USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 728 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 79 ASN : amide:sc= -1.14 X(o=-1.1,f=-0.89) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -169:sc= 0 (180deg=0) USER MOD Set 2.1: A 67 HIS :FLIP no HD1:sc= -0.724 F(o=-3.6,f=-2.9) USER MOD Set 2.2: A 72 THR OG1 : rot 133:sc= -2.15! USER MOD Set 3.1: A 8 LYS NZ :NH3+ -116:sc= -0.218 (180deg=-0.699) USER MOD Set 3.2: A 42 SER OG : rot 130:sc= -1.84 USER MOD Set 4.1: A 6 THR OG1 : rot 118:sc= 0.371 USER MOD Set 4.2: A 38 HIS : no HE2:sc= -0.767 X(o=-0.4,f=-0.33) USER MOD Set 5.1: A 2 THR OG1 : rot 89:sc= -0.908 USER MOD Set 5.2: A 4 ASN :FLIP amide:sc= 1.05 F(o=-2.7,f=0.14) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= 0.581 (180deg=0.421) USER MOD Single : A 3 MET CE :methyl 154:sc= -2.46 (180deg=-5.62!) USER MOD Single : A 7 SER OG : rot -113:sc= 1.18 USER MOD Single : A 9 GLN :FLIP amide:sc= -0.843 F(o=-1.4,f=-0.84) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.162 K(o=-0.16,f=-0.72) USER MOD Single : A 19 HIS : no HD1:sc= -8.53! C(o=-8.5!,f=-8.9!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.464 X(o=-0.46,f=-0.21) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A 33 HIS :FLIP no HD1:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 43 LYS NZ :NH3+ 149:sc= -0.0859 (180deg=-0.742) USER MOD Single : A 46 GLN : amide:sc= -0.578 X(o=-0.58,f=-0.33) USER MOD Single : A 53 THR OG1 : rot -4:sc= 0.872 USER MOD Single : A 55 ASN : amide:sc= -0.417 X(o=-0.42,f=0) USER MOD Single : A 56 THR OG1 : rot 170:sc= 0.0511 USER MOD Single : A 58 ASN : amide:sc= -0.068 X(o=-0.068,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -155:sc= -0.0976 (180deg=-0.481) USER MOD Single : A 71 TYR OH : rot -25:sc= -2.83! USER MOD Single : A 75 ASN : amide:sc= -0.402 X(o=-0.4,f=-0.44) USER MOD Single : A 84 GLN :FLIP amide:sc= -1.39 F(o=-5.7!,f=-1.4) USER MOD Single : A 86 ASN : amide:sc= -0.97 K(o=-0.97,f=-2!) USER MOD Single : A 87 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0981) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 185.047 -0.861 -6.696 1.00 0.00 N ATOM 2 CA MET A 1 185.071 -0.893 -8.181 1.00 0.00 C ATOM 3 C MET A 1 184.467 -2.188 -8.714 1.00 0.00 C ATOM 4 O MET A 1 183.874 -2.210 -9.792 1.00 0.00 O ATOM 5 CB MET A 1 186.522 -0.757 -8.649 1.00 0.00 C ATOM 6 CG MET A 1 186.656 -0.203 -10.059 1.00 0.00 C ATOM 7 SD MET A 1 187.192 1.519 -10.081 1.00 0.00 S ATOM 8 CE MET A 1 186.936 1.929 -11.806 1.00 0.00 C ATOM 0 H1 MET A 1 185.539 -0.009 -6.359 1.00 0.00 H new ATOM 0 H2 MET A 1 184.061 -0.845 -6.365 1.00 0.00 H new ATOM 0 H3 MET A 1 185.524 -1.707 -6.323 1.00 0.00 H new ATOM 0 HA MET A 1 184.472 -0.067 -8.566 1.00 0.00 H new ATOM 0 HB2 MET A 1 187.058 -0.106 -7.959 1.00 0.00 H new ATOM 0 HB3 MET A 1 187.003 -1.734 -8.604 1.00 0.00 H new ATOM 0 HG2 MET A 1 187.370 -0.809 -10.617 1.00 0.00 H new ATOM 0 HG3 MET A 1 185.698 -0.288 -10.571 1.00 0.00 H new ATOM 0 HE1 MET A 1 187.223 2.966 -11.980 1.00 0.00 H new ATOM 0 HE2 MET A 1 187.545 1.275 -12.430 1.00 0.00 H new ATOM 0 HE3 MET A 1 185.884 1.796 -12.059 1.00 0.00 H new ATOM 20 N THR A 2 184.619 -3.266 -7.950 1.00 0.00 N ATOM 21 CA THR A 2 184.086 -4.563 -8.345 1.00 0.00 C ATOM 22 C THR A 2 182.562 -4.578 -8.258 1.00 0.00 C ATOM 23 O THR A 2 181.897 -5.333 -8.966 1.00 0.00 O ATOM 24 CB THR A 2 184.671 -5.668 -7.463 1.00 0.00 C ATOM 25 OG1 THR A 2 184.378 -5.428 -6.098 1.00 0.00 O ATOM 26 CG2 THR A 2 186.173 -5.806 -7.593 1.00 0.00 C ATOM 0 H THR A 2 185.107 -3.266 -7.054 1.00 0.00 H new ATOM 0 HA THR A 2 184.372 -4.744 -9.381 1.00 0.00 H new ATOM 0 HB THR A 2 184.206 -6.591 -7.810 1.00 0.00 H new ATOM 0 HG1 THR A 2 183.522 -5.846 -5.869 1.00 0.00 H new ATOM 0 HG21 THR A 2 186.523 -6.607 -6.941 1.00 0.00 H new ATOM 0 HG22 THR A 2 186.429 -6.041 -8.626 1.00 0.00 H new ATOM 0 HG23 THR A 2 186.651 -4.869 -7.305 1.00 0.00 H new ATOM 34 N MET A 3 182.015 -3.734 -7.386 1.00 0.00 N ATOM 35 CA MET A 3 180.569 -3.647 -7.208 1.00 0.00 C ATOM 36 C MET A 3 180.002 -4.961 -6.677 1.00 0.00 C ATOM 37 O MET A 3 179.365 -5.716 -7.412 1.00 0.00 O ATOM 38 CB MET A 3 179.891 -3.281 -8.530 1.00 0.00 C ATOM 39 CG MET A 3 179.637 -1.791 -8.694 1.00 0.00 C ATOM 40 SD MET A 3 177.929 -1.334 -8.341 1.00 0.00 S ATOM 41 CE MET A 3 177.816 -1.754 -6.605 1.00 0.00 C ATOM 0 H MET A 3 182.551 -3.101 -6.792 1.00 0.00 H new ATOM 0 HA MET A 3 180.367 -2.865 -6.476 1.00 0.00 H new ATOM 0 HB2 MET A 3 180.513 -3.628 -9.355 1.00 0.00 H new ATOM 0 HB3 MET A 3 178.942 -3.812 -8.601 1.00 0.00 H new ATOM 0 HG2 MET A 3 180.301 -1.238 -8.030 1.00 0.00 H new ATOM 0 HG3 MET A 3 179.885 -1.494 -9.713 1.00 0.00 H new ATOM 0 HE1 MET A 3 177.047 -1.143 -6.132 1.00 0.00 H new ATOM 0 HE2 MET A 3 177.557 -2.808 -6.502 1.00 0.00 H new ATOM 0 HE3 MET A 3 178.775 -1.567 -6.122 1.00 0.00 H new ATOM 51 N ASN A 4 180.235 -5.227 -5.396 1.00 0.00 N ATOM 52 CA ASN A 4 179.742 -6.448 -4.769 1.00 0.00 C ATOM 53 C ASN A 4 178.518 -6.157 -3.911 1.00 0.00 C ATOM 54 O ASN A 4 178.530 -5.243 -3.087 1.00 0.00 O ATOM 55 CB ASN A 4 180.839 -7.087 -3.914 1.00 0.00 C ATOM 56 CG ASN A 4 181.773 -7.959 -4.729 1.00 0.00 C ATOM 57 OD1 ASN A 4 182.766 -7.337 -5.355 1.00 0.00 O flip ATOM 58 ND2 ASN A 4 181.608 -9.177 -4.794 1.00 0.00 N flip ATOM 0 H ASN A 4 180.761 -4.615 -4.773 1.00 0.00 H new ATOM 0 HA ASN A 4 179.456 -7.144 -5.558 1.00 0.00 H new ATOM 0 HB2 ASN A 4 181.415 -6.303 -3.422 1.00 0.00 H new ATOM 0 HB3 ASN A 4 180.380 -7.687 -3.128 1.00 0.00 H new ATOM 0 HD21 ASN A 4 180.832 -9.614 -4.297 1.00 0.00 H new ATOM 0 HD22 ASN A 4 182.248 -9.750 -5.345 1.00 0.00 H new ATOM 65 N ILE A 5 177.460 -6.937 -4.108 1.00 0.00 N ATOM 66 CA ILE A 5 176.227 -6.757 -3.348 1.00 0.00 C ATOM 67 C ILE A 5 175.666 -8.096 -2.885 1.00 0.00 C ATOM 68 O ILE A 5 175.372 -8.972 -3.699 1.00 0.00 O ATOM 69 CB ILE A 5 175.158 -6.024 -4.180 1.00 0.00 C ATOM 70 CG1 ILE A 5 175.754 -4.775 -4.830 1.00 0.00 C ATOM 71 CG2 ILE A 5 173.970 -5.658 -3.304 1.00 0.00 C ATOM 72 CD1 ILE A 5 174.758 -3.985 -5.649 1.00 0.00 C ATOM 0 H ILE A 5 177.431 -7.699 -4.786 1.00 0.00 H new ATOM 0 HA ILE A 5 176.477 -6.152 -2.477 1.00 0.00 H new ATOM 0 HB ILE A 5 174.812 -6.690 -4.971 1.00 0.00 H new ATOM 0 HG12 ILE A 5 176.164 -4.131 -4.052 1.00 0.00 H new ATOM 0 HG13 ILE A 5 176.585 -5.070 -5.470 1.00 0.00 H new ATOM 0 HG21 ILE A 5 173.221 -5.140 -3.904 1.00 0.00 H new ATOM 0 HG22 ILE A 5 173.535 -6.565 -2.884 1.00 0.00 H new ATOM 0 HG23 ILE A 5 174.301 -5.006 -2.496 1.00 0.00 H new ATOM 0 HD11 ILE A 5 175.251 -3.113 -6.080 1.00 0.00 H new ATOM 0 HD12 ILE A 5 174.366 -4.613 -6.449 1.00 0.00 H new ATOM 0 HD13 ILE A 5 173.938 -3.659 -5.009 1.00 0.00 H new ATOM 84 N THR A 6 175.519 -8.247 -1.573 1.00 0.00 N ATOM 85 CA THR A 6 174.993 -9.481 -1.002 1.00 0.00 C ATOM 86 C THR A 6 173.974 -9.185 0.095 1.00 0.00 C ATOM 87 O THR A 6 174.323 -9.099 1.274 1.00 0.00 O ATOM 88 CB THR A 6 176.135 -10.334 -0.444 1.00 0.00 C ATOM 89 OG1 THR A 6 177.031 -10.707 -1.475 1.00 0.00 O ATOM 90 CG2 THR A 6 175.664 -11.603 0.234 1.00 0.00 C ATOM 0 H THR A 6 175.756 -7.531 -0.886 1.00 0.00 H new ATOM 0 HA THR A 6 174.490 -10.035 -1.795 1.00 0.00 H new ATOM 0 HB THR A 6 176.625 -9.706 0.300 1.00 0.00 H new ATOM 0 HG1 THR A 6 177.918 -10.336 -1.287 1.00 0.00 H new ATOM 0 HG21 THR A 6 176.525 -12.158 0.605 1.00 0.00 H new ATOM 0 HG22 THR A 6 175.009 -11.349 1.067 1.00 0.00 H new ATOM 0 HG23 THR A 6 175.118 -12.217 -0.482 1.00 0.00 H new ATOM 98 N SER A 7 172.714 -9.034 -0.300 1.00 0.00 N ATOM 99 CA SER A 7 171.642 -8.753 0.650 1.00 0.00 C ATOM 100 C SER A 7 171.174 -10.037 1.327 1.00 0.00 C ATOM 101 O SER A 7 171.341 -11.130 0.789 1.00 0.00 O ATOM 102 CB SER A 7 170.473 -8.072 -0.060 1.00 0.00 C ATOM 103 OG SER A 7 170.697 -6.677 -0.182 1.00 0.00 O ATOM 0 H SER A 7 172.410 -9.101 -1.271 1.00 0.00 H new ATOM 0 HA SER A 7 172.027 -8.081 1.417 1.00 0.00 H new ATOM 0 HB2 SER A 7 170.338 -8.510 -1.049 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.552 -8.249 0.496 1.00 0.00 H new ATOM 0 HG SER A 7 170.054 -6.192 0.377 1.00 0.00 H new ATOM 109 N LYS A 8 170.592 -9.896 2.515 1.00 0.00 N ATOM 110 CA LYS A 8 170.109 -11.047 3.268 1.00 0.00 C ATOM 111 C LYS A 8 168.886 -11.669 2.596 1.00 0.00 C ATOM 112 O LYS A 8 168.999 -12.669 1.887 1.00 0.00 O ATOM 113 CB LYS A 8 169.779 -10.638 4.706 1.00 0.00 C ATOM 114 CG LYS A 8 169.200 -11.767 5.546 1.00 0.00 C ATOM 115 CD LYS A 8 169.954 -11.934 6.856 1.00 0.00 C ATOM 116 CE LYS A 8 169.529 -10.896 7.881 1.00 0.00 C ATOM 117 NZ LYS A 8 170.428 -9.706 7.877 1.00 0.00 N ATOM 0 H LYS A 8 170.444 -8.998 2.975 1.00 0.00 H new ATOM 0 HA LYS A 8 170.900 -11.797 3.288 1.00 0.00 H new ATOM 0 HB2 LYS A 8 170.685 -10.268 5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 8 169.069 -9.811 4.685 1.00 0.00 H new ATOM 0 HG2 LYS A 8 168.149 -11.565 5.754 1.00 0.00 H new ATOM 0 HG3 LYS A 8 169.240 -12.699 4.981 1.00 0.00 H new ATOM 0 HD2 LYS A 8 169.777 -12.933 7.254 1.00 0.00 H new ATOM 0 HD3 LYS A 8 171.025 -11.849 6.674 1.00 0.00 H new ATOM 0 HE2 LYS A 8 168.507 -10.579 7.674 1.00 0.00 H new ATOM 0 HE3 LYS A 8 169.528 -11.346 8.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 170.916 -9.637 8.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 171.131 -9.804 7.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 169.865 -8.846 7.719 1.00 0.00 H new ATOM 131 N GLN A 9 167.716 -11.079 2.825 1.00 0.00 N ATOM 132 CA GLN A 9 166.478 -11.589 2.242 1.00 0.00 C ATOM 133 C GLN A 9 165.821 -10.553 1.331 1.00 0.00 C ATOM 134 O GLN A 9 165.081 -10.904 0.413 1.00 0.00 O ATOM 135 CB GLN A 9 165.503 -12.002 3.346 1.00 0.00 C ATOM 136 CG GLN A 9 165.003 -10.837 4.187 1.00 0.00 C ATOM 137 CD GLN A 9 165.677 -10.763 5.542 1.00 0.00 C ATOM 138 OE1 GLN A 9 166.542 -9.771 5.719 1.00 0.00 O flip ATOM 139 NE2 GLN A 9 165.424 -11.588 6.420 1.00 0.00 N flip ATOM 0 H GLN A 9 167.599 -10.250 3.408 1.00 0.00 H new ATOM 0 HA GLN A 9 166.731 -12.461 1.638 1.00 0.00 H new ATOM 0 HB2 GLN A 9 164.648 -12.506 2.894 1.00 0.00 H new ATOM 0 HB3 GLN A 9 165.992 -12.726 3.998 1.00 0.00 H new ATOM 0 HG2 GLN A 9 165.175 -9.905 3.649 1.00 0.00 H new ATOM 0 HG3 GLN A 9 163.926 -10.930 4.326 1.00 0.00 H new ATOM 0 HE21 GLN A 9 164.752 -12.334 6.240 1.00 0.00 H new ATOM 0 HE22 GLN A 9 165.886 -11.525 7.327 1.00 0.00 H new ATOM 148 N MET A 10 166.087 -9.277 1.594 1.00 0.00 N ATOM 149 CA MET A 10 165.512 -8.200 0.798 1.00 0.00 C ATOM 150 C MET A 10 166.466 -7.758 -0.305 1.00 0.00 C ATOM 151 O MET A 10 167.605 -7.378 -0.038 1.00 0.00 O ATOM 152 CB MET A 10 165.166 -7.007 1.691 1.00 0.00 C ATOM 153 CG MET A 10 164.586 -5.822 0.931 1.00 0.00 C ATOM 154 SD MET A 10 162.805 -5.650 1.161 1.00 0.00 S ATOM 155 CE MET A 10 162.447 -4.317 0.021 1.00 0.00 C ATOM 0 H MET A 10 166.696 -8.965 2.351 1.00 0.00 H new ATOM 0 HA MET A 10 164.602 -8.579 0.333 1.00 0.00 H new ATOM 0 HB2 MET A 10 164.451 -7.327 2.449 1.00 0.00 H new ATOM 0 HB3 MET A 10 166.065 -6.685 2.217 1.00 0.00 H new ATOM 0 HG2 MET A 10 165.080 -4.908 1.260 1.00 0.00 H new ATOM 0 HG3 MET A 10 164.801 -5.937 -0.131 1.00 0.00 H new ATOM 0 HE1 MET A 10 161.381 -4.092 0.047 1.00 0.00 H new ATOM 0 HE2 MET A 10 163.012 -3.430 0.309 1.00 0.00 H new ATOM 0 HE3 MET A 10 162.730 -4.616 -0.988 1.00 0.00 H new ATOM 165 N GLU A 11 165.987 -7.798 -1.543 1.00 0.00 N ATOM 166 CA GLU A 11 166.794 -7.390 -2.684 1.00 0.00 C ATOM 167 C GLU A 11 166.952 -5.874 -2.703 1.00 0.00 C ATOM 168 O GLU A 11 166.459 -5.180 -1.813 1.00 0.00 O ATOM 169 CB GLU A 11 166.153 -7.869 -3.989 1.00 0.00 C ATOM 170 CG GLU A 11 166.835 -9.088 -4.590 1.00 0.00 C ATOM 171 CD GLU A 11 166.084 -10.373 -4.306 1.00 0.00 C ATOM 172 OE1 GLU A 11 165.086 -10.643 -5.007 1.00 0.00 O ATOM 173 OE2 GLU A 11 166.495 -11.110 -3.386 1.00 0.00 O ATOM 0 H GLU A 11 165.045 -8.109 -1.781 1.00 0.00 H new ATOM 0 HA GLU A 11 167.780 -7.845 -2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 11 165.105 -8.104 -3.805 1.00 0.00 H new ATOM 0 HB3 GLU A 11 166.175 -7.056 -4.715 1.00 0.00 H new ATOM 0 HG2 GLU A 11 166.926 -8.955 -5.668 1.00 0.00 H new ATOM 0 HG3 GLU A 11 167.847 -9.167 -4.192 1.00 0.00 H new ATOM 180 N ILE A 12 167.633 -5.363 -3.720 1.00 0.00 N ATOM 181 CA ILE A 12 167.842 -3.923 -3.844 1.00 0.00 C ATOM 182 C ILE A 12 166.889 -3.331 -4.871 1.00 0.00 C ATOM 183 O ILE A 12 167.124 -3.418 -6.076 1.00 0.00 O ATOM 184 CB ILE A 12 169.300 -3.557 -4.232 1.00 0.00 C ATOM 185 CG1 ILE A 12 170.159 -4.809 -4.438 1.00 0.00 C ATOM 186 CG2 ILE A 12 169.920 -2.668 -3.166 1.00 0.00 C ATOM 187 CD1 ILE A 12 170.326 -5.646 -3.189 1.00 0.00 C ATOM 0 H ILE A 12 168.049 -5.918 -4.468 1.00 0.00 H new ATOM 0 HA ILE A 12 167.643 -3.500 -2.859 1.00 0.00 H new ATOM 0 HB ILE A 12 169.266 -3.015 -5.177 1.00 0.00 H new ATOM 0 HG12 ILE A 12 169.709 -5.423 -5.218 1.00 0.00 H new ATOM 0 HG13 ILE A 12 171.143 -4.508 -4.797 1.00 0.00 H new ATOM 0 HG21 ILE A 12 170.942 -2.418 -3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 12 169.336 -1.753 -3.071 1.00 0.00 H new ATOM 0 HG23 ILE A 12 169.927 -3.195 -2.212 1.00 0.00 H new ATOM 0 HD11 ILE A 12 170.946 -6.514 -3.413 1.00 0.00 H new ATOM 0 HD12 ILE A 12 170.805 -5.049 -2.412 1.00 0.00 H new ATOM 0 HD13 ILE A 12 169.348 -5.978 -2.840 1.00 0.00 H new ATOM 199 N THR A 13 165.813 -2.726 -4.386 1.00 0.00 N ATOM 200 CA THR A 13 164.823 -2.115 -5.260 1.00 0.00 C ATOM 201 C THR A 13 165.450 -0.978 -6.056 1.00 0.00 C ATOM 202 O THR A 13 166.469 -0.419 -5.648 1.00 0.00 O ATOM 203 CB THR A 13 163.640 -1.594 -4.440 1.00 0.00 C ATOM 204 OG1 THR A 13 163.994 -0.407 -3.752 1.00 0.00 O ATOM 205 CG2 THR A 13 163.140 -2.587 -3.415 1.00 0.00 C ATOM 0 H THR A 13 165.604 -2.646 -3.391 1.00 0.00 H new ATOM 0 HA THR A 13 164.461 -2.872 -5.956 1.00 0.00 H new ATOM 0 HB THR A 13 162.844 -1.411 -5.162 1.00 0.00 H new ATOM 0 HG1 THR A 13 163.226 -0.087 -3.235 1.00 0.00 H new ATOM 0 HG21 THR A 13 162.301 -2.155 -2.869 1.00 0.00 H new ATOM 0 HG22 THR A 13 162.815 -3.497 -3.919 1.00 0.00 H new ATOM 0 HG23 THR A 13 163.943 -2.826 -2.718 1.00 0.00 H new ATOM 213 N PRO A 14 164.851 -0.610 -7.201 1.00 0.00 N ATOM 214 CA PRO A 14 165.356 0.470 -8.046 1.00 0.00 C ATOM 215 C PRO A 14 165.777 1.682 -7.224 1.00 0.00 C ATOM 216 O PRO A 14 166.778 2.329 -7.523 1.00 0.00 O ATOM 217 CB PRO A 14 164.164 0.818 -8.956 1.00 0.00 C ATOM 218 CG PRO A 14 163.028 -0.045 -8.502 1.00 0.00 C ATOM 219 CD PRO A 14 163.639 -1.204 -7.769 1.00 0.00 C ATOM 0 HA PRO A 14 166.245 0.172 -8.601 1.00 0.00 H new ATOM 0 HB2 PRO A 14 163.907 1.874 -8.875 1.00 0.00 H new ATOM 0 HB3 PRO A 14 164.404 0.628 -10.002 1.00 0.00 H new ATOM 0 HG2 PRO A 14 162.353 0.512 -7.852 1.00 0.00 H new ATOM 0 HG3 PRO A 14 162.440 -0.390 -9.352 1.00 0.00 H new ATOM 0 HD2 PRO A 14 162.975 -1.592 -6.996 1.00 0.00 H new ATOM 0 HD3 PRO A 14 163.868 -2.033 -8.438 1.00 0.00 H new ATOM 227 N ALA A 15 165.010 1.976 -6.181 1.00 0.00 N ATOM 228 CA ALA A 15 165.305 3.105 -5.310 1.00 0.00 C ATOM 229 C ALA A 15 166.600 2.875 -4.536 1.00 0.00 C ATOM 230 O ALA A 15 167.473 3.743 -4.496 1.00 0.00 O ATOM 231 CB ALA A 15 164.150 3.344 -4.350 1.00 0.00 C ATOM 0 H ALA A 15 164.178 1.447 -5.918 1.00 0.00 H new ATOM 0 HA ALA A 15 165.436 3.990 -5.932 1.00 0.00 H new ATOM 0 HB1 ALA A 15 164.383 4.191 -3.704 1.00 0.00 H new ATOM 0 HB2 ALA A 15 163.244 3.558 -4.917 1.00 0.00 H new ATOM 0 HB3 ALA A 15 163.994 2.454 -3.740 1.00 0.00 H new ATOM 237 N ILE A 16 166.716 1.703 -3.920 1.00 0.00 N ATOM 238 CA ILE A 16 167.904 1.360 -3.145 1.00 0.00 C ATOM 239 C ILE A 16 169.119 1.176 -4.047 1.00 0.00 C ATOM 240 O ILE A 16 170.139 1.845 -3.876 1.00 0.00 O ATOM 241 CB ILE A 16 167.689 0.072 -2.324 1.00 0.00 C ATOM 242 CG1 ILE A 16 166.437 0.198 -1.461 1.00 0.00 C ATOM 243 CG2 ILE A 16 168.904 -0.213 -1.452 1.00 0.00 C ATOM 244 CD1 ILE A 16 165.885 -1.132 -0.994 1.00 0.00 C ATOM 0 H ILE A 16 166.002 0.975 -3.942 1.00 0.00 H new ATOM 0 HA ILE A 16 168.084 2.191 -2.464 1.00 0.00 H new ATOM 0 HB ILE A 16 167.556 -0.761 -3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 16 166.667 0.812 -0.590 1.00 0.00 H new ATOM 0 HG13 ILE A 16 165.667 0.723 -2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 16 168.735 -1.125 -0.880 1.00 0.00 H new ATOM 0 HG22 ILE A 16 169.784 -0.338 -2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 16 169.064 0.620 -0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 16 164.996 -0.964 -0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 16 165.623 -1.741 -1.859 1.00 0.00 H new ATOM 0 HD13 ILE A 16 166.638 -1.650 -0.400 1.00 0.00 H new ATOM 256 N ARG A 17 169.007 0.260 -5.004 1.00 0.00 N ATOM 257 CA ARG A 17 170.101 -0.020 -5.929 1.00 0.00 C ATOM 258 C ARG A 17 170.693 1.270 -6.501 1.00 0.00 C ATOM 259 O ARG A 17 171.905 1.374 -6.690 1.00 0.00 O ATOM 260 CB ARG A 17 169.614 -0.931 -7.059 1.00 0.00 C ATOM 261 CG ARG A 17 170.400 -2.228 -7.177 1.00 0.00 C ATOM 262 CD ARG A 17 171.072 -2.367 -8.535 1.00 0.00 C ATOM 263 NE ARG A 17 172.529 -2.384 -8.424 1.00 0.00 N ATOM 264 CZ ARG A 17 173.331 -3.067 -9.239 1.00 0.00 C ATOM 265 NH1 ARG A 17 172.825 -3.784 -10.237 1.00 0.00 N ATOM 266 NH2 ARG A 17 174.644 -3.029 -9.061 1.00 0.00 N ATOM 0 H ARG A 17 168.170 -0.301 -5.160 1.00 0.00 H new ATOM 0 HA ARG A 17 170.890 -0.529 -5.375 1.00 0.00 H new ATOM 0 HB2 ARG A 17 168.562 -1.167 -6.897 1.00 0.00 H new ATOM 0 HB3 ARG A 17 169.677 -0.390 -8.003 1.00 0.00 H new ATOM 0 HG2 ARG A 17 171.156 -2.266 -6.393 1.00 0.00 H new ATOM 0 HG3 ARG A 17 169.731 -3.073 -7.016 1.00 0.00 H new ATOM 0 HD2 ARG A 17 170.734 -3.285 -9.015 1.00 0.00 H new ATOM 0 HD3 ARG A 17 170.767 -1.541 -9.177 1.00 0.00 H new ATOM 0 HE ARG A 17 172.958 -1.839 -7.676 1.00 0.00 H new ATOM 0 HH11 ARG A 17 171.816 -3.814 -10.383 1.00 0.00 H new ATOM 0 HH12 ARG A 17 173.446 -4.304 -10.857 1.00 0.00 H new ATOM 0 HH21 ARG A 17 175.040 -2.477 -8.300 1.00 0.00 H new ATOM 0 HH22 ARG A 17 175.259 -3.552 -9.685 1.00 0.00 H new ATOM 280 N GLN A 18 169.836 2.254 -6.763 1.00 0.00 N ATOM 281 CA GLN A 18 170.294 3.531 -7.302 1.00 0.00 C ATOM 282 C GLN A 18 170.969 4.364 -6.217 1.00 0.00 C ATOM 283 O GLN A 18 172.031 4.946 -6.440 1.00 0.00 O ATOM 284 CB GLN A 18 169.123 4.312 -7.906 1.00 0.00 C ATOM 285 CG GLN A 18 169.408 4.844 -9.303 1.00 0.00 C ATOM 286 CD GLN A 18 168.565 4.168 -10.367 1.00 0.00 C ATOM 287 OE1 GLN A 18 167.400 3.843 -10.140 1.00 0.00 O ATOM 288 NE2 GLN A 18 169.154 3.952 -11.538 1.00 0.00 N ATOM 0 H GLN A 18 168.829 2.193 -6.612 1.00 0.00 H new ATOM 0 HA GLN A 18 171.021 3.324 -8.087 1.00 0.00 H new ATOM 0 HB2 GLN A 18 168.246 3.666 -7.943 1.00 0.00 H new ATOM 0 HB3 GLN A 18 168.876 5.147 -7.250 1.00 0.00 H new ATOM 0 HG2 GLN A 18 169.221 5.918 -9.324 1.00 0.00 H new ATOM 0 HG3 GLN A 18 170.463 4.700 -9.535 1.00 0.00 H new ATOM 0 HE21 GLN A 18 170.122 4.238 -11.682 1.00 0.00 H new ATOM 0 HE22 GLN A 18 168.638 3.500 -12.293 1.00 0.00 H new ATOM 297 N HIS A 19 170.347 4.417 -5.040 1.00 0.00 N ATOM 298 CA HIS A 19 170.891 5.183 -3.919 1.00 0.00 C ATOM 299 C HIS A 19 172.377 4.889 -3.721 1.00 0.00 C ATOM 300 O HIS A 19 173.220 5.769 -3.891 1.00 0.00 O ATOM 301 CB HIS A 19 170.123 4.855 -2.633 1.00 0.00 C ATOM 302 CG HIS A 19 169.475 6.048 -1.996 1.00 0.00 C ATOM 303 ND1 HIS A 19 168.683 6.937 -2.690 1.00 0.00 N ATOM 304 CD2 HIS A 19 169.500 6.493 -0.715 1.00 0.00 C ATOM 305 CE1 HIS A 19 168.250 7.874 -1.865 1.00 0.00 C ATOM 306 NE2 HIS A 19 168.731 7.626 -0.663 1.00 0.00 N ATOM 0 H HIS A 19 169.468 3.940 -4.838 1.00 0.00 H new ATOM 0 HA HIS A 19 170.777 6.242 -4.149 1.00 0.00 H new ATOM 0 HB2 HIS A 19 169.357 4.113 -2.857 1.00 0.00 H new ATOM 0 HB3 HIS A 19 170.808 4.400 -1.918 1.00 0.00 H new ATOM 0 HD2 HIS A 19 170.028 6.039 0.111 1.00 0.00 H new ATOM 0 HE1 HIS A 19 167.610 8.703 -2.131 1.00 0.00 H new ATOM 0 HE2 HIS A 19 168.559 8.187 0.171 1.00 0.00 H new ATOM 315 N VAL A 20 172.687 3.645 -3.361 1.00 0.00 N ATOM 316 CA VAL A 20 174.067 3.229 -3.138 1.00 0.00 C ATOM 317 C VAL A 20 174.899 3.366 -4.408 1.00 0.00 C ATOM 318 O VAL A 20 176.062 3.763 -4.358 1.00 0.00 O ATOM 319 CB VAL A 20 174.139 1.770 -2.643 1.00 0.00 C ATOM 320 CG1 VAL A 20 175.575 1.378 -2.326 1.00 0.00 C ATOM 321 CG2 VAL A 20 173.245 1.576 -1.426 1.00 0.00 C ATOM 0 H VAL A 20 171.998 2.907 -3.218 1.00 0.00 H new ATOM 0 HA VAL A 20 174.475 3.887 -2.371 1.00 0.00 H new ATOM 0 HB VAL A 20 173.780 1.119 -3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 20 175.602 0.345 -1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 20 176.185 1.475 -3.224 1.00 0.00 H new ATOM 0 HG13 VAL A 20 175.968 2.033 -1.548 1.00 0.00 H new ATOM 0 HG21 VAL A 20 173.308 0.541 -1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 20 173.572 2.238 -0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 20 172.214 1.809 -1.691 1.00 0.00 H new ATOM 331 N ALA A 21 174.301 3.031 -5.547 1.00 0.00 N ATOM 332 CA ALA A 21 174.992 3.117 -6.829 1.00 0.00 C ATOM 333 C ALA A 21 175.634 4.489 -7.022 1.00 0.00 C ATOM 334 O ALA A 21 176.817 4.593 -7.348 1.00 0.00 O ATOM 335 CB ALA A 21 174.030 2.818 -7.968 1.00 0.00 C ATOM 0 H ALA A 21 173.339 2.697 -5.608 1.00 0.00 H new ATOM 0 HA ALA A 21 175.787 2.372 -6.833 1.00 0.00 H new ATOM 0 HB1 ALA A 21 174.559 2.886 -8.918 1.00 0.00 H new ATOM 0 HB2 ALA A 21 173.626 1.813 -7.849 1.00 0.00 H new ATOM 0 HB3 ALA A 21 173.214 3.541 -7.955 1.00 0.00 H new ATOM 341 N ASP A 22 174.846 5.539 -6.818 1.00 0.00 N ATOM 342 CA ASP A 22 175.333 6.904 -6.968 1.00 0.00 C ATOM 343 C ASP A 22 176.415 7.218 -5.939 1.00 0.00 C ATOM 344 O ASP A 22 177.565 7.480 -6.293 1.00 0.00 O ATOM 345 CB ASP A 22 174.178 7.898 -6.825 1.00 0.00 C ATOM 346 CG ASP A 22 173.180 7.793 -7.962 1.00 0.00 C ATOM 347 OD1 ASP A 22 173.580 8.005 -9.125 1.00 0.00 O ATOM 348 OD2 ASP A 22 171.998 7.500 -7.686 1.00 0.00 O ATOM 0 H ASP A 22 173.865 5.470 -6.548 1.00 0.00 H new ATOM 0 HA ASP A 22 175.767 6.997 -7.963 1.00 0.00 H new ATOM 0 HB2 ASP A 22 173.666 7.722 -5.879 1.00 0.00 H new ATOM 0 HB3 ASP A 22 174.577 8.912 -6.788 1.00 0.00 H new ATOM 353 N ARG A 23 176.037 7.197 -4.664 1.00 0.00 N ATOM 354 CA ARG A 23 176.974 7.483 -3.582 1.00 0.00 C ATOM 355 C ARG A 23 178.233 6.631 -3.695 1.00 0.00 C ATOM 356 O ARG A 23 179.348 7.138 -3.585 1.00 0.00 O ATOM 357 CB ARG A 23 176.311 7.247 -2.224 1.00 0.00 C ATOM 358 CG ARG A 23 175.586 5.920 -2.120 1.00 0.00 C ATOM 359 CD ARG A 23 174.413 6.004 -1.158 1.00 0.00 C ATOM 360 NE ARG A 23 174.474 4.962 -0.136 1.00 0.00 N ATOM 361 CZ ARG A 23 174.215 5.164 1.153 1.00 0.00 C ATOM 362 NH1 ARG A 23 173.860 6.366 1.591 1.00 0.00 N ATOM 363 NH2 ARG A 23 174.306 4.154 2.007 1.00 0.00 N ATOM 0 H ARG A 23 175.088 6.985 -4.355 1.00 0.00 H new ATOM 0 HA ARG A 23 177.262 8.531 -3.666 1.00 0.00 H new ATOM 0 HB2 ARG A 23 177.072 7.297 -1.445 1.00 0.00 H new ATOM 0 HB3 ARG A 23 175.603 8.053 -2.030 1.00 0.00 H new ATOM 0 HG2 ARG A 23 175.230 5.620 -3.105 1.00 0.00 H new ATOM 0 HG3 ARG A 23 176.280 5.150 -1.784 1.00 0.00 H new ATOM 0 HD2 ARG A 23 174.405 6.983 -0.679 1.00 0.00 H new ATOM 0 HD3 ARG A 23 173.480 5.914 -1.714 1.00 0.00 H new ATOM 0 HE ARG A 23 174.732 4.020 -0.429 1.00 0.00 H new ATOM 0 HH11 ARG A 23 173.784 7.145 0.937 1.00 0.00 H new ATOM 0 HH12 ARG A 23 173.664 6.510 2.581 1.00 0.00 H new ATOM 0 HH21 ARG A 23 174.574 3.228 1.675 1.00 0.00 H new ATOM 0 HH22 ARG A 23 174.109 4.303 2.996 1.00 0.00 H new ATOM 377 N LEU A 24 178.048 5.333 -3.921 1.00 0.00 N ATOM 378 CA LEU A 24 179.173 4.413 -4.050 1.00 0.00 C ATOM 379 C LEU A 24 180.215 4.962 -5.020 1.00 0.00 C ATOM 380 O LEU A 24 181.402 5.029 -4.700 1.00 0.00 O ATOM 381 CB LEU A 24 178.690 3.042 -4.525 1.00 0.00 C ATOM 382 CG LEU A 24 179.783 1.977 -4.644 1.00 0.00 C ATOM 383 CD1 LEU A 24 180.369 1.659 -3.277 1.00 0.00 C ATOM 384 CD2 LEU A 24 179.229 0.719 -5.296 1.00 0.00 C ATOM 0 H LEU A 24 177.132 4.896 -4.018 1.00 0.00 H new ATOM 0 HA LEU A 24 179.635 4.306 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 24 177.927 2.683 -3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 24 178.210 3.159 -5.497 1.00 0.00 H new ATOM 0 HG LEU A 24 180.581 2.369 -5.275 1.00 0.00 H new ATOM 0 HD11 LEU A 24 181.144 0.900 -3.381 1.00 0.00 H new ATOM 0 HD12 LEU A 24 180.801 2.563 -2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 24 179.582 1.286 -2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 24 180.018 -0.029 -5.373 1.00 0.00 H new ATOM 0 HD22 LEU A 24 178.413 0.324 -4.690 1.00 0.00 H new ATOM 0 HD23 LEU A 24 178.858 0.959 -6.292 1.00 0.00 H new ATOM 396 N ALA A 25 179.761 5.366 -6.202 1.00 0.00 N ATOM 397 CA ALA A 25 180.653 5.920 -7.209 1.00 0.00 C ATOM 398 C ALA A 25 181.203 7.269 -6.756 1.00 0.00 C ATOM 399 O ALA A 25 182.356 7.605 -7.027 1.00 0.00 O ATOM 400 CB ALA A 25 179.928 6.061 -8.541 1.00 0.00 C ATOM 0 H ALA A 25 178.782 5.319 -6.484 1.00 0.00 H new ATOM 0 HA ALA A 25 181.491 5.235 -7.341 1.00 0.00 H new ATOM 0 HB1 ALA A 25 180.609 6.477 -9.284 1.00 0.00 H new ATOM 0 HB2 ALA A 25 179.583 5.082 -8.873 1.00 0.00 H new ATOM 0 HB3 ALA A 25 179.072 6.726 -8.421 1.00 0.00 H new ATOM 406 N LYS A 26 180.368 8.034 -6.059 1.00 0.00 N ATOM 407 CA LYS A 26 180.765 9.344 -5.560 1.00 0.00 C ATOM 408 C LYS A 26 181.825 9.210 -4.471 1.00 0.00 C ATOM 409 O LYS A 26 182.713 10.052 -4.349 1.00 0.00 O ATOM 410 CB LYS A 26 179.551 10.094 -5.010 1.00 0.00 C ATOM 411 CG LYS A 26 178.568 10.533 -6.084 1.00 0.00 C ATOM 412 CD LYS A 26 178.394 12.044 -6.104 1.00 0.00 C ATOM 413 CE LYS A 26 177.867 12.562 -4.774 1.00 0.00 C ATOM 414 NZ LYS A 26 176.380 12.649 -4.761 1.00 0.00 N ATOM 0 H LYS A 26 179.411 7.768 -5.827 1.00 0.00 H new ATOM 0 HA LYS A 26 181.187 9.909 -6.391 1.00 0.00 H new ATOM 0 HB2 LYS A 26 179.033 9.455 -4.295 1.00 0.00 H new ATOM 0 HB3 LYS A 26 179.894 10.972 -4.463 1.00 0.00 H new ATOM 0 HG2 LYS A 26 178.919 10.194 -7.059 1.00 0.00 H new ATOM 0 HG3 LYS A 26 177.603 10.058 -5.910 1.00 0.00 H new ATOM 0 HD2 LYS A 26 179.350 12.518 -6.328 1.00 0.00 H new ATOM 0 HD3 LYS A 26 177.706 12.322 -6.902 1.00 0.00 H new ATOM 0 HE2 LYS A 26 178.199 11.904 -3.971 1.00 0.00 H new ATOM 0 HE3 LYS A 26 178.290 13.547 -4.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 176.061 13.006 -3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 176.064 13.297 -5.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 175.976 11.705 -4.926 1.00 0.00 H new ATOM 428 N LEU A 27 181.725 8.143 -3.686 1.00 0.00 N ATOM 429 CA LEU A 27 182.674 7.894 -2.607 1.00 0.00 C ATOM 430 C LEU A 27 184.100 7.778 -3.142 1.00 0.00 C ATOM 431 O LEU A 27 185.065 7.921 -2.393 1.00 0.00 O ATOM 432 CB LEU A 27 182.295 6.619 -1.849 1.00 0.00 C ATOM 433 CG LEU A 27 182.384 6.721 -0.325 1.00 0.00 C ATOM 434 CD1 LEU A 27 181.226 5.983 0.330 1.00 0.00 C ATOM 435 CD2 LEU A 27 183.718 6.177 0.171 1.00 0.00 C ATOM 0 H LEU A 27 180.996 7.436 -3.777 1.00 0.00 H new ATOM 0 HA LEU A 27 182.633 8.742 -1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 27 181.276 6.342 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 27 182.945 5.810 -2.182 1.00 0.00 H new ATOM 0 HG LEU A 27 182.319 7.773 -0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 27 181.307 6.067 1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 27 180.283 6.421 0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 27 181.257 4.931 0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 27 183.763 6.258 1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 27 183.815 5.131 -0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 27 184.532 6.753 -0.270 1.00 0.00 H new ATOM 447 N GLU A 28 184.228 7.522 -4.441 1.00 0.00 N ATOM 448 CA GLU A 28 185.539 7.393 -5.067 1.00 0.00 C ATOM 449 C GLU A 28 186.327 8.699 -4.983 1.00 0.00 C ATOM 450 O GLU A 28 187.539 8.716 -5.199 1.00 0.00 O ATOM 451 CB GLU A 28 185.387 6.967 -6.529 1.00 0.00 C ATOM 452 CG GLU A 28 186.352 5.871 -6.948 1.00 0.00 C ATOM 453 CD GLU A 28 185.780 4.481 -6.746 1.00 0.00 C ATOM 454 OE1 GLU A 28 184.538 4.357 -6.660 1.00 0.00 O ATOM 455 OE2 GLU A 28 186.570 3.518 -6.673 1.00 0.00 O ATOM 0 H GLU A 28 183.441 7.400 -5.079 1.00 0.00 H new ATOM 0 HA GLU A 28 186.094 6.628 -4.525 1.00 0.00 H new ATOM 0 HB2 GLU A 28 184.366 6.623 -6.694 1.00 0.00 H new ATOM 0 HB3 GLU A 28 185.538 7.836 -7.169 1.00 0.00 H new ATOM 0 HG2 GLU A 28 186.613 6.003 -7.998 1.00 0.00 H new ATOM 0 HG3 GLU A 28 187.275 5.967 -6.376 1.00 0.00 H new ATOM 462 N LYS A 29 185.636 9.795 -4.670 1.00 0.00 N ATOM 463 CA LYS A 29 186.281 11.099 -4.561 1.00 0.00 C ATOM 464 C LYS A 29 186.786 11.361 -3.140 1.00 0.00 C ATOM 465 O LYS A 29 187.092 12.498 -2.785 1.00 0.00 O ATOM 466 CB LYS A 29 185.311 12.207 -4.982 1.00 0.00 C ATOM 467 CG LYS A 29 184.174 12.433 -3.996 1.00 0.00 C ATOM 468 CD LYS A 29 184.454 13.619 -3.083 1.00 0.00 C ATOM 469 CE LYS A 29 183.310 14.619 -3.099 1.00 0.00 C ATOM 470 NZ LYS A 29 183.523 15.723 -2.124 1.00 0.00 N ATOM 0 H LYS A 29 184.632 9.804 -4.488 1.00 0.00 H new ATOM 0 HA LYS A 29 187.142 11.098 -5.229 1.00 0.00 H new ATOM 0 HB2 LYS A 29 185.866 13.137 -5.102 1.00 0.00 H new ATOM 0 HB3 LYS A 29 184.891 11.959 -5.957 1.00 0.00 H new ATOM 0 HG2 LYS A 29 183.246 12.604 -4.542 1.00 0.00 H new ATOM 0 HG3 LYS A 29 184.029 11.536 -3.394 1.00 0.00 H new ATOM 0 HD2 LYS A 29 184.615 13.265 -2.065 1.00 0.00 H new ATOM 0 HD3 LYS A 29 185.374 14.112 -3.398 1.00 0.00 H new ATOM 0 HE2 LYS A 29 183.206 15.035 -4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 29 182.376 14.106 -2.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 182.721 16.383 -2.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 183.597 15.329 -1.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 184.401 16.229 -2.359 1.00 0.00 H new ATOM 484 N TRP A 30 186.875 10.306 -2.333 1.00 0.00 N ATOM 485 CA TRP A 30 187.349 10.436 -0.959 1.00 0.00 C ATOM 486 C TRP A 30 188.846 10.144 -0.868 1.00 0.00 C ATOM 487 O TRP A 30 189.358 9.823 0.204 1.00 0.00 O ATOM 488 CB TRP A 30 186.578 9.483 -0.041 1.00 0.00 C ATOM 489 CG TRP A 30 185.555 10.172 0.809 1.00 0.00 C ATOM 490 CD1 TRP A 30 184.208 10.214 0.596 1.00 0.00 C ATOM 491 CD2 TRP A 30 185.797 10.917 2.008 1.00 0.00 C ATOM 492 NE1 TRP A 30 183.595 10.941 1.590 1.00 0.00 N ATOM 493 CE2 TRP A 30 184.550 11.383 2.468 1.00 0.00 C ATOM 494 CE3 TRP A 30 186.946 11.235 2.736 1.00 0.00 C ATOM 495 CZ2 TRP A 30 184.422 12.148 3.625 1.00 0.00 C ATOM 496 CZ3 TRP A 30 186.818 11.995 3.884 1.00 0.00 C ATOM 497 CH2 TRP A 30 185.564 12.444 4.318 1.00 0.00 C ATOM 0 H TRP A 30 186.626 9.355 -2.606 1.00 0.00 H new ATOM 0 HA TRP A 30 187.177 11.463 -0.637 1.00 0.00 H new ATOM 0 HB2 TRP A 30 186.083 8.726 -0.649 1.00 0.00 H new ATOM 0 HB3 TRP A 30 187.285 8.962 0.605 1.00 0.00 H new ATOM 0 HD1 TRP A 30 183.698 9.745 -0.232 1.00 0.00 H new ATOM 0 HE1 TRP A 30 182.594 11.122 1.662 1.00 0.00 H new ATOM 0 HE3 TRP A 30 187.917 10.893 2.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 183.457 12.495 3.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 187.699 12.247 4.455 1.00 0.00 H new ATOM 0 HH2 TRP A 30 185.497 13.036 5.219 1.00 0.00 H new ATOM 508 N GLN A 31 189.542 10.246 -1.998 1.00 0.00 N ATOM 509 CA GLN A 31 190.980 9.985 -2.043 1.00 0.00 C ATOM 510 C GLN A 31 191.287 8.492 -1.891 1.00 0.00 C ATOM 511 O GLN A 31 192.418 8.060 -2.113 1.00 0.00 O ATOM 512 CB GLN A 31 191.704 10.783 -0.953 1.00 0.00 C ATOM 513 CG GLN A 31 192.698 11.796 -1.500 1.00 0.00 C ATOM 514 CD GLN A 31 192.107 12.670 -2.588 1.00 0.00 C ATOM 515 OE1 GLN A 31 192.768 12.978 -3.582 1.00 0.00 O ATOM 516 NE2 GLN A 31 190.856 13.079 -2.408 1.00 0.00 N ATOM 0 H GLN A 31 189.134 10.508 -2.895 1.00 0.00 H new ATOM 0 HA GLN A 31 191.341 10.305 -3.020 1.00 0.00 H new ATOM 0 HB2 GLN A 31 190.965 11.304 -0.344 1.00 0.00 H new ATOM 0 HB3 GLN A 31 192.229 10.090 -0.295 1.00 0.00 H new ATOM 0 HG2 GLN A 31 193.052 12.428 -0.685 1.00 0.00 H new ATOM 0 HG3 GLN A 31 193.567 11.269 -1.895 1.00 0.00 H new ATOM 0 HE21 GLN A 31 190.344 12.801 -1.571 1.00 0.00 H new ATOM 0 HE22 GLN A 31 190.407 13.671 -3.107 1.00 0.00 H new ATOM 525 N THR A 32 190.278 7.705 -1.518 1.00 0.00 N ATOM 526 CA THR A 32 190.452 6.268 -1.346 1.00 0.00 C ATOM 527 C THR A 32 190.423 5.561 -2.699 1.00 0.00 C ATOM 528 O THR A 32 190.383 6.209 -3.744 1.00 0.00 O ATOM 529 CB THR A 32 189.362 5.710 -0.430 1.00 0.00 C ATOM 530 OG1 THR A 32 188.216 6.545 -0.445 1.00 0.00 O ATOM 531 CG2 THR A 32 189.808 5.566 1.010 1.00 0.00 C ATOM 0 H THR A 32 189.333 8.041 -1.330 1.00 0.00 H new ATOM 0 HA THR A 32 191.423 6.088 -0.884 1.00 0.00 H new ATOM 0 HB THR A 32 189.132 4.720 -0.824 1.00 0.00 H new ATOM 0 HG1 THR A 32 187.530 6.170 0.146 1.00 0.00 H new ATOM 0 HG21 THR A 32 188.988 5.165 1.606 1.00 0.00 H new ATOM 0 HG22 THR A 32 190.659 4.887 1.061 1.00 0.00 H new ATOM 0 HG23 THR A 32 190.098 6.542 1.400 1.00 0.00 H new ATOM 539 N HIS A 33 190.449 4.232 -2.675 1.00 0.00 N ATOM 540 CA HIS A 33 190.433 3.451 -3.909 1.00 0.00 C ATOM 541 C HIS A 33 189.110 2.712 -4.083 1.00 0.00 C ATOM 542 O HIS A 33 188.564 2.653 -5.185 1.00 0.00 O ATOM 543 CB HIS A 33 191.586 2.447 -3.920 1.00 0.00 C ATOM 544 CG HIS A 33 192.936 3.081 -4.056 1.00 0.00 C ATOM 545 ND1 HIS A 33 193.361 4.334 -3.769 1.00 0.00 N flip ATOM 546 CD2 HIS A 33 194.037 2.408 -4.542 1.00 0.00 C flip ATOM 547 CE1 HIS A 33 194.697 4.393 -4.082 1.00 0.00 C flip ATOM 548 NE2 HIS A 33 195.080 3.219 -4.545 1.00 0.00 N flip ATOM 0 H HIS A 33 190.481 3.675 -1.821 1.00 0.00 H new ATOM 0 HA HIS A 33 190.550 4.147 -4.740 1.00 0.00 H new ATOM 0 HB2 HIS A 33 191.559 1.866 -2.998 1.00 0.00 H new ATOM 0 HB3 HIS A 33 191.439 1.747 -4.743 1.00 0.00 H new ATOM 0 HD2 HIS A 33 194.045 1.379 -4.869 1.00 0.00 H new ATOM 0 HE1 HIS A 33 195.331 5.260 -3.968 1.00 0.00 H new ATOM 0 HE2 HIS A 33 196.022 2.978 -4.853 1.00 0.00 H new ATOM 557 N LEU A 34 188.604 2.136 -2.996 1.00 0.00 N ATOM 558 CA LEU A 34 187.351 1.390 -3.042 1.00 0.00 C ATOM 559 C LEU A 34 187.412 0.320 -4.129 1.00 0.00 C ATOM 560 O LEU A 34 187.045 0.568 -5.278 1.00 0.00 O ATOM 561 CB LEU A 34 186.170 2.333 -3.297 1.00 0.00 C ATOM 562 CG LEU A 34 186.120 3.584 -2.413 1.00 0.00 C ATOM 563 CD1 LEU A 34 186.330 3.226 -0.949 1.00 0.00 C ATOM 564 CD2 LEU A 34 187.156 4.600 -2.869 1.00 0.00 C ATOM 0 H LEU A 34 189.041 2.171 -2.075 1.00 0.00 H new ATOM 0 HA LEU A 34 187.205 0.905 -2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 34 186.198 2.648 -4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 34 185.245 1.774 -3.157 1.00 0.00 H new ATOM 0 HG LEU A 34 185.130 4.030 -2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 34 186.290 4.132 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 34 185.548 2.539 -0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 34 187.303 2.751 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 34 187.106 5.482 -2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 34 188.151 4.160 -2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 34 186.954 4.888 -3.901 1.00 0.00 H new ATOM 576 N ILE A 35 187.896 -0.860 -3.762 1.00 0.00 N ATOM 577 CA ILE A 35 188.029 -1.962 -4.712 1.00 0.00 C ATOM 578 C ILE A 35 186.878 -2.955 -4.596 1.00 0.00 C ATOM 579 O ILE A 35 186.184 -3.231 -5.577 1.00 0.00 O ATOM 580 CB ILE A 35 189.356 -2.723 -4.513 1.00 0.00 C ATOM 581 CG1 ILE A 35 190.465 -1.769 -4.059 1.00 0.00 C ATOM 582 CG2 ILE A 35 189.755 -3.435 -5.797 1.00 0.00 C ATOM 583 CD1 ILE A 35 190.874 -0.765 -5.118 1.00 0.00 C ATOM 0 H ILE A 35 188.203 -1.080 -2.815 1.00 0.00 H new ATOM 0 HA ILE A 35 188.013 -1.509 -5.703 1.00 0.00 H new ATOM 0 HB ILE A 35 189.211 -3.470 -3.733 1.00 0.00 H new ATOM 0 HG12 ILE A 35 190.130 -1.232 -3.172 1.00 0.00 H new ATOM 0 HG13 ILE A 35 191.338 -2.353 -3.768 1.00 0.00 H new ATOM 0 HG21 ILE A 35 190.693 -3.968 -5.641 1.00 0.00 H new ATOM 0 HG22 ILE A 35 188.977 -4.145 -6.076 1.00 0.00 H new ATOM 0 HG23 ILE A 35 189.881 -2.703 -6.595 1.00 0.00 H new ATOM 0 HD11 ILE A 35 191.663 -0.123 -4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 35 191.240 -1.293 -5.998 1.00 0.00 H new ATOM 0 HD13 ILE A 35 190.013 -0.155 -5.393 1.00 0.00 H new ATOM 595 N ASN A 36 186.691 -3.506 -3.402 1.00 0.00 N ATOM 596 CA ASN A 36 185.634 -4.486 -3.172 1.00 0.00 C ATOM 597 C ASN A 36 184.505 -3.906 -2.321 1.00 0.00 C ATOM 598 O ASN A 36 184.437 -4.152 -1.117 1.00 0.00 O ATOM 599 CB ASN A 36 186.211 -5.729 -2.494 1.00 0.00 C ATOM 600 CG ASN A 36 186.825 -6.697 -3.485 1.00 0.00 C ATOM 601 OD1 ASN A 36 187.351 -6.293 -4.522 1.00 0.00 O ATOM 602 ND2 ASN A 36 186.761 -7.987 -3.170 1.00 0.00 N ATOM 0 H ASN A 36 187.255 -3.292 -2.580 1.00 0.00 H new ATOM 0 HA ASN A 36 185.217 -4.760 -4.141 1.00 0.00 H new ATOM 0 HB2 ASN A 36 186.968 -5.426 -1.770 1.00 0.00 H new ATOM 0 HB3 ASN A 36 185.422 -6.235 -1.938 1.00 0.00 H new ATOM 0 HD21 ASN A 36 187.157 -8.686 -3.799 1.00 0.00 H new ATOM 0 HD22 ASN A 36 186.316 -8.278 -2.300 1.00 0.00 H new ATOM 609 N PRO A 37 183.597 -3.132 -2.939 1.00 0.00 N ATOM 610 CA PRO A 37 182.467 -2.526 -2.234 1.00 0.00 C ATOM 611 C PRO A 37 181.337 -3.521 -1.990 1.00 0.00 C ATOM 612 O PRO A 37 180.406 -3.625 -2.790 1.00 0.00 O ATOM 613 CB PRO A 37 182.013 -1.430 -3.196 1.00 0.00 C ATOM 614 CG PRO A 37 182.348 -1.964 -4.547 1.00 0.00 C ATOM 615 CD PRO A 37 183.598 -2.788 -4.375 1.00 0.00 C ATOM 0 HA PRO A 37 182.744 -2.163 -1.244 1.00 0.00 H new ATOM 0 HB2 PRO A 37 180.945 -1.233 -3.100 1.00 0.00 H new ATOM 0 HB3 PRO A 37 182.529 -0.490 -3.000 1.00 0.00 H new ATOM 0 HG2 PRO A 37 181.532 -2.571 -4.939 1.00 0.00 H new ATOM 0 HG3 PRO A 37 182.511 -1.153 -5.257 1.00 0.00 H new ATOM 0 HD2 PRO A 37 183.578 -3.681 -5.000 1.00 0.00 H new ATOM 0 HD3 PRO A 37 184.490 -2.225 -4.651 1.00 0.00 H new ATOM 623 N HIS A 38 181.420 -4.250 -0.881 1.00 0.00 N ATOM 624 CA HIS A 38 180.401 -5.234 -0.539 1.00 0.00 C ATOM 625 C HIS A 38 179.192 -4.560 0.104 1.00 0.00 C ATOM 626 O HIS A 38 179.212 -4.220 1.287 1.00 0.00 O ATOM 627 CB HIS A 38 180.975 -6.293 0.405 1.00 0.00 C ATOM 628 CG HIS A 38 180.734 -7.698 -0.055 1.00 0.00 C ATOM 629 ND1 HIS A 38 181.622 -8.728 0.170 1.00 0.00 N ATOM 630 CD2 HIS A 38 179.694 -8.241 -0.732 1.00 0.00 C ATOM 631 CE1 HIS A 38 181.141 -9.843 -0.349 1.00 0.00 C ATOM 632 NE2 HIS A 38 179.973 -9.575 -0.901 1.00 0.00 N ATOM 0 H HIS A 38 182.181 -4.177 -0.206 1.00 0.00 H new ATOM 0 HA HIS A 38 180.078 -5.721 -1.459 1.00 0.00 H new ATOM 0 HB2 HIS A 38 182.048 -6.132 0.509 1.00 0.00 H new ATOM 0 HB3 HIS A 38 180.536 -6.163 1.394 1.00 0.00 H new ATOM 0 HD1 HIS A 38 182.512 -8.642 0.661 1.00 0.00 H new ATOM 0 HD2 HIS A 38 178.811 -7.722 -1.075 1.00 0.00 H new ATOM 0 HE1 HIS A 38 181.622 -10.810 -0.326 1.00 0.00 H new ATOM 641 N ILE A 39 178.143 -4.367 -0.687 1.00 0.00 N ATOM 642 CA ILE A 39 176.926 -3.730 -0.202 1.00 0.00 C ATOM 643 C ILE A 39 175.924 -4.763 0.301 1.00 0.00 C ATOM 644 O ILE A 39 175.328 -5.499 -0.485 1.00 0.00 O ATOM 645 CB ILE A 39 176.259 -2.883 -1.303 1.00 0.00 C ATOM 646 CG1 ILE A 39 177.294 -1.989 -1.990 1.00 0.00 C ATOM 647 CG2 ILE A 39 175.132 -2.046 -0.718 1.00 0.00 C ATOM 648 CD1 ILE A 39 178.080 -1.121 -1.030 1.00 0.00 C ATOM 0 H ILE A 39 178.112 -4.643 -1.668 1.00 0.00 H new ATOM 0 HA ILE A 39 177.219 -3.080 0.623 1.00 0.00 H new ATOM 0 HB ILE A 39 175.836 -3.555 -2.050 1.00 0.00 H new ATOM 0 HG12 ILE A 39 177.988 -2.616 -2.551 1.00 0.00 H new ATOM 0 HG13 ILE A 39 176.787 -1.350 -2.712 1.00 0.00 H new ATOM 0 HG21 ILE A 39 174.671 -1.453 -1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 39 174.384 -2.703 -0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 39 175.532 -1.381 0.048 1.00 0.00 H new ATOM 0 HD11 ILE A 39 178.794 -0.515 -1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 39 177.397 -0.468 -0.487 1.00 0.00 H new ATOM 0 HD13 ILE A 39 178.616 -1.754 -0.323 1.00 0.00 H new ATOM 660 N ILE A 40 175.741 -4.808 1.614 1.00 0.00 N ATOM 661 CA ILE A 40 174.809 -5.746 2.225 1.00 0.00 C ATOM 662 C ILE A 40 173.575 -5.011 2.745 1.00 0.00 C ATOM 663 O ILE A 40 173.603 -4.426 3.826 1.00 0.00 O ATOM 664 CB ILE A 40 175.472 -6.525 3.384 1.00 0.00 C ATOM 665 CG1 ILE A 40 176.575 -7.440 2.847 1.00 0.00 C ATOM 666 CG2 ILE A 40 174.439 -7.337 4.157 1.00 0.00 C ATOM 667 CD1 ILE A 40 177.736 -6.694 2.226 1.00 0.00 C ATOM 0 H ILE A 40 176.227 -4.205 2.277 1.00 0.00 H new ATOM 0 HA ILE A 40 174.510 -6.458 1.456 1.00 0.00 H new ATOM 0 HB ILE A 40 175.917 -5.803 4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 40 176.948 -8.061 3.661 1.00 0.00 H new ATOM 0 HG13 ILE A 40 176.147 -8.112 2.103 1.00 0.00 H new ATOM 0 HG21 ILE A 40 174.931 -7.876 4.967 1.00 0.00 H new ATOM 0 HG22 ILE A 40 173.686 -6.667 4.572 1.00 0.00 H new ATOM 0 HG23 ILE A 40 173.960 -8.050 3.486 1.00 0.00 H new ATOM 0 HD11 ILE A 40 178.478 -7.408 1.868 1.00 0.00 H new ATOM 0 HD12 ILE A 40 177.377 -6.094 1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 40 178.190 -6.042 2.972 1.00 0.00 H new ATOM 679 N LEU A 41 172.495 -5.042 1.970 1.00 0.00 N ATOM 680 CA LEU A 41 171.263 -4.369 2.362 1.00 0.00 C ATOM 681 C LEU A 41 170.184 -5.373 2.751 1.00 0.00 C ATOM 682 O LEU A 41 169.558 -5.992 1.892 1.00 0.00 O ATOM 683 CB LEU A 41 170.758 -3.479 1.224 1.00 0.00 C ATOM 684 CG LEU A 41 169.390 -2.834 1.469 1.00 0.00 C ATOM 685 CD1 LEU A 41 169.467 -1.327 1.277 1.00 0.00 C ATOM 686 CD2 LEU A 41 168.340 -3.444 0.551 1.00 0.00 C ATOM 0 H LEU A 41 172.448 -5.523 1.072 1.00 0.00 H new ATOM 0 HA LEU A 41 171.484 -3.750 3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 41 171.489 -2.690 1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 41 170.705 -4.074 0.313 1.00 0.00 H new ATOM 0 HG LEU A 41 169.096 -3.030 2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 41 168.486 -0.887 1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 41 170.186 -0.907 1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 41 169.784 -1.106 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 41 167.375 -2.974 0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 41 168.626 -3.281 -0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 41 168.266 -4.514 0.744 1.00 0.00 H new ATOM 698 N SER A 42 169.972 -5.527 4.054 1.00 0.00 N ATOM 699 CA SER A 42 168.967 -6.455 4.554 1.00 0.00 C ATOM 700 C SER A 42 167.817 -5.710 5.219 1.00 0.00 C ATOM 701 O SER A 42 168.016 -4.675 5.856 1.00 0.00 O ATOM 702 CB SER A 42 169.595 -7.433 5.547 1.00 0.00 C ATOM 703 OG SER A 42 170.735 -8.064 4.990 1.00 0.00 O ATOM 0 H SER A 42 170.481 -5.023 4.780 1.00 0.00 H new ATOM 0 HA SER A 42 168.571 -7.012 3.704 1.00 0.00 H new ATOM 0 HB2 SER A 42 169.877 -6.902 6.456 1.00 0.00 H new ATOM 0 HB3 SER A 42 168.862 -8.187 5.833 1.00 0.00 H new ATOM 0 HG SER A 42 171.486 -7.994 5.616 1.00 0.00 H new ATOM 709 N LYS A 43 166.610 -6.246 5.069 1.00 0.00 N ATOM 710 CA LYS A 43 165.421 -5.641 5.657 1.00 0.00 C ATOM 711 C LYS A 43 165.126 -6.256 7.019 1.00 0.00 C ATOM 712 O LYS A 43 164.653 -7.389 7.109 1.00 0.00 O ATOM 713 CB LYS A 43 164.220 -5.824 4.728 1.00 0.00 C ATOM 714 CG LYS A 43 163.160 -4.751 4.884 1.00 0.00 C ATOM 715 CD LYS A 43 161.936 -5.275 5.620 1.00 0.00 C ATOM 716 CE LYS A 43 161.405 -4.258 6.617 1.00 0.00 C ATOM 717 NZ LYS A 43 161.351 -2.888 6.037 1.00 0.00 N ATOM 0 H LYS A 43 166.430 -7.101 4.543 1.00 0.00 H new ATOM 0 HA LYS A 43 165.607 -4.575 5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 43 164.568 -5.831 3.695 1.00 0.00 H new ATOM 0 HB3 LYS A 43 163.769 -6.798 4.919 1.00 0.00 H new ATOM 0 HG2 LYS A 43 163.577 -3.903 5.428 1.00 0.00 H new ATOM 0 HG3 LYS A 43 162.865 -4.385 3.901 1.00 0.00 H new ATOM 0 HD2 LYS A 43 161.156 -5.521 4.900 1.00 0.00 H new ATOM 0 HD3 LYS A 43 162.191 -6.197 6.141 1.00 0.00 H new ATOM 0 HE2 LYS A 43 160.408 -4.554 6.942 1.00 0.00 H new ATOM 0 HE3 LYS A 43 162.040 -4.252 7.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 160.564 -2.360 6.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 162.245 -2.394 6.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 161.206 -2.952 5.009 1.00 0.00 H new ATOM 731 N GLU A 44 165.417 -5.508 8.079 1.00 0.00 N ATOM 732 CA GLU A 44 165.188 -5.991 9.435 1.00 0.00 C ATOM 733 C GLU A 44 163.852 -5.492 9.984 1.00 0.00 C ATOM 734 O GLU A 44 163.495 -4.328 9.804 1.00 0.00 O ATOM 735 CB GLU A 44 166.329 -5.548 10.353 1.00 0.00 C ATOM 736 CG GLU A 44 166.879 -6.667 11.222 1.00 0.00 C ATOM 737 CD GLU A 44 167.293 -7.883 10.416 1.00 0.00 C ATOM 738 OE1 GLU A 44 168.294 -7.792 9.676 1.00 0.00 O ATOM 739 OE2 GLU A 44 166.614 -8.927 10.525 1.00 0.00 O ATOM 0 H GLU A 44 165.810 -4.568 8.025 1.00 0.00 H new ATOM 0 HA GLU A 44 165.155 -7.080 9.402 1.00 0.00 H new ATOM 0 HB2 GLU A 44 167.137 -5.141 9.745 1.00 0.00 H new ATOM 0 HB3 GLU A 44 165.976 -4.741 10.995 1.00 0.00 H new ATOM 0 HG2 GLU A 44 167.738 -6.298 11.782 1.00 0.00 H new ATOM 0 HG3 GLU A 44 166.124 -6.959 11.952 1.00 0.00 H new ATOM 746 N PRO A 45 163.096 -6.377 10.662 1.00 0.00 N ATOM 747 CA PRO A 45 161.797 -6.047 11.241 1.00 0.00 C ATOM 748 C PRO A 45 161.732 -4.631 11.810 1.00 0.00 C ATOM 749 O PRO A 45 160.769 -3.900 11.573 1.00 0.00 O ATOM 750 CB PRO A 45 161.650 -7.059 12.378 1.00 0.00 C ATOM 751 CG PRO A 45 162.553 -8.207 12.044 1.00 0.00 C ATOM 752 CD PRO A 45 163.452 -7.783 10.908 1.00 0.00 C ATOM 0 HA PRO A 45 161.010 -6.088 10.488 1.00 0.00 H new ATOM 0 HB2 PRO A 45 161.927 -6.613 13.333 1.00 0.00 H new ATOM 0 HB3 PRO A 45 160.616 -7.392 12.470 1.00 0.00 H new ATOM 0 HG2 PRO A 45 163.146 -8.490 12.914 1.00 0.00 H new ATOM 0 HG3 PRO A 45 161.967 -9.081 11.760 1.00 0.00 H new ATOM 0 HD2 PRO A 45 164.504 -7.885 11.175 1.00 0.00 H new ATOM 0 HD3 PRO A 45 163.287 -8.395 10.021 1.00 0.00 H new ATOM 760 N GLN A 46 162.747 -4.262 12.584 1.00 0.00 N ATOM 761 CA GLN A 46 162.789 -2.948 13.212 1.00 0.00 C ATOM 762 C GLN A 46 163.700 -1.977 12.463 1.00 0.00 C ATOM 763 O GLN A 46 164.370 -1.150 13.079 1.00 0.00 O ATOM 764 CB GLN A 46 163.251 -3.083 14.664 1.00 0.00 C ATOM 765 CG GLN A 46 162.685 -2.014 15.587 1.00 0.00 C ATOM 766 CD GLN A 46 161.172 -1.927 15.523 1.00 0.00 C ATOM 767 OE1 GLN A 46 160.604 -0.836 15.486 1.00 0.00 O ATOM 768 NE2 GLN A 46 160.511 -3.079 15.507 1.00 0.00 N ATOM 0 H GLN A 46 163.551 -4.855 12.791 1.00 0.00 H new ATOM 0 HA GLN A 46 161.780 -2.537 13.180 1.00 0.00 H new ATOM 0 HB2 GLN A 46 162.961 -4.065 15.039 1.00 0.00 H new ATOM 0 HB3 GLN A 46 164.340 -3.039 14.695 1.00 0.00 H new ATOM 0 HG2 GLN A 46 162.990 -2.226 16.612 1.00 0.00 H new ATOM 0 HG3 GLN A 46 163.112 -1.047 15.321 1.00 0.00 H new ATOM 0 HE21 GLN A 46 161.022 -3.961 15.539 1.00 0.00 H new ATOM 0 HE22 GLN A 46 159.492 -3.082 15.462 1.00 0.00 H new ATOM 777 N GLY A 47 163.711 -2.061 11.134 1.00 0.00 N ATOM 778 CA GLY A 47 164.535 -1.155 10.353 1.00 0.00 C ATOM 779 C GLY A 47 165.409 -1.846 9.326 1.00 0.00 C ATOM 780 O GLY A 47 165.606 -3.061 9.369 1.00 0.00 O ATOM 0 H GLY A 47 163.170 -2.733 10.590 1.00 0.00 H new ATOM 0 HA2 GLY A 47 163.889 -0.441 9.843 1.00 0.00 H new ATOM 0 HA3 GLY A 47 165.170 -0.583 11.030 1.00 0.00 H new ATOM 784 N PHE A 48 165.938 -1.050 8.401 1.00 0.00 N ATOM 785 CA PHE A 48 166.807 -1.545 7.340 1.00 0.00 C ATOM 786 C PHE A 48 168.236 -1.709 7.847 1.00 0.00 C ATOM 787 O PHE A 48 168.773 -0.813 8.501 1.00 0.00 O ATOM 788 CB PHE A 48 166.808 -0.563 6.166 1.00 0.00 C ATOM 789 CG PHE A 48 166.105 -1.058 4.935 1.00 0.00 C ATOM 790 CD1 PHE A 48 164.859 -1.656 5.016 1.00 0.00 C ATOM 791 CD2 PHE A 48 166.687 -0.905 3.688 1.00 0.00 C ATOM 792 CE1 PHE A 48 164.210 -2.093 3.875 1.00 0.00 C ATOM 793 CE2 PHE A 48 166.041 -1.339 2.548 1.00 0.00 C ATOM 794 CZ PHE A 48 164.803 -1.933 2.642 1.00 0.00 C ATOM 0 H PHE A 48 165.776 -0.044 8.367 1.00 0.00 H new ATOM 0 HA PHE A 48 166.428 -2.514 7.015 1.00 0.00 H new ATOM 0 HB2 PHE A 48 166.339 0.367 6.487 1.00 0.00 H new ATOM 0 HB3 PHE A 48 167.840 -0.327 5.908 1.00 0.00 H new ATOM 0 HD1 PHE A 48 164.389 -1.783 5.980 1.00 0.00 H new ATOM 0 HD2 PHE A 48 167.658 -0.440 3.606 1.00 0.00 H new ATOM 0 HE1 PHE A 48 163.239 -2.559 3.951 1.00 0.00 H new ATOM 0 HE2 PHE A 48 166.507 -1.212 1.582 1.00 0.00 H new ATOM 0 HZ PHE A 48 164.297 -2.273 1.750 1.00 0.00 H new ATOM 804 N VAL A 49 168.845 -2.849 7.532 1.00 0.00 N ATOM 805 CA VAL A 49 170.218 -3.125 7.943 1.00 0.00 C ATOM 806 C VAL A 49 171.150 -3.108 6.734 1.00 0.00 C ATOM 807 O VAL A 49 171.340 -4.129 6.072 1.00 0.00 O ATOM 808 CB VAL A 49 170.330 -4.490 8.655 1.00 0.00 C ATOM 809 CG1 VAL A 49 171.781 -4.807 8.994 1.00 0.00 C ATOM 810 CG2 VAL A 49 169.471 -4.510 9.908 1.00 0.00 C ATOM 0 H VAL A 49 168.409 -3.597 6.993 1.00 0.00 H new ATOM 0 HA VAL A 49 170.513 -2.343 8.643 1.00 0.00 H new ATOM 0 HB VAL A 49 169.965 -5.260 7.975 1.00 0.00 H new ATOM 0 HG11 VAL A 49 171.835 -5.774 9.495 1.00 0.00 H new ATOM 0 HG12 VAL A 49 172.370 -4.840 8.077 1.00 0.00 H new ATOM 0 HG13 VAL A 49 172.178 -4.034 9.652 1.00 0.00 H new ATOM 0 HG21 VAL A 49 169.563 -5.480 10.397 1.00 0.00 H new ATOM 0 HG22 VAL A 49 169.804 -3.727 10.590 1.00 0.00 H new ATOM 0 HG23 VAL A 49 168.429 -4.337 9.638 1.00 0.00 H new ATOM 820 N ALA A 50 171.721 -1.944 6.445 1.00 0.00 N ATOM 821 CA ALA A 50 172.623 -1.799 5.309 1.00 0.00 C ATOM 822 C ALA A 50 174.083 -1.778 5.752 1.00 0.00 C ATOM 823 O ALA A 50 174.557 -0.793 6.316 1.00 0.00 O ATOM 824 CB ALA A 50 172.291 -0.533 4.533 1.00 0.00 C ATOM 0 H ALA A 50 171.575 -1.088 6.981 1.00 0.00 H new ATOM 0 HA ALA A 50 172.484 -2.664 4.660 1.00 0.00 H new ATOM 0 HB1 ALA A 50 172.971 -0.436 3.687 1.00 0.00 H new ATOM 0 HB2 ALA A 50 171.265 -0.588 4.169 1.00 0.00 H new ATOM 0 HB3 ALA A 50 172.398 0.333 5.186 1.00 0.00 H new ATOM 830 N ASP A 51 174.791 -2.870 5.486 1.00 0.00 N ATOM 831 CA ASP A 51 176.200 -2.977 5.850 1.00 0.00 C ATOM 832 C ASP A 51 177.080 -2.947 4.603 1.00 0.00 C ATOM 833 O ASP A 51 177.209 -3.947 3.899 1.00 0.00 O ATOM 834 CB ASP A 51 176.450 -4.264 6.636 1.00 0.00 C ATOM 835 CG ASP A 51 176.395 -4.044 8.135 1.00 0.00 C ATOM 836 OD1 ASP A 51 175.277 -3.893 8.672 1.00 0.00 O ATOM 837 OD2 ASP A 51 177.469 -4.027 8.773 1.00 0.00 O ATOM 0 H ASP A 51 174.413 -3.694 5.019 1.00 0.00 H new ATOM 0 HA ASP A 51 176.457 -2.124 6.479 1.00 0.00 H new ATOM 0 HB2 ASP A 51 175.707 -5.010 6.353 1.00 0.00 H new ATOM 0 HB3 ASP A 51 177.426 -4.668 6.366 1.00 0.00 H new ATOM 842 N ALA A 52 177.675 -1.790 4.334 1.00 0.00 N ATOM 843 CA ALA A 52 178.536 -1.628 3.167 1.00 0.00 C ATOM 844 C ALA A 52 180.012 -1.674 3.549 1.00 0.00 C ATOM 845 O ALA A 52 180.545 -0.723 4.119 1.00 0.00 O ATOM 846 CB ALA A 52 178.216 -0.321 2.456 1.00 0.00 C ATOM 0 H ALA A 52 177.578 -0.952 4.907 1.00 0.00 H new ATOM 0 HA ALA A 52 178.342 -2.460 2.491 1.00 0.00 H new ATOM 0 HB1 ALA A 52 178.865 -0.211 1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 52 177.175 -0.328 2.133 1.00 0.00 H new ATOM 0 HB3 ALA A 52 178.379 0.514 3.138 1.00 0.00 H new ATOM 852 N THR A 53 180.669 -2.784 3.226 1.00 0.00 N ATOM 853 CA THR A 53 182.087 -2.949 3.528 1.00 0.00 C ATOM 854 C THR A 53 182.923 -2.819 2.259 1.00 0.00 C ATOM 855 O THR A 53 182.750 -3.587 1.313 1.00 0.00 O ATOM 856 CB THR A 53 182.343 -4.307 4.187 1.00 0.00 C ATOM 857 OG1 THR A 53 182.414 -5.333 3.211 1.00 0.00 O ATOM 858 CG2 THR A 53 181.280 -4.701 5.190 1.00 0.00 C ATOM 0 H THR A 53 180.242 -3.582 2.755 1.00 0.00 H new ATOM 0 HA THR A 53 182.380 -2.162 4.223 1.00 0.00 H new ATOM 0 HB THR A 53 183.290 -4.195 4.714 1.00 0.00 H new ATOM 0 HG1 THR A 53 182.211 -4.959 2.328 1.00 0.00 H new ATOM 0 HG21 THR A 53 181.525 -5.673 5.617 1.00 0.00 H new ATOM 0 HG22 THR A 53 181.236 -3.956 5.985 1.00 0.00 H new ATOM 0 HG23 THR A 53 180.312 -4.758 4.691 1.00 0.00 H new ATOM 866 N ILE A 54 183.823 -1.842 2.243 1.00 0.00 N ATOM 867 CA ILE A 54 184.677 -1.614 1.082 1.00 0.00 C ATOM 868 C ILE A 54 186.145 -1.857 1.417 1.00 0.00 C ATOM 869 O ILE A 54 186.595 -1.568 2.526 1.00 0.00 O ATOM 870 CB ILE A 54 184.527 -0.177 0.535 1.00 0.00 C ATOM 871 CG1 ILE A 54 183.064 0.274 0.577 1.00 0.00 C ATOM 872 CG2 ILE A 54 185.069 -0.093 -0.884 1.00 0.00 C ATOM 873 CD1 ILE A 54 182.888 1.711 1.019 1.00 0.00 C ATOM 0 H ILE A 54 183.980 -1.197 3.017 1.00 0.00 H new ATOM 0 HA ILE A 54 184.354 -2.323 0.319 1.00 0.00 H new ATOM 0 HB ILE A 54 185.106 0.493 1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 54 182.625 0.150 -0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 54 182.511 -0.377 1.254 1.00 0.00 H new ATOM 0 HG21 ILE A 54 184.957 0.925 -1.257 1.00 0.00 H new ATOM 0 HG22 ILE A 54 186.124 -0.366 -0.887 1.00 0.00 H new ATOM 0 HG23 ILE A 54 184.515 -0.778 -1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 54 181.827 1.962 1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 54 183.297 1.836 2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 54 183.413 2.371 0.328 1.00 0.00 H new ATOM 885 N ASN A 55 186.886 -2.383 0.448 1.00 0.00 N ATOM 886 CA ASN A 55 188.307 -2.659 0.636 1.00 0.00 C ATOM 887 C ASN A 55 189.149 -1.452 0.239 1.00 0.00 C ATOM 888 O ASN A 55 189.462 -1.259 -0.936 1.00 0.00 O ATOM 889 CB ASN A 55 188.726 -3.881 -0.184 1.00 0.00 C ATOM 890 CG ASN A 55 190.167 -4.280 0.069 1.00 0.00 C ATOM 891 OD1 ASN A 55 190.946 -4.462 -0.867 1.00 0.00 O ATOM 892 ND2 ASN A 55 190.528 -4.422 1.338 1.00 0.00 N ATOM 0 H ASN A 55 186.527 -2.627 -0.475 1.00 0.00 H new ATOM 0 HA ASN A 55 188.475 -2.867 1.693 1.00 0.00 H new ATOM 0 HB2 ASN A 55 188.072 -4.719 0.057 1.00 0.00 H new ATOM 0 HB3 ASN A 55 188.592 -3.667 -1.244 1.00 0.00 H new ATOM 0 HD21 ASN A 55 191.484 -4.692 1.569 1.00 0.00 H new ATOM 0 HD22 ASN A 55 189.849 -4.261 2.082 1.00 0.00 H new ATOM 899 N THR A 56 189.510 -0.640 1.226 1.00 0.00 N ATOM 900 CA THR A 56 190.313 0.553 0.982 1.00 0.00 C ATOM 901 C THR A 56 191.800 0.253 1.165 1.00 0.00 C ATOM 902 O THR A 56 192.167 -0.746 1.784 1.00 0.00 O ATOM 903 CB THR A 56 189.887 1.680 1.924 1.00 0.00 C ATOM 904 OG1 THR A 56 189.540 1.162 3.197 1.00 0.00 O ATOM 905 CG2 THR A 56 188.701 2.471 1.413 1.00 0.00 C ATOM 0 H THR A 56 189.259 -0.786 2.204 1.00 0.00 H new ATOM 0 HA THR A 56 190.149 0.869 -0.048 1.00 0.00 H new ATOM 0 HB THR A 56 190.748 2.346 1.987 1.00 0.00 H new ATOM 0 HG1 THR A 56 189.427 1.901 3.831 1.00 0.00 H new ATOM 0 HG21 THR A 56 188.451 3.254 2.128 1.00 0.00 H new ATOM 0 HG22 THR A 56 188.951 2.923 0.453 1.00 0.00 H new ATOM 0 HG23 THR A 56 187.846 1.806 1.289 1.00 0.00 H new ATOM 913 N PRO A 57 192.677 1.119 0.629 1.00 0.00 N ATOM 914 CA PRO A 57 194.129 0.937 0.741 1.00 0.00 C ATOM 915 C PRO A 57 194.614 1.034 2.182 1.00 0.00 C ATOM 916 O PRO A 57 195.657 0.485 2.534 1.00 0.00 O ATOM 917 CB PRO A 57 194.704 2.084 -0.098 1.00 0.00 C ATOM 918 CG PRO A 57 193.621 3.106 -0.145 1.00 0.00 C ATOM 919 CD PRO A 57 192.330 2.337 -0.123 1.00 0.00 C ATOM 0 HA PRO A 57 194.441 -0.050 0.401 1.00 0.00 H new ATOM 0 HB2 PRO A 57 195.609 2.489 0.354 1.00 0.00 H new ATOM 0 HB3 PRO A 57 194.971 1.746 -1.099 1.00 0.00 H new ATOM 0 HG2 PRO A 57 193.686 3.784 0.706 1.00 0.00 H new ATOM 0 HG3 PRO A 57 193.698 3.716 -1.045 1.00 0.00 H new ATOM 0 HD2 PRO A 57 191.535 2.899 0.366 1.00 0.00 H new ATOM 0 HD3 PRO A 57 191.983 2.104 -1.130 1.00 0.00 H new ATOM 927 N ASN A 58 193.849 1.735 3.014 1.00 0.00 N ATOM 928 CA ASN A 58 194.200 1.902 4.418 1.00 0.00 C ATOM 929 C ASN A 58 193.352 0.996 5.306 1.00 0.00 C ATOM 930 O ASN A 58 193.137 1.290 6.481 1.00 0.00 O ATOM 931 CB ASN A 58 194.022 3.361 4.840 1.00 0.00 C ATOM 932 CG ASN A 58 195.205 4.225 4.450 1.00 0.00 C ATOM 933 OD1 ASN A 58 196.039 4.571 5.288 1.00 0.00 O ATOM 934 ND2 ASN A 58 195.286 4.577 3.173 1.00 0.00 N ATOM 0 H ASN A 58 192.982 2.196 2.739 1.00 0.00 H new ATOM 0 HA ASN A 58 195.246 1.620 4.539 1.00 0.00 H new ATOM 0 HB2 ASN A 58 193.117 3.761 4.382 1.00 0.00 H new ATOM 0 HB3 ASN A 58 193.881 3.409 5.920 1.00 0.00 H new ATOM 0 HD21 ASN A 58 196.061 5.157 2.852 1.00 0.00 H new ATOM 0 HD22 ASN A 58 194.573 4.268 2.513 1.00 0.00 H new ATOM 941 N GLY A 59 192.874 -0.107 4.738 1.00 0.00 N ATOM 942 CA GLY A 59 192.057 -1.035 5.495 1.00 0.00 C ATOM 943 C GLY A 59 190.734 -1.333 4.816 1.00 0.00 C ATOM 944 O GLY A 59 190.688 -1.572 3.609 1.00 0.00 O ATOM 0 H GLY A 59 193.038 -0.374 3.767 1.00 0.00 H new ATOM 0 HA2 GLY A 59 192.607 -1.966 5.637 1.00 0.00 H new ATOM 0 HA3 GLY A 59 191.868 -0.622 6.486 1.00 0.00 H new ATOM 948 N VAL A 60 189.657 -1.320 5.594 1.00 0.00 N ATOM 949 CA VAL A 60 188.326 -1.592 5.063 1.00 0.00 C ATOM 950 C VAL A 60 187.307 -0.600 5.617 1.00 0.00 C ATOM 951 O VAL A 60 187.234 -0.379 6.826 1.00 0.00 O ATOM 952 CB VAL A 60 187.886 -3.044 5.384 1.00 0.00 C ATOM 953 CG1 VAL A 60 186.423 -3.115 5.806 1.00 0.00 C ATOM 954 CG2 VAL A 60 188.138 -3.948 4.186 1.00 0.00 C ATOM 0 H VAL A 60 189.680 -1.124 6.595 1.00 0.00 H new ATOM 0 HA VAL A 60 188.371 -1.476 3.980 1.00 0.00 H new ATOM 0 HB VAL A 60 188.485 -3.391 6.226 1.00 0.00 H new ATOM 0 HG11 VAL A 60 186.156 -4.150 6.022 1.00 0.00 H new ATOM 0 HG12 VAL A 60 186.272 -2.508 6.699 1.00 0.00 H new ATOM 0 HG13 VAL A 60 185.793 -2.738 5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 60 187.825 -4.964 4.425 1.00 0.00 H new ATOM 0 HG22 VAL A 60 187.569 -3.585 3.330 1.00 0.00 H new ATOM 0 HG23 VAL A 60 189.201 -3.943 3.944 1.00 0.00 H new ATOM 964 N LEU A 61 186.517 -0.007 4.725 1.00 0.00 N ATOM 965 CA LEU A 61 185.498 0.955 5.128 1.00 0.00 C ATOM 966 C LEU A 61 184.170 0.253 5.380 1.00 0.00 C ATOM 967 O LEU A 61 183.415 -0.019 4.446 1.00 0.00 O ATOM 968 CB LEU A 61 185.325 2.029 4.052 1.00 0.00 C ATOM 969 CG LEU A 61 186.451 3.064 3.982 1.00 0.00 C ATOM 970 CD1 LEU A 61 186.126 4.136 2.953 1.00 0.00 C ATOM 971 CD2 LEU A 61 186.685 3.687 5.351 1.00 0.00 C ATOM 0 H LEU A 61 186.564 -0.176 3.720 1.00 0.00 H new ATOM 0 HA LEU A 61 185.823 1.431 6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 61 185.241 1.539 3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 61 184.384 2.550 4.228 1.00 0.00 H new ATOM 0 HG LEU A 61 187.367 2.560 3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 61 186.937 4.863 2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 61 186.008 3.675 1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 61 185.200 4.639 3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 61 187.488 4.421 5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 61 185.772 4.178 5.688 1.00 0.00 H new ATOM 0 HD23 LEU A 61 186.962 2.909 6.062 1.00 0.00 H new ATOM 983 N VAL A 62 183.895 -0.049 6.645 1.00 0.00 N ATOM 984 CA VAL A 62 182.659 -0.727 7.009 1.00 0.00 C ATOM 985 C VAL A 62 181.566 0.271 7.367 1.00 0.00 C ATOM 986 O VAL A 62 181.531 0.801 8.477 1.00 0.00 O ATOM 987 CB VAL A 62 182.875 -1.699 8.191 1.00 0.00 C ATOM 988 CG1 VAL A 62 183.432 -0.964 9.403 1.00 0.00 C ATOM 989 CG2 VAL A 62 181.580 -2.415 8.541 1.00 0.00 C ATOM 0 H VAL A 62 184.509 0.164 7.431 1.00 0.00 H new ATOM 0 HA VAL A 62 182.344 -1.300 6.137 1.00 0.00 H new ATOM 0 HB VAL A 62 183.606 -2.448 7.886 1.00 0.00 H new ATOM 0 HG11 VAL A 62 183.575 -1.669 10.222 1.00 0.00 H new ATOM 0 HG12 VAL A 62 184.388 -0.509 9.145 1.00 0.00 H new ATOM 0 HG13 VAL A 62 182.732 -0.188 9.711 1.00 0.00 H new ATOM 0 HG21 VAL A 62 181.754 -3.094 9.375 1.00 0.00 H new ATOM 0 HG22 VAL A 62 180.823 -1.682 8.821 1.00 0.00 H new ATOM 0 HG23 VAL A 62 181.233 -2.982 7.677 1.00 0.00 H new ATOM 999 N ALA A 63 180.672 0.520 6.416 1.00 0.00 N ATOM 1000 CA ALA A 63 179.574 1.454 6.621 1.00 0.00 C ATOM 1001 C ALA A 63 178.321 0.724 7.090 1.00 0.00 C ATOM 1002 O ALA A 63 177.838 -0.191 6.422 1.00 0.00 O ATOM 1003 CB ALA A 63 179.293 2.219 5.337 1.00 0.00 C ATOM 0 H ALA A 63 180.688 0.086 5.493 1.00 0.00 H new ATOM 0 HA ALA A 63 179.864 2.162 7.398 1.00 0.00 H new ATOM 0 HB1 ALA A 63 178.470 2.915 5.501 1.00 0.00 H new ATOM 0 HB2 ALA A 63 180.184 2.773 5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 63 179.023 1.518 4.547 1.00 0.00 H new ATOM 1009 N SER A 64 177.802 1.124 8.246 1.00 0.00 N ATOM 1010 CA SER A 64 176.608 0.497 8.804 1.00 0.00 C ATOM 1011 C SER A 64 175.409 1.439 8.744 1.00 0.00 C ATOM 1012 O SER A 64 175.476 2.578 9.203 1.00 0.00 O ATOM 1013 CB SER A 64 176.863 0.065 10.251 1.00 0.00 C ATOM 1014 OG SER A 64 178.223 0.247 10.607 1.00 0.00 O ATOM 0 H SER A 64 178.188 1.878 8.814 1.00 0.00 H new ATOM 0 HA SER A 64 176.379 -0.383 8.202 1.00 0.00 H new ATOM 0 HB2 SER A 64 176.228 0.642 10.923 1.00 0.00 H new ATOM 0 HB3 SER A 64 176.589 -0.983 10.374 1.00 0.00 H new ATOM 0 HG SER A 64 178.359 -0.035 11.536 1.00 0.00 H new ATOM 1020 N GLY A 65 174.309 0.948 8.179 1.00 0.00 N ATOM 1021 CA GLY A 65 173.104 1.749 8.071 1.00 0.00 C ATOM 1022 C GLY A 65 171.913 1.081 8.723 1.00 0.00 C ATOM 1023 O GLY A 65 171.477 0.015 8.289 1.00 0.00 O ATOM 0 H GLY A 65 174.232 0.007 7.793 1.00 0.00 H new ATOM 0 HA2 GLY A 65 173.273 2.721 8.536 1.00 0.00 H new ATOM 0 HA3 GLY A 65 172.885 1.932 7.019 1.00 0.00 H new ATOM 1027 N LYS A 66 171.386 1.703 9.774 1.00 0.00 N ATOM 1028 CA LYS A 66 170.240 1.152 10.489 1.00 0.00 C ATOM 1029 C LYS A 66 169.151 2.205 10.665 1.00 0.00 C ATOM 1030 O LYS A 66 169.340 3.188 11.381 1.00 0.00 O ATOM 1031 CB LYS A 66 170.665 0.610 11.860 1.00 0.00 C ATOM 1032 CG LYS A 66 172.165 0.408 12.009 1.00 0.00 C ATOM 1033 CD LYS A 66 172.484 -0.703 12.998 1.00 0.00 C ATOM 1034 CE LYS A 66 173.091 -1.911 12.302 1.00 0.00 C ATOM 1035 NZ LYS A 66 174.578 -1.837 12.254 1.00 0.00 N ATOM 0 H LYS A 66 171.733 2.586 10.148 1.00 0.00 H new ATOM 0 HA LYS A 66 169.840 0.331 9.893 1.00 0.00 H new ATOM 0 HB2 LYS A 66 170.323 1.298 12.633 1.00 0.00 H new ATOM 0 HB3 LYS A 66 170.162 -0.341 12.035 1.00 0.00 H new ATOM 0 HG2 LYS A 66 172.599 0.168 11.038 1.00 0.00 H new ATOM 0 HG3 LYS A 66 172.627 1.337 12.343 1.00 0.00 H new ATOM 0 HD2 LYS A 66 173.176 -0.331 13.754 1.00 0.00 H new ATOM 0 HD3 LYS A 66 171.574 -1.001 13.518 1.00 0.00 H new ATOM 0 HE2 LYS A 66 172.790 -2.819 12.823 1.00 0.00 H new ATOM 0 HE3 LYS A 66 172.698 -1.981 11.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 174.952 -2.679 11.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 174.867 -0.984 11.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 174.955 -1.797 13.222 1.00 0.00 H new ATOM 1049 N HIS A 67 168.011 1.993 10.013 1.00 0.00 N ATOM 1050 CA HIS A 67 166.899 2.937 10.114 1.00 0.00 C ATOM 1051 C HIS A 67 165.587 2.311 9.649 1.00 0.00 C ATOM 1052 O HIS A 67 165.575 1.446 8.776 1.00 0.00 O ATOM 1053 CB HIS A 67 167.195 4.199 9.303 1.00 0.00 C ATOM 1054 CG HIS A 67 166.548 5.430 9.857 1.00 0.00 C ATOM 1055 ND1 HIS A 67 165.242 5.775 9.959 1.00 0.00 N flip ATOM 1056 CD2 HIS A 67 167.262 6.481 10.392 1.00 0.00 C flip ATOM 1057 CE1 HIS A 67 165.194 7.014 10.549 1.00 0.00 C flip ATOM 1058 NE2 HIS A 67 166.425 7.418 10.801 1.00 0.00 N flip ATOM 0 H HIS A 67 167.832 1.186 9.415 1.00 0.00 H new ATOM 0 HA HIS A 67 166.789 3.205 11.165 1.00 0.00 H new ATOM 0 HB2 HIS A 67 168.274 4.351 9.264 1.00 0.00 H new ATOM 0 HB3 HIS A 67 166.856 4.050 8.278 1.00 0.00 H new ATOM 0 HD2 HIS A 67 168.338 6.531 10.465 1.00 0.00 H new ATOM 0 HE1 HIS A 67 164.294 7.568 10.771 1.00 0.00 H new ATOM 0 HE2 HIS A 67 166.686 8.303 11.237 1.00 0.00 H new ATOM 1067 N GLU A 68 164.486 2.757 10.248 1.00 0.00 N ATOM 1068 CA GLU A 68 163.158 2.247 9.912 1.00 0.00 C ATOM 1069 C GLU A 68 162.920 2.235 8.404 1.00 0.00 C ATOM 1070 O GLU A 68 162.539 1.210 7.836 1.00 0.00 O ATOM 1071 CB GLU A 68 162.083 3.093 10.596 1.00 0.00 C ATOM 1072 CG GLU A 68 160.677 2.533 10.438 1.00 0.00 C ATOM 1073 CD GLU A 68 160.399 1.380 11.382 1.00 0.00 C ATOM 1074 OE1 GLU A 68 161.163 0.392 11.353 1.00 0.00 O ATOM 1075 OE2 GLU A 68 159.419 1.465 12.151 1.00 0.00 O ATOM 0 H GLU A 68 164.487 3.475 10.973 1.00 0.00 H new ATOM 0 HA GLU A 68 163.101 1.219 10.269 1.00 0.00 H new ATOM 0 HB2 GLU A 68 162.316 3.173 11.658 1.00 0.00 H new ATOM 0 HB3 GLU A 68 162.111 4.103 10.186 1.00 0.00 H new ATOM 0 HG2 GLU A 68 159.952 3.327 10.616 1.00 0.00 H new ATOM 0 HG3 GLU A 68 160.537 2.198 9.410 1.00 0.00 H new ATOM 1082 N ASP A 69 163.136 3.377 7.761 1.00 0.00 N ATOM 1083 CA ASP A 69 162.930 3.490 6.322 1.00 0.00 C ATOM 1084 C ASP A 69 164.146 2.988 5.548 1.00 0.00 C ATOM 1085 O ASP A 69 165.272 3.015 6.046 1.00 0.00 O ATOM 1086 CB ASP A 69 162.620 4.940 5.937 1.00 0.00 C ATOM 1087 CG ASP A 69 161.216 5.113 5.392 1.00 0.00 C ATOM 1088 OD1 ASP A 69 160.565 4.092 5.084 1.00 0.00 O ATOM 1089 OD2 ASP A 69 160.766 6.272 5.268 1.00 0.00 O ATOM 0 H ASP A 69 163.453 4.235 8.212 1.00 0.00 H new ATOM 0 HA ASP A 69 162.078 2.864 6.057 1.00 0.00 H new ATOM 0 HB2 ASP A 69 162.747 5.579 6.811 1.00 0.00 H new ATOM 0 HB3 ASP A 69 163.339 5.275 5.190 1.00 0.00 H new ATOM 1094 N MET A 70 163.900 2.528 4.328 1.00 0.00 N ATOM 1095 CA MET A 70 164.955 2.008 3.467 1.00 0.00 C ATOM 1096 C MET A 70 166.042 3.058 3.231 1.00 0.00 C ATOM 1097 O MET A 70 167.214 2.843 3.549 1.00 0.00 O ATOM 1098 CB MET A 70 164.331 1.516 2.143 1.00 0.00 C ATOM 1099 CG MET A 70 164.899 2.125 0.862 1.00 0.00 C ATOM 1100 SD MET A 70 163.842 3.416 0.175 1.00 0.00 S ATOM 1101 CE MET A 70 162.427 2.452 -0.348 1.00 0.00 C ATOM 0 H MET A 70 162.970 2.505 3.909 1.00 0.00 H new ATOM 0 HA MET A 70 165.441 1.164 3.957 1.00 0.00 H new ATOM 0 HB2 MET A 70 164.450 0.434 2.090 1.00 0.00 H new ATOM 0 HB3 MET A 70 163.260 1.718 2.173 1.00 0.00 H new ATOM 0 HG2 MET A 70 165.885 2.541 1.069 1.00 0.00 H new ATOM 0 HG3 MET A 70 165.034 1.338 0.120 1.00 0.00 H new ATOM 0 HE1 MET A 70 161.909 2.974 -1.153 1.00 0.00 H new ATOM 0 HE2 MET A 70 162.762 1.478 -0.704 1.00 0.00 H new ATOM 0 HE3 MET A 70 161.748 2.317 0.494 1.00 0.00 H new ATOM 1111 N TYR A 71 165.646 4.187 2.663 1.00 0.00 N ATOM 1112 CA TYR A 71 166.581 5.269 2.368 1.00 0.00 C ATOM 1113 C TYR A 71 167.235 5.807 3.638 1.00 0.00 C ATOM 1114 O TYR A 71 168.461 5.870 3.730 1.00 0.00 O ATOM 1115 CB TYR A 71 165.876 6.404 1.619 1.00 0.00 C ATOM 1116 CG TYR A 71 165.783 6.199 0.119 1.00 0.00 C ATOM 1117 CD1 TYR A 71 166.674 5.369 -0.554 1.00 0.00 C ATOM 1118 CD2 TYR A 71 164.803 6.846 -0.624 1.00 0.00 C ATOM 1119 CE1 TYR A 71 166.591 5.189 -1.919 1.00 0.00 C ATOM 1120 CE2 TYR A 71 164.715 6.672 -1.993 1.00 0.00 C ATOM 1121 CZ TYR A 71 165.612 5.844 -2.635 1.00 0.00 C ATOM 1122 OH TYR A 71 165.527 5.671 -3.998 1.00 0.00 O ATOM 0 H TYR A 71 164.681 4.381 2.395 1.00 0.00 H new ATOM 0 HA TYR A 71 167.365 4.858 1.732 1.00 0.00 H new ATOM 0 HB2 TYR A 71 164.869 6.519 2.021 1.00 0.00 H new ATOM 0 HB3 TYR A 71 166.406 7.336 1.814 1.00 0.00 H new ATOM 0 HD1 TYR A 71 167.445 4.856 0.002 1.00 0.00 H new ATOM 0 HD2 TYR A 71 164.099 7.495 -0.124 1.00 0.00 H new ATOM 0 HE1 TYR A 71 167.289 4.538 -2.424 1.00 0.00 H new ATOM 0 HE2 TYR A 71 163.948 7.182 -2.557 1.00 0.00 H new ATOM 0 HH TYR A 71 166.405 5.414 -4.350 1.00 0.00 H new ATOM 1132 N THR A 72 166.420 6.195 4.615 1.00 0.00 N ATOM 1133 CA THR A 72 166.943 6.728 5.872 1.00 0.00 C ATOM 1134 C THR A 72 168.043 5.827 6.425 1.00 0.00 C ATOM 1135 O THR A 72 168.965 6.294 7.095 1.00 0.00 O ATOM 1136 CB THR A 72 165.824 6.877 6.903 1.00 0.00 C ATOM 1137 OG1 THR A 72 164.982 5.741 6.898 1.00 0.00 O ATOM 1138 CG2 THR A 72 164.956 8.095 6.669 1.00 0.00 C ATOM 0 H THR A 72 165.402 6.152 4.563 1.00 0.00 H new ATOM 0 HA THR A 72 167.366 7.712 5.669 1.00 0.00 H new ATOM 0 HB THR A 72 166.328 6.988 7.863 1.00 0.00 H new ATOM 0 HG1 THR A 72 164.832 5.441 7.819 1.00 0.00 H new ATOM 0 HG21 THR A 72 164.182 8.142 7.435 1.00 0.00 H new ATOM 0 HG22 THR A 72 165.570 8.994 6.718 1.00 0.00 H new ATOM 0 HG23 THR A 72 164.490 8.027 5.686 1.00 0.00 H new ATOM 1146 N ALA A 73 167.943 4.534 6.134 1.00 0.00 N ATOM 1147 CA ALA A 73 168.933 3.571 6.592 1.00 0.00 C ATOM 1148 C ALA A 73 170.258 3.772 5.867 1.00 0.00 C ATOM 1149 O ALA A 73 171.303 3.954 6.495 1.00 0.00 O ATOM 1150 CB ALA A 73 168.426 2.151 6.389 1.00 0.00 C ATOM 0 H ALA A 73 167.185 4.131 5.583 1.00 0.00 H new ATOM 0 HA ALA A 73 169.099 3.732 7.657 1.00 0.00 H new ATOM 0 HB1 ALA A 73 169.178 1.443 6.737 1.00 0.00 H new ATOM 0 HB2 ALA A 73 167.505 2.009 6.955 1.00 0.00 H new ATOM 0 HB3 ALA A 73 168.231 1.982 5.330 1.00 0.00 H new ATOM 1156 N ILE A 74 170.211 3.747 4.538 1.00 0.00 N ATOM 1157 CA ILE A 74 171.421 3.936 3.740 1.00 0.00 C ATOM 1158 C ILE A 74 172.026 5.312 4.003 1.00 0.00 C ATOM 1159 O ILE A 74 173.237 5.496 3.909 1.00 0.00 O ATOM 1160 CB ILE A 74 171.195 3.756 2.211 1.00 0.00 C ATOM 1161 CG1 ILE A 74 169.708 3.602 1.862 1.00 0.00 C ATOM 1162 CG2 ILE A 74 171.980 2.555 1.705 1.00 0.00 C ATOM 1163 CD1 ILE A 74 169.456 3.275 0.404 1.00 0.00 C ATOM 0 H ILE A 74 169.360 3.600 3.995 1.00 0.00 H new ATOM 0 HA ILE A 74 172.109 3.152 4.056 1.00 0.00 H new ATOM 0 HB ILE A 74 171.554 4.659 1.718 1.00 0.00 H new ATOM 0 HG12 ILE A 74 169.278 2.815 2.481 1.00 0.00 H new ATOM 0 HG13 ILE A 74 169.187 4.526 2.113 1.00 0.00 H new ATOM 0 HG21 ILE A 74 171.815 2.438 0.634 1.00 0.00 H new ATOM 0 HG22 ILE A 74 173.042 2.709 1.894 1.00 0.00 H new ATOM 0 HG23 ILE A 74 171.646 1.657 2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 74 168.384 3.181 0.232 1.00 0.00 H new ATOM 0 HD12 ILE A 74 169.855 4.073 -0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 74 169.947 2.335 0.152 1.00 0.00 H new ATOM 1175 N ASN A 75 171.178 6.276 4.351 1.00 0.00 N ATOM 1176 CA ASN A 75 171.647 7.628 4.640 1.00 0.00 C ATOM 1177 C ASN A 75 172.547 7.625 5.871 1.00 0.00 C ATOM 1178 O ASN A 75 173.690 8.088 5.825 1.00 0.00 O ATOM 1179 CB ASN A 75 170.460 8.568 4.860 1.00 0.00 C ATOM 1180 CG ASN A 75 169.926 9.140 3.560 1.00 0.00 C ATOM 1181 OD1 ASN A 75 170.692 9.586 2.705 1.00 0.00 O ATOM 1182 ND2 ASN A 75 168.607 9.133 3.407 1.00 0.00 N ATOM 0 H ASN A 75 170.170 6.148 4.439 1.00 0.00 H new ATOM 0 HA ASN A 75 172.222 7.984 3.785 1.00 0.00 H new ATOM 0 HB2 ASN A 75 169.663 8.028 5.371 1.00 0.00 H new ATOM 0 HB3 ASN A 75 170.763 9.384 5.515 1.00 0.00 H new ATOM 0 HD21 ASN A 75 168.190 9.507 2.554 1.00 0.00 H new ATOM 0 HD22 ASN A 75 168.010 8.753 4.142 1.00 0.00 H new ATOM 1189 N GLU A 76 172.032 7.088 6.971 1.00 0.00 N ATOM 1190 CA GLU A 76 172.796 7.013 8.210 1.00 0.00 C ATOM 1191 C GLU A 76 174.120 6.291 7.975 1.00 0.00 C ATOM 1192 O GLU A 76 175.120 6.570 8.637 1.00 0.00 O ATOM 1193 CB GLU A 76 171.987 6.294 9.293 1.00 0.00 C ATOM 1194 CG GLU A 76 171.662 7.171 10.491 1.00 0.00 C ATOM 1195 CD GLU A 76 172.685 7.041 11.604 1.00 0.00 C ATOM 1196 OE1 GLU A 76 173.865 6.779 11.296 1.00 0.00 O ATOM 1197 OE2 GLU A 76 172.303 7.201 12.782 1.00 0.00 O ATOM 0 H GLU A 76 171.091 6.699 7.030 1.00 0.00 H new ATOM 0 HA GLU A 76 173.007 8.028 8.548 1.00 0.00 H new ATOM 0 HB2 GLU A 76 171.057 5.928 8.858 1.00 0.00 H new ATOM 0 HB3 GLU A 76 172.545 5.421 9.633 1.00 0.00 H new ATOM 0 HG2 GLU A 76 171.609 8.212 10.171 1.00 0.00 H new ATOM 0 HG3 GLU A 76 170.677 6.905 10.875 1.00 0.00 H new ATOM 1204 N LEU A 77 174.115 5.360 7.024 1.00 0.00 N ATOM 1205 CA LEU A 77 175.311 4.596 6.694 1.00 0.00 C ATOM 1206 C LEU A 77 176.419 5.509 6.173 1.00 0.00 C ATOM 1207 O LEU A 77 177.546 5.477 6.670 1.00 0.00 O ATOM 1208 CB LEU A 77 174.984 3.519 5.657 1.00 0.00 C ATOM 1209 CG LEU A 77 176.191 2.803 5.050 1.00 0.00 C ATOM 1210 CD1 LEU A 77 175.806 1.405 4.592 1.00 0.00 C ATOM 1211 CD2 LEU A 77 176.764 3.609 3.889 1.00 0.00 C ATOM 0 H LEU A 77 173.294 5.118 6.469 1.00 0.00 H new ATOM 0 HA LEU A 77 175.666 4.115 7.605 1.00 0.00 H new ATOM 0 HB2 LEU A 77 174.338 2.775 6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 77 174.412 3.977 4.850 1.00 0.00 H new ATOM 0 HG LEU A 77 176.960 2.714 5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 77 176.677 0.910 4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 77 175.445 0.829 5.444 1.00 0.00 H new ATOM 0 HD13 LEU A 77 175.020 1.472 3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 77 177.622 3.084 3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 77 176.002 3.731 3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 77 177.078 4.589 4.247 1.00 0.00 H new ATOM 1223 N ILE A 78 176.099 6.322 5.167 1.00 0.00 N ATOM 1224 CA ILE A 78 177.082 7.234 4.589 1.00 0.00 C ATOM 1225 C ILE A 78 177.635 8.182 5.647 1.00 0.00 C ATOM 1226 O ILE A 78 178.793 8.598 5.578 1.00 0.00 O ATOM 1227 CB ILE A 78 176.493 8.053 3.418 1.00 0.00 C ATOM 1228 CG1 ILE A 78 177.585 8.896 2.752 1.00 0.00 C ATOM 1229 CG2 ILE A 78 175.348 8.936 3.888 1.00 0.00 C ATOM 1230 CD1 ILE A 78 177.835 8.529 1.306 1.00 0.00 C ATOM 0 H ILE A 78 175.174 6.367 4.739 1.00 0.00 H new ATOM 0 HA ILE A 78 177.892 6.617 4.200 1.00 0.00 H new ATOM 0 HB ILE A 78 176.096 7.353 2.682 1.00 0.00 H new ATOM 0 HG12 ILE A 78 177.305 9.948 2.808 1.00 0.00 H new ATOM 0 HG13 ILE A 78 178.513 8.783 3.313 1.00 0.00 H new ATOM 0 HG21 ILE A 78 174.953 9.500 3.043 1.00 0.00 H new ATOM 0 HG22 ILE A 78 174.558 8.314 4.310 1.00 0.00 H new ATOM 0 HG23 ILE A 78 175.710 9.627 4.649 1.00 0.00 H new ATOM 0 HD11 ILE A 78 178.620 9.166 0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 78 178.146 7.486 1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 78 176.920 8.670 0.731 1.00 0.00 H new ATOM 1242 N ASN A 79 176.805 8.518 6.631 1.00 0.00 N ATOM 1243 CA ASN A 79 177.223 9.412 7.703 1.00 0.00 C ATOM 1244 C ASN A 79 178.289 8.740 8.571 1.00 0.00 C ATOM 1245 O ASN A 79 179.331 9.330 8.865 1.00 0.00 O ATOM 1246 CB ASN A 79 176.003 9.829 8.545 1.00 0.00 C ATOM 1247 CG ASN A 79 176.173 9.569 10.033 1.00 0.00 C ATOM 1248 OD1 ASN A 79 176.699 10.408 10.765 1.00 0.00 O ATOM 1249 ND2 ASN A 79 175.729 8.402 10.483 1.00 0.00 N ATOM 0 H ASN A 79 175.844 8.186 6.707 1.00 0.00 H new ATOM 0 HA ASN A 79 177.662 10.310 7.268 1.00 0.00 H new ATOM 0 HB2 ASN A 79 175.811 10.891 8.390 1.00 0.00 H new ATOM 0 HB3 ASN A 79 175.125 9.291 8.189 1.00 0.00 H new ATOM 0 HD21 ASN A 79 175.817 8.170 11.472 1.00 0.00 H new ATOM 0 HD22 ASN A 79 175.300 7.737 9.839 1.00 0.00 H new ATOM 1256 N LYS A 80 178.019 7.502 8.972 1.00 0.00 N ATOM 1257 CA LYS A 80 178.951 6.745 9.802 1.00 0.00 C ATOM 1258 C LYS A 80 180.293 6.574 9.097 1.00 0.00 C ATOM 1259 O LYS A 80 181.341 6.906 9.648 1.00 0.00 O ATOM 1260 CB LYS A 80 178.363 5.374 10.140 1.00 0.00 C ATOM 1261 CG LYS A 80 177.114 5.443 11.003 1.00 0.00 C ATOM 1262 CD LYS A 80 177.405 6.072 12.355 1.00 0.00 C ATOM 1263 CE LYS A 80 176.206 5.976 13.286 1.00 0.00 C ATOM 1264 NZ LYS A 80 176.011 7.223 14.078 1.00 0.00 N ATOM 0 H LYS A 80 177.162 7.001 8.736 1.00 0.00 H new ATOM 0 HA LYS A 80 179.114 7.303 10.724 1.00 0.00 H new ATOM 0 HB2 LYS A 80 178.126 4.851 9.213 1.00 0.00 H new ATOM 0 HB3 LYS A 80 179.118 4.781 10.656 1.00 0.00 H new ATOM 0 HG2 LYS A 80 176.347 6.022 10.489 1.00 0.00 H new ATOM 0 HG3 LYS A 80 176.714 4.439 11.146 1.00 0.00 H new ATOM 0 HD2 LYS A 80 178.261 5.576 12.811 1.00 0.00 H new ATOM 0 HD3 LYS A 80 177.678 7.118 12.219 1.00 0.00 H new ATOM 0 HE2 LYS A 80 175.309 5.774 12.701 1.00 0.00 H new ATOM 0 HE3 LYS A 80 176.341 5.133 13.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 175.308 7.053 14.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 176.914 7.505 14.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 175.674 7.982 13.452 1.00 0.00 H new ATOM 1278 N LEU A 81 180.252 6.053 7.874 1.00 0.00 N ATOM 1279 CA LEU A 81 181.466 5.837 7.095 1.00 0.00 C ATOM 1280 C LEU A 81 182.240 7.141 6.917 1.00 0.00 C ATOM 1281 O LEU A 81 183.464 7.134 6.794 1.00 0.00 O ATOM 1282 CB LEU A 81 181.122 5.241 5.728 1.00 0.00 C ATOM 1283 CG LEU A 81 182.154 4.259 5.165 1.00 0.00 C ATOM 1284 CD1 LEU A 81 183.386 5.002 4.675 1.00 0.00 C ATOM 1285 CD2 LEU A 81 182.535 3.221 6.210 1.00 0.00 C ATOM 0 H LEU A 81 179.392 5.773 7.402 1.00 0.00 H new ATOM 0 HA LEU A 81 182.097 5.135 7.640 1.00 0.00 H new ATOM 0 HB2 LEU A 81 180.162 4.730 5.804 1.00 0.00 H new ATOM 0 HB3 LEU A 81 180.994 6.056 5.016 1.00 0.00 H new ATOM 0 HG LEU A 81 181.706 3.741 4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 81 184.108 4.288 4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 81 183.100 5.703 3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 81 183.835 5.549 5.504 1.00 0.00 H new ATOM 0 HD21 LEU A 81 183.269 2.534 5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 81 182.962 3.720 7.080 1.00 0.00 H new ATOM 0 HD23 LEU A 81 181.647 2.665 6.511 1.00 0.00 H new ATOM 1297 N GLU A 82 181.517 8.257 6.913 1.00 0.00 N ATOM 1298 CA GLU A 82 182.139 9.567 6.756 1.00 0.00 C ATOM 1299 C GLU A 82 183.083 9.860 7.918 1.00 0.00 C ATOM 1300 O GLU A 82 184.257 10.167 7.716 1.00 0.00 O ATOM 1301 CB GLU A 82 181.068 10.657 6.667 1.00 0.00 C ATOM 1302 CG GLU A 82 181.513 11.884 5.889 1.00 0.00 C ATOM 1303 CD GLU A 82 180.353 12.782 5.506 1.00 0.00 C ATOM 1304 OE1 GLU A 82 179.508 12.346 4.697 1.00 0.00 O ATOM 1305 OE2 GLU A 82 180.291 13.921 6.014 1.00 0.00 O ATOM 0 H GLU A 82 180.503 8.280 7.016 1.00 0.00 H new ATOM 0 HA GLU A 82 182.717 9.560 5.832 1.00 0.00 H new ATOM 0 HB2 GLU A 82 180.177 10.242 6.196 1.00 0.00 H new ATOM 0 HB3 GLU A 82 180.784 10.959 7.675 1.00 0.00 H new ATOM 0 HG2 GLU A 82 182.225 12.452 6.488 1.00 0.00 H new ATOM 0 HG3 GLU A 82 182.037 11.568 4.987 1.00 0.00 H new ATOM 1312 N ARG A 83 182.560 9.761 9.137 1.00 0.00 N ATOM 1313 CA ARG A 83 183.357 10.014 10.333 1.00 0.00 C ATOM 1314 C ARG A 83 184.544 9.060 10.411 1.00 0.00 C ATOM 1315 O ARG A 83 185.681 9.480 10.634 1.00 0.00 O ATOM 1316 CB ARG A 83 182.491 9.870 11.586 1.00 0.00 C ATOM 1317 CG ARG A 83 183.142 10.423 12.844 1.00 0.00 C ATOM 1318 CD ARG A 83 182.110 10.717 13.921 1.00 0.00 C ATOM 1319 NE ARG A 83 182.606 11.671 14.911 1.00 0.00 N ATOM 1320 CZ ARG A 83 181.818 12.399 15.700 1.00 0.00 C ATOM 1321 NH1 ARG A 83 180.498 12.283 15.621 1.00 0.00 N ATOM 1322 NH2 ARG A 83 182.352 13.244 16.571 1.00 0.00 N ATOM 0 H ARG A 83 181.589 9.508 9.322 1.00 0.00 H new ATOM 0 HA ARG A 83 183.738 11.034 10.275 1.00 0.00 H new ATOM 0 HB2 ARG A 83 181.543 10.382 11.423 1.00 0.00 H new ATOM 0 HB3 ARG A 83 182.261 8.816 11.739 1.00 0.00 H new ATOM 0 HG2 ARG A 83 183.871 9.707 13.223 1.00 0.00 H new ATOM 0 HG3 ARG A 83 183.687 11.335 12.602 1.00 0.00 H new ATOM 0 HD2 ARG A 83 181.206 11.113 13.458 1.00 0.00 H new ATOM 0 HD3 ARG A 83 181.833 9.788 14.420 1.00 0.00 H new ATOM 0 HE ARG A 83 183.615 11.786 15.003 1.00 0.00 H new ATOM 0 HH11 ARG A 83 180.082 11.634 14.953 1.00 0.00 H new ATOM 0 HH12 ARG A 83 179.900 12.843 16.228 1.00 0.00 H new ATOM 0 HH21 ARG A 83 183.366 13.336 16.636 1.00 0.00 H new ATOM 0 HH22 ARG A 83 181.749 13.802 17.176 1.00 0.00 H new ATOM 1336 N GLN A 84 184.274 7.772 10.224 1.00 0.00 N ATOM 1337 CA GLN A 84 185.319 6.755 10.271 1.00 0.00 C ATOM 1338 C GLN A 84 186.381 7.021 9.212 1.00 0.00 C ATOM 1339 O GLN A 84 187.563 6.739 9.417 1.00 0.00 O ATOM 1340 CB GLN A 84 184.715 5.364 10.062 1.00 0.00 C ATOM 1341 CG GLN A 84 183.541 5.062 10.984 1.00 0.00 C ATOM 1342 CD GLN A 84 182.775 3.809 10.589 1.00 0.00 C ATOM 1343 OE1 GLN A 84 182.692 3.539 9.289 1.00 0.00 O flip ATOM 1344 NE2 GLN A 84 182.262 3.089 11.445 1.00 0.00 N flip ATOM 0 H GLN A 84 183.340 7.407 10.038 1.00 0.00 H new ATOM 0 HA GLN A 84 185.789 6.797 11.253 1.00 0.00 H new ATOM 0 HB2 GLN A 84 184.386 5.272 9.027 1.00 0.00 H new ATOM 0 HB3 GLN A 84 185.490 4.614 10.218 1.00 0.00 H new ATOM 0 HG2 GLN A 84 183.908 4.949 12.004 1.00 0.00 H new ATOM 0 HG3 GLN A 84 182.859 5.912 10.983 1.00 0.00 H new ATOM 0 HE21 GLN A 84 182.348 3.330 12.432 1.00 0.00 H new ATOM 0 HE22 GLN A 84 181.751 2.251 11.167 1.00 0.00 H new ATOM 1353 N LEU A 85 185.953 7.564 8.077 1.00 0.00 N ATOM 1354 CA LEU A 85 186.866 7.866 6.981 1.00 0.00 C ATOM 1355 C LEU A 85 187.915 8.886 7.411 1.00 0.00 C ATOM 1356 O LEU A 85 189.116 8.650 7.276 1.00 0.00 O ATOM 1357 CB LEU A 85 186.088 8.390 5.771 1.00 0.00 C ATOM 1358 CG LEU A 85 186.079 7.461 4.558 1.00 0.00 C ATOM 1359 CD1 LEU A 85 185.015 7.893 3.561 1.00 0.00 C ATOM 1360 CD2 LEU A 85 187.450 7.433 3.900 1.00 0.00 C ATOM 0 H LEU A 85 184.979 7.804 7.892 1.00 0.00 H new ATOM 0 HA LEU A 85 187.378 6.945 6.702 1.00 0.00 H new ATOM 0 HB2 LEU A 85 185.058 8.578 6.074 1.00 0.00 H new ATOM 0 HB3 LEU A 85 186.512 9.349 5.473 1.00 0.00 H new ATOM 0 HG LEU A 85 185.840 6.453 4.897 1.00 0.00 H new ATOM 0 HD11 LEU A 85 185.024 7.219 2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 85 184.035 7.861 4.038 1.00 0.00 H new ATOM 0 HD13 LEU A 85 185.222 8.909 3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 85 187.426 6.767 3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 85 187.718 8.438 3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 85 188.190 7.074 4.616 1.00 0.00 H new ATOM 1372 N ASN A 86 187.456 10.022 7.929 1.00 0.00 N ATOM 1373 CA ASN A 86 188.358 11.078 8.377 1.00 0.00 C ATOM 1374 C ASN A 86 189.373 10.542 9.381 1.00 0.00 C ATOM 1375 O ASN A 86 190.549 10.903 9.345 1.00 0.00 O ATOM 1376 CB ASN A 86 187.562 12.225 9.005 1.00 0.00 C ATOM 1377 CG ASN A 86 186.509 12.778 8.067 1.00 0.00 C ATOM 1378 OD1 ASN A 86 186.827 13.330 7.013 1.00 0.00 O ATOM 1379 ND2 ASN A 86 185.244 12.636 8.447 1.00 0.00 N ATOM 0 H ASN A 86 186.466 10.234 8.049 1.00 0.00 H new ATOM 0 HA ASN A 86 188.898 11.450 7.507 1.00 0.00 H new ATOM 0 HB2 ASN A 86 187.082 11.873 9.919 1.00 0.00 H new ATOM 0 HB3 ASN A 86 188.246 13.024 9.291 1.00 0.00 H new ATOM 0 HD21 ASN A 86 184.491 12.991 7.857 1.00 0.00 H new ATOM 0 HD22 ASN A 86 185.025 12.172 9.329 1.00 0.00 H new ATOM 1386 N LYS A 87 188.909 9.675 10.275 1.00 0.00 N ATOM 1387 CA LYS A 87 189.776 9.086 11.290 1.00 0.00 C ATOM 1388 C LYS A 87 190.925 8.314 10.645 1.00 0.00 C ATOM 1389 O LYS A 87 192.087 8.489 11.014 1.00 0.00 O ATOM 1390 CB LYS A 87 188.966 8.158 12.200 1.00 0.00 C ATOM 1391 CG LYS A 87 189.813 7.383 13.198 1.00 0.00 C ATOM 1392 CD LYS A 87 190.152 5.995 12.679 1.00 0.00 C ATOM 1393 CE LYS A 87 188.935 5.084 12.679 1.00 0.00 C ATOM 1394 NZ LYS A 87 189.089 3.952 11.726 1.00 0.00 N ATOM 0 H LYS A 87 187.938 9.365 10.318 1.00 0.00 H new ATOM 0 HA LYS A 87 190.199 9.893 11.888 1.00 0.00 H new ATOM 0 HB2 LYS A 87 188.230 8.750 12.745 1.00 0.00 H new ATOM 0 HB3 LYS A 87 188.412 7.451 11.582 1.00 0.00 H new ATOM 0 HG2 LYS A 87 190.733 7.932 13.400 1.00 0.00 H new ATOM 0 HG3 LYS A 87 189.278 7.299 14.144 1.00 0.00 H new ATOM 0 HD2 LYS A 87 190.550 6.072 11.667 1.00 0.00 H new ATOM 0 HD3 LYS A 87 190.935 5.556 13.297 1.00 0.00 H new ATOM 0 HE2 LYS A 87 188.774 4.693 13.684 1.00 0.00 H new ATOM 0 HE3 LYS A 87 188.049 5.662 12.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 188.332 3.257 11.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 189.030 4.309 10.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 190.013 3.498 11.873 1.00 0.00 H new ATOM 1408 N LEU A 88 190.593 7.459 9.684 1.00 0.00 N ATOM 1409 CA LEU A 88 191.596 6.658 8.991 1.00 0.00 C ATOM 1410 C LEU A 88 192.262 7.444 7.862 1.00 0.00 C ATOM 1411 O LEU A 88 193.288 7.026 7.327 1.00 0.00 O ATOM 1412 CB LEU A 88 190.958 5.384 8.432 1.00 0.00 C ATOM 1413 CG LEU A 88 191.906 4.474 7.645 1.00 0.00 C ATOM 1414 CD1 LEU A 88 191.830 3.043 8.159 1.00 0.00 C ATOM 1415 CD2 LEU A 88 191.583 4.526 6.158 1.00 0.00 C ATOM 0 H LEU A 88 189.636 7.303 9.367 1.00 0.00 H new ATOM 0 HA LEU A 88 192.366 6.392 9.715 1.00 0.00 H new ATOM 0 HB2 LEU A 88 190.536 4.814 9.260 1.00 0.00 H new ATOM 0 HB3 LEU A 88 190.128 5.666 7.784 1.00 0.00 H new ATOM 0 HG LEU A 88 192.924 4.834 7.790 1.00 0.00 H new ATOM 0 HD11 LEU A 88 192.511 2.414 7.586 1.00 0.00 H new ATOM 0 HD12 LEU A 88 192.112 3.019 9.211 1.00 0.00 H new ATOM 0 HD13 LEU A 88 190.812 2.670 8.048 1.00 0.00 H new ATOM 0 HD21 LEU A 88 192.266 3.874 5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 88 190.558 4.193 5.997 1.00 0.00 H new ATOM 0 HD23 LEU A 88 191.693 5.549 5.797 1.00 0.00 H new