USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=20 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 67 HIS : no HD1:sc= -2.12 X(o=-2.1,f=-1.7) USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 56 THR OG1 : rot -153:sc= 1.4 USER MOD Set 2.2: A 58 ASN : amide:sc= -6.18! C(o=-4.8!,f=-6.5!) USER MOD Set 3.1: A 6 THR OG1 : rot 170:sc= 0.123 USER MOD Set 3.2: A 38 HIS : no HE2:sc= 0.113 K(o=0.24,f=-0.36) USER MOD Set 4.1: A 4 ASN : amide:sc= -1.71 X(o=-1.9,f=-1.5) USER MOD Set 4.2: A 36 ASN : amide:sc= -0.145 K(o=-1.9,f=-2.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= -0.291 (180deg=-0.516) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot -118:sc= -2.44 USER MOD Single : A 8 LYS NZ :NH3+ -167:sc= -0.0458 (180deg=-0.334) USER MOD Single : A 9 GLN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 10 MET CE :methyl -123:sc= -0.0117 (180deg=-0.551) USER MOD Single : A 13 THR OG1 : rot -173:sc= -1.28 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 HIS :FLIP no HE2:sc= -2.49 F(o=-5!,f=-2.5) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.341) USER MOD Single : A 31 GLN : amide:sc= -0.0532 X(o=-0.053,f=0) USER MOD Single : A 32 THR OG1 : rot 55:sc= -0.431 USER MOD Single : A 33 HIS :FLIP no HD1:sc= -0.827 F(o=-1.7,f=-0.83) USER MOD Single : A 42 SER OG : rot 160:sc= -1.13! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.528 X(o=-0.53,f=-0.31) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.43 USER MOD Single : A 55 ASN : amide:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 64 SER OG : rot -78:sc= 1.16 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -173:sc= -0.645 (180deg=-0.764) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.768 X(o=-0.77,f=-0.33) USER MOD Single : A 79 ASN : amide:sc= -5.12! C(o=-5.1!,f=-13!) USER MOD Single : A 80 LYS NZ :NH3+ -104:sc= -0.114 (180deg=-2.66) USER MOD Single : A 84 GLN : amide:sc= -5.39! C(o=-5.4!,f=-10!) USER MOD Single : A 86 ASN : amide:sc= -3.23 K(o=-3.2,f=-5.2!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 185.417 -0.944 -6.963 1.00 0.00 N ATOM 2 CA MET A 1 185.583 -1.510 -8.327 1.00 0.00 C ATOM 3 C MET A 1 184.570 -2.619 -8.592 1.00 0.00 C ATOM 4 O MET A 1 183.856 -2.595 -9.595 1.00 0.00 O ATOM 5 CB MET A 1 187.007 -2.055 -8.460 1.00 0.00 C ATOM 6 CG MET A 1 188.083 -1.023 -8.161 1.00 0.00 C ATOM 7 SD MET A 1 187.935 0.452 -9.187 1.00 0.00 S ATOM 8 CE MET A 1 189.436 0.342 -10.159 1.00 0.00 C ATOM 0 H1 MET A 1 186.061 -0.137 -6.841 1.00 0.00 H new ATOM 0 H2 MET A 1 184.435 -0.625 -6.836 1.00 0.00 H new ATOM 0 H3 MET A 1 185.638 -1.673 -6.255 1.00 0.00 H new ATOM 0 HA MET A 1 185.410 -0.724 -9.062 1.00 0.00 H new ATOM 0 HB2 MET A 1 187.128 -2.901 -7.783 1.00 0.00 H new ATOM 0 HB3 MET A 1 187.149 -2.434 -9.472 1.00 0.00 H new ATOM 0 HG2 MET A 1 188.025 -0.737 -7.111 1.00 0.00 H new ATOM 0 HG3 MET A 1 189.064 -1.472 -8.316 1.00 0.00 H new ATOM 0 HE1 MET A 1 189.489 1.188 -10.844 1.00 0.00 H new ATOM 0 HE2 MET A 1 190.301 0.358 -9.496 1.00 0.00 H new ATOM 0 HE3 MET A 1 189.433 -0.587 -10.729 1.00 0.00 H new ATOM 20 N THR A 2 184.511 -3.589 -7.686 1.00 0.00 N ATOM 21 CA THR A 2 183.583 -4.707 -7.821 1.00 0.00 C ATOM 22 C THR A 2 182.395 -4.546 -6.878 1.00 0.00 C ATOM 23 O THR A 2 182.481 -4.875 -5.695 1.00 0.00 O ATOM 24 CB THR A 2 184.298 -6.029 -7.541 1.00 0.00 C ATOM 25 OG1 THR A 2 185.468 -6.144 -8.329 1.00 0.00 O ATOM 26 CG2 THR A 2 183.439 -7.244 -7.814 1.00 0.00 C ATOM 0 H THR A 2 185.095 -3.624 -6.850 1.00 0.00 H new ATOM 0 HA THR A 2 183.211 -4.715 -8.845 1.00 0.00 H new ATOM 0 HB THR A 2 184.539 -6.006 -6.478 1.00 0.00 H new ATOM 0 HG1 THR A 2 185.912 -6.996 -8.134 1.00 0.00 H new ATOM 0 HG21 THR A 2 184.007 -8.148 -7.595 1.00 0.00 H new ATOM 0 HG22 THR A 2 182.551 -7.211 -7.182 1.00 0.00 H new ATOM 0 HG23 THR A 2 183.139 -7.249 -8.862 1.00 0.00 H new ATOM 34 N MET A 3 181.288 -4.039 -7.410 1.00 0.00 N ATOM 35 CA MET A 3 180.081 -3.833 -6.617 1.00 0.00 C ATOM 36 C MET A 3 179.606 -5.143 -5.994 1.00 0.00 C ATOM 37 O MET A 3 178.791 -5.858 -6.575 1.00 0.00 O ATOM 38 CB MET A 3 178.973 -3.233 -7.487 1.00 0.00 C ATOM 39 CG MET A 3 178.349 -1.979 -6.895 1.00 0.00 C ATOM 40 SD MET A 3 176.555 -1.938 -7.086 1.00 0.00 S ATOM 41 CE MET A 3 176.112 -0.731 -5.840 1.00 0.00 C ATOM 0 H MET A 3 181.201 -3.763 -8.388 1.00 0.00 H new ATOM 0 HA MET A 3 180.318 -3.138 -5.812 1.00 0.00 H new ATOM 0 HB2 MET A 3 179.381 -2.997 -8.470 1.00 0.00 H new ATOM 0 HB3 MET A 3 178.194 -3.981 -7.637 1.00 0.00 H new ATOM 0 HG2 MET A 3 178.599 -1.919 -5.836 1.00 0.00 H new ATOM 0 HG3 MET A 3 178.782 -1.101 -7.375 1.00 0.00 H new ATOM 0 HE1 MET A 3 175.031 -0.594 -5.834 1.00 0.00 H new ATOM 0 HE2 MET A 3 176.439 -1.082 -4.861 1.00 0.00 H new ATOM 0 HE3 MET A 3 176.597 0.219 -6.065 1.00 0.00 H new ATOM 51 N ASN A 4 180.121 -5.450 -4.807 1.00 0.00 N ATOM 52 CA ASN A 4 179.749 -6.673 -4.105 1.00 0.00 C ATOM 53 C ASN A 4 178.495 -6.456 -3.264 1.00 0.00 C ATOM 54 O ASN A 4 178.510 -5.703 -2.292 1.00 0.00 O ATOM 55 CB ASN A 4 180.899 -7.146 -3.212 1.00 0.00 C ATOM 56 CG ASN A 4 182.228 -7.157 -3.940 1.00 0.00 C ATOM 57 OD1 ASN A 4 182.462 -7.986 -4.819 1.00 0.00 O ATOM 58 ND2 ASN A 4 183.111 -6.234 -3.573 1.00 0.00 N ATOM 0 H ASN A 4 180.797 -4.869 -4.312 1.00 0.00 H new ATOM 0 HA ASN A 4 179.539 -7.440 -4.851 1.00 0.00 H new ATOM 0 HB2 ASN A 4 180.970 -6.495 -2.341 1.00 0.00 H new ATOM 0 HB3 ASN A 4 180.681 -8.149 -2.844 1.00 0.00 H new ATOM 0 HD21 ASN A 4 184.024 -6.194 -4.025 1.00 0.00 H new ATOM 0 HD22 ASN A 4 182.875 -5.566 -2.839 1.00 0.00 H new ATOM 65 N ILE A 5 177.410 -7.122 -3.646 1.00 0.00 N ATOM 66 CA ILE A 5 176.148 -7.002 -2.927 1.00 0.00 C ATOM 67 C ILE A 5 175.723 -8.339 -2.331 1.00 0.00 C ATOM 68 O ILE A 5 175.571 -9.330 -3.046 1.00 0.00 O ATOM 69 CB ILE A 5 175.023 -6.482 -3.843 1.00 0.00 C ATOM 70 CG1 ILE A 5 175.488 -5.242 -4.611 1.00 0.00 C ATOM 71 CG2 ILE A 5 173.775 -6.173 -3.027 1.00 0.00 C ATOM 72 CD1 ILE A 5 175.387 -5.390 -6.114 1.00 0.00 C ATOM 0 H ILE A 5 177.380 -7.750 -4.449 1.00 0.00 H new ATOM 0 HA ILE A 5 176.313 -6.284 -2.123 1.00 0.00 H new ATOM 0 HB ILE A 5 174.777 -7.259 -4.566 1.00 0.00 H new ATOM 0 HG12 ILE A 5 174.892 -4.385 -4.297 1.00 0.00 H new ATOM 0 HG13 ILE A 5 176.522 -5.025 -4.344 1.00 0.00 H new ATOM 0 HG21 ILE A 5 172.990 -5.807 -3.688 1.00 0.00 H new ATOM 0 HG22 ILE A 5 173.434 -7.079 -2.526 1.00 0.00 H new ATOM 0 HG23 ILE A 5 174.007 -5.412 -2.282 1.00 0.00 H new ATOM 0 HD11 ILE A 5 175.733 -4.474 -6.594 1.00 0.00 H new ATOM 0 HD12 ILE A 5 176.006 -6.226 -6.440 1.00 0.00 H new ATOM 0 HD13 ILE A 5 174.350 -5.576 -6.392 1.00 0.00 H new ATOM 84 N THR A 6 175.533 -8.357 -1.016 1.00 0.00 N ATOM 85 CA THR A 6 175.123 -9.570 -0.317 1.00 0.00 C ATOM 86 C THR A 6 173.986 -9.271 0.657 1.00 0.00 C ATOM 87 O THR A 6 174.205 -9.134 1.860 1.00 0.00 O ATOM 88 CB THR A 6 176.313 -10.186 0.427 1.00 0.00 C ATOM 89 OG1 THR A 6 177.518 -9.520 0.093 1.00 0.00 O ATOM 90 CG2 THR A 6 176.507 -11.657 0.131 1.00 0.00 C ATOM 0 H THR A 6 175.657 -7.544 -0.412 1.00 0.00 H new ATOM 0 HA THR A 6 174.764 -10.287 -1.056 1.00 0.00 H new ATOM 0 HB THR A 6 176.079 -10.070 1.485 1.00 0.00 H new ATOM 0 HG1 THR A 6 178.234 -9.821 0.690 1.00 0.00 H new ATOM 0 HG21 THR A 6 177.365 -12.030 0.689 1.00 0.00 H new ATOM 0 HG22 THR A 6 175.614 -12.208 0.426 1.00 0.00 H new ATOM 0 HG23 THR A 6 176.681 -11.793 -0.936 1.00 0.00 H new ATOM 98 N SER A 7 172.775 -9.164 0.123 1.00 0.00 N ATOM 99 CA SER A 7 171.601 -8.876 0.939 1.00 0.00 C ATOM 100 C SER A 7 171.078 -10.141 1.609 1.00 0.00 C ATOM 101 O SER A 7 170.827 -11.148 0.946 1.00 0.00 O ATOM 102 CB SER A 7 170.503 -8.253 0.079 1.00 0.00 C ATOM 103 OG SER A 7 170.752 -6.879 -0.150 1.00 0.00 O ATOM 0 H SER A 7 172.580 -9.272 -0.872 1.00 0.00 H new ATOM 0 HA SER A 7 171.894 -8.170 1.717 1.00 0.00 H new ATOM 0 HB2 SER A 7 170.442 -8.778 -0.874 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.538 -8.374 0.572 1.00 0.00 H new ATOM 0 HG SER A 7 170.025 -6.346 0.235 1.00 0.00 H new ATOM 109 N LYS A 8 170.908 -10.085 2.926 1.00 0.00 N ATOM 110 CA LYS A 8 170.408 -11.226 3.678 1.00 0.00 C ATOM 111 C LYS A 8 168.908 -11.394 3.458 1.00 0.00 C ATOM 112 O LYS A 8 168.105 -10.626 3.988 1.00 0.00 O ATOM 113 CB LYS A 8 170.702 -11.056 5.171 1.00 0.00 C ATOM 114 CG LYS A 8 170.189 -12.202 6.032 1.00 0.00 C ATOM 115 CD LYS A 8 170.534 -11.992 7.497 1.00 0.00 C ATOM 116 CE LYS A 8 170.109 -13.180 8.348 1.00 0.00 C ATOM 117 NZ LYS A 8 168.695 -13.569 8.094 1.00 0.00 N ATOM 0 H LYS A 8 171.110 -9.261 3.493 1.00 0.00 H new ATOM 0 HA LYS A 8 170.918 -12.120 3.320 1.00 0.00 H new ATOM 0 HB2 LYS A 8 171.779 -10.962 5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 8 170.253 -10.125 5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 8 169.108 -12.288 5.920 1.00 0.00 H new ATOM 0 HG3 LYS A 8 170.621 -13.141 5.686 1.00 0.00 H new ATOM 0 HD2 LYS A 8 171.608 -11.836 7.600 1.00 0.00 H new ATOM 0 HD3 LYS A 8 170.044 -11.089 7.861 1.00 0.00 H new ATOM 0 HE2 LYS A 8 170.762 -14.028 8.139 1.00 0.00 H new ATOM 0 HE3 LYS A 8 170.234 -12.934 9.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 168.377 -14.225 8.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 168.094 -12.720 8.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 168.624 -14.034 7.166 1.00 0.00 H new ATOM 131 N GLN A 9 168.540 -12.400 2.670 1.00 0.00 N ATOM 132 CA GLN A 9 167.136 -12.677 2.370 1.00 0.00 C ATOM 133 C GLN A 9 166.534 -11.573 1.498 1.00 0.00 C ATOM 134 O GLN A 9 166.119 -11.824 0.366 1.00 0.00 O ATOM 135 CB GLN A 9 166.344 -12.862 3.679 1.00 0.00 C ATOM 136 CG GLN A 9 164.879 -12.435 3.623 1.00 0.00 C ATOM 137 CD GLN A 9 164.394 -11.873 4.945 1.00 0.00 C ATOM 138 OE1 GLN A 9 163.470 -12.405 5.559 1.00 0.00 O ATOM 139 NE2 GLN A 9 165.021 -10.788 5.390 1.00 0.00 N ATOM 0 H GLN A 9 169.197 -13.041 2.225 1.00 0.00 H new ATOM 0 HA GLN A 9 167.074 -13.605 1.801 1.00 0.00 H new ATOM 0 HB2 GLN A 9 166.388 -13.913 3.965 1.00 0.00 H new ATOM 0 HB3 GLN A 9 166.840 -12.296 4.467 1.00 0.00 H new ATOM 0 HG2 GLN A 9 164.751 -11.685 2.843 1.00 0.00 H new ATOM 0 HG3 GLN A 9 164.263 -13.291 3.347 1.00 0.00 H new ATOM 0 HE21 GLN A 9 165.782 -10.380 4.847 1.00 0.00 H new ATOM 0 HE22 GLN A 9 164.740 -10.363 6.274 1.00 0.00 H new ATOM 148 N MET A 10 166.480 -10.354 2.029 1.00 0.00 N ATOM 149 CA MET A 10 165.919 -9.224 1.292 1.00 0.00 C ATOM 150 C MET A 10 166.656 -9.004 -0.028 1.00 0.00 C ATOM 151 O MET A 10 167.771 -9.489 -0.216 1.00 0.00 O ATOM 152 CB MET A 10 165.977 -7.951 2.143 1.00 0.00 C ATOM 153 CG MET A 10 165.019 -6.864 1.678 1.00 0.00 C ATOM 154 SD MET A 10 163.301 -7.408 1.657 1.00 0.00 S ATOM 155 CE MET A 10 162.445 -5.836 1.655 1.00 0.00 C ATOM 0 H MET A 10 166.817 -10.123 2.964 1.00 0.00 H new ATOM 0 HA MET A 10 164.878 -9.456 1.067 1.00 0.00 H new ATOM 0 HB2 MET A 10 165.750 -8.205 3.178 1.00 0.00 H new ATOM 0 HB3 MET A 10 166.994 -7.559 2.127 1.00 0.00 H new ATOM 0 HG2 MET A 10 165.113 -5.999 2.334 1.00 0.00 H new ATOM 0 HG3 MET A 10 165.304 -6.538 0.678 1.00 0.00 H new ATOM 0 HE1 MET A 10 161.770 -5.788 2.510 1.00 0.00 H new ATOM 0 HE2 MET A 10 163.171 -5.026 1.720 1.00 0.00 H new ATOM 0 HE3 MET A 10 161.871 -5.735 0.734 1.00 0.00 H new ATOM 165 N GLU A 11 166.021 -8.268 -0.937 1.00 0.00 N ATOM 166 CA GLU A 11 166.614 -7.980 -2.241 1.00 0.00 C ATOM 167 C GLU A 11 166.938 -6.495 -2.379 1.00 0.00 C ATOM 168 O GLU A 11 166.641 -5.699 -1.487 1.00 0.00 O ATOM 169 CB GLU A 11 165.674 -8.419 -3.370 1.00 0.00 C ATOM 170 CG GLU A 11 164.240 -7.933 -3.209 1.00 0.00 C ATOM 171 CD GLU A 11 163.984 -6.622 -3.924 1.00 0.00 C ATOM 172 OE1 GLU A 11 164.958 -5.888 -4.186 1.00 0.00 O ATOM 173 OE2 GLU A 11 162.806 -6.329 -4.223 1.00 0.00 O ATOM 0 H GLU A 11 165.097 -7.860 -0.795 1.00 0.00 H new ATOM 0 HA GLU A 11 167.544 -8.544 -2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 11 166.066 -8.052 -4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 11 165.673 -9.508 -3.425 1.00 0.00 H new ATOM 0 HG2 GLU A 11 163.558 -8.691 -3.594 1.00 0.00 H new ATOM 0 HG3 GLU A 11 164.018 -7.813 -2.149 1.00 0.00 H new ATOM 180 N ILE A 12 167.550 -6.129 -3.503 1.00 0.00 N ATOM 181 CA ILE A 12 167.919 -4.739 -3.757 1.00 0.00 C ATOM 182 C ILE A 12 166.891 -4.048 -4.646 1.00 0.00 C ATOM 183 O ILE A 12 166.555 -4.543 -5.723 1.00 0.00 O ATOM 184 CB ILE A 12 169.308 -4.620 -4.427 1.00 0.00 C ATOM 185 CG1 ILE A 12 170.139 -5.885 -4.202 1.00 0.00 C ATOM 186 CG2 ILE A 12 170.047 -3.399 -3.896 1.00 0.00 C ATOM 187 CD1 ILE A 12 170.306 -6.251 -2.744 1.00 0.00 C ATOM 0 H ILE A 12 167.801 -6.775 -4.251 1.00 0.00 H new ATOM 0 HA ILE A 12 167.952 -4.251 -2.783 1.00 0.00 H new ATOM 0 HB ILE A 12 169.157 -4.502 -5.500 1.00 0.00 H new ATOM 0 HG12 ILE A 12 169.667 -6.717 -4.725 1.00 0.00 H new ATOM 0 HG13 ILE A 12 171.124 -5.746 -4.648 1.00 0.00 H new ATOM 0 HG21 ILE A 12 171.023 -3.327 -4.376 1.00 0.00 H new ATOM 0 HG22 ILE A 12 169.469 -2.501 -4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 12 170.179 -3.494 -2.818 1.00 0.00 H new ATOM 0 HD11 ILE A 12 170.906 -7.158 -2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 12 170.806 -5.437 -2.219 1.00 0.00 H new ATOM 0 HD13 ILE A 12 169.327 -6.423 -2.297 1.00 0.00 H new ATOM 199 N THR A 13 166.398 -2.899 -4.194 1.00 0.00 N ATOM 200 CA THR A 13 165.415 -2.137 -4.954 1.00 0.00 C ATOM 201 C THR A 13 166.102 -1.033 -5.757 1.00 0.00 C ATOM 202 O THR A 13 167.203 -0.602 -5.413 1.00 0.00 O ATOM 203 CB THR A 13 164.359 -1.530 -4.020 1.00 0.00 C ATOM 204 OG1 THR A 13 164.779 -0.265 -3.541 1.00 0.00 O ATOM 205 CG2 THR A 13 164.046 -2.394 -2.816 1.00 0.00 C ATOM 0 H THR A 13 166.664 -2.476 -3.305 1.00 0.00 H new ATOM 0 HA THR A 13 164.917 -2.817 -5.645 1.00 0.00 H new ATOM 0 HB THR A 13 163.458 -1.446 -4.628 1.00 0.00 H new ATOM 0 HG1 THR A 13 164.147 0.055 -2.864 1.00 0.00 H new ATOM 0 HG21 THR A 13 163.292 -1.902 -2.201 1.00 0.00 H new ATOM 0 HG22 THR A 13 163.668 -3.360 -3.150 1.00 0.00 H new ATOM 0 HG23 THR A 13 164.952 -2.542 -2.229 1.00 0.00 H new ATOM 213 N PRO A 14 165.461 -0.557 -6.838 1.00 0.00 N ATOM 214 CA PRO A 14 166.021 0.503 -7.684 1.00 0.00 C ATOM 215 C PRO A 14 166.352 1.761 -6.887 1.00 0.00 C ATOM 216 O PRO A 14 167.371 2.410 -7.125 1.00 0.00 O ATOM 217 CB PRO A 14 164.909 0.786 -8.706 1.00 0.00 C ATOM 218 CG PRO A 14 163.679 0.168 -8.132 1.00 0.00 C ATOM 219 CD PRO A 14 164.148 -1.004 -7.321 1.00 0.00 C ATOM 0 HA PRO A 14 166.962 0.200 -8.143 1.00 0.00 H new ATOM 0 HB2 PRO A 14 164.777 1.857 -8.857 1.00 0.00 H new ATOM 0 HB3 PRO A 14 165.149 0.355 -9.678 1.00 0.00 H new ATOM 0 HG2 PRO A 14 163.137 0.881 -7.511 1.00 0.00 H new ATOM 0 HG3 PRO A 14 162.997 -0.150 -8.921 1.00 0.00 H new ATOM 0 HD2 PRO A 14 163.468 -1.226 -6.499 1.00 0.00 H new ATOM 0 HD3 PRO A 14 164.225 -1.909 -7.924 1.00 0.00 H new ATOM 227 N ALA A 15 165.483 2.099 -5.941 1.00 0.00 N ATOM 228 CA ALA A 15 165.681 3.278 -5.108 1.00 0.00 C ATOM 229 C ALA A 15 166.933 3.143 -4.246 1.00 0.00 C ATOM 230 O ALA A 15 167.712 4.087 -4.114 1.00 0.00 O ATOM 231 CB ALA A 15 164.456 3.515 -4.236 1.00 0.00 C ATOM 0 H ALA A 15 164.635 1.573 -5.732 1.00 0.00 H new ATOM 0 HA ALA A 15 165.820 4.137 -5.764 1.00 0.00 H new ATOM 0 HB1 ALA A 15 164.615 4.398 -3.618 1.00 0.00 H new ATOM 0 HB2 ALA A 15 163.582 3.668 -4.870 1.00 0.00 H new ATOM 0 HB3 ALA A 15 164.292 2.648 -3.595 1.00 0.00 H new ATOM 237 N ILE A 16 167.117 1.966 -3.656 1.00 0.00 N ATOM 238 CA ILE A 16 168.272 1.712 -2.801 1.00 0.00 C ATOM 239 C ILE A 16 169.562 1.630 -3.614 1.00 0.00 C ATOM 240 O ILE A 16 170.540 2.312 -3.310 1.00 0.00 O ATOM 241 CB ILE A 16 168.102 0.410 -1.994 1.00 0.00 C ATOM 242 CG1 ILE A 16 166.783 0.438 -1.219 1.00 0.00 C ATOM 243 CG2 ILE A 16 169.278 0.210 -1.044 1.00 0.00 C ATOM 244 CD1 ILE A 16 166.537 -0.810 -0.398 1.00 0.00 C ATOM 0 H ILE A 16 166.482 1.174 -3.754 1.00 0.00 H new ATOM 0 HA ILE A 16 168.338 2.553 -2.111 1.00 0.00 H new ATOM 0 HB ILE A 16 168.080 -0.429 -2.689 1.00 0.00 H new ATOM 0 HG12 ILE A 16 166.778 1.305 -0.558 1.00 0.00 H new ATOM 0 HG13 ILE A 16 165.960 0.568 -1.922 1.00 0.00 H new ATOM 0 HG21 ILE A 16 169.140 -0.714 -0.483 1.00 0.00 H new ATOM 0 HG22 ILE A 16 170.203 0.151 -1.617 1.00 0.00 H new ATOM 0 HG23 ILE A 16 169.333 1.050 -0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 16 165.584 -0.720 0.124 1.00 0.00 H new ATOM 0 HD12 ILE A 16 166.510 -1.679 -1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 16 167.340 -0.931 0.330 1.00 0.00 H new ATOM 256 N ARG A 17 169.562 0.786 -4.642 1.00 0.00 N ATOM 257 CA ARG A 17 170.740 0.613 -5.486 1.00 0.00 C ATOM 258 C ARG A 17 171.252 1.957 -6.003 1.00 0.00 C ATOM 259 O ARG A 17 172.453 2.136 -6.202 1.00 0.00 O ATOM 260 CB ARG A 17 170.431 -0.329 -6.658 1.00 0.00 C ATOM 261 CG ARG A 17 169.573 0.295 -7.749 1.00 0.00 C ATOM 262 CD ARG A 17 170.336 0.416 -9.060 1.00 0.00 C ATOM 263 NE ARG A 17 169.444 0.375 -10.216 1.00 0.00 N ATOM 264 CZ ARG A 17 168.712 -0.686 -10.551 1.00 0.00 C ATOM 265 NH1 ARG A 17 168.768 -1.794 -9.824 1.00 0.00 N ATOM 266 NH2 ARG A 17 167.925 -0.637 -11.618 1.00 0.00 N ATOM 0 H ARG A 17 168.762 0.213 -4.910 1.00 0.00 H new ATOM 0 HA ARG A 17 171.525 0.165 -4.876 1.00 0.00 H new ATOM 0 HB2 ARG A 17 171.370 -0.665 -7.097 1.00 0.00 H new ATOM 0 HB3 ARG A 17 169.924 -1.214 -6.274 1.00 0.00 H new ATOM 0 HG2 ARG A 17 168.680 -0.311 -7.902 1.00 0.00 H new ATOM 0 HG3 ARG A 17 169.238 1.282 -7.430 1.00 0.00 H new ATOM 0 HD2 ARG A 17 170.898 1.350 -9.068 1.00 0.00 H new ATOM 0 HD3 ARG A 17 171.062 -0.393 -9.133 1.00 0.00 H new ATOM 0 HE ARG A 17 169.378 1.208 -10.801 1.00 0.00 H new ATOM 0 HH11 ARG A 17 169.374 -1.836 -9.004 1.00 0.00 H new ATOM 0 HH12 ARG A 17 168.205 -2.604 -10.085 1.00 0.00 H new ATOM 0 HH21 ARG A 17 167.881 0.213 -12.181 1.00 0.00 H new ATOM 0 HH22 ARG A 17 167.364 -1.449 -11.876 1.00 0.00 H new ATOM 280 N GLN A 18 170.336 2.898 -6.214 1.00 0.00 N ATOM 281 CA GLN A 18 170.705 4.224 -6.702 1.00 0.00 C ATOM 282 C GLN A 18 171.309 5.065 -5.581 1.00 0.00 C ATOM 283 O GLN A 18 172.268 5.807 -5.793 1.00 0.00 O ATOM 284 CB GLN A 18 169.481 4.932 -7.289 1.00 0.00 C ATOM 285 CG GLN A 18 169.698 5.450 -8.702 1.00 0.00 C ATOM 286 CD GLN A 18 169.596 4.355 -9.745 1.00 0.00 C ATOM 287 OE1 GLN A 18 170.601 3.927 -10.312 1.00 0.00 O ATOM 288 NE2 GLN A 18 168.378 3.897 -10.005 1.00 0.00 N ATOM 0 H GLN A 18 169.337 2.768 -6.056 1.00 0.00 H new ATOM 0 HA GLN A 18 171.454 4.104 -7.484 1.00 0.00 H new ATOM 0 HB2 GLN A 18 168.638 4.242 -7.289 1.00 0.00 H new ATOM 0 HB3 GLN A 18 169.209 5.767 -6.643 1.00 0.00 H new ATOM 0 HG2 GLN A 18 168.961 6.223 -8.919 1.00 0.00 H new ATOM 0 HG3 GLN A 18 170.680 5.918 -8.767 1.00 0.00 H new ATOM 0 HE21 GLN A 18 167.573 4.281 -9.511 1.00 0.00 H new ATOM 0 HE22 GLN A 18 168.247 3.161 -10.699 1.00 0.00 H new ATOM 297 N HIS A 19 170.737 4.941 -4.389 1.00 0.00 N ATOM 298 CA HIS A 19 171.212 5.685 -3.227 1.00 0.00 C ATOM 299 C HIS A 19 172.644 5.290 -2.870 1.00 0.00 C ATOM 300 O HIS A 19 173.564 6.109 -2.941 1.00 0.00 O ATOM 301 CB HIS A 19 170.282 5.431 -2.036 1.00 0.00 C ATOM 302 CG HIS A 19 169.630 6.665 -1.501 1.00 0.00 C ATOM 303 ND1 HIS A 19 168.495 7.288 -1.877 1.00 0.00 N flip ATOM 304 CD2 HIS A 19 170.132 7.392 -0.443 1.00 0.00 C flip ATOM 305 CE1 HIS A 19 168.326 8.369 -1.049 1.00 0.00 C flip ATOM 306 NE2 HIS A 19 169.328 8.410 -0.191 1.00 0.00 N flip ATOM 0 H HIS A 19 169.942 4.331 -4.201 1.00 0.00 H new ATOM 0 HA HIS A 19 171.206 6.747 -3.471 1.00 0.00 H new ATOM 0 HB2 HIS A 19 169.508 4.724 -2.336 1.00 0.00 H new ATOM 0 HB3 HIS A 19 170.853 4.958 -1.237 1.00 0.00 H new ATOM 0 HD1 HIS A 19 167.876 7.007 -2.637 1.00 0.00 H new ATOM 0 HD2 HIS A 19 171.040 7.165 0.096 1.00 0.00 H new ATOM 0 HE1 HIS A 19 167.507 9.072 -1.092 1.00 0.00 H new ATOM 315 N VAL A 20 172.827 4.029 -2.485 1.00 0.00 N ATOM 316 CA VAL A 20 174.144 3.527 -2.117 1.00 0.00 C ATOM 317 C VAL A 20 175.148 3.727 -3.247 1.00 0.00 C ATOM 318 O VAL A 20 176.269 4.183 -3.019 1.00 0.00 O ATOM 319 CB VAL A 20 174.094 2.032 -1.739 1.00 0.00 C ATOM 320 CG1 VAL A 20 173.723 1.177 -2.942 1.00 0.00 C ATOM 321 CG2 VAL A 20 175.425 1.589 -1.151 1.00 0.00 C ATOM 0 H VAL A 20 172.079 3.338 -2.421 1.00 0.00 H new ATOM 0 HA VAL A 20 174.467 4.100 -1.248 1.00 0.00 H new ATOM 0 HB VAL A 20 173.321 1.897 -0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 20 173.695 0.128 -2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 20 172.743 1.476 -3.313 1.00 0.00 H new ATOM 0 HG13 VAL A 20 174.465 1.314 -3.728 1.00 0.00 H new ATOM 0 HG21 VAL A 20 175.373 0.532 -0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 20 176.216 1.743 -1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 20 175.640 2.174 -0.257 1.00 0.00 H new ATOM 331 N ALA A 21 174.741 3.387 -4.466 1.00 0.00 N ATOM 332 CA ALA A 21 175.609 3.535 -5.627 1.00 0.00 C ATOM 333 C ALA A 21 175.970 4.999 -5.848 1.00 0.00 C ATOM 334 O ALA A 21 177.069 5.316 -6.305 1.00 0.00 O ATOM 335 CB ALA A 21 174.941 2.961 -6.866 1.00 0.00 C ATOM 0 H ALA A 21 173.817 3.008 -4.674 1.00 0.00 H new ATOM 0 HA ALA A 21 176.528 2.980 -5.439 1.00 0.00 H new ATOM 0 HB1 ALA A 21 175.603 3.080 -7.724 1.00 0.00 H new ATOM 0 HB2 ALA A 21 174.735 1.902 -6.711 1.00 0.00 H new ATOM 0 HB3 ALA A 21 174.006 3.489 -7.053 1.00 0.00 H new ATOM 341 N ASP A 22 175.039 5.889 -5.516 1.00 0.00 N ATOM 342 CA ASP A 22 175.262 7.321 -5.674 1.00 0.00 C ATOM 343 C ASP A 22 176.482 7.770 -4.878 1.00 0.00 C ATOM 344 O ASP A 22 177.416 8.355 -5.428 1.00 0.00 O ATOM 345 CB ASP A 22 174.024 8.106 -5.233 1.00 0.00 C ATOM 346 CG ASP A 22 173.267 8.699 -6.405 1.00 0.00 C ATOM 347 OD1 ASP A 22 173.593 9.835 -6.808 1.00 0.00 O ATOM 348 OD2 ASP A 22 172.349 8.027 -6.920 1.00 0.00 O ATOM 0 H ASP A 22 174.125 5.643 -5.137 1.00 0.00 H new ATOM 0 HA ASP A 22 175.447 7.522 -6.729 1.00 0.00 H new ATOM 0 HB2 ASP A 22 173.361 7.448 -4.671 1.00 0.00 H new ATOM 0 HB3 ASP A 22 174.326 8.906 -4.557 1.00 0.00 H new ATOM 353 N ARG A 23 176.472 7.492 -3.577 1.00 0.00 N ATOM 354 CA ARG A 23 177.587 7.870 -2.719 1.00 0.00 C ATOM 355 C ARG A 23 178.844 7.090 -3.089 1.00 0.00 C ATOM 356 O ARG A 23 179.958 7.602 -2.978 1.00 0.00 O ATOM 357 CB ARG A 23 177.240 7.647 -1.243 1.00 0.00 C ATOM 358 CG ARG A 23 176.311 8.707 -0.654 1.00 0.00 C ATOM 359 CD ARG A 23 176.604 10.094 -1.205 1.00 0.00 C ATOM 360 NE ARG A 23 176.113 11.151 -0.326 1.00 0.00 N ATOM 361 CZ ARG A 23 175.513 12.260 -0.755 1.00 0.00 C ATOM 362 NH1 ARG A 23 175.335 12.474 -2.054 1.00 0.00 N ATOM 363 NH2 ARG A 23 175.094 13.166 0.119 1.00 0.00 N ATOM 0 H ARG A 23 175.711 7.011 -3.099 1.00 0.00 H new ATOM 0 HA ARG A 23 177.781 8.932 -2.871 1.00 0.00 H new ATOM 0 HB2 ARG A 23 176.772 6.668 -1.135 1.00 0.00 H new ATOM 0 HB3 ARG A 23 178.163 7.625 -0.663 1.00 0.00 H new ATOM 0 HG2 ARG A 23 175.276 8.442 -0.871 1.00 0.00 H new ATOM 0 HG3 ARG A 23 176.416 8.719 0.431 1.00 0.00 H new ATOM 0 HD2 ARG A 23 177.679 10.209 -1.343 1.00 0.00 H new ATOM 0 HD3 ARG A 23 176.144 10.198 -2.188 1.00 0.00 H new ATOM 0 HE ARG A 23 176.237 11.033 0.679 1.00 0.00 H new ATOM 0 HH11 ARG A 23 175.659 11.786 -2.733 1.00 0.00 H new ATOM 0 HH12 ARG A 23 174.874 13.327 -2.372 1.00 0.00 H new ATOM 0 HH21 ARG A 23 175.232 13.013 1.118 1.00 0.00 H new ATOM 0 HH22 ARG A 23 174.634 14.016 -0.208 1.00 0.00 H new ATOM 377 N LEU A 24 178.662 5.851 -3.540 1.00 0.00 N ATOM 378 CA LEU A 24 179.789 5.013 -3.935 1.00 0.00 C ATOM 379 C LEU A 24 180.623 5.714 -5.003 1.00 0.00 C ATOM 380 O LEU A 24 181.850 5.622 -5.010 1.00 0.00 O ATOM 381 CB LEU A 24 179.298 3.661 -4.459 1.00 0.00 C ATOM 382 CG LEU A 24 180.395 2.744 -5.009 1.00 0.00 C ATOM 383 CD1 LEU A 24 181.467 2.497 -3.957 1.00 0.00 C ATOM 384 CD2 LEU A 24 179.798 1.428 -5.488 1.00 0.00 C ATOM 0 H LEU A 24 177.749 5.408 -3.640 1.00 0.00 H new ATOM 0 HA LEU A 24 180.411 4.841 -3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 24 178.781 3.141 -3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 24 178.564 3.838 -5.246 1.00 0.00 H new ATOM 0 HG LEU A 24 180.862 3.239 -5.860 1.00 0.00 H new ATOM 0 HD11 LEU A 24 182.236 1.843 -4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 24 181.916 3.446 -3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 24 181.018 2.024 -3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 24 180.591 0.788 -5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 24 179.303 0.928 -4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 24 179.072 1.624 -6.277 1.00 0.00 H new ATOM 396 N ALA A 25 179.943 6.422 -5.900 1.00 0.00 N ATOM 397 CA ALA A 25 180.616 7.150 -6.966 1.00 0.00 C ATOM 398 C ALA A 25 181.289 8.401 -6.414 1.00 0.00 C ATOM 399 O ALA A 25 182.420 8.724 -6.781 1.00 0.00 O ATOM 400 CB ALA A 25 179.626 7.519 -8.061 1.00 0.00 C ATOM 0 H ALA A 25 178.926 6.506 -5.908 1.00 0.00 H new ATOM 0 HA ALA A 25 181.384 6.506 -7.395 1.00 0.00 H new ATOM 0 HB1 ALA A 25 180.144 8.063 -8.851 1.00 0.00 H new ATOM 0 HB2 ALA A 25 179.185 6.612 -8.474 1.00 0.00 H new ATOM 0 HB3 ALA A 25 178.839 8.147 -7.643 1.00 0.00 H new ATOM 406 N LYS A 26 180.587 9.095 -5.524 1.00 0.00 N ATOM 407 CA LYS A 26 181.116 10.308 -4.911 1.00 0.00 C ATOM 408 C LYS A 26 182.303 9.983 -4.007 1.00 0.00 C ATOM 409 O LYS A 26 183.176 10.824 -3.786 1.00 0.00 O ATOM 410 CB LYS A 26 180.026 11.015 -4.102 1.00 0.00 C ATOM 411 CG LYS A 26 178.694 11.113 -4.831 1.00 0.00 C ATOM 412 CD LYS A 26 178.339 12.554 -5.163 1.00 0.00 C ATOM 413 CE LYS A 26 177.129 13.027 -4.373 1.00 0.00 C ATOM 414 NZ LYS A 26 176.677 14.379 -4.804 1.00 0.00 N ATOM 0 H LYS A 26 179.651 8.838 -5.211 1.00 0.00 H new ATOM 0 HA LYS A 26 181.454 10.971 -5.707 1.00 0.00 H new ATOM 0 HB2 LYS A 26 179.878 10.482 -3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 26 180.367 12.019 -3.848 1.00 0.00 H new ATOM 0 HG2 LYS A 26 178.738 10.528 -5.750 1.00 0.00 H new ATOM 0 HG3 LYS A 26 177.908 10.678 -4.213 1.00 0.00 H new ATOM 0 HD2 LYS A 26 179.191 13.199 -4.946 1.00 0.00 H new ATOM 0 HD3 LYS A 26 178.135 12.643 -6.230 1.00 0.00 H new ATOM 0 HE2 LYS A 26 176.313 12.315 -4.498 1.00 0.00 H new ATOM 0 HE3 LYS A 26 177.374 13.048 -3.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 175.850 14.665 -4.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 177.446 15.064 -4.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 176.418 14.354 -5.811 1.00 0.00 H new ATOM 428 N LEU A 27 182.329 8.760 -3.486 1.00 0.00 N ATOM 429 CA LEU A 27 183.407 8.325 -2.606 1.00 0.00 C ATOM 430 C LEU A 27 184.762 8.438 -3.300 1.00 0.00 C ATOM 431 O LEU A 27 185.792 8.600 -2.648 1.00 0.00 O ATOM 432 CB LEU A 27 183.173 6.885 -2.149 1.00 0.00 C ATOM 433 CG LEU A 27 182.219 6.730 -0.963 1.00 0.00 C ATOM 434 CD1 LEU A 27 182.037 5.262 -0.613 1.00 0.00 C ATOM 435 CD2 LEU A 27 182.734 7.506 0.240 1.00 0.00 C ATOM 0 H LEU A 27 181.615 8.052 -3.659 1.00 0.00 H new ATOM 0 HA LEU A 27 183.413 8.979 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 27 182.780 6.312 -2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 27 184.133 6.443 -1.884 1.00 0.00 H new ATOM 0 HG LEU A 27 181.249 7.138 -1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 27 181.355 5.171 0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 27 181.623 4.732 -1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 27 183.002 4.828 -0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 27 182.043 7.385 1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 27 183.716 7.127 0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 27 182.812 8.563 -0.015 1.00 0.00 H new ATOM 447 N GLU A 28 184.753 8.355 -4.628 1.00 0.00 N ATOM 448 CA GLU A 28 185.983 8.454 -5.406 1.00 0.00 C ATOM 449 C GLU A 28 186.696 9.778 -5.140 1.00 0.00 C ATOM 450 O GLU A 28 187.901 9.903 -5.367 1.00 0.00 O ATOM 451 CB GLU A 28 185.673 8.318 -6.899 1.00 0.00 C ATOM 452 CG GLU A 28 186.909 8.356 -7.783 1.00 0.00 C ATOM 453 CD GLU A 28 186.636 7.847 -9.185 1.00 0.00 C ATOM 454 OE1 GLU A 28 186.549 6.613 -9.363 1.00 0.00 O ATOM 455 OE2 GLU A 28 186.507 8.681 -10.106 1.00 0.00 O ATOM 0 H GLU A 28 183.910 8.220 -5.186 1.00 0.00 H new ATOM 0 HA GLU A 28 186.644 7.643 -5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 28 185.145 7.380 -7.068 1.00 0.00 H new ATOM 0 HB3 GLU A 28 184.999 9.121 -7.196 1.00 0.00 H new ATOM 0 HG2 GLU A 28 187.281 9.379 -7.837 1.00 0.00 H new ATOM 0 HG3 GLU A 28 187.696 7.754 -7.328 1.00 0.00 H new ATOM 462 N LYS A 29 185.943 10.765 -4.663 1.00 0.00 N ATOM 463 CA LYS A 29 186.496 12.084 -4.369 1.00 0.00 C ATOM 464 C LYS A 29 187.228 12.094 -3.022 1.00 0.00 C ATOM 465 O LYS A 29 187.799 13.110 -2.626 1.00 0.00 O ATOM 466 CB LYS A 29 185.364 13.130 -4.407 1.00 0.00 C ATOM 467 CG LYS A 29 185.436 14.210 -3.332 1.00 0.00 C ATOM 468 CD LYS A 29 186.493 15.254 -3.655 1.00 0.00 C ATOM 469 CE LYS A 29 187.002 15.941 -2.396 1.00 0.00 C ATOM 470 NZ LYS A 29 185.898 16.248 -1.444 1.00 0.00 N ATOM 0 H LYS A 29 184.945 10.676 -4.471 1.00 0.00 H new ATOM 0 HA LYS A 29 187.235 12.338 -5.128 1.00 0.00 H new ATOM 0 HB2 LYS A 29 185.371 13.613 -5.384 1.00 0.00 H new ATOM 0 HB3 LYS A 29 184.410 12.612 -4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 29 184.464 14.694 -3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 29 185.660 13.751 -2.369 1.00 0.00 H new ATOM 0 HD2 LYS A 29 187.326 14.781 -4.175 1.00 0.00 H new ATOM 0 HD3 LYS A 29 186.075 15.998 -4.333 1.00 0.00 H new ATOM 0 HE2 LYS A 29 187.737 15.302 -1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 29 187.514 16.864 -2.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 186.222 16.954 -0.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 185.083 16.626 -1.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 185.617 15.379 -0.946 1.00 0.00 H new ATOM 484 N TRP A 30 187.216 10.962 -2.320 1.00 0.00 N ATOM 485 CA TRP A 30 187.885 10.863 -1.026 1.00 0.00 C ATOM 486 C TRP A 30 189.327 10.381 -1.177 1.00 0.00 C ATOM 487 O TRP A 30 189.900 9.811 -0.250 1.00 0.00 O ATOM 488 CB TRP A 30 187.119 9.917 -0.100 1.00 0.00 C ATOM 489 CG TRP A 30 186.043 10.595 0.694 1.00 0.00 C ATOM 490 CD1 TRP A 30 184.714 10.652 0.390 1.00 0.00 C ATOM 491 CD2 TRP A 30 186.205 11.311 1.923 1.00 0.00 C ATOM 492 NE1 TRP A 30 184.039 11.359 1.354 1.00 0.00 N ATOM 493 CE2 TRP A 30 184.932 11.774 2.306 1.00 0.00 C ATOM 494 CE3 TRP A 30 187.302 11.606 2.738 1.00 0.00 C ATOM 495 CZ2 TRP A 30 184.727 12.515 3.469 1.00 0.00 C ATOM 496 CZ3 TRP A 30 187.097 12.341 3.890 1.00 0.00 C ATOM 497 CH2 TRP A 30 185.819 12.788 4.247 1.00 0.00 C ATOM 0 H TRP A 30 186.753 10.106 -2.624 1.00 0.00 H new ATOM 0 HA TRP A 30 187.903 11.861 -0.589 1.00 0.00 H new ATOM 0 HB2 TRP A 30 186.672 9.121 -0.696 1.00 0.00 H new ATOM 0 HB3 TRP A 30 187.822 9.445 0.586 1.00 0.00 H new ATOM 0 HD1 TRP A 30 184.259 10.206 -0.482 1.00 0.00 H new ATOM 0 HE1 TRP A 30 183.036 11.545 1.360 1.00 0.00 H new ATOM 0 HE3 TRP A 30 188.292 11.266 2.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 183.742 12.861 3.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 187.938 12.575 4.526 1.00 0.00 H new ATOM 0 HH2 TRP A 30 185.693 13.360 5.155 1.00 0.00 H new ATOM 508 N GLN A 31 189.913 10.609 -2.351 1.00 0.00 N ATOM 509 CA GLN A 31 191.291 10.198 -2.617 1.00 0.00 C ATOM 510 C GLN A 31 191.452 8.674 -2.616 1.00 0.00 C ATOM 511 O GLN A 31 192.536 8.164 -2.901 1.00 0.00 O ATOM 512 CB GLN A 31 192.237 10.820 -1.584 1.00 0.00 C ATOM 513 CG GLN A 31 193.067 11.967 -2.134 1.00 0.00 C ATOM 514 CD GLN A 31 193.716 12.796 -1.042 1.00 0.00 C ATOM 515 OE1 GLN A 31 193.685 14.026 -1.080 1.00 0.00 O ATOM 516 NE2 GLN A 31 194.309 12.126 -0.062 1.00 0.00 N ATOM 0 H GLN A 31 189.455 11.076 -3.134 1.00 0.00 H new ATOM 0 HA GLN A 31 191.547 10.556 -3.614 1.00 0.00 H new ATOM 0 HB2 GLN A 31 191.652 11.179 -0.737 1.00 0.00 H new ATOM 0 HB3 GLN A 31 192.906 10.048 -1.204 1.00 0.00 H new ATOM 0 HG2 GLN A 31 193.841 11.568 -2.790 1.00 0.00 H new ATOM 0 HG3 GLN A 31 192.432 12.610 -2.744 1.00 0.00 H new ATOM 0 HE21 GLN A 31 194.311 11.106 -0.070 1.00 0.00 H new ATOM 0 HE22 GLN A 31 194.763 12.631 0.699 1.00 0.00 H new ATOM 525 N THR A 32 190.383 7.948 -2.298 1.00 0.00 N ATOM 526 CA THR A 32 190.438 6.490 -2.270 1.00 0.00 C ATOM 527 C THR A 32 190.093 5.910 -3.638 1.00 0.00 C ATOM 528 O THR A 32 189.836 6.648 -4.589 1.00 0.00 O ATOM 529 CB THR A 32 189.482 5.938 -1.213 1.00 0.00 C ATOM 530 OG1 THR A 32 189.518 4.522 -1.195 1.00 0.00 O ATOM 531 CG2 THR A 32 188.045 6.357 -1.428 1.00 0.00 C ATOM 0 H THR A 32 189.474 8.343 -2.058 1.00 0.00 H new ATOM 0 HA THR A 32 191.455 6.195 -2.013 1.00 0.00 H new ATOM 0 HB THR A 32 189.827 6.354 -0.267 1.00 0.00 H new ATOM 0 HG1 THR A 32 190.442 4.220 -1.068 1.00 0.00 H new ATOM 0 HG21 THR A 32 187.420 5.931 -0.643 1.00 0.00 H new ATOM 0 HG22 THR A 32 187.975 7.444 -1.398 1.00 0.00 H new ATOM 0 HG23 THR A 32 187.703 5.998 -2.399 1.00 0.00 H new ATOM 539 N HIS A 33 190.098 4.584 -3.733 1.00 0.00 N ATOM 540 CA HIS A 33 189.790 3.908 -4.991 1.00 0.00 C ATOM 541 C HIS A 33 188.692 2.857 -4.814 1.00 0.00 C ATOM 542 O HIS A 33 188.093 2.412 -5.792 1.00 0.00 O ATOM 543 CB HIS A 33 191.046 3.252 -5.582 1.00 0.00 C ATOM 544 CG HIS A 33 192.259 3.338 -4.707 1.00 0.00 C ATOM 545 ND1 HIS A 33 192.456 2.956 -3.422 1.00 0.00 N flip ATOM 546 CD2 HIS A 33 193.458 3.869 -5.134 1.00 0.00 C flip ATOM 547 CE1 HIS A 33 193.757 3.261 -3.102 1.00 0.00 C flip ATOM 548 NE2 HIS A 33 194.339 3.809 -4.151 1.00 0.00 N flip ATOM 0 H HIS A 33 190.311 3.957 -2.957 1.00 0.00 H new ATOM 0 HA HIS A 33 189.426 4.669 -5.682 1.00 0.00 H new ATOM 0 HB2 HIS A 33 190.832 2.202 -5.784 1.00 0.00 H new ATOM 0 HB3 HIS A 33 191.270 3.722 -6.540 1.00 0.00 H new ATOM 0 HD2 HIS A 33 193.647 4.271 -6.118 1.00 0.00 H new ATOM 0 HE1 HIS A 33 194.227 3.081 -2.146 1.00 0.00 H new ATOM 0 HE2 HIS A 33 195.306 4.132 -4.196 1.00 0.00 H new ATOM 557 N LEU A 34 188.433 2.458 -3.570 1.00 0.00 N ATOM 558 CA LEU A 34 187.408 1.455 -3.286 1.00 0.00 C ATOM 559 C LEU A 34 187.589 0.230 -4.175 1.00 0.00 C ATOM 560 O LEU A 34 187.093 0.187 -5.301 1.00 0.00 O ATOM 561 CB LEU A 34 186.009 2.046 -3.479 1.00 0.00 C ATOM 562 CG LEU A 34 185.802 3.443 -2.884 1.00 0.00 C ATOM 563 CD1 LEU A 34 186.350 3.513 -1.466 1.00 0.00 C ATOM 564 CD2 LEU A 34 186.463 4.494 -3.760 1.00 0.00 C ATOM 0 H LEU A 34 188.917 2.812 -2.745 1.00 0.00 H new ATOM 0 HA LEU A 34 187.516 1.146 -2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 34 185.794 2.088 -4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 34 185.281 1.368 -3.034 1.00 0.00 H new ATOM 0 HG LEU A 34 184.731 3.643 -2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 34 186.192 4.514 -1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 34 185.834 2.785 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 34 187.417 3.291 -1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 34 186.307 5.481 -3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 34 187.532 4.292 -3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 34 186.025 4.464 -4.757 1.00 0.00 H new ATOM 576 N ILE A 35 188.314 -0.755 -3.663 1.00 0.00 N ATOM 577 CA ILE A 35 188.582 -1.980 -4.406 1.00 0.00 C ATOM 578 C ILE A 35 187.408 -2.952 -4.340 1.00 0.00 C ATOM 579 O ILE A 35 186.786 -3.259 -5.357 1.00 0.00 O ATOM 580 CB ILE A 35 189.843 -2.693 -3.878 1.00 0.00 C ATOM 581 CG1 ILE A 35 190.971 -1.685 -3.642 1.00 0.00 C ATOM 582 CG2 ILE A 35 190.285 -3.778 -4.852 1.00 0.00 C ATOM 583 CD1 ILE A 35 191.480 -1.036 -4.911 1.00 0.00 C ATOM 0 H ILE A 35 188.729 -0.730 -2.732 1.00 0.00 H new ATOM 0 HA ILE A 35 188.739 -1.680 -5.442 1.00 0.00 H new ATOM 0 HB ILE A 35 189.602 -3.164 -2.925 1.00 0.00 H new ATOM 0 HG12 ILE A 35 190.617 -0.909 -2.964 1.00 0.00 H new ATOM 0 HG13 ILE A 35 191.799 -2.189 -3.144 1.00 0.00 H new ATOM 0 HG21 ILE A 35 191.176 -4.273 -4.466 1.00 0.00 H new ATOM 0 HG22 ILE A 35 189.486 -4.510 -4.969 1.00 0.00 H new ATOM 0 HG23 ILE A 35 190.510 -3.329 -5.819 1.00 0.00 H new ATOM 0 HD11 ILE A 35 192.277 -0.334 -4.666 1.00 0.00 H new ATOM 0 HD12 ILE A 35 191.865 -1.803 -5.583 1.00 0.00 H new ATOM 0 HD13 ILE A 35 190.664 -0.502 -5.399 1.00 0.00 H new ATOM 595 N ASN A 36 187.119 -3.448 -3.140 1.00 0.00 N ATOM 596 CA ASN A 36 186.031 -4.401 -2.949 1.00 0.00 C ATOM 597 C ASN A 36 184.859 -3.774 -2.196 1.00 0.00 C ATOM 598 O ASN A 36 184.712 -3.970 -0.990 1.00 0.00 O ATOM 599 CB ASN A 36 186.538 -5.628 -2.193 1.00 0.00 C ATOM 600 CG ASN A 36 187.040 -6.715 -3.123 1.00 0.00 C ATOM 601 OD1 ASN A 36 186.547 -6.869 -4.241 1.00 0.00 O ATOM 602 ND2 ASN A 36 188.026 -7.477 -2.663 1.00 0.00 N ATOM 0 H ASN A 36 187.623 -3.206 -2.287 1.00 0.00 H new ATOM 0 HA ASN A 36 185.674 -4.701 -3.934 1.00 0.00 H new ATOM 0 HB2 ASN A 36 187.342 -5.330 -1.520 1.00 0.00 H new ATOM 0 HB3 ASN A 36 185.735 -6.027 -1.573 1.00 0.00 H new ATOM 0 HD21 ASN A 36 188.405 -8.226 -3.243 1.00 0.00 H new ATOM 0 HD22 ASN A 36 188.404 -7.313 -1.730 1.00 0.00 H new ATOM 609 N PRO A 37 184.002 -3.017 -2.900 1.00 0.00 N ATOM 610 CA PRO A 37 182.835 -2.372 -2.292 1.00 0.00 C ATOM 611 C PRO A 37 181.738 -3.375 -1.946 1.00 0.00 C ATOM 612 O PRO A 37 181.082 -3.923 -2.832 1.00 0.00 O ATOM 613 CB PRO A 37 182.356 -1.411 -3.380 1.00 0.00 C ATOM 614 CG PRO A 37 182.802 -2.038 -4.656 1.00 0.00 C ATOM 615 CD PRO A 37 184.099 -2.736 -4.346 1.00 0.00 C ATOM 0 HA PRO A 37 183.082 -1.882 -1.350 1.00 0.00 H new ATOM 0 HB2 PRO A 37 181.273 -1.291 -3.354 1.00 0.00 H new ATOM 0 HB3 PRO A 37 182.790 -0.419 -3.252 1.00 0.00 H new ATOM 0 HG2 PRO A 37 182.058 -2.744 -5.025 1.00 0.00 H new ATOM 0 HG3 PRO A 37 182.940 -1.286 -5.433 1.00 0.00 H new ATOM 0 HD2 PRO A 37 184.211 -3.652 -4.926 1.00 0.00 H new ATOM 0 HD3 PRO A 37 184.959 -2.106 -4.576 1.00 0.00 H new ATOM 623 N HIS A 38 181.546 -3.611 -0.652 1.00 0.00 N ATOM 624 CA HIS A 38 180.529 -4.550 -0.188 1.00 0.00 C ATOM 625 C HIS A 38 179.269 -3.813 0.253 1.00 0.00 C ATOM 626 O HIS A 38 179.343 -2.752 0.871 1.00 0.00 O ATOM 627 CB HIS A 38 181.075 -5.391 0.970 1.00 0.00 C ATOM 628 CG HIS A 38 181.001 -6.866 0.727 1.00 0.00 C ATOM 629 ND1 HIS A 38 182.107 -7.637 0.437 1.00 0.00 N ATOM 630 CD2 HIS A 38 179.946 -7.714 0.733 1.00 0.00 C ATOM 631 CE1 HIS A 38 181.735 -8.893 0.275 1.00 0.00 C ATOM 632 NE2 HIS A 38 180.428 -8.967 0.450 1.00 0.00 N ATOM 0 H HIS A 38 182.081 -3.166 0.094 1.00 0.00 H new ATOM 0 HA HIS A 38 180.270 -5.208 -1.017 1.00 0.00 H new ATOM 0 HB2 HIS A 38 182.113 -5.113 1.152 1.00 0.00 H new ATOM 0 HB3 HIS A 38 180.518 -5.152 1.876 1.00 0.00 H new ATOM 0 HD1 HIS A 38 183.063 -7.291 0.360 1.00 0.00 H new ATOM 0 HD2 HIS A 38 178.916 -7.453 0.925 1.00 0.00 H new ATOM 0 HE1 HIS A 38 182.389 -9.720 0.039 1.00 0.00 H new ATOM 641 N ILE A 39 178.113 -4.383 -0.068 1.00 0.00 N ATOM 642 CA ILE A 39 176.835 -3.782 0.297 1.00 0.00 C ATOM 643 C ILE A 39 175.832 -4.843 0.740 1.00 0.00 C ATOM 644 O ILE A 39 175.290 -5.580 -0.083 1.00 0.00 O ATOM 645 CB ILE A 39 176.233 -2.984 -0.876 1.00 0.00 C ATOM 646 CG1 ILE A 39 177.288 -2.058 -1.487 1.00 0.00 C ATOM 647 CG2 ILE A 39 175.022 -2.188 -0.414 1.00 0.00 C ATOM 648 CD1 ILE A 39 177.682 -0.909 -0.585 1.00 0.00 C ATOM 0 H ILE A 39 178.034 -5.261 -0.581 1.00 0.00 H new ATOM 0 HA ILE A 39 177.033 -3.103 1.127 1.00 0.00 H new ATOM 0 HB ILE A 39 175.907 -3.687 -1.643 1.00 0.00 H new ATOM 0 HG12 ILE A 39 178.177 -2.642 -1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 39 176.907 -1.657 -2.426 1.00 0.00 H new ATOM 0 HG21 ILE A 39 174.610 -1.631 -1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 39 174.265 -2.869 -0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 39 175.321 -1.492 0.370 1.00 0.00 H new ATOM 0 HD11 ILE A 39 178.433 -0.296 -1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 39 176.804 -0.301 -0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 39 178.093 -1.301 0.345 1.00 0.00 H new ATOM 660 N ILE A 40 175.589 -4.915 2.045 1.00 0.00 N ATOM 661 CA ILE A 40 174.650 -5.884 2.596 1.00 0.00 C ATOM 662 C ILE A 40 173.335 -5.216 2.983 1.00 0.00 C ATOM 663 O ILE A 40 173.229 -4.597 4.043 1.00 0.00 O ATOM 664 CB ILE A 40 175.234 -6.597 3.830 1.00 0.00 C ATOM 665 CG1 ILE A 40 176.643 -7.113 3.527 1.00 0.00 C ATOM 666 CG2 ILE A 40 174.324 -7.738 4.267 1.00 0.00 C ATOM 667 CD1 ILE A 40 177.311 -7.783 4.707 1.00 0.00 C ATOM 0 H ILE A 40 176.030 -4.313 2.740 1.00 0.00 H new ATOM 0 HA ILE A 40 174.464 -6.622 1.816 1.00 0.00 H new ATOM 0 HB ILE A 40 175.298 -5.881 4.649 1.00 0.00 H new ATOM 0 HG12 ILE A 40 176.591 -7.821 2.700 1.00 0.00 H new ATOM 0 HG13 ILE A 40 177.262 -6.280 3.195 1.00 0.00 H new ATOM 0 HG21 ILE A 40 174.752 -8.231 5.140 1.00 0.00 H new ATOM 0 HG22 ILE A 40 173.340 -7.342 4.519 1.00 0.00 H new ATOM 0 HG23 ILE A 40 174.228 -8.458 3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 40 178.305 -8.123 4.417 1.00 0.00 H new ATOM 0 HD12 ILE A 40 177.396 -7.072 5.529 1.00 0.00 H new ATOM 0 HD13 ILE A 40 176.714 -8.637 5.026 1.00 0.00 H new ATOM 679 N LEU A 41 172.335 -5.346 2.118 1.00 0.00 N ATOM 680 CA LEU A 41 171.024 -4.756 2.366 1.00 0.00 C ATOM 681 C LEU A 41 170.018 -5.830 2.779 1.00 0.00 C ATOM 682 O LEU A 41 169.483 -6.546 1.934 1.00 0.00 O ATOM 683 CB LEU A 41 170.532 -4.026 1.112 1.00 0.00 C ATOM 684 CG LEU A 41 169.067 -3.580 1.139 1.00 0.00 C ATOM 685 CD1 LEU A 41 168.965 -2.101 1.483 1.00 0.00 C ATOM 686 CD2 LEU A 41 168.399 -3.870 -0.197 1.00 0.00 C ATOM 0 H LEU A 41 172.407 -5.856 1.237 1.00 0.00 H new ATOM 0 HA LEU A 41 171.116 -4.039 3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 41 171.158 -3.147 0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 41 170.679 -4.679 0.252 1.00 0.00 H new ATOM 0 HG LEU A 41 168.547 -4.146 1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 41 167.917 -1.802 1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 41 169.406 -1.924 2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 41 169.499 -1.516 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 41 167.359 -3.547 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 41 168.919 -3.331 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 41 168.440 -4.940 -0.400 1.00 0.00 H new ATOM 698 N SER A 42 169.765 -5.934 4.078 1.00 0.00 N ATOM 699 CA SER A 42 168.822 -6.922 4.589 1.00 0.00 C ATOM 700 C SER A 42 167.570 -6.249 5.143 1.00 0.00 C ATOM 701 O SER A 42 167.550 -5.038 5.367 1.00 0.00 O ATOM 702 CB SER A 42 169.479 -7.774 5.675 1.00 0.00 C ATOM 703 OG SER A 42 170.832 -8.055 5.354 1.00 0.00 O ATOM 0 H SER A 42 170.197 -5.350 4.794 1.00 0.00 H new ATOM 0 HA SER A 42 168.529 -7.566 3.760 1.00 0.00 H new ATOM 0 HB2 SER A 42 169.429 -7.252 6.631 1.00 0.00 H new ATOM 0 HB3 SER A 42 168.928 -8.707 5.792 1.00 0.00 H new ATOM 0 HG SER A 42 171.316 -8.308 6.168 1.00 0.00 H new ATOM 709 N LYS A 43 166.524 -7.042 5.355 1.00 0.00 N ATOM 710 CA LYS A 43 165.265 -6.525 5.878 1.00 0.00 C ATOM 711 C LYS A 43 165.055 -6.963 7.326 1.00 0.00 C ATOM 712 O LYS A 43 164.783 -8.131 7.599 1.00 0.00 O ATOM 713 CB LYS A 43 164.098 -7.002 5.007 1.00 0.00 C ATOM 714 CG LYS A 43 162.728 -6.644 5.563 1.00 0.00 C ATOM 715 CD LYS A 43 162.034 -7.858 6.160 1.00 0.00 C ATOM 716 CE LYS A 43 160.539 -7.629 6.313 1.00 0.00 C ATOM 717 NZ LYS A 43 159.747 -8.514 5.415 1.00 0.00 N ATOM 0 H LYS A 43 166.524 -8.046 5.172 1.00 0.00 H new ATOM 0 HA LYS A 43 165.306 -5.436 5.854 1.00 0.00 H new ATOM 0 HB2 LYS A 43 164.200 -6.570 4.012 1.00 0.00 H new ATOM 0 HB3 LYS A 43 164.161 -8.084 4.892 1.00 0.00 H new ATOM 0 HG2 LYS A 43 162.834 -5.873 6.326 1.00 0.00 H new ATOM 0 HG3 LYS A 43 162.110 -6.224 4.769 1.00 0.00 H new ATOM 0 HD2 LYS A 43 162.206 -8.726 5.524 1.00 0.00 H new ATOM 0 HD3 LYS A 43 162.469 -8.085 7.133 1.00 0.00 H new ATOM 0 HE2 LYS A 43 160.248 -7.808 7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 43 160.307 -6.587 6.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 158.733 -8.327 5.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 160.006 -8.325 4.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 159.949 -9.509 5.642 1.00 0.00 H new ATOM 731 N GLU A 44 165.184 -6.015 8.249 1.00 0.00 N ATOM 732 CA GLU A 44 165.010 -6.303 9.668 1.00 0.00 C ATOM 733 C GLU A 44 163.668 -5.785 10.178 1.00 0.00 C ATOM 734 O GLU A 44 163.161 -4.769 9.704 1.00 0.00 O ATOM 735 CB GLU A 44 166.146 -5.678 10.482 1.00 0.00 C ATOM 736 CG GLU A 44 167.183 -6.687 10.949 1.00 0.00 C ATOM 737 CD GLU A 44 168.263 -6.059 11.808 1.00 0.00 C ATOM 738 OE1 GLU A 44 168.076 -4.907 12.254 1.00 0.00 O ATOM 739 OE2 GLU A 44 169.299 -6.719 12.037 1.00 0.00 O ATOM 0 H GLU A 44 165.408 -5.042 8.040 1.00 0.00 H new ATOM 0 HA GLU A 44 165.031 -7.386 9.791 1.00 0.00 H new ATOM 0 HB2 GLU A 44 166.638 -4.916 9.878 1.00 0.00 H new ATOM 0 HB3 GLU A 44 165.725 -5.173 11.351 1.00 0.00 H new ATOM 0 HG2 GLU A 44 166.688 -7.476 11.514 1.00 0.00 H new ATOM 0 HG3 GLU A 44 167.643 -7.158 10.080 1.00 0.00 H new ATOM 746 N PRO A 45 163.076 -6.485 11.164 1.00 0.00 N ATOM 747 CA PRO A 45 161.795 -6.113 11.760 1.00 0.00 C ATOM 748 C PRO A 45 161.649 -4.610 11.963 1.00 0.00 C ATOM 749 O PRO A 45 160.639 -4.015 11.588 1.00 0.00 O ATOM 750 CB PRO A 45 161.812 -6.810 13.131 1.00 0.00 C ATOM 751 CG PRO A 45 163.059 -7.642 13.178 1.00 0.00 C ATOM 752 CD PRO A 45 163.610 -7.701 11.780 1.00 0.00 C ATOM 0 HA PRO A 45 160.966 -6.405 11.115 1.00 0.00 H new ATOM 0 HB2 PRO A 45 161.806 -6.077 13.938 1.00 0.00 H new ATOM 0 HB3 PRO A 45 160.927 -7.433 13.259 1.00 0.00 H new ATOM 0 HG2 PRO A 45 163.788 -7.204 13.860 1.00 0.00 H new ATOM 0 HG3 PRO A 45 162.839 -8.644 13.547 1.00 0.00 H new ATOM 0 HD2 PRO A 45 164.700 -7.710 11.776 1.00 0.00 H new ATOM 0 HD3 PRO A 45 163.282 -8.598 11.254 1.00 0.00 H new ATOM 760 N GLN A 46 162.649 -4.017 12.599 1.00 0.00 N ATOM 761 CA GLN A 46 162.625 -2.596 12.900 1.00 0.00 C ATOM 762 C GLN A 46 163.490 -1.782 11.938 1.00 0.00 C ATOM 763 O GLN A 46 164.285 -0.945 12.364 1.00 0.00 O ATOM 764 CB GLN A 46 163.090 -2.381 14.340 1.00 0.00 C ATOM 765 CG GLN A 46 162.484 -1.154 15.001 1.00 0.00 C ATOM 766 CD GLN A 46 160.968 -1.149 14.951 1.00 0.00 C ATOM 767 OE1 GLN A 46 160.349 -0.130 14.646 1.00 0.00 O ATOM 768 NE2 GLN A 46 160.362 -2.292 15.253 1.00 0.00 N ATOM 0 H GLN A 46 163.489 -4.501 12.917 1.00 0.00 H new ATOM 0 HA GLN A 46 161.601 -2.244 12.778 1.00 0.00 H new ATOM 0 HB2 GLN A 46 162.837 -3.262 14.929 1.00 0.00 H new ATOM 0 HB3 GLN A 46 164.176 -2.290 14.352 1.00 0.00 H new ATOM 0 HG2 GLN A 46 162.809 -1.109 16.040 1.00 0.00 H new ATOM 0 HG3 GLN A 46 162.862 -0.258 14.509 1.00 0.00 H new ATOM 0 HE21 GLN A 46 160.915 -3.113 15.500 1.00 0.00 H new ATOM 0 HE22 GLN A 46 159.344 -2.349 15.238 1.00 0.00 H new ATOM 777 N GLY A 47 163.315 -2.012 10.638 1.00 0.00 N ATOM 778 CA GLY A 47 164.076 -1.264 9.651 1.00 0.00 C ATOM 779 C GLY A 47 165.036 -2.114 8.838 1.00 0.00 C ATOM 780 O GLY A 47 165.233 -3.296 9.121 1.00 0.00 O ATOM 0 H GLY A 47 162.665 -2.697 10.253 1.00 0.00 H new ATOM 0 HA2 GLY A 47 163.382 -0.768 8.972 1.00 0.00 H new ATOM 0 HA3 GLY A 47 164.640 -0.482 10.159 1.00 0.00 H new ATOM 784 N PHE A 48 165.636 -1.493 7.823 1.00 0.00 N ATOM 785 CA PHE A 48 166.589 -2.171 6.949 1.00 0.00 C ATOM 786 C PHE A 48 167.969 -2.228 7.593 1.00 0.00 C ATOM 787 O PHE A 48 168.327 -1.356 8.389 1.00 0.00 O ATOM 788 CB PHE A 48 166.700 -1.438 5.606 1.00 0.00 C ATOM 789 CG PHE A 48 165.574 -1.702 4.642 1.00 0.00 C ATOM 790 CD1 PHE A 48 164.802 -2.851 4.731 1.00 0.00 C ATOM 791 CD2 PHE A 48 165.295 -0.793 3.635 1.00 0.00 C ATOM 792 CE1 PHE A 48 163.777 -3.085 3.834 1.00 0.00 C ATOM 793 CE2 PHE A 48 164.272 -1.020 2.736 1.00 0.00 C ATOM 794 CZ PHE A 48 163.512 -2.167 2.835 1.00 0.00 C ATOM 0 H PHE A 48 165.476 -0.514 7.586 1.00 0.00 H new ATOM 0 HA PHE A 48 166.224 -3.185 6.786 1.00 0.00 H new ATOM 0 HB2 PHE A 48 166.751 -0.366 5.797 1.00 0.00 H new ATOM 0 HB3 PHE A 48 167.639 -1.722 5.131 1.00 0.00 H new ATOM 0 HD1 PHE A 48 165.004 -3.571 5.510 1.00 0.00 H new ATOM 0 HD2 PHE A 48 165.886 0.107 3.552 1.00 0.00 H new ATOM 0 HE1 PHE A 48 163.184 -3.984 3.913 1.00 0.00 H new ATOM 0 HE2 PHE A 48 164.067 -0.301 1.957 1.00 0.00 H new ATOM 0 HZ PHE A 48 162.711 -2.347 2.133 1.00 0.00 H new ATOM 804 N VAL A 49 168.737 -3.257 7.241 1.00 0.00 N ATOM 805 CA VAL A 49 170.086 -3.437 7.774 1.00 0.00 C ATOM 806 C VAL A 49 171.126 -3.214 6.686 1.00 0.00 C ATOM 807 O VAL A 49 171.645 -4.165 6.100 1.00 0.00 O ATOM 808 CB VAL A 49 170.290 -4.843 8.376 1.00 0.00 C ATOM 809 CG1 VAL A 49 171.142 -4.769 9.634 1.00 0.00 C ATOM 810 CG2 VAL A 49 168.955 -5.495 8.678 1.00 0.00 C ATOM 0 H VAL A 49 168.446 -3.982 6.586 1.00 0.00 H new ATOM 0 HA VAL A 49 170.209 -2.699 8.567 1.00 0.00 H new ATOM 0 HB VAL A 49 170.813 -5.455 7.641 1.00 0.00 H new ATOM 0 HG11 VAL A 49 171.274 -5.771 10.043 1.00 0.00 H new ATOM 0 HG12 VAL A 49 172.116 -4.345 9.389 1.00 0.00 H new ATOM 0 HG13 VAL A 49 170.647 -4.138 10.372 1.00 0.00 H new ATOM 0 HG21 VAL A 49 169.121 -6.485 9.102 1.00 0.00 H new ATOM 0 HG22 VAL A 49 168.404 -4.883 9.392 1.00 0.00 H new ATOM 0 HG23 VAL A 49 168.378 -5.586 7.758 1.00 0.00 H new ATOM 820 N ALA A 50 171.414 -1.954 6.412 1.00 0.00 N ATOM 821 CA ALA A 50 172.386 -1.601 5.384 1.00 0.00 C ATOM 822 C ALA A 50 173.814 -1.749 5.897 1.00 0.00 C ATOM 823 O ALA A 50 174.364 -0.830 6.503 1.00 0.00 O ATOM 824 CB ALA A 50 172.142 -0.184 4.895 1.00 0.00 C ATOM 0 H ALA A 50 170.990 -1.156 6.885 1.00 0.00 H new ATOM 0 HA ALA A 50 172.259 -2.290 4.549 1.00 0.00 H new ATOM 0 HB1 ALA A 50 172.874 0.067 4.128 1.00 0.00 H new ATOM 0 HB2 ALA A 50 171.138 -0.111 4.476 1.00 0.00 H new ATOM 0 HB3 ALA A 50 172.238 0.511 5.730 1.00 0.00 H new ATOM 830 N ASP A 51 174.410 -2.912 5.654 1.00 0.00 N ATOM 831 CA ASP A 51 175.775 -3.179 6.094 1.00 0.00 C ATOM 832 C ASP A 51 176.731 -3.260 4.907 1.00 0.00 C ATOM 833 O ASP A 51 176.824 -4.292 4.244 1.00 0.00 O ATOM 834 CB ASP A 51 175.825 -4.485 6.890 1.00 0.00 C ATOM 835 CG ASP A 51 175.815 -4.248 8.386 1.00 0.00 C ATOM 836 OD1 ASP A 51 176.610 -3.409 8.858 1.00 0.00 O ATOM 837 OD2 ASP A 51 175.012 -4.900 9.085 1.00 0.00 O ATOM 0 H ASP A 51 173.969 -3.685 5.155 1.00 0.00 H new ATOM 0 HA ASP A 51 176.091 -2.354 6.732 1.00 0.00 H new ATOM 0 HB2 ASP A 51 174.972 -5.107 6.617 1.00 0.00 H new ATOM 0 HB3 ASP A 51 176.723 -5.039 6.618 1.00 0.00 H new ATOM 842 N ALA A 52 177.443 -2.169 4.647 1.00 0.00 N ATOM 843 CA ALA A 52 178.392 -2.125 3.541 1.00 0.00 C ATOM 844 C ALA A 52 179.815 -2.385 4.023 1.00 0.00 C ATOM 845 O ALA A 52 180.064 -2.498 5.223 1.00 0.00 O ATOM 846 CB ALA A 52 178.311 -0.782 2.831 1.00 0.00 C ATOM 0 H ALA A 52 177.381 -1.305 5.186 1.00 0.00 H new ATOM 0 HA ALA A 52 178.127 -2.914 2.838 1.00 0.00 H new ATOM 0 HB1 ALA A 52 179.025 -0.762 2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 52 177.303 -0.636 2.442 1.00 0.00 H new ATOM 0 HB3 ALA A 52 178.547 0.016 3.535 1.00 0.00 H new ATOM 852 N THR A 53 180.746 -2.482 3.078 1.00 0.00 N ATOM 853 CA THR A 53 182.148 -2.730 3.401 1.00 0.00 C ATOM 854 C THR A 53 183.043 -2.401 2.208 1.00 0.00 C ATOM 855 O THR A 53 183.168 -3.194 1.277 1.00 0.00 O ATOM 856 CB THR A 53 182.350 -4.189 3.820 1.00 0.00 C ATOM 857 OG1 THR A 53 181.104 -4.829 4.032 1.00 0.00 O ATOM 858 CG2 THR A 53 183.167 -4.341 5.087 1.00 0.00 C ATOM 0 H THR A 53 180.554 -2.392 2.080 1.00 0.00 H new ATOM 0 HA THR A 53 182.425 -2.082 4.233 1.00 0.00 H new ATOM 0 HB THR A 53 182.895 -4.652 2.997 1.00 0.00 H new ATOM 0 HG1 THR A 53 181.255 -5.760 4.297 1.00 0.00 H new ATOM 0 HG21 THR A 53 183.272 -5.399 5.327 1.00 0.00 H new ATOM 0 HG22 THR A 53 184.154 -3.903 4.938 1.00 0.00 H new ATOM 0 HG23 THR A 53 182.663 -3.831 5.908 1.00 0.00 H new ATOM 866 N ILE A 54 183.663 -1.225 2.241 1.00 0.00 N ATOM 867 CA ILE A 54 184.543 -0.798 1.155 1.00 0.00 C ATOM 868 C ILE A 54 186.009 -1.019 1.516 1.00 0.00 C ATOM 869 O ILE A 54 186.479 -0.551 2.553 1.00 0.00 O ATOM 870 CB ILE A 54 184.333 0.691 0.789 1.00 0.00 C ATOM 871 CG1 ILE A 54 183.018 1.221 1.371 1.00 0.00 C ATOM 872 CG2 ILE A 54 184.355 0.864 -0.723 1.00 0.00 C ATOM 873 CD1 ILE A 54 182.716 2.653 0.988 1.00 0.00 C ATOM 0 H ILE A 54 183.574 -0.553 3.003 1.00 0.00 H new ATOM 0 HA ILE A 54 184.284 -1.409 0.290 1.00 0.00 H new ATOM 0 HB ILE A 54 185.148 1.270 1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 54 182.200 0.584 1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 54 183.055 1.145 2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 54 184.206 1.915 -0.971 1.00 0.00 H new ATOM 0 HG22 ILE A 54 185.317 0.531 -1.113 1.00 0.00 H new ATOM 0 HG23 ILE A 54 183.557 0.270 -1.169 1.00 0.00 H new ATOM 0 HD11 ILE A 54 181.770 2.958 1.436 1.00 0.00 H new ATOM 0 HD12 ILE A 54 183.514 3.302 1.348 1.00 0.00 H new ATOM 0 HD13 ILE A 54 182.645 2.732 -0.097 1.00 0.00 H new ATOM 885 N ASN A 55 186.722 -1.736 0.655 1.00 0.00 N ATOM 886 CA ASN A 55 188.134 -2.026 0.881 1.00 0.00 C ATOM 887 C ASN A 55 189.015 -0.859 0.440 1.00 0.00 C ATOM 888 O ASN A 55 189.357 -0.737 -0.736 1.00 0.00 O ATOM 889 CB ASN A 55 188.540 -3.297 0.131 1.00 0.00 C ATOM 890 CG ASN A 55 189.224 -4.308 1.031 1.00 0.00 C ATOM 891 OD1 ASN A 55 188.783 -5.452 1.147 1.00 0.00 O ATOM 892 ND2 ASN A 55 190.308 -3.889 1.673 1.00 0.00 N ATOM 0 H ASN A 55 186.345 -2.128 -0.208 1.00 0.00 H new ATOM 0 HA ASN A 55 188.278 -2.178 1.951 1.00 0.00 H new ATOM 0 HB2 ASN A 55 187.655 -3.751 -0.314 1.00 0.00 H new ATOM 0 HB3 ASN A 55 189.209 -3.034 -0.689 1.00 0.00 H new ATOM 0 HD21 ASN A 55 190.811 -4.524 2.292 1.00 0.00 H new ATOM 0 HD22 ASN A 55 190.638 -2.932 1.547 1.00 0.00 H new ATOM 899 N THR A 56 189.383 -0.008 1.392 1.00 0.00 N ATOM 900 CA THR A 56 190.229 1.147 1.105 1.00 0.00 C ATOM 901 C THR A 56 191.703 0.794 1.311 1.00 0.00 C ATOM 902 O THR A 56 192.020 -0.271 1.841 1.00 0.00 O ATOM 903 CB THR A 56 189.845 2.343 1.992 1.00 0.00 C ATOM 904 OG1 THR A 56 190.811 2.555 3.005 1.00 0.00 O ATOM 905 CG2 THR A 56 188.500 2.197 2.674 1.00 0.00 C ATOM 0 H THR A 56 189.109 -0.096 2.370 1.00 0.00 H new ATOM 0 HA THR A 56 190.075 1.427 0.063 1.00 0.00 H new ATOM 0 HB THR A 56 189.793 3.188 1.305 1.00 0.00 H new ATOM 0 HG1 THR A 56 190.388 2.991 3.774 1.00 0.00 H new ATOM 0 HG21 THR A 56 188.302 3.081 3.281 1.00 0.00 H new ATOM 0 HG22 THR A 56 187.719 2.092 1.920 1.00 0.00 H new ATOM 0 HG23 THR A 56 188.510 1.313 3.312 1.00 0.00 H new ATOM 913 N PRO A 57 192.628 1.680 0.897 1.00 0.00 N ATOM 914 CA PRO A 57 194.065 1.439 1.050 1.00 0.00 C ATOM 915 C PRO A 57 194.487 1.321 2.513 1.00 0.00 C ATOM 916 O PRO A 57 195.564 0.807 2.816 1.00 0.00 O ATOM 917 CB PRO A 57 194.717 2.667 0.402 1.00 0.00 C ATOM 918 CG PRO A 57 193.655 3.711 0.392 1.00 0.00 C ATOM 919 CD PRO A 57 192.352 2.977 0.256 1.00 0.00 C ATOM 0 HA PRO A 57 194.362 0.496 0.592 1.00 0.00 H new ATOM 0 HB2 PRO A 57 195.588 2.996 0.969 1.00 0.00 H new ATOM 0 HB3 PRO A 57 195.060 2.444 -0.608 1.00 0.00 H new ATOM 0 HG2 PRO A 57 193.677 4.299 1.310 1.00 0.00 H new ATOM 0 HG3 PRO A 57 193.799 4.406 -0.435 1.00 0.00 H new ATOM 0 HD2 PRO A 57 191.538 3.506 0.752 1.00 0.00 H new ATOM 0 HD3 PRO A 57 192.065 2.857 -0.789 1.00 0.00 H new ATOM 927 N ASN A 58 193.633 1.791 3.420 1.00 0.00 N ATOM 928 CA ASN A 58 193.930 1.725 4.849 1.00 0.00 C ATOM 929 C ASN A 58 193.303 0.485 5.480 1.00 0.00 C ATOM 930 O ASN A 58 193.772 -0.002 6.509 1.00 0.00 O ATOM 931 CB ASN A 58 193.439 2.993 5.562 1.00 0.00 C ATOM 932 CG ASN A 58 191.932 3.029 5.746 1.00 0.00 C ATOM 933 OD1 ASN A 58 191.230 3.767 5.056 1.00 0.00 O ATOM 934 ND2 ASN A 58 191.427 2.240 6.688 1.00 0.00 N ATOM 0 H ASN A 58 192.735 2.219 3.193 1.00 0.00 H new ATOM 0 HA ASN A 58 195.012 1.657 4.965 1.00 0.00 H new ATOM 0 HB2 ASN A 58 193.920 3.063 6.538 1.00 0.00 H new ATOM 0 HB3 ASN A 58 193.750 3.867 4.990 1.00 0.00 H new ATOM 0 HD21 ASN A 58 190.422 2.231 6.861 1.00 0.00 H new ATOM 0 HD22 ASN A 58 192.044 1.643 7.238 1.00 0.00 H new ATOM 941 N GLY A 59 192.242 -0.022 4.858 1.00 0.00 N ATOM 942 CA GLY A 59 191.571 -1.199 5.377 1.00 0.00 C ATOM 943 C GLY A 59 190.199 -1.405 4.763 1.00 0.00 C ATOM 944 O GLY A 59 190.061 -1.447 3.541 1.00 0.00 O ATOM 0 H GLY A 59 191.836 0.362 4.005 1.00 0.00 H new ATOM 0 HA2 GLY A 59 192.187 -2.078 5.186 1.00 0.00 H new ATOM 0 HA3 GLY A 59 191.471 -1.109 6.459 1.00 0.00 H new ATOM 948 N VAL A 60 189.184 -1.532 5.612 1.00 0.00 N ATOM 949 CA VAL A 60 187.817 -1.734 5.143 1.00 0.00 C ATOM 950 C VAL A 60 186.825 -0.933 5.981 1.00 0.00 C ATOM 951 O VAL A 60 186.794 -1.055 7.206 1.00 0.00 O ATOM 952 CB VAL A 60 187.415 -3.224 5.180 1.00 0.00 C ATOM 953 CG1 VAL A 60 186.295 -3.498 4.186 1.00 0.00 C ATOM 954 CG2 VAL A 60 188.614 -4.120 4.898 1.00 0.00 C ATOM 0 H VAL A 60 189.282 -1.499 6.627 1.00 0.00 H new ATOM 0 HA VAL A 60 187.787 -1.386 4.111 1.00 0.00 H new ATOM 0 HB VAL A 60 187.052 -3.453 6.182 1.00 0.00 H new ATOM 0 HG11 VAL A 60 186.024 -4.553 4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 60 185.426 -2.890 4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 60 186.632 -3.247 3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 60 188.303 -5.164 4.930 1.00 0.00 H new ATOM 0 HG22 VAL A 60 189.015 -3.891 3.911 1.00 0.00 H new ATOM 0 HG23 VAL A 60 189.383 -3.947 5.651 1.00 0.00 H new ATOM 964 N LEU A 61 186.014 -0.116 5.316 1.00 0.00 N ATOM 965 CA LEU A 61 185.020 0.702 6.005 1.00 0.00 C ATOM 966 C LEU A 61 183.651 0.031 5.969 1.00 0.00 C ATOM 967 O LEU A 61 183.037 -0.088 4.911 1.00 0.00 O ATOM 968 CB LEU A 61 184.923 2.097 5.376 1.00 0.00 C ATOM 969 CG LEU A 61 186.202 2.618 4.718 1.00 0.00 C ATOM 970 CD1 LEU A 61 185.871 3.407 3.460 1.00 0.00 C ATOM 971 CD2 LEU A 61 186.990 3.478 5.696 1.00 0.00 C ATOM 0 H LEU A 61 186.025 -0.002 4.302 1.00 0.00 H new ATOM 0 HA LEU A 61 185.341 0.806 7.042 1.00 0.00 H new ATOM 0 HB2 LEU A 61 184.131 2.084 4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 61 184.620 2.804 6.149 1.00 0.00 H new ATOM 0 HG LEU A 61 186.818 1.764 4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 61 186.793 3.770 3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 61 185.347 2.763 2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 61 185.236 4.254 3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 61 187.897 3.841 5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 61 186.381 4.326 6.007 1.00 0.00 H new ATOM 0 HD23 LEU A 61 187.258 2.883 6.570 1.00 0.00 H new ATOM 983 N VAL A 62 183.180 -0.406 7.131 1.00 0.00 N ATOM 984 CA VAL A 62 181.884 -1.064 7.227 1.00 0.00 C ATOM 985 C VAL A 62 180.765 -0.044 7.396 1.00 0.00 C ATOM 986 O VAL A 62 180.549 0.482 8.488 1.00 0.00 O ATOM 987 CB VAL A 62 181.851 -2.063 8.401 1.00 0.00 C ATOM 988 CG1 VAL A 62 180.504 -2.769 8.470 1.00 0.00 C ATOM 989 CG2 VAL A 62 182.983 -3.069 8.272 1.00 0.00 C ATOM 0 H VAL A 62 183.676 -0.317 8.018 1.00 0.00 H new ATOM 0 HA VAL A 62 181.730 -1.610 6.296 1.00 0.00 H new ATOM 0 HB VAL A 62 181.989 -1.509 9.330 1.00 0.00 H new ATOM 0 HG11 VAL A 62 180.503 -3.469 9.305 1.00 0.00 H new ATOM 0 HG12 VAL A 62 179.714 -2.032 8.613 1.00 0.00 H new ATOM 0 HG13 VAL A 62 180.330 -3.312 7.541 1.00 0.00 H new ATOM 0 HG21 VAL A 62 182.946 -3.767 9.108 1.00 0.00 H new ATOM 0 HG22 VAL A 62 182.877 -3.618 7.336 1.00 0.00 H new ATOM 0 HG23 VAL A 62 183.938 -2.544 8.279 1.00 0.00 H new ATOM 999 N ALA A 63 180.055 0.234 6.307 1.00 0.00 N ATOM 1000 CA ALA A 63 178.959 1.194 6.336 1.00 0.00 C ATOM 1001 C ALA A 63 177.683 0.552 6.866 1.00 0.00 C ATOM 1002 O ALA A 63 176.931 -0.071 6.118 1.00 0.00 O ATOM 1003 CB ALA A 63 178.725 1.772 4.949 1.00 0.00 C ATOM 0 H ALA A 63 180.219 -0.192 5.395 1.00 0.00 H new ATOM 0 HA ALA A 63 179.236 2.004 7.011 1.00 0.00 H new ATOM 0 HB1 ALA A 63 177.903 2.487 4.987 1.00 0.00 H new ATOM 0 HB2 ALA A 63 179.629 2.276 4.607 1.00 0.00 H new ATOM 0 HB3 ALA A 63 178.474 0.968 4.257 1.00 0.00 H new ATOM 1009 N SER A 64 177.446 0.708 8.165 1.00 0.00 N ATOM 1010 CA SER A 64 176.262 0.141 8.797 1.00 0.00 C ATOM 1011 C SER A 64 175.197 1.208 9.019 1.00 0.00 C ATOM 1012 O SER A 64 175.371 2.115 9.832 1.00 0.00 O ATOM 1013 CB SER A 64 176.634 -0.510 10.128 1.00 0.00 C ATOM 1014 OG SER A 64 177.757 -1.360 9.985 1.00 0.00 O ATOM 0 H SER A 64 178.058 1.222 8.799 1.00 0.00 H new ATOM 0 HA SER A 64 175.853 -0.618 8.130 1.00 0.00 H new ATOM 0 HB2 SER A 64 176.851 0.262 10.866 1.00 0.00 H new ATOM 0 HB3 SER A 64 175.787 -1.083 10.505 1.00 0.00 H new ATOM 0 HG SER A 64 177.477 -2.206 9.578 1.00 0.00 H new ATOM 1020 N GLY A 65 174.090 1.088 8.294 1.00 0.00 N ATOM 1021 CA GLY A 65 173.007 2.043 8.429 1.00 0.00 C ATOM 1022 C GLY A 65 171.660 1.367 8.581 1.00 0.00 C ATOM 1023 O GLY A 65 171.049 0.957 7.593 1.00 0.00 O ATOM 0 H GLY A 65 173.924 0.345 7.615 1.00 0.00 H new ATOM 0 HA2 GLY A 65 173.192 2.679 9.295 1.00 0.00 H new ATOM 0 HA3 GLY A 65 172.988 2.693 7.555 1.00 0.00 H new ATOM 1027 N LYS A 66 171.195 1.247 9.818 1.00 0.00 N ATOM 1028 CA LYS A 66 169.912 0.610 10.090 1.00 0.00 C ATOM 1029 C LYS A 66 168.844 1.650 10.411 1.00 0.00 C ATOM 1030 O LYS A 66 169.119 2.650 11.074 1.00 0.00 O ATOM 1031 CB LYS A 66 170.046 -0.377 11.249 1.00 0.00 C ATOM 1032 CG LYS A 66 170.466 0.272 12.557 1.00 0.00 C ATOM 1033 CD LYS A 66 169.988 -0.529 13.756 1.00 0.00 C ATOM 1034 CE LYS A 66 170.584 -1.927 13.765 1.00 0.00 C ATOM 1035 NZ LYS A 66 171.948 -1.943 14.361 1.00 0.00 N ATOM 0 H LYS A 66 171.686 1.581 10.647 1.00 0.00 H new ATOM 0 HA LYS A 66 169.606 0.069 9.195 1.00 0.00 H new ATOM 0 HB2 LYS A 66 169.092 -0.884 11.395 1.00 0.00 H new ATOM 0 HB3 LYS A 66 170.776 -1.141 10.982 1.00 0.00 H new ATOM 0 HG2 LYS A 66 171.552 0.361 12.588 1.00 0.00 H new ATOM 0 HG3 LYS A 66 170.061 1.283 12.609 1.00 0.00 H new ATOM 0 HD2 LYS A 66 170.262 -0.010 14.674 1.00 0.00 H new ATOM 0 HD3 LYS A 66 168.900 -0.596 13.740 1.00 0.00 H new ATOM 0 HE2 LYS A 66 169.933 -2.596 14.328 1.00 0.00 H new ATOM 0 HE3 LYS A 66 170.628 -2.310 12.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 172.321 -2.914 14.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 172.576 -1.324 13.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 171.902 -1.602 15.342 1.00 0.00 H new ATOM 1049 N HIS A 67 167.623 1.409 9.939 1.00 0.00 N ATOM 1050 CA HIS A 67 166.518 2.336 10.185 1.00 0.00 C ATOM 1051 C HIS A 67 165.217 1.830 9.569 1.00 0.00 C ATOM 1052 O HIS A 67 165.228 1.001 8.659 1.00 0.00 O ATOM 1053 CB HIS A 67 166.851 3.723 9.627 1.00 0.00 C ATOM 1054 CG HIS A 67 167.087 4.767 10.679 1.00 0.00 C ATOM 1055 ND1 HIS A 67 167.116 4.494 12.033 1.00 0.00 N ATOM 1056 CD2 HIS A 67 167.305 6.101 10.564 1.00 0.00 C ATOM 1057 CE1 HIS A 67 167.337 5.611 12.701 1.00 0.00 C ATOM 1058 NE2 HIS A 67 167.456 6.599 11.834 1.00 0.00 N ATOM 0 H HIS A 67 167.374 0.587 9.388 1.00 0.00 H new ATOM 0 HA HIS A 67 166.380 2.405 11.264 1.00 0.00 H new ATOM 0 HB2 HIS A 67 167.740 3.647 9.000 1.00 0.00 H new ATOM 0 HB3 HIS A 67 166.034 4.049 8.983 1.00 0.00 H new ATOM 0 HD2 HIS A 67 167.351 6.666 9.645 1.00 0.00 H new ATOM 0 HE1 HIS A 67 167.408 5.701 13.775 1.00 0.00 H new ATOM 0 HE2 HIS A 67 167.632 7.576 12.070 1.00 0.00 H new ATOM 1067 N GLU A 68 164.098 2.339 10.078 1.00 0.00 N ATOM 1068 CA GLU A 68 162.780 1.944 9.592 1.00 0.00 C ATOM 1069 C GLU A 68 162.573 2.358 8.135 1.00 0.00 C ATOM 1070 O GLU A 68 162.022 1.596 7.340 1.00 0.00 O ATOM 1071 CB GLU A 68 161.679 2.544 10.476 1.00 0.00 C ATOM 1072 CG GLU A 68 161.439 4.031 10.258 1.00 0.00 C ATOM 1073 CD GLU A 68 162.588 4.891 10.749 1.00 0.00 C ATOM 1074 OE1 GLU A 68 163.418 4.381 11.532 1.00 0.00 O ATOM 1075 OE2 GLU A 68 162.659 6.072 10.352 1.00 0.00 O ATOM 0 H GLU A 68 164.079 3.028 10.830 1.00 0.00 H new ATOM 0 HA GLU A 68 162.722 0.857 9.643 1.00 0.00 H new ATOM 0 HB2 GLU A 68 160.749 2.007 10.291 1.00 0.00 H new ATOM 0 HB3 GLU A 68 161.939 2.380 11.522 1.00 0.00 H new ATOM 0 HG2 GLU A 68 161.281 4.217 9.196 1.00 0.00 H new ATOM 0 HG3 GLU A 68 160.525 4.326 10.773 1.00 0.00 H new ATOM 1082 N ASP A 69 163.011 3.565 7.788 1.00 0.00 N ATOM 1083 CA ASP A 69 162.860 4.063 6.425 1.00 0.00 C ATOM 1084 C ASP A 69 163.987 3.552 5.529 1.00 0.00 C ATOM 1085 O ASP A 69 165.117 3.359 5.979 1.00 0.00 O ATOM 1086 CB ASP A 69 162.824 5.593 6.408 1.00 0.00 C ATOM 1087 CG ASP A 69 161.503 6.132 5.892 1.00 0.00 C ATOM 1088 OD1 ASP A 69 160.456 5.510 6.172 1.00 0.00 O ATOM 1089 OD2 ASP A 69 161.517 7.176 5.204 1.00 0.00 O ATOM 0 H ASP A 69 163.471 4.213 8.428 1.00 0.00 H new ATOM 0 HA ASP A 69 161.914 3.688 6.035 1.00 0.00 H new ATOM 0 HB2 ASP A 69 162.999 5.970 7.416 1.00 0.00 H new ATOM 0 HB3 ASP A 69 163.635 5.966 5.783 1.00 0.00 H new ATOM 1094 N MET A 70 163.663 3.321 4.261 1.00 0.00 N ATOM 1095 CA MET A 70 164.638 2.820 3.301 1.00 0.00 C ATOM 1096 C MET A 70 165.694 3.873 2.969 1.00 0.00 C ATOM 1097 O MET A 70 166.875 3.691 3.263 1.00 0.00 O ATOM 1098 CB MET A 70 163.919 2.362 2.024 1.00 0.00 C ATOM 1099 CG MET A 70 164.852 2.040 0.863 1.00 0.00 C ATOM 1100 SD MET A 70 163.971 1.841 -0.697 1.00 0.00 S ATOM 1101 CE MET A 70 162.699 0.673 -0.220 1.00 0.00 C ATOM 0 H MET A 70 162.731 3.473 3.875 1.00 0.00 H new ATOM 0 HA MET A 70 165.153 1.972 3.752 1.00 0.00 H new ATOM 0 HB2 MET A 70 163.324 1.478 2.253 1.00 0.00 H new ATOM 0 HB3 MET A 70 163.225 3.142 1.712 1.00 0.00 H new ATOM 0 HG2 MET A 70 165.588 2.837 0.761 1.00 0.00 H new ATOM 0 HG3 MET A 70 165.401 1.125 1.086 1.00 0.00 H new ATOM 0 HE1 MET A 70 162.148 0.354 -1.105 1.00 0.00 H new ATOM 0 HE2 MET A 70 163.160 -0.194 0.253 1.00 0.00 H new ATOM 0 HE3 MET A 70 162.014 1.148 0.482 1.00 0.00 H new ATOM 1111 N TYR A 71 165.269 4.967 2.345 1.00 0.00 N ATOM 1112 CA TYR A 71 166.188 6.036 1.955 1.00 0.00 C ATOM 1113 C TYR A 71 167.013 6.548 3.133 1.00 0.00 C ATOM 1114 O TYR A 71 168.157 6.966 2.950 1.00 0.00 O ATOM 1115 CB TYR A 71 165.424 7.185 1.288 1.00 0.00 C ATOM 1116 CG TYR A 71 165.386 7.104 -0.229 1.00 0.00 C ATOM 1117 CD1 TYR A 71 165.839 5.976 -0.908 1.00 0.00 C ATOM 1118 CD2 TYR A 71 164.897 8.165 -0.983 1.00 0.00 C ATOM 1119 CE1 TYR A 71 165.808 5.907 -2.285 1.00 0.00 C ATOM 1120 CE2 TYR A 71 164.861 8.102 -2.365 1.00 0.00 C ATOM 1121 CZ TYR A 71 165.319 6.973 -3.010 1.00 0.00 C ATOM 1122 OH TYR A 71 165.286 6.908 -4.383 1.00 0.00 O ATOM 0 H TYR A 71 164.294 5.139 2.098 1.00 0.00 H new ATOM 0 HA TYR A 71 166.888 5.613 1.235 1.00 0.00 H new ATOM 0 HB2 TYR A 71 164.402 7.196 1.667 1.00 0.00 H new ATOM 0 HB3 TYR A 71 165.882 8.130 1.580 1.00 0.00 H new ATOM 0 HD1 TYR A 71 166.222 5.138 -0.345 1.00 0.00 H new ATOM 0 HD2 TYR A 71 164.540 9.053 -0.482 1.00 0.00 H new ATOM 0 HE1 TYR A 71 166.165 5.023 -2.793 1.00 0.00 H new ATOM 0 HE2 TYR A 71 164.476 8.934 -2.936 1.00 0.00 H new ATOM 0 HH TYR A 71 164.912 7.740 -4.741 1.00 0.00 H new ATOM 1132 N THR A 72 166.456 6.508 4.340 1.00 0.00 N ATOM 1133 CA THR A 72 167.198 6.962 5.507 1.00 0.00 C ATOM 1134 C THR A 72 168.297 5.958 5.833 1.00 0.00 C ATOM 1135 O THR A 72 169.408 6.335 6.200 1.00 0.00 O ATOM 1136 CB THR A 72 166.268 7.174 6.709 1.00 0.00 C ATOM 1137 OG1 THR A 72 166.727 8.253 7.507 1.00 0.00 O ATOM 1138 CG2 THR A 72 166.137 5.967 7.614 1.00 0.00 C ATOM 0 H THR A 72 165.512 6.173 4.532 1.00 0.00 H new ATOM 0 HA THR A 72 167.655 7.926 5.281 1.00 0.00 H new ATOM 0 HB THR A 72 165.290 7.376 6.272 1.00 0.00 H new ATOM 0 HG1 THR A 72 166.123 8.377 8.268 1.00 0.00 H new ATOM 0 HG21 THR A 72 165.463 6.201 8.438 1.00 0.00 H new ATOM 0 HG22 THR A 72 165.737 5.127 7.045 1.00 0.00 H new ATOM 0 HG23 THR A 72 167.117 5.702 8.011 1.00 0.00 H new ATOM 1146 N ALA A 73 167.982 4.673 5.669 1.00 0.00 N ATOM 1147 CA ALA A 73 168.955 3.618 5.919 1.00 0.00 C ATOM 1148 C ALA A 73 170.202 3.855 5.073 1.00 0.00 C ATOM 1149 O ALA A 73 171.325 3.808 5.576 1.00 0.00 O ATOM 1150 CB ALA A 73 168.352 2.254 5.616 1.00 0.00 C ATOM 0 H ALA A 73 167.066 4.342 5.366 1.00 0.00 H new ATOM 0 HA ALA A 73 169.236 3.637 6.972 1.00 0.00 H new ATOM 0 HB1 ALA A 73 169.093 1.478 5.808 1.00 0.00 H new ATOM 0 HB2 ALA A 73 167.482 2.091 6.252 1.00 0.00 H new ATOM 0 HB3 ALA A 73 168.048 2.215 4.570 1.00 0.00 H new ATOM 1156 N ILE A 74 169.988 4.139 3.790 1.00 0.00 N ATOM 1157 CA ILE A 74 171.096 4.419 2.879 1.00 0.00 C ATOM 1158 C ILE A 74 171.794 5.709 3.297 1.00 0.00 C ATOM 1159 O ILE A 74 173.008 5.852 3.150 1.00 0.00 O ATOM 1160 CB ILE A 74 170.661 4.545 1.389 1.00 0.00 C ATOM 1161 CG1 ILE A 74 169.136 4.484 1.220 1.00 0.00 C ATOM 1162 CG2 ILE A 74 171.324 3.463 0.552 1.00 0.00 C ATOM 1163 CD1 ILE A 74 168.569 3.079 1.281 1.00 0.00 C ATOM 0 H ILE A 74 169.064 4.181 3.360 1.00 0.00 H new ATOM 0 HA ILE A 74 171.770 3.565 2.948 1.00 0.00 H new ATOM 0 HB ILE A 74 170.988 5.525 1.040 1.00 0.00 H new ATOM 0 HG12 ILE A 74 168.669 5.088 1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 74 168.868 4.933 0.264 1.00 0.00 H new ATOM 0 HG21 ILE A 74 171.011 3.564 -0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 74 172.407 3.566 0.616 1.00 0.00 H new ATOM 0 HG23 ILE A 74 171.030 2.482 0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 74 167.487 3.117 1.154 1.00 0.00 H new ATOM 0 HD12 ILE A 74 169.007 2.475 0.486 1.00 0.00 H new ATOM 0 HD13 ILE A 74 168.805 2.633 2.247 1.00 0.00 H new ATOM 1175 N ASN A 75 171.009 6.644 3.826 1.00 0.00 N ATOM 1176 CA ASN A 75 171.537 7.925 4.280 1.00 0.00 C ATOM 1177 C ASN A 75 172.387 7.739 5.533 1.00 0.00 C ATOM 1178 O ASN A 75 173.593 7.983 5.517 1.00 0.00 O ATOM 1179 CB ASN A 75 170.389 8.895 4.564 1.00 0.00 C ATOM 1180 CG ASN A 75 169.947 9.645 3.323 1.00 0.00 C ATOM 1181 OD1 ASN A 75 170.755 10.280 2.645 1.00 0.00 O ATOM 1182 ND2 ASN A 75 168.656 9.575 3.018 1.00 0.00 N ATOM 0 H ASN A 75 170.002 6.537 3.951 1.00 0.00 H new ATOM 0 HA ASN A 75 172.166 8.340 3.492 1.00 0.00 H new ATOM 0 HB2 ASN A 75 169.543 8.343 4.972 1.00 0.00 H new ATOM 0 HB3 ASN A 75 170.701 9.610 5.326 1.00 0.00 H new ATOM 0 HD21 ASN A 75 168.300 10.059 2.194 1.00 0.00 H new ATOM 0 HD22 ASN A 75 168.021 9.037 3.608 1.00 0.00 H new ATOM 1189 N GLU A 76 171.756 7.298 6.619 1.00 0.00 N ATOM 1190 CA GLU A 76 172.462 7.070 7.878 1.00 0.00 C ATOM 1191 C GLU A 76 173.765 6.306 7.637 1.00 0.00 C ATOM 1192 O GLU A 76 174.745 6.474 8.364 1.00 0.00 O ATOM 1193 CB GLU A 76 171.571 6.289 8.846 1.00 0.00 C ATOM 1194 CG GLU A 76 171.789 6.652 10.307 1.00 0.00 C ATOM 1195 CD GLU A 76 171.414 5.523 11.249 1.00 0.00 C ATOM 1196 OE1 GLU A 76 171.352 4.363 10.788 1.00 0.00 O ATOM 1197 OE2 GLU A 76 171.185 5.798 12.445 1.00 0.00 O ATOM 0 H GLU A 76 170.758 7.091 6.653 1.00 0.00 H new ATOM 0 HA GLU A 76 172.704 8.038 8.316 1.00 0.00 H new ATOM 0 HB2 GLU A 76 170.527 6.467 8.589 1.00 0.00 H new ATOM 0 HB3 GLU A 76 171.754 5.223 8.715 1.00 0.00 H new ATOM 0 HG2 GLU A 76 172.835 6.916 10.460 1.00 0.00 H new ATOM 0 HG3 GLU A 76 171.198 7.535 10.551 1.00 0.00 H new ATOM 1204 N LEU A 77 173.759 5.460 6.610 1.00 0.00 N ATOM 1205 CA LEU A 77 174.924 4.654 6.262 1.00 0.00 C ATOM 1206 C LEU A 77 176.043 5.501 5.657 1.00 0.00 C ATOM 1207 O LEU A 77 177.204 5.376 6.047 1.00 0.00 O ATOM 1208 CB LEU A 77 174.515 3.552 5.278 1.00 0.00 C ATOM 1209 CG LEU A 77 175.669 2.744 4.679 1.00 0.00 C ATOM 1210 CD1 LEU A 77 175.193 1.362 4.262 1.00 0.00 C ATOM 1211 CD2 LEU A 77 176.272 3.479 3.491 1.00 0.00 C ATOM 0 H LEU A 77 172.954 5.315 6.001 1.00 0.00 H new ATOM 0 HA LEU A 77 175.307 4.208 7.180 1.00 0.00 H new ATOM 0 HB2 LEU A 77 173.840 2.865 5.788 1.00 0.00 H new ATOM 0 HB3 LEU A 77 173.951 4.007 4.463 1.00 0.00 H new ATOM 0 HG LEU A 77 176.439 2.627 5.441 1.00 0.00 H new ATOM 0 HD11 LEU A 77 176.027 0.802 3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 77 174.806 0.833 5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 77 174.405 1.459 3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 77 177.091 2.891 3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 77 175.508 3.625 2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 77 176.650 4.448 3.816 1.00 0.00 H new ATOM 1223 N ILE A 78 175.698 6.340 4.684 1.00 0.00 N ATOM 1224 CA ILE A 78 176.689 7.175 4.014 1.00 0.00 C ATOM 1225 C ILE A 78 177.422 8.100 4.985 1.00 0.00 C ATOM 1226 O ILE A 78 178.624 8.323 4.840 1.00 0.00 O ATOM 1227 CB ILE A 78 176.060 8.004 2.872 1.00 0.00 C ATOM 1228 CG1 ILE A 78 174.989 8.955 3.402 1.00 0.00 C ATOM 1229 CG2 ILE A 78 175.468 7.073 1.824 1.00 0.00 C ATOM 1230 CD1 ILE A 78 174.772 10.167 2.522 1.00 0.00 C ATOM 0 H ILE A 78 174.744 6.459 4.343 1.00 0.00 H new ATOM 0 HA ILE A 78 177.420 6.489 3.586 1.00 0.00 H new ATOM 0 HB ILE A 78 176.844 8.608 2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 78 174.048 8.413 3.499 1.00 0.00 H new ATOM 0 HG13 ILE A 78 175.271 9.287 4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 78 175.026 7.663 1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 78 176.254 6.437 1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 78 174.699 6.451 2.283 1.00 0.00 H new ATOM 0 HD11 ILE A 78 173.998 10.799 2.958 1.00 0.00 H new ATOM 0 HD12 ILE A 78 175.701 10.732 2.445 1.00 0.00 H new ATOM 0 HD13 ILE A 78 174.460 9.844 1.529 1.00 0.00 H new ATOM 1242 N ASN A 79 176.710 8.645 5.969 1.00 0.00 N ATOM 1243 CA ASN A 79 177.335 9.543 6.936 1.00 0.00 C ATOM 1244 C ASN A 79 178.270 8.775 7.867 1.00 0.00 C ATOM 1245 O ASN A 79 179.394 9.206 8.122 1.00 0.00 O ATOM 1246 CB ASN A 79 176.285 10.305 7.752 1.00 0.00 C ATOM 1247 CG ASN A 79 175.121 9.438 8.184 1.00 0.00 C ATOM 1248 OD1 ASN A 79 174.109 9.352 7.489 1.00 0.00 O ATOM 1249 ND2 ASN A 79 175.255 8.796 9.340 1.00 0.00 N ATOM 0 H ASN A 79 175.714 8.484 6.117 1.00 0.00 H new ATOM 0 HA ASN A 79 177.921 10.270 6.374 1.00 0.00 H new ATOM 0 HB2 ASN A 79 176.760 10.731 8.636 1.00 0.00 H new ATOM 0 HB3 ASN A 79 175.908 11.139 7.159 1.00 0.00 H new ATOM 0 HD21 ASN A 79 174.500 8.202 9.684 1.00 0.00 H new ATOM 0 HD22 ASN A 79 176.112 8.897 9.883 1.00 0.00 H new ATOM 1256 N LYS A 80 177.804 7.634 8.369 1.00 0.00 N ATOM 1257 CA LYS A 80 178.612 6.814 9.265 1.00 0.00 C ATOM 1258 C LYS A 80 179.895 6.363 8.570 1.00 0.00 C ATOM 1259 O LYS A 80 180.986 6.441 9.138 1.00 0.00 O ATOM 1260 CB LYS A 80 177.818 5.593 9.738 1.00 0.00 C ATOM 1261 CG LYS A 80 178.605 4.673 10.661 1.00 0.00 C ATOM 1262 CD LYS A 80 178.026 4.662 12.067 1.00 0.00 C ATOM 1263 CE LYS A 80 176.747 3.845 12.136 1.00 0.00 C ATOM 1264 NZ LYS A 80 176.991 2.404 11.849 1.00 0.00 N ATOM 0 H LYS A 80 176.876 7.259 8.172 1.00 0.00 H new ATOM 0 HA LYS A 80 178.877 7.419 10.132 1.00 0.00 H new ATOM 0 HB2 LYS A 80 176.921 5.932 10.256 1.00 0.00 H new ATOM 0 HB3 LYS A 80 177.488 5.025 8.868 1.00 0.00 H new ATOM 0 HG2 LYS A 80 178.600 3.661 10.257 1.00 0.00 H new ATOM 0 HG3 LYS A 80 179.645 4.997 10.698 1.00 0.00 H new ATOM 0 HD2 LYS A 80 178.760 4.251 12.760 1.00 0.00 H new ATOM 0 HD3 LYS A 80 177.824 5.684 12.386 1.00 0.00 H new ATOM 0 HE2 LYS A 80 176.304 3.948 13.127 1.00 0.00 H new ATOM 0 HE3 LYS A 80 176.025 4.240 11.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 176.666 2.182 10.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 178.008 2.202 11.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 176.470 1.820 12.534 1.00 0.00 H new ATOM 1278 N LEU A 81 179.753 5.891 7.337 1.00 0.00 N ATOM 1279 CA LEU A 81 180.894 5.427 6.555 1.00 0.00 C ATOM 1280 C LEU A 81 181.924 6.536 6.377 1.00 0.00 C ATOM 1281 O LEU A 81 183.119 6.324 6.583 1.00 0.00 O ATOM 1282 CB LEU A 81 180.425 4.925 5.187 1.00 0.00 C ATOM 1283 CG LEU A 81 181.400 3.990 4.471 1.00 0.00 C ATOM 1284 CD1 LEU A 81 182.632 4.754 4.014 1.00 0.00 C ATOM 1285 CD2 LEU A 81 181.792 2.833 5.377 1.00 0.00 C ATOM 0 H LEU A 81 178.857 5.819 6.856 1.00 0.00 H new ATOM 0 HA LEU A 81 181.365 4.607 7.097 1.00 0.00 H new ATOM 0 HB2 LEU A 81 179.475 4.406 5.314 1.00 0.00 H new ATOM 0 HB3 LEU A 81 180.235 5.786 4.547 1.00 0.00 H new ATOM 0 HG LEU A 81 180.903 3.582 3.591 1.00 0.00 H new ATOM 0 HD11 LEU A 81 183.315 4.073 3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 81 182.335 5.547 3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 81 183.131 5.190 4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 81 182.486 2.178 4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 81 182.270 3.221 6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 81 180.901 2.270 5.654 1.00 0.00 H new ATOM 1297 N GLU A 82 181.455 7.720 5.992 1.00 0.00 N ATOM 1298 CA GLU A 82 182.341 8.865 5.786 1.00 0.00 C ATOM 1299 C GLU A 82 183.245 9.079 6.997 1.00 0.00 C ATOM 1300 O GLU A 82 184.470 9.064 6.878 1.00 0.00 O ATOM 1301 CB GLU A 82 181.525 10.129 5.509 1.00 0.00 C ATOM 1302 CG GLU A 82 181.507 10.530 4.043 1.00 0.00 C ATOM 1303 CD GLU A 82 180.221 11.230 3.644 1.00 0.00 C ATOM 1304 OE1 GLU A 82 179.352 11.423 4.521 1.00 0.00 O ATOM 1305 OE2 GLU A 82 180.083 11.585 2.454 1.00 0.00 O ATOM 0 H GLU A 82 180.469 7.913 5.816 1.00 0.00 H new ATOM 0 HA GLU A 82 182.969 8.654 4.921 1.00 0.00 H new ATOM 0 HB2 GLU A 82 180.501 9.972 5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 82 181.932 10.951 6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 82 182.352 11.188 3.840 1.00 0.00 H new ATOM 0 HG3 GLU A 82 181.639 9.641 3.426 1.00 0.00 H new ATOM 1312 N ARG A 83 182.633 9.272 8.163 1.00 0.00 N ATOM 1313 CA ARG A 83 183.384 9.482 9.398 1.00 0.00 C ATOM 1314 C ARG A 83 184.478 8.431 9.551 1.00 0.00 C ATOM 1315 O ARG A 83 185.606 8.743 9.936 1.00 0.00 O ATOM 1316 CB ARG A 83 182.444 9.437 10.603 1.00 0.00 C ATOM 1317 CG ARG A 83 182.904 10.295 11.770 1.00 0.00 C ATOM 1318 CD ARG A 83 182.220 11.652 11.766 1.00 0.00 C ATOM 1319 NE ARG A 83 182.990 12.649 11.029 1.00 0.00 N ATOM 1320 CZ ARG A 83 182.468 13.764 10.520 1.00 0.00 C ATOM 1321 NH1 ARG A 83 181.176 14.029 10.671 1.00 0.00 N ATOM 1322 NH2 ARG A 83 183.241 14.616 9.860 1.00 0.00 N ATOM 0 H ARG A 83 181.620 9.287 8.278 1.00 0.00 H new ATOM 0 HA ARG A 83 183.853 10.465 9.349 1.00 0.00 H new ATOM 0 HB2 ARG A 83 181.452 9.765 10.291 1.00 0.00 H new ATOM 0 HB3 ARG A 83 182.347 8.404 10.939 1.00 0.00 H new ATOM 0 HG2 ARG A 83 182.690 9.781 12.707 1.00 0.00 H new ATOM 0 HG3 ARG A 83 183.984 10.431 11.720 1.00 0.00 H new ATOM 0 HD2 ARG A 83 181.229 11.558 11.321 1.00 0.00 H new ATOM 0 HD3 ARG A 83 182.078 11.990 12.793 1.00 0.00 H new ATOM 0 HE ARG A 83 183.987 12.482 10.896 1.00 0.00 H new ATOM 0 HH11 ARG A 83 180.578 13.377 11.179 1.00 0.00 H new ATOM 0 HH12 ARG A 83 180.782 14.884 10.279 1.00 0.00 H new ATOM 0 HH21 ARG A 83 184.235 14.417 9.742 1.00 0.00 H new ATOM 0 HH22 ARG A 83 182.842 15.470 9.470 1.00 0.00 H new ATOM 1336 N GLN A 84 184.135 7.185 9.242 1.00 0.00 N ATOM 1337 CA GLN A 84 185.086 6.083 9.338 1.00 0.00 C ATOM 1338 C GLN A 84 186.266 6.298 8.396 1.00 0.00 C ATOM 1339 O GLN A 84 187.389 5.889 8.687 1.00 0.00 O ATOM 1340 CB GLN A 84 184.398 4.758 9.007 1.00 0.00 C ATOM 1341 CG GLN A 84 183.229 4.431 9.921 1.00 0.00 C ATOM 1342 CD GLN A 84 182.180 3.576 9.239 1.00 0.00 C ATOM 1343 OE1 GLN A 84 180.980 3.799 9.402 1.00 0.00 O ATOM 1344 NE2 GLN A 84 182.628 2.592 8.468 1.00 0.00 N ATOM 0 H GLN A 84 183.205 6.913 8.923 1.00 0.00 H new ATOM 0 HA GLN A 84 185.459 6.049 10.362 1.00 0.00 H new ATOM 0 HB2 GLN A 84 184.044 4.790 7.977 1.00 0.00 H new ATOM 0 HB3 GLN A 84 185.131 3.953 9.067 1.00 0.00 H new ATOM 0 HG2 GLN A 84 183.598 3.911 10.805 1.00 0.00 H new ATOM 0 HG3 GLN A 84 182.770 5.358 10.264 1.00 0.00 H new ATOM 0 HE21 GLN A 84 183.632 2.444 8.362 1.00 0.00 H new ATOM 0 HE22 GLN A 84 181.969 1.984 7.982 1.00 0.00 H new ATOM 1353 N LEU A 85 186.002 6.939 7.261 1.00 0.00 N ATOM 1354 CA LEU A 85 187.040 7.203 6.272 1.00 0.00 C ATOM 1355 C LEU A 85 188.048 8.225 6.789 1.00 0.00 C ATOM 1356 O LEU A 85 189.209 7.894 7.030 1.00 0.00 O ATOM 1357 CB LEU A 85 186.413 7.698 4.966 1.00 0.00 C ATOM 1358 CG LEU A 85 186.988 7.070 3.693 1.00 0.00 C ATOM 1359 CD1 LEU A 85 185.872 6.564 2.793 1.00 0.00 C ATOM 1360 CD2 LEU A 85 187.859 8.073 2.950 1.00 0.00 C ATOM 0 H LEU A 85 185.077 7.285 7.004 1.00 0.00 H new ATOM 0 HA LEU A 85 187.570 6.269 6.083 1.00 0.00 H new ATOM 0 HB2 LEU A 85 185.341 7.502 4.998 1.00 0.00 H new ATOM 0 HB3 LEU A 85 186.537 8.779 4.908 1.00 0.00 H new ATOM 0 HG LEU A 85 187.608 6.221 3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 85 186.302 6.122 1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 85 185.289 5.812 3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 85 185.224 7.395 2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 85 188.259 7.610 2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 85 187.261 8.942 2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 85 188.682 8.387 3.592 1.00 0.00 H new ATOM 1372 N ASN A 86 187.601 9.468 6.952 1.00 0.00 N ATOM 1373 CA ASN A 86 188.473 10.540 7.435 1.00 0.00 C ATOM 1374 C ASN A 86 189.277 10.094 8.653 1.00 0.00 C ATOM 1375 O ASN A 86 190.400 10.550 8.865 1.00 0.00 O ATOM 1376 CB ASN A 86 187.668 11.799 7.784 1.00 0.00 C ATOM 1377 CG ASN A 86 186.271 11.489 8.273 1.00 0.00 C ATOM 1378 OD1 ASN A 86 186.041 11.304 9.468 1.00 0.00 O ATOM 1379 ND2 ASN A 86 185.326 11.432 7.344 1.00 0.00 N ATOM 0 H ASN A 86 186.643 9.759 6.758 1.00 0.00 H new ATOM 0 HA ASN A 86 189.163 10.778 6.626 1.00 0.00 H new ATOM 0 HB2 ASN A 86 188.199 12.362 8.551 1.00 0.00 H new ATOM 0 HB3 ASN A 86 187.606 12.439 6.904 1.00 0.00 H new ATOM 0 HD21 ASN A 86 184.362 11.228 7.609 1.00 0.00 H new ATOM 0 HD22 ASN A 86 185.563 11.592 6.365 1.00 0.00 H new ATOM 1386 N LYS A 87 188.696 9.201 9.446 1.00 0.00 N ATOM 1387 CA LYS A 87 189.362 8.695 10.641 1.00 0.00 C ATOM 1388 C LYS A 87 190.604 7.887 10.280 1.00 0.00 C ATOM 1389 O LYS A 87 191.716 8.227 10.685 1.00 0.00 O ATOM 1390 CB LYS A 87 188.400 7.831 11.458 1.00 0.00 C ATOM 1391 CG LYS A 87 188.877 7.565 12.877 1.00 0.00 C ATOM 1392 CD LYS A 87 190.013 6.554 12.905 1.00 0.00 C ATOM 1393 CE LYS A 87 189.759 5.453 13.924 1.00 0.00 C ATOM 1394 NZ LYS A 87 190.077 4.105 13.375 1.00 0.00 N ATOM 0 H LYS A 87 187.767 8.813 9.284 1.00 0.00 H new ATOM 0 HA LYS A 87 189.673 9.552 11.239 1.00 0.00 H new ATOM 0 HB2 LYS A 87 187.427 8.322 11.496 1.00 0.00 H new ATOM 0 HB3 LYS A 87 188.257 6.879 10.947 1.00 0.00 H new ATOM 0 HG2 LYS A 87 189.209 8.499 13.331 1.00 0.00 H new ATOM 0 HG3 LYS A 87 188.046 7.196 13.478 1.00 0.00 H new ATOM 0 HD2 LYS A 87 190.133 6.114 11.915 1.00 0.00 H new ATOM 0 HD3 LYS A 87 190.947 7.062 13.143 1.00 0.00 H new ATOM 0 HE2 LYS A 87 190.363 5.635 14.813 1.00 0.00 H new ATOM 0 HE3 LYS A 87 188.715 5.481 14.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 189.891 3.382 14.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 189.483 3.921 12.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 191.079 4.070 13.100 1.00 0.00 H new ATOM 1408 N LEU A 88 190.407 6.816 9.518 1.00 0.00 N ATOM 1409 CA LEU A 88 191.512 5.958 9.105 1.00 0.00 C ATOM 1410 C LEU A 88 192.431 6.672 8.115 1.00 0.00 C ATOM 1411 O LEU A 88 193.566 6.254 7.900 1.00 0.00 O ATOM 1412 CB LEU A 88 190.982 4.666 8.475 1.00 0.00 C ATOM 1413 CG LEU A 88 189.797 4.023 9.198 1.00 0.00 C ATOM 1414 CD1 LEU A 88 188.803 3.457 8.196 1.00 0.00 C ATOM 1415 CD2 LEU A 88 190.278 2.935 10.147 1.00 0.00 C ATOM 0 H LEU A 88 189.493 6.522 9.174 1.00 0.00 H new ATOM 0 HA LEU A 88 192.089 5.714 9.997 1.00 0.00 H new ATOM 0 HB2 LEU A 88 190.688 4.877 7.447 1.00 0.00 H new ATOM 0 HB3 LEU A 88 191.796 3.942 8.432 1.00 0.00 H new ATOM 0 HG LEU A 88 189.293 4.792 9.784 1.00 0.00 H new ATOM 0 HD11 LEU A 88 187.967 3.004 8.729 1.00 0.00 H new ATOM 0 HD12 LEU A 88 188.434 4.259 7.557 1.00 0.00 H new ATOM 0 HD13 LEU A 88 189.295 2.702 7.583 1.00 0.00 H new ATOM 0 HD21 LEU A 88 189.422 2.489 10.653 1.00 0.00 H new ATOM 0 HD22 LEU A 88 190.807 2.167 9.582 1.00 0.00 H new ATOM 0 HD23 LEU A 88 190.951 3.369 10.887 1.00 0.00 H new