USER MOD reduce.3.24.130724 H: found=0, std=0, add=1067, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1064 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 75 MET CE :methyl -120:sc= -0.775 (180deg=-0.391) USER MOD Set 1.2: A 95 MET CE :methyl 143:sc= 0 (180deg=-0.0693) USER MOD Set 2.1: A 46 GLN : amide:sc= -0.0226 X(o=-0.023,f=0.26) USER MOD Set 2.2: A 48 HIS : no HD1:sc= 0 X(o=-0.023,f=0.26) USER MOD Set 3.1: A 40 TYR OH : rot 151:sc= 0.00162 USER MOD Set 3.2: A 42 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.54) USER MOD Set 4.1: A 32 SER OG : rot 79:sc= 0.637 USER MOD Set 4.2: A 126 ASN :FLIP amide:sc= 0.577 F(o=-0.29,f=1.2) USER MOD Single : A 0 GLY N :NH3+ -115:sc= 0.103 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 92:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.183 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot -64:sc= 0.0431 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0262 X(o=-0.026,f=-0.026) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.154 K(o=-0.15,f=-6.4!) USER MOD Single : A 58 TYR OH : rot 30:sc= -0.055 USER MOD Single : A 59 CYS SG : rot 23:sc= 0.0123 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 90:sc= 0.576 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HE2:sc= -0.527 K(o=-0.53,f=-5.5!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl -167:sc= 0 (180deg=-0.186) USER MOD Single : A 99 ASN : amide:sc= -0.355 X(o=-0.35,f=-0.0065) USER MOD Single : A 102 ASN : amide:sc= 0.842 K(o=0.84,f=-0.0054) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.0111 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 115 ASN : amide:sc= -0.247 X(o=-0.25,f=0) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 173:sc= 1.05 (180deg=1.02) USER MOD Single : A 131 ASN : amide:sc= -0.0384 K(o=-0.038,f=-0.72) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 137 ASN : amide:sc= -0.0115 X(o=-0.011,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 8 N GLY A 0 0.709 1.445 -3.073 1.00 0.00 N ATOM 9 CA GLY A 0 0.010 2.441 -3.893 1.00 0.00 C ATOM 10 C GLY A 0 -0.191 3.747 -3.116 1.00 0.00 C ATOM 11 O GLY A 0 0.021 3.780 -1.904 1.00 0.00 O ATOM 0 H1 GLY A 0 1.637 1.239 -3.494 1.00 0.00 H new ATOM 0 H2 GLY A 0 0.840 1.818 -2.111 1.00 0.00 H new ATOM 0 H3 GLY A 0 0.146 0.572 -3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 0 0.582 2.637 -4.800 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -0.957 2.047 -4.205 1.00 0.00 H new ATOM 15 N ALA A 1 -0.593 4.822 -3.798 1.00 0.00 N ATOM 16 CA ALA A 1 -0.738 6.163 -3.216 1.00 0.00 C ATOM 17 C ALA A 1 -1.598 7.114 -4.084 1.00 0.00 C ATOM 18 O ALA A 1 -2.025 6.759 -5.187 1.00 0.00 O ATOM 19 CB ALA A 1 0.674 6.703 -2.976 1.00 0.00 C ATOM 0 H ALA A 1 -0.832 4.787 -4.789 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.285 6.099 -2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.613 7.701 -2.543 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.205 6.042 -2.291 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.211 6.751 -3.923 1.00 0.00 H new ATOM 25 N LEU A 2 -1.843 8.329 -3.574 1.00 0.00 N ATOM 26 CA LEU A 2 -2.718 9.350 -4.165 1.00 0.00 C ATOM 27 C LEU A 2 -1.897 10.525 -4.726 1.00 0.00 C ATOM 28 O LEU A 2 -0.829 10.844 -4.201 1.00 0.00 O ATOM 29 CB LEU A 2 -3.683 9.897 -3.092 1.00 0.00 C ATOM 30 CG LEU A 2 -4.645 8.928 -2.376 1.00 0.00 C ATOM 31 CD1 LEU A 2 -5.400 8.023 -3.350 1.00 0.00 C ATOM 32 CD2 LEU A 2 -3.973 8.124 -1.264 1.00 0.00 C ATOM 0 H LEU A 2 -1.418 8.640 -2.700 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.276 8.882 -4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.079 10.384 -2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.289 10.672 -3.561 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.385 9.564 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.063 7.361 -2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -5.989 8.635 -4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.687 7.427 -3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.704 7.462 -0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -3.161 7.530 -1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -3.574 8.805 -0.513 1.00 0.00 H new ATOM 44 N SER A 3 -2.394 11.189 -5.773 1.00 0.00 N ATOM 45 CA SER A 3 -1.756 12.384 -6.353 1.00 0.00 C ATOM 46 C SER A 3 -1.763 13.575 -5.380 1.00 0.00 C ATOM 47 O SER A 3 -2.569 13.634 -4.452 1.00 0.00 O ATOM 48 CB SER A 3 -2.475 12.767 -7.650 1.00 0.00 C ATOM 49 OG SER A 3 -1.773 13.780 -8.352 1.00 0.00 O ATOM 0 H SER A 3 -3.254 10.915 -6.248 1.00 0.00 H new ATOM 0 HA SER A 3 -0.714 12.139 -6.559 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.577 11.887 -8.285 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.483 13.113 -7.420 1.00 0.00 H new ATOM 0 HG SER A 3 -2.256 14.002 -9.176 1.00 0.00 H new ATOM 55 N TYR A 4 -0.906 14.571 -5.630 1.00 0.00 N ATOM 56 CA TYR A 4 -0.891 15.842 -4.892 1.00 0.00 C ATOM 57 C TYR A 4 -2.272 16.511 -4.847 1.00 0.00 C ATOM 58 O TYR A 4 -2.717 16.977 -3.799 1.00 0.00 O ATOM 59 CB TYR A 4 0.105 16.786 -5.572 1.00 0.00 C ATOM 60 CG TYR A 4 0.250 18.136 -4.893 1.00 0.00 C ATOM 61 CD1 TYR A 4 -0.605 19.197 -5.249 1.00 0.00 C ATOM 62 CD2 TYR A 4 1.237 18.328 -3.907 1.00 0.00 C ATOM 63 CE1 TYR A 4 -0.475 20.449 -4.618 1.00 0.00 C ATOM 64 CE2 TYR A 4 1.369 19.579 -3.274 1.00 0.00 C ATOM 65 CZ TYR A 4 0.516 20.646 -3.634 1.00 0.00 C ATOM 66 OH TYR A 4 0.656 21.866 -3.050 1.00 0.00 O ATOM 0 H TYR A 4 -0.194 14.518 -6.359 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.600 15.632 -3.863 1.00 0.00 H new ATOM 0 HB2 TYR A 4 1.081 16.302 -5.605 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.208 16.943 -6.604 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.361 19.050 -6.006 1.00 0.00 H new ATOM 0 HD2 TYR A 4 1.894 17.515 -3.636 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.135 21.260 -4.888 1.00 0.00 H new ATOM 0 HE2 TYR A 4 2.122 19.723 -2.513 1.00 0.00 H new ATOM 0 HH TYR A 4 1.383 21.833 -2.393 1.00 0.00 H new ATOM 76 N GLU A 5 -2.954 16.524 -5.997 1.00 0.00 N ATOM 77 CA GLU A 5 -4.272 17.140 -6.208 1.00 0.00 C ATOM 78 C GLU A 5 -5.378 16.553 -5.326 1.00 0.00 C ATOM 79 O GLU A 5 -6.393 17.207 -5.093 1.00 0.00 O ATOM 80 CB GLU A 5 -4.694 16.923 -7.667 1.00 0.00 C ATOM 81 CG GLU A 5 -3.750 17.548 -8.694 1.00 0.00 C ATOM 82 CD GLU A 5 -3.936 19.074 -8.792 1.00 0.00 C ATOM 83 OE1 GLU A 5 -4.778 19.537 -9.600 1.00 0.00 O ATOM 84 OE2 GLU A 5 -3.241 19.827 -8.065 1.00 0.00 O ATOM 0 H GLU A 5 -2.589 16.087 -6.843 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.160 18.193 -5.950 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.762 15.852 -7.858 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.692 17.336 -7.810 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.718 17.325 -8.422 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.927 17.097 -9.671 1.00 0.00 H new ATOM 91 N THR A 6 -5.199 15.314 -4.865 1.00 0.00 N ATOM 92 CA THR A 6 -6.150 14.613 -3.986 1.00 0.00 C ATOM 93 C THR A 6 -6.296 15.330 -2.636 1.00 0.00 C ATOM 94 O THR A 6 -5.359 15.374 -1.835 1.00 0.00 O ATOM 95 CB THR A 6 -5.744 13.144 -3.782 1.00 0.00 C ATOM 96 OG1 THR A 6 -5.651 12.485 -5.032 1.00 0.00 O ATOM 97 CG2 THR A 6 -6.771 12.375 -2.952 1.00 0.00 C ATOM 0 H THR A 6 -4.376 14.756 -5.093 1.00 0.00 H new ATOM 0 HA THR A 6 -7.121 14.628 -4.481 1.00 0.00 H new ATOM 0 HB THR A 6 -4.786 13.159 -3.262 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.733 12.550 -5.369 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.443 11.342 -2.833 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.868 12.840 -1.971 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.736 12.393 -3.459 1.00 0.00 H new ATOM 105 N GLU A 7 -7.478 15.895 -2.369 1.00 0.00 N ATOM 106 CA GLU A 7 -7.741 16.691 -1.160 1.00 0.00 C ATOM 107 C GLU A 7 -8.401 15.836 -0.070 1.00 0.00 C ATOM 108 O GLU A 7 -9.355 15.092 -0.328 1.00 0.00 O ATOM 109 CB GLU A 7 -8.622 17.919 -1.454 1.00 0.00 C ATOM 110 CG GLU A 7 -8.171 18.721 -2.688 1.00 0.00 C ATOM 111 CD GLU A 7 -9.046 19.958 -2.982 1.00 0.00 C ATOM 112 OE1 GLU A 7 -9.156 20.861 -2.119 1.00 0.00 O ATOM 113 OE2 GLU A 7 -9.622 20.041 -4.097 1.00 0.00 O ATOM 0 H GLU A 7 -8.285 15.814 -2.987 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.773 17.044 -0.805 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.651 17.591 -1.601 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.618 18.575 -0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.140 19.043 -2.543 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.181 18.066 -3.559 1.00 0.00 H new ATOM 120 N ILE A 8 -7.915 15.981 1.163 1.00 0.00 N ATOM 121 CA ILE A 8 -8.308 15.193 2.334 1.00 0.00 C ATOM 122 C ILE A 8 -8.910 16.148 3.364 1.00 0.00 C ATOM 123 O ILE A 8 -8.264 17.121 3.754 1.00 0.00 O ATOM 124 CB ILE A 8 -7.079 14.457 2.923 1.00 0.00 C ATOM 125 CG1 ILE A 8 -6.306 13.619 1.883 1.00 0.00 C ATOM 126 CG2 ILE A 8 -7.475 13.582 4.127 1.00 0.00 C ATOM 127 CD1 ILE A 8 -7.137 12.587 1.115 1.00 0.00 C ATOM 0 H ILE A 8 -7.206 16.681 1.384 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.042 14.437 2.054 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.401 15.241 3.259 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.848 14.298 1.164 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.495 13.099 2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.591 13.079 4.518 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.909 14.209 4.906 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.206 12.838 3.811 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.497 12.055 0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.574 11.877 1.817 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.933 13.094 0.569 1.00 0.00 H new ATOM 139 N LEU A 9 -10.154 15.897 3.779 1.00 0.00 N ATOM 140 CA LEU A 9 -10.808 16.694 4.829 1.00 0.00 C ATOM 141 C LEU A 9 -10.091 16.530 6.185 1.00 0.00 C ATOM 142 O LEU A 9 -9.963 15.413 6.694 1.00 0.00 O ATOM 143 CB LEU A 9 -12.307 16.333 4.906 1.00 0.00 C ATOM 144 CG LEU A 9 -13.177 17.473 5.480 1.00 0.00 C ATOM 145 CD1 LEU A 9 -14.605 17.403 4.941 1.00 0.00 C ATOM 146 CD2 LEU A 9 -13.282 17.464 6.993 1.00 0.00 C ATOM 0 H LEU A 9 -10.734 15.146 3.404 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.734 17.750 4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.665 16.078 3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.429 15.444 5.525 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.669 18.384 5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.193 18.218 5.363 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.589 17.492 3.855 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.053 16.449 5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.909 18.294 7.319 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.725 16.524 7.321 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.288 17.568 7.427 1.00 0.00 H new ATOM 158 N THR A 10 -9.668 17.645 6.790 1.00 0.00 N ATOM 159 CA THR A 10 -9.014 17.685 8.109 1.00 0.00 C ATOM 160 C THR A 10 -9.775 18.565 9.104 1.00 0.00 C ATOM 161 O THR A 10 -10.482 19.501 8.720 1.00 0.00 O ATOM 162 CB THR A 10 -7.546 18.147 8.028 1.00 0.00 C ATOM 163 OG1 THR A 10 -7.452 19.520 7.702 1.00 0.00 O ATOM 164 CG2 THR A 10 -6.730 17.356 7.007 1.00 0.00 C ATOM 0 H THR A 10 -9.772 18.568 6.369 1.00 0.00 H new ATOM 0 HA THR A 10 -9.028 16.657 8.471 1.00 0.00 H new ATOM 0 HB THR A 10 -7.133 17.967 9.021 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.509 19.782 7.660 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.705 17.726 6.995 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.731 16.301 7.279 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.171 17.476 6.017 1.00 0.00 H new ATOM 172 N VAL A 11 -9.631 18.274 10.404 1.00 0.00 N ATOM 173 CA VAL A 11 -10.232 19.093 11.480 1.00 0.00 C ATOM 174 C VAL A 11 -9.440 20.390 11.721 1.00 0.00 C ATOM 175 O VAL A 11 -10.015 21.420 12.074 1.00 0.00 O ATOM 176 CB VAL A 11 -10.371 18.289 12.792 1.00 0.00 C ATOM 177 CG1 VAL A 11 -11.146 19.056 13.871 1.00 0.00 C ATOM 178 CG2 VAL A 11 -11.108 16.958 12.582 1.00 0.00 C ATOM 0 H VAL A 11 -9.100 17.472 10.744 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.231 19.371 11.145 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.345 18.113 13.116 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.215 18.446 14.772 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.626 19.986 14.101 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.149 19.281 13.508 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.181 16.429 13.532 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.109 17.153 12.197 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.558 16.346 11.867 1.00 0.00 H new ATOM 188 N GLU A 12 -8.123 20.362 11.486 1.00 0.00 N ATOM 189 CA GLU A 12 -7.235 21.525 11.641 1.00 0.00 C ATOM 190 C GLU A 12 -7.523 22.663 10.651 1.00 0.00 C ATOM 191 O GLU A 12 -7.419 23.832 11.034 1.00 0.00 O ATOM 192 CB GLU A 12 -5.775 21.075 11.470 1.00 0.00 C ATOM 193 CG GLU A 12 -5.146 20.549 12.764 1.00 0.00 C ATOM 194 CD GLU A 12 -5.013 21.654 13.832 1.00 0.00 C ATOM 195 OE1 GLU A 12 -4.102 22.511 13.723 1.00 0.00 O ATOM 196 OE2 GLU A 12 -5.819 21.675 14.795 1.00 0.00 O ATOM 0 H GLU A 12 -7.635 19.520 11.179 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.419 21.922 12.640 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.729 20.296 10.709 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.184 21.914 11.102 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.754 19.735 13.158 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.162 20.135 12.546 1.00 0.00 H new ATOM 203 N TYR A 13 -7.898 22.343 9.403 1.00 0.00 N ATOM 204 CA TYR A 13 -8.067 23.344 8.339 1.00 0.00 C ATOM 205 C TYR A 13 -9.275 23.090 7.424 1.00 0.00 C ATOM 206 O TYR A 13 -10.055 24.015 7.184 1.00 0.00 O ATOM 207 CB TYR A 13 -6.791 23.410 7.483 1.00 0.00 C ATOM 208 CG TYR A 13 -5.511 23.807 8.198 1.00 0.00 C ATOM 209 CD1 TYR A 13 -5.380 25.103 8.730 1.00 0.00 C ATOM 210 CD2 TYR A 13 -4.436 22.900 8.284 1.00 0.00 C ATOM 211 CE1 TYR A 13 -4.180 25.495 9.356 1.00 0.00 C ATOM 212 CE2 TYR A 13 -3.234 23.288 8.906 1.00 0.00 C ATOM 213 CZ TYR A 13 -3.103 24.586 9.444 1.00 0.00 C ATOM 214 OH TYR A 13 -1.933 24.959 10.033 1.00 0.00 O ATOM 0 H TYR A 13 -8.092 21.387 9.104 1.00 0.00 H new ATOM 0 HA TYR A 13 -8.254 24.291 8.845 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.637 22.433 7.026 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.961 24.118 6.672 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.202 25.800 8.658 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.534 21.906 7.872 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.084 26.489 9.768 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.411 22.591 8.971 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.301 24.210 10.008 1.00 0.00 H new ATOM 224 N GLY A 14 -9.439 21.867 6.901 1.00 0.00 N ATOM 225 CA GLY A 14 -10.492 21.521 5.940 1.00 0.00 C ATOM 226 C GLY A 14 -9.964 20.697 4.764 1.00 0.00 C ATOM 227 O GLY A 14 -9.062 19.879 4.925 1.00 0.00 O ATOM 0 H GLY A 14 -8.835 21.080 7.138 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.275 20.960 6.450 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.950 22.435 5.562 1.00 0.00 H new ATOM 231 N LEU A 15 -10.549 20.895 3.581 1.00 0.00 N ATOM 232 CA LEU A 15 -10.137 20.286 2.309 1.00 0.00 C ATOM 233 C LEU A 15 -8.750 20.784 1.831 1.00 0.00 C ATOM 234 O LEU A 15 -8.654 21.838 1.194 1.00 0.00 O ATOM 235 CB LEU A 15 -11.211 20.589 1.241 1.00 0.00 C ATOM 236 CG LEU A 15 -12.652 20.196 1.604 1.00 0.00 C ATOM 237 CD1 LEU A 15 -13.569 20.492 0.420 1.00 0.00 C ATOM 238 CD2 LEU A 15 -12.747 18.723 1.986 1.00 0.00 C ATOM 0 H LEU A 15 -11.357 21.509 3.476 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.044 19.211 2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -11.190 21.657 1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.936 20.073 0.321 1.00 0.00 H new ATOM 0 HG LEU A 15 -12.964 20.782 2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -14.592 20.214 0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -13.529 21.556 0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -13.242 19.917 -0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -13.779 18.478 2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.422 18.108 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -12.108 18.529 2.848 1.00 0.00 H new ATOM 250 N LEU A 16 -7.679 20.032 2.120 1.00 0.00 N ATOM 251 CA LEU A 16 -6.287 20.370 1.759 1.00 0.00 C ATOM 252 C LEU A 16 -5.593 19.218 0.989 1.00 0.00 C ATOM 253 O LEU A 16 -5.887 18.047 1.255 1.00 0.00 O ATOM 254 CB LEU A 16 -5.476 20.726 3.033 1.00 0.00 C ATOM 255 CG LEU A 16 -5.506 22.178 3.558 1.00 0.00 C ATOM 256 CD1 LEU A 16 -4.966 23.193 2.548 1.00 0.00 C ATOM 257 CD2 LEU A 16 -6.877 22.659 4.023 1.00 0.00 C ATOM 0 H LEU A 16 -7.754 19.148 2.624 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.320 21.235 1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.825 20.078 3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.435 20.466 2.843 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.849 22.130 4.426 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.014 24.194 2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.931 22.951 2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.568 23.158 1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.802 23.688 4.374 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.581 22.610 3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.229 22.023 4.835 1.00 0.00 H new ATOM 269 N PRO A 17 -4.663 19.512 0.053 1.00 0.00 N ATOM 270 CA PRO A 17 -3.948 18.508 -0.748 1.00 0.00 C ATOM 271 C PRO A 17 -3.032 17.614 0.099 1.00 0.00 C ATOM 272 O PRO A 17 -2.182 18.105 0.849 1.00 0.00 O ATOM 273 CB PRO A 17 -3.154 19.305 -1.792 1.00 0.00 C ATOM 274 CG PRO A 17 -2.980 20.683 -1.169 1.00 0.00 C ATOM 275 CD PRO A 17 -4.251 20.853 -0.344 1.00 0.00 C ATOM 0 HA PRO A 17 -4.649 17.815 -1.213 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.191 18.839 -1.999 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.690 19.363 -2.739 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.086 20.734 -0.547 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.885 21.459 -1.928 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.067 21.478 0.530 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.031 21.343 -0.927 1.00 0.00 H new ATOM 283 N ILE A 18 -3.158 16.289 -0.061 1.00 0.00 N ATOM 284 CA ILE A 18 -2.344 15.291 0.656 1.00 0.00 C ATOM 285 C ILE A 18 -0.838 15.482 0.445 1.00 0.00 C ATOM 286 O ILE A 18 -0.061 15.342 1.390 1.00 0.00 O ATOM 287 CB ILE A 18 -2.783 13.853 0.294 1.00 0.00 C ATOM 288 CG1 ILE A 18 -2.132 12.829 1.249 1.00 0.00 C ATOM 289 CG2 ILE A 18 -2.526 13.487 -1.177 1.00 0.00 C ATOM 290 CD1 ILE A 18 -2.762 11.433 1.155 1.00 0.00 C ATOM 0 H ILE A 18 -3.836 15.873 -0.699 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.525 15.450 1.719 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.865 13.817 0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.068 12.757 1.024 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.217 13.191 2.273 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.858 12.465 -1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.078 14.169 -1.823 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.460 13.567 -1.391 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.260 10.760 1.850 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.820 11.494 1.408 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.653 11.052 0.139 1.00 0.00 H new ATOM 302 N GLY A 19 -0.413 15.871 -0.761 1.00 0.00 N ATOM 303 CA GLY A 19 1.008 16.014 -1.074 1.00 0.00 C ATOM 304 C GLY A 19 1.688 17.141 -0.296 1.00 0.00 C ATOM 305 O GLY A 19 2.849 17.008 0.084 1.00 0.00 O ATOM 0 H GLY A 19 -1.037 16.093 -1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.517 15.074 -0.858 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.121 16.200 -2.142 1.00 0.00 H new ATOM 309 N LYS A 20 0.951 18.214 0.030 1.00 0.00 N ATOM 310 CA LYS A 20 1.454 19.340 0.830 1.00 0.00 C ATOM 311 C LYS A 20 1.536 18.989 2.318 1.00 0.00 C ATOM 312 O LYS A 20 2.429 19.459 3.016 1.00 0.00 O ATOM 313 CB LYS A 20 0.562 20.568 0.578 1.00 0.00 C ATOM 314 CG LYS A 20 1.308 21.889 0.833 1.00 0.00 C ATOM 315 CD LYS A 20 0.455 23.116 0.462 1.00 0.00 C ATOM 316 CE LYS A 20 -0.622 23.461 1.503 1.00 0.00 C ATOM 317 NZ LYS A 20 -0.053 24.190 2.670 1.00 0.00 N ATOM 0 H LYS A 20 -0.021 18.325 -0.258 1.00 0.00 H new ATOM 0 HA LYS A 20 2.473 19.571 0.520 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.202 20.549 -0.451 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.315 20.517 1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.590 21.949 1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.231 21.901 0.254 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.111 23.977 0.333 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.027 22.935 -0.499 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.396 24.071 1.036 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.102 22.545 1.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.811 24.404 3.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.668 23.599 3.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.383 25.077 2.346 1.00 0.00 H new ATOM 331 N ILE A 21 0.644 18.115 2.794 1.00 0.00 N ATOM 332 CA ILE A 21 0.652 17.590 4.166 1.00 0.00 C ATOM 333 C ILE A 21 1.822 16.623 4.339 1.00 0.00 C ATOM 334 O ILE A 21 2.499 16.676 5.358 1.00 0.00 O ATOM 335 CB ILE A 21 -0.706 16.936 4.510 1.00 0.00 C ATOM 336 CG1 ILE A 21 -1.828 18.005 4.538 1.00 0.00 C ATOM 337 CG2 ILE A 21 -0.667 16.154 5.834 1.00 0.00 C ATOM 338 CD1 ILE A 21 -3.242 17.417 4.440 1.00 0.00 C ATOM 0 H ILE A 21 -0.119 17.745 2.227 1.00 0.00 H new ATOM 0 HA ILE A 21 0.791 18.411 4.869 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.921 16.212 3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.746 18.581 5.460 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.675 18.701 3.713 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.646 15.716 6.027 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.078 15.362 5.767 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.405 16.830 6.648 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.974 18.224 4.466 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.343 16.865 3.505 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.415 16.743 5.279 1.00 0.00 H new ATOM 350 N VAL A 22 2.100 15.781 3.344 1.00 0.00 N ATOM 351 CA VAL A 22 3.201 14.807 3.388 1.00 0.00 C ATOM 352 C VAL A 22 4.573 15.448 3.176 1.00 0.00 C ATOM 353 O VAL A 22 5.517 15.092 3.879 1.00 0.00 O ATOM 354 CB VAL A 22 2.930 13.678 2.382 1.00 0.00 C ATOM 355 CG1 VAL A 22 4.132 12.745 2.201 1.00 0.00 C ATOM 356 CG2 VAL A 22 1.729 12.860 2.888 1.00 0.00 C ATOM 0 H VAL A 22 1.566 15.752 2.476 1.00 0.00 H new ATOM 0 HA VAL A 22 3.235 14.384 4.392 1.00 0.00 H new ATOM 0 HB VAL A 22 2.728 14.132 1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.883 11.967 1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.985 13.317 1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.384 12.286 3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.518 12.052 2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.961 12.441 3.867 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.856 13.507 2.968 1.00 0.00 H new ATOM 366 N GLU A 23 4.710 16.419 2.268 1.00 0.00 N ATOM 367 CA GLU A 23 6.016 17.045 1.999 1.00 0.00 C ATOM 368 C GLU A 23 6.453 18.043 3.084 1.00 0.00 C ATOM 369 O GLU A 23 7.651 18.294 3.244 1.00 0.00 O ATOM 370 CB GLU A 23 6.042 17.674 0.599 1.00 0.00 C ATOM 371 CG GLU A 23 5.423 19.073 0.505 1.00 0.00 C ATOM 372 CD GLU A 23 5.294 19.592 -0.945 1.00 0.00 C ATOM 373 OE1 GLU A 23 6.010 19.109 -1.860 1.00 0.00 O ATOM 374 OE2 GLU A 23 4.506 20.542 -1.173 1.00 0.00 O ATOM 0 H GLU A 23 3.941 16.789 1.709 1.00 0.00 H new ATOM 0 HA GLU A 23 6.755 16.245 2.029 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.077 17.728 0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.515 17.013 -0.089 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.436 19.057 0.966 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.032 19.771 1.080 1.00 0.00 H new ATOM 381 N LYS A 24 5.493 18.572 3.862 1.00 0.00 N ATOM 382 CA LYS A 24 5.736 19.490 4.993 1.00 0.00 C ATOM 383 C LYS A 24 5.460 18.827 6.352 1.00 0.00 C ATOM 384 O LYS A 24 5.616 19.470 7.391 1.00 0.00 O ATOM 385 CB LYS A 24 4.910 20.783 4.823 1.00 0.00 C ATOM 386 CG LYS A 24 5.074 21.521 3.486 1.00 0.00 C ATOM 387 CD LYS A 24 6.522 21.930 3.175 1.00 0.00 C ATOM 388 CE LYS A 24 6.614 22.781 1.898 1.00 0.00 C ATOM 389 NZ LYS A 24 6.162 24.183 2.119 1.00 0.00 N ATOM 0 H LYS A 24 4.503 18.370 3.720 1.00 0.00 H new ATOM 0 HA LYS A 24 6.795 19.749 4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.856 20.536 4.951 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.177 21.468 5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.706 20.883 2.682 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.449 22.414 3.496 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.930 22.491 4.016 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.135 21.036 3.061 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.644 22.786 1.541 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.007 22.325 1.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.242 24.718 1.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.171 24.183 2.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.757 24.629 2.846 1.00 0.00 H new ATOM 403 N ARG A 25 5.087 17.537 6.335 1.00 0.00 N ATOM 404 CA ARG A 25 4.743 16.696 7.500 1.00 0.00 C ATOM 405 C ARG A 25 3.779 17.396 8.472 1.00 0.00 C ATOM 406 O ARG A 25 4.068 17.540 9.664 1.00 0.00 O ATOM 407 CB ARG A 25 6.013 16.150 8.179 1.00 0.00 C ATOM 408 CG ARG A 25 7.002 15.474 7.207 1.00 0.00 C ATOM 409 CD ARG A 25 8.181 16.375 6.799 1.00 0.00 C ATOM 410 NE ARG A 25 9.017 16.745 7.961 1.00 0.00 N ATOM 411 CZ ARG A 25 9.818 17.791 8.070 1.00 0.00 C ATOM 412 NH1 ARG A 25 10.030 18.616 7.081 1.00 0.00 N ATOM 413 NH2 ARG A 25 10.433 18.032 9.193 1.00 0.00 N ATOM 0 H ARG A 25 5.012 17.020 5.459 1.00 0.00 H new ATOM 0 HA ARG A 25 4.188 15.832 7.133 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.522 16.969 8.688 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.723 15.431 8.945 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.392 14.568 7.671 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.464 15.167 6.310 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.794 15.859 6.060 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.800 17.278 6.323 1.00 0.00 H new ATOM 0 HE ARG A 25 8.971 16.124 8.769 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.570 18.465 6.183 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.656 19.412 7.206 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.297 17.413 9.992 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.050 18.840 9.273 1.00 0.00 H new ATOM 427 N ILE A 26 2.669 17.922 7.940 1.00 0.00 N ATOM 428 CA ILE A 26 1.722 18.748 8.705 1.00 0.00 C ATOM 429 C ILE A 26 0.952 17.862 9.692 1.00 0.00 C ATOM 430 O ILE A 26 0.283 16.905 9.300 1.00 0.00 O ATOM 431 CB ILE A 26 0.787 19.562 7.779 1.00 0.00 C ATOM 432 CG1 ILE A 26 1.617 20.544 6.924 1.00 0.00 C ATOM 433 CG2 ILE A 26 -0.263 20.311 8.627 1.00 0.00 C ATOM 434 CD1 ILE A 26 0.861 21.214 5.767 1.00 0.00 C ATOM 0 H ILE A 26 2.400 17.788 6.965 1.00 0.00 H new ATOM 0 HA ILE A 26 2.280 19.488 9.278 1.00 0.00 H new ATOM 0 HB ILE A 26 0.263 18.886 7.104 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.012 21.323 7.577 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.473 20.008 6.514 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.919 20.883 7.971 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.854 19.591 9.194 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.242 20.988 9.316 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.534 21.883 5.231 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.490 20.450 5.084 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.022 21.785 6.163 1.00 0.00 H new ATOM 446 N GLU A 27 1.066 18.177 10.984 1.00 0.00 N ATOM 447 CA GLU A 27 0.342 17.499 12.066 1.00 0.00 C ATOM 448 C GLU A 27 -1.129 17.933 12.088 1.00 0.00 C ATOM 449 O GLU A 27 -1.458 19.046 12.510 1.00 0.00 O ATOM 450 CB GLU A 27 1.012 17.765 13.426 1.00 0.00 C ATOM 451 CG GLU A 27 2.329 16.996 13.572 1.00 0.00 C ATOM 452 CD GLU A 27 2.938 17.176 14.973 1.00 0.00 C ATOM 453 OE1 GLU A 27 3.400 18.296 15.306 1.00 0.00 O ATOM 454 OE2 GLU A 27 2.969 16.196 15.760 1.00 0.00 O ATOM 0 H GLU A 27 1.675 18.925 11.316 1.00 0.00 H new ATOM 0 HA GLU A 27 0.378 16.426 11.878 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.201 18.833 13.535 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.332 17.478 14.228 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.155 15.937 13.384 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.038 17.341 12.819 1.00 0.00 H new ATOM 461 N CYS A 28 -2.016 17.046 11.631 1.00 0.00 N ATOM 462 CA CYS A 28 -3.458 17.293 11.554 1.00 0.00 C ATOM 463 C CYS A 28 -4.309 16.045 11.845 1.00 0.00 C ATOM 464 O CYS A 28 -3.836 14.907 11.844 1.00 0.00 O ATOM 465 CB CYS A 28 -3.802 17.917 10.186 1.00 0.00 C ATOM 466 SG CYS A 28 -3.248 16.860 8.809 1.00 0.00 S ATOM 0 H CYS A 28 -1.748 16.120 11.298 1.00 0.00 H new ATOM 0 HA CYS A 28 -3.713 17.998 12.345 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.879 18.072 10.116 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.333 18.898 10.104 1.00 0.00 H new ATOM 0 HG CYS A 28 -1.950 16.780 8.818 1.00 0.00 H new ATOM 472 N THR A 29 -5.595 16.291 12.098 1.00 0.00 N ATOM 473 CA THR A 29 -6.619 15.269 12.375 1.00 0.00 C ATOM 474 C THR A 29 -7.417 14.975 11.103 1.00 0.00 C ATOM 475 O THR A 29 -7.694 15.894 10.332 1.00 0.00 O ATOM 476 CB THR A 29 -7.599 15.753 13.464 1.00 0.00 C ATOM 477 OG1 THR A 29 -6.988 16.630 14.388 1.00 0.00 O ATOM 478 CG2 THR A 29 -8.207 14.619 14.281 1.00 0.00 C ATOM 0 H THR A 29 -5.971 17.239 12.118 1.00 0.00 H new ATOM 0 HA THR A 29 -6.110 14.369 12.721 1.00 0.00 H new ATOM 0 HB THR A 29 -8.379 16.263 12.899 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.647 16.911 15.057 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.886 15.032 15.028 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.758 13.949 13.620 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.413 14.064 14.780 1.00 0.00 H new ATOM 486 N VAL A 30 -7.844 13.727 10.912 1.00 0.00 N ATOM 487 CA VAL A 30 -8.558 13.227 9.718 1.00 0.00 C ATOM 488 C VAL A 30 -9.849 12.496 10.112 1.00 0.00 C ATOM 489 O VAL A 30 -10.099 12.301 11.302 1.00 0.00 O ATOM 490 CB VAL A 30 -7.649 12.328 8.846 1.00 0.00 C ATOM 491 CG1 VAL A 30 -6.352 13.050 8.462 1.00 0.00 C ATOM 492 CG2 VAL A 30 -7.293 10.981 9.497 1.00 0.00 C ATOM 0 H VAL A 30 -7.700 12.998 11.611 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.834 14.092 9.115 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.241 12.115 7.956 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.736 12.391 7.850 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.591 13.951 7.898 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.806 13.322 9.365 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.654 10.409 8.824 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.766 11.158 10.435 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.206 10.420 9.694 1.00 0.00 H new ATOM 502 N TYR A 31 -10.643 12.058 9.129 1.00 0.00 N ATOM 503 CA TYR A 31 -11.925 11.363 9.306 1.00 0.00 C ATOM 504 C TYR A 31 -11.861 9.959 8.706 1.00 0.00 C ATOM 505 O TYR A 31 -11.252 9.756 7.653 1.00 0.00 O ATOM 506 CB TYR A 31 -13.077 12.137 8.641 1.00 0.00 C ATOM 507 CG TYR A 31 -13.475 13.438 9.313 1.00 0.00 C ATOM 508 CD1 TYR A 31 -12.737 14.618 9.089 1.00 0.00 C ATOM 509 CD2 TYR A 31 -14.624 13.473 10.127 1.00 0.00 C ATOM 510 CE1 TYR A 31 -13.122 15.816 9.726 1.00 0.00 C ATOM 511 CE2 TYR A 31 -15.036 14.677 10.728 1.00 0.00 C ATOM 512 CZ TYR A 31 -14.279 15.852 10.532 1.00 0.00 C ATOM 513 OH TYR A 31 -14.673 17.026 11.099 1.00 0.00 O ATOM 0 H TYR A 31 -10.400 12.183 8.146 1.00 0.00 H new ATOM 0 HA TYR A 31 -12.113 11.298 10.378 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -12.796 12.354 7.610 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -13.952 11.487 8.603 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -11.880 14.605 8.432 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -15.193 12.570 10.291 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.529 16.709 9.596 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -15.928 14.702 11.337 1.00 0.00 H new ATOM 0 HH TYR A 31 -15.488 16.879 11.622 1.00 0.00 H new ATOM 523 N SER A 32 -12.509 8.998 9.362 1.00 0.00 N ATOM 524 CA SER A 32 -12.515 7.579 8.994 1.00 0.00 C ATOM 525 C SER A 32 -13.773 6.889 9.541 1.00 0.00 C ATOM 526 O SER A 32 -14.334 7.329 10.548 1.00 0.00 O ATOM 527 CB SER A 32 -11.252 6.941 9.578 1.00 0.00 C ATOM 528 OG SER A 32 -11.257 5.531 9.410 1.00 0.00 O ATOM 0 H SER A 32 -13.065 9.191 10.195 1.00 0.00 H new ATOM 0 HA SER A 32 -12.526 7.467 7.910 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.372 7.363 9.093 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.178 7.182 10.638 1.00 0.00 H new ATOM 0 HG SER A 32 -11.007 5.310 8.489 1.00 0.00 H new ATOM 534 N VAL A 33 -14.231 5.814 8.888 1.00 0.00 N ATOM 535 CA VAL A 33 -15.374 5.006 9.353 1.00 0.00 C ATOM 536 C VAL A 33 -14.860 3.822 10.180 1.00 0.00 C ATOM 537 O VAL A 33 -14.017 3.047 9.723 1.00 0.00 O ATOM 538 CB VAL A 33 -16.269 4.489 8.206 1.00 0.00 C ATOM 539 CG1 VAL A 33 -17.698 4.342 8.721 1.00 0.00 C ATOM 540 CG2 VAL A 33 -16.319 5.398 6.969 1.00 0.00 C ATOM 0 H VAL A 33 -13.820 5.476 8.018 1.00 0.00 H new ATOM 0 HA VAL A 33 -15.996 5.662 9.961 1.00 0.00 H new ATOM 0 HB VAL A 33 -15.826 3.544 7.893 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -18.338 3.977 7.918 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -17.715 3.633 9.549 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -18.062 5.310 9.064 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -16.971 4.954 6.217 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -16.706 6.377 7.252 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -15.315 5.509 6.558 1.00 0.00 H new ATOM 550 N ASP A 34 -15.360 3.686 11.408 1.00 0.00 N ATOM 551 CA ASP A 34 -15.011 2.600 12.326 1.00 0.00 C ATOM 552 C ASP A 34 -15.591 1.243 11.880 1.00 0.00 C ATOM 553 O ASP A 34 -16.379 1.139 10.936 1.00 0.00 O ATOM 554 CB ASP A 34 -15.504 2.955 13.742 1.00 0.00 C ATOM 555 CG ASP A 34 -14.796 2.175 14.863 1.00 0.00 C ATOM 556 OD1 ASP A 34 -13.550 2.044 14.832 1.00 0.00 O ATOM 557 OD2 ASP A 34 -15.503 1.645 15.753 1.00 0.00 O ATOM 0 H ASP A 34 -16.034 4.342 11.802 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.926 2.493 12.323 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.360 4.022 13.909 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.576 2.765 13.801 1.00 0.00 H new ATOM 562 N ASN A 35 -15.250 0.198 12.631 1.00 0.00 N ATOM 563 CA ASN A 35 -15.718 -1.181 12.417 1.00 0.00 C ATOM 564 C ASN A 35 -17.255 -1.320 12.508 1.00 0.00 C ATOM 565 O ASN A 35 -17.845 -2.199 11.875 1.00 0.00 O ATOM 566 CB ASN A 35 -15.035 -2.105 13.442 1.00 0.00 C ATOM 567 CG ASN A 35 -13.516 -2.084 13.356 1.00 0.00 C ATOM 568 OD1 ASN A 35 -12.920 -2.330 12.315 1.00 0.00 O ATOM 569 ND2 ASN A 35 -12.840 -1.786 14.443 1.00 0.00 N ATOM 0 H ASN A 35 -14.622 0.284 13.430 1.00 0.00 H new ATOM 0 HA ASN A 35 -15.446 -1.469 11.401 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -15.339 -1.809 14.446 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -15.386 -3.126 13.291 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.821 -1.760 14.419 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.335 -1.581 15.311 1.00 0.00 H new ATOM 576 N ASN A 36 -17.904 -0.434 13.275 1.00 0.00 N ATOM 577 CA ASN A 36 -19.359 -0.361 13.455 1.00 0.00 C ATOM 578 C ASN A 36 -20.073 0.482 12.372 1.00 0.00 C ATOM 579 O ASN A 36 -21.296 0.637 12.415 1.00 0.00 O ATOM 580 CB ASN A 36 -19.631 0.223 14.856 1.00 0.00 C ATOM 581 CG ASN A 36 -19.049 -0.624 15.978 1.00 0.00 C ATOM 582 OD1 ASN A 36 -19.484 -1.740 16.235 1.00 0.00 O ATOM 583 ND2 ASN A 36 -18.053 -0.135 16.684 1.00 0.00 N ATOM 0 H ASN A 36 -17.409 0.280 13.809 1.00 0.00 H new ATOM 0 HA ASN A 36 -19.766 -1.367 13.356 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -19.212 1.228 14.912 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -20.707 0.318 15.001 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -17.647 -0.684 17.441 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -17.687 0.794 16.474 1.00 0.00 H new ATOM 590 N GLY A 37 -19.328 1.082 11.434 1.00 0.00 N ATOM 591 CA GLY A 37 -19.850 2.012 10.423 1.00 0.00 C ATOM 592 C GLY A 37 -20.161 3.423 10.951 1.00 0.00 C ATOM 593 O GLY A 37 -20.915 4.168 10.319 1.00 0.00 O ATOM 0 H GLY A 37 -18.322 0.931 11.355 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -19.124 2.093 9.614 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -20.759 1.590 9.995 1.00 0.00 H new ATOM 597 N ASN A 38 -19.592 3.797 12.105 1.00 0.00 N ATOM 598 CA ASN A 38 -19.667 5.145 12.684 1.00 0.00 C ATOM 599 C ASN A 38 -18.437 5.958 12.251 1.00 0.00 C ATOM 600 O ASN A 38 -17.305 5.496 12.401 1.00 0.00 O ATOM 601 CB ASN A 38 -19.717 5.036 14.222 1.00 0.00 C ATOM 602 CG ASN A 38 -21.113 4.784 14.769 1.00 0.00 C ATOM 603 OD1 ASN A 38 -21.686 5.604 15.474 1.00 0.00 O ATOM 604 ND2 ASN A 38 -21.714 3.654 14.466 1.00 0.00 N ATOM 0 H ASN A 38 -19.051 3.150 12.679 1.00 0.00 H new ATOM 0 HA ASN A 38 -20.567 5.649 12.331 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -19.059 4.228 14.542 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -19.326 5.956 14.656 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -22.652 3.465 14.818 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -21.242 2.967 13.879 1.00 0.00 H new ATOM 611 N ILE A 39 -18.633 7.171 11.731 1.00 0.00 N ATOM 612 CA ILE A 39 -17.539 8.082 11.392 1.00 0.00 C ATOM 613 C ILE A 39 -16.965 8.675 12.685 1.00 0.00 C ATOM 614 O ILE A 39 -17.702 9.125 13.568 1.00 0.00 O ATOM 615 CB ILE A 39 -18.005 9.180 10.412 1.00 0.00 C ATOM 616 CG1 ILE A 39 -18.623 8.539 9.145 1.00 0.00 C ATOM 617 CG2 ILE A 39 -16.813 10.081 10.031 1.00 0.00 C ATOM 618 CD1 ILE A 39 -19.172 9.556 8.143 1.00 0.00 C ATOM 0 H ILE A 39 -19.559 7.550 11.533 1.00 0.00 H new ATOM 0 HA ILE A 39 -16.752 7.528 10.880 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.767 9.790 10.897 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -17.866 7.929 8.652 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -19.428 7.867 9.445 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.148 10.854 9.339 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -16.408 10.548 10.929 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.039 9.479 9.555 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -19.588 9.031 7.283 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -19.953 10.150 8.618 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -18.367 10.213 7.813 1.00 0.00 H new ATOM 630 N TYR A 40 -15.639 8.693 12.766 1.00 0.00 N ATOM 631 CA TYR A 40 -14.859 9.274 13.861 1.00 0.00 C ATOM 632 C TYR A 40 -13.632 10.041 13.340 1.00 0.00 C ATOM 633 O TYR A 40 -13.260 9.925 12.167 1.00 0.00 O ATOM 634 CB TYR A 40 -14.464 8.173 14.862 1.00 0.00 C ATOM 635 CG TYR A 40 -13.346 7.234 14.425 1.00 0.00 C ATOM 636 CD1 TYR A 40 -13.604 6.184 13.517 1.00 0.00 C ATOM 637 CD2 TYR A 40 -12.052 7.386 14.963 1.00 0.00 C ATOM 638 CE1 TYR A 40 -12.575 5.299 13.144 1.00 0.00 C ATOM 639 CE2 TYR A 40 -11.026 6.486 14.610 1.00 0.00 C ATOM 640 CZ TYR A 40 -11.286 5.437 13.701 1.00 0.00 C ATOM 641 OH TYR A 40 -10.305 4.549 13.384 1.00 0.00 O ATOM 0 H TYR A 40 -15.049 8.286 12.040 1.00 0.00 H new ATOM 0 HA TYR A 40 -15.480 10.004 14.380 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.165 8.650 15.795 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.349 7.574 15.079 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.595 6.059 13.107 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -11.846 8.195 15.648 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -12.772 4.513 12.430 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -10.040 6.599 15.035 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.432 4.991 13.444 1.00 0.00 H new ATOM 651 N THR A 41 -12.994 10.815 14.223 1.00 0.00 N ATOM 652 CA THR A 41 -11.791 11.605 13.921 1.00 0.00 C ATOM 653 C THR A 41 -10.577 11.136 14.721 1.00 0.00 C ATOM 654 O THR A 41 -10.696 10.715 15.876 1.00 0.00 O ATOM 655 CB THR A 41 -12.000 13.115 14.147 1.00 0.00 C ATOM 656 OG1 THR A 41 -12.644 13.383 15.378 1.00 0.00 O ATOM 657 CG2 THR A 41 -12.839 13.739 13.038 1.00 0.00 C ATOM 0 H THR A 41 -13.304 10.914 15.190 1.00 0.00 H new ATOM 0 HA THR A 41 -11.598 11.441 12.861 1.00 0.00 H new ATOM 0 HB THR A 41 -11.002 13.552 14.152 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.756 14.351 15.484 1.00 0.00 H new ATOM 0 HG21 THR A 41 -12.965 14.804 13.232 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.337 13.602 12.081 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.817 13.258 13.007 1.00 0.00 H new ATOM 665 N GLN A 42 -9.396 11.207 14.099 1.00 0.00 N ATOM 666 CA GLN A 42 -8.129 10.739 14.678 1.00 0.00 C ATOM 667 C GLN A 42 -6.902 11.485 14.112 1.00 0.00 C ATOM 668 O GLN A 42 -6.935 11.903 12.952 1.00 0.00 O ATOM 669 CB GLN A 42 -8.002 9.223 14.445 1.00 0.00 C ATOM 670 CG GLN A 42 -7.955 8.792 12.966 1.00 0.00 C ATOM 671 CD GLN A 42 -8.001 7.270 12.812 1.00 0.00 C ATOM 672 OE1 GLN A 42 -7.614 6.505 13.687 1.00 0.00 O ATOM 673 NE2 GLN A 42 -8.465 6.774 11.685 1.00 0.00 N ATOM 0 H GLN A 42 -9.290 11.598 13.163 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.147 10.954 15.747 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.097 8.869 14.940 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.844 8.725 14.926 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.795 9.236 12.432 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.045 9.176 12.505 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.790 7.400 10.948 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.499 5.764 11.548 1.00 0.00 H new ATOM 682 N PRO A 43 -5.823 11.675 14.897 1.00 0.00 N ATOM 683 CA PRO A 43 -4.615 12.358 14.437 1.00 0.00 C ATOM 684 C PRO A 43 -3.780 11.496 13.472 1.00 0.00 C ATOM 685 O PRO A 43 -3.748 10.265 13.576 1.00 0.00 O ATOM 686 CB PRO A 43 -3.830 12.681 15.714 1.00 0.00 C ATOM 687 CG PRO A 43 -4.237 11.570 16.677 1.00 0.00 C ATOM 688 CD PRO A 43 -5.692 11.297 16.301 1.00 0.00 C ATOM 0 HA PRO A 43 -4.865 13.252 13.866 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.755 12.682 15.534 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.088 13.665 16.105 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.616 10.683 16.554 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.142 11.883 17.717 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.942 10.246 16.447 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.372 11.876 16.926 1.00 0.00 H new ATOM 696 N VAL A 44 -3.064 12.154 12.555 1.00 0.00 N ATOM 697 CA VAL A 44 -2.029 11.526 11.713 1.00 0.00 C ATOM 698 C VAL A 44 -0.929 10.900 12.586 1.00 0.00 C ATOM 699 O VAL A 44 -0.521 11.477 13.601 1.00 0.00 O ATOM 700 CB VAL A 44 -1.462 12.547 10.699 1.00 0.00 C ATOM 701 CG1 VAL A 44 -0.702 13.717 11.338 1.00 0.00 C ATOM 702 CG2 VAL A 44 -0.543 11.885 9.670 1.00 0.00 C ATOM 0 H VAL A 44 -3.185 13.150 12.371 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.481 10.718 11.138 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.350 12.949 10.212 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.338 14.385 10.557 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.370 14.265 12.002 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.143 13.333 11.910 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.168 12.639 8.978 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.296 11.413 10.182 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.101 11.130 9.116 1.00 0.00 H new ATOM 712 N ALA A 45 -0.437 9.722 12.195 1.00 0.00 N ATOM 713 CA ALA A 45 0.637 9.009 12.894 1.00 0.00 C ATOM 714 C ALA A 45 2.003 9.168 12.201 1.00 0.00 C ATOM 715 O ALA A 45 3.039 9.152 12.871 1.00 0.00 O ATOM 716 CB ALA A 45 0.245 7.530 12.999 1.00 0.00 C ATOM 0 H ALA A 45 -0.779 9.228 11.371 1.00 0.00 H new ATOM 0 HA ALA A 45 0.754 9.443 13.887 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.032 6.981 13.517 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.688 7.439 13.556 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.112 7.117 11.999 1.00 0.00 H new ATOM 722 N GLN A 46 2.007 9.312 10.869 1.00 0.00 N ATOM 723 CA GLN A 46 3.201 9.439 10.017 1.00 0.00 C ATOM 724 C GLN A 46 2.849 9.889 8.586 1.00 0.00 C ATOM 725 O GLN A 46 1.677 9.975 8.220 1.00 0.00 O ATOM 726 CB GLN A 46 4.013 8.133 10.021 1.00 0.00 C ATOM 727 CG GLN A 46 3.232 6.839 9.755 1.00 0.00 C ATOM 728 CD GLN A 46 3.941 5.662 10.413 1.00 0.00 C ATOM 729 OE1 GLN A 46 4.603 4.846 9.784 1.00 0.00 O ATOM 730 NE2 GLN A 46 3.866 5.565 11.724 1.00 0.00 N ATOM 0 H GLN A 46 1.141 9.345 10.331 1.00 0.00 H new ATOM 0 HA GLN A 46 3.826 10.225 10.441 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.798 8.218 9.270 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.506 8.041 10.989 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.218 6.929 10.145 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.146 6.670 8.682 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.317 6.241 12.255 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.357 4.814 12.209 1.00 0.00 H new ATOM 739 N TRP A 47 3.866 10.133 7.755 1.00 0.00 N ATOM 740 CA TRP A 47 3.727 10.608 6.373 1.00 0.00 C ATOM 741 C TRP A 47 4.649 9.786 5.458 1.00 0.00 C ATOM 742 O TRP A 47 5.859 9.723 5.697 1.00 0.00 O ATOM 743 CB TRP A 47 4.078 12.107 6.310 1.00 0.00 C ATOM 744 CG TRP A 47 3.325 13.020 7.235 1.00 0.00 C ATOM 745 CD1 TRP A 47 2.272 13.807 6.908 1.00 0.00 C ATOM 746 CD2 TRP A 47 3.579 13.273 8.651 1.00 0.00 C ATOM 747 NE1 TRP A 47 1.839 14.502 8.019 1.00 0.00 N ATOM 748 CE2 TRP A 47 2.600 14.196 9.127 1.00 0.00 C ATOM 749 CE3 TRP A 47 4.544 12.821 9.580 1.00 0.00 C ATOM 750 CZ2 TRP A 47 2.567 14.618 10.462 1.00 0.00 C ATOM 751 CZ3 TRP A 47 4.508 13.232 10.926 1.00 0.00 C ATOM 752 CH2 TRP A 47 3.515 14.122 11.370 1.00 0.00 C ATOM 0 H TRP A 47 4.839 10.002 8.032 1.00 0.00 H new ATOM 0 HA TRP A 47 2.699 10.480 6.033 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.142 12.215 6.518 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.917 12.451 5.288 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.836 13.880 5.923 1.00 0.00 H new ATOM 0 HE1 TRP A 47 1.057 15.157 8.020 1.00 0.00 H new ATOM 0 HE3 TRP A 47 5.323 12.149 9.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.816 15.321 10.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 5.247 12.862 11.621 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.482 14.423 12.407 1.00 0.00 H new ATOM 763 N HIS A 48 4.092 9.162 4.414 1.00 0.00 N ATOM 764 CA HIS A 48 4.840 8.338 3.455 1.00 0.00 C ATOM 765 C HIS A 48 4.840 8.986 2.060 1.00 0.00 C ATOM 766 O HIS A 48 3.795 9.338 1.505 1.00 0.00 O ATOM 767 CB HIS A 48 4.268 6.912 3.370 1.00 0.00 C ATOM 768 CG HIS A 48 4.072 6.201 4.685 1.00 0.00 C ATOM 769 ND1 HIS A 48 5.051 5.617 5.460 1.00 0.00 N ATOM 770 CD2 HIS A 48 2.869 5.921 5.279 1.00 0.00 C ATOM 771 CE1 HIS A 48 4.453 4.998 6.494 1.00 0.00 C ATOM 772 NE2 HIS A 48 3.117 5.155 6.427 1.00 0.00 N ATOM 0 H HIS A 48 3.095 9.215 4.208 1.00 0.00 H new ATOM 0 HA HIS A 48 5.867 8.273 3.816 1.00 0.00 H new ATOM 0 HB2 HIS A 48 3.307 6.957 2.857 1.00 0.00 H new ATOM 0 HB3 HIS A 48 4.933 6.311 2.750 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.899 6.236 4.924 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.971 4.452 7.269 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.424 4.790 7.081 1.00 0.00 H new ATOM 780 N ASP A 49 6.034 9.113 1.483 1.00 0.00 N ATOM 781 CA ASP A 49 6.290 9.746 0.189 1.00 0.00 C ATOM 782 C ASP A 49 6.934 8.736 -0.773 1.00 0.00 C ATOM 783 O ASP A 49 8.104 8.364 -0.656 1.00 0.00 O ATOM 784 CB ASP A 49 7.110 11.036 0.371 1.00 0.00 C ATOM 785 CG ASP A 49 8.542 10.826 0.905 1.00 0.00 C ATOM 786 OD1 ASP A 49 8.714 10.359 2.059 1.00 0.00 O ATOM 787 OD2 ASP A 49 9.511 11.187 0.191 1.00 0.00 O ATOM 0 H ASP A 49 6.885 8.763 1.922 1.00 0.00 H new ATOM 0 HA ASP A 49 5.348 10.051 -0.267 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.167 11.551 -0.588 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.576 11.695 1.055 1.00 0.00 H new ATOM 792 N ARG A 50 6.116 8.238 -1.706 1.00 0.00 N ATOM 793 CA ARG A 50 6.485 7.189 -2.671 1.00 0.00 C ATOM 794 C ARG A 50 7.431 7.689 -3.763 1.00 0.00 C ATOM 795 O ARG A 50 8.234 6.922 -4.295 1.00 0.00 O ATOM 796 CB ARG A 50 5.207 6.651 -3.306 1.00 0.00 C ATOM 797 CG ARG A 50 4.188 6.103 -2.287 1.00 0.00 C ATOM 798 CD ARG A 50 4.724 5.006 -1.355 1.00 0.00 C ATOM 799 NE ARG A 50 5.223 3.831 -2.101 1.00 0.00 N ATOM 800 CZ ARG A 50 5.601 2.667 -1.607 1.00 0.00 C ATOM 801 NH1 ARG A 50 5.548 2.387 -0.335 1.00 0.00 N ATOM 802 NH2 ARG A 50 6.042 1.748 -2.416 1.00 0.00 N ATOM 0 H ARG A 50 5.154 8.559 -1.816 1.00 0.00 H new ATOM 0 HA ARG A 50 7.019 6.408 -2.130 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.737 7.447 -3.884 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.467 5.858 -4.008 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.826 6.931 -1.678 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.330 5.709 -2.831 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.529 5.413 -0.743 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.933 4.692 -0.674 1.00 0.00 H new ATOM 0 HE ARG A 50 5.282 3.932 -3.114 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.203 3.083 0.326 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.852 1.472 -0.001 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.092 1.932 -3.418 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.338 0.844 -2.048 1.00 0.00 H new ATOM 816 N GLY A 51 7.318 8.974 -4.098 1.00 0.00 N ATOM 817 CA GLY A 51 8.220 9.695 -4.995 1.00 0.00 C ATOM 818 C GLY A 51 7.768 9.686 -6.455 1.00 0.00 C ATOM 819 O GLY A 51 7.633 10.757 -7.038 1.00 0.00 O ATOM 0 H GLY A 51 6.567 9.563 -3.738 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.306 10.728 -4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.214 9.253 -4.929 1.00 0.00 H new ATOM 823 N GLU A 52 7.491 8.511 -7.036 1.00 0.00 N ATOM 824 CA GLU A 52 7.135 8.333 -8.459 1.00 0.00 C ATOM 825 C GLU A 52 6.663 6.891 -8.714 1.00 0.00 C ATOM 826 O GLU A 52 7.477 5.966 -8.772 1.00 0.00 O ATOM 827 CB GLU A 52 8.320 8.578 -9.421 1.00 0.00 C ATOM 828 CG GLU A 52 8.673 10.035 -9.742 1.00 0.00 C ATOM 829 CD GLU A 52 9.586 10.128 -10.980 1.00 0.00 C ATOM 830 OE1 GLU A 52 10.759 9.686 -10.909 1.00 0.00 O ATOM 831 OE2 GLU A 52 9.154 10.661 -12.032 1.00 0.00 O ATOM 0 H GLU A 52 7.507 7.632 -6.519 1.00 0.00 H new ATOM 0 HA GLU A 52 6.353 9.067 -8.654 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.204 8.102 -8.996 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.104 8.068 -10.360 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.759 10.603 -9.917 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.171 10.489 -8.885 1.00 0.00 H new ATOM 838 N GLN A 53 5.356 6.691 -8.893 1.00 0.00 N ATOM 839 CA GLN A 53 4.766 5.397 -9.273 1.00 0.00 C ATOM 840 C GLN A 53 3.754 5.531 -10.422 1.00 0.00 C ATOM 841 O GLN A 53 3.375 6.634 -10.809 1.00 0.00 O ATOM 842 CB GLN A 53 4.131 4.772 -8.026 1.00 0.00 C ATOM 843 CG GLN A 53 5.183 4.627 -6.913 1.00 0.00 C ATOM 844 CD GLN A 53 4.676 3.996 -5.638 1.00 0.00 C ATOM 845 OE1 GLN A 53 5.374 3.265 -4.946 1.00 0.00 O ATOM 846 NE2 GLN A 53 3.520 4.401 -5.168 1.00 0.00 N ATOM 0 H GLN A 53 4.664 7.431 -8.777 1.00 0.00 H new ATOM 0 HA GLN A 53 5.552 4.744 -9.652 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.306 5.393 -7.678 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.713 3.796 -8.272 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.012 4.030 -7.292 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.582 5.614 -6.679 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.926 5.010 -5.731 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.215 4.107 -4.240 1.00 0.00 H new ATOM 855 N GLU A 54 3.345 4.403 -11.005 1.00 0.00 N ATOM 856 CA GLU A 54 2.459 4.336 -12.177 1.00 0.00 C ATOM 857 C GLU A 54 1.014 4.789 -11.878 1.00 0.00 C ATOM 858 O GLU A 54 0.213 4.044 -11.308 1.00 0.00 O ATOM 859 CB GLU A 54 2.539 2.932 -12.818 1.00 0.00 C ATOM 860 CG GLU A 54 2.242 1.735 -11.894 1.00 0.00 C ATOM 861 CD GLU A 54 2.607 0.407 -12.586 1.00 0.00 C ATOM 862 OE1 GLU A 54 3.771 -0.047 -12.454 1.00 0.00 O ATOM 863 OE2 GLU A 54 1.739 -0.196 -13.264 1.00 0.00 O ATOM 0 H GLU A 54 3.627 3.482 -10.668 1.00 0.00 H new ATOM 0 HA GLU A 54 2.817 5.060 -12.909 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.841 2.899 -13.654 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.539 2.803 -13.232 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.808 1.835 -10.968 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.186 1.731 -11.624 1.00 0.00 H new ATOM 870 N VAL A 55 0.677 6.028 -12.254 1.00 0.00 N ATOM 871 CA VAL A 55 -0.632 6.659 -12.005 1.00 0.00 C ATOM 872 C VAL A 55 -1.576 6.484 -13.196 1.00 0.00 C ATOM 873 O VAL A 55 -1.209 6.682 -14.357 1.00 0.00 O ATOM 874 CB VAL A 55 -0.479 8.157 -11.670 1.00 0.00 C ATOM 875 CG1 VAL A 55 -1.810 8.840 -11.334 1.00 0.00 C ATOM 876 CG2 VAL A 55 0.410 8.341 -10.435 1.00 0.00 C ATOM 0 H VAL A 55 1.322 6.639 -12.754 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.068 6.153 -11.144 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.050 8.607 -12.565 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.633 9.891 -11.108 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.485 8.761 -12.186 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.260 8.354 -10.468 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.508 9.403 -10.212 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.041 7.832 -9.583 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.396 7.919 -10.630 1.00 0.00 H new ATOM 886 N PHE A 56 -2.833 6.183 -12.878 1.00 0.00 N ATOM 887 CA PHE A 56 -3.935 6.018 -13.821 1.00 0.00 C ATOM 888 C PHE A 56 -5.050 7.029 -13.516 1.00 0.00 C ATOM 889 O PHE A 56 -5.324 7.366 -12.359 1.00 0.00 O ATOM 890 CB PHE A 56 -4.455 4.572 -13.747 1.00 0.00 C ATOM 891 CG PHE A 56 -3.479 3.531 -14.271 1.00 0.00 C ATOM 892 CD1 PHE A 56 -2.367 3.139 -13.501 1.00 0.00 C ATOM 893 CD2 PHE A 56 -3.672 2.966 -15.546 1.00 0.00 C ATOM 894 CE1 PHE A 56 -1.425 2.236 -14.023 1.00 0.00 C ATOM 895 CE2 PHE A 56 -2.742 2.043 -16.059 1.00 0.00 C ATOM 896 CZ PHE A 56 -1.602 1.702 -15.310 1.00 0.00 C ATOM 0 H PHE A 56 -3.124 6.041 -11.911 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.584 6.209 -14.835 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.697 4.337 -12.710 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.383 4.502 -14.315 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.237 3.534 -12.504 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.536 3.242 -16.132 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.565 1.953 -13.434 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.904 1.596 -17.029 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.864 1.031 -15.723 1.00 0.00 H new ATOM 906 N GLU A 57 -5.699 7.521 -14.570 1.00 0.00 N ATOM 907 CA GLU A 57 -6.902 8.343 -14.467 1.00 0.00 C ATOM 908 C GLU A 57 -8.052 7.544 -13.832 1.00 0.00 C ATOM 909 O GLU A 57 -8.339 6.416 -14.244 1.00 0.00 O ATOM 910 CB GLU A 57 -7.290 8.821 -15.876 1.00 0.00 C ATOM 911 CG GLU A 57 -8.501 9.760 -15.870 1.00 0.00 C ATOM 912 CD GLU A 57 -8.775 10.302 -17.283 1.00 0.00 C ATOM 913 OE1 GLU A 57 -9.448 9.615 -18.089 1.00 0.00 O ATOM 914 OE2 GLU A 57 -8.312 11.430 -17.583 1.00 0.00 O ATOM 0 H GLU A 57 -5.400 7.357 -15.531 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.705 9.203 -13.827 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.441 9.333 -16.328 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.510 7.955 -16.501 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.378 9.228 -15.503 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.321 10.589 -15.185 1.00 0.00 H new ATOM 921 N TYR A 58 -8.745 8.161 -12.877 1.00 0.00 N ATOM 922 CA TYR A 58 -9.931 7.631 -12.218 1.00 0.00 C ATOM 923 C TYR A 58 -11.050 8.679 -12.318 1.00 0.00 C ATOM 924 O TYR A 58 -11.255 9.513 -11.434 1.00 0.00 O ATOM 925 CB TYR A 58 -9.550 7.195 -10.791 1.00 0.00 C ATOM 926 CG TYR A 58 -10.683 6.805 -9.859 1.00 0.00 C ATOM 927 CD1 TYR A 58 -11.915 6.357 -10.370 1.00 0.00 C ATOM 928 CD2 TYR A 58 -10.479 6.837 -8.463 1.00 0.00 C ATOM 929 CE1 TYR A 58 -12.936 5.962 -9.496 1.00 0.00 C ATOM 930 CE2 TYR A 58 -11.516 6.468 -7.582 1.00 0.00 C ATOM 931 CZ TYR A 58 -12.756 6.048 -8.108 1.00 0.00 C ATOM 932 OH TYR A 58 -13.790 5.717 -7.298 1.00 0.00 O ATOM 0 H TYR A 58 -8.482 9.083 -12.528 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.323 6.735 -12.699 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.868 6.348 -10.867 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.995 8.010 -10.326 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.074 6.318 -11.438 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.523 7.146 -8.067 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.868 5.589 -9.894 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -11.363 6.506 -6.514 1.00 0.00 H new ATOM 0 HH TYR A 58 -14.344 5.037 -7.736 1.00 0.00 H new ATOM 942 N CYS A 59 -11.745 8.677 -13.460 1.00 0.00 N ATOM 943 CA CYS A 59 -12.872 9.568 -13.733 1.00 0.00 C ATOM 944 C CYS A 59 -14.210 8.856 -13.472 1.00 0.00 C ATOM 945 O CYS A 59 -14.345 7.647 -13.686 1.00 0.00 O ATOM 946 CB CYS A 59 -12.758 10.058 -15.182 1.00 0.00 C ATOM 947 SG CYS A 59 -13.935 11.408 -15.497 1.00 0.00 S ATOM 0 H CYS A 59 -11.535 8.045 -14.232 1.00 0.00 H new ATOM 0 HA CYS A 59 -12.843 10.427 -13.062 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.742 10.402 -15.376 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.952 9.232 -15.867 1.00 0.00 H new ATOM 0 HG CYS A 59 -14.259 11.972 -14.372 1.00 0.00 H new ATOM 953 N LEU A 60 -15.212 9.619 -13.034 1.00 0.00 N ATOM 954 CA LEU A 60 -16.534 9.129 -12.632 1.00 0.00 C ATOM 955 C LEU A 60 -17.651 9.658 -13.537 1.00 0.00 C ATOM 956 O LEU A 60 -17.529 10.701 -14.180 1.00 0.00 O ATOM 957 CB LEU A 60 -16.786 9.540 -11.167 1.00 0.00 C ATOM 958 CG LEU A 60 -16.816 8.407 -10.133 1.00 0.00 C ATOM 959 CD1 LEU A 60 -15.648 7.445 -10.227 1.00 0.00 C ATOM 960 CD2 LEU A 60 -16.776 8.999 -8.728 1.00 0.00 C ATOM 0 H LEU A 60 -15.124 10.631 -12.946 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.544 8.043 -12.729 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.012 10.249 -10.874 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.737 10.070 -11.120 1.00 0.00 H new ATOM 0 HG LEU A 60 -17.732 7.855 -10.341 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.747 6.676 -9.461 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.640 6.977 -11.212 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.716 7.989 -10.076 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.797 8.194 -7.993 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.862 9.580 -8.604 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.640 9.647 -8.581 1.00 0.00 H new ATOM 972 N GLU A 61 -18.772 8.938 -13.535 1.00 0.00 N ATOM 973 CA GLU A 61 -19.923 9.222 -14.412 1.00 0.00 C ATOM 974 C GLU A 61 -20.672 10.526 -14.058 1.00 0.00 C ATOM 975 O GLU A 61 -21.388 11.077 -14.896 1.00 0.00 O ATOM 976 CB GLU A 61 -20.880 8.014 -14.457 1.00 0.00 C ATOM 977 CG GLU A 61 -21.453 7.605 -13.100 1.00 0.00 C ATOM 978 CD GLU A 61 -22.906 7.113 -13.238 1.00 0.00 C ATOM 979 OE1 GLU A 61 -23.843 7.948 -13.189 1.00 0.00 O ATOM 980 OE2 GLU A 61 -23.125 5.888 -13.410 1.00 0.00 O ATOM 0 H GLU A 61 -18.915 8.134 -12.923 1.00 0.00 H new ATOM 0 HA GLU A 61 -19.515 9.388 -15.409 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -21.705 8.246 -15.130 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -20.350 7.163 -14.884 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -20.839 6.817 -12.665 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -21.416 8.453 -12.416 1.00 0.00 H new ATOM 987 N ASP A 62 -20.483 11.052 -12.839 1.00 0.00 N ATOM 988 CA ASP A 62 -20.993 12.367 -12.419 1.00 0.00 C ATOM 989 C ASP A 62 -20.154 13.537 -12.971 1.00 0.00 C ATOM 990 O ASP A 62 -20.679 14.635 -13.182 1.00 0.00 O ATOM 991 CB ASP A 62 -21.020 12.414 -10.886 1.00 0.00 C ATOM 992 CG ASP A 62 -21.566 13.747 -10.347 1.00 0.00 C ATOM 993 OD1 ASP A 62 -22.800 13.967 -10.415 1.00 0.00 O ATOM 994 OD2 ASP A 62 -20.771 14.567 -9.829 1.00 0.00 O ATOM 0 H ASP A 62 -19.964 10.569 -12.106 1.00 0.00 H new ATOM 0 HA ASP A 62 -21.996 12.487 -12.828 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -21.635 11.595 -10.511 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -20.012 12.257 -10.503 1.00 0.00 H new ATOM 999 N GLY A 63 -18.856 13.306 -13.215 1.00 0.00 N ATOM 1000 CA GLY A 63 -17.893 14.301 -13.704 1.00 0.00 C ATOM 1001 C GLY A 63 -16.662 14.482 -12.805 1.00 0.00 C ATOM 1002 O GLY A 63 -15.710 15.154 -13.209 1.00 0.00 O ATOM 0 H GLY A 63 -18.434 12.389 -13.072 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -17.561 14.009 -14.701 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -18.399 15.261 -13.805 1.00 0.00 H new ATOM 1006 N SER A 64 -16.661 13.898 -11.597 1.00 0.00 N ATOM 1007 CA SER A 64 -15.515 13.919 -10.675 1.00 0.00 C ATOM 1008 C SER A 64 -14.265 13.277 -11.291 1.00 0.00 C ATOM 1009 O SER A 64 -14.355 12.358 -12.114 1.00 0.00 O ATOM 1010 CB SER A 64 -15.856 13.205 -9.358 1.00 0.00 C ATOM 1011 OG SER A 64 -16.928 13.859 -8.698 1.00 0.00 O ATOM 0 H SER A 64 -17.466 13.392 -11.228 1.00 0.00 H new ATOM 0 HA SER A 64 -15.297 14.968 -10.475 1.00 0.00 H new ATOM 0 HB2 SER A 64 -16.124 12.168 -9.559 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.980 13.187 -8.710 1.00 0.00 H new ATOM 0 HG SER A 64 -17.133 13.390 -7.862 1.00 0.00 H new ATOM 1017 N LEU A 65 -13.089 13.745 -10.862 1.00 0.00 N ATOM 1018 CA LEU A 65 -11.797 13.357 -11.424 1.00 0.00 C ATOM 1019 C LEU A 65 -10.762 13.131 -10.311 1.00 0.00 C ATOM 1020 O LEU A 65 -10.527 14.004 -9.472 1.00 0.00 O ATOM 1021 CB LEU A 65 -11.355 14.456 -12.409 1.00 0.00 C ATOM 1022 CG LEU A 65 -10.211 14.029 -13.344 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -10.689 12.990 -14.364 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -9.684 15.242 -14.106 1.00 0.00 C ATOM 0 H LEU A 65 -13.010 14.417 -10.099 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.884 12.411 -11.958 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -12.212 14.756 -13.012 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.041 15.333 -11.843 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.425 13.593 -12.728 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.859 12.707 -15.011 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.057 12.108 -13.840 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.491 13.415 -14.967 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.874 14.933 -14.767 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.489 15.678 -14.698 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.312 15.983 -13.398 1.00 0.00 H new ATOM 1036 N ILE A 66 -10.151 11.947 -10.322 1.00 0.00 N ATOM 1037 CA ILE A 66 -9.211 11.443 -9.313 1.00 0.00 C ATOM 1038 C ILE A 66 -8.007 10.837 -10.049 1.00 0.00 C ATOM 1039 O ILE A 66 -8.137 10.334 -11.168 1.00 0.00 O ATOM 1040 CB ILE A 66 -9.915 10.419 -8.371 1.00 0.00 C ATOM 1041 CG1 ILE A 66 -11.252 10.958 -7.790 1.00 0.00 C ATOM 1042 CG2 ILE A 66 -8.958 10.038 -7.222 1.00 0.00 C ATOM 1043 CD1 ILE A 66 -12.117 9.964 -6.989 1.00 0.00 C ATOM 0 H ILE A 66 -10.305 11.275 -11.074 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.860 12.251 -8.671 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.160 9.541 -8.968 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.024 11.806 -7.144 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.851 11.340 -8.617 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -9.448 9.322 -6.562 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.054 9.591 -7.635 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.695 10.932 -6.656 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -13.020 10.466 -6.640 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.392 9.125 -7.627 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -11.551 9.598 -6.132 1.00 0.00 H new ATOM 1055 N ARG A 67 -6.815 10.903 -9.445 1.00 0.00 N ATOM 1056 CA ARG A 67 -5.585 10.275 -9.942 1.00 0.00 C ATOM 1057 C ARG A 67 -4.890 9.499 -8.823 1.00 0.00 C ATOM 1058 O ARG A 67 -4.536 10.065 -7.786 1.00 0.00 O ATOM 1059 CB ARG A 67 -4.664 11.352 -10.545 1.00 0.00 C ATOM 1060 CG ARG A 67 -5.023 11.706 -11.991 1.00 0.00 C ATOM 1061 CD ARG A 67 -6.083 12.789 -12.213 1.00 0.00 C ATOM 1062 NE ARG A 67 -6.566 12.759 -13.615 1.00 0.00 N ATOM 1063 CZ ARG A 67 -6.075 13.419 -14.653 1.00 0.00 C ATOM 1064 NH1 ARG A 67 -5.072 14.245 -14.544 1.00 0.00 N ATOM 1065 NH2 ARG A 67 -6.579 13.260 -15.844 1.00 0.00 N ATOM 0 H ARG A 67 -6.675 11.410 -8.571 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.833 9.560 -10.726 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.717 12.252 -9.933 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.632 11.002 -10.508 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.110 12.021 -12.497 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.364 10.796 -12.485 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.919 12.635 -11.530 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.664 13.769 -11.987 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.370 12.160 -13.802 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.637 14.402 -13.635 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.723 14.735 -15.368 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.361 12.621 -15.986 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.191 13.775 -16.635 1.00 0.00 H new ATOM 1079 N ALA A 68 -4.703 8.199 -9.047 1.00 0.00 N ATOM 1080 CA ALA A 68 -4.102 7.255 -8.105 1.00 0.00 C ATOM 1081 C ALA A 68 -3.360 6.128 -8.844 1.00 0.00 C ATOM 1082 O ALA A 68 -3.548 5.910 -10.045 1.00 0.00 O ATOM 1083 CB ALA A 68 -5.218 6.687 -7.215 1.00 0.00 C ATOM 0 H ALA A 68 -4.977 7.757 -9.924 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.364 7.770 -7.491 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.792 5.980 -6.504 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.700 7.500 -6.673 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.955 6.178 -7.836 1.00 0.00 H new ATOM 1089 N THR A 69 -2.503 5.398 -8.131 1.00 0.00 N ATOM 1090 CA THR A 69 -1.824 4.204 -8.666 1.00 0.00 C ATOM 1091 C THR A 69 -2.760 3.004 -8.747 1.00 0.00 C ATOM 1092 O THR A 69 -3.650 2.855 -7.906 1.00 0.00 O ATOM 1093 CB THR A 69 -0.651 3.797 -7.777 1.00 0.00 C ATOM 1094 OG1 THR A 69 -1.079 3.759 -6.436 1.00 0.00 O ATOM 1095 CG2 THR A 69 0.497 4.784 -7.859 1.00 0.00 C ATOM 0 H THR A 69 -2.255 5.613 -7.165 1.00 0.00 H new ATOM 0 HA THR A 69 -1.481 4.477 -9.664 1.00 0.00 H new ATOM 0 HB THR A 69 -0.306 2.822 -8.123 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.413 2.862 -6.224 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.308 4.453 -7.210 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.855 4.841 -8.887 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.154 5.768 -7.539 1.00 0.00 H new ATOM 1103 N LYS A 70 -2.478 2.066 -9.657 1.00 0.00 N ATOM 1104 CA LYS A 70 -3.254 0.815 -9.775 1.00 0.00 C ATOM 1105 C LYS A 70 -3.199 -0.102 -8.538 1.00 0.00 C ATOM 1106 O LYS A 70 -4.080 -0.937 -8.352 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.855 0.038 -11.047 1.00 0.00 C ATOM 1108 CG LYS A 70 -4.019 -0.008 -12.053 1.00 0.00 C ATOM 1109 CD LYS A 70 -3.884 -1.163 -13.055 1.00 0.00 C ATOM 1110 CE LYS A 70 -2.776 -0.983 -14.092 1.00 0.00 C ATOM 1111 NZ LYS A 70 -2.569 -2.229 -14.881 1.00 0.00 N ATOM 0 H LYS A 70 -1.715 2.145 -10.329 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.294 1.134 -9.849 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.988 0.511 -11.509 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.560 -0.977 -10.780 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.959 -0.109 -11.511 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.064 0.936 -12.596 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.700 -2.085 -12.503 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.834 -1.287 -13.576 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.032 -0.163 -14.763 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.847 -0.708 -13.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.811 -2.077 -15.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.302 -3.004 -14.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.449 -2.477 -15.376 1.00 0.00 H new ATOM 1125 N ASP A 71 -2.185 0.070 -7.688 1.00 0.00 N ATOM 1126 CA ASP A 71 -1.942 -0.698 -6.459 1.00 0.00 C ATOM 1127 C ASP A 71 -2.668 -0.116 -5.230 1.00 0.00 C ATOM 1128 O ASP A 71 -2.687 -0.743 -4.168 1.00 0.00 O ATOM 1129 CB ASP A 71 -0.429 -0.722 -6.183 1.00 0.00 C ATOM 1130 CG ASP A 71 0.362 -1.434 -7.292 1.00 0.00 C ATOM 1131 OD1 ASP A 71 0.404 -2.688 -7.291 1.00 0.00 O ATOM 1132 OD2 ASP A 71 0.954 -0.744 -8.155 1.00 0.00 O ATOM 0 H ASP A 71 -1.473 0.784 -7.843 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.336 -1.702 -6.618 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.065 0.301 -6.082 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.245 -1.222 -5.232 1.00 0.00 H new ATOM 1137 N HIS A 72 -3.246 1.089 -5.349 1.00 0.00 N ATOM 1138 CA HIS A 72 -3.995 1.739 -4.277 1.00 0.00 C ATOM 1139 C HIS A 72 -5.399 1.112 -4.168 1.00 0.00 C ATOM 1140 O HIS A 72 -6.078 0.931 -5.186 1.00 0.00 O ATOM 1141 CB HIS A 72 -4.078 3.245 -4.570 1.00 0.00 C ATOM 1142 CG HIS A 72 -4.698 4.002 -3.428 1.00 0.00 C ATOM 1143 ND1 HIS A 72 -6.027 4.017 -3.101 1.00 0.00 N ATOM 1144 CD2 HIS A 72 -4.038 4.654 -2.422 1.00 0.00 C ATOM 1145 CE1 HIS A 72 -6.154 4.597 -1.903 1.00 0.00 C ATOM 1146 NE2 HIS A 72 -4.967 5.014 -1.444 1.00 0.00 N ATOM 0 H HIS A 72 -3.202 1.641 -6.205 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.490 1.596 -3.322 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.078 3.633 -4.763 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -4.664 3.408 -5.475 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -6.788 3.650 -3.672 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.978 4.856 -2.390 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -7.089 4.714 -1.376 1.00 0.00 H new ATOM 1154 N LYS A 73 -5.853 0.802 -2.945 1.00 0.00 N ATOM 1155 CA LYS A 73 -7.169 0.198 -2.685 1.00 0.00 C ATOM 1156 C LYS A 73 -8.206 1.245 -2.275 1.00 0.00 C ATOM 1157 O LYS A 73 -7.905 2.254 -1.645 1.00 0.00 O ATOM 1158 CB LYS A 73 -7.077 -0.913 -1.620 1.00 0.00 C ATOM 1159 CG LYS A 73 -6.181 -2.101 -2.012 1.00 0.00 C ATOM 1160 CD LYS A 73 -4.725 -1.940 -1.555 1.00 0.00 C ATOM 1161 CE LYS A 73 -3.923 -3.172 -1.985 1.00 0.00 C ATOM 1162 NZ LYS A 73 -2.473 -3.005 -1.695 1.00 0.00 N ATOM 0 H LYS A 73 -5.310 0.966 -2.097 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.500 -0.250 -3.622 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.700 -0.480 -0.693 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.081 -1.284 -1.413 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.591 -3.014 -1.581 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.203 -2.222 -3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.292 -1.039 -1.990 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.682 -1.823 -0.472 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.300 -4.053 -1.466 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.064 -3.346 -3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.958 -3.856 -1.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.109 -2.178 -2.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.337 -2.864 -0.674 1.00 0.00 H new ATOM 1176 N PHE A 74 -9.465 0.992 -2.597 1.00 0.00 N ATOM 1177 CA PHE A 74 -10.564 1.910 -2.300 1.00 0.00 C ATOM 1178 C PHE A 74 -11.759 1.127 -1.756 1.00 0.00 C ATOM 1179 O PHE A 74 -12.118 0.081 -2.300 1.00 0.00 O ATOM 1180 CB PHE A 74 -10.924 2.691 -3.566 1.00 0.00 C ATOM 1181 CG PHE A 74 -9.899 3.703 -4.050 1.00 0.00 C ATOM 1182 CD1 PHE A 74 -8.888 3.330 -4.963 1.00 0.00 C ATOM 1183 CD2 PHE A 74 -9.997 5.045 -3.630 1.00 0.00 C ATOM 1184 CE1 PHE A 74 -8.004 4.301 -5.468 1.00 0.00 C ATOM 1185 CE2 PHE A 74 -9.100 6.008 -4.121 1.00 0.00 C ATOM 1186 CZ PHE A 74 -8.109 5.637 -5.044 1.00 0.00 C ATOM 0 H PHE A 74 -9.759 0.140 -3.075 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.263 2.625 -1.534 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.104 1.976 -4.369 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.864 3.214 -3.389 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.794 2.300 -5.273 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.765 5.334 -2.928 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.244 4.020 -6.182 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.172 7.033 -3.789 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.426 6.380 -5.429 1.00 0.00 H new ATOM 1196 N MET A 75 -12.342 1.607 -0.653 1.00 0.00 N ATOM 1197 CA MET A 75 -13.392 0.882 0.067 1.00 0.00 C ATOM 1198 C MET A 75 -14.713 0.896 -0.723 1.00 0.00 C ATOM 1199 O MET A 75 -15.370 1.935 -0.854 1.00 0.00 O ATOM 1200 CB MET A 75 -13.538 1.435 1.491 1.00 0.00 C ATOM 1201 CG MET A 75 -14.445 0.516 2.320 1.00 0.00 C ATOM 1202 SD MET A 75 -14.449 0.768 4.120 1.00 0.00 S ATOM 1203 CE MET A 75 -14.864 2.527 4.236 1.00 0.00 C ATOM 0 H MET A 75 -12.100 2.506 -0.236 1.00 0.00 H new ATOM 0 HA MET A 75 -13.105 -0.165 0.160 1.00 0.00 H new ATOM 0 HB2 MET A 75 -12.558 1.514 1.962 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.957 2.441 1.458 1.00 0.00 H new ATOM 0 HG2 MET A 75 -15.467 0.633 1.959 1.00 0.00 H new ATOM 0 HG3 MET A 75 -14.153 -0.516 2.123 1.00 0.00 H new ATOM 0 HE1 MET A 75 -14.059 3.058 4.745 1.00 0.00 H new ATOM 0 HE2 MET A 75 -14.993 2.937 3.234 1.00 0.00 H new ATOM 0 HE3 MET A 75 -15.790 2.646 4.799 1.00 0.00 H new ATOM 1213 N THR A 76 -15.095 -0.259 -1.273 1.00 0.00 N ATOM 1214 CA THR A 76 -16.343 -0.418 -2.040 1.00 0.00 C ATOM 1215 C THR A 76 -17.581 -0.301 -1.156 1.00 0.00 C ATOM 1216 O THR A 76 -17.488 -0.299 0.074 1.00 0.00 O ATOM 1217 CB THR A 76 -16.402 -1.759 -2.784 1.00 0.00 C ATOM 1218 OG1 THR A 76 -16.395 -2.832 -1.868 1.00 0.00 O ATOM 1219 CG2 THR A 76 -15.241 -1.911 -3.757 1.00 0.00 C ATOM 0 H THR A 76 -14.548 -1.117 -1.201 1.00 0.00 H new ATOM 0 HA THR A 76 -16.340 0.395 -2.766 1.00 0.00 H new ATOM 0 HB THR A 76 -17.331 -1.774 -3.354 1.00 0.00 H new ATOM 0 HG1 THR A 76 -16.435 -3.680 -2.357 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.316 -2.872 -4.265 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.275 -1.108 -4.493 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.299 -1.862 -3.210 1.00 0.00 H new ATOM 1227 N VAL A 77 -18.764 -0.268 -1.775 1.00 0.00 N ATOM 1228 CA VAL A 77 -20.057 -0.326 -1.074 1.00 0.00 C ATOM 1229 C VAL A 77 -20.250 -1.547 -0.156 1.00 0.00 C ATOM 1230 O VAL A 77 -21.042 -1.484 0.785 1.00 0.00 O ATOM 1231 CB VAL A 77 -21.243 -0.221 -2.051 1.00 0.00 C ATOM 1232 CG1 VAL A 77 -21.260 1.149 -2.737 1.00 0.00 C ATOM 1233 CG2 VAL A 77 -21.232 -1.331 -3.109 1.00 0.00 C ATOM 0 H VAL A 77 -18.856 -0.200 -2.789 1.00 0.00 H new ATOM 0 HA VAL A 77 -20.035 0.546 -0.420 1.00 0.00 H new ATOM 0 HB VAL A 77 -22.148 -0.342 -1.456 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -22.106 1.202 -3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -21.354 1.932 -1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -20.333 1.289 -3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -22.089 -1.210 -3.772 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -20.312 -1.270 -3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -21.287 -2.302 -2.618 1.00 0.00 H new ATOM 1243 N ASP A 78 -19.519 -2.645 -0.389 1.00 0.00 N ATOM 1244 CA ASP A 78 -19.495 -3.831 0.486 1.00 0.00 C ATOM 1245 C ASP A 78 -18.456 -3.730 1.624 1.00 0.00 C ATOM 1246 O ASP A 78 -18.401 -4.603 2.494 1.00 0.00 O ATOM 1247 CB ASP A 78 -19.233 -5.083 -0.365 1.00 0.00 C ATOM 1248 CG ASP A 78 -20.448 -5.450 -1.231 1.00 0.00 C ATOM 1249 OD1 ASP A 78 -21.481 -5.887 -0.668 1.00 0.00 O ATOM 1250 OD2 ASP A 78 -20.369 -5.331 -2.478 1.00 0.00 O ATOM 0 H ASP A 78 -18.915 -2.738 -1.206 1.00 0.00 H new ATOM 0 HA ASP A 78 -20.470 -3.896 0.970 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -18.368 -4.912 -1.006 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -18.986 -5.920 0.287 1.00 0.00 H new ATOM 1255 N GLY A 79 -17.624 -2.682 1.631 1.00 0.00 N ATOM 1256 CA GLY A 79 -16.566 -2.460 2.624 1.00 0.00 C ATOM 1257 C GLY A 79 -15.230 -3.127 2.271 1.00 0.00 C ATOM 1258 O GLY A 79 -14.329 -3.180 3.110 1.00 0.00 O ATOM 0 H GLY A 79 -17.669 -1.945 0.927 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -16.407 -1.388 2.737 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -16.904 -2.835 3.590 1.00 0.00 H new ATOM 1262 N GLN A 80 -15.092 -3.664 1.052 1.00 0.00 N ATOM 1263 CA GLN A 80 -13.891 -4.374 0.595 1.00 0.00 C ATOM 1264 C GLN A 80 -12.806 -3.382 0.144 1.00 0.00 C ATOM 1265 O GLN A 80 -13.068 -2.496 -0.671 1.00 0.00 O ATOM 1266 CB GLN A 80 -14.258 -5.311 -0.571 1.00 0.00 C ATOM 1267 CG GLN A 80 -15.276 -6.412 -0.229 1.00 0.00 C ATOM 1268 CD GLN A 80 -14.606 -7.643 0.378 1.00 0.00 C ATOM 1269 OE1 GLN A 80 -14.294 -8.614 -0.303 1.00 0.00 O ATOM 1270 NE2 GLN A 80 -14.339 -7.657 1.666 1.00 0.00 N ATOM 0 H GLN A 80 -15.824 -3.616 0.344 1.00 0.00 H new ATOM 0 HA GLN A 80 -13.497 -4.959 1.426 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.657 -4.710 -1.388 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -13.346 -5.782 -0.938 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -16.014 -6.019 0.471 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -15.815 -6.701 -1.132 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -14.591 -6.858 2.248 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -13.880 -8.467 2.083 1.00 0.00 H new ATOM 1279 N MET A 81 -11.578 -3.554 0.640 1.00 0.00 N ATOM 1280 CA MET A 81 -10.376 -2.849 0.174 1.00 0.00 C ATOM 1281 C MET A 81 -9.754 -3.570 -1.035 1.00 0.00 C ATOM 1282 O MET A 81 -8.872 -4.419 -0.891 1.00 0.00 O ATOM 1283 CB MET A 81 -9.366 -2.624 1.320 1.00 0.00 C ATOM 1284 CG MET A 81 -8.989 -3.852 2.172 1.00 0.00 C ATOM 1285 SD MET A 81 -10.184 -4.370 3.441 1.00 0.00 S ATOM 1286 CE MET A 81 -10.016 -2.992 4.610 1.00 0.00 C ATOM 0 H MET A 81 -11.385 -4.207 1.400 1.00 0.00 H new ATOM 0 HA MET A 81 -10.673 -1.856 -0.165 1.00 0.00 H new ATOM 0 HB2 MET A 81 -8.451 -2.216 0.890 1.00 0.00 H new ATOM 0 HB3 MET A 81 -9.773 -1.862 1.985 1.00 0.00 H new ATOM 0 HG2 MET A 81 -8.822 -4.693 1.499 1.00 0.00 H new ATOM 0 HG3 MET A 81 -8.039 -3.645 2.665 1.00 0.00 H new ATOM 0 HE1 MET A 81 -10.499 -3.253 5.552 1.00 0.00 H new ATOM 0 HE2 MET A 81 -8.959 -2.792 4.787 1.00 0.00 H new ATOM 0 HE3 MET A 81 -10.489 -2.102 4.194 1.00 0.00 H new ATOM 1296 N LEU A 82 -10.220 -3.236 -2.242 1.00 0.00 N ATOM 1297 CA LEU A 82 -9.748 -3.836 -3.503 1.00 0.00 C ATOM 1298 C LEU A 82 -8.994 -2.786 -4.344 1.00 0.00 C ATOM 1299 O LEU A 82 -9.376 -1.610 -4.315 1.00 0.00 O ATOM 1300 CB LEU A 82 -10.938 -4.417 -4.295 1.00 0.00 C ATOM 1301 CG LEU A 82 -11.883 -5.326 -3.483 1.00 0.00 C ATOM 1302 CD1 LEU A 82 -13.053 -5.784 -4.350 1.00 0.00 C ATOM 1303 CD2 LEU A 82 -11.194 -6.576 -2.931 1.00 0.00 C ATOM 0 H LEU A 82 -10.946 -2.532 -2.377 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.060 -4.649 -3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.518 -3.591 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.549 -4.986 -5.140 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.223 -4.721 -2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -13.711 -6.425 -3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -13.610 -4.914 -4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -12.675 -6.341 -5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.915 -7.171 -2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.799 -7.168 -3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.377 -6.280 -2.273 1.00 0.00 H new ATOM 1315 N PRO A 83 -7.944 -3.174 -5.094 1.00 0.00 N ATOM 1316 CA PRO A 83 -7.218 -2.256 -5.971 1.00 0.00 C ATOM 1317 C PRO A 83 -8.112 -1.772 -7.113 1.00 0.00 C ATOM 1318 O PRO A 83 -8.951 -2.516 -7.623 1.00 0.00 O ATOM 1319 CB PRO A 83 -6.012 -3.038 -6.504 1.00 0.00 C ATOM 1320 CG PRO A 83 -6.491 -4.488 -6.435 1.00 0.00 C ATOM 1321 CD PRO A 83 -7.393 -4.518 -5.204 1.00 0.00 C ATOM 0 HA PRO A 83 -6.898 -1.364 -5.433 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.757 -2.744 -7.522 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -5.123 -2.876 -5.894 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -7.035 -4.772 -7.336 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.655 -5.181 -6.335 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -8.185 -5.259 -5.315 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.829 -4.786 -4.310 1.00 0.00 H new ATOM 1329 N ILE A 84 -7.908 -0.532 -7.560 1.00 0.00 N ATOM 1330 CA ILE A 84 -8.708 0.073 -8.635 1.00 0.00 C ATOM 1331 C ILE A 84 -8.679 -0.701 -9.970 1.00 0.00 C ATOM 1332 O ILE A 84 -9.659 -0.691 -10.716 1.00 0.00 O ATOM 1333 CB ILE A 84 -8.328 1.556 -8.788 1.00 0.00 C ATOM 1334 CG1 ILE A 84 -9.322 2.239 -9.736 1.00 0.00 C ATOM 1335 CG2 ILE A 84 -6.877 1.737 -9.259 1.00 0.00 C ATOM 1336 CD1 ILE A 84 -9.454 3.735 -9.490 1.00 0.00 C ATOM 0 H ILE A 84 -7.184 0.084 -7.189 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.754 0.007 -8.334 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.387 2.032 -7.809 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.005 2.073 -10.766 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.300 1.771 -9.625 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.655 2.800 -9.353 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.200 1.287 -8.533 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.745 1.252 -10.226 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -10.172 4.157 -10.193 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.800 3.907 -8.471 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.485 4.214 -9.629 1.00 0.00 H new ATOM 1348 N ASP A 85 -7.599 -1.448 -10.229 1.00 0.00 N ATOM 1349 CA ASP A 85 -7.496 -2.412 -11.334 1.00 0.00 C ATOM 1350 C ASP A 85 -8.638 -3.443 -11.347 1.00 0.00 C ATOM 1351 O ASP A 85 -9.140 -3.821 -12.408 1.00 0.00 O ATOM 1352 CB ASP A 85 -6.169 -3.165 -11.186 1.00 0.00 C ATOM 1353 CG ASP A 85 -5.905 -4.129 -12.358 1.00 0.00 C ATOM 1354 OD1 ASP A 85 -5.882 -3.684 -13.531 1.00 0.00 O ATOM 1355 OD2 ASP A 85 -5.683 -5.337 -12.104 1.00 0.00 O ATOM 0 H ASP A 85 -6.752 -1.399 -9.663 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.555 -1.851 -12.266 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.352 -2.446 -11.120 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.176 -3.727 -10.252 1.00 0.00 H new ATOM 1360 N GLU A 86 -9.063 -3.880 -10.159 1.00 0.00 N ATOM 1361 CA GLU A 86 -10.156 -4.841 -9.989 1.00 0.00 C ATOM 1362 C GLU A 86 -11.518 -4.139 -10.103 1.00 0.00 C ATOM 1363 O GLU A 86 -12.436 -4.668 -10.728 1.00 0.00 O ATOM 1364 CB GLU A 86 -10.011 -5.545 -8.625 1.00 0.00 C ATOM 1365 CG GLU A 86 -10.863 -6.815 -8.470 1.00 0.00 C ATOM 1366 CD GLU A 86 -10.244 -8.075 -9.117 1.00 0.00 C ATOM 1367 OE1 GLU A 86 -9.550 -7.985 -10.157 1.00 0.00 O ATOM 1368 OE2 GLU A 86 -10.465 -9.191 -8.581 1.00 0.00 O ATOM 0 H GLU A 86 -8.653 -3.573 -9.277 1.00 0.00 H new ATOM 0 HA GLU A 86 -10.103 -5.589 -10.780 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.963 -5.805 -8.474 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -10.282 -4.842 -7.837 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.021 -7.006 -7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.844 -6.638 -8.912 1.00 0.00 H new ATOM 1375 N ILE A 87 -11.650 -2.923 -9.551 1.00 0.00 N ATOM 1376 CA ILE A 87 -12.912 -2.172 -9.527 1.00 0.00 C ATOM 1377 C ILE A 87 -13.403 -1.869 -10.952 1.00 0.00 C ATOM 1378 O ILE A 87 -14.600 -1.985 -11.224 1.00 0.00 O ATOM 1379 CB ILE A 87 -12.736 -0.890 -8.679 1.00 0.00 C ATOM 1380 CG1 ILE A 87 -12.307 -1.265 -7.240 1.00 0.00 C ATOM 1381 CG2 ILE A 87 -14.028 -0.061 -8.648 1.00 0.00 C ATOM 1382 CD1 ILE A 87 -12.041 -0.076 -6.314 1.00 0.00 C ATOM 0 H ILE A 87 -10.876 -2.430 -9.105 1.00 0.00 H new ATOM 0 HA ILE A 87 -13.686 -2.781 -9.059 1.00 0.00 H new ATOM 0 HB ILE A 87 -11.958 -0.281 -9.140 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -13.085 -1.886 -6.795 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.405 -1.874 -7.293 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -13.872 0.833 -8.044 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -14.299 0.229 -9.663 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -14.832 -0.656 -8.214 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -11.747 -0.440 -5.330 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -11.240 0.536 -6.729 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -12.946 0.524 -6.223 1.00 0.00 H new ATOM 1394 N PHE A 88 -12.490 -1.543 -11.873 1.00 0.00 N ATOM 1395 CA PHE A 88 -12.832 -1.286 -13.280 1.00 0.00 C ATOM 1396 C PHE A 88 -13.383 -2.528 -14.010 1.00 0.00 C ATOM 1397 O PHE A 88 -14.330 -2.408 -14.790 1.00 0.00 O ATOM 1398 CB PHE A 88 -11.609 -0.707 -14.010 1.00 0.00 C ATOM 1399 CG PHE A 88 -11.898 -0.272 -15.439 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -12.438 1.002 -15.710 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -11.648 -1.160 -16.504 1.00 0.00 C ATOM 1402 CE1 PHE A 88 -12.713 1.388 -17.034 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -11.915 -0.770 -17.829 1.00 0.00 C ATOM 1404 CZ PHE A 88 -12.448 0.505 -18.095 1.00 0.00 C ATOM 0 H PHE A 88 -11.495 -1.450 -11.667 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.642 -0.557 -13.290 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.233 0.148 -13.448 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.816 -1.455 -14.021 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -12.641 1.684 -14.898 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -11.250 -2.144 -16.302 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -13.128 2.364 -17.236 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -11.711 -1.450 -18.643 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.653 0.804 -19.112 1.00 0.00 H new ATOM 1414 N GLU A 89 -12.842 -3.725 -13.745 1.00 0.00 N ATOM 1415 CA GLU A 89 -13.333 -4.977 -14.351 1.00 0.00 C ATOM 1416 C GLU A 89 -14.643 -5.464 -13.722 1.00 0.00 C ATOM 1417 O GLU A 89 -15.525 -5.955 -14.432 1.00 0.00 O ATOM 1418 CB GLU A 89 -12.300 -6.108 -14.222 1.00 0.00 C ATOM 1419 CG GLU A 89 -11.121 -5.933 -15.189 1.00 0.00 C ATOM 1420 CD GLU A 89 -10.331 -7.244 -15.369 1.00 0.00 C ATOM 1421 OE1 GLU A 89 -9.783 -7.787 -14.377 1.00 0.00 O ATOM 1422 OE2 GLU A 89 -10.244 -7.751 -16.515 1.00 0.00 O ATOM 0 H GLU A 89 -12.056 -3.856 -13.108 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.507 -4.740 -15.400 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.926 -6.140 -13.199 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.786 -7.065 -14.414 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.491 -5.596 -16.157 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.455 -5.156 -14.814 1.00 0.00 H new ATOM 1429 N ARG A 90 -14.781 -5.321 -12.396 1.00 0.00 N ATOM 1430 CA ARG A 90 -16.010 -5.668 -11.669 1.00 0.00 C ATOM 1431 C ARG A 90 -17.137 -4.644 -11.857 1.00 0.00 C ATOM 1432 O ARG A 90 -18.283 -4.956 -11.530 1.00 0.00 O ATOM 1433 CB ARG A 90 -15.696 -5.882 -10.178 1.00 0.00 C ATOM 1434 CG ARG A 90 -14.706 -7.016 -9.859 1.00 0.00 C ATOM 1435 CD ARG A 90 -15.037 -8.370 -10.499 1.00 0.00 C ATOM 1436 NE ARG A 90 -16.453 -8.761 -10.339 1.00 0.00 N ATOM 1437 CZ ARG A 90 -17.071 -9.139 -9.233 1.00 0.00 C ATOM 1438 NH1 ARG A 90 -16.447 -9.292 -8.097 1.00 0.00 N ATOM 1439 NH2 ARG A 90 -18.354 -9.366 -9.243 1.00 0.00 N ATOM 0 H ARG A 90 -14.040 -4.960 -11.795 1.00 0.00 H new ATOM 0 HA ARG A 90 -16.382 -6.599 -12.097 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -15.297 -4.952 -9.773 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -16.631 -6.083 -9.654 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.712 -6.711 -10.185 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -14.661 -7.144 -8.778 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -14.796 -8.331 -11.561 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -14.403 -9.138 -10.056 1.00 0.00 H new ATOM 0 HE ARG A 90 -17.023 -8.736 -11.185 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -15.444 -9.118 -8.039 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -16.963 -9.585 -7.267 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -18.885 -9.252 -10.106 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -18.827 -9.657 -8.388 1.00 0.00 H new ATOM 1453 N GLU A 91 -16.840 -3.454 -12.396 1.00 0.00 N ATOM 1454 CA GLU A 91 -17.780 -2.339 -12.574 1.00 0.00 C ATOM 1455 C GLU A 91 -18.411 -1.895 -11.235 1.00 0.00 C ATOM 1456 O GLU A 91 -19.569 -1.471 -11.179 1.00 0.00 O ATOM 1457 CB GLU A 91 -18.806 -2.649 -13.685 1.00 0.00 C ATOM 1458 CG GLU A 91 -18.158 -3.083 -15.010 1.00 0.00 C ATOM 1459 CD GLU A 91 -19.211 -3.268 -16.117 1.00 0.00 C ATOM 1460 OE1 GLU A 91 -19.838 -2.262 -16.535 1.00 0.00 O ATOM 1461 OE2 GLU A 91 -19.418 -4.414 -16.590 1.00 0.00 O ATOM 0 H GLU A 91 -15.903 -3.233 -12.733 1.00 0.00 H new ATOM 0 HA GLU A 91 -17.220 -1.470 -12.920 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -19.476 -3.437 -13.341 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.418 -1.765 -13.861 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -17.428 -2.336 -15.322 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -17.615 -4.017 -14.863 1.00 0.00 H new ATOM 1468 N LEU A 92 -17.648 -2.034 -10.142 1.00 0.00 N ATOM 1469 CA LEU A 92 -18.077 -1.691 -8.786 1.00 0.00 C ATOM 1470 C LEU A 92 -17.875 -0.202 -8.473 1.00 0.00 C ATOM 1471 O LEU A 92 -17.041 0.491 -9.055 1.00 0.00 O ATOM 1472 CB LEU A 92 -17.330 -2.569 -7.761 1.00 0.00 C ATOM 1473 CG LEU A 92 -17.808 -4.031 -7.725 1.00 0.00 C ATOM 1474 CD1 LEU A 92 -16.887 -4.851 -6.819 1.00 0.00 C ATOM 1475 CD2 LEU A 92 -19.239 -4.179 -7.197 1.00 0.00 C ATOM 0 H LEU A 92 -16.695 -2.396 -10.181 1.00 0.00 H new ATOM 0 HA LEU A 92 -19.147 -1.887 -8.717 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -16.265 -2.551 -7.990 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -17.450 -2.134 -6.769 1.00 0.00 H new ATOM 0 HG LEU A 92 -17.784 -4.389 -8.754 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -17.228 -5.886 -6.795 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -15.869 -4.813 -7.205 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -16.908 -4.439 -5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -19.519 -5.232 -7.195 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -19.294 -3.787 -6.181 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -19.923 -3.623 -7.838 1.00 0.00 H new ATOM 1487 N ASP A 93 -18.641 0.267 -7.497 1.00 0.00 N ATOM 1488 CA ASP A 93 -18.671 1.632 -6.983 1.00 0.00 C ATOM 1489 C ASP A 93 -18.165 1.738 -5.529 1.00 0.00 C ATOM 1490 O ASP A 93 -18.156 0.768 -4.759 1.00 0.00 O ATOM 1491 CB ASP A 93 -20.094 2.198 -7.150 1.00 0.00 C ATOM 1492 CG ASP A 93 -21.272 1.264 -6.784 1.00 0.00 C ATOM 1493 OD1 ASP A 93 -21.096 0.226 -6.107 1.00 0.00 O ATOM 1494 OD2 ASP A 93 -22.410 1.571 -7.212 1.00 0.00 O ATOM 0 H ASP A 93 -19.303 -0.337 -7.010 1.00 0.00 H new ATOM 0 HA ASP A 93 -17.975 2.236 -7.565 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -20.174 3.098 -6.540 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -20.216 2.505 -8.189 1.00 0.00 H new ATOM 1499 N LEU A 94 -17.706 2.939 -5.156 1.00 0.00 N ATOM 1500 CA LEU A 94 -17.164 3.221 -3.824 1.00 0.00 C ATOM 1501 C LEU A 94 -18.251 3.646 -2.830 1.00 0.00 C ATOM 1502 O LEU A 94 -19.243 4.282 -3.198 1.00 0.00 O ATOM 1503 CB LEU A 94 -16.074 4.302 -3.904 1.00 0.00 C ATOM 1504 CG LEU A 94 -14.817 3.937 -4.704 1.00 0.00 C ATOM 1505 CD1 LEU A 94 -13.726 4.962 -4.363 1.00 0.00 C ATOM 1506 CD2 LEU A 94 -14.284 2.534 -4.422 1.00 0.00 C ATOM 0 H LEU A 94 -17.701 3.748 -5.777 1.00 0.00 H new ATOM 0 HA LEU A 94 -16.728 2.292 -3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -16.512 5.198 -4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -15.772 4.560 -2.889 1.00 0.00 H new ATOM 0 HG LEU A 94 -15.090 3.952 -5.759 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -12.819 4.726 -4.919 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -14.068 5.961 -4.633 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -13.516 4.927 -3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -13.395 2.354 -5.027 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -14.028 2.447 -3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -15.048 1.798 -4.672 1.00 0.00 H new ATOM 1518 N MET A 95 -18.029 3.326 -1.552 1.00 0.00 N ATOM 1519 CA MET A 95 -18.849 3.818 -0.442 1.00 0.00 C ATOM 1520 C MET A 95 -18.576 5.308 -0.165 1.00 0.00 C ATOM 1521 O MET A 95 -17.479 5.809 -0.430 1.00 0.00 O ATOM 1522 CB MET A 95 -18.571 2.951 0.796 1.00 0.00 C ATOM 1523 CG MET A 95 -19.557 3.194 1.946 1.00 0.00 C ATOM 1524 SD MET A 95 -19.915 1.734 2.970 1.00 0.00 S ATOM 1525 CE MET A 95 -18.243 1.238 3.461 1.00 0.00 C ATOM 0 H MET A 95 -17.269 2.713 -1.257 1.00 0.00 H new ATOM 0 HA MET A 95 -19.904 3.740 -0.704 1.00 0.00 H new ATOM 0 HB2 MET A 95 -18.610 1.900 0.510 1.00 0.00 H new ATOM 0 HB3 MET A 95 -17.558 3.148 1.148 1.00 0.00 H new ATOM 0 HG2 MET A 95 -19.158 3.980 2.587 1.00 0.00 H new ATOM 0 HG3 MET A 95 -20.493 3.566 1.530 1.00 0.00 H new ATOM 0 HE1 MET A 95 -18.259 0.872 4.488 1.00 0.00 H new ATOM 0 HE2 MET A 95 -17.889 0.448 2.799 1.00 0.00 H new ATOM 0 HE3 MET A 95 -17.574 2.096 3.392 1.00 0.00 H new ATOM 1535 N ARG A 96 -19.571 6.007 0.398 1.00 0.00 N ATOM 1536 CA ARG A 96 -19.538 7.444 0.697 1.00 0.00 C ATOM 1537 C ARG A 96 -19.855 7.737 2.172 1.00 0.00 C ATOM 1538 O ARG A 96 -20.412 6.888 2.872 1.00 0.00 O ATOM 1539 CB ARG A 96 -20.562 8.143 -0.217 1.00 0.00 C ATOM 1540 CG ARG A 96 -20.055 9.457 -0.804 1.00 0.00 C ATOM 1541 CD ARG A 96 -19.258 9.263 -2.097 1.00 0.00 C ATOM 1542 NE ARG A 96 -19.191 10.523 -2.860 1.00 0.00 N ATOM 1543 CZ ARG A 96 -19.705 10.805 -4.045 1.00 0.00 C ATOM 1544 NH1 ARG A 96 -20.438 9.968 -4.723 1.00 0.00 N ATOM 1545 NH2 ARG A 96 -19.491 11.979 -4.564 1.00 0.00 N ATOM 0 H ARG A 96 -20.453 5.571 0.667 1.00 0.00 H new ATOM 0 HA ARG A 96 -18.532 7.821 0.514 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -20.830 7.470 -1.031 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -21.473 8.335 0.351 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -20.903 10.113 -1.001 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -19.427 9.960 -0.068 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -18.250 8.920 -1.861 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -19.724 8.488 -2.705 1.00 0.00 H new ATOM 0 HE ARG A 96 -18.677 11.282 -2.412 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -20.640 9.043 -4.343 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -20.810 10.238 -5.634 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -18.933 12.667 -4.057 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -19.881 12.212 -5.477 1.00 0.00 H new ATOM 1559 N VAL A 97 -19.596 8.975 2.603 1.00 0.00 N ATOM 1560 CA VAL A 97 -19.946 9.498 3.944 1.00 0.00 C ATOM 1561 C VAL A 97 -21.080 10.536 3.938 1.00 0.00 C ATOM 1562 O VAL A 97 -21.650 10.831 4.988 1.00 0.00 O ATOM 1563 CB VAL A 97 -18.717 10.065 4.682 1.00 0.00 C ATOM 1564 CG1 VAL A 97 -17.689 8.968 4.987 1.00 0.00 C ATOM 1565 CG2 VAL A 97 -18.004 11.214 3.965 1.00 0.00 C ATOM 0 H VAL A 97 -19.125 9.666 2.020 1.00 0.00 H new ATOM 0 HA VAL A 97 -20.319 8.629 4.486 1.00 0.00 H new ATOM 0 HB VAL A 97 -19.134 10.474 5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -16.836 9.403 5.508 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -18.147 8.205 5.616 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -17.352 8.515 4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -17.154 11.544 4.562 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -17.653 10.873 2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -18.697 12.045 3.830 1.00 0.00 H new ATOM 1575 N ASP A 98 -21.458 11.054 2.763 1.00 0.00 N ATOM 1576 CA ASP A 98 -22.502 12.085 2.586 1.00 0.00 C ATOM 1577 C ASP A 98 -23.831 11.514 2.043 1.00 0.00 C ATOM 1578 O ASP A 98 -24.747 12.264 1.697 1.00 0.00 O ATOM 1579 CB ASP A 98 -21.947 13.200 1.682 1.00 0.00 C ATOM 1580 CG ASP A 98 -20.913 14.064 2.418 1.00 0.00 C ATOM 1581 OD1 ASP A 98 -21.300 14.794 3.364 1.00 0.00 O ATOM 1582 OD2 ASP A 98 -19.718 14.044 2.038 1.00 0.00 O ATOM 0 H ASP A 98 -21.037 10.763 1.881 1.00 0.00 H new ATOM 0 HA ASP A 98 -22.749 12.495 3.565 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -21.488 12.757 0.798 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -22.767 13.829 1.335 1.00 0.00 H new ATOM 1587 N ASN A 99 -23.944 10.178 1.974 1.00 0.00 N ATOM 1588 CA ASN A 99 -25.082 9.430 1.393 1.00 0.00 C ATOM 1589 C ASN A 99 -25.439 9.873 -0.036 1.00 0.00 C ATOM 1590 O ASN A 99 -26.598 9.879 -0.463 1.00 0.00 O ATOM 1591 CB ASN A 99 -26.251 9.360 2.400 1.00 0.00 C ATOM 1592 CG ASN A 99 -25.906 8.335 3.456 1.00 0.00 C ATOM 1593 OD1 ASN A 99 -26.417 7.222 3.478 1.00 0.00 O ATOM 1594 ND2 ASN A 99 -24.905 8.621 4.255 1.00 0.00 N ATOM 0 H ASN A 99 -23.218 9.559 2.335 1.00 0.00 H new ATOM 0 HA ASN A 99 -24.777 8.396 1.234 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -26.417 10.335 2.857 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -27.175 9.085 1.891 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -24.548 7.915 4.899 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -24.483 9.550 4.232 1.00 0.00 H new ATOM 1601 N LEU A 100 -24.386 10.221 -0.776 1.00 0.00 N ATOM 1602 CA LEU A 100 -24.460 10.481 -2.225 1.00 0.00 C ATOM 1603 C LEU A 100 -24.595 9.162 -3.020 1.00 0.00 C ATOM 1604 O LEU A 100 -24.185 8.105 -2.524 1.00 0.00 O ATOM 1605 CB LEU A 100 -23.222 11.278 -2.679 1.00 0.00 C ATOM 1606 CG LEU A 100 -23.164 12.714 -2.125 1.00 0.00 C ATOM 1607 CD1 LEU A 100 -21.785 13.323 -2.373 1.00 0.00 C ATOM 1608 CD2 LEU A 100 -24.203 13.614 -2.798 1.00 0.00 C ATOM 0 H LEU A 100 -23.449 10.333 -0.390 1.00 0.00 H new ATOM 0 HA LEU A 100 -25.350 11.076 -2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -22.324 10.743 -2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -23.208 11.319 -3.768 1.00 0.00 H new ATOM 0 HG LEU A 100 -23.371 12.654 -1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -21.759 14.338 -1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -21.026 12.719 -1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -21.585 13.347 -3.444 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -24.135 14.620 -2.384 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -24.013 13.649 -3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -25.201 13.214 -2.619 1.00 0.00 H new ATOM 1620 N PRO A 101 -25.134 9.198 -4.256 1.00 0.00 N ATOM 1621 CA PRO A 101 -25.281 8.014 -5.100 1.00 0.00 C ATOM 1622 C PRO A 101 -23.915 7.407 -5.444 1.00 0.00 C ATOM 1623 O PRO A 101 -22.993 8.106 -5.875 1.00 0.00 O ATOM 1624 CB PRO A 101 -26.054 8.476 -6.344 1.00 0.00 C ATOM 1625 CG PRO A 101 -25.781 9.977 -6.410 1.00 0.00 C ATOM 1626 CD PRO A 101 -25.649 10.374 -4.941 1.00 0.00 C ATOM 0 HA PRO A 101 -25.824 7.218 -4.591 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -25.706 7.967 -7.243 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -27.120 8.267 -6.252 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -24.872 10.196 -6.969 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -26.594 10.513 -6.900 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -24.973 11.221 -4.824 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -26.612 10.675 -4.530 1.00 0.00 H new ATOM 1634 N ASN A 102 -23.781 6.098 -5.233 1.00 0.00 N ATOM 1635 CA ASN A 102 -22.557 5.349 -5.523 1.00 0.00 C ATOM 1636 C ASN A 102 -22.398 5.180 -7.050 1.00 0.00 C ATOM 1637 O ASN A 102 -23.363 4.862 -7.755 1.00 0.00 O ATOM 1638 CB ASN A 102 -22.601 4.010 -4.763 1.00 0.00 C ATOM 1639 CG ASN A 102 -22.932 4.193 -3.292 1.00 0.00 C ATOM 1640 OD1 ASN A 102 -24.059 3.998 -2.855 1.00 0.00 O ATOM 1641 ND2 ASN A 102 -21.981 4.601 -2.482 1.00 0.00 N ATOM 0 H ASN A 102 -24.529 5.520 -4.851 1.00 0.00 H new ATOM 0 HA ASN A 102 -21.675 5.890 -5.179 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -23.344 3.358 -5.222 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -21.637 3.510 -4.857 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -22.183 4.754 -1.494 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -21.041 4.765 -2.841 1.00 0.00 H new ATOM 1648 N ILE A 103 -21.185 5.423 -7.560 1.00 0.00 N ATOM 1649 CA ILE A 103 -20.870 5.537 -8.996 1.00 0.00 C ATOM 1650 C ILE A 103 -19.496 4.928 -9.309 1.00 0.00 C ATOM 1651 O ILE A 103 -18.511 5.193 -8.616 1.00 0.00 O ATOM 1652 CB ILE A 103 -20.974 7.009 -9.467 1.00 0.00 C ATOM 1653 CG1 ILE A 103 -20.321 8.023 -8.498 1.00 0.00 C ATOM 1654 CG2 ILE A 103 -22.454 7.361 -9.711 1.00 0.00 C ATOM 1655 CD1 ILE A 103 -20.330 9.464 -9.020 1.00 0.00 C ATOM 0 H ILE A 103 -20.365 5.551 -6.967 1.00 0.00 H new ATOM 0 HA ILE A 103 -21.609 4.964 -9.556 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.408 7.089 -10.395 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -20.844 7.988 -7.542 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -19.291 7.720 -8.309 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -22.532 8.396 -10.043 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -22.863 6.703 -10.477 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -23.016 7.233 -8.786 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -19.856 10.119 -8.289 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -19.782 9.514 -9.961 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -21.359 9.786 -9.182 1.00 0.00 H new ATOM 1667 N LYS A 104 -19.451 4.069 -10.339 1.00 0.00 N ATOM 1668 CA LYS A 104 -18.240 3.352 -10.775 1.00 0.00 C ATOM 1669 C LYS A 104 -17.374 4.192 -11.722 1.00 0.00 C ATOM 1670 O LYS A 104 -17.775 5.263 -12.186 1.00 0.00 O ATOM 1671 CB LYS A 104 -18.610 1.943 -11.303 1.00 0.00 C ATOM 1672 CG LYS A 104 -19.471 1.817 -12.573 1.00 0.00 C ATOM 1673 CD LYS A 104 -18.668 2.016 -13.870 1.00 0.00 C ATOM 1674 CE LYS A 104 -19.528 1.974 -15.143 1.00 0.00 C ATOM 1675 NZ LYS A 104 -19.636 0.610 -15.721 1.00 0.00 N ATOM 0 H LYS A 104 -20.271 3.848 -10.904 1.00 0.00 H new ATOM 0 HA LYS A 104 -17.594 3.189 -9.912 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -17.679 1.406 -11.484 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -19.130 1.419 -10.501 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -19.940 0.833 -12.591 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -20.275 2.552 -12.534 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -18.151 2.974 -13.823 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -17.902 1.243 -13.934 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -20.526 2.346 -14.914 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -19.100 2.646 -15.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -20.226 0.641 -16.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -18.688 0.261 -15.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -20.070 -0.029 -15.024 1.00 0.00 H new ATOM 1689 N ILE A 105 -16.178 3.682 -12.021 1.00 0.00 N ATOM 1690 CA ILE A 105 -15.192 4.298 -12.922 1.00 0.00 C ATOM 1691 C ILE A 105 -15.755 4.370 -14.353 1.00 0.00 C ATOM 1692 O ILE A 105 -15.964 3.342 -15.004 1.00 0.00 O ATOM 1693 CB ILE A 105 -13.884 3.475 -12.912 1.00 0.00 C ATOM 1694 CG1 ILE A 105 -13.297 3.240 -11.504 1.00 0.00 C ATOM 1695 CG2 ILE A 105 -12.830 4.172 -13.791 1.00 0.00 C ATOM 1696 CD1 ILE A 105 -12.489 1.950 -11.420 1.00 0.00 C ATOM 0 H ILE A 105 -15.854 2.797 -11.630 1.00 0.00 H new ATOM 0 HA ILE A 105 -14.980 5.309 -12.575 1.00 0.00 H new ATOM 0 HB ILE A 105 -14.142 2.492 -13.307 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -12.661 4.083 -11.233 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -14.108 3.206 -10.776 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -11.908 3.591 -13.783 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -13.202 4.249 -14.813 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -12.633 5.170 -13.400 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -12.098 1.831 -10.410 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -13.130 1.103 -11.663 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.661 1.993 -12.127 1.00 0.00 H new ATOM 1708 N ALA A 106 -16.013 5.580 -14.845 1.00 0.00 N ATOM 1709 CA ALA A 106 -16.635 5.811 -16.152 1.00 0.00 C ATOM 1710 C ALA A 106 -15.626 5.693 -17.309 1.00 0.00 C ATOM 1711 O ALA A 106 -15.957 5.158 -18.371 1.00 0.00 O ATOM 1712 CB ALA A 106 -17.309 7.185 -16.129 1.00 0.00 C ATOM 0 H ALA A 106 -15.794 6.440 -14.343 1.00 0.00 H new ATOM 0 HA ALA A 106 -17.381 5.037 -16.333 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -17.778 7.376 -17.094 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -18.067 7.205 -15.346 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -16.562 7.953 -15.930 1.00 0.00 H new ATOM 1718 N THR A 107 -14.385 6.132 -17.078 1.00 0.00 N ATOM 1719 CA THR A 107 -13.230 5.984 -17.980 1.00 0.00 C ATOM 1720 C THR A 107 -11.935 5.818 -17.178 1.00 0.00 C ATOM 1721 O THR A 107 -11.790 6.348 -16.072 1.00 0.00 O ATOM 1722 CB THR A 107 -13.059 7.182 -18.941 1.00 0.00 C ATOM 1723 OG1 THR A 107 -13.137 8.418 -18.263 1.00 0.00 O ATOM 1724 CG2 THR A 107 -14.114 7.205 -20.046 1.00 0.00 C ATOM 0 H THR A 107 -14.143 6.624 -16.218 1.00 0.00 H new ATOM 0 HA THR A 107 -13.429 5.094 -18.576 1.00 0.00 H new ATOM 0 HB THR A 107 -12.070 7.049 -19.379 1.00 0.00 H new ATOM 0 HG1 THR A 107 -13.023 9.150 -18.904 1.00 0.00 H new ATOM 0 HG21 THR A 107 -13.946 8.067 -20.691 1.00 0.00 H new ATOM 0 HG22 THR A 107 -14.043 6.291 -20.636 1.00 0.00 H new ATOM 0 HG23 THR A 107 -15.106 7.273 -19.600 1.00 0.00 H new ATOM 1732 N ARG A 108 -10.981 5.085 -17.765 1.00 0.00 N ATOM 1733 CA ARG A 108 -9.645 4.810 -17.213 1.00 0.00 C ATOM 1734 C ARG A 108 -8.601 4.824 -18.332 1.00 0.00 C ATOM 1735 O ARG A 108 -8.861 4.355 -19.444 1.00 0.00 O ATOM 1736 CB ARG A 108 -9.694 3.470 -16.454 1.00 0.00 C ATOM 1737 CG ARG A 108 -8.355 2.975 -15.877 1.00 0.00 C ATOM 1738 CD ARG A 108 -7.472 2.243 -16.907 1.00 0.00 C ATOM 1739 NE ARG A 108 -6.862 1.018 -16.351 1.00 0.00 N ATOM 1740 CZ ARG A 108 -7.359 -0.207 -16.404 1.00 0.00 C ATOM 1741 NH1 ARG A 108 -8.526 -0.472 -16.919 1.00 0.00 N ATOM 1742 NH2 ARG A 108 -6.681 -1.211 -15.931 1.00 0.00 N ATOM 0 H ARG A 108 -11.123 4.648 -18.676 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.349 5.585 -16.507 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -10.408 3.564 -15.635 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -10.081 2.706 -17.129 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.804 3.827 -15.478 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.555 2.305 -15.041 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -8.073 1.984 -17.779 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -6.685 2.915 -17.251 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.965 1.128 -15.877 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.097 0.281 -17.303 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.869 -1.433 -16.938 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.762 -1.056 -15.517 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.068 -2.154 -15.974 1.00 0.00 H new ATOM 1756 N LYS A 109 -7.414 5.343 -18.011 1.00 0.00 N ATOM 1757 CA LYS A 109 -6.253 5.470 -18.915 1.00 0.00 C ATOM 1758 C LYS A 109 -4.966 5.658 -18.103 1.00 0.00 C ATOM 1759 O LYS A 109 -4.972 6.376 -17.103 1.00 0.00 O ATOM 1760 CB LYS A 109 -6.502 6.682 -19.846 1.00 0.00 C ATOM 1761 CG LYS A 109 -5.414 6.959 -20.900 1.00 0.00 C ATOM 1762 CD LYS A 109 -5.122 5.806 -21.878 1.00 0.00 C ATOM 1763 CE LYS A 109 -6.325 5.368 -22.729 1.00 0.00 C ATOM 1764 NZ LYS A 109 -6.713 6.395 -23.738 1.00 0.00 N ATOM 0 H LYS A 109 -7.220 5.703 -17.077 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.134 4.566 -19.512 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.450 6.529 -20.363 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -6.616 7.572 -19.228 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -5.709 7.835 -21.478 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.489 7.215 -20.382 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -4.313 6.108 -22.544 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -4.764 4.947 -21.310 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -6.085 4.435 -23.239 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -7.174 5.166 -22.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -7.528 6.053 -24.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -6.968 7.279 -23.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -5.914 6.571 -24.380 1.00 0.00 H new ATOM 1778 N TYR A 110 -3.865 5.035 -18.523 1.00 0.00 N ATOM 1779 CA TYR A 110 -2.536 5.303 -17.962 1.00 0.00 C ATOM 1780 C TYR A 110 -2.090 6.741 -18.272 1.00 0.00 C ATOM 1781 O TYR A 110 -2.009 7.131 -19.441 1.00 0.00 O ATOM 1782 CB TYR A 110 -1.510 4.303 -18.515 1.00 0.00 C ATOM 1783 CG TYR A 110 -0.115 4.488 -17.938 1.00 0.00 C ATOM 1784 CD1 TYR A 110 0.067 4.517 -16.541 1.00 0.00 C ATOM 1785 CD2 TYR A 110 0.993 4.670 -18.789 1.00 0.00 C ATOM 1786 CE1 TYR A 110 1.342 4.738 -15.996 1.00 0.00 C ATOM 1787 CE2 TYR A 110 2.279 4.865 -18.246 1.00 0.00 C ATOM 1788 CZ TYR A 110 2.458 4.896 -16.847 1.00 0.00 C ATOM 1789 OH TYR A 110 3.699 5.103 -16.330 1.00 0.00 O ATOM 0 H TYR A 110 -3.867 4.331 -19.261 1.00 0.00 H new ATOM 0 HA TYR A 110 -2.596 5.186 -16.880 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -1.851 3.290 -18.304 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -1.463 4.404 -19.599 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -0.779 4.368 -15.886 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.857 4.660 -19.860 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.469 4.787 -14.925 1.00 0.00 H new ATOM 0 HE2 TYR A 110 3.128 4.991 -18.901 1.00 0.00 H new ATOM 0 HH TYR A 110 4.347 5.189 -17.060 1.00 0.00 H new ATOM 1799 N LEU A 111 -1.797 7.531 -17.234 1.00 0.00 N ATOM 1800 CA LEU A 111 -1.352 8.921 -17.387 1.00 0.00 C ATOM 1801 C LEU A 111 0.171 9.026 -17.471 1.00 0.00 C ATOM 1802 O LEU A 111 0.700 9.766 -18.304 1.00 0.00 O ATOM 1803 CB LEU A 111 -1.845 9.745 -16.187 1.00 0.00 C ATOM 1804 CG LEU A 111 -3.368 9.909 -16.142 1.00 0.00 C ATOM 1805 CD1 LEU A 111 -3.763 10.555 -14.823 1.00 0.00 C ATOM 1806 CD2 LEU A 111 -3.874 10.808 -17.270 1.00 0.00 C ATOM 0 H LEU A 111 -1.862 7.225 -16.263 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.769 9.305 -18.318 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.512 9.266 -15.266 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.382 10.731 -16.219 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.809 8.918 -16.251 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.846 10.674 -14.786 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.439 9.922 -13.997 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.288 11.532 -14.740 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.958 10.899 -17.204 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.420 11.795 -17.180 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.605 10.371 -18.232 1.00 0.00 H new ATOM 1818 N GLY A 112 0.867 8.301 -16.594 1.00 0.00 N ATOM 1819 CA GLY A 112 2.321 8.362 -16.471 1.00 0.00 C ATOM 1820 C GLY A 112 2.822 8.058 -15.060 1.00 0.00 C ATOM 1821 O GLY A 112 2.285 7.201 -14.356 1.00 0.00 O ATOM 0 H GLY A 112 0.431 7.648 -15.943 1.00 0.00 H new ATOM 0 HA2 GLY A 112 2.768 7.653 -17.168 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.662 9.355 -16.764 1.00 0.00 H new ATOM 1825 N LYS A 113 3.866 8.775 -14.641 1.00 0.00 N ATOM 1826 CA LYS A 113 4.646 8.492 -13.427 1.00 0.00 C ATOM 1827 C LYS A 113 4.826 9.743 -12.564 1.00 0.00 C ATOM 1828 O LYS A 113 5.777 10.513 -12.704 1.00 0.00 O ATOM 1829 CB LYS A 113 5.979 7.848 -13.821 1.00 0.00 C ATOM 1830 CG LYS A 113 6.484 6.901 -12.727 1.00 0.00 C ATOM 1831 CD LYS A 113 7.956 6.545 -12.976 1.00 0.00 C ATOM 1832 CE LYS A 113 8.477 5.483 -11.997 1.00 0.00 C ATOM 1833 NZ LYS A 113 8.017 4.112 -12.351 1.00 0.00 N ATOM 0 H LYS A 113 4.205 9.592 -15.149 1.00 0.00 H new ATOM 0 HA LYS A 113 4.097 7.785 -12.805 1.00 0.00 H new ATOM 0 HB2 LYS A 113 5.858 7.298 -14.754 1.00 0.00 H new ATOM 0 HB3 LYS A 113 6.721 8.625 -14.003 1.00 0.00 H new ATOM 0 HG2 LYS A 113 6.376 7.371 -11.750 1.00 0.00 H new ATOM 0 HG3 LYS A 113 5.880 5.994 -12.713 1.00 0.00 H new ATOM 0 HD2 LYS A 113 8.071 6.181 -13.997 1.00 0.00 H new ATOM 0 HD3 LYS A 113 8.564 7.445 -12.888 1.00 0.00 H new ATOM 0 HE2 LYS A 113 9.567 5.506 -11.986 1.00 0.00 H new ATOM 0 HE3 LYS A 113 8.142 5.727 -10.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 8.394 3.431 -11.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 6.978 4.080 -12.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 8.358 3.866 -13.302 1.00 0.00 H new ATOM 1847 N GLN A 114 3.837 9.977 -11.713 1.00 0.00 N ATOM 1848 CA GLN A 114 3.668 11.213 -10.942 1.00 0.00 C ATOM 1849 C GLN A 114 4.065 11.007 -9.481 1.00 0.00 C ATOM 1850 O GLN A 114 4.020 9.889 -8.957 1.00 0.00 O ATOM 1851 CB GLN A 114 2.219 11.706 -11.039 1.00 0.00 C ATOM 1852 CG GLN A 114 1.766 11.508 -12.484 1.00 0.00 C ATOM 1853 CD GLN A 114 0.500 12.196 -12.885 1.00 0.00 C ATOM 1854 OE1 GLN A 114 -0.076 13.054 -12.225 1.00 0.00 O ATOM 1855 NE2 GLN A 114 0.063 11.844 -14.063 1.00 0.00 N ATOM 0 H GLN A 114 3.103 9.293 -11.530 1.00 0.00 H new ATOM 0 HA GLN A 114 4.326 11.971 -11.366 1.00 0.00 H new ATOM 0 HB2 GLN A 114 1.577 11.149 -10.356 1.00 0.00 H new ATOM 0 HB3 GLN A 114 2.151 12.756 -10.756 1.00 0.00 H new ATOM 0 HG2 GLN A 114 2.564 11.851 -13.142 1.00 0.00 H new ATOM 0 HG3 GLN A 114 1.645 10.439 -12.660 1.00 0.00 H new ATOM 0 HE21 GLN A 114 0.556 11.128 -14.597 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -0.772 12.285 -14.450 1.00 0.00 H new ATOM 1864 N ASN A 115 4.407 12.092 -8.794 1.00 0.00 N ATOM 1865 CA ASN A 115 4.593 12.100 -7.361 1.00 0.00 C ATOM 1866 C ASN A 115 3.282 11.735 -6.650 1.00 0.00 C ATOM 1867 O ASN A 115 2.288 12.459 -6.758 1.00 0.00 O ATOM 1868 CB ASN A 115 5.138 13.476 -6.932 1.00 0.00 C ATOM 1869 CG ASN A 115 6.185 13.323 -5.856 1.00 0.00 C ATOM 1870 OD1 ASN A 115 7.272 13.885 -5.920 1.00 0.00 O ATOM 1871 ND2 ASN A 115 5.929 12.509 -4.862 1.00 0.00 N ATOM 0 H ASN A 115 4.563 13.000 -9.231 1.00 0.00 H new ATOM 0 HA ASN A 115 5.324 11.345 -7.070 1.00 0.00 H new ATOM 0 HB2 ASN A 115 5.567 13.988 -7.794 1.00 0.00 H new ATOM 0 HB3 ASN A 115 4.321 14.098 -6.566 1.00 0.00 H new ATOM 0 HD21 ASN A 115 6.634 12.344 -4.143 1.00 0.00 H new ATOM 0 HD22 ASN A 115 5.025 12.040 -4.807 1.00 0.00 H new ATOM 1878 N VAL A 116 3.297 10.621 -5.912 1.00 0.00 N ATOM 1879 CA VAL A 116 2.147 10.170 -5.116 1.00 0.00 C ATOM 1880 C VAL A 116 2.534 9.982 -3.646 1.00 0.00 C ATOM 1881 O VAL A 116 3.692 9.714 -3.316 1.00 0.00 O ATOM 1882 CB VAL A 116 1.477 8.929 -5.737 1.00 0.00 C ATOM 1883 CG1 VAL A 116 0.765 9.268 -7.049 1.00 0.00 C ATOM 1884 CG2 VAL A 116 2.454 7.784 -6.033 1.00 0.00 C ATOM 0 H VAL A 116 4.107 10.004 -5.848 1.00 0.00 H new ATOM 0 HA VAL A 116 1.390 10.954 -5.135 1.00 0.00 H new ATOM 0 HB VAL A 116 0.766 8.600 -4.979 1.00 0.00 H new ATOM 0 HG11 VAL A 116 0.305 8.368 -7.456 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -0.005 10.016 -6.862 1.00 0.00 H new ATOM 0 HG13 VAL A 116 1.488 9.662 -7.764 1.00 0.00 H new ATOM 0 HG21 VAL A 116 1.911 6.945 -6.468 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.215 8.127 -6.734 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.932 7.465 -5.107 1.00 0.00 H new ATOM 1894 N TYR A 117 1.552 10.155 -2.765 1.00 0.00 N ATOM 1895 CA TYR A 117 1.719 10.267 -1.316 1.00 0.00 C ATOM 1896 C TYR A 117 0.599 9.536 -0.555 1.00 0.00 C ATOM 1897 O TYR A 117 -0.501 9.346 -1.082 1.00 0.00 O ATOM 1898 CB TYR A 117 1.675 11.756 -0.931 1.00 0.00 C ATOM 1899 CG TYR A 117 2.479 12.714 -1.793 1.00 0.00 C ATOM 1900 CD1 TYR A 117 1.882 13.301 -2.926 1.00 0.00 C ATOM 1901 CD2 TYR A 117 3.797 13.058 -1.438 1.00 0.00 C ATOM 1902 CE1 TYR A 117 2.600 14.234 -3.696 1.00 0.00 C ATOM 1903 CE2 TYR A 117 4.506 14.018 -2.186 1.00 0.00 C ATOM 1904 CZ TYR A 117 3.903 14.617 -3.313 1.00 0.00 C ATOM 1905 OH TYR A 117 4.570 15.557 -4.035 1.00 0.00 O ATOM 0 H TYR A 117 0.576 10.224 -3.052 1.00 0.00 H new ATOM 0 HA TYR A 117 2.672 9.811 -1.047 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.634 12.079 -0.945 1.00 0.00 H new ATOM 0 HB3 TYR A 117 2.024 11.851 0.097 1.00 0.00 H new ATOM 0 HD1 TYR A 117 0.873 13.035 -3.204 1.00 0.00 H new ATOM 0 HD2 TYR A 117 4.266 12.584 -0.589 1.00 0.00 H new ATOM 0 HE1 TYR A 117 2.153 14.658 -4.583 1.00 0.00 H new ATOM 0 HE2 TYR A 117 5.509 14.295 -1.898 1.00 0.00 H new ATOM 0 HH TYR A 117 5.454 15.707 -3.639 1.00 0.00 H new ATOM 1915 N ASP A 118 0.860 9.172 0.699 1.00 0.00 N ATOM 1916 CA ASP A 118 -0.120 8.567 1.600 1.00 0.00 C ATOM 1917 C ASP A 118 0.280 8.786 3.068 1.00 0.00 C ATOM 1918 O ASP A 118 1.412 8.528 3.475 1.00 0.00 O ATOM 1919 CB ASP A 118 -0.335 7.077 1.281 1.00 0.00 C ATOM 1920 CG ASP A 118 0.884 6.166 1.524 1.00 0.00 C ATOM 1921 OD1 ASP A 118 1.823 6.159 0.688 1.00 0.00 O ATOM 1922 OD2 ASP A 118 0.863 5.385 2.509 1.00 0.00 O ATOM 0 H ASP A 118 1.778 9.292 1.127 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.076 9.065 1.441 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -1.167 6.710 1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -0.633 6.986 0.236 1.00 0.00 H new ATOM 1927 N ILE A 119 -0.644 9.304 3.875 1.00 0.00 N ATOM 1928 CA ILE A 119 -0.435 9.458 5.321 1.00 0.00 C ATOM 1929 C ILE A 119 -0.681 8.130 6.054 1.00 0.00 C ATOM 1930 O ILE A 119 -1.538 7.334 5.657 1.00 0.00 O ATOM 1931 CB ILE A 119 -1.291 10.611 5.888 1.00 0.00 C ATOM 1932 CG1 ILE A 119 -2.793 10.460 5.565 1.00 0.00 C ATOM 1933 CG2 ILE A 119 -0.732 11.943 5.355 1.00 0.00 C ATOM 1934 CD1 ILE A 119 -3.676 11.494 6.263 1.00 0.00 C ATOM 0 H ILE A 119 -1.555 9.628 3.551 1.00 0.00 H new ATOM 0 HA ILE A 119 0.607 9.728 5.491 1.00 0.00 H new ATOM 0 HB ILE A 119 -1.226 10.587 6.976 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -2.934 10.542 4.487 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -3.120 9.461 5.854 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.326 12.769 5.746 1.00 0.00 H new ATOM 0 HG22 ILE A 119 0.304 12.057 5.675 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.778 11.947 4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -4.718 11.327 5.990 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -3.564 11.398 7.343 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -3.376 12.496 5.955 1.00 0.00 H new ATOM 1946 N GLY A 120 0.057 7.903 7.143 1.00 0.00 N ATOM 1947 CA GLY A 120 -0.113 6.754 8.033 1.00 0.00 C ATOM 1948 C GLY A 120 -0.858 7.135 9.314 1.00 0.00 C ATOM 1949 O GLY A 120 -0.861 8.300 9.727 1.00 0.00 O ATOM 0 H GLY A 120 0.807 8.529 7.437 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -0.662 5.969 7.513 1.00 0.00 H new ATOM 0 HA3 GLY A 120 0.864 6.344 8.289 1.00 0.00 H new ATOM 1953 N VAL A 121 -1.495 6.153 9.950 1.00 0.00 N ATOM 1954 CA VAL A 121 -2.447 6.351 11.061 1.00 0.00 C ATOM 1955 C VAL A 121 -2.294 5.225 12.102 1.00 0.00 C ATOM 1956 O VAL A 121 -1.850 4.120 11.780 1.00 0.00 O ATOM 1957 CB VAL A 121 -3.890 6.398 10.510 1.00 0.00 C ATOM 1958 CG1 VAL A 121 -4.879 6.932 11.548 1.00 0.00 C ATOM 1959 CG2 VAL A 121 -4.065 7.276 9.255 1.00 0.00 C ATOM 0 H VAL A 121 -1.366 5.171 9.707 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.231 7.299 11.554 1.00 0.00 H new ATOM 0 HB VAL A 121 -4.093 5.359 10.252 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.882 6.949 11.120 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -4.870 6.286 12.426 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -4.591 7.942 11.838 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -5.107 7.252 8.936 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -3.780 8.302 9.486 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -3.432 6.896 8.454 1.00 0.00 H new ATOM 2037 N ASN A 126 -6.651 4.180 6.320 1.00 0.00 N ATOM 2038 CA ASN A 126 -7.708 4.777 5.496 1.00 0.00 C ATOM 2039 C ASN A 126 -8.211 6.139 6.015 1.00 0.00 C ATOM 2040 O ASN A 126 -7.990 6.514 7.171 1.00 0.00 O ATOM 2041 CB ASN A 126 -8.840 3.755 5.261 1.00 0.00 C ATOM 2042 CG ASN A 126 -9.730 3.475 6.461 1.00 0.00 C ATOM 2043 OD1 ASN A 126 -10.610 4.390 6.808 1.00 0.00 O flip ATOM 2044 ND2 ASN A 126 -9.685 2.409 7.060 1.00 0.00 N flip ATOM 0 HA ASN A 126 -7.268 5.018 4.528 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -9.465 4.113 4.443 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -8.395 2.815 4.934 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -9.002 1.701 6.790 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -10.330 2.229 7.829 1.00 0.00 H new ATOM 2051 N PHE A 127 -8.897 6.880 5.139 1.00 0.00 N ATOM 2052 CA PHE A 127 -9.391 8.246 5.399 1.00 0.00 C ATOM 2053 C PHE A 127 -10.416 8.715 4.349 1.00 0.00 C ATOM 2054 O PHE A 127 -10.453 8.207 3.224 1.00 0.00 O ATOM 2055 CB PHE A 127 -8.209 9.238 5.468 1.00 0.00 C ATOM 2056 CG PHE A 127 -7.161 9.103 4.374 1.00 0.00 C ATOM 2057 CD1 PHE A 127 -7.447 9.494 3.052 1.00 0.00 C ATOM 2058 CD2 PHE A 127 -5.893 8.568 4.679 1.00 0.00 C ATOM 2059 CE1 PHE A 127 -6.480 9.338 2.041 1.00 0.00 C ATOM 2060 CE2 PHE A 127 -4.926 8.417 3.669 1.00 0.00 C ATOM 2061 CZ PHE A 127 -5.218 8.802 2.351 1.00 0.00 C ATOM 0 H PHE A 127 -9.132 6.543 4.205 1.00 0.00 H new ATOM 0 HA PHE A 127 -9.905 8.221 6.360 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -8.609 10.252 5.438 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -7.716 9.119 6.433 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -8.412 9.915 2.813 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -5.663 8.273 5.692 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -6.708 9.630 1.027 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -3.957 8.004 3.908 1.00 0.00 H new ATOM 0 HZ PHE A 127 -4.474 8.687 1.576 1.00 0.00 H new ATOM 2071 N ALA A 128 -11.236 9.706 4.711 1.00 0.00 N ATOM 2072 CA ALA A 128 -12.236 10.310 3.833 1.00 0.00 C ATOM 2073 C ALA A 128 -11.625 11.369 2.888 1.00 0.00 C ATOM 2074 O ALA A 128 -10.863 12.242 3.318 1.00 0.00 O ATOM 2075 CB ALA A 128 -13.339 10.928 4.706 1.00 0.00 C ATOM 0 H ALA A 128 -11.221 10.118 5.644 1.00 0.00 H new ATOM 0 HA ALA A 128 -12.653 9.534 3.191 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -14.095 11.384 4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -13.799 10.150 5.315 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -12.906 11.689 5.355 1.00 0.00 H new ATOM 2081 N LEU A 129 -11.994 11.321 1.604 1.00 0.00 N ATOM 2082 CA LEU A 129 -11.647 12.331 0.595 1.00 0.00 C ATOM 2083 C LEU A 129 -12.663 13.489 0.582 1.00 0.00 C ATOM 2084 O LEU A 129 -13.780 13.353 1.091 1.00 0.00 O ATOM 2085 CB LEU A 129 -11.595 11.688 -0.807 1.00 0.00 C ATOM 2086 CG LEU A 129 -10.711 10.436 -0.975 1.00 0.00 C ATOM 2087 CD1 LEU A 129 -10.670 10.025 -2.447 1.00 0.00 C ATOM 2088 CD2 LEU A 129 -9.275 10.666 -0.521 1.00 0.00 C ATOM 0 H LEU A 129 -12.557 10.559 1.226 1.00 0.00 H new ATOM 0 HA LEU A 129 -10.668 12.731 0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -12.612 11.424 -1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -11.249 12.443 -1.513 1.00 0.00 H new ATOM 0 HG LEU A 129 -11.154 9.659 -0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -10.044 9.140 -2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -11.680 9.802 -2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -10.257 10.840 -3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -8.698 9.752 -0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -8.832 11.469 -1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -9.267 10.942 0.534 1.00 0.00 H new ATOM 2100 N LYS A 130 -12.319 14.604 -0.082 1.00 0.00 N ATOM 2101 CA LYS A 130 -13.196 15.787 -0.220 1.00 0.00 C ATOM 2102 C LYS A 130 -14.607 15.514 -0.761 1.00 0.00 C ATOM 2103 O LYS A 130 -15.554 16.202 -0.384 1.00 0.00 O ATOM 2104 CB LYS A 130 -12.512 16.866 -1.076 1.00 0.00 C ATOM 2105 CG LYS A 130 -12.216 16.471 -2.535 1.00 0.00 C ATOM 2106 CD LYS A 130 -12.079 17.728 -3.397 1.00 0.00 C ATOM 2107 CE LYS A 130 -11.724 17.376 -4.844 1.00 0.00 C ATOM 2108 NZ LYS A 130 -11.547 18.612 -5.650 1.00 0.00 N ATOM 0 H LYS A 130 -11.416 14.715 -0.544 1.00 0.00 H new ATOM 0 HA LYS A 130 -13.345 16.133 0.803 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -13.143 17.755 -1.080 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -11.573 17.144 -0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -11.298 15.885 -2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -13.018 15.841 -2.920 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -13.013 18.289 -3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -11.309 18.376 -2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -10.808 16.785 -4.867 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -12.511 16.760 -5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -11.192 18.362 -6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -12.460 19.101 -5.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -10.865 19.239 -5.178 1.00 0.00 H new ATOM 2122 N ASN A 131 -14.742 14.520 -1.644 1.00 0.00 N ATOM 2123 CA ASN A 131 -15.996 14.175 -2.321 1.00 0.00 C ATOM 2124 C ASN A 131 -16.860 13.177 -1.528 1.00 0.00 C ATOM 2125 O ASN A 131 -17.973 12.877 -1.960 1.00 0.00 O ATOM 2126 CB ASN A 131 -15.666 13.625 -3.726 1.00 0.00 C ATOM 2127 CG ASN A 131 -15.326 14.716 -4.729 1.00 0.00 C ATOM 2128 OD1 ASN A 131 -14.184 14.907 -5.120 1.00 0.00 O ATOM 2129 ND2 ASN A 131 -16.309 15.461 -5.189 1.00 0.00 N ATOM 0 H ASN A 131 -13.964 13.919 -1.914 1.00 0.00 H new ATOM 0 HA ASN A 131 -16.595 15.082 -2.400 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -14.826 12.934 -3.651 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -16.517 13.053 -4.095 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -16.117 16.196 -5.870 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -17.263 15.304 -4.864 1.00 0.00 H new ATOM 2136 N GLY A 132 -16.363 12.628 -0.413 1.00 0.00 N ATOM 2137 CA GLY A 132 -17.088 11.676 0.438 1.00 0.00 C ATOM 2138 C GLY A 132 -16.571 10.234 0.382 1.00 0.00 C ATOM 2139 O GLY A 132 -16.993 9.421 1.199 1.00 0.00 O ATOM 0 H GLY A 132 -15.426 12.838 -0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -17.039 12.024 1.470 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -18.139 11.681 0.149 1.00 0.00 H new ATOM 2143 N PHE A 133 -15.698 9.888 -0.567 1.00 0.00 N ATOM 2144 CA PHE A 133 -15.154 8.527 -0.727 1.00 0.00 C ATOM 2145 C PHE A 133 -14.130 8.162 0.360 1.00 0.00 C ATOM 2146 O PHE A 133 -13.621 9.045 1.050 1.00 0.00 O ATOM 2147 CB PHE A 133 -14.505 8.413 -2.113 1.00 0.00 C ATOM 2148 CG PHE A 133 -15.464 8.647 -3.260 1.00 0.00 C ATOM 2149 CD1 PHE A 133 -16.518 7.742 -3.475 1.00 0.00 C ATOM 2150 CD2 PHE A 133 -15.316 9.764 -4.103 1.00 0.00 C ATOM 2151 CE1 PHE A 133 -17.415 7.939 -4.536 1.00 0.00 C ATOM 2152 CE2 PHE A 133 -16.226 9.973 -5.155 1.00 0.00 C ATOM 2153 CZ PHE A 133 -17.273 9.061 -5.369 1.00 0.00 C ATOM 0 H PHE A 133 -15.341 10.549 -1.257 1.00 0.00 H new ATOM 0 HA PHE A 133 -15.981 7.825 -0.626 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -13.689 9.133 -2.182 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -14.065 7.421 -2.217 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -16.638 6.891 -2.821 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -14.505 10.459 -3.943 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -18.211 7.231 -4.711 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -16.120 10.834 -5.798 1.00 0.00 H new ATOM 0 HZ PHE A 133 -17.971 9.223 -6.177 1.00 0.00 H new ATOM 2163 N ILE A 134 -13.768 6.875 0.465 1.00 0.00 N ATOM 2164 CA ILE A 134 -12.723 6.387 1.381 1.00 0.00 C ATOM 2165 C ILE A 134 -11.619 5.671 0.592 1.00 0.00 C ATOM 2166 O ILE A 134 -11.851 4.671 -0.095 1.00 0.00 O ATOM 2167 CB ILE A 134 -13.280 5.499 2.519 1.00 0.00 C ATOM 2168 CG1 ILE A 134 -14.351 6.184 3.398 1.00 0.00 C ATOM 2169 CG2 ILE A 134 -12.122 5.083 3.452 1.00 0.00 C ATOM 2170 CD1 ILE A 134 -15.771 6.168 2.815 1.00 0.00 C ATOM 0 H ILE A 134 -14.197 6.134 -0.090 1.00 0.00 H new ATOM 0 HA ILE A 134 -12.293 7.259 1.874 1.00 0.00 H new ATOM 0 HB ILE A 134 -13.753 4.651 2.023 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -14.368 5.695 4.372 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -14.054 7.219 3.566 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -12.509 4.457 4.256 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -11.379 4.524 2.883 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -11.659 5.974 3.877 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -16.452 6.671 3.502 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -15.776 6.685 1.855 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -16.095 5.137 2.674 1.00 0.00 H new ATOM 2182 N ALA A 135 -10.408 6.200 0.729 1.00 0.00 N ATOM 2183 CA ALA A 135 -9.163 5.663 0.194 1.00 0.00 C ATOM 2184 C ALA A 135 -8.438 4.842 1.281 1.00 0.00 C ATOM 2185 O ALA A 135 -8.431 5.257 2.443 1.00 0.00 O ATOM 2186 CB ALA A 135 -8.334 6.880 -0.243 1.00 0.00 C ATOM 0 H ALA A 135 -10.261 7.066 1.247 1.00 0.00 H new ATOM 0 HA ALA A 135 -9.329 4.991 -0.648 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -7.383 6.543 -0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -8.881 7.439 -1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -8.149 7.522 0.618 1.00 0.00 H new ATOM 2192 N SER A 136 -7.819 3.710 0.910 1.00 0.00 N ATOM 2193 CA SER A 136 -7.157 2.778 1.840 1.00 0.00 C ATOM 2194 C SER A 136 -5.821 2.230 1.301 1.00 0.00 C ATOM 2195 O SER A 136 -5.717 1.813 0.144 1.00 0.00 O ATOM 2196 CB SER A 136 -8.070 1.577 2.144 1.00 0.00 C ATOM 2197 OG SER A 136 -9.382 1.966 2.527 1.00 0.00 O ATOM 0 H SER A 136 -7.763 3.410 -0.063 1.00 0.00 H new ATOM 0 HA SER A 136 -6.955 3.357 2.741 1.00 0.00 H new ATOM 0 HB2 SER A 136 -8.128 0.938 1.263 1.00 0.00 H new ATOM 0 HB3 SER A 136 -7.625 0.981 2.941 1.00 0.00 H new ATOM 0 HG SER A 136 -9.921 1.167 2.707 1.00 0.00 H new ATOM 2203 N ASN A 137 -4.797 2.166 2.159 1.00 0.00 N ATOM 2204 CA ASN A 137 -3.434 1.716 1.823 1.00 0.00 C ATOM 2205 C ASN A 137 -3.089 0.303 2.362 1.00 0.00 C ATOM 2206 O ASN A 137 -4.015 -0.495 2.642 1.00 0.00 O ATOM 2207 CB ASN A 137 -2.454 2.828 2.268 1.00 0.00 C ATOM 2208 CG ASN A 137 -2.560 4.076 1.409 1.00 0.00 C ATOM 2209 OD1 ASN A 137 -3.239 5.042 1.736 1.00 0.00 O ATOM 2210 ND2 ASN A 137 -1.884 4.094 0.285 1.00 0.00 N ATOM 0 H ASN A 137 -4.893 2.434 3.139 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.348 1.575 0.746 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -2.653 3.089 3.307 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -1.434 2.447 2.225 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -1.922 4.914 -0.320 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -1.320 3.288 0.016 1.00 0.00 H new