ILE A 103 -23.412 5.895 17.897 1.00 22.52 C ATOM 1632 O ILE A 103 -24.425 6.584 18.024 1.00 0.43 O ATOM 1633 CB ILE A 103 -23.896 3.725 18.865 1.00 13.04 C ATOM 1634 CG1 ILE A 103 -23.548 2.726 19.988 1.00 61.10 C ATOM 1635 CG2 ILE A 103 -23.889 3.105 17.437 1.00 71.11 C ATOM 1636 CD1 ILE A 103 -24.390 1.460 19.914 1.00 41.24 C ATOM 0 H ILE A 103 -24.041 5.805 20.451 1.00 44.21 H new ATOM 0 HA ILE A 103 -21.974 4.538 18.865 1.00 1.42 H new ATOM 0 HB ILE A 103 -24.928 4.033 19.031 1.00 13.04 H new ATOM 0 HG12 ILE A 103 -22.492 2.462 19.923 1.00 61.10 H new ATOM 0 HG13 ILE A 103 -23.698 3.204 20.956 1.00 61.10 H new ATOM 0 HG21 ILE A 103 -24.551 2.240 17.413 1.00 71.11 H new ATOM 0 HG22 ILE A 103 -24.234 3.847 16.717 1.00 71.11 H new ATOM 0 HG23 ILE A 103 -22.876 2.794 17.180 1.00 71.11 H new ATOM 0 HD11 ILE A 103 -24.109 0.788 20.725 1.00 41.24 H new ATOM 0 HD12 ILE A 103 -25.445 1.719 20.007 1.00 41.24 H new ATOM 0 HD13 ILE A 103 -24.220 0.966 18.957 1.00 41.24 H new ATOM 1648 N VAL A 104 -22.628 5.958 16.823 1.00 5.21 N ATOM 1649 CA VAL A 104 -22.947 6.804 15.720 1.00 63.44 C ATOM 1650 C VAL A 104 -23.251 5.886 14.561 1.00 3.41 C ATOM 1651 O VAL A 104 -22.465 5.010 14.207 1.00 42.41 O ATOM 1652 CB VAL A 104 -21.801 7.656 15.320 1.00 43.30 C ATOM 1653 CG1 VAL A 104 -22.166 8.654 14.264 1.00 2.24 C ATOM 1654 CG2 VAL A 104 -21.096 8.355 16.472 1.00 61.44 C ATOM 0 H VAL A 104 -21.767 5.423 16.711 1.00 5.21 H new ATOM 0 HA VAL A 104 -23.775 7.457 15.995 1.00 63.44 H new ATOM 0 HB VAL A 104 -21.088 6.945 14.904 1.00 43.30 H new ATOM 0 HG11 VAL A 104 -21.290 9.251 14.009 1.00 2.24 H new ATOM 0 HG12 VAL A 104 -22.520 8.131 13.376 1.00 2.24 H new ATOM 0 HG13 VAL A 104 -22.954 9.308 14.638 1.00 2.24 H new ATOM 0 HG21 VAL A 104 -20.272 8.955 16.084 1.00 61.44 H new ATOM 0 HG22 VAL A 104 -21.802 9.002 16.992 1.00 61.44 H new ATOM 0 HG23 VAL A 104 -20.707 7.610 17.166 1.00 61.44 H new ATOM 1664 N ALA A 105 -24.405 6.098 13.920 1.00 22.32 N ATOM 1665 CA ALA A 105 -24.769 5.446 12.682 1.00 34.31 C ATOM 1666 C ALA A 105 -23.867 5.795 11.506 1.00 70.33 C ATOM 1667 O ALA A 105 -23.429 4.932 10.751 1.00 75.20 O ATOM 1668 CB ALA A 105 -26.218 5.801 12.308 1.00 72.11 C ATOM 0 H ALA A 105 -25.118 6.742 14.263 1.00 22.32 H new ATOM 0 HA ALA A 105 -24.654 4.378 12.869 1.00 34.31 H new ATOM 0 HB1 ALA A 105 -26.484 5.306 11.374 1.00 72.11 H new ATOM 0 HB2 ALA A 105 -26.890 5.469 13.099 1.00 72.11 H new ATOM 0 HB3 ALA A 105 -26.308 6.880 12.185 1.00 72.11 H new ATOM 1674 N ASP A 106 -23.567 7.099 11.352 1.00 23.51 N ATOM 1675 CA ASP A 106 -22.685 7.651 10.345 1.00 1.11 C ATOM 1676 C ASP A 106 -21.231 7.213 10.471 1.00 63.21 C ATOM 1677 O ASP A 106 -20.538 7.053 9.470 1.00 2.04 O ATOM 1678 CB ASP A 106 -22.760 9.200 10.358 1.00 45.41 C ATOM 1679 CG ASP A 106 -24.139 9.666 9.907 1.00 54.52 C ATOM 1680 OD1 ASP A 106 -24.497 9.412 8.730 1.00 2.41 O ATOM 1681 OD2 ASP A 106 -24.846 10.269 10.756 1.00 21.22 O ATOM 0 H ASP A 106 -23.959 7.817 11.962 1.00 23.51 H new ATOM 0 HA ASP A 106 -23.043 7.253 9.396 1.00 1.11 H new ATOM 0 HB2 ASP A 106 -22.553 9.573 11.361 1.00 45.41 H new ATOM 0 HB3 ASP A 106 -21.996 9.614 9.700 1.00 45.41 H new ATOM 1686 N ASP A 107 -20.724 7.092 11.713 1.00 14.41 N ATOM 1687 CA ASP A 107 -19.303 7.058 11.977 1.00 13.15 C ATOM 1688 C ASP A 107 -18.986 5.870 12.885 1.00 15.33 C ATOM 1689 O ASP A 107 -19.079 6.037 14.101 1.00 10.10 O ATOM 1690 CB ASP A 107 -18.872 8.381 12.670 1.00 64.14 C ATOM 1691 CG ASP A 107 -17.360 8.515 12.756 1.00 42.35 C ATOM 1692 OD1 ASP A 107 -16.713 8.602 11.682 1.00 32.13 O ATOM 1693 OD2 ASP A 107 -16.837 8.478 13.900 1.00 12.23 O ATOM 0 H ASP A 107 -21.302 7.016 12.550 1.00 14.41 H new ATOM 0 HA ASP A 107 -18.758 6.951 11.039 1.00 13.15 H new ATOM 0 HB2 ASP A 107 -19.280 9.228 12.119 1.00 64.14 H new ATOM 0 HB3 ASP A 107 -19.297 8.419 13.673 1.00 64.14 H new ATOM 1698 N PRO A 108 -18.562 4.695 12.441 1.00 61.12 N ATOM 1699 CA PRO A 108 -18.243 3.585 13.339 1.00 10.21 C ATOM 1700 C PRO A 108 -17.006 3.844 14.184 1.00 25.43 C ATOM 1701 O PRO A 108 -16.762 3.096 15.131 1.00 65.15 O ATOM 1702 CB PRO A 108 -18.045 2.400 12.379 1.00 43.55 C ATOM 1703 CG PRO A 108 -17.582 3.042 11.068 1.00 64.02 C ATOM 1704 CD PRO A 108 -18.399 4.334 11.029 1.00 20.24 C ATOM 0 HA PRO A 108 -19.027 3.413 14.077 1.00 10.21 H new ATOM 0 HB2 PRO A 108 -17.303 1.699 12.761 1.00 43.55 H new ATOM 0 HB3 PRO A 108 -18.971 1.841 12.242 1.00 43.55 H new ATOM 0 HG2 PRO A 108 -16.510 3.239 11.069 1.00 64.02 H new ATOM 0 HG3 PRO A 108 -17.789 2.405 10.208 1.00 64.02 H new ATOM 0 HD2 PRO A 108 -17.881 5.117 10.474 1.00 20.24 H new ATOM 0 HD3 PRO A 108 -19.362 4.182 10.542 1.00 20.24 H new ATOM 1712 N CYS A 109 -16.197 4.875 13.846 1.00 2.42 N ATOM 1713 CA CYS A 109 -14.957 5.203 14.511 1.00 40.03 C ATOM 1714 C CYS A 109 -15.213 5.710 15.923 1.00 33.50 C ATOM 1715 O CYS A 109 -14.588 5.260 16.880 1.00 13.31 O ATOM 1716 CB CYS A 109 -14.176 6.263 13.697 1.00 33.40 C ATOM 1717 SG CYS A 109 -13.774 5.692 12.012 1.00 10.42 S ATOM 0 H CYS A 109 -16.414 5.509 13.077 1.00 2.42 H new ATOM 0 HA CYS A 109 -14.358 4.295 14.578 1.00 40.03 H new ATOM 0 HB2 CYS A 109 -14.766 7.177 13.636 1.00 33.40 H new ATOM 0 HB3 CYS A 109 -13.254 6.513 14.222 1.00 33.40 H new ATOM 1722 N GLN A 110 -16.209 6.615 16.098 1.00 23.35 N ATOM 1723 CA GLN A 110 -16.679 7.080 17.395 1.00 31.34 C ATOM 1724 C GLN A 110 -17.246 5.957 18.215 1.00 42.25 C ATOM 1725 O GLN A 110 -16.867 5.806 19.370 1.00 51.22 O ATOM 1726 CB GLN A 110 -17.769 8.180 17.261 1.00 12.32 C ATOM 1727 CG GLN A 110 -17.410 9.542 17.906 1.00 3.14 C ATOM 1728 CD GLN A 110 -16.598 10.410 16.952 1.00 40.05 C ATOM 1729 OE1 GLN A 110 -15.528 9.802 16.389 1.00 52.24 O flip ATOM 1730 NE2 GLN A 110 -16.927 11.565 16.677 1.00 54.40 N flip ATOM 0 H GLN A 110 -16.707 7.040 15.316 1.00 23.35 H new ATOM 0 HA GLN A 110 -15.804 7.496 17.894 1.00 31.34 H new ATOM 0 HB2 GLN A 110 -17.974 8.340 16.202 1.00 12.32 H new ATOM 0 HB3 GLN A 110 -18.691 7.813 17.713 1.00 12.32 H new ATOM 0 HG2 GLN A 110 -18.324 10.065 18.188 1.00 3.14 H new ATOM 0 HG3 GLN A 110 -16.842 9.375 18.821 1.00 3.14 H new ATOM 0 HE21 GLN A 110 -17.742 11.984 17.126 1.00 54.40 H new ATOM 0 HE22 GLN A 110 -16.385 12.102 16.000 1.00 54.40 H new ATOM 1739 N THR A 111 -18.093 5.091 17.610 1.00 60.24 N ATOM 1740 CA THR A 111 -18.621 3.910 18.294 1.00 13.25 C ATOM 1741 C THR A 111 -17.497 3.012 18.809 1.00 14.20 C ATOM 1742 O THR A 111 -17.511 2.621 19.972 1.00 55.24 O ATOM 1743 CB THR A 111 -19.510 3.053 17.406 1.00 12.33 C ATOM 1744 OG1 THR A 111 -20.582 3.828 16.886 1.00 62.41 O ATOM 1745 CG2 THR A 111 -20.109 1.869 18.205 1.00 12.43 C ATOM 0 H THR A 111 -18.419 5.197 16.649 1.00 60.24 H new ATOM 0 HA THR A 111 -19.212 4.307 19.119 1.00 13.25 H new ATOM 0 HB THR A 111 -18.893 2.671 16.592 1.00 12.33 H new ATOM 0 HG1 THR A 111 -20.950 3.387 16.092 1.00 62.41 H new ATOM 0 HG21 THR A 111 -20.741 1.270 17.549 1.00 12.43 H new ATOM 0 HG22 THR A 111 -19.302 1.249 18.597 1.00 12.43 H new ATOM 0 HG23 THR A 111 -20.706 2.253 19.032 1.00 12.43 H new ATOM 1753 N MET A 112 -16.456 2.715 17.991 1.00 71.14 N ATOM 1754 CA MET A 112 -15.320 1.921 18.435 1.00 51.24 C ATOM 1755 C MET A 112 -14.485 2.586 19.524 1.00 71.53 C ATOM 1756 O MET A 112 -14.200 1.986 20.555 1.00 22.31 O ATOM 1757 CB MET A 112 -14.356 1.609 17.261 1.00 14.34 C ATOM 1758 CG MET A 112 -13.245 0.603 17.618 1.00 55.52 C ATOM 1759 SD MET A 112 -13.802 -1.039 18.189 1.00 34.31 S ATOM 1760 CE MET A 112 -14.705 -1.579 16.710 1.00 22.31 C ATOM 0 H MET A 112 -16.395 3.022 17.020 1.00 71.14 H new ATOM 0 HA MET A 112 -15.771 1.015 18.839 1.00 51.24 H new ATOM 0 HB2 MET A 112 -14.933 1.216 16.424 1.00 14.34 H new ATOM 0 HB3 MET A 112 -13.897 2.538 16.924 1.00 14.34 H new ATOM 0 HG2 MET A 112 -12.612 0.465 16.741 1.00 55.52 H new ATOM 0 HG3 MET A 112 -12.621 1.043 18.395 1.00 55.52 H new ATOM 0 HE1 MET A 112 -14.950 -2.637 16.800 1.00 22.31 H new ATOM 0 HE2 MET A 112 -15.624 -1.001 16.613 1.00 22.31 H new ATOM 0 HE3 MET A 112 -14.084 -1.424 15.828 1.00 22.31 H new ATOM 1770 N LEU A 113 -14.092 3.864 19.328 1.00 10.44 N ATOM 1771 CA LEU A 113 -13.239 4.623 20.237 1.00 33.43 C ATOM 1772 C LEU A 113 -13.908 4.900 21.559 1.00 45.13 C ATOM 1773 O LEU A 113 -13.332 4.660 22.620 1.00 23.33 O ATOM 1774 CB LEU A 113 -12.844 5.916 19.505 1.00 15.50 C ATOM 1775 CG LEU A 113 -11.720 6.855 20.006 1.00 70.21 C ATOM 1776 CD1 LEU A 113 -12.014 8.317 19.619 1.00 71.53 C ATOM 1777 CD2 LEU A 113 -11.171 6.699 21.424 1.00 1.42 C ATOM 0 H LEU A 113 -14.373 4.401 18.507 1.00 10.44 H new ATOM 0 HA LEU A 113 -12.352 4.043 20.492 1.00 33.43 H new ATOM 0 HB2 LEU A 113 -12.577 5.627 18.488 1.00 15.50 H new ATOM 0 HB3 LEU A 113 -13.747 6.522 19.437 1.00 15.50 H new ATOM 0 HG LEU A 113 -10.854 6.482 19.458 1.00 70.21 H new ATOM 0 HD11 LEU A 113 -11.210 8.958 19.982 1.00 71.53 H new ATOM 0 HD12 LEU A 113 -12.082 8.400 18.534 1.00 71.53 H new ATOM 0 HD13 LEU A 113 -12.957 8.629 20.067 1.00 71.53 H new ATOM 0 HD21 LEU A 113 -10.392 7.442 21.596 1.00 1.42 H new ATOM 0 HD22 LEU A 113 -11.976 6.844 22.144 1.00 1.42 H new ATOM 0 HD23 LEU A 113 -10.753 5.700 21.544 1.00 1.42 H new ATOM 1789 N ASN A 114 -15.188 5.336 21.518 1.00 65.31 N ATOM 1790 CA ASN A 114 -15.991 5.601 22.705 1.00 53.42 C ATOM 1791 C ASN A 114 -16.177 4.316 23.492 1.00 71.32 C ATOM 1792 O ASN A 114 -16.067 4.301 24.717 1.00 2.43 O ATOM 1793 CB ASN A 114 -17.415 6.149 22.415 1.00 61.44 C ATOM 1794 CG ASN A 114 -17.389 7.565 21.842 1.00 44.34 C ATOM 1795 OD1 ASN A 114 -16.446 8.340 22.005 1.00 65.31 O ATOM 1796 ND2 ASN A 114 -18.501 7.922 21.144 1.00 45.11 N ATOM 0 H ASN A 114 -15.685 5.511 20.645 1.00 65.31 H new ATOM 0 HA ASN A 114 -15.438 6.365 23.251 1.00 53.42 H new ATOM 0 HB2 ASN A 114 -17.921 5.485 21.714 1.00 61.44 H new ATOM 0 HB3 ASN A 114 -17.998 6.143 23.336 1.00 61.44 H new ATOM 0 HD21 ASN A 114 -18.571 8.855 20.738 1.00 45.11 H new ATOM 0 HD22 ASN A 114 -19.265 7.257 21.027 1.00 45.11 H new ATOM 1803 N LEU A 115 -16.431 3.181 22.794 1.00 52.30 N ATOM 1804 CA LEU A 115 -16.518 1.882 23.419 1.00 13.10 C ATOM 1805 C LEU A 115 -15.227 1.462 24.045 1.00 72.01 C ATOM 1806 O LEU A 115 -15.201 0.998 25.176 1.00 2.21 O ATOM 1807 CB LEU A 115 -16.916 0.792 22.407 1.00 33.00 C ATOM 1808 CG LEU A 115 -17.035 -0.629 22.990 1.00 41.34 C ATOM 1809 CD1 LEU A 115 -15.740 -1.446 23.057 1.00 2.10 C ATOM 1810 CD2 LEU A 115 -17.854 -0.671 24.269 1.00 4.12 C ATOM 0 H LEU A 115 -16.578 3.164 21.785 1.00 52.30 H new ATOM 0 HA LEU A 115 -17.282 1.985 24.190 1.00 13.10 H new ATOM 0 HB2 LEU A 115 -17.871 1.065 21.959 1.00 33.00 H new ATOM 0 HB3 LEU A 115 -16.180 0.778 21.603 1.00 33.00 H new ATOM 0 HG LEU A 115 -17.606 -1.168 22.234 1.00 41.34 H new ATOM 0 HD11 LEU A 115 -15.950 -2.426 23.484 1.00 2.10 H new ATOM 0 HD12 LEU A 115 -15.334 -1.567 22.053 1.00 2.10 H new ATOM 0 HD13 LEU A 115 -15.014 -0.926 23.682 1.00 2.10 H new ATOM 0 HD21 LEU A 115 -17.905 -1.696 24.635 1.00 4.12 H new ATOM 0 HD22 LEU A 115 -17.384 -0.039 25.023 1.00 4.12 H new ATOM 0 HD23 LEU A 115 -18.862 -0.307 24.068 1.00 4.12 H new ATOM 1822 N ALA A 116 -14.119 1.633 23.312 1.00 63.45 N ATOM 1823 CA ALA A 116 -12.795 1.193 23.693 1.00 52.43 C ATOM 1824 C ALA A 116 -12.348 1.893 24.950 1.00 13.52 C ATOM 1825 O ALA A 116 -11.789 1.284 25.862 1.00 32.34 O ATOM 1826 CB ALA A 116 -11.769 1.448 22.572 1.00 4.42 C ATOM 0 H ALA A 116 -14.134 2.100 22.406 1.00 63.45 H new ATOM 0 HA ALA A 116 -12.849 0.119 23.873 1.00 52.43 H new ATOM 0 HB1 ALA A 116 -10.786 1.105 22.894 1.00 4.42 H new ATOM 0 HB2 ALA A 116 -12.067 0.905 21.675 1.00 4.42 H new ATOM 0 HB3 ALA A 116 -11.727 2.515 22.353 1.00 4.42 H new ATOM 1832 N MET A 117 -12.619 3.218 25.025 1.00 51.43 N ATOM 1833 CA MET A 117 -12.272 4.006 26.176 1.00 52.45 C ATOM 1834 C MET A 117 -13.214 3.698 27.352 1.00 12.44 C ATOM 1835 O MET A 117 -12.784 3.765 28.499 1.00 24.22 O ATOM 1836 CB MET A 117 -12.183 5.518 25.777 1.00 43.04 C ATOM 1837 CG MET A 117 -13.517 6.245 25.554 1.00 53.53 C ATOM 1838 SD MET A 117 -13.359 7.973 24.991 1.00 42.41 S ATOM 1839 CE MET A 117 -12.525 8.655 26.454 1.00 13.31 C ATOM 0 H MET A 117 -13.081 3.744 24.283 1.00 51.43 H new ATOM 0 HA MET A 117 -11.280 3.736 26.538 1.00 52.45 H new ATOM 0 HB2 MET A 117 -11.633 6.045 26.556 1.00 43.04 H new ATOM 0 HB3 MET A 117 -11.594 5.596 24.863 1.00 43.04 H new ATOM 0 HG2 MET A 117 -14.099 5.690 24.819 1.00 53.53 H new ATOM 0 HG3 MET A 117 -14.083 6.231 26.485 1.00 53.53 H new ATOM 0 HE1 MET A 117 -12.590 9.743 26.436 1.00 13.31 H new ATOM 0 HE2 MET A 117 -13.006 8.277 27.356 1.00 13.31 H new ATOM 0 HE3 MET A 117 -11.477 8.354 26.449 1.00 13.31 H new ATOM 1849 N CYS A 118 -14.498 3.287 27.110 1.00 25.24 N ATOM 1850 CA CYS A 118 -15.374 2.706 28.146 1.00 33.42 C ATOM 1851 C CYS A 118 -14.934 1.323 28.608 1.00 12.22 C ATOM 1852 O CYS A 118 -14.836 1.056 29.804 1.00 1.14 O ATOM 1853 CB CYS A 118 -16.862 2.610 27.694 1.00 63.43 C ATOM 1854 SG CYS A 118 -18.063 1.984 28.947 1.00 4.11 S ATOM 0 H CYS A 118 -14.940 3.354 26.193 1.00 25.24 H new ATOM 0 HA CYS A 118 -15.286 3.403 28.979 1.00 33.42 H new ATOM 0 HB2 CYS A 118 -17.186 3.601 27.375 1.00 63.43 H new ATOM 0 HB3 CYS A 118 -16.912 1.961 26.819 1.00 63.43 H new ATOM 1859 N PHE A 119 -14.603 0.409 27.667 1.00 35.21 N ATOM 1860 CA PHE A 119 -14.041 -0.897 27.968 1.00 43.43 C ATOM 1861 C PHE A 119 -12.791 -0.880 28.815 1.00 15.30 C ATOM 1862 O PHE A 119 -12.697 -1.596 29.814 1.00 24.40 O ATOM 1863 CB PHE A 119 -13.739 -1.584 26.616 1.00 50.30 C ATOM 1864 CG PHE A 119 -12.983 -2.887 26.711 1.00 70.42 C ATOM 1865 CD1 PHE A 119 -11.581 -2.841 26.576 1.00 52.12 C ATOM 1866 CD2 PHE A 119 -13.599 -4.110 27.006 1.00 11.43 C ATOM 1867 CE1 PHE A 119 -10.808 -3.992 26.734 1.00 4.13 C ATOM 1868 CE2 PHE A 119 -12.822 -5.264 27.171 1.00 45.22 C ATOM 1869 CZ PHE A 119 -11.430 -5.206 27.037 1.00 62.31 C ATOM 0 H PHE A 119 -14.726 0.575 26.668 1.00 35.21 H new ATOM 0 HA PHE A 119 -14.775 -1.434 28.568 1.00 43.43 H new ATOM 0 HB2 PHE A 119 -14.682 -1.767 26.101 1.00 50.30 H new ATOM 0 HB3 PHE A 119 -13.166 -0.894 25.996 1.00 50.30 H new ATOM 0 HD1 PHE A 119 -11.098 -1.902 26.347 1.00 52.12 H new ATOM 0 HD2 PHE A 119 -14.673 -4.163 27.106 1.00 11.43 H new ATOM 0 HE1 PHE A 119 -9.735 -3.945 26.623 1.00 4.13 H new ATOM 0 HE2 PHE A 119 -13.300 -6.204 27.403 1.00 45.22 H new ATOM 0 HZ PHE A 119 -10.837 -6.099 27.168 1.00 62.31 H new ATOM 1879 N LYS A 120 -11.813 -0.027 28.454 1.00 22.12 N ATOM 1880 CA LYS A 120 -10.597 0.142 29.192 1.00 1.13 C ATOM 1881 C LYS A 120 -10.848 0.673 30.586 1.00 74.45 C ATOM 1882 O LYS A 120 -10.130 0.362 31.534 1.00 72.51 O ATOM 1883 CB LYS A 120 -9.653 1.065 28.382 1.00 30.21 C ATOM 1884 CG LYS A 120 -8.299 1.405 29.024 1.00 4.22 C ATOM 1885 CD LYS A 120 -7.362 0.213 29.282 1.00 32.30 C ATOM 1886 CE LYS A 120 -6.090 0.567 30.063 1.00 31.30 C ATOM 1887 NZ LYS A 120 -5.278 1.549 29.322 1.00 34.31 N ATOM 0 H LYS A 120 -11.870 0.563 27.624 1.00 22.12 H new ATOM 0 HA LYS A 120 -10.122 -0.829 29.329 1.00 1.13 H new ATOM 0 HB2 LYS A 120 -9.463 0.594 27.417 1.00 30.21 H new ATOM 0 HB3 LYS A 120 -10.179 1.999 28.183 1.00 30.21 H new ATOM 0 HG2 LYS A 120 -7.782 2.117 28.381 1.00 4.22 H new ATOM 0 HG3 LYS A 120 -8.484 1.909 29.973 1.00 4.22 H new ATOM 0 HD2 LYS A 120 -7.910 -0.553 29.831 1.00 32.30 H new ATOM 0 HD3 LYS A 120 -7.077 -0.224 28.325 1.00 32.30 H new ATOM 0 HE2 LYS A 120 -6.358 0.972 31.039 1.00 31.30 H new ATOM 0 HE3 LYS A 120 -5.505 -0.335 30.242 1.00 31.30 H new ATOM 0 HZ1 LYS A 120 -4.292 1.501 29.649 1.00 34.31 H new ATOM 0 HZ2 LYS A 120 -5.317 1.335 28.305 1.00 34.31 H new ATOM 0 HZ3 LYS A 120 -5.652 2.505 29.489 1.00 34.31 H new ATOM 1901 N ALA A 121 -11.919 1.478 30.734 1.00 65.44 N ATOM 1902 CA ALA A 121 -12.295 2.086 31.997 1.00 20.51 C ATOM 1903 C ALA A 121 -12.631 1.041 33.054 1.00 61.04 C ATOM 1904 O ALA A 121 -12.212 1.111 34.207 1.00 23.32 O ATOM 1905 CB ALA A 121 -13.508 3.014 31.780 1.00 5.13 C ATOM 0 H ALA A 121 -12.544 1.718 29.965 1.00 65.44 H new ATOM 0 HA ALA A 121 -11.442 2.660 32.359 1.00 20.51 H new ATOM 0 HB1 ALA A 121 -13.791 3.471 32.728 1.00 5.13 H new ATOM 0 HB2 ALA A 121 -13.246 3.794 31.065 1.00 5.13 H new ATOM 0 HB3 ALA A 121 -14.345 2.434 31.393 1.00 5.13 H new ATOM 1911 N GLU A 122 -13.398 0.018 32.635 1.00 31.04 N ATOM 1912 CA GLU A 122 -13.759 -1.134 33.423 1.00 42.45 C ATOM 1913 C GLU A 122 -12.594 -2.068 33.760 1.00 55.11 C ATOM 1914 O GLU A 122 -12.413 -2.400 34.924 1.00 65.45 O ATOM 1915 CB GLU A 122 -14.896 -1.863 32.671 1.00 25.51 C ATOM 1916 CG GLU A 122 -16.238 -1.077 32.662 1.00 22.24 C ATOM 1917 CD GLU A 122 -16.921 -1.029 34.030 1.00 22.35 C ATOM 1918 OE1 GLU A 122 -16.999 0.083 34.613 1.00 62.13 O ATOM 1919 OE2 GLU A 122 -17.393 -2.105 34.480 1.00 13.34 O ATOM 0 H GLU A 122 -13.791 -0.012 31.694 1.00 31.04 H new ATOM 0 HA GLU A 122 -14.092 -0.793 34.403 1.00 42.45 H new ATOM 0 HB2 GLU A 122 -14.583 -2.044 31.643 1.00 25.51 H new ATOM 0 HB3 GLU A 122 -15.058 -2.838 33.131 1.00 25.51 H new ATOM 0 HG2 GLU A 122 -16.052 -0.059 32.321 1.00 22.24 H new ATOM 0 HG3 GLU A 122 -16.915 -1.536 31.942 1.00 22.24 H new ATOM 1926 N ILE A 123 -11.699 -2.470 32.822 1.00 5.44 N ATOM 1927 CA ILE A 123 -10.506 -3.235 33.158 1.00 13.42 C ATOM 1928 C ILE A 123 -9.462 -2.494 33.976 1.00 63.55 C ATOM 1929 O ILE A 123 -8.663 -3.124 34.662 1.00 22.03 O ATOM 1930 CB ILE A 123 -9.887 -3.881 31.932 1.00 65.31 C ATOM 1931 CG1 ILE A 123 -9.450 -2.827 30.915 1.00 42.43 C ATOM 1932 CG2 ILE A 123 -10.887 -4.870 31.296 1.00 22.32 C ATOM 1933 CD1 ILE A 123 -8.738 -3.344 29.671 1.00 72.42 C ATOM 0 H ILE A 123 -11.796 -2.268 31.827 1.00 5.44 H new ATOM 0 HA ILE A 123 -10.873 -4.016 33.823 1.00 13.42 H new ATOM 0 HB ILE A 123 -8.998 -4.429 32.243 1.00 65.31 H new ATOM 0 HG12 ILE A 123 -10.332 -2.271 30.598 1.00 42.43 H new ATOM 0 HG13 ILE A 123 -8.791 -2.119 31.417 1.00 42.43 H new ATOM 0 HG21 ILE A 123 -10.435 -5.329 30.417 1.00 22.32 H new ATOM 0 HG22 ILE A 123 -11.143 -5.644 32.019 1.00 22.32 H new ATOM 0 HG23 ILE A 123 -11.790 -4.336 31.002 1.00 22.32 H new ATOM 0 HD11 ILE A 123 -8.478 -2.505 29.026 1.00 72.42 H new ATOM 0 HD12 ILE A 123 -7.830 -3.872 29.964 1.00 72.42 H new ATOM 0 HD13 ILE A 123 -9.396 -4.026 29.132 1.00 72.42 H new ATOM 1945 N HIS A 124 -9.472 -1.140 33.978 1.00 53.24 N ATOM 1946 CA HIS A 124 -8.694 -0.320 34.894 1.00 55.41 C ATOM 1947 C HIS A 124 -9.120 -0.547 36.345 1.00 23.41 C ATOM 1948 O HIS A 124 -8.290 -0.505 37.253 1.00 31.02 O ATOM 1949 CB HIS A 124 -8.812 1.195 34.550 1.00 3.43 C ATOM 1950 CG HIS A 124 -7.820 2.120 35.221 1.00 63.42 C ATOM 1951 ND1 HIS A 124 -7.330 1.923 36.483 1.00 72.34 N ATOM 1952 CD2 HIS A 124 -7.265 3.265 34.764 1.00 72.13 C ATOM 1953 CE1 HIS A 124 -6.508 2.909 36.785 1.00 55.22 C ATOM 1954 NE2 HIS A 124 -6.451 3.739 35.759 1.00 61.20 N ATOM 0 H HIS A 124 -10.035 -0.593 33.327 1.00 53.24 H new ATOM 0 HA HIS A 124 -7.654 -0.625 34.779 1.00 55.41 H new ATOM 0 HB2 HIS A 124 -8.708 1.309 33.471 1.00 3.43 H new ATOM 0 HB3 HIS A 124 -9.817 1.526 34.810 1.00 3.43 H new ATOM 0 HD1 HIS A 124 -7.563 1.139 37.093 1.00 72.34 H new ATOM 0 HD2 HIS A 124 -7.432 3.719 33.799 1.00 72.13 H new ATOM 0 HE1 HIS A 124 -5.971 3.019 37.716 1.00 55.22 H new ATOM 1963 N LYS A 125 -10.442 -0.710 36.602 1.00 11.23 N ATOM 1964 CA LYS A 125 -10.990 -0.823 37.945 1.00 51.22 C ATOM 1965 C LYS A 125 -10.762 -2.198 38.573 1.00 21.12 C ATOM 1966 O LYS A 125 -10.734 -2.352 39.793 1.00 75.13 O ATOM 1967 CB LYS A 125 -12.501 -0.444 37.955 1.00 70.22 C ATOM 1968 CG LYS A 125 -13.544 -1.575 37.886 1.00 15.04 C ATOM 1969 CD LYS A 125 -14.986 -1.040 37.827 1.00 75.20 C ATOM 1970 CE LYS A 125 -16.059 -2.129 37.730 1.00 51.43 C ATOM 1971 NZ LYS A 125 -16.131 -2.900 38.987 1.00 62.32 N ATOM 0 H LYS A 125 -11.148 -0.765 35.868 1.00 11.23 H new ATOM 0 HA LYS A 125 -10.445 -0.113 38.566 1.00 51.22 H new ATOM 0 HB2 LYS A 125 -12.693 0.129 38.862 1.00 70.22 H new ATOM 0 HB3 LYS A 125 -12.681 0.224 37.113 1.00 70.22 H new ATOM 0 HG2 LYS A 125 -13.351 -2.190 37.007 1.00 15.04 H new ATOM 0 HG3 LYS A 125 -13.434 -2.221 38.757 1.00 15.04 H new ATOM 0 HD2 LYS A 125 -15.175 -0.439 38.716 1.00 75.20 H new ATOM 0 HD3 LYS A 125 -15.080 -0.376 36.968 1.00 75.20 H new ATOM 0 HE2 LYS A 125 -17.027 -1.675 37.519 1.00 51.43 H new ATOM 0 HE3 LYS A 125 -15.833 -2.797 36.899 1.00 51.43 H new ATOM 0 HZ1 LYS A 125 -16.897 -3.600 38.922 1.00 62.32 H new ATOM 0 HZ2 LYS A 125 -15.227 -3.390 39.146 1.00 62.32 H new ATOM 0 HZ3 LYS A 125 -16.319 -2.254 39.780 1.00 62.32 H new ATOM 1985 N LEU A 126 -10.619 -3.234 37.718 1.00 25.01 N ATOM 1986 CA LEU A 126 -10.457 -4.636 38.063 1.00 2.41 C ATOM 1987 C LEU A 126 -9.150 -4.976 38.763 1.00 15.31 C ATOM 1988 O LEU A 126 -8.121 -4.324 38.620 1.00 72.42 O ATOM 1989 CB LEU A 126 -10.595 -5.539 36.806 1.00 63.13 C ATOM 1990 CG LEU A 126 -12.008 -5.512 36.181 1.00 13.34 C ATOM 1991 CD1 LEU A 126 -12.011 -6.043 34.742 1.00 11.51 C ATOM 1992 CD2 LEU A 126 -13.030 -6.291 37.020 1.00 13.32 C ATOM 0 H LEU A 126 -10.615 -3.089 36.708 1.00 25.01 H new ATOM 0 HA LEU A 126 -11.258 -4.831 38.776 1.00 2.41 H new ATOM 0 HB2 LEU A 126 -9.869 -5.220 36.058 1.00 63.13 H new ATOM 0 HB3 LEU A 126 -10.345 -6.565 37.076 1.00 63.13 H new ATOM 0 HG LEU A 126 -12.305 -4.463 36.165 1.00 13.34 H new ATOM 0 HD11 LEU A 126 -13.024 -6.006 34.343 1.00 11.51 H new ATOM 0 HD12 LEU A 126 -11.355 -5.428 34.126 1.00 11.51 H new ATOM 0 HD13 LEU A 126 -11.655 -7.073 34.734 1.00 11.51 H new ATOM 0 HD21 LEU A 126 -14.007 -6.243 36.540 1.00 13.32 H new ATOM 0 HD22 LEU A 126 -12.717 -7.332 37.101 1.00 13.32 H new ATOM 0 HD23 LEU A 126 -13.093 -5.853 38.016 1.00 13.32 H new ATOM 2004 N ASP A 127 -9.191 -6.061 39.570 1.00 34.03 N ATOM 2005 CA ASP A 127 -8.078 -6.528 40.376 1.00 41.14 C ATOM 2006 C ASP A 127 -7.136 -7.434 39.575 1.00 54.13 C ATOM 2007 O ASP A 127 -6.133 -7.907 40.100 1.00 2.11 O ATOM 2008 CB ASP A 127 -8.651 -7.249 41.634 1.00 55.24 C ATOM 2009 CG ASP A 127 -7.598 -7.559 42.700 1.00 23.14 C ATOM 2010 OD1 ASP A 127 -7.453 -8.759 43.048 1.00 0.21 O ATOM 2011 OD2 ASP A 127 -6.969 -6.590 43.198 1.00 51.21 O ATOM 0 H ASP A 127 -10.026 -6.638 39.669 1.00 34.03 H new ATOM 0 HA ASP A 127 -7.474 -5.677 40.691 1.00 41.14 H new ATOM 0 HB2 ASP A 127 -9.429 -6.626 42.075 1.00 55.24 H new ATOM 0 HB3 ASP A 127 -9.125 -8.180 41.323 1.00 55.24 H new ATOM 2016 N TRP A 128 -7.435 -7.687 38.282 1.00 54.43 N ATOM 2017 CA TRP A 128 -6.579 -8.456 37.398 1.00 2.13 C ATOM 2018 C TRP A 128 -6.384 -7.630 36.142 1.00 34.04 C ATOM 2019 O TRP A 128 -7.225 -6.796 35.810 1.00 10.51 O ATOM 2020 CB TRP A 128 -7.171 -9.852 37.031 1.00 0.34 C ATOM 2021 CG TRP A 128 -8.471 -9.783 36.253 1.00 34.02 C ATOM 2022 CD1 TRP A 128 -9.690 -9.404 36.723 1.00 12.23 C ATOM 2023 CD2 TRP A 128 -8.609 -9.956 34.833 1.00 45.34 C ATOM 2024 NE1 TRP A 128 -10.580 -9.267 35.682 1.00 1.23 N ATOM 2025 CE2 TRP A 128 -9.936 -9.604 34.508 1.00 3.43 C ATOM 2026 CE3 TRP A 128 -7.705 -10.353 33.851 1.00 43.24 C ATOM 2027 CZ2 TRP A 128 -10.375 -9.622 33.189 1.00 42.24 C ATOM 2028 CZ3 TRP A 128 -8.164 -10.420 32.528 1.00 60.21 C ATOM 2029 CH2 TRP A 128 -9.473 -10.041 32.197 1.00 50.43 C ATOM 0 H TRP A 128 -8.288 -7.353 37.834 1.00 54.43 H new ATOM 0 HA TRP A 128 -5.637 -8.658 37.907 1.00 2.13 H new ATOM 0 HB2 TRP A 128 -6.437 -10.404 36.444 1.00 0.34 H new ATOM 0 HB3 TRP A 128 -7.337 -10.418 37.948 1.00 0.34 H new ATOM 0 HD1 TRP A 128 -9.926 -9.235 37.763 1.00 12.23 H new ATOM 0 HE1 TRP A 128 -11.551 -8.967 35.764 1.00 1.23 H new ATOM 0 HE3 TRP A 128 -6.684 -10.601 34.100 1.00 43.24 H new ATOM 0 HZ2 TRP A 128 -11.381 -9.322 32.934 1.00 42.24 H new ATOM 0 HZ3 TRP A 128 -7.499 -10.769 31.752 1.00 60.21 H new ATOM 0 HH2 TRP A 128 -9.792 -10.072 31.166 1.00 50.43 H new ATOM 2040 N ALA A 129 -5.267 -7.841 35.417 1.00 73.40 N ATOM 2041 CA ALA A 129 -4.985 -7.107 34.206 1.00 3.33 C ATOM 2042 C ALA A 129 -4.993 -8.035 32.995 1.00 44.43 C ATOM 2043 O ALA A 129 -4.179 -8.960 32.960 1.00 34.00 O ATOM 2044 CB ALA A 129 -3.615 -6.414 34.310 1.00 61.13 C ATOM 0 H ALA A 129 -4.551 -8.523 35.667 1.00 73.40 H new ATOM 0 HA ALA A 129 -5.764 -6.355 34.079 1.00 3.33 H new ATOM 0 HB1 ALA A 129 -3.415 -5.864 33.390 1.00 61.13 H new ATOM 0 HB2 ALA A 129 -3.620 -5.722 35.153 1.00 61.13 H new ATOM 0 HB3 ALA A 129 -2.838 -7.164 34.461 1.00 61.13 H new ATOM 2050 N PRO A 130 -5.839 -7.871 31.973 1.00 75.22 N ATOM 2051 CA PRO A 130 -5.579 -8.421 30.643 1.00 41.11 C ATOM 2052 C PRO A 130 -4.422 -7.666 30.005 1.00 2.52 C ATOM 2053 O PRO A 130 -4.201 -6.492 30.301 1.00 51.44 O ATOM 2054 CB PRO A 130 -6.900 -8.179 29.899 1.00 23.52 C ATOM 2055 CG PRO A 130 -7.481 -6.922 30.549 1.00 65.15 C ATOM 2056 CD PRO A 130 -7.057 -7.051 32.010 1.00 61.20 C ATOM 0 HA PRO A 130 -5.295 -9.473 30.637 1.00 41.11 H new ATOM 0 HB2 PRO A 130 -6.733 -8.033 28.832 1.00 23.52 H new ATOM 0 HB3 PRO A 130 -7.575 -9.028 30.003 1.00 23.52 H new ATOM 0 HG2 PRO A 130 -7.084 -6.014 30.094 1.00 65.15 H new ATOM 0 HG3 PRO A 130 -8.566 -6.882 30.447 1.00 65.15 H new ATOM 0 HD2 PRO A 130 -6.864 -6.074 32.454 1.00 61.20 H new ATOM 0 HD3 PRO A 130 -7.835 -7.525 32.608 1.00 61.20 H new ATOM 2064 N THR A 131 -3.656 -8.331 29.120 1.00 71.13 N ATOM 2065 CA THR A 131 -2.567 -7.717 28.380 1.00 13.12 C ATOM 2066 C THR A 131 -3.169 -7.120 27.125 1.00 64.02 C ATOM 2067 O THR A 131 -4.316 -7.408 26.781 1.00 55.31 O ATOM 2068 CB THR A 131 -1.432 -8.684 28.012 1.00 52.44 C ATOM 2069 OG1 THR A 131 -1.749 -9.625 26.991 1.00 22.01 O ATOM 2070 CG2 THR A 131 -1.117 -9.535 29.252 1.00 32.23 C ATOM 0 H THR A 131 -3.787 -9.319 28.905 1.00 71.13 H new ATOM 0 HA THR A 131 -2.101 -6.966 29.018 1.00 13.12 H new ATOM 0 HB THR A 131 -0.617 -8.054 27.657 1.00 52.44 H new ATOM 0 HG1 THR A 131 -0.972 -10.197 26.820 1.00 22.01 H new ATOM 0 HG21 THR A 131 -0.313 -10.233 29.020 1.00 32.23 H new ATOM 0 HG22 THR A 131 -0.808 -8.885 30.071 1.00 32.23 H new ATOM 0 HG23 THR A 131 -2.006 -10.092 29.547 1.00 32.23 H new ATOM 2078 N LEU A 132 -2.417 -6.297 26.364 1.00 34.22 N ATOM 2079 CA LEU A 132 -2.919 -5.714 25.130 1.00 53.12 C ATOM 2080 C LEU A 132 -3.252 -6.753 24.069 1.00 63.44 C ATOM 2081 O LEU A 132 -4.139 -6.534 23.255 1.00 61.11 O ATOM 2082 CB LEU A 132 -1.965 -4.650 24.515 1.00 21.24 C ATOM 2083 CG LEU A 132 -1.841 -3.312 25.295 1.00 52.03 C ATOM 2084 CD1 LEU A 132 -3.207 -2.646 25.548 1.00 23.42 C ATOM 2085 CD2 LEU A 132 -1.029 -3.409 26.599 1.00 63.54 C ATOM 0 H LEU A 132 -1.460 -6.029 26.594 1.00 34.22 H new ATOM 0 HA LEU A 132 -3.840 -5.216 25.434 1.00 53.12 H new ATOM 0 HB2 LEU A 132 -0.971 -5.090 24.427 1.00 21.24 H new ATOM 0 HB3 LEU A 132 -2.305 -4.427 23.504 1.00 21.24 H new ATOM 0 HG LEU A 132 -1.267 -2.668 24.629 1.00 52.03 H new ATOM 0 HD11 LEU A 132 -3.062 -1.715 26.096 1.00 23.42 H new ATOM 0 HD12 LEU A 132 -3.691 -2.434 24.594 1.00 23.42 H new ATOM 0 HD13 LEU A 132 -3.836 -3.317 26.133 1.00 23.42 H new ATOM 0 HD21 LEU A 132 -0.993 -2.431 27.079 1.00 63.54 H new ATOM 0 HD22 LEU A 132 -1.503 -4.125 27.270 1.00 63.54 H new ATOM 0 HD23 LEU A 132 -0.015 -3.740 26.373 1.00 63.54 H new ATOM 2097 N ASP A 133 -2.601 -7.940 24.075 1.00 43.43 N ATOM 2098 CA ASP A 133 -2.941 -9.030 23.170 1.00 1.52 C ATOM 2099 C ASP A 133 -4.378 -9.523 23.371 1.00 32.25 C ATOM 2100 O ASP A 133 -5.082 -9.804 22.410 1.00 11.31 O ATOM 2101 CB ASP A 133 -1.981 -10.233 23.366 1.00 3.02 C ATOM 2102 CG ASP A 133 -0.570 -9.865 22.934 1.00 2.34 C ATOM 2103 OD1 ASP A 133 0.330 -9.904 23.814 1.00 33.21 O ATOM 2104 OD2 ASP A 133 -0.377 -9.551 21.732 1.00 40.22 O ATOM 0 H ASP A 133 -1.831 -8.155 24.709 1.00 43.43 H new ATOM 0 HA ASP A 133 -2.843 -8.629 22.161 1.00 1.52 H new ATOM 0 HB2 ASP A 133 -1.979 -10.538 24.413 1.00 3.02 H new ATOM 0 HB3 ASP A 133 -2.334 -11.086 22.786 1.00 3.02 H new ATOM 2109 N VAL A 134 -4.831 -9.622 24.635 1.00 63.43 N ATOM 2110 CA VAL A 134 -6.106 -10.193 25.051 1.00 14.34 C ATOM 2111 C VAL A 134 -7.175 -9.155 25.275 1.00 53.40 C ATOM 2112 O VAL A 134 -8.300 -9.337 24.805 1.00 63.45 O ATOM 2113 CB VAL A 134 -5.982 -11.157 26.222 1.00 30.20 C ATOM 2114 CG1 VAL A 134 -4.992 -10.671 27.261 1.00 32.43 C ATOM 2115 CG2 VAL A 134 -7.327 -11.587 26.847 1.00 54.43 C ATOM 0 H VAL A 134 -4.282 -9.286 25.427 1.00 63.43 H new ATOM 0 HA VAL A 134 -6.437 -10.792 24.203 1.00 14.34 H new ATOM 0 HB VAL A 134 -5.577 -12.071 25.788 1.00 30.20 H new ATOM 0 HG11 VAL A 134 -4.938 -11.392 28.077 1.00 32.43 H new ATOM 0 HG12 VAL A 134 -4.008 -10.565 26.804 1.00 32.43 H new ATOM 0 HG13 VAL A 134 -5.317 -9.706 27.650 1.00 32.43 H new ATOM 0 HG21 VAL A 134 -7.141 -12.273 27.673 1.00 54.43 H new ATOM 0 HG22 VAL A 134 -7.854 -10.708 27.217 1.00 54.43 H new ATOM 0 HG23 VAL A 134 -7.936 -12.084 26.092 1.00 54.43 H new ATOM 2125 N ALA A 135 -6.870 -8.017 25.950 1.00 42.12 N ATOM 2126 CA ALA A 135 -7.863 -6.991 26.220 1.00 52.40 C ATOM 2127 C ALA A 135 -8.398 -6.359 24.962 1.00 52.35 C ATOM 2128 O ALA A 135 -9.605 -6.263 24.760 1.00 74.24 O ATOM 2129 CB ALA A 135 -7.306 -5.866 27.121 1.00 64.41 C ATOM 0 H ALA A 135 -5.940 -7.804 26.310 1.00 42.12 H new ATOM 0 HA ALA A 135 -8.672 -7.510 26.735 1.00 52.40 H new ATOM 0 HB1 ALA A 135 -8.083 -5.122 27.296 1.00 64.41 H new ATOM 0 HB2 ALA A 135 -6.986 -6.288 28.074 1.00 64.41 H new ATOM 0 HB3 ALA A 135 -6.455 -5.394 26.630 1.00 64.41 H new ATOM 2135 N VAL A 136 -7.492 -5.967 24.039 1.00 34.12 N ATOM 2136 CA VAL A 136 -7.920 -5.456 22.759 1.00 32.53 C ATOM 2137 C VAL A 136 -8.354 -6.600 21.897 1.00 51.44 C ATOM 2138 O VAL A 136 -9.258 -6.465 21.080 1.00 2.14 O ATOM 2139 CB VAL A 136 -6.894 -4.609 22.008 1.00 12.22 C ATOM 2140 CG1 VAL A 136 -6.046 -3.802 23.010 1.00 33.24 C ATOM 2141 CG2 VAL A 136 -6.067 -5.303 20.901 1.00 12.42 C ATOM 0 H VAL A 136 -6.481 -6.001 24.171 1.00 34.12 H new ATOM 0 HA VAL A 136 -8.741 -4.773 22.978 1.00 32.53 H new ATOM 0 HB VAL A 136 -7.485 -3.924 21.400 1.00 12.22 H new ATOM 0 HG11 VAL A 136 -5.317 -3.200 22.468 1.00 33.24 H new ATOM 0 HG12 VAL A 136 -6.695 -3.148 23.592 1.00 33.24 H new ATOM 0 HG13 VAL A 136 -5.526 -4.486 23.680 1.00 33.24 H new ATOM 0 HG21 VAL A 136 -5.381 -4.583 20.454 1.00 12.42 H new ATOM 0 HG22 VAL A 136 -5.499 -6.126 21.334 1.00 12.42 H new ATOM 0 HG23 VAL A 136 -6.738 -5.689 20.134 1.00 12.42 H new ATOM 2151 N GLY A 137 -7.698 -7.774 22.046 1.00 51.45 N ATOM 2152 CA GLY A 137 -7.928 -8.889 21.146 1.00 2.44 C ATOM 2153 C GLY A 137 -9.338 -9.401 21.163 1.00 50.31 C ATOM 2154 O GLY A 137 -9.898 -9.665 20.106 1.00 41.53 O ATOM 0 H GLY A 137 -7.014 -7.957 22.780 1.00 51.45 H new ATOM 0 HA2 GLY A 137 -7.675 -8.582 20.131 1.00 2.44 H new ATOM 0 HA3 GLY A 137 -7.253 -9.703 21.411 1.00 2.44 H new ATOM 2158 N GLU A 138 -9.974 -9.521 22.355 1.00 2.45 N ATOM 2159 CA GLU A 138 -11.378 -9.892 22.438 1.00 43.45 C ATOM 2160 C GLU A 138 -12.321 -8.866 21.822 1.00 52.41 C ATOM 2161 O GLU A 138 -13.305 -9.231 21.180 1.00 40.14 O ATOM 2162 CB GLU A 138 -11.854 -10.190 23.879 1.00 53.41 C ATOM 2163 CG GLU A 138 -11.041 -11.352 24.483 1.00 44.04 C ATOM 2164 CD GLU A 138 -11.792 -12.091 25.580 1.00 21.05 C ATOM 2165 OE1 GLU A 138 -11.381 -11.974 26.759 1.00 53.15 O ATOM 2166 OE2 GLU A 138 -12.725 -12.850 25.216 1.00 1.13 O ATOM 0 H GLU A 138 -9.526 -9.364 23.258 1.00 2.45 H new ATOM 0 HA GLU A 138 -11.426 -10.809 21.851 1.00 43.45 H new ATOM 0 HB2 GLU A 138 -11.742 -9.299 24.497 1.00 53.41 H new ATOM 0 HB3 GLU A 138 -12.914 -10.443 23.874 1.00 53.41 H new ATOM 0 HG2 GLU A 138 -10.778 -12.055 23.692 1.00 44.04 H new ATOM 0 HG3 GLU A 138 -10.106 -10.963 24.887 1.00 44.04 H new ATOM 2173 N LEU A 139 -12.025 -7.552 21.986 1.00 15.33 N ATOM 2174 CA LEU A 139 -12.762 -6.462 21.380 1.00 74.41 C ATOM 2175 C LEU A 139 -12.691 -6.478 19.905 1.00 1.31 C ATOM 2176 O LEU A 139 -13.702 -6.420 19.207 1.00 50.14 O ATOM 2177 CB LEU A 139 -12.166 -5.073 21.698 1.00 51.45 C ATOM 2178 CG LEU A 139 -12.428 -4.530 23.079 1.00 13.10 C ATOM 2179 CD1 LEU A 139 -11.631 -3.227 23.258 1.00 24.12 C ATOM 2180 CD2 LEU A 139 -13.928 -4.253 23.149 1.00 71.53 C ATOM 0 H LEU A 139 -11.245 -7.235 22.561 1.00 15.33 H new ATOM 0 HA LEU A 139 -13.766 -6.607 21.779 1.00 74.41 H new ATOM 0 HB2 LEU A 139 -11.087 -5.122 21.550 1.00 51.45 H new ATOM 0 HB3 LEU A 139 -12.555 -4.360 20.971 1.00 51.45 H new ATOM 0 HG LEU A 139 -12.126 -5.225 23.863 1.00 13.10 H new ATOM 0 HD11 LEU A 139 -11.812 -2.824 24.254 1.00 24.12 H new ATOM 0 HD12 LEU A 139 -10.567 -3.432 23.137 1.00 24.12 H new ATOM 0 HD13 LEU A 139 -11.948 -2.501 22.509 1.00 24.12 H new ATOM 0 HD21 LEU A 139 -14.179 -3.856 24.132 1.00 71.53 H new ATOM 0 HD22 LEU A 139 -14.200 -3.526 22.384 1.00 71.53 H new ATOM 0 HD23 LEU A 139 -14.477 -5.179 22.981 1.00 71.53 H new ATOM 2192 N LEU A 140 -11.442 -6.559 19.419 1.00 51.42 N ATOM 2193 CA LEU A 140 -11.213 -6.528 18.006 1.00 71.31 C ATOM 2194 C LEU A 140 -11.742 -7.785 17.334 1.00 51.54 C ATOM 2195 O LEU A 140 -12.415 -7.722 16.310 1.00 23.32 O ATOM 2196 CB LEU A 140 -9.722 -6.316 17.657 1.00 52.34 C ATOM 2197 CG LEU A 140 -9.111 -4.955 18.073 1.00 22.25 C ATOM 2198 CD1 LEU A 140 -7.705 -4.807 17.460 1.00 55.03 C ATOM 2199 CD2 LEU A 140 -9.994 -3.720 17.831 1.00 33.00 C ATOM 0 H LEU A 140 -10.602 -6.645 19.991 1.00 51.42 H new ATOM 0 HA LEU A 140 -11.764 -5.670 17.621 1.00 71.31 H new ATOM 0 HB2 LEU A 140 -9.143 -7.110 18.128 1.00 52.34 H new ATOM 0 HB3 LEU A 140 -9.602 -6.431 16.580 1.00 52.34 H new ATOM 0 HG LEU A 140 -9.037 -4.982 19.160 1.00 22.25 H new ATOM 0 HD11 LEU A 140 -7.279 -3.848 17.755 1.00 55.03 H new ATOM 0 HD12 LEU A 140 -7.065 -5.614 17.817 1.00 55.03 H new ATOM 0 HD13 LEU A 140 -7.775 -4.854 16.373 1.00 55.03 H new ATOM 0 HD21 LEU A 140 -9.466 -2.825 18.159 1.00 33.00 H new ATOM 0 HD22 LEU A 140 -10.221 -3.638 16.768 1.00 33.00 H new ATOM 0 HD23 LEU A 140 -10.922 -3.820 18.394 1.00 33.00 H new ATOM 2211 N ALA A 141 -11.525 -8.972 17.940 1.00 74.25 N ATOM 2212 CA ALA A 141 -12.062 -10.216 17.440 1.00 75.13 C ATOM 2213 C ALA A 141 -13.576 -10.268 17.398 1.00 43.31 C ATOM 2214 O ALA A 141 -14.137 -10.879 16.499 1.00 63.22 O ATOM 2215 CB ALA A 141 -11.570 -11.416 18.266 1.00 15.14 C ATOM 0 H ALA A 141 -10.970 -9.074 18.789 1.00 74.25 H new ATOM 0 HA ALA A 141 -11.694 -10.272 16.415 1.00 75.13 H new ATOM 0 HB1 ALA A 141 -11.994 -12.335 17.861 1.00 15.14 H new ATOM 0 HB2 ALA A 141 -10.482 -11.468 18.220 1.00 15.14 H new ATOM 0 HB3 ALA A 141 -11.884 -11.297 19.303 1.00 15.14 H new ATOM 2221 N ASP A 142 -14.289 -9.651 18.361 1.00 63.30 N ATOM 2222 CA ASP A 142 -15.735 -9.607 18.346 1.00 13.04 C ATOM 2223 C ASP A 142 -16.270 -8.361 17.625 1.00 4.05 C ATOM 2224 O ASP A 142 -17.414 -7.970 17.848 1.00 54.15 O ATOM 2225 CB ASP A 142 -16.241 -9.697 19.815 1.00 53.22 C ATOM 2226 CG ASP A 142 -17.729 -10.022 19.941 1.00 25.25 C ATOM 2227 OD1 ASP A 142 -18.439 -9.274 20.660 1.00 10.34 O ATOM 2228 OD2 ASP A 142 -18.150 -11.055 19.356 1.00 14.55 O ATOM 0 H ASP A 142 -13.867 -9.177 19.159 1.00 63.30 H new ATOM 0 HA ASP A 142 -16.117 -10.455 17.778 1.00 13.04 H new ATOM 0 HB2 ASP A 142 -15.667 -10.461 20.340 1.00 53.22 H new ATOM 0 HB3 ASP A 142 -16.043 -8.749 20.315 1.00 53.22 H new ATOM 2233 N THR A 143 -15.494 -7.683 16.737 1.00 32.04 N ATOM 2234 CA THR A 143 -16.020 -6.511 16.017 1.00 12.04 C ATOM 2235 C THR A 143 -17.204 -6.837 15.061 1.00 25.22 C ATOM 2236 O THR A 143 -17.117 -7.862 14.323 1.00 0.00 O ATOM 2237 CB THR A 143 -14.959 -5.722 15.227 1.00 13.41 C ATOM 2238 OG1 THR A 143 -15.503 -4.488 14.781 1.00 63.15 O ATOM 2239 CG2 THR A 143 -14.404 -6.453 13.988 1.00 33.25 C ATOM 2240 OXT THR A 143 -18.213 -6.082 15.080 1.00 0.00 O ATOM 0 H THR A 143 -14.529 -7.926 16.513 1.00 32.04 H new ATOM 0 HA THR A 143 -16.383 -5.883 16.830 1.00 12.04 H new ATOM 0 HB THR A 143 -14.135 -5.586 15.927 1.00 13.41 H new ATOM 0 HG1 THR A 143 -14.822 -3.992 14.281 1.00 63.15 H new ATOM 0 HG21 THR A 143 -13.664 -5.823 13.495 1.00 33.25 H new ATOM 0 HG22 THR A 143 -13.936 -7.388 14.296 1.00 33.25 H new ATOM 0 HG23 THR A 143 -15.219 -6.666 13.296 1.00 33.25 H new TER 2248 THR A 143