USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=25 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 8 LYS NZ :NH3+ -147:sc= 0.163 (180deg=0) USER MOD Set 1.2: A 9 GLN : amide:sc= -0.194 K(o=-0.031,f=-3.3) USER MOD Set 2.1: A 6 THR OG1 : rot 52:sc= 0.468 USER MOD Set 2.2: A 38 HIS : no HD1:sc= 0 X(o=0.47,f=0.39) USER MOD Set 3.1: A 2 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 4 ASN : amide:sc=-0.00227 X(o=-0.17,f=0.11) USER MOD Set 3.3: A 36 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.65) USER MOD Single : A 1 MET CE :methyl 175:sc= -2.36 (180deg=-2.72) USER MOD Single : A 1 MET N :NH3+ 162:sc=-0.000456 (180deg=-0.262) USER MOD Single : A 3 MET CE :methyl -169:sc= -0.0844 (180deg=-0.105) USER MOD Single : A 7 SER OG : rot -112:sc= 0.607 USER MOD Single : A 10 MET CE :methyl -169:sc= -1.89 (180deg=-2.04) USER MOD Single : A 13 THR OG1 : rot 112:sc= -2.32! USER MOD Single : A 18 GLN : amide:sc= -0.679 K(o=-0.68,f=-4.7!) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -2.04 F(o=-3.8,f=-2) 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 :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 32 THR OG1 : rot -90:sc= -5.3! USER MOD Single : A 33 HIS :FLIP no HD1:sc= -1.96! C(o=-2.9!,f=-2!) USER MOD Single : A 42 SER OG : rot 130:sc= -0.534 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.609 X(o=-0.61,f=-0.35) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.313 F(o=-1.2,f=-0.31) USER MOD Single : A 56 THR OG1 : rot -178:sc= -2.13 USER MOD Single : A 58 ASN :FLIP amide:sc= -0.272 F(o=-1.1,f=-0.27) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0293) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -3.21! C(o=-5!,f=-3.2!) USER MOD Single : A 70 MET CE :methyl -141:sc= -0.408 (180deg=-1.58!) USER MOD Single : A 71 TYR OH : rot 180:sc= -3.04! USER MOD Single : A 72 THR OG1 : rot 180:sc= -1.36 USER MOD Single : A 75 ASN : amide:sc= -1.34 K(o=-1.3,f=-7.1!) USER MOD Single : A 79 ASN : amide:sc= 0.445 K(o=0.45,f=-1.4) USER MOD Single : A 80 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0249) USER MOD Single : A 84 GLN : amide:sc= -5.31! C(o=-5.3!,f=-7!) USER MOD Single : A 86 ASN : amide:sc= -1.57 X(o=-1.6,f=-1.5) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 186.865 -0.346 -7.789 1.00 0.00 N ATOM 2 CA MET A 1 185.449 -0.365 -7.340 1.00 0.00 C ATOM 3 C MET A 1 184.612 -1.319 -8.186 1.00 0.00 C ATOM 4 O MET A 1 184.036 -0.924 -9.200 1.00 0.00 O ATOM 5 CB MET A 1 184.887 1.054 -7.433 1.00 0.00 C ATOM 6 CG MET A 1 185.063 1.690 -8.804 1.00 0.00 C ATOM 7 SD MET A 1 183.601 2.600 -9.342 1.00 0.00 S ATOM 8 CE MET A 1 182.410 1.270 -9.489 1.00 0.00 C ATOM 0 H1 MET A 1 187.335 0.506 -7.420 1.00 0.00 H new ATOM 0 H2 MET A 1 187.353 -1.192 -7.433 1.00 0.00 H new ATOM 0 H3 MET A 1 186.900 -0.338 -8.828 1.00 0.00 H new ATOM 0 HA MET A 1 185.408 -0.719 -6.310 1.00 0.00 H new ATOM 0 HB2 MET A 1 183.826 1.033 -7.185 1.00 0.00 H new ATOM 0 HB3 MET A 1 185.376 1.679 -6.686 1.00 0.00 H new ATOM 0 HG2 MET A 1 185.918 2.366 -8.780 1.00 0.00 H new ATOM 0 HG3 MET A 1 185.291 0.913 -9.534 1.00 0.00 H new ATOM 0 HE1 MET A 1 181.430 1.684 -9.728 1.00 0.00 H new ATOM 0 HE2 MET A 1 182.720 0.590 -10.282 1.00 0.00 H new ATOM 0 HE3 MET A 1 182.354 0.726 -8.546 1.00 0.00 H new ATOM 20 N THR A 2 184.549 -2.576 -7.762 1.00 0.00 N ATOM 21 CA THR A 2 183.781 -3.589 -8.478 1.00 0.00 C ATOM 22 C THR A 2 182.287 -3.463 -8.181 1.00 0.00 C ATOM 23 O THR A 2 181.454 -4.006 -8.907 1.00 0.00 O ATOM 24 CB THR A 2 184.269 -4.988 -8.100 1.00 0.00 C ATOM 25 OG1 THR A 2 184.082 -5.228 -6.717 1.00 0.00 O ATOM 26 CG2 THR A 2 185.734 -5.215 -8.411 1.00 0.00 C ATOM 0 H THR A 2 185.021 -2.919 -6.925 1.00 0.00 H new ATOM 0 HA THR A 2 183.932 -3.431 -9.546 1.00 0.00 H new ATOM 0 HB THR A 2 183.675 -5.674 -8.704 1.00 0.00 H new ATOM 0 HG1 THR A 2 184.399 -6.129 -6.496 1.00 0.00 H new ATOM 0 HG21 THR A 2 186.016 -6.227 -8.118 1.00 0.00 H new ATOM 0 HG22 THR A 2 185.903 -5.086 -9.480 1.00 0.00 H new ATOM 0 HG23 THR A 2 186.339 -4.496 -7.859 1.00 0.00 H new ATOM 34 N MET A 3 181.954 -2.747 -7.109 1.00 0.00 N ATOM 35 CA MET A 3 180.560 -2.555 -6.719 1.00 0.00 C ATOM 36 C MET A 3 179.871 -3.896 -6.488 1.00 0.00 C ATOM 37 O MET A 3 179.153 -4.394 -7.354 1.00 0.00 O ATOM 38 CB MET A 3 179.810 -1.760 -7.790 1.00 0.00 C ATOM 39 CG MET A 3 178.414 -1.335 -7.364 1.00 0.00 C ATOM 40 SD MET A 3 178.388 0.293 -6.590 1.00 0.00 S ATOM 41 CE MET A 3 177.432 -0.050 -5.115 1.00 0.00 C ATOM 0 H MET A 3 182.630 -2.291 -6.496 1.00 0.00 H new ATOM 0 HA MET A 3 180.545 -1.993 -5.785 1.00 0.00 H new ATOM 0 HB2 MET A 3 180.389 -0.873 -8.045 1.00 0.00 H new ATOM 0 HB3 MET A 3 179.737 -2.364 -8.695 1.00 0.00 H new ATOM 0 HG2 MET A 3 177.759 -1.329 -8.235 1.00 0.00 H new ATOM 0 HG3 MET A 3 178.012 -2.070 -6.667 1.00 0.00 H new ATOM 0 HE1 MET A 3 177.161 0.888 -4.631 1.00 0.00 H new ATOM 0 HE2 MET A 3 176.527 -0.593 -5.386 1.00 0.00 H new ATOM 0 HE3 MET A 3 178.026 -0.654 -4.429 1.00 0.00 H new ATOM 51 N ASN A 4 180.096 -4.475 -5.313 1.00 0.00 N ATOM 52 CA ASN A 4 179.497 -5.759 -4.966 1.00 0.00 C ATOM 53 C ASN A 4 178.321 -5.569 -4.015 1.00 0.00 C ATOM 54 O ASN A 4 178.505 -5.246 -2.843 1.00 0.00 O ATOM 55 CB ASN A 4 180.542 -6.678 -4.327 1.00 0.00 C ATOM 56 CG ASN A 4 181.126 -7.664 -5.318 1.00 0.00 C ATOM 57 OD1 ASN A 4 181.172 -8.867 -5.061 1.00 0.00 O ATOM 58 ND2 ASN A 4 181.578 -7.159 -6.461 1.00 0.00 N ATOM 0 H ASN A 4 180.689 -4.076 -4.585 1.00 0.00 H new ATOM 0 HA ASN A 4 179.130 -6.221 -5.883 1.00 0.00 H new ATOM 0 HB2 ASN A 4 181.344 -6.073 -3.905 1.00 0.00 H new ATOM 0 HB3 ASN A 4 180.086 -7.224 -3.501 1.00 0.00 H new ATOM 0 HD21 ASN A 4 181.983 -7.775 -7.166 1.00 0.00 H new ATOM 0 HD22 ASN A 4 181.520 -6.155 -6.633 1.00 0.00 H new ATOM 65 N ILE A 5 177.112 -5.772 -4.529 1.00 0.00 N ATOM 66 CA ILE A 5 175.904 -5.624 -3.726 1.00 0.00 C ATOM 67 C ILE A 5 175.226 -6.973 -3.512 1.00 0.00 C ATOM 68 O ILE A 5 174.628 -7.529 -4.433 1.00 0.00 O ATOM 69 CB ILE A 5 174.896 -4.646 -4.377 1.00 0.00 C ATOM 70 CG1 ILE A 5 175.529 -3.924 -5.572 1.00 0.00 C ATOM 71 CG2 ILE A 5 174.399 -3.639 -3.349 1.00 0.00 C ATOM 72 CD1 ILE A 5 174.616 -2.906 -6.219 1.00 0.00 C ATOM 0 H ILE A 5 176.943 -6.040 -5.499 1.00 0.00 H new ATOM 0 HA ILE A 5 176.213 -5.214 -2.765 1.00 0.00 H new ATOM 0 HB ILE A 5 174.046 -5.223 -4.741 1.00 0.00 H new ATOM 0 HG12 ILE A 5 176.440 -3.425 -5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 5 175.822 -4.663 -6.318 1.00 0.00 H new ATOM 0 HG21 ILE A 5 173.691 -2.957 -3.820 1.00 0.00 H new ATOM 0 HG22 ILE A 5 173.906 -4.166 -2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 5 175.243 -3.072 -2.958 1.00 0.00 H new ATOM 0 HD11 ILE A 5 175.131 -2.436 -7.057 1.00 0.00 H new ATOM 0 HD12 ILE A 5 173.715 -3.402 -6.580 1.00 0.00 H new ATOM 0 HD13 ILE A 5 174.343 -2.145 -5.488 1.00 0.00 H new ATOM 84 N THR A 6 175.327 -7.495 -2.294 1.00 0.00 N ATOM 85 CA THR A 6 174.725 -8.784 -1.966 1.00 0.00 C ATOM 86 C THR A 6 173.892 -8.693 -0.692 1.00 0.00 C ATOM 87 O THR A 6 174.428 -8.705 0.415 1.00 0.00 O ATOM 88 CB THR A 6 175.811 -9.848 -1.801 1.00 0.00 C ATOM 89 OG1 THR A 6 176.782 -9.433 -0.857 1.00 0.00 O ATOM 90 CG2 THR A 6 176.534 -10.172 -3.092 1.00 0.00 C ATOM 0 H THR A 6 175.818 -7.048 -1.520 1.00 0.00 H new ATOM 0 HA THR A 6 174.066 -9.066 -2.787 1.00 0.00 H new ATOM 0 HB THR A 6 175.288 -10.742 -1.462 1.00 0.00 H new ATOM 0 HG1 THR A 6 176.337 -9.167 -0.025 1.00 0.00 H new ATOM 0 HG21 THR A 6 177.291 -10.934 -2.904 1.00 0.00 H new ATOM 0 HG22 THR A 6 175.819 -10.544 -3.826 1.00 0.00 H new ATOM 0 HG23 THR A 6 177.013 -9.272 -3.477 1.00 0.00 H new ATOM 98 N SER A 7 172.575 -8.610 -0.857 1.00 0.00 N ATOM 99 CA SER A 7 171.665 -8.526 0.281 1.00 0.00 C ATOM 100 C SER A 7 171.231 -9.922 0.721 1.00 0.00 C ATOM 101 O SER A 7 171.336 -10.882 -0.042 1.00 0.00 O ATOM 102 CB SER A 7 170.444 -7.678 -0.078 1.00 0.00 C ATOM 103 OG SER A 7 170.805 -6.320 -0.258 1.00 0.00 O ATOM 0 H SER A 7 172.114 -8.599 -1.767 1.00 0.00 H new ATOM 0 HA SER A 7 172.189 -8.050 1.110 1.00 0.00 H new ATOM 0 HB2 SER A 7 169.987 -8.061 -0.990 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.696 -7.758 0.711 1.00 0.00 H new ATOM 0 HG SER A 7 170.423 -5.781 0.466 1.00 0.00 H new ATOM 109 N LYS A 8 170.752 -10.033 1.957 1.00 0.00 N ATOM 110 CA LYS A 8 170.313 -11.318 2.492 1.00 0.00 C ATOM 111 C LYS A 8 168.968 -11.738 1.896 1.00 0.00 C ATOM 112 O LYS A 8 168.923 -12.427 0.875 1.00 0.00 O ATOM 113 CB LYS A 8 170.226 -11.258 4.019 1.00 0.00 C ATOM 114 CG LYS A 8 171.584 -11.221 4.701 1.00 0.00 C ATOM 115 CD LYS A 8 171.447 -11.046 6.205 1.00 0.00 C ATOM 116 CE LYS A 8 170.716 -12.219 6.840 1.00 0.00 C ATOM 117 NZ LYS A 8 169.396 -11.816 7.398 1.00 0.00 N ATOM 0 H LYS A 8 170.658 -9.251 2.605 1.00 0.00 H new ATOM 0 HA LYS A 8 171.052 -12.068 2.211 1.00 0.00 H new ATOM 0 HB2 LYS A 8 169.658 -10.374 4.309 1.00 0.00 H new ATOM 0 HB3 LYS A 8 169.671 -12.125 4.378 1.00 0.00 H new ATOM 0 HG2 LYS A 8 172.124 -12.144 4.489 1.00 0.00 H new ATOM 0 HG3 LYS A 8 172.176 -10.403 4.291 1.00 0.00 H new ATOM 0 HD2 LYS A 8 172.436 -10.948 6.652 1.00 0.00 H new ATOM 0 HD3 LYS A 8 170.908 -10.123 6.417 1.00 0.00 H new ATOM 0 HE2 LYS A 8 170.571 -13.002 6.096 1.00 0.00 H new ATOM 0 HE3 LYS A 8 171.331 -12.643 7.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 169.188 -12.386 8.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 169.421 -10.809 7.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 168.656 -11.971 6.684 1.00 0.00 H new ATOM 131 N GLN A 9 167.874 -11.327 2.532 1.00 0.00 N ATOM 132 CA GLN A 9 166.540 -11.671 2.053 1.00 0.00 C ATOM 133 C GLN A 9 165.913 -10.502 1.301 1.00 0.00 C ATOM 134 O GLN A 9 165.086 -10.695 0.412 1.00 0.00 O ATOM 135 CB GLN A 9 165.643 -12.088 3.223 1.00 0.00 C ATOM 136 CG GLN A 9 165.387 -10.974 4.225 1.00 0.00 C ATOM 137 CD GLN A 9 166.335 -11.021 5.405 1.00 0.00 C ATOM 138 OE1 GLN A 9 166.633 -12.091 5.935 1.00 0.00 O ATOM 139 NE2 GLN A 9 166.814 -9.856 5.824 1.00 0.00 N ATOM 0 H GLN A 9 167.886 -10.757 3.378 1.00 0.00 H new ATOM 0 HA GLN A 9 166.634 -12.511 1.364 1.00 0.00 H new ATOM 0 HB2 GLN A 9 164.688 -12.438 2.830 1.00 0.00 H new ATOM 0 HB3 GLN A 9 166.103 -12.930 3.740 1.00 0.00 H new ATOM 0 HG2 GLN A 9 165.484 -10.011 3.724 1.00 0.00 H new ATOM 0 HG3 GLN A 9 164.361 -11.044 4.586 1.00 0.00 H new ATOM 0 HE21 GLN A 9 166.540 -8.993 5.354 1.00 0.00 H new ATOM 0 HE22 GLN A 9 167.456 -9.824 6.616 1.00 0.00 H new ATOM 148 N MET A 10 166.316 -9.288 1.662 1.00 0.00 N ATOM 149 CA MET A 10 165.797 -8.088 1.018 1.00 0.00 C ATOM 150 C MET A 10 166.623 -7.738 -0.215 1.00 0.00 C ATOM 151 O MET A 10 167.653 -7.072 -0.115 1.00 0.00 O ATOM 152 CB MET A 10 165.802 -6.914 2.002 1.00 0.00 C ATOM 153 CG MET A 10 165.321 -5.604 1.399 1.00 0.00 C ATOM 154 SD MET A 10 163.591 -5.259 1.772 1.00 0.00 S ATOM 155 CE MET A 10 162.844 -6.846 1.416 1.00 0.00 C ATOM 0 H MET A 10 167.000 -9.110 2.397 1.00 0.00 H new ATOM 0 HA MET A 10 164.772 -8.284 0.704 1.00 0.00 H new ATOM 0 HB2 MET A 10 165.170 -7.164 2.854 1.00 0.00 H new ATOM 0 HB3 MET A 10 166.814 -6.777 2.384 1.00 0.00 H new ATOM 0 HG2 MET A 10 165.939 -4.788 1.774 1.00 0.00 H new ATOM 0 HG3 MET A 10 165.456 -5.635 0.318 1.00 0.00 H new ATOM 0 HE1 MET A 10 161.759 -6.744 1.409 1.00 0.00 H new ATOM 0 HE2 MET A 10 163.182 -7.197 0.441 1.00 0.00 H new ATOM 0 HE3 MET A 10 163.136 -7.565 2.181 1.00 0.00 H new ATOM 165 N GLU A 11 166.163 -8.189 -1.379 1.00 0.00 N ATOM 166 CA GLU A 11 166.861 -7.921 -2.631 1.00 0.00 C ATOM 167 C GLU A 11 167.055 -6.421 -2.834 1.00 0.00 C ATOM 168 O GLU A 11 166.660 -5.616 -1.991 1.00 0.00 O ATOM 169 CB GLU A 11 166.085 -8.510 -3.811 1.00 0.00 C ATOM 170 CG GLU A 11 164.588 -8.255 -3.744 1.00 0.00 C ATOM 171 CD GLU A 11 163.898 -8.485 -5.074 1.00 0.00 C ATOM 172 OE1 GLU A 11 164.214 -9.493 -5.740 1.00 0.00 O ATOM 173 OE2 GLU A 11 163.042 -7.656 -5.450 1.00 0.00 O ATOM 0 H GLU A 11 165.311 -8.741 -1.480 1.00 0.00 H new ATOM 0 HA GLU A 11 167.842 -8.394 -2.579 1.00 0.00 H new ATOM 0 HB2 GLU A 11 166.475 -8.090 -4.738 1.00 0.00 H new ATOM 0 HB3 GLU A 11 166.260 -9.585 -3.850 1.00 0.00 H new ATOM 0 HG2 GLU A 11 164.145 -8.907 -2.991 1.00 0.00 H new ATOM 0 HG3 GLU A 11 164.412 -7.229 -3.420 1.00 0.00 H new ATOM 180 N ILE A 12 167.669 -6.052 -3.952 1.00 0.00 N ATOM 181 CA ILE A 12 167.917 -4.647 -4.258 1.00 0.00 C ATOM 182 C ILE A 12 166.809 -4.071 -5.134 1.00 0.00 C ATOM 183 O ILE A 12 166.678 -4.432 -6.303 1.00 0.00 O ATOM 184 CB ILE A 12 169.273 -4.441 -4.968 1.00 0.00 C ATOM 185 CG1 ILE A 12 170.261 -5.548 -4.589 1.00 0.00 C ATOM 186 CG2 ILE A 12 169.844 -3.075 -4.621 1.00 0.00 C ATOM 187 CD1 ILE A 12 170.403 -5.754 -3.096 1.00 0.00 C ATOM 0 H ILE A 12 168.004 -6.704 -4.661 1.00 0.00 H new ATOM 0 HA ILE A 12 167.938 -4.123 -3.302 1.00 0.00 H new ATOM 0 HB ILE A 12 169.109 -4.489 -6.044 1.00 0.00 H new ATOM 0 HG12 ILE A 12 169.938 -6.483 -5.046 1.00 0.00 H new ATOM 0 HG13 ILE A 12 171.238 -5.309 -5.008 1.00 0.00 H new ATOM 0 HG21 ILE A 12 170.800 -2.941 -5.127 1.00 0.00 H new ATOM 0 HG22 ILE A 12 169.151 -2.298 -4.943 1.00 0.00 H new ATOM 0 HG23 ILE A 12 169.991 -3.005 -3.543 1.00 0.00 H new ATOM 0 HD11 ILE A 12 171.119 -6.553 -2.905 1.00 0.00 H new ATOM 0 HD12 ILE A 12 170.757 -4.832 -2.634 1.00 0.00 H new ATOM 0 HD13 ILE A 12 169.436 -6.025 -2.672 1.00 0.00 H new ATOM 199 N THR A 13 166.016 -3.173 -4.560 1.00 0.00 N ATOM 200 CA THR A 13 164.921 -2.543 -5.287 1.00 0.00 C ATOM 201 C THR A 13 165.448 -1.437 -6.198 1.00 0.00 C ATOM 202 O THR A 13 166.521 -0.884 -5.957 1.00 0.00 O ATOM 203 CB THR A 13 163.897 -1.967 -4.306 1.00 0.00 C ATOM 204 OG1 THR A 13 164.384 -0.776 -3.713 1.00 0.00 O ATOM 205 CG2 THR A 13 163.534 -2.921 -3.186 1.00 0.00 C ATOM 0 H THR A 13 166.111 -2.865 -3.592 1.00 0.00 H new ATOM 0 HA THR A 13 164.436 -3.301 -5.903 1.00 0.00 H new ATOM 0 HB THR A 13 163.005 -1.776 -4.902 1.00 0.00 H new ATOM 0 HG1 THR A 13 163.856 -0.014 -4.029 1.00 0.00 H new ATOM 0 HG21 THR A 13 162.804 -2.449 -2.528 1.00 0.00 H new ATOM 0 HG22 THR A 13 163.107 -3.831 -3.607 1.00 0.00 H new ATOM 0 HG23 THR A 13 164.429 -3.170 -2.616 1.00 0.00 H new ATOM 213 N PRO A 14 164.701 -1.098 -7.263 1.00 0.00 N ATOM 214 CA PRO A 14 165.102 -0.054 -8.209 1.00 0.00 C ATOM 215 C PRO A 14 165.411 1.272 -7.518 1.00 0.00 C ATOM 216 O PRO A 14 166.364 1.964 -7.877 1.00 0.00 O ATOM 217 CB PRO A 14 163.886 0.095 -9.138 1.00 0.00 C ATOM 218 CG PRO A 14 162.769 -0.619 -8.451 1.00 0.00 C ATOM 219 CD PRO A 14 163.412 -1.699 -7.631 1.00 0.00 C ATOM 0 HA PRO A 14 166.019 -0.323 -8.734 1.00 0.00 H new ATOM 0 HB2 PRO A 14 163.641 1.145 -9.298 1.00 0.00 H new ATOM 0 HB3 PRO A 14 164.085 -0.339 -10.118 1.00 0.00 H new ATOM 0 HG2 PRO A 14 162.199 0.063 -7.820 1.00 0.00 H new ATOM 0 HG3 PRO A 14 162.072 -1.041 -9.175 1.00 0.00 H new ATOM 0 HD2 PRO A 14 162.817 -1.950 -6.753 1.00 0.00 H new ATOM 0 HD3 PRO A 14 163.542 -2.618 -8.202 1.00 0.00 H new ATOM 227 N ALA A 15 164.598 1.621 -6.528 1.00 0.00 N ATOM 228 CA ALA A 15 164.785 2.865 -5.790 1.00 0.00 C ATOM 229 C ALA A 15 166.056 2.823 -4.946 1.00 0.00 C ATOM 230 O ALA A 15 166.856 3.757 -4.965 1.00 0.00 O ATOM 231 CB ALA A 15 163.575 3.144 -4.913 1.00 0.00 C ATOM 0 H ALA A 15 163.804 1.061 -6.218 1.00 0.00 H new ATOM 0 HA ALA A 15 164.891 3.673 -6.514 1.00 0.00 H new ATOM 0 HB1 ALA A 15 163.728 4.075 -4.368 1.00 0.00 H new ATOM 0 HB2 ALA A 15 162.686 3.231 -5.537 1.00 0.00 H new ATOM 0 HB3 ALA A 15 163.443 2.326 -4.204 1.00 0.00 H new ATOM 237 N ILE A 16 166.230 1.736 -4.202 1.00 0.00 N ATOM 238 CA ILE A 16 167.401 1.578 -3.346 1.00 0.00 C ATOM 239 C ILE A 16 168.679 1.431 -4.168 1.00 0.00 C ATOM 240 O ILE A 16 169.692 2.064 -3.869 1.00 0.00 O ATOM 241 CB ILE A 16 167.256 0.357 -2.413 1.00 0.00 C ATOM 242 CG1 ILE A 16 165.957 0.458 -1.609 1.00 0.00 C ATOM 243 CG2 ILE A 16 168.455 0.249 -1.478 1.00 0.00 C ATOM 244 CD1 ILE A 16 165.458 -0.878 -1.100 1.00 0.00 C ATOM 0 H ILE A 16 165.577 0.953 -4.174 1.00 0.00 H new ATOM 0 HA ILE A 16 167.470 2.482 -2.742 1.00 0.00 H new ATOM 0 HB ILE A 16 167.219 -0.544 -3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 16 166.114 1.125 -0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 16 165.187 0.911 -2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 16 168.333 -0.618 -0.829 1.00 0.00 H new ATOM 0 HG22 ILE A 16 169.366 0.137 -2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 16 168.524 1.151 -0.870 1.00 0.00 H new ATOM 0 HD11 ILE A 16 164.535 -0.732 -0.539 1.00 0.00 H new ATOM 0 HD12 ILE A 16 165.269 -1.541 -1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 16 166.211 -1.324 -0.450 1.00 0.00 H new ATOM 256 N ARG A 17 168.632 0.595 -5.204 1.00 0.00 N ATOM 257 CA ARG A 17 169.797 0.377 -6.056 1.00 0.00 C ATOM 258 C ARG A 17 170.343 1.704 -6.580 1.00 0.00 C ATOM 259 O ARG A 17 171.550 1.944 -6.550 1.00 0.00 O ATOM 260 CB ARG A 17 169.448 -0.570 -7.216 1.00 0.00 C ATOM 261 CG ARG A 17 168.991 0.124 -8.493 1.00 0.00 C ATOM 262 CD ARG A 17 168.879 -0.856 -9.651 1.00 0.00 C ATOM 263 NE ARG A 17 167.618 -0.707 -10.376 1.00 0.00 N ATOM 264 CZ ARG A 17 167.079 -1.662 -11.130 1.00 0.00 C ATOM 265 NH1 ARG A 17 167.692 -2.831 -11.275 1.00 0.00 N ATOM 266 NH2 ARG A 17 165.925 -1.447 -11.744 1.00 0.00 N ATOM 0 H ARG A 17 167.805 0.061 -5.472 1.00 0.00 H new ATOM 0 HA ARG A 17 170.577 -0.093 -5.456 1.00 0.00 H new ATOM 0 HB2 ARG A 17 170.322 -1.180 -7.444 1.00 0.00 H new ATOM 0 HB3 ARG A 17 168.662 -1.250 -6.887 1.00 0.00 H new ATOM 0 HG2 ARG A 17 168.025 0.601 -8.324 1.00 0.00 H new ATOM 0 HG3 ARG A 17 169.696 0.914 -8.751 1.00 0.00 H new ATOM 0 HD2 ARG A 17 169.712 -0.703 -10.337 1.00 0.00 H new ATOM 0 HD3 ARG A 17 168.961 -1.875 -9.273 1.00 0.00 H new ATOM 0 HE ARG A 17 167.122 0.181 -10.299 1.00 0.00 H new ATOM 0 HH11 ARG A 17 168.582 -3.002 -10.807 1.00 0.00 H new ATOM 0 HH12 ARG A 17 167.273 -3.558 -11.854 1.00 0.00 H new ATOM 0 HH21 ARG A 17 165.451 -0.550 -11.639 1.00 0.00 H new ATOM 0 HH22 ARG A 17 165.511 -2.178 -12.322 1.00 0.00 H new ATOM 280 N GLN A 18 169.446 2.562 -7.055 1.00 0.00 N ATOM 281 CA GLN A 18 169.839 3.864 -7.579 1.00 0.00 C ATOM 282 C GLN A 18 170.377 4.753 -6.459 1.00 0.00 C ATOM 283 O GLN A 18 171.253 5.589 -6.683 1.00 0.00 O ATOM 284 CB GLN A 18 168.651 4.543 -8.266 1.00 0.00 C ATOM 285 CG GLN A 18 168.817 4.677 -9.771 1.00 0.00 C ATOM 286 CD GLN A 18 169.932 5.631 -10.150 1.00 0.00 C ATOM 287 OE1 GLN A 18 170.904 5.793 -9.414 1.00 0.00 O ATOM 288 NE2 GLN A 18 169.797 6.268 -11.308 1.00 0.00 N ATOM 0 H GLN A 18 168.443 2.379 -7.088 1.00 0.00 H new ATOM 0 HA GLN A 18 170.630 3.713 -8.314 1.00 0.00 H new ATOM 0 HB2 GLN A 18 167.746 3.972 -8.058 1.00 0.00 H new ATOM 0 HB3 GLN A 18 168.509 5.534 -7.834 1.00 0.00 H new ATOM 0 HG2 GLN A 18 169.022 3.696 -10.199 1.00 0.00 H new ATOM 0 HG3 GLN A 18 167.881 5.026 -10.207 1.00 0.00 H new ATOM 0 HE21 GLN A 18 168.974 6.104 -11.888 1.00 0.00 H new ATOM 0 HE22 GLN A 18 170.516 6.921 -11.617 1.00 0.00 H new ATOM 297 N HIS A 19 169.846 4.563 -5.257 1.00 0.00 N ATOM 298 CA HIS A 19 170.270 5.344 -4.100 1.00 0.00 C ATOM 299 C HIS A 19 171.740 5.085 -3.778 1.00 0.00 C ATOM 300 O HIS A 19 172.575 5.984 -3.871 1.00 0.00 O ATOM 301 CB HIS A 19 169.401 5.006 -2.886 1.00 0.00 C ATOM 302 CG HIS A 19 168.803 6.207 -2.222 1.00 0.00 C ATOM 303 ND1 HIS A 19 168.891 6.650 -0.945 1.00 0.00 N flip ATOM 304 CD2 HIS A 19 167.998 7.111 -2.884 1.00 0.00 C flip ATOM 305 CE1 HIS A 19 168.148 7.801 -0.861 1.00 0.00 C flip ATOM 306 NE2 HIS A 19 167.618 8.059 -2.042 1.00 0.00 N flip ATOM 0 H HIS A 19 169.120 3.874 -5.057 1.00 0.00 H new ATOM 0 HA HIS A 19 170.151 6.400 -4.341 1.00 0.00 H new ATOM 0 HB2 HIS A 19 168.599 4.338 -3.199 1.00 0.00 H new ATOM 0 HB3 HIS A 19 170.004 4.462 -2.159 1.00 0.00 H new ATOM 0 HD2 HIS A 19 167.721 7.054 -3.926 1.00 0.00 H new ATOM 0 HE1 HIS A 19 168.018 8.399 0.029 1.00 0.00 H new ATOM 0 HE2 HIS A 19 167.018 8.853 -2.267 1.00 0.00 H new ATOM 315 N VAL A 20 172.048 3.847 -3.400 1.00 0.00 N ATOM 316 CA VAL A 20 173.415 3.468 -3.064 1.00 0.00 C ATOM 317 C VAL A 20 174.357 3.703 -4.239 1.00 0.00 C ATOM 318 O VAL A 20 175.460 4.222 -4.071 1.00 0.00 O ATOM 319 CB VAL A 20 173.497 1.988 -2.638 1.00 0.00 C ATOM 320 CG1 VAL A 20 173.134 1.069 -3.797 1.00 0.00 C ATOM 321 CG2 VAL A 20 174.885 1.662 -2.103 1.00 0.00 C ATOM 0 H VAL A 20 171.369 3.090 -3.319 1.00 0.00 H new ATOM 0 HA VAL A 20 173.722 4.097 -2.228 1.00 0.00 H new ATOM 0 HB VAL A 20 172.775 1.822 -1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 20 173.199 0.031 -3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 20 172.117 1.283 -4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 20 173.826 1.235 -4.623 1.00 0.00 H new ATOM 0 HG21 VAL A 20 174.924 0.614 -1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 20 175.627 1.848 -2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 20 175.099 2.291 -1.239 1.00 0.00 H new ATOM 331 N ALA A 21 173.910 3.319 -5.430 1.00 0.00 N ATOM 332 CA ALA A 21 174.708 3.483 -6.642 1.00 0.00 C ATOM 333 C ALA A 21 175.245 4.906 -6.763 1.00 0.00 C ATOM 334 O ALA A 21 176.441 5.115 -6.957 1.00 0.00 O ATOM 335 CB ALA A 21 173.882 3.124 -7.868 1.00 0.00 C ATOM 0 H ALA A 21 172.997 2.891 -5.583 1.00 0.00 H new ATOM 0 HA ALA A 21 175.561 2.807 -6.578 1.00 0.00 H new ATOM 0 HB1 ALA A 21 174.488 3.250 -8.765 1.00 0.00 H new ATOM 0 HB2 ALA A 21 173.554 2.087 -7.795 1.00 0.00 H new ATOM 0 HB3 ALA A 21 173.011 3.777 -7.924 1.00 0.00 H new ATOM 341 N ASP A 22 174.351 5.883 -6.646 1.00 0.00 N ATOM 342 CA ASP A 22 174.736 7.285 -6.739 1.00 0.00 C ATOM 343 C ASP A 22 175.748 7.644 -5.655 1.00 0.00 C ATOM 344 O ASP A 22 176.693 8.394 -5.897 1.00 0.00 O ATOM 345 CB ASP A 22 173.502 8.185 -6.622 1.00 0.00 C ATOM 346 CG ASP A 22 173.024 8.685 -7.971 1.00 0.00 C ATOM 347 OD1 ASP A 22 173.692 9.569 -8.548 1.00 0.00 O ATOM 348 OD2 ASP A 22 171.978 8.195 -8.450 1.00 0.00 O ATOM 0 H ASP A 22 173.355 5.729 -6.487 1.00 0.00 H new ATOM 0 HA ASP A 22 175.201 7.445 -7.712 1.00 0.00 H new ATOM 0 HB2 ASP A 22 172.698 7.633 -6.136 1.00 0.00 H new ATOM 0 HB3 ASP A 22 173.736 9.037 -5.983 1.00 0.00 H new ATOM 353 N ARG A 23 175.542 7.100 -4.460 1.00 0.00 N ATOM 354 CA ARG A 23 176.437 7.360 -3.338 1.00 0.00 C ATOM 355 C ARG A 23 177.816 6.762 -3.594 1.00 0.00 C ATOM 356 O ARG A 23 178.836 7.423 -3.398 1.00 0.00 O ATOM 357 CB ARG A 23 175.851 6.788 -2.046 1.00 0.00 C ATOM 358 CG ARG A 23 174.538 7.435 -1.633 1.00 0.00 C ATOM 359 CD ARG A 23 174.671 8.945 -1.519 1.00 0.00 C ATOM 360 NE ARG A 23 174.047 9.459 -0.303 1.00 0.00 N ATOM 361 CZ ARG A 23 173.711 10.735 -0.124 1.00 0.00 C ATOM 362 NH1 ARG A 23 173.936 11.628 -1.080 1.00 0.00 N ATOM 363 NH2 ARG A 23 173.148 11.119 1.014 1.00 0.00 N ATOM 0 H ARG A 23 174.764 6.477 -4.244 1.00 0.00 H new ATOM 0 HA ARG A 23 176.542 8.440 -3.232 1.00 0.00 H new ATOM 0 HB2 ARG A 23 175.695 5.717 -2.171 1.00 0.00 H new ATOM 0 HB3 ARG A 23 176.576 6.912 -1.242 1.00 0.00 H new ATOM 0 HG2 ARG A 23 173.766 7.191 -2.363 1.00 0.00 H new ATOM 0 HG3 ARG A 23 174.214 7.024 -0.677 1.00 0.00 H new ATOM 0 HD2 ARG A 23 175.726 9.218 -1.528 1.00 0.00 H new ATOM 0 HD3 ARG A 23 174.213 9.416 -2.389 1.00 0.00 H new ATOM 0 HE ARG A 23 173.857 8.802 0.454 1.00 0.00 H new ATOM 0 HH11 ARG A 23 174.368 11.338 -1.957 1.00 0.00 H new ATOM 0 HH12 ARG A 23 173.677 12.604 -0.937 1.00 0.00 H new ATOM 0 HH21 ARG A 23 172.973 10.437 1.752 1.00 0.00 H new ATOM 0 HH22 ARG A 23 172.891 12.096 1.151 1.00 0.00 H new ATOM 377 N LEU A 24 177.840 5.509 -4.033 1.00 0.00 N ATOM 378 CA LEU A 24 179.094 4.820 -4.316 1.00 0.00 C ATOM 379 C LEU A 24 179.825 5.476 -5.484 1.00 0.00 C ATOM 380 O LEU A 24 181.055 5.521 -5.515 1.00 0.00 O ATOM 381 CB LEU A 24 178.831 3.343 -4.629 1.00 0.00 C ATOM 382 CG LEU A 24 179.850 2.359 -4.047 1.00 0.00 C ATOM 383 CD1 LEU A 24 181.272 2.839 -4.304 1.00 0.00 C ATOM 384 CD2 LEU A 24 179.610 2.166 -2.557 1.00 0.00 C ATOM 0 H LEU A 24 177.004 4.949 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 24 179.725 4.890 -3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 24 177.842 3.080 -4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 24 178.806 3.217 -5.711 1.00 0.00 H new ATOM 0 HG LEU A 24 179.722 1.398 -4.545 1.00 0.00 H new ATOM 0 HD11 LEU A 24 181.979 2.125 -3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 24 181.439 2.924 -5.378 1.00 0.00 H new ATOM 0 HD13 LEU A 24 181.417 3.813 -3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 24 180.342 1.464 -2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 24 179.709 3.123 -2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 24 178.606 1.772 -2.398 1.00 0.00 H new ATOM 396 N ALA A 25 179.059 5.985 -6.443 1.00 0.00 N ATOM 397 CA ALA A 25 179.630 6.636 -7.615 1.00 0.00 C ATOM 398 C ALA A 25 180.491 7.832 -7.219 1.00 0.00 C ATOM 399 O ALA A 25 181.673 7.895 -7.554 1.00 0.00 O ATOM 400 CB ALA A 25 178.526 7.071 -8.567 1.00 0.00 C ATOM 0 H ALA A 25 178.039 5.959 -6.431 1.00 0.00 H new ATOM 0 HA ALA A 25 180.271 5.915 -8.122 1.00 0.00 H new ATOM 0 HB1 ALA A 25 178.967 7.556 -9.438 1.00 0.00 H new ATOM 0 HB2 ALA A 25 177.957 6.198 -8.887 1.00 0.00 H new ATOM 0 HB3 ALA A 25 177.863 7.771 -8.059 1.00 0.00 H new ATOM 406 N LYS A 26 179.890 8.779 -6.508 1.00 0.00 N ATOM 407 CA LYS A 26 180.604 9.975 -6.070 1.00 0.00 C ATOM 408 C LYS A 26 181.700 9.624 -5.068 1.00 0.00 C ATOM 409 O LYS A 26 182.796 10.183 -5.110 1.00 0.00 O ATOM 410 CB LYS A 26 179.628 10.975 -5.446 1.00 0.00 C ATOM 411 CG LYS A 26 179.954 12.424 -5.765 1.00 0.00 C ATOM 412 CD LYS A 26 181.281 12.847 -5.155 1.00 0.00 C ATOM 413 CE LYS A 26 182.381 12.915 -6.202 1.00 0.00 C ATOM 414 NZ LYS A 26 183.618 13.548 -5.669 1.00 0.00 N ATOM 0 H LYS A 26 178.911 8.743 -6.222 1.00 0.00 H new ATOM 0 HA LYS A 26 181.071 10.428 -6.945 1.00 0.00 H new ATOM 0 HB2 LYS A 26 178.620 10.753 -5.796 1.00 0.00 H new ATOM 0 HB3 LYS A 26 179.626 10.841 -4.364 1.00 0.00 H new ATOM 0 HG2 LYS A 26 179.990 12.560 -6.846 1.00 0.00 H new ATOM 0 HG3 LYS A 26 179.159 13.068 -5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 26 181.170 13.821 -4.680 1.00 0.00 H new ATOM 0 HD3 LYS A 26 181.564 12.142 -4.374 1.00 0.00 H new ATOM 0 HE2 LYS A 26 182.611 11.909 -6.553 1.00 0.00 H new ATOM 0 HE3 LYS A 26 182.027 13.480 -7.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 184.343 13.575 -6.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 183.405 14.517 -5.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 183.971 12.995 -4.862 1.00 0.00 H new ATOM 428 N LEU A 27 181.394 8.698 -4.167 1.00 0.00 N ATOM 429 CA LEU A 27 182.351 8.274 -3.151 1.00 0.00 C ATOM 430 C LEU A 27 183.550 7.558 -3.772 1.00 0.00 C ATOM 431 O LEU A 27 184.570 7.358 -3.113 1.00 0.00 O ATOM 432 CB LEU A 27 181.669 7.356 -2.135 1.00 0.00 C ATOM 433 CG LEU A 27 182.262 7.395 -0.725 1.00 0.00 C ATOM 434 CD1 LEU A 27 181.168 7.235 0.320 1.00 0.00 C ATOM 435 CD2 LEU A 27 183.318 6.310 -0.563 1.00 0.00 C ATOM 0 H LEU A 27 180.491 8.226 -4.119 1.00 0.00 H new ATOM 0 HA LEU A 27 182.716 9.169 -2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 27 180.614 7.625 -2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 27 181.717 6.332 -2.504 1.00 0.00 H new ATOM 0 HG LEU A 27 182.737 8.365 -0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 27 181.609 7.265 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 27 180.446 8.045 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 27 180.664 6.280 0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 27 183.730 6.351 0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 27 182.864 5.333 -0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 27 184.116 6.468 -1.288 1.00 0.00 H new ATOM 447 N GLU A 28 183.423 7.169 -5.036 1.00 0.00 N ATOM 448 CA GLU A 28 184.500 6.470 -5.731 1.00 0.00 C ATOM 449 C GLU A 28 185.771 7.318 -5.804 1.00 0.00 C ATOM 450 O GLU A 28 186.853 6.794 -6.064 1.00 0.00 O ATOM 451 CB GLU A 28 184.048 6.079 -7.144 1.00 0.00 C ATOM 452 CG GLU A 28 185.154 5.488 -8.007 1.00 0.00 C ATOM 453 CD GLU A 28 185.936 4.398 -7.298 1.00 0.00 C ATOM 454 OE1 GLU A 28 185.411 3.834 -6.316 1.00 0.00 O ATOM 455 OE2 GLU A 28 187.074 4.110 -7.725 1.00 0.00 O ATOM 0 H GLU A 28 182.587 7.325 -5.600 1.00 0.00 H new ATOM 0 HA GLU A 28 184.733 5.570 -5.161 1.00 0.00 H new ATOM 0 HB2 GLU A 28 183.236 5.356 -7.067 1.00 0.00 H new ATOM 0 HB3 GLU A 28 183.644 6.961 -7.642 1.00 0.00 H new ATOM 0 HG2 GLU A 28 184.718 5.081 -8.919 1.00 0.00 H new ATOM 0 HG3 GLU A 28 185.838 6.282 -8.307 1.00 0.00 H new ATOM 462 N LYS A 29 185.638 8.624 -5.586 1.00 0.00 N ATOM 463 CA LYS A 29 186.793 9.518 -5.646 1.00 0.00 C ATOM 464 C LYS A 29 187.210 10.006 -4.261 1.00 0.00 C ATOM 465 O LYS A 29 187.943 10.987 -4.141 1.00 0.00 O ATOM 466 CB LYS A 29 186.492 10.714 -6.549 1.00 0.00 C ATOM 467 CG LYS A 29 187.718 11.558 -6.864 1.00 0.00 C ATOM 468 CD LYS A 29 187.874 11.784 -8.361 1.00 0.00 C ATOM 469 CE LYS A 29 188.654 10.654 -9.015 1.00 0.00 C ATOM 470 NZ LYS A 29 188.643 10.761 -10.500 1.00 0.00 N ATOM 0 H LYS A 29 184.754 9.083 -5.369 1.00 0.00 H new ATOM 0 HA LYS A 29 187.623 8.947 -6.062 1.00 0.00 H new ATOM 0 HB2 LYS A 29 186.058 10.355 -7.482 1.00 0.00 H new ATOM 0 HB3 LYS A 29 185.741 11.342 -6.069 1.00 0.00 H new ATOM 0 HG2 LYS A 29 187.638 12.520 -6.357 1.00 0.00 H new ATOM 0 HG3 LYS A 29 188.609 11.065 -6.475 1.00 0.00 H new ATOM 0 HD2 LYS A 29 186.890 11.864 -8.823 1.00 0.00 H new ATOM 0 HD3 LYS A 29 188.386 12.730 -8.536 1.00 0.00 H new ATOM 0 HE2 LYS A 29 189.684 10.669 -8.657 1.00 0.00 H new ATOM 0 HE3 LYS A 29 188.226 9.697 -8.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 189.185 9.973 -10.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 187.662 10.722 -10.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 189.074 11.663 -10.786 1.00 0.00 H new ATOM 484 N TRP A 30 186.762 9.315 -3.219 1.00 0.00 N ATOM 485 CA TRP A 30 187.123 9.691 -1.857 1.00 0.00 C ATOM 486 C TRP A 30 188.586 9.353 -1.596 1.00 0.00 C ATOM 487 O TRP A 30 189.177 8.541 -2.308 1.00 0.00 O ATOM 488 CB TRP A 30 186.226 8.975 -0.844 1.00 0.00 C ATOM 489 CG TRP A 30 185.379 9.908 -0.034 1.00 0.00 C ATOM 490 CD1 TRP A 30 184.146 10.393 -0.364 1.00 0.00 C ATOM 491 CD2 TRP A 30 185.702 10.470 1.243 1.00 0.00 C ATOM 492 NE1 TRP A 30 183.682 11.218 0.630 1.00 0.00 N ATOM 493 CE2 TRP A 30 184.618 11.282 1.628 1.00 0.00 C ATOM 494 CE3 TRP A 30 186.800 10.364 2.100 1.00 0.00 C ATOM 495 CZ2 TRP A 30 184.602 11.983 2.831 1.00 0.00 C ATOM 496 CZ3 TRP A 30 186.784 11.061 3.294 1.00 0.00 C ATOM 497 CH2 TRP A 30 185.690 11.860 3.649 1.00 0.00 C ATOM 0 H TRP A 30 186.154 8.499 -3.289 1.00 0.00 H new ATOM 0 HA TRP A 30 186.980 10.765 -1.742 1.00 0.00 H new ATOM 0 HB2 TRP A 30 185.579 8.276 -1.374 1.00 0.00 H new ATOM 0 HB3 TRP A 30 186.849 8.385 -0.171 1.00 0.00 H new ATOM 0 HD1 TRP A 30 183.613 10.161 -1.275 1.00 0.00 H new ATOM 0 HE1 TRP A 30 182.786 11.705 0.626 1.00 0.00 H new ATOM 0 HE3 TRP A 30 187.647 9.748 1.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 183.761 12.601 3.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 187.628 10.988 3.963 1.00 0.00 H new ATOM 0 HH2 TRP A 30 185.706 12.391 4.590 1.00 0.00 H new ATOM 508 N GLN A 31 189.168 9.976 -0.579 1.00 0.00 N ATOM 509 CA GLN A 31 190.565 9.731 -0.240 1.00 0.00 C ATOM 510 C GLN A 31 190.745 8.333 0.342 1.00 0.00 C ATOM 511 O GLN A 31 191.091 8.170 1.512 1.00 0.00 O ATOM 512 CB GLN A 31 191.069 10.777 0.749 1.00 0.00 C ATOM 513 CG GLN A 31 191.852 11.904 0.096 1.00 0.00 C ATOM 514 CD GLN A 31 190.955 13.010 -0.428 1.00 0.00 C ATOM 515 OE1 GLN A 31 190.130 12.686 -1.417 1.00 0.00 O flip ATOM 516 NE2 GLN A 31 191.004 14.143 0.052 1.00 0.00 N flip ATOM 0 H GLN A 31 188.698 10.652 0.023 1.00 0.00 H new ATOM 0 HA GLN A 31 191.150 9.803 -1.157 1.00 0.00 H new ATOM 0 HB2 GLN A 31 190.218 11.199 1.284 1.00 0.00 H new ATOM 0 HB3 GLN A 31 191.701 10.289 1.491 1.00 0.00 H new ATOM 0 HG2 GLN A 31 192.553 12.321 0.819 1.00 0.00 H new ATOM 0 HG3 GLN A 31 192.444 11.501 -0.726 1.00 0.00 H new ATOM 0 HE21 GLN A 31 191.653 14.347 0.811 1.00 0.00 H new ATOM 0 HE22 GLN A 31 190.395 14.877 -0.310 1.00 0.00 H new ATOM 525 N THR A 32 190.515 7.331 -0.491 1.00 0.00 N ATOM 526 CA THR A 32 190.653 5.941 -0.079 1.00 0.00 C ATOM 527 C THR A 32 191.201 5.097 -1.230 1.00 0.00 C ATOM 528 O THR A 32 192.413 4.934 -1.355 1.00 0.00 O ATOM 529 CB THR A 32 189.307 5.388 0.404 1.00 0.00 C ATOM 530 OG1 THR A 32 188.864 6.083 1.556 1.00 0.00 O ATOM 531 CG2 THR A 32 189.351 3.914 0.749 1.00 0.00 C ATOM 0 H THR A 32 190.230 7.454 -1.463 1.00 0.00 H new ATOM 0 HA THR A 32 191.359 5.893 0.750 1.00 0.00 H new ATOM 0 HB THR A 32 188.622 5.528 -0.433 1.00 0.00 H new ATOM 0 HG1 THR A 32 189.203 5.635 2.359 1.00 0.00 H new ATOM 0 HG21 THR A 32 188.366 3.589 1.083 1.00 0.00 H new ATOM 0 HG22 THR A 32 189.642 3.343 -0.132 1.00 0.00 H new ATOM 0 HG23 THR A 32 190.077 3.748 1.545 1.00 0.00 H new ATOM 539 N HIS A 33 190.296 4.577 -2.070 1.00 0.00 N ATOM 540 CA HIS A 33 190.654 3.749 -3.228 1.00 0.00 C ATOM 541 C HIS A 33 189.542 2.745 -3.529 1.00 0.00 C ATOM 542 O HIS A 33 189.413 2.276 -4.660 1.00 0.00 O ATOM 543 CB HIS A 33 191.977 3.002 -3.013 1.00 0.00 C ATOM 544 CG HIS A 33 193.162 3.699 -3.612 1.00 0.00 C ATOM 545 ND1 HIS A 33 194.342 4.073 -3.063 1.00 0.00 N flip ATOM 546 CD2 HIS A 33 193.213 4.098 -4.932 1.00 0.00 C flip ATOM 547 CE1 HIS A 33 195.076 4.685 -4.050 1.00 0.00 C flip ATOM 548 NE2 HIS A 33 194.373 4.686 -5.167 1.00 0.00 N flip ATOM 0 H HIS A 33 189.292 4.720 -1.964 1.00 0.00 H new ATOM 0 HA HIS A 33 190.781 4.421 -4.077 1.00 0.00 H new ATOM 0 HB2 HIS A 33 192.143 2.874 -1.943 1.00 0.00 H new ATOM 0 HB3 HIS A 33 191.896 2.004 -3.444 1.00 0.00 H new ATOM 0 HD2 HIS A 33 192.428 3.953 -5.659 1.00 0.00 H new ATOM 0 HE1 HIS A 33 196.067 5.098 -3.931 1.00 0.00 H new ATOM 0 HE2 HIS A 33 194.674 5.075 -6.061 1.00 0.00 H new ATOM 557 N LEU A 34 188.741 2.433 -2.505 1.00 0.00 N ATOM 558 CA LEU A 34 187.619 1.494 -2.620 1.00 0.00 C ATOM 559 C LEU A 34 187.809 0.492 -3.757 1.00 0.00 C ATOM 560 O LEU A 34 187.484 0.775 -4.911 1.00 0.00 O ATOM 561 CB LEU A 34 186.316 2.266 -2.813 1.00 0.00 C ATOM 562 CG LEU A 34 186.206 3.550 -1.985 1.00 0.00 C ATOM 563 CD1 LEU A 34 185.808 4.720 -2.864 1.00 0.00 C ATOM 564 CD2 LEU A 34 185.221 3.371 -0.844 1.00 0.00 C ATOM 0 H LEU A 34 188.852 2.825 -1.570 1.00 0.00 H new ATOM 0 HA LEU A 34 187.578 0.922 -1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 34 186.212 2.520 -3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 34 185.481 1.613 -2.559 1.00 0.00 H new ATOM 0 HG LEU A 34 187.184 3.765 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 34 185.735 5.623 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 34 186.560 4.864 -3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 34 184.843 4.515 -3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 34 185.158 4.295 -0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 34 184.238 3.127 -1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 34 185.558 2.562 -0.196 1.00 0.00 H new ATOM 576 N ILE A 35 188.339 -0.678 -3.421 1.00 0.00 N ATOM 577 CA ILE A 35 188.575 -1.720 -4.413 1.00 0.00 C ATOM 578 C ILE A 35 187.435 -2.730 -4.419 1.00 0.00 C ATOM 579 O ILE A 35 186.779 -2.939 -5.440 1.00 0.00 O ATOM 580 CB ILE A 35 189.899 -2.472 -4.157 1.00 0.00 C ATOM 581 CG1 ILE A 35 190.968 -1.533 -3.591 1.00 0.00 C ATOM 582 CG2 ILE A 35 190.390 -3.122 -5.443 1.00 0.00 C ATOM 583 CD1 ILE A 35 191.658 -2.078 -2.358 1.00 0.00 C ATOM 0 H ILE A 35 188.613 -0.929 -2.471 1.00 0.00 H new ATOM 0 HA ILE A 35 188.636 -1.220 -5.380 1.00 0.00 H new ATOM 0 HB ILE A 35 189.711 -3.250 -3.417 1.00 0.00 H new ATOM 0 HG12 ILE A 35 191.715 -1.340 -4.361 1.00 0.00 H new ATOM 0 HG13 ILE A 35 190.507 -0.576 -3.347 1.00 0.00 H new ATOM 0 HG21 ILE A 35 191.324 -3.649 -5.250 1.00 0.00 H new ATOM 0 HG22 ILE A 35 189.642 -3.829 -5.802 1.00 0.00 H new ATOM 0 HG23 ILE A 35 190.556 -2.354 -6.198 1.00 0.00 H new ATOM 0 HD11 ILE A 35 192.403 -1.361 -2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 35 190.921 -2.245 -1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 35 192.148 -3.021 -2.602 1.00 0.00 H new ATOM 595 N ASN A 36 187.212 -3.359 -3.271 1.00 0.00 N ATOM 596 CA ASN A 36 186.160 -4.359 -3.135 1.00 0.00 C ATOM 597 C ASN A 36 185.028 -3.853 -2.240 1.00 0.00 C ATOM 598 O ASN A 36 184.913 -4.260 -1.084 1.00 0.00 O ATOM 599 CB ASN A 36 186.744 -5.651 -2.560 1.00 0.00 C ATOM 600 CG ASN A 36 187.025 -6.685 -3.631 1.00 0.00 C ATOM 601 OD1 ASN A 36 186.278 -6.811 -4.601 1.00 0.00 O ATOM 602 ND2 ASN A 36 188.107 -7.434 -3.458 1.00 0.00 N ATOM 0 H ASN A 36 187.747 -3.193 -2.419 1.00 0.00 H new ATOM 0 HA ASN A 36 185.746 -4.556 -4.124 1.00 0.00 H new ATOM 0 HB2 ASN A 36 187.667 -5.424 -2.027 1.00 0.00 H new ATOM 0 HB3 ASN A 36 186.049 -6.067 -1.830 1.00 0.00 H new ATOM 0 HD21 ASN A 36 188.348 -8.149 -4.145 1.00 0.00 H new ATOM 0 HD22 ASN A 36 188.698 -7.295 -2.638 1.00 0.00 H new ATOM 609 N PRO A 37 184.173 -2.959 -2.765 1.00 0.00 N ATOM 610 CA PRO A 37 183.049 -2.402 -2.008 1.00 0.00 C ATOM 611 C PRO A 37 181.881 -3.380 -1.900 1.00 0.00 C ATOM 612 O PRO A 37 181.105 -3.540 -2.841 1.00 0.00 O ATOM 613 CB PRO A 37 182.649 -1.183 -2.836 1.00 0.00 C ATOM 614 CG PRO A 37 183.004 -1.552 -4.233 1.00 0.00 C ATOM 615 CD PRO A 37 184.235 -2.417 -4.138 1.00 0.00 C ATOM 0 HA PRO A 37 183.320 -2.170 -0.978 1.00 0.00 H new ATOM 0 HB2 PRO A 37 181.585 -0.969 -2.740 1.00 0.00 H new ATOM 0 HB3 PRO A 37 183.184 -0.290 -2.513 1.00 0.00 H new ATOM 0 HG2 PRO A 37 182.186 -2.089 -4.714 1.00 0.00 H new ATOM 0 HG3 PRO A 37 183.198 -0.663 -4.833 1.00 0.00 H new ATOM 0 HD2 PRO A 37 184.225 -3.212 -4.884 1.00 0.00 H new ATOM 0 HD3 PRO A 37 185.145 -1.839 -4.300 1.00 0.00 H new ATOM 623 N HIS A 38 181.764 -4.029 -0.746 1.00 0.00 N ATOM 624 CA HIS A 38 180.691 -4.990 -0.513 1.00 0.00 C ATOM 625 C HIS A 38 179.517 -4.328 0.202 1.00 0.00 C ATOM 626 O HIS A 38 179.572 -4.080 1.405 1.00 0.00 O ATOM 627 CB HIS A 38 181.209 -6.173 0.310 1.00 0.00 C ATOM 628 CG HIS A 38 180.968 -7.503 -0.335 1.00 0.00 C ATOM 629 ND1 HIS A 38 181.981 -8.392 -0.627 1.00 0.00 N ATOM 630 CD2 HIS A 38 179.821 -8.095 -0.744 1.00 0.00 C ATOM 631 CE1 HIS A 38 181.468 -9.472 -1.188 1.00 0.00 C ATOM 632 NE2 HIS A 38 180.160 -9.318 -1.269 1.00 0.00 N ATOM 0 H HIS A 38 182.399 -3.907 0.043 1.00 0.00 H new ATOM 0 HA HIS A 38 180.344 -5.355 -1.479 1.00 0.00 H new ATOM 0 HB2 HIS A 38 182.279 -6.048 0.477 1.00 0.00 H new ATOM 0 HB3 HIS A 38 180.730 -6.161 1.289 1.00 0.00 H new ATOM 0 HD2 HIS A 38 178.826 -7.683 -0.671 1.00 0.00 H new ATOM 0 HE1 HIS A 38 182.025 -10.335 -1.523 1.00 0.00 H new ATOM 0 HE2 HIS A 38 179.506 -9.997 -1.659 1.00 0.00 H new ATOM 641 N ILE A 39 178.457 -4.042 -0.549 1.00 0.00 N ATOM 642 CA ILE A 39 177.273 -3.404 0.012 1.00 0.00 C ATOM 643 C ILE A 39 176.175 -4.423 0.295 1.00 0.00 C ATOM 644 O ILE A 39 175.569 -4.971 -0.626 1.00 0.00 O ATOM 645 CB ILE A 39 176.718 -2.321 -0.932 1.00 0.00 C ATOM 646 CG1 ILE A 39 177.841 -1.390 -1.393 1.00 0.00 C ATOM 647 CG2 ILE A 39 175.617 -1.531 -0.242 1.00 0.00 C ATOM 648 CD1 ILE A 39 178.483 -0.613 -0.266 1.00 0.00 C ATOM 0 H ILE A 39 178.395 -4.242 -1.547 1.00 0.00 H new ATOM 0 HA ILE A 39 177.582 -2.939 0.948 1.00 0.00 H new ATOM 0 HB ILE A 39 176.293 -2.808 -1.810 1.00 0.00 H new ATOM 0 HG12 ILE A 39 178.606 -1.979 -1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 39 177.442 -0.689 -2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 39 175.235 -0.769 -0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 39 174.808 -2.205 0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 39 176.018 -1.052 0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 39 179.270 0.026 -0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 39 177.731 0.003 0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 39 178.912 -1.307 0.456 1.00 0.00 H new ATOM 660 N ILE A 40 175.918 -4.665 1.576 1.00 0.00 N ATOM 661 CA ILE A 40 174.885 -5.610 1.984 1.00 0.00 C ATOM 662 C ILE A 40 173.724 -4.880 2.654 1.00 0.00 C ATOM 663 O ILE A 40 173.826 -4.450 3.802 1.00 0.00 O ATOM 664 CB ILE A 40 175.448 -6.676 2.949 1.00 0.00 C ATOM 665 CG1 ILE A 40 176.579 -7.455 2.273 1.00 0.00 C ATOM 666 CG2 ILE A 40 174.346 -7.624 3.404 1.00 0.00 C ATOM 667 CD1 ILE A 40 177.955 -6.895 2.561 1.00 0.00 C ATOM 0 H ILE A 40 176.411 -4.220 2.350 1.00 0.00 H new ATOM 0 HA ILE A 40 174.527 -6.110 1.084 1.00 0.00 H new ATOM 0 HB ILE A 40 175.848 -6.171 3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 40 176.542 -8.493 2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 40 176.415 -7.457 1.195 1.00 0.00 H new ATOM 0 HG21 ILE A 40 174.763 -8.368 4.083 1.00 0.00 H new ATOM 0 HG22 ILE A 40 173.569 -7.058 3.918 1.00 0.00 H new ATOM 0 HG23 ILE A 40 173.916 -8.125 2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 40 178.707 -7.496 2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 40 178.011 -5.866 2.206 1.00 0.00 H new ATOM 0 HD13 ILE A 40 178.140 -6.919 3.635 1.00 0.00 H new ATOM 679 N LEU A 41 172.621 -4.737 1.923 1.00 0.00 N ATOM 680 CA LEU A 41 171.443 -4.053 2.440 1.00 0.00 C ATOM 681 C LEU A 41 170.320 -5.049 2.725 1.00 0.00 C ATOM 682 O LEU A 41 169.681 -5.563 1.808 1.00 0.00 O ATOM 683 CB LEU A 41 170.986 -2.982 1.436 1.00 0.00 C ATOM 684 CG LEU A 41 169.492 -2.629 1.452 1.00 0.00 C ATOM 685 CD1 LEU A 41 169.296 -1.122 1.495 1.00 0.00 C ATOM 686 CD2 LEU A 41 168.796 -3.221 0.235 1.00 0.00 C ATOM 0 H LEU A 41 172.520 -5.087 0.970 1.00 0.00 H new ATOM 0 HA LEU A 41 171.699 -3.566 3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 41 171.555 -2.071 1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 41 171.247 -3.319 0.433 1.00 0.00 H new ATOM 0 HG LEU A 41 169.047 -3.057 2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 41 168.230 -0.894 1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 41 169.762 -0.720 2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 41 169.755 -0.670 0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 41 167.737 -2.963 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 41 169.246 -2.820 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 41 168.905 -4.305 0.245 1.00 0.00 H new ATOM 698 N SER A 42 170.090 -5.321 4.007 1.00 0.00 N ATOM 699 CA SER A 42 169.050 -6.259 4.415 1.00 0.00 C ATOM 700 C SER A 42 167.924 -5.545 5.155 1.00 0.00 C ATOM 701 O SER A 42 168.077 -4.403 5.592 1.00 0.00 O ATOM 702 CB SER A 42 169.645 -7.350 5.307 1.00 0.00 C ATOM 703 OG SER A 42 170.461 -8.233 4.558 1.00 0.00 O ATOM 0 H SER A 42 170.610 -4.905 4.780 1.00 0.00 H new ATOM 0 HA SER A 42 168.635 -6.713 3.515 1.00 0.00 H new ATOM 0 HB2 SER A 42 170.233 -6.893 6.102 1.00 0.00 H new ATOM 0 HB3 SER A 42 168.842 -7.910 5.786 1.00 0.00 H new ATOM 0 HG SER A 42 171.327 -8.336 5.004 1.00 0.00 H new ATOM 709 N LYS A 43 166.793 -6.229 5.298 1.00 0.00 N ATOM 710 CA LYS A 43 165.637 -5.671 5.992 1.00 0.00 C ATOM 711 C LYS A 43 165.422 -6.384 7.325 1.00 0.00 C ATOM 712 O LYS A 43 165.162 -7.586 7.360 1.00 0.00 O ATOM 713 CB LYS A 43 164.385 -5.797 5.115 1.00 0.00 C ATOM 714 CG LYS A 43 163.084 -5.505 5.849 1.00 0.00 C ATOM 715 CD LYS A 43 162.230 -6.753 5.993 1.00 0.00 C ATOM 716 CE LYS A 43 160.749 -6.417 6.005 1.00 0.00 C ATOM 717 NZ LYS A 43 159.932 -7.476 5.354 1.00 0.00 N ATOM 0 H LYS A 43 166.652 -7.174 4.941 1.00 0.00 H new ATOM 0 HA LYS A 43 165.824 -4.615 6.190 1.00 0.00 H new ATOM 0 HB2 LYS A 43 164.475 -5.114 4.270 1.00 0.00 H new ATOM 0 HB3 LYS A 43 164.341 -6.806 4.705 1.00 0.00 H new ATOM 0 HG2 LYS A 43 163.306 -5.100 6.836 1.00 0.00 H new ATOM 0 HG3 LYS A 43 162.525 -4.741 5.309 1.00 0.00 H new ATOM 0 HD2 LYS A 43 162.442 -7.437 5.171 1.00 0.00 H new ATOM 0 HD3 LYS A 43 162.494 -7.271 6.915 1.00 0.00 H new ATOM 0 HE2 LYS A 43 160.416 -6.283 7.034 1.00 0.00 H new ATOM 0 HE3 LYS A 43 160.588 -5.469 5.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 158.928 -7.207 5.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 160.232 -7.586 4.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 160.065 -8.376 5.858 1.00 0.00 H new ATOM 731 N GLU A 44 165.536 -5.637 8.421 1.00 0.00 N ATOM 732 CA GLU A 44 165.358 -6.209 9.751 1.00 0.00 C ATOM 733 C GLU A 44 164.066 -5.716 10.399 1.00 0.00 C ATOM 734 O GLU A 44 163.640 -4.582 10.175 1.00 0.00 O ATOM 735 CB GLU A 44 166.552 -5.866 10.644 1.00 0.00 C ATOM 736 CG GLU A 44 167.435 -7.062 10.963 1.00 0.00 C ATOM 737 CD GLU A 44 168.037 -6.990 12.352 1.00 0.00 C ATOM 738 OE1 GLU A 44 167.415 -6.366 13.238 1.00 0.00 O ATOM 739 OE2 GLU A 44 169.130 -7.558 12.556 1.00 0.00 O ATOM 0 H GLU A 44 165.750 -4.640 8.414 1.00 0.00 H new ATOM 0 HA GLU A 44 165.293 -7.291 9.640 1.00 0.00 H new ATOM 0 HB2 GLU A 44 167.154 -5.101 10.154 1.00 0.00 H new ATOM 0 HB3 GLU A 44 166.186 -5.436 11.576 1.00 0.00 H new ATOM 0 HG2 GLU A 44 166.848 -7.976 10.873 1.00 0.00 H new ATOM 0 HG3 GLU A 44 168.236 -7.124 10.227 1.00 0.00 H new ATOM 746 N PRO A 45 163.427 -6.571 11.216 1.00 0.00 N ATOM 747 CA PRO A 45 162.182 -6.246 11.910 1.00 0.00 C ATOM 748 C PRO A 45 162.160 -4.827 12.463 1.00 0.00 C ATOM 749 O PRO A 45 161.244 -4.053 12.191 1.00 0.00 O ATOM 750 CB PRO A 45 162.140 -7.247 13.078 1.00 0.00 C ATOM 751 CG PRO A 45 163.332 -8.143 12.920 1.00 0.00 C ATOM 752 CD PRO A 45 163.865 -7.933 11.532 1.00 0.00 C ATOM 0 HA PRO A 45 161.332 -6.308 11.231 1.00 0.00 H new ATOM 0 HB2 PRO A 45 162.171 -6.726 14.035 1.00 0.00 H new ATOM 0 HB3 PRO A 45 161.216 -7.825 13.059 1.00 0.00 H new ATOM 0 HG2 PRO A 45 164.093 -7.906 13.664 1.00 0.00 H new ATOM 0 HG3 PRO A 45 163.052 -9.186 13.071 1.00 0.00 H new ATOM 0 HD2 PRO A 45 164.950 -8.027 11.498 1.00 0.00 H new ATOM 0 HD3 PRO A 45 163.460 -8.661 10.829 1.00 0.00 H new ATOM 760 N GLN A 46 163.161 -4.511 13.271 1.00 0.00 N ATOM 761 CA GLN A 46 163.249 -3.205 13.905 1.00 0.00 C ATOM 762 C GLN A 46 164.178 -2.256 13.150 1.00 0.00 C ATOM 763 O GLN A 46 164.992 -1.562 13.758 1.00 0.00 O ATOM 764 CB GLN A 46 163.725 -3.377 15.345 1.00 0.00 C ATOM 765 CG GLN A 46 163.109 -2.383 16.316 1.00 0.00 C ATOM 766 CD GLN A 46 161.593 -2.422 16.309 1.00 0.00 C ATOM 767 OE1 GLN A 46 160.935 -1.381 16.290 1.00 0.00 O ATOM 768 NE2 GLN A 46 161.030 -3.624 16.325 1.00 0.00 N ATOM 0 H GLN A 46 163.926 -5.144 13.503 1.00 0.00 H new ATOM 0 HA GLN A 46 162.256 -2.755 13.890 1.00 0.00 H new ATOM 0 HB2 GLN A 46 163.491 -4.388 15.677 1.00 0.00 H new ATOM 0 HB3 GLN A 46 164.810 -3.275 15.374 1.00 0.00 H new ATOM 0 HG2 GLN A 46 163.469 -2.594 17.323 1.00 0.00 H new ATOM 0 HG3 GLN A 46 163.444 -1.377 16.062 1.00 0.00 H new ATOM 0 HE21 GLN A 46 161.614 -4.460 16.340 1.00 0.00 H new ATOM 0 HE22 GLN A 46 160.014 -3.711 16.322 1.00 0.00 H new ATOM 777 N GLY A 47 164.038 -2.206 11.827 1.00 0.00 N ATOM 778 CA GLY A 47 164.862 -1.308 11.036 1.00 0.00 C ATOM 779 C GLY A 47 165.684 -2.006 9.970 1.00 0.00 C ATOM 780 O GLY A 47 165.977 -3.197 10.073 1.00 0.00 O ATOM 0 H GLY A 47 163.374 -2.767 11.293 1.00 0.00 H new ATOM 0 HA2 GLY A 47 164.220 -0.567 10.559 1.00 0.00 H new ATOM 0 HA3 GLY A 47 165.534 -0.766 11.702 1.00 0.00 H new ATOM 784 N PHE A 48 166.063 -1.242 8.947 1.00 0.00 N ATOM 785 CA PHE A 48 166.869 -1.754 7.846 1.00 0.00 C ATOM 786 C PHE A 48 168.316 -1.939 8.291 1.00 0.00 C ATOM 787 O PHE A 48 168.818 -1.172 9.112 1.00 0.00 O ATOM 788 CB PHE A 48 166.819 -0.779 6.664 1.00 0.00 C ATOM 789 CG PHE A 48 166.057 -1.283 5.472 1.00 0.00 C ATOM 790 CD1 PHE A 48 164.959 -2.114 5.625 1.00 0.00 C ATOM 791 CD2 PHE A 48 166.438 -0.912 4.193 1.00 0.00 C ATOM 792 CE1 PHE A 48 164.258 -2.565 4.522 1.00 0.00 C ATOM 793 CE2 PHE A 48 165.742 -1.359 3.089 1.00 0.00 C ATOM 794 CZ PHE A 48 164.649 -2.187 3.254 1.00 0.00 C ATOM 0 H PHE A 48 165.820 -0.255 8.860 1.00 0.00 H new ATOM 0 HA PHE A 48 166.465 -2.718 7.538 1.00 0.00 H new ATOM 0 HB2 PHE A 48 166.368 0.155 6.999 1.00 0.00 H new ATOM 0 HB3 PHE A 48 167.839 -0.548 6.356 1.00 0.00 H new ATOM 0 HD1 PHE A 48 164.648 -2.412 6.615 1.00 0.00 H new ATOM 0 HD2 PHE A 48 167.291 -0.264 4.058 1.00 0.00 H new ATOM 0 HE1 PHE A 48 163.404 -3.213 4.653 1.00 0.00 H new ATOM 0 HE2 PHE A 48 166.051 -1.062 2.098 1.00 0.00 H new ATOM 0 HZ PHE A 48 164.101 -2.538 2.392 1.00 0.00 H new ATOM 804 N VAL A 49 168.978 -2.953 7.742 1.00 0.00 N ATOM 805 CA VAL A 49 170.371 -3.230 8.083 1.00 0.00 C ATOM 806 C VAL A 49 171.296 -2.929 6.911 1.00 0.00 C ATOM 807 O VAL A 49 171.497 -3.770 6.034 1.00 0.00 O ATOM 808 CB VAL A 49 170.567 -4.698 8.505 1.00 0.00 C ATOM 809 CG1 VAL A 49 171.971 -4.915 9.047 1.00 0.00 C ATOM 810 CG2 VAL A 49 169.523 -5.102 9.533 1.00 0.00 C ATOM 0 H VAL A 49 168.574 -3.596 7.061 1.00 0.00 H new ATOM 0 HA VAL A 49 170.623 -2.580 8.921 1.00 0.00 H new ATOM 0 HB VAL A 49 170.440 -5.329 7.626 1.00 0.00 H new ATOM 0 HG11 VAL A 49 172.091 -5.958 9.340 1.00 0.00 H new ATOM 0 HG12 VAL A 49 172.701 -4.669 8.276 1.00 0.00 H new ATOM 0 HG13 VAL A 49 172.129 -4.274 9.914 1.00 0.00 H new ATOM 0 HG21 VAL A 49 169.678 -6.142 9.819 1.00 0.00 H new ATOM 0 HG22 VAL A 49 169.614 -4.466 10.414 1.00 0.00 H new ATOM 0 HG23 VAL A 49 168.527 -4.988 9.105 1.00 0.00 H new ATOM 820 N ALA A 50 171.863 -1.728 6.901 1.00 0.00 N ATOM 821 CA ALA A 50 172.772 -1.323 5.836 1.00 0.00 C ATOM 822 C ALA A 50 174.216 -1.651 6.200 1.00 0.00 C ATOM 823 O ALA A 50 174.885 -0.877 6.884 1.00 0.00 O ATOM 824 CB ALA A 50 172.622 0.164 5.548 1.00 0.00 C ATOM 0 H ALA A 50 171.709 -1.019 7.618 1.00 0.00 H new ATOM 0 HA ALA A 50 172.513 -1.881 4.936 1.00 0.00 H new ATOM 0 HB1 ALA A 50 173.307 0.451 4.751 1.00 0.00 H new ATOM 0 HB2 ALA A 50 171.598 0.373 5.239 1.00 0.00 H new ATOM 0 HB3 ALA A 50 172.853 0.734 6.448 1.00 0.00 H new ATOM 830 N ASP A 51 174.690 -2.807 5.743 1.00 0.00 N ATOM 831 CA ASP A 51 176.053 -3.238 6.026 1.00 0.00 C ATOM 832 C ASP A 51 176.947 -3.068 4.803 1.00 0.00 C ATOM 833 O ASP A 51 177.013 -3.949 3.944 1.00 0.00 O ATOM 834 CB ASP A 51 176.063 -4.698 6.482 1.00 0.00 C ATOM 835 CG ASP A 51 175.112 -4.952 7.634 1.00 0.00 C ATOM 836 OD1 ASP A 51 174.904 -4.026 8.447 1.00 0.00 O ATOM 837 OD2 ASP A 51 174.574 -6.075 7.724 1.00 0.00 O ATOM 0 H ASP A 51 174.150 -3.460 5.176 1.00 0.00 H new ATOM 0 HA ASP A 51 176.445 -2.611 6.826 1.00 0.00 H new ATOM 0 HB2 ASP A 51 175.792 -5.339 5.643 1.00 0.00 H new ATOM 0 HB3 ASP A 51 177.074 -4.975 6.782 1.00 0.00 H new ATOM 842 N ALA A 52 177.633 -1.933 4.732 1.00 0.00 N ATOM 843 CA ALA A 52 178.527 -1.649 3.616 1.00 0.00 C ATOM 844 C ALA A 52 179.980 -1.894 4.005 1.00 0.00 C ATOM 845 O ALA A 52 180.590 -1.087 4.707 1.00 0.00 O ATOM 846 CB ALA A 52 178.335 -0.217 3.139 1.00 0.00 C ATOM 0 H ALA A 52 177.587 -1.195 5.434 1.00 0.00 H new ATOM 0 HA ALA A 52 178.280 -2.326 2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 52 179.008 -0.018 2.305 1.00 0.00 H new ATOM 0 HB2 ALA A 52 177.304 -0.077 2.814 1.00 0.00 H new ATOM 0 HB3 ALA A 52 178.555 0.471 3.955 1.00 0.00 H new ATOM 852 N THR A 53 180.529 -3.011 3.543 1.00 0.00 N ATOM 853 CA THR A 53 181.912 -3.363 3.843 1.00 0.00 C ATOM 854 C THR A 53 182.811 -3.092 2.642 1.00 0.00 C ATOM 855 O THR A 53 182.842 -3.869 1.688 1.00 0.00 O ATOM 856 CB THR A 53 182.013 -4.837 4.249 1.00 0.00 C ATOM 857 OG1 THR A 53 180.725 -5.396 4.441 1.00 0.00 O ATOM 858 CG2 THR A 53 182.798 -5.052 5.526 1.00 0.00 C ATOM 0 H THR A 53 180.038 -3.688 2.959 1.00 0.00 H new ATOM 0 HA THR A 53 182.246 -2.743 4.675 1.00 0.00 H new ATOM 0 HB THR A 53 182.538 -5.326 3.428 1.00 0.00 H new ATOM 0 HG1 THR A 53 180.812 -6.338 4.698 1.00 0.00 H new ATOM 0 HG21 THR A 53 182.832 -6.117 5.757 1.00 0.00 H new ATOM 0 HG22 THR A 53 183.813 -4.676 5.397 1.00 0.00 H new ATOM 0 HG23 THR A 53 182.315 -4.518 6.344 1.00 0.00 H new ATOM 866 N ILE A 54 183.539 -1.983 2.694 1.00 0.00 N ATOM 867 CA ILE A 54 184.436 -1.609 1.608 1.00 0.00 C ATOM 868 C ILE A 54 185.876 -1.983 1.934 1.00 0.00 C ATOM 869 O ILE A 54 186.330 -1.814 3.065 1.00 0.00 O ATOM 870 CB ILE A 54 184.361 -0.101 1.305 1.00 0.00 C ATOM 871 CG1 ILE A 54 182.901 0.360 1.260 1.00 0.00 C ATOM 872 CG2 ILE A 54 185.066 0.212 -0.008 1.00 0.00 C ATOM 873 CD1 ILE A 54 182.739 1.863 1.307 1.00 0.00 C ATOM 0 H ILE A 54 183.526 -1.328 3.476 1.00 0.00 H new ATOM 0 HA ILE A 54 184.111 -2.161 0.726 1.00 0.00 H new ATOM 0 HB ILE A 54 184.868 0.442 2.103 1.00 0.00 H new ATOM 0 HG12 ILE A 54 182.437 -0.019 0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 54 182.363 -0.081 2.099 1.00 0.00 H new ATOM 0 HG21 ILE A 54 185.004 1.282 -0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 54 186.113 -0.084 0.061 1.00 0.00 H new ATOM 0 HG23 ILE A 54 184.586 -0.337 -0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 54 181.679 2.116 1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 54 183.173 2.247 2.230 1.00 0.00 H new ATOM 0 HD13 ILE A 54 183.248 2.311 0.453 1.00 0.00 H new ATOM 885 N ASN A 55 186.588 -2.497 0.937 1.00 0.00 N ATOM 886 CA ASN A 55 187.975 -2.902 1.119 1.00 0.00 C ATOM 887 C ASN A 55 188.934 -1.774 0.749 1.00 0.00 C ATOM 888 O ASN A 55 189.285 -1.602 -0.419 1.00 0.00 O ATOM 889 CB ASN A 55 188.280 -4.142 0.275 1.00 0.00 C ATOM 890 CG ASN A 55 189.168 -5.133 1.001 1.00 0.00 C ATOM 891 OD1 ASN A 55 188.764 -5.515 2.208 1.00 0.00 O flip ATOM 892 ND2 ASN A 55 190.204 -5.552 0.484 1.00 0.00 N flip ATOM 0 H ASN A 55 186.226 -2.643 -0.006 1.00 0.00 H new ATOM 0 HA ASN A 55 188.118 -3.140 2.173 1.00 0.00 H new ATOM 0 HB2 ASN A 55 187.345 -4.630 0.001 1.00 0.00 H new ATOM 0 HB3 ASN A 55 188.764 -3.836 -0.652 1.00 0.00 H new ATOM 0 HD21 ASN A 55 190.476 -5.232 -0.445 1.00 0.00 H new ATOM 0 HD22 ASN A 55 190.790 -6.220 0.985 1.00 0.00 H new ATOM 899 N THR A 56 189.359 -1.013 1.753 1.00 0.00 N ATOM 900 CA THR A 56 190.284 0.094 1.534 1.00 0.00 C ATOM 901 C THR A 56 191.727 -0.375 1.713 1.00 0.00 C ATOM 902 O THR A 56 191.997 -1.305 2.474 1.00 0.00 O ATOM 903 CB THR A 56 189.984 1.255 2.491 1.00 0.00 C ATOM 904 OG1 THR A 56 191.105 2.120 2.599 1.00 0.00 O ATOM 905 CG2 THR A 56 189.602 0.806 3.888 1.00 0.00 C ATOM 0 H THR A 56 189.078 -1.142 2.725 1.00 0.00 H new ATOM 0 HA THR A 56 190.152 0.448 0.512 1.00 0.00 H new ATOM 0 HB THR A 56 189.129 1.772 2.055 1.00 0.00 H new ATOM 0 HG1 THR A 56 190.905 2.837 3.236 1.00 0.00 H new ATOM 0 HG21 THR A 56 189.404 1.679 4.509 1.00 0.00 H new ATOM 0 HG22 THR A 56 188.707 0.185 3.839 1.00 0.00 H new ATOM 0 HG23 THR A 56 190.420 0.230 4.321 1.00 0.00 H new ATOM 913 N PRO A 57 192.677 0.262 1.009 1.00 0.00 N ATOM 914 CA PRO A 57 194.097 -0.094 1.088 1.00 0.00 C ATOM 915 C PRO A 57 194.622 -0.102 2.521 1.00 0.00 C ATOM 916 O PRO A 57 195.627 -0.749 2.819 1.00 0.00 O ATOM 917 CB PRO A 57 194.800 0.998 0.265 1.00 0.00 C ATOM 918 CG PRO A 57 193.778 2.068 0.064 1.00 0.00 C ATOM 919 CD PRO A 57 192.448 1.377 0.079 1.00 0.00 C ATOM 0 HA PRO A 57 194.275 -1.103 0.716 1.00 0.00 H new ATOM 0 HB2 PRO A 57 195.674 1.384 0.790 1.00 0.00 H new ATOM 0 HB3 PRO A 57 195.150 0.605 -0.690 1.00 0.00 H new ATOM 0 HG2 PRO A 57 193.837 2.817 0.853 1.00 0.00 H new ATOM 0 HG3 PRO A 57 193.937 2.587 -0.881 1.00 0.00 H new ATOM 0 HD2 PRO A 57 191.652 2.037 0.425 1.00 0.00 H new ATOM 0 HD3 PRO A 57 192.162 1.026 -0.913 1.00 0.00 H new ATOM 927 N ASN A 58 193.940 0.618 3.406 1.00 0.00 N ATOM 928 CA ASN A 58 194.345 0.690 4.805 1.00 0.00 C ATOM 929 C ASN A 58 193.655 -0.391 5.636 1.00 0.00 C ATOM 930 O ASN A 58 194.132 -0.760 6.708 1.00 0.00 O ATOM 931 CB ASN A 58 194.028 2.075 5.378 1.00 0.00 C ATOM 932 CG ASN A 58 195.266 2.783 5.893 1.00 0.00 C ATOM 933 OD1 ASN A 58 195.524 2.657 7.190 1.00 0.00 O flip ATOM 934 ND2 ASN A 58 195.985 3.434 5.134 1.00 0.00 N flip ATOM 0 H ASN A 58 193.106 1.159 3.179 1.00 0.00 H new ATOM 0 HA ASN A 58 195.421 0.521 4.853 1.00 0.00 H new ATOM 0 HB2 ASN A 58 193.558 2.685 4.607 1.00 0.00 H new ATOM 0 HB3 ASN A 58 193.307 1.974 6.189 1.00 0.00 H new ATOM 0 HD21 ASN A 58 195.750 3.505 4.144 1.00 0.00 H new ATOM 0 HD22 ASN A 58 196.816 3.902 5.495 1.00 0.00 H new ATOM 941 N GLY A 59 192.530 -0.895 5.135 1.00 0.00 N ATOM 942 CA GLY A 59 191.799 -1.926 5.850 1.00 0.00 C ATOM 943 C GLY A 59 190.435 -2.197 5.245 1.00 0.00 C ATOM 944 O GLY A 59 190.332 -2.646 4.104 1.00 0.00 O ATOM 0 H GLY A 59 192.113 -0.609 4.249 1.00 0.00 H new ATOM 0 HA2 GLY A 59 192.382 -2.847 5.850 1.00 0.00 H new ATOM 0 HA3 GLY A 59 191.678 -1.626 6.891 1.00 0.00 H new ATOM 948 N VAL A 60 189.386 -1.923 6.013 1.00 0.00 N ATOM 949 CA VAL A 60 188.021 -2.141 5.545 1.00 0.00 C ATOM 950 C VAL A 60 187.060 -1.130 6.160 1.00 0.00 C ATOM 951 O VAL A 60 186.889 -1.081 7.378 1.00 0.00 O ATOM 952 CB VAL A 60 187.533 -3.564 5.877 1.00 0.00 C ATOM 953 CG1 VAL A 60 186.199 -3.842 5.199 1.00 0.00 C ATOM 954 CG2 VAL A 60 188.574 -4.596 5.467 1.00 0.00 C ATOM 0 H VAL A 60 189.454 -1.550 6.960 1.00 0.00 H new ATOM 0 HA VAL A 60 188.035 -2.013 4.463 1.00 0.00 H new ATOM 0 HB VAL A 60 187.389 -3.637 6.955 1.00 0.00 H new ATOM 0 HG11 VAL A 60 185.869 -4.852 5.445 1.00 0.00 H new ATOM 0 HG12 VAL A 60 185.457 -3.123 5.547 1.00 0.00 H new ATOM 0 HG13 VAL A 60 186.314 -3.750 4.119 1.00 0.00 H new ATOM 0 HG21 VAL A 60 188.211 -5.595 5.709 1.00 0.00 H new ATOM 0 HG22 VAL A 60 188.753 -4.526 4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 60 189.504 -4.408 6.003 1.00 0.00 H new ATOM 964 N LEU A 61 186.430 -0.326 5.309 1.00 0.00 N ATOM 965 CA LEU A 61 185.482 0.684 5.768 1.00 0.00 C ATOM 966 C LEU A 61 184.079 0.097 5.878 1.00 0.00 C ATOM 967 O LEU A 61 183.377 -0.055 4.878 1.00 0.00 O ATOM 968 CB LEU A 61 185.477 1.877 4.812 1.00 0.00 C ATOM 969 CG LEU A 61 186.621 2.874 5.015 1.00 0.00 C ATOM 970 CD1 LEU A 61 187.208 3.298 3.677 1.00 0.00 C ATOM 971 CD2 LEU A 61 186.138 4.088 5.795 1.00 0.00 C ATOM 0 H LEU A 61 186.559 -0.354 4.298 1.00 0.00 H new ATOM 0 HA LEU A 61 185.794 1.022 6.756 1.00 0.00 H new ATOM 0 HB2 LEU A 61 185.518 1.504 3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 61 184.530 2.406 4.920 1.00 0.00 H new ATOM 0 HG LEU A 61 187.405 2.383 5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 61 188.019 4.007 3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 61 187.593 2.422 3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 61 186.433 3.770 3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 61 186.964 4.786 5.930 1.00 0.00 H new ATOM 0 HD22 LEU A 61 185.335 4.578 5.245 1.00 0.00 H new ATOM 0 HD23 LEU A 61 185.768 3.771 6.770 1.00 0.00 H new ATOM 983 N VAL A 62 183.680 -0.241 7.100 1.00 0.00 N ATOM 984 CA VAL A 62 182.365 -0.824 7.343 1.00 0.00 C ATOM 985 C VAL A 62 181.336 0.242 7.701 1.00 0.00 C ATOM 986 O VAL A 62 181.357 0.793 8.801 1.00 0.00 O ATOM 987 CB VAL A 62 182.417 -1.867 8.474 1.00 0.00 C ATOM 988 CG1 VAL A 62 181.094 -2.610 8.579 1.00 0.00 C ATOM 989 CG2 VAL A 62 183.567 -2.840 8.254 1.00 0.00 C ATOM 0 H VAL A 62 184.249 -0.121 7.938 1.00 0.00 H new ATOM 0 HA VAL A 62 182.064 -1.311 6.415 1.00 0.00 H new ATOM 0 HB VAL A 62 182.589 -1.344 9.415 1.00 0.00 H new ATOM 0 HG11 VAL A 62 181.151 -3.343 9.384 1.00 0.00 H new ATOM 0 HG12 VAL A 62 180.294 -1.900 8.790 1.00 0.00 H new ATOM 0 HG13 VAL A 62 180.888 -3.120 7.638 1.00 0.00 H new ATOM 0 HG21 VAL A 62 183.587 -3.569 9.064 1.00 0.00 H new ATOM 0 HG22 VAL A 62 183.430 -3.357 7.304 1.00 0.00 H new ATOM 0 HG23 VAL A 62 184.509 -2.292 8.236 1.00 0.00 H new ATOM 999 N ALA A 63 180.434 0.526 6.769 1.00 0.00 N ATOM 1000 CA ALA A 63 179.393 1.522 6.991 1.00 0.00 C ATOM 1001 C ALA A 63 178.120 0.870 7.518 1.00 0.00 C ATOM 1002 O ALA A 63 177.426 0.161 6.787 1.00 0.00 O ATOM 1003 CB ALA A 63 179.104 2.279 5.703 1.00 0.00 C ATOM 0 H ALA A 63 180.403 0.080 5.852 1.00 0.00 H new ATOM 0 HA ALA A 63 179.750 2.227 7.741 1.00 0.00 H new ATOM 0 HB1 ALA A 63 178.325 3.020 5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 63 180.010 2.781 5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 63 178.769 1.579 4.937 1.00 0.00 H new ATOM 1009 N SER A 64 177.820 1.107 8.789 1.00 0.00 N ATOM 1010 CA SER A 64 176.631 0.535 9.412 1.00 0.00 C ATOM 1011 C SER A 64 175.547 1.592 9.599 1.00 0.00 C ATOM 1012 O SER A 64 175.743 2.579 10.307 1.00 0.00 O ATOM 1013 CB SER A 64 176.987 -0.095 10.762 1.00 0.00 C ATOM 1014 OG SER A 64 178.386 -0.082 10.981 1.00 0.00 O ATOM 0 H SER A 64 178.382 1.690 9.409 1.00 0.00 H new ATOM 0 HA SER A 64 176.244 -0.239 8.749 1.00 0.00 H new ATOM 0 HB2 SER A 64 176.486 0.448 11.563 1.00 0.00 H new ATOM 0 HB3 SER A 64 176.621 -1.121 10.795 1.00 0.00 H new ATOM 0 HG SER A 64 178.585 -0.488 11.850 1.00 0.00 H new ATOM 1020 N GLY A 65 174.401 1.373 8.960 1.00 0.00 N ATOM 1021 CA GLY A 65 173.298 2.310 9.069 1.00 0.00 C ATOM 1022 C GLY A 65 171.972 1.611 9.291 1.00 0.00 C ATOM 1023 O GLY A 65 171.385 1.069 8.354 1.00 0.00 O ATOM 0 H GLY A 65 174.217 0.563 8.368 1.00 0.00 H new ATOM 0 HA2 GLY A 65 173.487 2.997 9.894 1.00 0.00 H new ATOM 0 HA3 GLY A 65 173.243 2.910 8.161 1.00 0.00 H new ATOM 1027 N LYS A 66 171.498 1.619 10.533 1.00 0.00 N ATOM 1028 CA LYS A 66 170.234 0.977 10.873 1.00 0.00 C ATOM 1029 C LYS A 66 169.114 2.003 10.997 1.00 0.00 C ATOM 1030 O LYS A 66 169.272 3.029 11.659 1.00 0.00 O ATOM 1031 CB LYS A 66 170.371 0.194 12.180 1.00 0.00 C ATOM 1032 CG LYS A 66 169.317 -0.886 12.357 1.00 0.00 C ATOM 1033 CD LYS A 66 169.883 -2.271 12.084 1.00 0.00 C ATOM 1034 CE LYS A 66 170.500 -2.876 13.333 1.00 0.00 C ATOM 1035 NZ LYS A 66 169.463 -3.369 14.282 1.00 0.00 N ATOM 0 H LYS A 66 171.971 2.063 11.320 1.00 0.00 H new ATOM 0 HA LYS A 66 169.980 0.287 10.068 1.00 0.00 H new ATOM 0 HB2 LYS A 66 171.359 -0.265 12.217 1.00 0.00 H new ATOM 0 HB3 LYS A 66 170.311 0.889 13.018 1.00 0.00 H new ATOM 0 HG2 LYS A 66 168.923 -0.847 13.372 1.00 0.00 H new ATOM 0 HG3 LYS A 66 168.482 -0.694 11.683 1.00 0.00 H new ATOM 0 HD2 LYS A 66 169.091 -2.923 11.716 1.00 0.00 H new ATOM 0 HD3 LYS A 66 170.636 -2.209 11.298 1.00 0.00 H new ATOM 0 HE2 LYS A 66 171.156 -3.700 13.051 1.00 0.00 H new ATOM 0 HE3 LYS A 66 171.121 -2.130 13.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 169.919 -3.908 15.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 168.951 -2.560 14.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 168.794 -3.984 13.776 1.00 0.00 H new ATOM 1049 N HIS A 67 167.979 1.722 10.359 1.00 0.00 N ATOM 1050 CA HIS A 67 166.837 2.633 10.411 1.00 0.00 C ATOM 1051 C HIS A 67 165.614 2.037 9.716 1.00 0.00 C ATOM 1052 O HIS A 67 165.739 1.307 8.736 1.00 0.00 O ATOM 1053 CB HIS A 67 167.198 3.974 9.771 1.00 0.00 C ATOM 1054 CG HIS A 67 166.736 5.158 10.564 1.00 0.00 C ATOM 1055 ND1 HIS A 67 165.695 6.002 10.371 1.00 0.00 N flip ATOM 1056 CD2 HIS A 67 167.370 5.588 11.711 1.00 0.00 C flip ATOM 1057 CE1 HIS A 67 165.720 6.917 11.394 1.00 0.00 C flip ATOM 1058 NE2 HIS A 67 166.738 6.644 12.190 1.00 0.00 N flip ATOM 0 H HIS A 67 167.826 0.879 9.805 1.00 0.00 H new ATOM 0 HA HIS A 67 166.587 2.790 11.460 1.00 0.00 H new ATOM 0 HB2 HIS A 67 168.280 4.029 9.647 1.00 0.00 H new ATOM 0 HB3 HIS A 67 166.760 4.021 8.774 1.00 0.00 H new ATOM 0 HD2 HIS A 67 168.246 5.133 12.149 1.00 0.00 H new ATOM 0 HE1 HIS A 67 165.020 7.729 11.527 1.00 0.00 H new ATOM 0 HE2 HIS A 67 166.993 7.161 13.032 1.00 0.00 H new ATOM 1067 N GLU A 68 164.433 2.356 10.238 1.00 0.00 N ATOM 1068 CA GLU A 68 163.181 1.854 9.679 1.00 0.00 C ATOM 1069 C GLU A 68 163.021 2.260 8.216 1.00 0.00 C ATOM 1070 O GLU A 68 162.400 1.545 7.429 1.00 0.00 O ATOM 1071 CB GLU A 68 161.992 2.370 10.493 1.00 0.00 C ATOM 1072 CG GLU A 68 161.853 3.884 10.478 1.00 0.00 C ATOM 1073 CD GLU A 68 160.461 4.338 10.081 1.00 0.00 C ATOM 1074 OE1 GLU A 68 159.791 3.608 9.323 1.00 0.00 O ATOM 1075 OE2 GLU A 68 160.042 5.427 10.529 1.00 0.00 O ATOM 0 H GLU A 68 164.317 2.962 11.050 1.00 0.00 H new ATOM 0 HA GLU A 68 163.209 0.766 9.729 1.00 0.00 H new ATOM 0 HB2 GLU A 68 161.076 1.926 10.103 1.00 0.00 H new ATOM 0 HB3 GLU A 68 162.096 2.034 11.525 1.00 0.00 H new ATOM 0 HG2 GLU A 68 162.091 4.277 11.466 1.00 0.00 H new ATOM 0 HG3 GLU A 68 162.580 4.305 9.784 1.00 0.00 H new ATOM 1082 N ASP A 69 163.581 3.411 7.854 1.00 0.00 N ATOM 1083 CA ASP A 69 163.491 3.901 6.484 1.00 0.00 C ATOM 1084 C ASP A 69 164.664 3.401 5.647 1.00 0.00 C ATOM 1085 O ASP A 69 165.824 3.639 5.981 1.00 0.00 O ATOM 1086 CB ASP A 69 163.451 5.432 6.468 1.00 0.00 C ATOM 1087 CG ASP A 69 162.166 5.971 5.874 1.00 0.00 C ATOM 1088 OD1 ASP A 69 161.114 5.320 6.044 1.00 0.00 O ATOM 1089 OD2 ASP A 69 162.210 7.044 5.237 1.00 0.00 O ATOM 0 H ASP A 69 164.100 4.019 8.488 1.00 0.00 H new ATOM 0 HA ASP A 69 162.569 3.516 6.048 1.00 0.00 H new ATOM 0 HB2 ASP A 69 163.562 5.806 7.486 1.00 0.00 H new ATOM 0 HB3 ASP A 69 164.299 5.809 5.895 1.00 0.00 H new ATOM 1094 N MET A 70 164.352 2.702 4.559 1.00 0.00 N ATOM 1095 CA MET A 70 165.383 2.165 3.677 1.00 0.00 C ATOM 1096 C MET A 70 166.284 3.274 3.148 1.00 0.00 C ATOM 1097 O MET A 70 167.510 3.144 3.143 1.00 0.00 O ATOM 1098 CB MET A 70 164.751 1.382 2.516 1.00 0.00 C ATOM 1099 CG MET A 70 164.041 2.241 1.475 1.00 0.00 C ATOM 1100 SD MET A 70 162.377 2.721 1.977 1.00 0.00 S ATOM 1101 CE MET A 70 161.617 1.115 2.206 1.00 0.00 C ATOM 0 H MET A 70 163.397 2.495 4.268 1.00 0.00 H new ATOM 0 HA MET A 70 165.999 1.480 4.260 1.00 0.00 H new ATOM 0 HB2 MET A 70 165.531 0.805 2.019 1.00 0.00 H new ATOM 0 HB3 MET A 70 164.037 0.667 2.925 1.00 0.00 H new ATOM 0 HG2 MET A 70 164.631 3.138 1.288 1.00 0.00 H new ATOM 0 HG3 MET A 70 163.987 1.693 0.534 1.00 0.00 H new ATOM 0 HE1 MET A 70 160.591 1.143 1.840 1.00 0.00 H new ATOM 0 HE2 MET A 70 162.180 0.364 1.652 1.00 0.00 H new ATOM 0 HE3 MET A 70 161.618 0.860 3.266 1.00 0.00 H new ATOM 1111 N TYR A 71 165.674 4.366 2.709 1.00 0.00 N ATOM 1112 CA TYR A 71 166.426 5.497 2.181 1.00 0.00 C ATOM 1113 C TYR A 71 167.221 6.176 3.287 1.00 0.00 C ATOM 1114 O TYR A 71 168.278 6.757 3.039 1.00 0.00 O ATOM 1115 CB TYR A 71 165.487 6.495 1.499 1.00 0.00 C ATOM 1116 CG TYR A 71 165.330 6.255 0.010 1.00 0.00 C ATOM 1117 CD1 TYR A 71 165.656 5.027 -0.556 1.00 0.00 C ATOM 1118 CD2 TYR A 71 164.859 7.257 -0.828 1.00 0.00 C ATOM 1119 CE1 TYR A 71 165.518 4.805 -1.911 1.00 0.00 C ATOM 1120 CE2 TYR A 71 164.718 7.043 -2.186 1.00 0.00 C ATOM 1121 CZ TYR A 71 165.049 5.816 -2.722 1.00 0.00 C ATOM 1122 OH TYR A 71 164.910 5.599 -4.074 1.00 0.00 O ATOM 0 H TYR A 71 164.662 4.493 2.708 1.00 0.00 H new ATOM 0 HA TYR A 71 167.129 5.124 1.436 1.00 0.00 H new ATOM 0 HB2 TYR A 71 164.507 6.442 1.973 1.00 0.00 H new ATOM 0 HB3 TYR A 71 165.865 7.505 1.659 1.00 0.00 H new ATOM 0 HD1 TYR A 71 166.024 4.233 0.077 1.00 0.00 H new ATOM 0 HD2 TYR A 71 164.599 8.219 -0.412 1.00 0.00 H new ATOM 0 HE1 TYR A 71 165.776 3.845 -2.333 1.00 0.00 H new ATOM 0 HE2 TYR A 71 164.350 7.833 -2.824 1.00 0.00 H new ATOM 0 HH TYR A 71 164.567 6.411 -4.502 1.00 0.00 H new ATOM 1132 N THR A 72 166.721 6.080 4.516 1.00 0.00 N ATOM 1133 CA THR A 72 167.407 6.667 5.658 1.00 0.00 C ATOM 1134 C THR A 72 168.629 5.828 6.012 1.00 0.00 C ATOM 1135 O THR A 72 169.631 6.345 6.506 1.00 0.00 O ATOM 1136 CB THR A 72 166.465 6.764 6.860 1.00 0.00 C ATOM 1137 OG1 THR A 72 165.356 7.595 6.563 1.00 0.00 O ATOM 1138 CG2 THR A 72 167.132 7.320 8.101 1.00 0.00 C ATOM 0 H THR A 72 165.848 5.604 4.744 1.00 0.00 H new ATOM 0 HA THR A 72 167.729 7.674 5.394 1.00 0.00 H new ATOM 0 HB THR A 72 166.150 5.740 7.062 1.00 0.00 H new ATOM 0 HG1 THR A 72 164.765 7.643 7.343 1.00 0.00 H new ATOM 0 HG21 THR A 72 166.408 7.362 8.915 1.00 0.00 H new ATOM 0 HG22 THR A 72 167.963 6.676 8.387 1.00 0.00 H new ATOM 0 HG23 THR A 72 167.505 8.323 7.895 1.00 0.00 H new ATOM 1146 N ALA A 73 168.538 4.528 5.741 1.00 0.00 N ATOM 1147 CA ALA A 73 169.636 3.611 6.012 1.00 0.00 C ATOM 1148 C ALA A 73 170.793 3.869 5.055 1.00 0.00 C ATOM 1149 O ALA A 73 171.959 3.794 5.439 1.00 0.00 O ATOM 1150 CB ALA A 73 169.161 2.170 5.900 1.00 0.00 C ATOM 0 H ALA A 73 167.713 4.088 5.333 1.00 0.00 H new ATOM 0 HA ALA A 73 169.988 3.781 7.030 1.00 0.00 H new ATOM 0 HB1 ALA A 73 169.993 1.496 6.105 1.00 0.00 H new ATOM 0 HB2 ALA A 73 168.364 1.993 6.622 1.00 0.00 H new ATOM 0 HB3 ALA A 73 168.786 1.988 4.893 1.00 0.00 H new ATOM 1156 N ILE A 74 170.460 4.186 3.806 1.00 0.00 N ATOM 1157 CA ILE A 74 171.481 4.471 2.799 1.00 0.00 C ATOM 1158 C ILE A 74 172.239 5.741 3.167 1.00 0.00 C ATOM 1159 O ILE A 74 173.467 5.790 3.096 1.00 0.00 O ATOM 1160 CB ILE A 74 170.905 4.644 1.367 1.00 0.00 C ATOM 1161 CG1 ILE A 74 169.514 4.016 1.223 1.00 0.00 C ATOM 1162 CG2 ILE A 74 171.858 4.042 0.346 1.00 0.00 C ATOM 1163 CD1 ILE A 74 169.502 2.511 1.373 1.00 0.00 C ATOM 0 H ILE A 74 169.500 4.252 3.468 1.00 0.00 H new ATOM 0 HA ILE A 74 172.142 3.604 2.790 1.00 0.00 H new ATOM 0 HB ILE A 74 170.800 5.713 1.184 1.00 0.00 H new ATOM 0 HG12 ILE A 74 168.851 4.451 1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 74 169.108 4.277 0.246 1.00 0.00 H new ATOM 0 HG21 ILE A 74 171.446 4.168 -0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 74 172.823 4.546 0.407 1.00 0.00 H new ATOM 0 HG23 ILE A 74 171.990 2.980 0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 74 168.483 2.142 1.258 1.00 0.00 H new ATOM 0 HD12 ILE A 74 170.138 2.064 0.609 1.00 0.00 H new ATOM 0 HD13 ILE A 74 169.877 2.241 2.360 1.00 0.00 H new ATOM 1175 N ASN A 75 171.490 6.769 3.560 1.00 0.00 N ATOM 1176 CA ASN A 75 172.080 8.048 3.940 1.00 0.00 C ATOM 1177 C ASN A 75 172.924 7.905 5.203 1.00 0.00 C ATOM 1178 O ASN A 75 174.122 8.189 5.195 1.00 0.00 O ATOM 1179 CB ASN A 75 170.983 9.090 4.164 1.00 0.00 C ATOM 1180 CG ASN A 75 170.327 9.527 2.868 1.00 0.00 C ATOM 1181 OD1 ASN A 75 170.977 10.095 1.991 1.00 0.00 O ATOM 1182 ND2 ASN A 75 169.031 9.264 2.743 1.00 0.00 N ATOM 0 H ASN A 75 170.472 6.740 3.623 1.00 0.00 H new ATOM 0 HA ASN A 75 172.727 8.377 3.127 1.00 0.00 H new ATOM 0 HB2 ASN A 75 170.225 8.678 4.831 1.00 0.00 H new ATOM 0 HB3 ASN A 75 171.409 9.960 4.664 1.00 0.00 H new ATOM 0 HD21 ASN A 75 168.535 9.535 1.894 1.00 0.00 H new ATOM 0 HD22 ASN A 75 168.532 8.791 3.496 1.00 0.00 H new ATOM 1189 N GLU A 76 172.292 7.465 6.288 1.00 0.00 N ATOM 1190 CA GLU A 76 172.989 7.287 7.558 1.00 0.00 C ATOM 1191 C GLU A 76 174.223 6.406 7.383 1.00 0.00 C ATOM 1192 O GLU A 76 175.223 6.576 8.079 1.00 0.00 O ATOM 1193 CB GLU A 76 172.049 6.670 8.597 1.00 0.00 C ATOM 1194 CG GLU A 76 171.308 7.699 9.433 1.00 0.00 C ATOM 1195 CD GLU A 76 172.244 8.610 10.203 1.00 0.00 C ATOM 1196 OE1 GLU A 76 172.637 8.242 11.329 1.00 0.00 O ATOM 1197 OE2 GLU A 76 172.585 9.692 9.679 1.00 0.00 O ATOM 0 H GLU A 76 171.301 7.226 6.313 1.00 0.00 H new ATOM 0 HA GLU A 76 173.312 8.267 7.908 1.00 0.00 H new ATOM 0 HB2 GLU A 76 171.323 6.037 8.087 1.00 0.00 H new ATOM 0 HB3 GLU A 76 172.626 6.024 9.259 1.00 0.00 H new ATOM 0 HG2 GLU A 76 170.674 8.302 8.782 1.00 0.00 H new ATOM 0 HG3 GLU A 76 170.649 7.186 10.133 1.00 0.00 H new ATOM 1204 N LEU A 77 174.143 5.466 6.448 1.00 0.00 N ATOM 1205 CA LEU A 77 175.250 4.556 6.178 1.00 0.00 C ATOM 1206 C LEU A 77 176.474 5.318 5.677 1.00 0.00 C ATOM 1207 O LEU A 77 177.570 5.174 6.217 1.00 0.00 O ATOM 1208 CB LEU A 77 174.828 3.506 5.147 1.00 0.00 C ATOM 1209 CG LEU A 77 175.937 2.553 4.699 1.00 0.00 C ATOM 1210 CD1 LEU A 77 175.346 1.232 4.227 1.00 0.00 C ATOM 1211 CD2 LEU A 77 176.774 3.188 3.599 1.00 0.00 C ATOM 0 H LEU A 77 173.321 5.314 5.863 1.00 0.00 H new ATOM 0 HA LEU A 77 175.516 4.057 7.110 1.00 0.00 H new ATOM 0 HB2 LEU A 77 174.011 2.917 5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 77 174.435 4.019 4.269 1.00 0.00 H new ATOM 0 HG LEU A 77 176.586 2.354 5.552 1.00 0.00 H new ATOM 0 HD11 LEU A 77 176.149 0.566 3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 77 174.790 0.770 5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 77 174.675 1.413 3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 77 177.558 2.496 3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 77 176.138 3.417 2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 77 177.227 4.107 3.971 1.00 0.00 H new ATOM 1223 N ILE A 78 176.280 6.124 4.639 1.00 0.00 N ATOM 1224 CA ILE A 78 177.368 6.904 4.061 1.00 0.00 C ATOM 1225 C ILE A 78 177.916 7.925 5.056 1.00 0.00 C ATOM 1226 O ILE A 78 179.058 8.367 4.940 1.00 0.00 O ATOM 1227 CB ILE A 78 176.913 7.634 2.778 1.00 0.00 C ATOM 1228 CG1 ILE A 78 178.100 8.334 2.113 1.00 0.00 C ATOM 1229 CG2 ILE A 78 175.808 8.635 3.091 1.00 0.00 C ATOM 1230 CD1 ILE A 78 177.985 8.413 0.606 1.00 0.00 C ATOM 0 H ILE A 78 175.378 6.254 4.180 1.00 0.00 H new ATOM 0 HA ILE A 78 178.161 6.200 3.809 1.00 0.00 H new ATOM 0 HB ILE A 78 176.515 6.893 2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 78 178.190 9.343 2.516 1.00 0.00 H new ATOM 0 HG13 ILE A 78 179.017 7.804 2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 78 175.502 9.138 2.174 1.00 0.00 H new ATOM 0 HG22 ILE A 78 174.954 8.111 3.520 1.00 0.00 H new ATOM 0 HG23 ILE A 78 176.177 9.373 3.804 1.00 0.00 H new ATOM 0 HD11 ILE A 78 178.860 8.921 0.200 1.00 0.00 H new ATOM 0 HD12 ILE A 78 177.926 7.406 0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 78 177.086 8.969 0.338 1.00 0.00 H new ATOM 1242 N ASN A 79 177.094 8.298 6.033 1.00 0.00 N ATOM 1243 CA ASN A 79 177.498 9.269 7.043 1.00 0.00 C ATOM 1244 C ASN A 79 178.563 8.688 7.970 1.00 0.00 C ATOM 1245 O ASN A 79 179.651 9.246 8.108 1.00 0.00 O ATOM 1246 CB ASN A 79 176.286 9.719 7.862 1.00 0.00 C ATOM 1247 CG ASN A 79 175.244 10.418 7.012 1.00 0.00 C ATOM 1248 OD1 ASN A 79 175.506 10.790 5.868 1.00 0.00 O ATOM 1249 ND2 ASN A 79 174.051 10.600 7.569 1.00 0.00 N ATOM 0 H ASN A 79 176.145 7.942 6.146 1.00 0.00 H new ATOM 0 HA ASN A 79 177.923 10.130 6.528 1.00 0.00 H new ATOM 0 HB2 ASN A 79 175.835 8.852 8.346 1.00 0.00 H new ATOM 0 HB3 ASN A 79 176.615 10.391 8.655 1.00 0.00 H new ATOM 0 HD21 ASN A 79 173.309 11.064 7.045 1.00 0.00 H new ATOM 0 HD22 ASN A 79 173.877 10.276 8.520 1.00 0.00 H new ATOM 1256 N LYS A 80 178.241 7.565 8.605 1.00 0.00 N ATOM 1257 CA LYS A 80 179.170 6.911 9.521 1.00 0.00 C ATOM 1258 C LYS A 80 180.466 6.535 8.811 1.00 0.00 C ATOM 1259 O LYS A 80 181.555 6.678 9.368 1.00 0.00 O ATOM 1260 CB LYS A 80 178.530 5.660 10.130 1.00 0.00 C ATOM 1261 CG LYS A 80 177.133 5.894 10.686 1.00 0.00 C ATOM 1262 CD LYS A 80 177.120 7.002 11.728 1.00 0.00 C ATOM 1263 CE LYS A 80 177.540 6.485 13.095 1.00 0.00 C ATOM 1264 NZ LYS A 80 176.454 5.706 13.752 1.00 0.00 N ATOM 0 H LYS A 80 177.345 7.089 8.502 1.00 0.00 H new ATOM 0 HA LYS A 80 179.404 7.616 10.318 1.00 0.00 H new ATOM 0 HB2 LYS A 80 178.482 4.881 9.369 1.00 0.00 H new ATOM 0 HB3 LYS A 80 179.171 5.287 10.929 1.00 0.00 H new ATOM 0 HG2 LYS A 80 176.456 6.152 9.872 1.00 0.00 H new ATOM 0 HG3 LYS A 80 176.759 4.972 11.131 1.00 0.00 H new ATOM 0 HD2 LYS A 80 177.792 7.802 11.418 1.00 0.00 H new ATOM 0 HD3 LYS A 80 176.120 7.432 11.792 1.00 0.00 H new ATOM 0 HE2 LYS A 80 178.425 5.857 12.989 1.00 0.00 H new ATOM 0 HE3 LYS A 80 177.820 7.325 13.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 176.712 5.516 14.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 175.569 6.252 13.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 176.321 4.805 13.250 1.00 0.00 H new ATOM 1278 N LEU A 81 180.344 6.051 7.580 1.00 0.00 N ATOM 1279 CA LEU A 81 181.507 5.652 6.796 1.00 0.00 C ATOM 1280 C LEU A 81 182.422 6.843 6.528 1.00 0.00 C ATOM 1281 O LEU A 81 183.643 6.738 6.644 1.00 0.00 O ATOM 1282 CB LEU A 81 181.064 5.025 5.472 1.00 0.00 C ATOM 1283 CG LEU A 81 182.020 3.979 4.896 1.00 0.00 C ATOM 1284 CD1 LEU A 81 183.294 4.639 4.394 1.00 0.00 C ATOM 1285 CD2 LEU A 81 182.342 2.918 5.938 1.00 0.00 C ATOM 0 H LEU A 81 179.451 5.925 7.103 1.00 0.00 H new ATOM 0 HA LEU A 81 182.065 4.914 7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 81 180.088 4.562 5.616 1.00 0.00 H new ATOM 0 HB3 LEU A 81 180.934 5.820 4.737 1.00 0.00 H new ATOM 0 HG LEU A 81 181.530 3.493 4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 81 183.962 3.879 3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 81 183.048 5.360 3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 81 183.788 5.152 5.219 1.00 0.00 H new ATOM 0 HD21 LEU A 81 183.023 2.183 5.510 1.00 0.00 H new ATOM 0 HD22 LEU A 81 182.811 3.388 6.802 1.00 0.00 H new ATOM 0 HD23 LEU A 81 181.422 2.423 6.249 1.00 0.00 H new ATOM 1297 N GLU A 82 181.825 7.975 6.166 1.00 0.00 N ATOM 1298 CA GLU A 82 182.589 9.186 5.880 1.00 0.00 C ATOM 1299 C GLU A 82 183.456 9.580 7.072 1.00 0.00 C ATOM 1300 O GLU A 82 184.660 9.793 6.930 1.00 0.00 O ATOM 1301 CB GLU A 82 181.644 10.336 5.514 1.00 0.00 C ATOM 1302 CG GLU A 82 181.773 10.790 4.069 1.00 0.00 C ATOM 1303 CD GLU A 82 180.639 10.288 3.197 1.00 0.00 C ATOM 1304 OE1 GLU A 82 180.753 9.164 2.664 1.00 0.00 O ATOM 1305 OE2 GLU A 82 179.636 11.019 3.049 1.00 0.00 O ATOM 0 H GLU A 82 180.816 8.079 6.064 1.00 0.00 H new ATOM 0 HA GLU A 82 183.244 8.981 5.033 1.00 0.00 H new ATOM 0 HB2 GLU A 82 180.616 10.024 5.698 1.00 0.00 H new ATOM 0 HB3 GLU A 82 181.843 11.182 6.172 1.00 0.00 H new ATOM 0 HG2 GLU A 82 181.798 11.879 4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 82 182.721 10.437 3.664 1.00 0.00 H new ATOM 1312 N ARG A 83 182.838 9.670 8.246 1.00 0.00 N ATOM 1313 CA ARG A 83 183.556 10.036 9.462 1.00 0.00 C ATOM 1314 C ARG A 83 184.706 9.067 9.725 1.00 0.00 C ATOM 1315 O ARG A 83 185.842 9.482 9.953 1.00 0.00 O ATOM 1316 CB ARG A 83 182.602 10.052 10.657 1.00 0.00 C ATOM 1317 CG ARG A 83 181.409 10.974 10.471 1.00 0.00 C ATOM 1318 CD ARG A 83 180.401 10.816 11.597 1.00 0.00 C ATOM 1319 NE ARG A 83 181.033 10.902 12.912 1.00 0.00 N ATOM 1320 CZ ARG A 83 181.389 12.047 13.490 1.00 0.00 C ATOM 1321 NH1 ARG A 83 181.178 13.202 12.873 1.00 0.00 N ATOM 1322 NH2 ARG A 83 181.959 12.036 14.687 1.00 0.00 N ATOM 0 H ARG A 83 181.842 9.495 8.381 1.00 0.00 H new ATOM 0 HA ARG A 83 183.970 11.035 9.325 1.00 0.00 H new ATOM 0 HB2 ARG A 83 182.243 9.039 10.838 1.00 0.00 H new ATOM 0 HB3 ARG A 83 183.152 10.359 11.546 1.00 0.00 H new ATOM 0 HG2 ARG A 83 181.750 12.008 10.430 1.00 0.00 H new ATOM 0 HG3 ARG A 83 180.927 10.759 9.517 1.00 0.00 H new ATOM 0 HD2 ARG A 83 179.637 11.588 11.511 1.00 0.00 H new ATOM 0 HD3 ARG A 83 179.896 9.855 11.499 1.00 0.00 H new ATOM 0 HE ARG A 83 181.212 10.034 13.416 1.00 0.00 H new ATOM 0 HH11 ARG A 83 180.741 13.216 11.951 1.00 0.00 H new ATOM 0 HH12 ARG A 83 181.453 14.077 13.320 1.00 0.00 H new ATOM 0 HH21 ARG A 83 182.125 11.150 15.165 1.00 0.00 H new ATOM 0 HH22 ARG A 83 182.232 12.913 15.130 1.00 0.00 H new ATOM 1336 N GLN A 84 184.400 7.775 9.688 1.00 0.00 N ATOM 1337 CA GLN A 84 185.405 6.745 9.917 1.00 0.00 C ATOM 1338 C GLN A 84 186.515 6.829 8.874 1.00 0.00 C ATOM 1339 O GLN A 84 187.665 6.483 9.145 1.00 0.00 O ATOM 1340 CB GLN A 84 184.758 5.358 9.883 1.00 0.00 C ATOM 1341 CG GLN A 84 185.748 4.214 10.047 1.00 0.00 C ATOM 1342 CD GLN A 84 185.674 3.210 8.911 1.00 0.00 C ATOM 1343 OE1 GLN A 84 186.697 2.725 8.429 1.00 0.00 O ATOM 1344 NE2 GLN A 84 184.459 2.893 8.479 1.00 0.00 N ATOM 0 H GLN A 84 183.464 7.416 9.501 1.00 0.00 H new ATOM 0 HA GLN A 84 185.844 6.909 10.901 1.00 0.00 H new ATOM 0 HB2 GLN A 84 184.011 5.296 10.675 1.00 0.00 H new ATOM 0 HB3 GLN A 84 184.230 5.237 8.937 1.00 0.00 H new ATOM 0 HG2 GLN A 84 186.759 4.618 10.104 1.00 0.00 H new ATOM 0 HG3 GLN A 84 185.555 3.704 10.991 1.00 0.00 H new ATOM 0 HE21 GLN A 84 183.638 3.320 8.908 1.00 0.00 H new ATOM 0 HE22 GLN A 84 184.347 2.223 7.718 1.00 0.00 H new ATOM 1353 N LEU A 85 186.160 7.292 7.680 1.00 0.00 N ATOM 1354 CA LEU A 85 187.123 7.423 6.593 1.00 0.00 C ATOM 1355 C LEU A 85 188.108 8.557 6.869 1.00 0.00 C ATOM 1356 O LEU A 85 189.318 8.388 6.723 1.00 0.00 O ATOM 1357 CB LEU A 85 186.398 7.673 5.269 1.00 0.00 C ATOM 1358 CG LEU A 85 187.037 7.013 4.048 1.00 0.00 C ATOM 1359 CD1 LEU A 85 185.984 6.718 2.990 1.00 0.00 C ATOM 1360 CD2 LEU A 85 188.137 7.896 3.480 1.00 0.00 C ATOM 0 H LEU A 85 185.212 7.583 7.441 1.00 0.00 H new ATOM 0 HA LEU A 85 187.682 6.490 6.523 1.00 0.00 H new ATOM 0 HB2 LEU A 85 185.372 7.316 5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 85 186.347 8.748 5.097 1.00 0.00 H new ATOM 0 HG LEU A 85 187.483 6.068 4.359 1.00 0.00 H new ATOM 0 HD11 LEU A 85 186.457 6.248 2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 85 185.232 6.046 3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 85 185.508 7.649 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 85 188.581 7.410 2.611 1.00 0.00 H new ATOM 0 HD22 LEU A 85 187.716 8.856 3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 85 188.904 8.055 4.238 1.00 0.00 H new ATOM 1372 N ASN A 86 187.579 9.709 7.268 1.00 0.00 N ATOM 1373 CA ASN A 86 188.410 10.871 7.565 1.00 0.00 C ATOM 1374 C ASN A 86 189.468 10.532 8.611 1.00 0.00 C ATOM 1375 O ASN A 86 190.625 10.936 8.493 1.00 0.00 O ATOM 1376 CB ASN A 86 187.543 12.031 8.057 1.00 0.00 C ATOM 1377 CG ASN A 86 186.660 12.596 6.963 1.00 0.00 C ATOM 1378 OD1 ASN A 86 187.131 13.303 6.071 1.00 0.00 O ATOM 1379 ND2 ASN A 86 185.369 12.289 7.026 1.00 0.00 N ATOM 0 H ASN A 86 186.579 9.863 7.393 1.00 0.00 H new ATOM 0 HA ASN A 86 188.916 11.168 6.647 1.00 0.00 H new ATOM 0 HB2 ASN A 86 186.920 11.690 8.884 1.00 0.00 H new ATOM 0 HB3 ASN A 86 188.185 12.821 8.447 1.00 0.00 H new ATOM 0 HD21 ASN A 86 184.726 12.642 6.318 1.00 0.00 H new ATOM 0 HD22 ASN A 86 185.021 11.700 7.783 1.00 0.00 H new ATOM 1386 N LYS A 87 189.062 9.785 9.631 1.00 0.00 N ATOM 1387 CA LYS A 87 189.972 9.387 10.700 1.00 0.00 C ATOM 1388 C LYS A 87 191.122 8.547 10.149 1.00 0.00 C ATOM 1389 O LYS A 87 192.292 8.873 10.346 1.00 0.00 O ATOM 1390 CB LYS A 87 189.214 8.599 11.772 1.00 0.00 C ATOM 1391 CG LYS A 87 190.103 8.049 12.876 1.00 0.00 C ATOM 1392 CD LYS A 87 190.541 6.622 12.588 1.00 0.00 C ATOM 1393 CE LYS A 87 189.351 5.682 12.470 1.00 0.00 C ATOM 1394 NZ LYS A 87 189.753 4.254 12.599 1.00 0.00 N ATOM 0 H LYS A 87 188.108 9.442 9.741 1.00 0.00 H new ATOM 0 HA LYS A 87 190.388 10.289 11.148 1.00 0.00 H new ATOM 0 HB2 LYS A 87 188.457 9.245 12.217 1.00 0.00 H new ATOM 0 HB3 LYS A 87 188.688 7.771 11.297 1.00 0.00 H new ATOM 0 HG2 LYS A 87 190.982 8.684 12.986 1.00 0.00 H new ATOM 0 HG3 LYS A 87 189.567 8.081 13.824 1.00 0.00 H new ATOM 0 HD2 LYS A 87 191.117 6.598 11.663 1.00 0.00 H new ATOM 0 HD3 LYS A 87 191.201 6.276 13.384 1.00 0.00 H new ATOM 0 HE2 LYS A 87 188.620 5.924 13.242 1.00 0.00 H new ATOM 0 HE3 LYS A 87 188.862 5.835 11.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 188.913 3.648 12.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 190.431 4.015 11.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 190.197 4.101 13.527 1.00 0.00 H new ATOM 1408 N LEU A 88 190.775 7.464 9.462 1.00 0.00 N ATOM 1409 CA LEU A 88 191.775 6.571 8.883 1.00 0.00 C ATOM 1410 C LEU A 88 192.727 7.329 7.960 1.00 0.00 C ATOM 1411 O LEU A 88 193.872 6.922 7.765 1.00 0.00 O ATOM 1412 CB LEU A 88 191.088 5.438 8.114 1.00 0.00 C ATOM 1413 CG LEU A 88 191.466 4.027 8.564 1.00 0.00 C ATOM 1414 CD1 LEU A 88 190.582 2.994 7.884 1.00 0.00 C ATOM 1415 CD2 LEU A 88 192.934 3.750 8.273 1.00 0.00 C ATOM 0 H LEU A 88 189.809 7.182 9.292 1.00 0.00 H new ATOM 0 HA LEU A 88 192.361 6.148 9.699 1.00 0.00 H new ATOM 0 HB2 LEU A 88 190.009 5.557 8.210 1.00 0.00 H new ATOM 0 HB3 LEU A 88 191.327 5.541 7.055 1.00 0.00 H new ATOM 0 HG LEU A 88 191.309 3.956 9.640 1.00 0.00 H new ATOM 0 HD11 LEU A 88 190.866 1.996 8.217 1.00 0.00 H new ATOM 0 HD12 LEU A 88 189.540 3.180 8.143 1.00 0.00 H new ATOM 0 HD13 LEU A 88 190.705 3.065 6.803 1.00 0.00 H new ATOM 0 HD21 LEU A 88 193.186 2.741 8.600 1.00 0.00 H new ATOM 0 HD22 LEU A 88 193.116 3.840 7.202 1.00 0.00 H new ATOM 0 HD23 LEU A 88 193.553 4.470 8.808 1.00 0.00 H new