USER MOD reduce.3.24.130724 H: found=0, std=0, add=1101, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1096 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 70 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 115 HIS : no HD1:sc= -0.623 K(o=-0.62,f=-3) USER MOD Set 2.1: A 25 GLN : amide:sc= -1.26 K(o=-1.3,f=-6.5!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 179:sc= 0 (180deg=0) USER MOD Set 3.1: A 9 ASN : amide:sc= -0.645 K(o=-3.8,f=-8.5!) USER MOD Set 3.2: A 47 HIS : no HE2:sc= -3.2! C(o=-3.8!,f=-6!) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0538 (180deg=0) USER MOD Single : A 2 SER OG : rot 150:sc= 0 USER MOD Single : A 3 HIS : no HE2:sc= -4.32! C(o=-4.3!,f=-5!) USER MOD Single : A 4 MET CE :methyl -176:sc= -0.0532 (180deg=-0.059) USER MOD Single : A 8 CYS SG : rot 140:sc= -2.15! USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 141:sc= -0.474 (180deg=-3.95!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -140:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.772 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.257 K(o=-0.26,f=-2.2!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.326 USER MOD Single : A 60 ASN : amide:sc= -0.174 X(o=-0.17,f=-0.027) USER MOD Single : A 61 GLN : amide:sc= -2.2 K(o=-2.2,f=-3.9!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.032 X(o=-0.032,f=-0.0077) USER MOD Single : A 73 ASN : amide:sc= -2.87! C(o=-2.9!,f=-4.2!) USER MOD Single : A 74 THR OG1 : rot -76:sc= 0.791 USER MOD Single : A 76 THR OG1 : rot 180:sc= -2.24! USER MOD Single : A 78 CYS SG : rot 180:sc= -2.83! USER MOD Single : A 83 GLN : amide:sc= -0.031 K(o=-0.031,f=-1.5) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 89 LYS NZ :NH3+ -140:sc= -0.134 (180deg=-1.68) USER MOD Single : A 90 THR OG1 : rot 160:sc= 0.0101 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -115:sc= 0 (180deg=-0.0759) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -1.02 X(o=-1,f=-1.1) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -58:sc= 0.093 USER MOD Single : A 110 THR OG1 : rot 35:sc= 0.589 USER MOD Single : A 112 ASN :FLIP amide:sc= -0.719 F(o=-4.3!,f=-0.72) USER MOD Single : A 114 CYS SG : rot -90:sc= -0.268 USER MOD Single : A 124 GLN :FLIP amide:sc= -2.28 F(o=-3.1!,f=-2.3) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl -158:sc= -0.027 (180deg=-0.379) USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 142 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.35) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.074 -16.262 -7.057 1.00 0.00 N ATOM 2 CA GLY A 1 -3.508 -16.028 -6.780 1.00 0.00 C ATOM 3 C GLY A 1 -4.275 -15.446 -7.985 1.00 0.00 C ATOM 4 O GLY A 1 -3.715 -15.234 -9.063 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.849 -17.265 -6.898 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.866 -16.013 -8.045 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.497 -15.673 -6.423 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.972 -16.969 -6.483 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.601 -15.346 -5.935 1.00 0.00 H new ATOM 9 N SER A 2 -5.574 -15.244 -7.793 1.00 0.00 N ATOM 10 CA SER A 2 -6.432 -14.635 -8.832 1.00 0.00 C ATOM 11 C SER A 2 -6.417 -13.108 -8.704 1.00 0.00 C ATOM 12 O SER A 2 -6.106 -12.593 -7.635 1.00 0.00 O ATOM 13 CB SER A 2 -7.877 -15.118 -8.702 1.00 0.00 C ATOM 14 OG SER A 2 -8.487 -14.595 -7.515 1.00 0.00 O ATOM 0 H SER A 2 -6.066 -15.489 -6.933 1.00 0.00 H new ATOM 0 HA SER A 2 -6.037 -14.934 -9.803 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.449 -14.807 -9.577 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.900 -16.207 -8.677 1.00 0.00 H new ATOM 0 HG SER A 2 -9.450 -14.487 -7.662 1.00 0.00 H new ATOM 20 N HIS A 3 -6.938 -12.457 -9.738 1.00 0.00 N ATOM 21 CA HIS A 3 -7.155 -10.998 -9.803 1.00 0.00 C ATOM 22 C HIS A 3 -8.019 -10.647 -11.026 1.00 0.00 C ATOM 23 O HIS A 3 -8.561 -11.542 -11.677 1.00 0.00 O ATOM 24 CB HIS A 3 -5.818 -10.252 -9.855 1.00 0.00 C ATOM 25 CG HIS A 3 -5.217 -9.993 -8.468 1.00 0.00 C ATOM 26 ND1 HIS A 3 -4.093 -10.495 -7.982 1.00 0.00 N ATOM 27 CD2 HIS A 3 -5.743 -9.202 -7.551 1.00 0.00 C ATOM 28 CE1 HIS A 3 -3.916 -10.003 -6.757 1.00 0.00 C ATOM 29 NE2 HIS A 3 -4.940 -9.206 -6.490 1.00 0.00 N ATOM 0 H HIS A 3 -7.234 -12.937 -10.588 1.00 0.00 H new ATOM 0 HA HIS A 3 -7.681 -10.684 -8.901 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.110 -10.830 -10.449 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.960 -9.300 -10.366 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -3.471 -11.145 -8.462 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.665 -8.648 -7.646 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -3.086 -10.216 -6.099 1.00 0.00 H new ATOM 37 N MET A 4 -8.042 -9.364 -11.369 1.00 0.00 N ATOM 38 CA MET A 4 -8.832 -8.818 -12.486 1.00 0.00 C ATOM 39 C MET A 4 -8.280 -7.446 -12.891 1.00 0.00 C ATOM 40 O MET A 4 -7.351 -6.948 -12.255 1.00 0.00 O ATOM 41 CB MET A 4 -10.297 -8.681 -12.067 1.00 0.00 C ATOM 42 CG MET A 4 -11.168 -9.466 -13.045 1.00 0.00 C ATOM 43 SD MET A 4 -12.945 -9.075 -12.888 1.00 0.00 S ATOM 44 CE MET A 4 -13.542 -10.005 -14.281 1.00 0.00 C ATOM 0 H MET A 4 -7.504 -8.653 -10.873 1.00 0.00 H new ATOM 0 HA MET A 4 -8.764 -9.497 -13.336 1.00 0.00 H new ATOM 0 HB2 MET A 4 -10.436 -9.057 -11.053 1.00 0.00 H new ATOM 0 HB3 MET A 4 -10.590 -7.631 -12.060 1.00 0.00 H new ATOM 0 HG2 MET A 4 -10.843 -9.254 -14.064 1.00 0.00 H new ATOM 0 HG3 MET A 4 -11.020 -10.533 -12.879 1.00 0.00 H new ATOM 0 HE1 MET A 4 -14.612 -9.836 -14.399 1.00 0.00 H new ATOM 0 HE2 MET A 4 -13.022 -9.683 -15.183 1.00 0.00 H new ATOM 0 HE3 MET A 4 -13.358 -11.067 -14.115 1.00 0.00 H new ATOM 54 N GLY A 5 -8.759 -6.947 -14.038 1.00 0.00 N ATOM 55 CA GLY A 5 -8.417 -5.603 -14.550 1.00 0.00 C ATOM 56 C GLY A 5 -8.886 -4.493 -13.594 1.00 0.00 C ATOM 57 O GLY A 5 -9.960 -3.919 -13.754 1.00 0.00 O ATOM 0 H GLY A 5 -9.398 -7.462 -14.643 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -7.338 -5.531 -14.690 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -8.876 -5.459 -15.528 1.00 0.00 H new ATOM 61 N ALA A 6 -8.089 -4.320 -12.551 1.00 0.00 N ATOM 62 CA ALA A 6 -8.279 -3.301 -11.508 1.00 0.00 C ATOM 63 C ALA A 6 -7.165 -2.257 -11.634 1.00 0.00 C ATOM 64 O ALA A 6 -6.140 -2.526 -12.258 1.00 0.00 O ATOM 65 CB ALA A 6 -8.231 -3.990 -10.146 1.00 0.00 C ATOM 0 H ALA A 6 -7.264 -4.899 -12.394 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.241 -2.800 -11.617 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.370 -3.249 -9.358 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.024 -4.736 -10.087 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.264 -4.478 -10.019 1.00 0.00 H new ATOM 71 N ALA A 7 -7.433 -1.076 -11.084 1.00 0.00 N ATOM 72 CA ALA A 7 -6.601 0.139 -11.228 1.00 0.00 C ATOM 73 C ALA A 7 -7.250 1.311 -10.475 1.00 0.00 C ATOM 74 O ALA A 7 -8.378 1.700 -10.777 1.00 0.00 O ATOM 75 CB ALA A 7 -6.456 0.506 -12.715 1.00 0.00 C ATOM 0 H ALA A 7 -8.259 -0.922 -10.505 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.615 -0.060 -10.808 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.842 1.402 -12.811 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.982 -0.318 -13.248 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.441 0.695 -13.141 1.00 0.00 H new ATOM 81 N CYS A 8 -6.676 1.624 -9.316 1.00 0.00 N ATOM 82 CA CYS A 8 -7.125 2.777 -8.508 1.00 0.00 C ATOM 83 C CYS A 8 -5.981 3.780 -8.253 1.00 0.00 C ATOM 84 O CYS A 8 -4.815 3.448 -8.442 1.00 0.00 O ATOM 85 CB CYS A 8 -7.718 2.250 -7.198 1.00 0.00 C ATOM 86 SG CYS A 8 -6.454 1.757 -5.974 1.00 0.00 S ATOM 0 H CYS A 8 -5.900 1.103 -8.908 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.889 3.327 -9.058 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -8.355 3.019 -6.761 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -8.356 1.393 -7.416 1.00 0.00 H new ATOM 0 HG CYS A 8 -6.831 2.130 -4.787 1.00 0.00 H new ATOM 92 N ASN A 9 -6.281 4.818 -7.476 1.00 0.00 N ATOM 93 CA ASN A 9 -5.303 5.894 -7.200 1.00 0.00 C ATOM 94 C ASN A 9 -5.028 5.999 -5.703 1.00 0.00 C ATOM 95 O ASN A 9 -5.947 6.133 -4.891 1.00 0.00 O ATOM 96 CB ASN A 9 -5.782 7.272 -7.666 1.00 0.00 C ATOM 97 CG ASN A 9 -6.308 7.321 -9.102 1.00 0.00 C ATOM 98 OD1 ASN A 9 -6.235 6.393 -9.888 1.00 0.00 O ATOM 99 ND2 ASN A 9 -6.952 8.402 -9.450 1.00 0.00 N ATOM 0 H ASN A 9 -7.186 4.946 -7.023 1.00 0.00 H new ATOM 0 HA ASN A 9 -4.405 5.621 -7.755 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.570 7.613 -6.994 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -4.957 7.978 -7.573 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.387 8.463 -10.371 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -7.020 9.186 -8.801 1.00 0.00 H new ATOM 106 N VAL A 10 -3.753 5.906 -5.364 1.00 0.00 N ATOM 107 CA VAL A 10 -3.326 5.980 -3.956 1.00 0.00 C ATOM 108 C VAL A 10 -2.079 6.873 -3.862 1.00 0.00 C ATOM 109 O VAL A 10 -1.264 6.942 -4.783 1.00 0.00 O ATOM 110 CB VAL A 10 -3.154 4.591 -3.277 1.00 0.00 C ATOM 111 CG1 VAL A 10 -4.142 3.516 -3.748 1.00 0.00 C ATOM 112 CG2 VAL A 10 -1.738 4.027 -3.314 1.00 0.00 C ATOM 0 H VAL A 10 -2.992 5.780 -6.031 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.127 6.438 -3.376 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.389 4.831 -2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.944 2.584 -3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.161 3.842 -3.540 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.023 3.357 -4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.719 3.057 -2.816 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.420 3.909 -4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.061 4.711 -2.802 1.00 0.00 H new ATOM 122 N LEU A 11 -1.927 7.496 -2.707 1.00 0.00 N ATOM 123 CA LEU A 11 -0.752 8.323 -2.426 1.00 0.00 C ATOM 124 C LEU A 11 0.344 7.467 -1.778 1.00 0.00 C ATOM 125 O LEU A 11 0.140 6.870 -0.719 1.00 0.00 O ATOM 126 CB LEU A 11 -1.196 9.497 -1.554 1.00 0.00 C ATOM 127 CG LEU A 11 -0.274 10.711 -1.669 1.00 0.00 C ATOM 128 CD1 LEU A 11 -0.158 11.240 -3.094 1.00 0.00 C ATOM 129 CD2 LEU A 11 -0.869 11.839 -0.846 1.00 0.00 C ATOM 0 H LEU A 11 -2.601 7.449 -1.943 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.319 8.728 -3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.208 9.789 -1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.235 9.175 -0.513 1.00 0.00 H new ATOM 0 HG LEU A 11 0.712 10.393 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.510 12.101 -3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.242 10.459 -3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.143 11.538 -3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.226 12.717 -0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.860 12.084 -1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.948 11.527 0.195 1.00 0.00 H new ATOM 141 N PHE A 12 1.371 7.249 -2.592 1.00 0.00 N ATOM 142 CA PHE A 12 2.591 6.499 -2.255 1.00 0.00 C ATOM 143 C PHE A 12 3.334 7.279 -1.184 1.00 0.00 C ATOM 144 O PHE A 12 3.633 8.461 -1.366 1.00 0.00 O ATOM 145 CB PHE A 12 3.503 6.384 -3.484 1.00 0.00 C ATOM 146 CG PHE A 12 4.858 5.723 -3.221 1.00 0.00 C ATOM 147 CD1 PHE A 12 5.897 6.509 -2.729 1.00 0.00 C ATOM 148 CD2 PHE A 12 5.075 4.367 -3.452 1.00 0.00 C ATOM 149 CE1 PHE A 12 7.128 5.948 -2.445 1.00 0.00 C ATOM 150 CE2 PHE A 12 6.312 3.809 -3.175 1.00 0.00 C ATOM 151 CZ PHE A 12 7.343 4.595 -2.666 1.00 0.00 C ATOM 0 H PHE A 12 1.383 7.603 -3.549 1.00 0.00 H new ATOM 0 HA PHE A 12 2.323 5.499 -1.913 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.981 5.816 -4.254 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.674 7.383 -3.886 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.740 7.565 -2.568 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.280 3.751 -3.846 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.923 6.563 -2.051 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.478 2.757 -3.355 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.304 4.154 -2.445 1.00 0.00 H new ATOM 161 N ILE A 13 3.678 6.549 -0.142 1.00 0.00 N ATOM 162 CA ILE A 13 4.453 7.161 0.936 1.00 0.00 C ATOM 163 C ILE A 13 5.905 6.673 0.844 1.00 0.00 C ATOM 164 O ILE A 13 6.728 7.331 0.214 1.00 0.00 O ATOM 165 CB ILE A 13 3.765 6.922 2.291 1.00 0.00 C ATOM 166 CG1 ILE A 13 2.279 7.331 2.348 1.00 0.00 C ATOM 167 CG2 ILE A 13 4.568 7.637 3.366 1.00 0.00 C ATOM 168 CD1 ILE A 13 1.935 8.719 1.794 1.00 0.00 C ATOM 0 H ILE A 13 3.447 5.564 -0.013 1.00 0.00 H new ATOM 0 HA ILE A 13 4.491 8.246 0.834 1.00 0.00 H new ATOM 0 HB ILE A 13 3.751 5.845 2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.699 6.590 1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.951 7.286 3.387 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.097 7.480 4.336 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.583 7.240 3.387 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.601 8.704 3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.863 8.893 1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.477 9.480 2.356 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.220 8.772 0.743 1.00 0.00 H new ATOM 180 N ASN A 14 6.184 5.544 1.489 1.00 0.00 N ATOM 181 CA ASN A 14 7.521 4.930 1.515 1.00 0.00 C ATOM 182 C ASN A 14 7.446 3.530 2.130 1.00 0.00 C ATOM 183 O ASN A 14 6.442 3.149 2.739 1.00 0.00 O ATOM 184 CB ASN A 14 8.457 5.805 2.356 1.00 0.00 C ATOM 185 CG ASN A 14 9.818 5.948 1.681 1.00 0.00 C ATOM 186 OD1 ASN A 14 9.976 6.489 0.595 1.00 0.00 O ATOM 187 ND2 ASN A 14 10.830 5.377 2.288 1.00 0.00 N ATOM 0 H ASN A 14 5.486 5.019 2.016 1.00 0.00 H new ATOM 0 HA ASN A 14 7.900 4.849 0.496 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.011 6.790 2.498 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.581 5.365 3.346 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.754 5.383 1.855 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.694 4.927 3.193 1.00 0.00 H new ATOM 194 N SER A 15 8.520 2.782 1.907 1.00 0.00 N ATOM 195 CA SER A 15 8.665 1.418 2.441 1.00 0.00 C ATOM 196 C SER A 15 9.602 1.453 3.648 1.00 0.00 C ATOM 197 O SER A 15 10.641 2.114 3.657 1.00 0.00 O ATOM 198 CB SER A 15 9.211 0.445 1.392 1.00 0.00 C ATOM 199 OG SER A 15 10.545 0.776 0.997 1.00 0.00 O ATOM 0 H SER A 15 9.317 3.096 1.353 1.00 0.00 H new ATOM 0 HA SER A 15 7.677 1.062 2.734 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.193 -0.568 1.793 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.561 0.453 0.517 1.00 0.00 H new ATOM 0 HG SER A 15 10.858 0.131 0.329 1.00 0.00 H new ATOM 205 N VAL A 16 9.089 0.877 4.720 1.00 0.00 N ATOM 206 CA VAL A 16 9.820 0.797 5.997 1.00 0.00 C ATOM 207 C VAL A 16 9.927 -0.659 6.446 1.00 0.00 C ATOM 208 O VAL A 16 8.932 -1.378 6.540 1.00 0.00 O ATOM 209 CB VAL A 16 9.236 1.715 7.089 1.00 0.00 C ATOM 210 CG1 VAL A 16 9.506 3.188 6.771 1.00 0.00 C ATOM 211 CG2 VAL A 16 7.734 1.536 7.273 1.00 0.00 C ATOM 0 H VAL A 16 8.162 0.451 4.743 1.00 0.00 H new ATOM 0 HA VAL A 16 10.827 1.177 5.827 1.00 0.00 H new ATOM 0 HB VAL A 16 9.736 1.425 8.013 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.083 3.813 7.557 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.581 3.356 6.712 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.046 3.445 5.817 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.381 2.208 8.055 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.223 1.766 6.338 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.523 0.505 7.558 1.00 0.00 H new ATOM 221 N GLU A 17 11.169 -1.126 6.472 1.00 0.00 N ATOM 222 CA GLU A 17 11.465 -2.522 6.840 1.00 0.00 C ATOM 223 C GLU A 17 10.956 -2.786 8.264 1.00 0.00 C ATOM 224 O GLU A 17 11.081 -1.955 9.157 1.00 0.00 O ATOM 225 CB GLU A 17 12.969 -2.797 6.757 1.00 0.00 C ATOM 226 CG GLU A 17 13.265 -4.290 6.939 1.00 0.00 C ATOM 227 CD GLU A 17 14.748 -4.563 7.177 1.00 0.00 C ATOM 228 OE1 GLU A 17 15.239 -4.134 8.243 1.00 0.00 O ATOM 229 OE2 GLU A 17 15.308 -5.317 6.356 1.00 0.00 O ATOM 0 H GLU A 17 11.992 -0.567 6.245 1.00 0.00 H new ATOM 0 HA GLU A 17 10.961 -3.190 6.141 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.351 -2.462 5.793 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.490 -2.223 7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.688 -4.672 7.781 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.935 -4.834 6.054 1.00 0.00 H new ATOM 236 N MET A 18 10.431 -3.989 8.415 1.00 0.00 N ATOM 237 CA MET A 18 9.817 -4.456 9.669 1.00 0.00 C ATOM 238 C MET A 18 10.649 -5.532 10.364 1.00 0.00 C ATOM 239 O MET A 18 10.803 -5.482 11.579 1.00 0.00 O ATOM 240 CB MET A 18 8.418 -4.980 9.357 1.00 0.00 C ATOM 241 CG MET A 18 7.516 -3.829 8.919 1.00 0.00 C ATOM 242 SD MET A 18 7.118 -2.668 10.278 1.00 0.00 S ATOM 243 CE MET A 18 8.128 -1.255 9.904 1.00 0.00 C ATOM 0 H MET A 18 10.413 -4.685 7.669 1.00 0.00 H new ATOM 0 HA MET A 18 9.765 -3.615 10.361 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.470 -5.732 8.570 1.00 0.00 H new ATOM 0 HB3 MET A 18 7.998 -5.467 10.237 1.00 0.00 H new ATOM 0 HG2 MET A 18 8.003 -3.281 8.112 1.00 0.00 H new ATOM 0 HG3 MET A 18 6.589 -4.236 8.514 1.00 0.00 H new ATOM 0 HE1 MET A 18 7.572 -0.343 10.120 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.032 -1.282 10.513 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.401 -1.272 8.849 1.00 0.00 H new ATOM 253 N GLU A 19 11.295 -6.358 9.537 1.00 0.00 N ATOM 254 CA GLU A 19 12.135 -7.517 9.914 1.00 0.00 C ATOM 255 C GLU A 19 11.266 -8.729 10.320 1.00 0.00 C ATOM 256 O GLU A 19 11.617 -9.490 11.214 1.00 0.00 O ATOM 257 CB GLU A 19 13.154 -7.104 10.998 1.00 0.00 C ATOM 258 CG GLU A 19 14.368 -8.030 11.100 1.00 0.00 C ATOM 259 CD GLU A 19 14.567 -8.563 12.524 1.00 0.00 C ATOM 260 OE1 GLU A 19 13.685 -9.311 12.994 1.00 0.00 O ATOM 261 OE2 GLU A 19 15.650 -8.284 13.081 1.00 0.00 O ATOM 0 H GLU A 19 11.248 -6.236 8.525 1.00 0.00 H new ATOM 0 HA GLU A 19 12.709 -7.842 9.046 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.499 -6.091 10.790 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.650 -7.076 11.964 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.244 -8.868 10.414 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.262 -7.491 10.786 1.00 0.00 H new ATOM 268 N SER A 20 10.197 -8.961 9.548 1.00 0.00 N ATOM 269 CA SER A 20 9.224 -10.062 9.766 1.00 0.00 C ATOM 270 C SER A 20 8.551 -9.943 11.141 1.00 0.00 C ATOM 271 O SER A 20 9.041 -10.425 12.159 1.00 0.00 O ATOM 272 CB SER A 20 9.906 -11.432 9.626 1.00 0.00 C ATOM 273 OG SER A 20 9.061 -12.535 9.952 1.00 0.00 O ATOM 0 H SER A 20 9.972 -8.384 8.738 1.00 0.00 H new ATOM 0 HA SER A 20 8.454 -9.977 8.999 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.259 -11.548 8.601 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.785 -11.457 10.271 1.00 0.00 H new ATOM 0 HG SER A 20 9.558 -13.372 9.840 1.00 0.00 H new ATOM 279 N LEU A 21 7.539 -9.083 11.172 1.00 0.00 N ATOM 280 CA LEU A 21 6.746 -8.888 12.398 1.00 0.00 C ATOM 281 C LEU A 21 5.768 -10.049 12.636 1.00 0.00 C ATOM 282 O LEU A 21 6.126 -11.061 13.227 1.00 0.00 O ATOM 283 CB LEU A 21 6.082 -7.499 12.380 1.00 0.00 C ATOM 284 CG LEU A 21 6.764 -6.411 13.225 1.00 0.00 C ATOM 285 CD1 LEU A 21 6.640 -6.722 14.712 1.00 0.00 C ATOM 286 CD2 LEU A 21 8.238 -6.233 12.880 1.00 0.00 C ATOM 0 H LEU A 21 7.245 -8.513 10.379 1.00 0.00 H new ATOM 0 HA LEU A 21 7.410 -8.906 13.262 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.038 -7.153 11.347 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.053 -7.606 12.725 1.00 0.00 H new ATOM 0 HG LEU A 21 6.247 -5.480 12.991 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.130 -5.938 15.290 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.586 -6.771 14.987 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.115 -7.680 14.924 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.667 -5.452 13.508 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.768 -7.170 13.053 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.335 -5.950 11.832 1.00 0.00 H new ATOM 298 N THR A 22 4.548 -9.884 12.132 1.00 0.00 N ATOM 299 CA THR A 22 3.445 -10.864 12.264 1.00 0.00 C ATOM 300 C THR A 22 2.263 -10.534 11.334 1.00 0.00 C ATOM 301 O THR A 22 1.796 -11.376 10.574 1.00 0.00 O ATOM 302 CB THR A 22 2.999 -11.021 13.738 1.00 0.00 C ATOM 303 OG1 THR A 22 1.870 -11.888 13.813 1.00 0.00 O ATOM 304 CG2 THR A 22 2.685 -9.706 14.466 1.00 0.00 C ATOM 0 H THR A 22 4.281 -9.051 11.607 1.00 0.00 H new ATOM 0 HA THR A 22 3.833 -11.830 11.941 1.00 0.00 H new ATOM 0 HB THR A 22 3.860 -11.446 14.255 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.593 -11.985 14.748 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.382 -9.921 15.491 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.573 -9.074 14.475 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.877 -9.188 13.950 1.00 0.00 H new ATOM 312 N GLY A 23 1.879 -9.250 11.353 1.00 0.00 N ATOM 313 CA GLY A 23 0.799 -8.723 10.497 1.00 0.00 C ATOM 314 C GLY A 23 0.220 -7.435 11.104 1.00 0.00 C ATOM 315 O GLY A 23 0.760 -6.366 10.799 1.00 0.00 O ATOM 0 H GLY A 23 2.304 -8.548 11.958 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.183 -8.521 9.497 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.012 -9.470 10.391 1.00 0.00 H new ATOM 319 N PRO A 24 -0.704 -7.540 12.079 1.00 0.00 N ATOM 320 CA PRO A 24 -1.303 -6.374 12.769 1.00 0.00 C ATOM 321 C PRO A 24 -0.367 -5.714 13.803 1.00 0.00 C ATOM 322 O PRO A 24 -0.738 -5.399 14.929 1.00 0.00 O ATOM 323 CB PRO A 24 -2.588 -6.933 13.388 1.00 0.00 C ATOM 324 CG PRO A 24 -2.208 -8.368 13.747 1.00 0.00 C ATOM 325 CD PRO A 24 -1.302 -8.795 12.591 1.00 0.00 C ATOM 0 HA PRO A 24 -1.498 -5.553 12.079 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.891 -6.365 14.267 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.420 -6.901 12.685 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -1.689 -8.419 14.704 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.087 -9.008 13.827 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.532 -9.488 12.930 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.870 -9.306 11.814 1.00 0.00 H new ATOM 333 N GLN A 25 0.874 -5.514 13.376 1.00 0.00 N ATOM 334 CA GLN A 25 1.929 -4.890 14.196 1.00 0.00 C ATOM 335 C GLN A 25 2.921 -4.105 13.338 1.00 0.00 C ATOM 336 O GLN A 25 3.019 -2.895 13.486 1.00 0.00 O ATOM 337 CB GLN A 25 2.653 -5.957 15.017 1.00 0.00 C ATOM 338 CG GLN A 25 3.042 -5.411 16.393 1.00 0.00 C ATOM 339 CD GLN A 25 4.335 -4.594 16.392 1.00 0.00 C ATOM 340 OE1 GLN A 25 4.506 -3.584 15.723 1.00 0.00 O ATOM 341 NE2 GLN A 25 5.299 -5.075 17.137 1.00 0.00 N ATOM 0 H GLN A 25 1.189 -5.780 12.443 1.00 0.00 H new ATOM 0 HA GLN A 25 1.454 -4.181 14.873 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.011 -6.830 15.135 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.546 -6.288 14.486 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.230 -4.788 16.769 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.151 -6.245 17.086 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.144 -5.918 17.690 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.205 -4.607 17.164 1.00 0.00 H new ATOM 350 N ALA A 26 3.331 -4.721 12.236 1.00 0.00 N ATOM 351 CA ALA A 26 4.214 -4.080 11.257 1.00 0.00 C ATOM 352 C ALA A 26 3.561 -2.865 10.589 1.00 0.00 C ATOM 353 O ALA A 26 4.202 -1.838 10.446 1.00 0.00 O ATOM 354 CB ALA A 26 4.555 -5.143 10.239 1.00 0.00 C ATOM 0 H ALA A 26 3.065 -5.675 11.992 1.00 0.00 H new ATOM 0 HA ALA A 26 5.107 -3.693 11.748 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.214 -4.722 9.480 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.057 -5.974 10.735 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.640 -5.501 9.767 1.00 0.00 H new ATOM 360 N ILE A 27 2.234 -2.910 10.474 1.00 0.00 N ATOM 361 CA ILE A 27 1.430 -1.779 9.979 1.00 0.00 C ATOM 362 C ILE A 27 1.475 -0.633 11.010 1.00 0.00 C ATOM 363 O ILE A 27 1.833 0.466 10.635 1.00 0.00 O ATOM 364 CB ILE A 27 -0.007 -2.211 9.622 1.00 0.00 C ATOM 365 CG1 ILE A 27 -0.002 -3.465 8.730 1.00 0.00 C ATOM 366 CG2 ILE A 27 -0.726 -1.063 8.895 1.00 0.00 C ATOM 367 CD1 ILE A 27 -1.377 -4.125 8.576 1.00 0.00 C ATOM 0 H ILE A 27 1.680 -3.730 10.720 1.00 0.00 H new ATOM 0 HA ILE A 27 1.860 -1.412 9.047 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.533 -2.450 10.546 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.373 -3.195 7.743 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.694 -4.192 9.147 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.741 -1.371 8.644 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.762 -0.188 9.544 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.185 -0.816 7.981 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.290 -5.001 7.934 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.747 -4.428 9.555 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.073 -3.415 8.129 1.00 0.00 H new ATOM 379 N SER A 28 1.493 -0.948 12.305 1.00 0.00 N ATOM 380 CA SER A 28 1.614 0.055 13.389 1.00 0.00 C ATOM 381 C SER A 28 3.058 0.574 13.543 1.00 0.00 C ATOM 382 O SER A 28 3.286 1.771 13.411 1.00 0.00 O ATOM 383 CB SER A 28 1.131 -0.552 14.711 1.00 0.00 C ATOM 384 OG SER A 28 1.405 0.316 15.809 1.00 0.00 O ATOM 0 H SER A 28 1.424 -1.908 12.644 1.00 0.00 H new ATOM 0 HA SER A 28 0.989 0.907 13.122 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.060 -0.745 14.655 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.620 -1.513 14.873 1.00 0.00 H new ATOM 0 HG SER A 28 1.085 -0.095 16.639 1.00 0.00 H new ATOM 390 N LYS A 29 4.022 -0.349 13.550 1.00 0.00 N ATOM 391 CA LYS A 29 5.473 -0.065 13.618 1.00 0.00 C ATOM 392 C LYS A 29 6.001 0.636 12.343 1.00 0.00 C ATOM 393 O LYS A 29 7.166 1.002 12.264 1.00 0.00 O ATOM 394 CB LYS A 29 6.194 -1.405 13.820 1.00 0.00 C ATOM 395 CG LYS A 29 7.453 -1.358 14.698 1.00 0.00 C ATOM 396 CD LYS A 29 7.123 -1.383 16.196 1.00 0.00 C ATOM 397 CE LYS A 29 8.354 -1.715 17.046 1.00 0.00 C ATOM 398 NZ LYS A 29 8.441 -3.146 17.394 1.00 0.00 N ATOM 0 H LYS A 29 3.817 -1.347 13.508 1.00 0.00 H new ATOM 0 HA LYS A 29 5.663 0.620 14.444 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.491 -2.112 14.262 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.470 -1.799 12.842 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.093 -2.206 14.456 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.019 -0.455 14.469 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.725 -0.414 16.496 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.342 -2.120 16.384 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.253 -1.423 16.504 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.327 -1.124 17.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.301 -3.315 17.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.606 -3.419 17.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.478 -3.713 16.523 1.00 0.00 H new ATOM 412 N ALA A 30 5.115 0.803 11.360 1.00 0.00 N ATOM 413 CA ALA A 30 5.353 1.459 10.062 1.00 0.00 C ATOM 414 C ALA A 30 4.531 2.741 9.931 1.00 0.00 C ATOM 415 O ALA A 30 5.099 3.817 9.850 1.00 0.00 O ATOM 416 CB ALA A 30 4.918 0.542 8.926 1.00 0.00 C ATOM 0 H ALA A 30 4.156 0.467 11.448 1.00 0.00 H new ATOM 0 HA ALA A 30 6.418 1.684 10.009 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.098 1.036 7.971 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.489 -0.386 8.968 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.856 0.319 9.025 1.00 0.00 H new ATOM 422 N VAL A 31 3.223 2.643 10.154 1.00 0.00 N ATOM 423 CA VAL A 31 2.297 3.791 10.157 1.00 0.00 C ATOM 424 C VAL A 31 2.744 4.808 11.222 1.00 0.00 C ATOM 425 O VAL A 31 2.800 5.989 10.918 1.00 0.00 O ATOM 426 CB VAL A 31 0.831 3.353 10.370 1.00 0.00 C ATOM 427 CG1 VAL A 31 -0.099 4.561 10.462 1.00 0.00 C ATOM 428 CG2 VAL A 31 0.301 2.499 9.216 1.00 0.00 C ATOM 0 H VAL A 31 2.761 1.753 10.342 1.00 0.00 H new ATOM 0 HA VAL A 31 2.333 4.266 9.177 1.00 0.00 H new ATOM 0 HB VAL A 31 0.838 2.778 11.296 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.124 4.221 10.612 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.201 5.188 11.301 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.039 5.137 9.539 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.733 2.218 9.416 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.349 3.070 8.289 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.909 1.599 9.120 1.00 0.00 H new ATOM 438 N ALA A 32 3.268 4.335 12.349 1.00 0.00 N ATOM 439 CA ALA A 32 3.784 5.216 13.418 1.00 0.00 C ATOM 440 C ALA A 32 5.224 5.701 13.167 1.00 0.00 C ATOM 441 O ALA A 32 5.559 6.831 13.510 1.00 0.00 O ATOM 442 CB ALA A 32 3.658 4.537 14.782 1.00 0.00 C ATOM 0 H ALA A 32 3.351 3.340 12.556 1.00 0.00 H new ATOM 0 HA ALA A 32 3.162 6.111 13.411 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.043 5.201 15.556 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.610 4.315 14.983 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.231 3.610 14.781 1.00 0.00 H new ATOM 448 N GLU A 33 5.968 4.938 12.365 1.00 0.00 N ATOM 449 CA GLU A 33 7.357 5.265 11.967 1.00 0.00 C ATOM 450 C GLU A 33 7.454 6.009 10.621 1.00 0.00 C ATOM 451 O GLU A 33 8.531 6.240 10.075 1.00 0.00 O ATOM 452 CB GLU A 33 8.159 3.964 11.905 1.00 0.00 C ATOM 453 CG GLU A 33 8.549 3.489 13.307 1.00 0.00 C ATOM 454 CD GLU A 33 9.976 3.899 13.678 1.00 0.00 C ATOM 455 OE1 GLU A 33 10.272 5.113 13.616 1.00 0.00 O ATOM 456 OE2 GLU A 33 10.733 2.980 14.055 1.00 0.00 O ATOM 0 H GLU A 33 5.628 4.064 11.964 1.00 0.00 H new ATOM 0 HA GLU A 33 7.763 5.947 12.715 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.570 3.194 11.408 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.057 4.115 11.306 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.852 3.903 14.036 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.459 2.404 13.360 1.00 0.00 H new ATOM 463 N THR A 34 6.286 6.224 10.032 1.00 0.00 N ATOM 464 CA THR A 34 6.118 6.920 8.753 1.00 0.00 C ATOM 465 C THR A 34 5.193 8.136 8.882 1.00 0.00 C ATOM 466 O THR A 34 5.471 9.156 8.267 1.00 0.00 O ATOM 467 CB THR A 34 5.674 5.878 7.716 1.00 0.00 C ATOM 468 OG1 THR A 34 6.788 5.033 7.435 1.00 0.00 O ATOM 469 CG2 THR A 34 5.175 6.474 6.415 1.00 0.00 C ATOM 0 H THR A 34 5.403 5.913 10.437 1.00 0.00 H new ATOM 0 HA THR A 34 7.058 7.355 8.413 1.00 0.00 H new ATOM 0 HB THR A 34 4.833 5.334 8.147 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.814 4.834 6.476 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.881 5.673 5.737 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.316 7.114 6.614 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.969 7.064 5.957 1.00 0.00 H new ATOM 477 N LEU A 35 4.149 8.061 9.709 1.00 0.00 N ATOM 478 CA LEU A 35 3.251 9.214 9.940 1.00 0.00 C ATOM 479 C LEU A 35 4.036 10.299 10.691 1.00 0.00 C ATOM 480 O LEU A 35 4.193 11.409 10.191 1.00 0.00 O ATOM 481 CB LEU A 35 2.041 8.813 10.796 1.00 0.00 C ATOM 482 CG LEU A 35 0.791 9.709 10.828 1.00 0.00 C ATOM 483 CD1 LEU A 35 0.150 9.544 12.202 1.00 0.00 C ATOM 484 CD2 LEU A 35 0.977 11.199 10.513 1.00 0.00 C ATOM 0 H LEU A 35 3.898 7.222 10.232 1.00 0.00 H new ATOM 0 HA LEU A 35 2.894 9.575 8.976 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.723 7.824 10.465 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.391 8.708 11.823 1.00 0.00 H new ATOM 0 HG LEU A 35 0.164 9.367 10.004 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.743 10.166 12.264 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.124 8.500 12.353 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.858 9.848 12.973 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.014 11.706 10.573 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.665 11.640 11.234 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.384 11.310 9.508 1.00 0.00 H new ATOM 496 N VAL A 36 4.665 9.882 11.787 1.00 0.00 N ATOM 497 CA VAL A 36 5.454 10.793 12.643 1.00 0.00 C ATOM 498 C VAL A 36 6.922 10.823 12.164 1.00 0.00 C ATOM 499 O VAL A 36 7.732 11.566 12.718 1.00 0.00 O ATOM 500 CB VAL A 36 5.321 10.387 14.133 1.00 0.00 C ATOM 501 CG1 VAL A 36 5.931 11.426 15.081 1.00 0.00 C ATOM 502 CG2 VAL A 36 3.862 10.184 14.561 1.00 0.00 C ATOM 0 H VAL A 36 4.649 8.916 12.113 1.00 0.00 H new ATOM 0 HA VAL A 36 5.063 11.807 12.558 1.00 0.00 H new ATOM 0 HB VAL A 36 5.866 9.446 14.207 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.811 11.093 16.112 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.992 11.543 14.859 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.425 12.382 14.947 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.827 9.901 15.613 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.308 11.112 14.416 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.412 9.395 13.958 1.00 0.00 H new ATOM 512 N ALA A 37 7.211 10.153 11.038 1.00 0.00 N ATOM 513 CA ALA A 37 8.566 10.087 10.458 1.00 0.00 C ATOM 514 C ALA A 37 9.135 11.502 10.325 1.00 0.00 C ATOM 515 O ALA A 37 8.437 12.444 9.953 1.00 0.00 O ATOM 516 CB ALA A 37 8.554 9.423 9.082 1.00 0.00 C ATOM 0 H ALA A 37 6.512 9.640 10.501 1.00 0.00 H new ATOM 0 HA ALA A 37 9.187 9.488 11.124 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.568 9.391 8.684 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.167 8.408 9.171 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.918 9.996 8.407 1.00 0.00 H new ATOM 522 N ASP A 38 10.257 11.660 11.011 1.00 0.00 N ATOM 523 CA ASP A 38 10.905 12.970 11.130 1.00 0.00 C ATOM 524 C ASP A 38 12.382 12.866 10.718 1.00 0.00 C ATOM 525 O ASP A 38 13.170 12.271 11.456 1.00 0.00 O ATOM 526 CB ASP A 38 10.706 13.538 12.540 1.00 0.00 C ATOM 527 CG ASP A 38 10.781 15.069 12.534 1.00 0.00 C ATOM 528 OD1 ASP A 38 10.142 15.679 11.646 1.00 0.00 O ATOM 529 OD2 ASP A 38 11.500 15.602 13.403 1.00 0.00 O ATOM 0 H ASP A 38 10.741 10.904 11.495 1.00 0.00 H new ATOM 0 HA ASP A 38 10.438 13.678 10.446 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.739 13.220 12.931 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.468 13.136 13.208 1.00 0.00 H new ATOM 534 N PRO A 39 12.680 13.337 9.501 1.00 0.00 N ATOM 535 CA PRO A 39 11.721 13.924 8.539 1.00 0.00 C ATOM 536 C PRO A 39 10.831 12.870 7.856 1.00 0.00 C ATOM 537 O PRO A 39 11.156 11.683 7.849 1.00 0.00 O ATOM 538 CB PRO A 39 12.596 14.693 7.551 1.00 0.00 C ATOM 539 CG PRO A 39 13.899 13.894 7.530 1.00 0.00 C ATOM 540 CD PRO A 39 14.056 13.394 8.969 1.00 0.00 C ATOM 0 HA PRO A 39 10.999 14.573 9.034 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.139 14.741 6.563 1.00 0.00 H new ATOM 0 HB3 PRO A 39 12.760 15.720 7.876 1.00 0.00 H new ATOM 0 HG2 PRO A 39 13.847 13.065 6.824 1.00 0.00 H new ATOM 0 HG3 PRO A 39 14.743 14.516 7.230 1.00 0.00 H new ATOM 0 HD2 PRO A 39 14.532 12.414 8.997 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.679 14.068 9.556 1.00 0.00 H new ATOM 548 N THR A 40 9.634 13.312 7.482 1.00 0.00 N ATOM 549 CA THR A 40 8.635 12.433 6.838 1.00 0.00 C ATOM 550 C THR A 40 8.906 12.276 5.329 1.00 0.00 C ATOM 551 O THR A 40 9.416 13.216 4.712 1.00 0.00 O ATOM 552 CB THR A 40 7.191 12.866 7.178 1.00 0.00 C ATOM 553 OG1 THR A 40 6.411 11.675 7.276 1.00 0.00 O ATOM 554 CG2 THR A 40 6.511 13.829 6.196 1.00 0.00 C ATOM 0 H THR A 40 9.322 14.275 7.610 1.00 0.00 H new ATOM 0 HA THR A 40 8.742 11.432 7.257 1.00 0.00 H new ATOM 0 HB THR A 40 7.256 13.436 8.105 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.484 11.908 7.493 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.504 14.055 6.547 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.089 14.751 6.132 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.456 13.366 5.211 1.00 0.00 H new ATOM 562 N PRO A 41 8.643 11.093 4.758 1.00 0.00 N ATOM 563 CA PRO A 41 8.763 10.884 3.307 1.00 0.00 C ATOM 564 C PRO A 41 7.657 11.623 2.547 1.00 0.00 C ATOM 565 O PRO A 41 6.573 11.899 3.066 1.00 0.00 O ATOM 566 CB PRO A 41 8.705 9.371 3.119 1.00 0.00 C ATOM 567 CG PRO A 41 7.863 8.895 4.302 1.00 0.00 C ATOM 568 CD PRO A 41 8.264 9.836 5.435 1.00 0.00 C ATOM 0 HA PRO A 41 9.691 11.289 2.902 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.247 9.102 2.167 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.700 8.927 3.131 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.797 8.960 4.086 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.075 7.855 4.551 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.440 9.993 6.130 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.095 9.430 6.012 1.00 0.00 H new ATOM 576 N THR A 42 8.003 11.972 1.317 1.00 0.00 N ATOM 577 CA THR A 42 7.101 12.694 0.401 1.00 0.00 C ATOM 578 C THR A 42 6.054 11.715 -0.146 1.00 0.00 C ATOM 579 O THR A 42 6.286 10.518 -0.296 1.00 0.00 O ATOM 580 CB THR A 42 7.917 13.386 -0.707 1.00 0.00 C ATOM 581 OG1 THR A 42 8.833 14.282 -0.069 1.00 0.00 O ATOM 582 CG2 THR A 42 7.074 14.186 -1.710 1.00 0.00 C ATOM 0 H THR A 42 8.918 11.767 0.915 1.00 0.00 H new ATOM 0 HA THR A 42 6.567 13.483 0.930 1.00 0.00 H new ATOM 0 HB THR A 42 8.410 12.602 -1.282 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.371 14.739 -0.749 1.00 0.00 H new ATOM 0 HG21 THR A 42 7.728 14.640 -2.455 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.368 13.519 -2.205 1.00 0.00 H new ATOM 0 HG23 THR A 42 6.527 14.968 -1.183 1.00 0.00 H new ATOM 590 N ALA A 43 4.885 12.282 -0.393 1.00 0.00 N ATOM 591 CA ALA A 43 3.731 11.545 -0.916 1.00 0.00 C ATOM 592 C ALA A 43 3.565 11.783 -2.425 1.00 0.00 C ATOM 593 O ALA A 43 3.615 12.912 -2.917 1.00 0.00 O ATOM 594 CB ALA A 43 2.536 12.030 -0.104 1.00 0.00 C ATOM 0 H ALA A 43 4.702 13.273 -0.237 1.00 0.00 H new ATOM 0 HA ALA A 43 3.847 10.466 -0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.635 11.519 -0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.701 11.814 0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.416 13.105 -0.239 1.00 0.00 H new ATOM 600 N THR A 44 3.530 10.678 -3.160 1.00 0.00 N ATOM 601 CA THR A 44 3.395 10.690 -4.634 1.00 0.00 C ATOM 602 C THR A 44 2.145 9.943 -5.127 1.00 0.00 C ATOM 603 O THR A 44 1.807 8.877 -4.629 1.00 0.00 O ATOM 604 CB THR A 44 4.722 10.189 -5.234 1.00 0.00 C ATOM 605 OG1 THR A 44 5.646 11.275 -5.168 1.00 0.00 O ATOM 606 CG2 THR A 44 4.659 9.684 -6.674 1.00 0.00 C ATOM 0 H THR A 44 3.594 9.741 -2.762 1.00 0.00 H new ATOM 0 HA THR A 44 3.222 11.706 -4.988 1.00 0.00 H new ATOM 0 HB THR A 44 5.017 9.318 -4.649 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.508 10.994 -5.541 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.650 9.358 -6.989 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.965 8.846 -6.736 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.317 10.487 -7.327 1.00 0.00 H new ATOM 614 N ILE A 45 1.492 10.499 -6.146 1.00 0.00 N ATOM 615 CA ILE A 45 0.269 9.899 -6.730 1.00 0.00 C ATOM 616 C ILE A 45 0.693 8.685 -7.575 1.00 0.00 C ATOM 617 O ILE A 45 1.349 8.817 -8.613 1.00 0.00 O ATOM 618 CB ILE A 45 -0.526 10.886 -7.610 1.00 0.00 C ATOM 619 CG1 ILE A 45 -0.816 12.238 -6.936 1.00 0.00 C ATOM 620 CG2 ILE A 45 -1.803 10.244 -8.183 1.00 0.00 C ATOM 621 CD1 ILE A 45 -1.899 12.335 -5.862 1.00 0.00 C ATOM 0 H ILE A 45 1.782 11.368 -6.594 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.391 9.611 -5.912 1.00 0.00 H new ATOM 0 HB ILE A 45 0.134 11.119 -8.446 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.116 12.585 -6.490 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.075 12.945 -7.724 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.333 10.973 -8.796 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.534 9.382 -8.794 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.447 9.922 -7.365 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.963 13.362 -5.501 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.859 12.039 -6.285 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.649 11.674 -5.032 1.00 0.00 H new ATOM 633 N VAL A 46 0.336 7.524 -7.051 1.00 0.00 N ATOM 634 CA VAL A 46 0.548 6.235 -7.732 1.00 0.00 C ATOM 635 C VAL A 46 -0.782 5.517 -7.997 1.00 0.00 C ATOM 636 O VAL A 46 -1.814 5.811 -7.391 1.00 0.00 O ATOM 637 CB VAL A 46 1.544 5.317 -6.999 1.00 0.00 C ATOM 638 CG1 VAL A 46 2.949 5.927 -6.998 1.00 0.00 C ATOM 639 CG2 VAL A 46 1.087 4.952 -5.584 1.00 0.00 C ATOM 0 H VAL A 46 -0.111 7.437 -6.138 1.00 0.00 H new ATOM 0 HA VAL A 46 1.005 6.472 -8.693 1.00 0.00 H new ATOM 0 HB VAL A 46 1.579 4.380 -7.555 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.635 5.261 -6.475 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.288 6.062 -8.025 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.926 6.893 -6.493 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.829 4.304 -5.118 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.975 5.860 -4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.131 4.431 -5.633 1.00 0.00 H new ATOM 649 N HIS A 47 -0.709 4.571 -8.918 1.00 0.00 N ATOM 650 CA HIS A 47 -1.882 3.791 -9.336 1.00 0.00 C ATOM 651 C HIS A 47 -1.704 2.331 -8.904 1.00 0.00 C ATOM 652 O HIS A 47 -0.741 1.671 -9.297 1.00 0.00 O ATOM 653 CB HIS A 47 -2.029 3.912 -10.850 1.00 0.00 C ATOM 654 CG HIS A 47 -3.492 3.975 -11.294 1.00 0.00 C ATOM 655 ND1 HIS A 47 -4.144 5.070 -11.654 1.00 0.00 N ATOM 656 CD2 HIS A 47 -4.297 2.938 -11.434 1.00 0.00 C ATOM 657 CE1 HIS A 47 -5.369 4.705 -12.040 1.00 0.00 C ATOM 658 NE2 HIS A 47 -5.461 3.392 -11.892 1.00 0.00 N ATOM 0 H HIS A 47 0.154 4.317 -9.399 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.788 4.170 -8.864 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -1.510 4.808 -11.192 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.544 3.061 -11.328 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -3.776 6.021 -11.639 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.055 1.908 -11.216 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -6.144 5.361 -12.406 1.00 0.00 H new ATOM 666 N PHE A 48 -2.556 1.960 -7.956 1.00 0.00 N ATOM 667 CA PHE A 48 -2.586 0.630 -7.325 1.00 0.00 C ATOM 668 C PHE A 48 -3.354 -0.340 -8.230 1.00 0.00 C ATOM 669 O PHE A 48 -4.567 -0.229 -8.423 1.00 0.00 O ATOM 670 CB PHE A 48 -3.286 0.730 -5.969 1.00 0.00 C ATOM 671 CG PHE A 48 -2.662 -0.138 -4.884 1.00 0.00 C ATOM 672 CD1 PHE A 48 -2.950 -1.493 -4.768 1.00 0.00 C ATOM 673 CD2 PHE A 48 -1.848 0.471 -3.937 1.00 0.00 C ATOM 674 CE1 PHE A 48 -2.417 -2.215 -3.711 1.00 0.00 C ATOM 675 CE2 PHE A 48 -1.302 -0.245 -2.893 1.00 0.00 C ATOM 676 CZ PHE A 48 -1.580 -1.604 -2.777 1.00 0.00 C ATOM 0 H PHE A 48 -3.270 2.589 -7.588 1.00 0.00 H new ATOM 0 HA PHE A 48 -1.569 0.266 -7.182 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.273 1.769 -5.641 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.332 0.447 -6.090 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.584 -1.979 -5.495 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.639 1.527 -4.020 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.653 -3.264 -3.609 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.664 0.244 -2.172 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.151 -2.181 -1.971 1.00 0.00 H new ATOM 686 N LYS A 49 -2.563 -1.180 -8.877 1.00 0.00 N ATOM 687 CA LYS A 49 -3.042 -2.212 -9.807 1.00 0.00 C ATOM 688 C LYS A 49 -2.865 -3.597 -9.194 1.00 0.00 C ATOM 689 O LYS A 49 -1.940 -3.853 -8.427 1.00 0.00 O ATOM 690 CB LYS A 49 -2.297 -2.119 -11.137 1.00 0.00 C ATOM 691 CG LYS A 49 -3.295 -1.717 -12.219 1.00 0.00 C ATOM 692 CD LYS A 49 -2.635 -1.366 -13.551 1.00 0.00 C ATOM 693 CE LYS A 49 -2.728 -2.494 -14.579 1.00 0.00 C ATOM 694 NZ LYS A 49 -1.957 -2.108 -15.769 1.00 0.00 N ATOM 0 H LYS A 49 -1.548 -1.171 -8.774 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.103 -2.046 -9.994 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.493 -1.386 -11.071 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.837 -3.076 -11.382 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.000 -2.534 -12.375 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.872 -0.860 -11.871 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.105 -0.471 -13.958 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.586 -1.125 -13.378 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.338 -3.421 -14.160 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.769 -2.678 -14.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.011 -2.866 -16.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.350 -1.232 -16.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.964 -1.952 -15.504 1.00 0.00 H new ATOM 708 N VAL A 50 -3.878 -4.404 -9.452 1.00 0.00 N ATOM 709 CA VAL A 50 -4.015 -5.732 -8.837 1.00 0.00 C ATOM 710 C VAL A 50 -4.280 -6.787 -9.901 1.00 0.00 C ATOM 711 O VAL A 50 -5.383 -6.907 -10.428 1.00 0.00 O ATOM 712 CB VAL A 50 -5.087 -5.792 -7.740 1.00 0.00 C ATOM 713 CG1 VAL A 50 -4.355 -6.113 -6.447 1.00 0.00 C ATOM 714 CG2 VAL A 50 -5.939 -4.528 -7.563 1.00 0.00 C ATOM 0 H VAL A 50 -4.635 -4.166 -10.093 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.065 -5.941 -8.346 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.814 -6.550 -8.032 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.071 -6.168 -5.627 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.843 -7.070 -6.547 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.625 -5.331 -6.238 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.661 -4.685 -6.762 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.294 -3.687 -7.310 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.468 -4.313 -8.491 1.00 0.00 H new ATOM 724 N SER A 51 -3.197 -7.450 -10.271 1.00 0.00 N ATOM 725 CA SER A 51 -3.216 -8.458 -11.349 1.00 0.00 C ATOM 726 C SER A 51 -2.721 -9.791 -10.786 1.00 0.00 C ATOM 727 O SER A 51 -2.131 -9.804 -9.711 1.00 0.00 O ATOM 728 CB SER A 51 -2.348 -8.023 -12.535 1.00 0.00 C ATOM 729 OG SER A 51 -0.953 -8.176 -12.253 1.00 0.00 O ATOM 0 H SER A 51 -2.280 -7.315 -9.844 1.00 0.00 H new ATOM 0 HA SER A 51 -4.237 -8.566 -11.716 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.609 -8.614 -13.413 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.558 -6.981 -12.778 1.00 0.00 H new ATOM 0 HG SER A 51 -0.429 -7.891 -13.031 1.00 0.00 H new ATOM 735 N ALA A 52 -2.955 -10.890 -11.501 1.00 0.00 N ATOM 736 CA ALA A 52 -2.508 -12.242 -11.086 1.00 0.00 C ATOM 737 C ALA A 52 -1.048 -12.298 -10.588 1.00 0.00 C ATOM 738 O ALA A 52 -0.742 -13.016 -9.640 1.00 0.00 O ATOM 739 CB ALA A 52 -2.715 -13.220 -12.244 1.00 0.00 C ATOM 0 H ALA A 52 -3.460 -10.881 -12.387 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.119 -12.525 -10.229 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.388 -14.215 -11.943 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.772 -13.251 -12.510 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.133 -12.892 -13.106 1.00 0.00 H new ATOM 745 N GLN A 53 -0.231 -11.378 -11.110 1.00 0.00 N ATOM 746 CA GLN A 53 1.152 -11.129 -10.660 1.00 0.00 C ATOM 747 C GLN A 53 1.220 -10.686 -9.181 1.00 0.00 C ATOM 748 O GLN A 53 1.948 -11.283 -8.389 1.00 0.00 O ATOM 749 CB GLN A 53 1.741 -10.045 -11.563 1.00 0.00 C ATOM 750 CG GLN A 53 3.269 -10.117 -11.584 1.00 0.00 C ATOM 751 CD GLN A 53 3.821 -10.388 -12.987 1.00 0.00 C ATOM 752 OE1 GLN A 53 3.125 -10.579 -13.979 1.00 0.00 O ATOM 753 NE2 GLN A 53 5.128 -10.363 -13.093 1.00 0.00 N ATOM 0 H GLN A 53 -0.515 -10.768 -11.876 1.00 0.00 H new ATOM 0 HA GLN A 53 1.721 -12.056 -10.729 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.354 -10.161 -12.575 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.425 -9.063 -11.211 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.679 -9.179 -11.210 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.602 -10.904 -10.907 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.704 -10.204 -12.266 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.569 -10.503 -14.002 1.00 0.00 H new ATOM 762 N GLY A 54 0.415 -9.672 -8.833 1.00 0.00 N ATOM 763 CA GLY A 54 0.298 -9.129 -7.468 1.00 0.00 C ATOM 764 C GLY A 54 -0.260 -7.702 -7.483 1.00 0.00 C ATOM 765 O GLY A 54 -1.267 -7.405 -8.125 1.00 0.00 O ATOM 0 H GLY A 54 -0.186 -9.195 -9.505 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.353 -9.770 -6.874 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.276 -9.134 -6.987 1.00 0.00 H new ATOM 769 N ILE A 55 0.543 -6.828 -6.895 1.00 0.00 N ATOM 770 CA ILE A 55 0.282 -5.387 -6.742 1.00 0.00 C ATOM 771 C ILE A 55 1.248 -4.620 -7.667 1.00 0.00 C ATOM 772 O ILE A 55 2.408 -4.976 -7.839 1.00 0.00 O ATOM 773 CB ILE A 55 0.523 -4.974 -5.275 1.00 0.00 C ATOM 774 CG1 ILE A 55 -0.125 -5.891 -4.218 1.00 0.00 C ATOM 775 CG2 ILE A 55 0.182 -3.500 -5.047 1.00 0.00 C ATOM 776 CD1 ILE A 55 -1.604 -6.257 -4.382 1.00 0.00 C ATOM 0 H ILE A 55 1.437 -7.107 -6.490 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.750 -5.157 -7.007 1.00 0.00 H new ATOM 0 HB ILE A 55 1.593 -5.109 -5.119 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.446 -6.819 -4.188 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.007 -5.413 -3.246 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.363 -3.242 -4.004 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.807 -2.879 -5.688 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.867 -3.328 -5.287 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.911 -6.906 -3.562 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.207 -5.349 -4.372 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.747 -6.777 -5.329 1.00 0.00 H new ATOM 788 N THR A 56 0.754 -3.550 -8.263 1.00 0.00 N ATOM 789 CA THR A 56 1.537 -2.689 -9.172 1.00 0.00 C ATOM 790 C THR A 56 1.243 -1.224 -8.853 1.00 0.00 C ATOM 791 O THR A 56 0.117 -0.871 -8.517 1.00 0.00 O ATOM 792 CB THR A 56 1.228 -3.080 -10.628 1.00 0.00 C ATOM 793 OG1 THR A 56 1.700 -4.418 -10.808 1.00 0.00 O ATOM 794 CG2 THR A 56 1.864 -2.170 -11.685 1.00 0.00 C ATOM 0 H THR A 56 -0.209 -3.240 -8.138 1.00 0.00 H new ATOM 0 HA THR A 56 2.609 -2.830 -9.031 1.00 0.00 H new ATOM 0 HB THR A 56 0.153 -2.980 -10.777 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.520 -4.708 -11.727 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.592 -2.522 -12.680 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.505 -1.150 -11.550 1.00 0.00 H new ATOM 0 HG23 THR A 56 2.948 -2.190 -11.577 1.00 0.00 H new ATOM 802 N LEU A 57 2.325 -0.464 -8.768 1.00 0.00 N ATOM 803 CA LEU A 57 2.276 0.971 -8.445 1.00 0.00 C ATOM 804 C LEU A 57 3.005 1.778 -9.514 1.00 0.00 C ATOM 805 O LEU A 57 4.215 1.638 -9.698 1.00 0.00 O ATOM 806 CB LEU A 57 2.891 1.213 -7.065 1.00 0.00 C ATOM 807 CG LEU A 57 2.093 0.463 -5.998 1.00 0.00 C ATOM 808 CD1 LEU A 57 3.000 0.091 -4.830 1.00 0.00 C ATOM 809 CD2 LEU A 57 0.915 1.311 -5.526 1.00 0.00 C ATOM 0 H LEU A 57 3.269 -0.818 -8.920 1.00 0.00 H new ATOM 0 HA LEU A 57 1.237 1.298 -8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.929 0.879 -7.057 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.898 2.280 -6.843 1.00 0.00 H new ATOM 0 HG LEU A 57 1.698 -0.456 -6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.422 -0.443 -4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.809 -0.547 -5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.419 0.997 -4.392 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.355 0.765 -4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.285 2.245 -5.103 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.262 1.529 -6.371 1.00 0.00 H new ATOM 821 N THR A 58 2.185 2.436 -10.318 1.00 0.00 N ATOM 822 CA THR A 58 2.668 3.248 -11.453 1.00 0.00 C ATOM 823 C THR A 58 2.628 4.735 -11.097 1.00 0.00 C ATOM 824 O THR A 58 1.723 5.211 -10.410 1.00 0.00 O ATOM 825 CB THR A 58 1.832 3.001 -12.720 1.00 0.00 C ATOM 826 OG1 THR A 58 0.492 3.445 -12.509 1.00 0.00 O ATOM 827 CG2 THR A 58 1.825 1.527 -13.140 1.00 0.00 C ATOM 0 H THR A 58 1.170 2.431 -10.214 1.00 0.00 H new ATOM 0 HA THR A 58 3.696 2.948 -11.656 1.00 0.00 H new ATOM 0 HB THR A 58 2.295 3.568 -13.528 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.036 3.287 -13.319 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.221 1.408 -14.039 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.845 1.202 -13.343 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.404 0.922 -12.337 1.00 0.00 H new ATOM 835 N ASP A 59 3.685 5.424 -11.504 1.00 0.00 N ATOM 836 CA ASP A 59 3.801 6.868 -11.287 1.00 0.00 C ATOM 837 C ASP A 59 3.008 7.671 -12.324 1.00 0.00 C ATOM 838 O ASP A 59 3.332 7.667 -13.508 1.00 0.00 O ATOM 839 CB ASP A 59 5.278 7.240 -11.323 1.00 0.00 C ATOM 840 CG ASP A 59 5.608 8.312 -10.290 1.00 0.00 C ATOM 841 OD1 ASP A 59 4.872 8.369 -9.283 1.00 0.00 O ATOM 842 OD2 ASP A 59 6.568 9.064 -10.522 1.00 0.00 O ATOM 0 H ASP A 59 4.480 5.008 -11.989 1.00 0.00 H new ATOM 0 HA ASP A 59 3.374 7.117 -10.316 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.883 6.353 -11.135 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.540 7.599 -12.318 1.00 0.00 H new ATOM 847 N ASN A 60 1.946 8.293 -11.830 1.00 0.00 N ATOM 848 CA ASN A 60 1.104 9.197 -12.642 1.00 0.00 C ATOM 849 C ASN A 60 1.083 10.653 -12.161 1.00 0.00 C ATOM 850 O ASN A 60 0.404 11.495 -12.743 1.00 0.00 O ATOM 851 CB ASN A 60 -0.327 8.665 -12.732 1.00 0.00 C ATOM 852 CG ASN A 60 -0.477 7.654 -13.868 1.00 0.00 C ATOM 853 OD1 ASN A 60 -0.242 7.916 -15.038 1.00 0.00 O ATOM 854 ND2 ASN A 60 -0.907 6.462 -13.535 1.00 0.00 N ATOM 0 H ASN A 60 1.635 8.194 -10.863 1.00 0.00 H new ATOM 0 HA ASN A 60 1.570 9.209 -13.628 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.602 8.196 -11.787 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.016 9.495 -12.889 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.046 5.751 -14.253 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.103 6.245 -12.558 1.00 0.00 H new ATOM 861 N GLN A 61 1.820 10.917 -11.082 1.00 0.00 N ATOM 862 CA GLN A 61 1.942 12.270 -10.520 1.00 0.00 C ATOM 863 C GLN A 61 2.645 13.235 -11.493 1.00 0.00 C ATOM 864 O GLN A 61 2.005 14.038 -12.163 1.00 0.00 O ATOM 865 CB GLN A 61 2.604 12.211 -9.133 1.00 0.00 C ATOM 866 CG GLN A 61 2.751 13.595 -8.480 1.00 0.00 C ATOM 867 CD GLN A 61 1.418 14.337 -8.336 1.00 0.00 C ATOM 868 OE1 GLN A 61 0.668 14.595 -9.265 1.00 0.00 O ATOM 869 NE2 GLN A 61 1.071 14.673 -7.120 1.00 0.00 N ATOM 0 H GLN A 61 2.347 10.207 -10.573 1.00 0.00 H new ATOM 0 HA GLN A 61 0.943 12.683 -10.381 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.013 11.568 -8.481 1.00 0.00 H new ATOM 0 HB3 GLN A 61 3.588 11.752 -9.225 1.00 0.00 H new ATOM 0 HG2 GLN A 61 3.204 13.479 -7.495 1.00 0.00 H new ATOM 0 HG3 GLN A 61 3.434 14.200 -9.076 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.689 14.463 -6.337 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.182 15.145 -6.955 1.00 0.00 H new ATOM 878 N ARG A 62 3.969 13.126 -11.530 1.00 0.00 N ATOM 879 CA ARG A 62 4.840 13.975 -12.365 1.00 0.00 C ATOM 880 C ARG A 62 6.099 13.237 -12.840 1.00 0.00 C ATOM 881 O ARG A 62 7.173 13.815 -13.005 1.00 0.00 O ATOM 882 CB ARG A 62 5.213 15.235 -11.582 1.00 0.00 C ATOM 883 CG ARG A 62 4.415 16.424 -12.114 1.00 0.00 C ATOM 884 CD ARG A 62 5.324 17.625 -12.380 1.00 0.00 C ATOM 885 NE ARG A 62 5.847 18.179 -11.118 1.00 0.00 N ATOM 886 CZ ARG A 62 6.586 19.283 -10.995 1.00 0.00 C ATOM 887 NH1 ARG A 62 6.962 19.990 -12.054 1.00 0.00 N ATOM 888 NH2 ARG A 62 6.972 19.696 -9.799 1.00 0.00 N ATOM 0 H ARG A 62 4.483 12.440 -10.977 1.00 0.00 H new ATOM 0 HA ARG A 62 4.286 14.247 -13.263 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.006 15.091 -10.522 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.281 15.430 -11.675 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.904 16.140 -13.034 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.645 16.700 -11.394 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.153 17.324 -13.021 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.769 18.394 -12.917 1.00 0.00 H new ATOM 0 HE ARG A 62 5.624 17.672 -10.261 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.686 19.693 -12.990 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.527 20.830 -11.932 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.705 19.170 -8.967 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.537 20.540 -9.709 1.00 0.00 H new ATOM 902 N LYS A 63 5.932 11.926 -13.024 1.00 0.00 N ATOM 903 CA LYS A 63 7.010 10.993 -13.407 1.00 0.00 C ATOM 904 C LYS A 63 8.115 11.073 -12.329 1.00 0.00 C ATOM 905 O LYS A 63 7.775 11.195 -11.153 1.00 0.00 O ATOM 906 CB LYS A 63 7.477 11.325 -14.834 1.00 0.00 C ATOM 907 CG LYS A 63 8.055 10.077 -15.501 1.00 0.00 C ATOM 908 CD LYS A 63 9.303 10.357 -16.343 1.00 0.00 C ATOM 909 CE LYS A 63 9.021 11.120 -17.637 1.00 0.00 C ATOM 910 NZ LYS A 63 10.094 10.821 -18.596 1.00 0.00 N ATOM 0 H LYS A 63 5.028 11.467 -12.910 1.00 0.00 H new ATOM 0 HA LYS A 63 6.678 9.955 -13.440 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.640 11.705 -15.420 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.230 12.113 -14.805 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.302 9.345 -14.732 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.291 9.627 -16.136 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.012 10.928 -15.744 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.783 9.410 -16.589 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.054 10.827 -18.047 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.974 12.192 -17.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.918 11.333 -19.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.008 11.120 -18.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.116 9.798 -18.784 1.00 0.00 H new ATOM 924 N LEU A 64 9.395 11.035 -12.719 1.00 0.00 N ATOM 925 CA LEU A 64 10.600 11.099 -11.852 1.00 0.00 C ATOM 926 C LEU A 64 10.892 9.718 -11.235 1.00 0.00 C ATOM 927 O LEU A 64 11.986 9.183 -11.405 1.00 0.00 O ATOM 928 CB LEU A 64 10.446 12.208 -10.789 1.00 0.00 C ATOM 929 CG LEU A 64 11.709 12.802 -10.167 1.00 0.00 C ATOM 930 CD1 LEU A 64 11.328 14.147 -9.547 1.00 0.00 C ATOM 931 CD2 LEU A 64 12.291 11.903 -9.073 1.00 0.00 C ATOM 0 H LEU A 64 9.643 10.954 -13.705 1.00 0.00 H new ATOM 0 HA LEU A 64 11.466 11.365 -12.459 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.883 13.025 -11.241 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.834 11.809 -9.980 1.00 0.00 H new ATOM 0 HG LEU A 64 12.467 12.907 -10.944 1.00 0.00 H new ATOM 0 HD11 LEU A 64 12.209 14.601 -9.092 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.939 14.808 -10.322 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.565 13.993 -8.784 1.00 0.00 H new ATOM 0 HD21 LEU A 64 13.187 12.366 -8.660 1.00 0.00 H new ATOM 0 HD22 LEU A 64 11.554 11.770 -8.281 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.547 10.932 -9.498 1.00 0.00 H new ATOM 943 N PHE A 65 9.841 9.085 -10.723 1.00 0.00 N ATOM 944 CA PHE A 65 9.881 7.703 -10.216 1.00 0.00 C ATOM 945 C PHE A 65 9.216 6.747 -11.218 1.00 0.00 C ATOM 946 O PHE A 65 8.167 7.035 -11.786 1.00 0.00 O ATOM 947 CB PHE A 65 9.193 7.695 -8.842 1.00 0.00 C ATOM 948 CG PHE A 65 8.703 6.328 -8.363 1.00 0.00 C ATOM 949 CD1 PHE A 65 9.577 5.264 -8.158 1.00 0.00 C ATOM 950 CD2 PHE A 65 7.334 6.130 -8.218 1.00 0.00 C ATOM 951 CE1 PHE A 65 9.078 4.018 -7.812 1.00 0.00 C ATOM 952 CE2 PHE A 65 6.833 4.888 -7.876 1.00 0.00 C ATOM 953 CZ PHE A 65 7.707 3.824 -7.666 1.00 0.00 C ATOM 0 H PHE A 65 8.921 9.518 -10.644 1.00 0.00 H new ATOM 0 HA PHE A 65 10.906 7.352 -10.100 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.889 8.092 -8.103 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.342 8.376 -8.876 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.642 5.409 -8.268 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.655 6.955 -8.374 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.757 3.193 -7.655 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.768 4.743 -7.772 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.323 2.853 -7.391 1.00 0.00 H new ATOM 963 N PHE A 66 9.875 5.613 -11.423 1.00 0.00 N ATOM 964 CA PHE A 66 9.382 4.532 -12.304 1.00 0.00 C ATOM 965 C PHE A 66 8.169 3.825 -11.666 1.00 0.00 C ATOM 966 O PHE A 66 7.624 4.260 -10.657 1.00 0.00 O ATOM 967 CB PHE A 66 10.516 3.526 -12.562 1.00 0.00 C ATOM 968 CG PHE A 66 11.828 4.189 -12.973 1.00 0.00 C ATOM 969 CD1 PHE A 66 12.064 4.577 -14.288 1.00 0.00 C ATOM 970 CD2 PHE A 66 12.777 4.448 -11.987 1.00 0.00 C ATOM 971 CE1 PHE A 66 13.250 5.213 -14.615 1.00 0.00 C ATOM 972 CE2 PHE A 66 13.960 5.086 -12.316 1.00 0.00 C ATOM 973 CZ PHE A 66 14.202 5.470 -13.630 1.00 0.00 C ATOM 0 H PHE A 66 10.773 5.405 -10.986 1.00 0.00 H new ATOM 0 HA PHE A 66 9.062 4.962 -13.253 1.00 0.00 H new ATOM 0 HB2 PHE A 66 10.682 2.936 -11.660 1.00 0.00 H new ATOM 0 HB3 PHE A 66 10.207 2.833 -13.344 1.00 0.00 H new ATOM 0 HD1 PHE A 66 11.325 4.383 -15.051 1.00 0.00 H new ATOM 0 HD2 PHE A 66 12.590 4.151 -10.966 1.00 0.00 H new ATOM 0 HE1 PHE A 66 13.438 5.511 -15.636 1.00 0.00 H new ATOM 0 HE2 PHE A 66 14.696 5.286 -11.551 1.00 0.00 H new ATOM 0 HZ PHE A 66 15.126 5.967 -13.887 1.00 0.00 H new ATOM 983 N ARG A 67 7.780 2.696 -12.244 1.00 0.00 N ATOM 984 CA ARG A 67 6.703 1.860 -11.689 1.00 0.00 C ATOM 985 C ARG A 67 7.298 0.560 -11.140 1.00 0.00 C ATOM 986 O ARG A 67 8.237 -0.011 -11.696 1.00 0.00 O ATOM 987 CB ARG A 67 5.642 1.564 -12.756 1.00 0.00 C ATOM 988 CG ARG A 67 6.214 0.800 -13.952 1.00 0.00 C ATOM 989 CD ARG A 67 5.924 1.523 -15.260 1.00 0.00 C ATOM 990 NE ARG A 67 4.600 1.119 -15.754 1.00 0.00 N ATOM 991 CZ ARG A 67 4.160 1.306 -16.998 1.00 0.00 C ATOM 992 NH1 ARG A 67 4.904 1.922 -17.908 1.00 0.00 N ATOM 993 NH2 ARG A 67 2.969 0.859 -17.357 1.00 0.00 N ATOM 0 H ARG A 67 8.192 2.330 -13.102 1.00 0.00 H new ATOM 0 HA ARG A 67 6.216 2.399 -10.877 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.834 0.983 -12.310 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.207 2.502 -13.102 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.291 0.682 -13.830 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.786 -0.202 -13.985 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.954 2.602 -15.107 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.689 1.284 -15.999 1.00 0.00 H new ATOM 0 HE ARG A 67 3.970 0.661 -15.095 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.833 2.263 -17.661 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.547 2.054 -18.854 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.383 0.369 -16.681 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.636 1.004 -18.310 1.00 0.00 H new ATOM 1007 N ARG A 68 6.705 0.126 -10.043 1.00 0.00 N ATOM 1008 CA ARG A 68 7.059 -1.156 -9.416 1.00 0.00 C ATOM 1009 C ARG A 68 5.933 -2.189 -9.507 1.00 0.00 C ATOM 1010 O ARG A 68 4.749 -1.848 -9.548 1.00 0.00 O ATOM 1011 CB ARG A 68 7.447 -0.954 -7.953 1.00 0.00 C ATOM 1012 CG ARG A 68 6.366 -0.309 -7.074 1.00 0.00 C ATOM 1013 CD ARG A 68 6.650 -0.509 -5.582 1.00 0.00 C ATOM 1014 NE ARG A 68 7.992 -0.017 -5.225 1.00 0.00 N ATOM 1015 CZ ARG A 68 9.110 -0.753 -5.169 1.00 0.00 C ATOM 1016 NH1 ARG A 68 9.127 -2.051 -5.453 1.00 0.00 N ATOM 1017 NH2 ARG A 68 10.264 -0.164 -4.913 1.00 0.00 N ATOM 0 H ARG A 68 5.970 0.639 -9.557 1.00 0.00 H new ATOM 0 HA ARG A 68 7.911 -1.545 -9.973 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.710 -1.922 -7.526 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.343 -0.334 -7.913 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.308 0.757 -7.293 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.395 -0.738 -7.320 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.898 0.016 -4.992 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.569 -1.567 -5.332 1.00 0.00 H new ATOM 0 HE ARG A 68 8.078 0.974 -5.000 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.266 -2.525 -5.726 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.001 -2.574 -5.398 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.299 0.844 -4.760 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.120 -0.717 -4.869 1.00 0.00 H new ATOM 1031 N HIS A 69 6.355 -3.445 -9.416 1.00 0.00 N ATOM 1032 CA HIS A 69 5.428 -4.587 -9.380 1.00 0.00 C ATOM 1033 C HIS A 69 5.826 -5.532 -8.238 1.00 0.00 C ATOM 1034 O HIS A 69 6.980 -5.938 -8.112 1.00 0.00 O ATOM 1035 CB HIS A 69 5.331 -5.295 -10.740 1.00 0.00 C ATOM 1036 CG HIS A 69 6.550 -6.148 -11.136 1.00 0.00 C ATOM 1037 ND1 HIS A 69 7.617 -5.742 -11.808 1.00 0.00 N ATOM 1038 CD2 HIS A 69 6.710 -7.430 -10.827 1.00 0.00 C ATOM 1039 CE1 HIS A 69 8.458 -6.778 -11.890 1.00 0.00 C ATOM 1040 NE2 HIS A 69 7.895 -7.821 -11.290 1.00 0.00 N ATOM 0 H HIS A 69 7.339 -3.707 -9.365 1.00 0.00 H new ATOM 0 HA HIS A 69 4.421 -4.221 -9.178 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.449 -5.935 -10.734 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.172 -4.541 -11.511 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.002 -8.047 -10.293 1.00 0.00 H new ATOM 0 HE1 HIS A 69 9.429 -6.769 -12.363 1.00 0.00 H new ATOM 0 HE2 HIS A 69 8.298 -8.754 -11.200 1.00 0.00 H new ATOM 1048 N TYR A 70 4.905 -5.646 -7.300 1.00 0.00 N ATOM 1049 CA TYR A 70 5.003 -6.574 -6.167 1.00 0.00 C ATOM 1050 C TYR A 70 4.201 -7.848 -6.435 1.00 0.00 C ATOM 1051 O TYR A 70 3.042 -7.753 -6.827 1.00 0.00 O ATOM 1052 CB TYR A 70 4.499 -5.903 -4.888 1.00 0.00 C ATOM 1053 CG TYR A 70 5.561 -4.972 -4.313 1.00 0.00 C ATOM 1054 CD1 TYR A 70 6.867 -5.422 -4.129 1.00 0.00 C ATOM 1055 CD2 TYR A 70 5.200 -3.698 -3.897 1.00 0.00 C ATOM 1056 CE1 TYR A 70 7.802 -4.613 -3.511 1.00 0.00 C ATOM 1057 CE2 TYR A 70 6.135 -2.888 -3.278 1.00 0.00 C ATOM 1058 CZ TYR A 70 7.436 -3.339 -3.084 1.00 0.00 C ATOM 1059 OH TYR A 70 8.301 -2.585 -2.367 1.00 0.00 O ATOM 0 H TYR A 70 4.049 -5.091 -7.295 1.00 0.00 H new ATOM 0 HA TYR A 70 6.051 -6.845 -6.041 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.591 -5.339 -5.101 1.00 0.00 H new ATOM 0 HB3 TYR A 70 4.237 -6.663 -4.152 1.00 0.00 H new ATOM 0 HD1 TYR A 70 7.150 -6.407 -4.471 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.193 -3.341 -4.056 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.811 -4.967 -3.360 1.00 0.00 H new ATOM 0 HE2 TYR A 70 5.853 -1.900 -2.944 1.00 0.00 H new ATOM 0 HH TYR A 70 9.220 -2.811 -2.621 1.00 0.00 H new ATOM 1069 N PRO A 71 4.815 -9.019 -6.275 1.00 0.00 N ATOM 1070 CA PRO A 71 4.098 -10.294 -6.441 1.00 0.00 C ATOM 1071 C PRO A 71 3.135 -10.555 -5.275 1.00 0.00 C ATOM 1072 O PRO A 71 3.282 -9.970 -4.203 1.00 0.00 O ATOM 1073 CB PRO A 71 5.197 -11.340 -6.613 1.00 0.00 C ATOM 1074 CG PRO A 71 6.452 -10.733 -5.983 1.00 0.00 C ATOM 1075 CD PRO A 71 6.260 -9.219 -6.053 1.00 0.00 C ATOM 0 HA PRO A 71 3.437 -10.307 -7.308 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.927 -12.275 -6.123 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.359 -11.567 -7.667 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.572 -11.065 -4.952 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.348 -11.039 -6.523 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.586 -8.738 -5.131 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.846 -8.785 -6.863 1.00 0.00 H new ATOM 1083 N LEU A 72 2.098 -11.351 -5.528 1.00 0.00 N ATOM 1084 CA LEU A 72 1.092 -11.690 -4.495 1.00 0.00 C ATOM 1085 C LEU A 72 1.660 -12.570 -3.362 1.00 0.00 C ATOM 1086 O LEU A 72 1.199 -12.510 -2.224 1.00 0.00 O ATOM 1087 CB LEU A 72 -0.160 -12.296 -5.148 1.00 0.00 C ATOM 1088 CG LEU A 72 -1.402 -12.287 -4.240 1.00 0.00 C ATOM 1089 CD1 LEU A 72 -1.840 -10.866 -3.863 1.00 0.00 C ATOM 1090 CD2 LEU A 72 -2.553 -13.015 -4.935 1.00 0.00 C ATOM 0 H LEU A 72 1.923 -11.779 -6.437 1.00 0.00 H new ATOM 0 HA LEU A 72 0.799 -10.761 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.385 -11.744 -6.061 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.056 -13.323 -5.442 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.135 -12.801 -3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.720 -10.915 -3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.031 -10.365 -3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.081 -10.307 -4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.431 -13.007 -4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.788 -12.512 -5.873 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.262 -14.045 -5.138 1.00 0.00 H new ATOM 1102 N ASN A 73 2.794 -13.209 -3.652 1.00 0.00 N ATOM 1103 CA ASN A 73 3.592 -14.024 -2.706 1.00 0.00 C ATOM 1104 C ASN A 73 4.450 -13.183 -1.734 1.00 0.00 C ATOM 1105 O ASN A 73 5.591 -13.519 -1.405 1.00 0.00 O ATOM 1106 CB ASN A 73 4.463 -15.002 -3.515 1.00 0.00 C ATOM 1107 CG ASN A 73 5.301 -14.319 -4.602 1.00 0.00 C ATOM 1108 OD1 ASN A 73 4.962 -14.332 -5.778 1.00 0.00 O ATOM 1109 ND2 ASN A 73 6.310 -13.574 -4.213 1.00 0.00 N ATOM 0 H ASN A 73 3.206 -13.178 -4.585 1.00 0.00 H new ATOM 0 HA ASN A 73 2.898 -14.571 -2.068 1.00 0.00 H new ATOM 0 HB2 ASN A 73 5.129 -15.532 -2.834 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.820 -15.750 -3.979 1.00 0.00 H new ATOM 0 HD21 ASN A 73 6.814 -13.003 -4.892 1.00 0.00 H new ATOM 0 HD22 ASN A 73 6.590 -13.566 -3.232 1.00 0.00 H new ATOM 1116 N THR A 74 3.930 -12.011 -1.377 1.00 0.00 N ATOM 1117 CA THR A 74 4.698 -11.010 -0.603 1.00 0.00 C ATOM 1118 C THR A 74 3.814 -10.282 0.401 1.00 0.00 C ATOM 1119 O THR A 74 4.109 -10.334 1.590 1.00 0.00 O ATOM 1120 CB THR A 74 5.466 -9.970 -1.448 1.00 0.00 C ATOM 1121 OG1 THR A 74 4.626 -8.960 -2.011 1.00 0.00 O ATOM 1122 CG2 THR A 74 6.248 -10.646 -2.563 1.00 0.00 C ATOM 0 H THR A 74 2.979 -11.721 -1.607 1.00 0.00 H new ATOM 0 HA THR A 74 5.452 -11.605 -0.088 1.00 0.00 H new ATOM 0 HB THR A 74 6.148 -9.478 -0.754 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.141 -9.328 -2.779 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.780 -9.892 -3.143 1.00 0.00 H new ATOM 0 HG22 THR A 74 6.965 -11.345 -2.132 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.560 -11.186 -3.214 1.00 0.00 H new ATOM 1130 N VAL A 75 2.756 -9.666 -0.120 1.00 0.00 N ATOM 1131 CA VAL A 75 1.780 -8.842 0.618 1.00 0.00 C ATOM 1132 C VAL A 75 0.886 -9.793 1.434 1.00 0.00 C ATOM 1133 O VAL A 75 -0.285 -10.020 1.135 1.00 0.00 O ATOM 1134 CB VAL A 75 0.965 -7.987 -0.382 1.00 0.00 C ATOM 1135 CG1 VAL A 75 0.133 -6.933 0.349 1.00 0.00 C ATOM 1136 CG2 VAL A 75 1.822 -7.277 -1.437 1.00 0.00 C ATOM 0 H VAL A 75 2.538 -9.725 -1.115 1.00 0.00 H new ATOM 0 HA VAL A 75 2.274 -8.151 1.301 1.00 0.00 H new ATOM 0 HB VAL A 75 0.323 -8.699 -0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.430 -6.346 -0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.559 -7.425 1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.794 -6.275 0.913 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.178 -6.699 -2.100 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.528 -6.609 -0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.370 -8.018 -2.019 1.00 0.00 H new ATOM 1146 N THR A 76 1.529 -10.406 2.422 1.00 0.00 N ATOM 1147 CA THR A 76 0.939 -11.414 3.328 1.00 0.00 C ATOM 1148 C THR A 76 -0.250 -10.815 4.095 1.00 0.00 C ATOM 1149 O THR A 76 -1.271 -11.462 4.310 1.00 0.00 O ATOM 1150 CB THR A 76 1.982 -11.958 4.325 1.00 0.00 C ATOM 1151 OG1 THR A 76 2.464 -10.910 5.167 1.00 0.00 O ATOM 1152 CG2 THR A 76 3.180 -12.620 3.635 1.00 0.00 C ATOM 0 H THR A 76 2.509 -10.216 2.630 1.00 0.00 H new ATOM 0 HA THR A 76 0.591 -12.244 2.713 1.00 0.00 H new ATOM 0 HB THR A 76 1.468 -12.718 4.914 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.124 -11.272 5.795 1.00 0.00 H new ATOM 0 HG21 THR A 76 3.879 -12.983 4.389 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.834 -13.457 3.028 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.680 -11.892 2.997 1.00 0.00 H new ATOM 1160 N PHE A 77 -0.075 -9.552 4.472 1.00 0.00 N ATOM 1161 CA PHE A 77 -1.099 -8.760 5.163 1.00 0.00 C ATOM 1162 C PHE A 77 -1.145 -7.352 4.573 1.00 0.00 C ATOM 1163 O PHE A 77 -0.088 -6.742 4.438 1.00 0.00 O ATOM 1164 CB PHE A 77 -0.676 -8.681 6.629 1.00 0.00 C ATOM 1165 CG PHE A 77 -1.879 -8.682 7.552 1.00 0.00 C ATOM 1166 CD1 PHE A 77 -2.791 -9.730 7.478 1.00 0.00 C ATOM 1167 CD2 PHE A 77 -2.033 -7.677 8.497 1.00 0.00 C ATOM 1168 CE1 PHE A 77 -3.859 -9.768 8.348 1.00 0.00 C ATOM 1169 CE2 PHE A 77 -3.102 -7.717 9.373 1.00 0.00 C ATOM 1170 CZ PHE A 77 -4.021 -8.763 9.300 1.00 0.00 C ATOM 0 H PHE A 77 0.791 -9.039 4.306 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.085 -9.213 5.056 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.030 -9.526 6.869 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.091 -7.776 6.792 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.663 -10.510 6.742 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.321 -6.867 8.548 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.572 -10.578 8.292 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -3.225 -6.939 10.112 1.00 0.00 H new ATOM 0 HZ PHE A 77 -4.858 -8.794 9.981 1.00 0.00 H new ATOM 1180 N CYS A 78 -2.358 -6.833 4.402 1.00 0.00 N ATOM 1181 CA CYS A 78 -2.610 -5.467 3.899 1.00 0.00 C ATOM 1182 C CYS A 78 -3.939 -4.945 4.451 1.00 0.00 C ATOM 1183 O CYS A 78 -5.030 -5.258 3.979 1.00 0.00 O ATOM 1184 CB CYS A 78 -2.616 -5.414 2.367 1.00 0.00 C ATOM 1185 SG CYS A 78 -2.760 -3.709 1.709 1.00 0.00 S ATOM 0 H CYS A 78 -3.213 -7.350 4.609 1.00 0.00 H new ATOM 0 HA CYS A 78 -1.796 -4.830 4.245 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -1.699 -5.867 1.990 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -3.445 -6.014 1.992 1.00 0.00 H new ATOM 0 HG CYS A 78 -2.757 -3.744 0.409 1.00 0.00 H new ATOM 1191 N ASP A 79 -3.792 -4.260 5.573 1.00 0.00 N ATOM 1192 CA ASP A 79 -4.940 -3.720 6.312 1.00 0.00 C ATOM 1193 C ASP A 79 -4.646 -2.274 6.727 1.00 0.00 C ATOM 1194 O ASP A 79 -3.507 -1.807 6.637 1.00 0.00 O ATOM 1195 CB ASP A 79 -5.256 -4.640 7.500 1.00 0.00 C ATOM 1196 CG ASP A 79 -6.760 -4.688 7.789 1.00 0.00 C ATOM 1197 OD1 ASP A 79 -7.466 -5.410 7.055 1.00 0.00 O ATOM 1198 OD2 ASP A 79 -7.191 -3.900 8.659 1.00 0.00 O ATOM 0 H ASP A 79 -2.888 -4.060 6.000 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.831 -3.693 5.684 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.893 -5.646 7.289 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.725 -4.288 8.385 1.00 0.00 H new ATOM 1203 N LEU A 80 -5.704 -1.565 7.112 1.00 0.00 N ATOM 1204 CA LEU A 80 -5.550 -0.200 7.646 1.00 0.00 C ATOM 1205 C LEU A 80 -4.667 -0.214 8.891 1.00 0.00 C ATOM 1206 O LEU A 80 -4.428 -1.253 9.510 1.00 0.00 O ATOM 1207 CB LEU A 80 -6.887 0.459 8.020 1.00 0.00 C ATOM 1208 CG LEU A 80 -7.642 1.153 6.879 1.00 0.00 C ATOM 1209 CD1 LEU A 80 -6.767 2.142 6.112 1.00 0.00 C ATOM 1210 CD2 LEU A 80 -8.298 0.129 5.967 1.00 0.00 C ATOM 0 H LEU A 80 -6.667 -1.900 7.069 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.095 0.382 6.845 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.538 -0.304 8.447 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.700 1.193 8.804 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.435 1.752 7.328 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.352 2.604 5.316 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.407 2.914 6.793 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.917 1.615 5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.828 0.643 5.165 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.534 -0.520 5.540 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.003 -0.471 6.542 1.00 0.00 H new ATOM 1222 N ASP A 81 -4.136 0.960 9.190 1.00 0.00 N ATOM 1223 CA ASP A 81 -3.390 1.174 10.439 1.00 0.00 C ATOM 1224 C ASP A 81 -4.127 0.662 11.693 1.00 0.00 C ATOM 1225 O ASP A 81 -5.149 1.236 12.072 1.00 0.00 O ATOM 1226 CB ASP A 81 -3.025 2.644 10.628 1.00 0.00 C ATOM 1227 CG ASP A 81 -4.088 3.679 10.259 1.00 0.00 C ATOM 1228 OD1 ASP A 81 -5.301 3.394 10.361 1.00 0.00 O ATOM 1229 OD2 ASP A 81 -3.613 4.760 9.888 1.00 0.00 O ATOM 0 H ASP A 81 -4.202 1.784 8.592 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.481 0.582 10.332 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.756 2.794 11.674 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.133 2.850 10.036 1.00 0.00 H new ATOM 1234 N PRO A 82 -3.553 -0.334 12.381 1.00 0.00 N ATOM 1235 CA PRO A 82 -4.115 -0.858 13.638 1.00 0.00 C ATOM 1236 C PRO A 82 -3.993 0.138 14.805 1.00 0.00 C ATOM 1237 O PRO A 82 -4.603 -0.053 15.850 1.00 0.00 O ATOM 1238 CB PRO A 82 -3.367 -2.170 13.878 1.00 0.00 C ATOM 1239 CG PRO A 82 -1.994 -1.931 13.255 1.00 0.00 C ATOM 1240 CD PRO A 82 -2.277 -1.005 12.072 1.00 0.00 C ATOM 0 HA PRO A 82 -5.190 -1.022 13.568 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -3.289 -2.396 14.941 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.877 -3.012 13.410 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.308 -1.471 13.966 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.536 -2.865 12.929 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.475 -0.279 11.944 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.348 -1.569 11.142 1.00 0.00 H new ATOM 1248 N GLN A 83 -3.261 1.230 14.578 1.00 0.00 N ATOM 1249 CA GLN A 83 -3.106 2.323 15.551 1.00 0.00 C ATOM 1250 C GLN A 83 -4.076 3.493 15.290 1.00 0.00 C ATOM 1251 O GLN A 83 -3.910 4.570 15.854 1.00 0.00 O ATOM 1252 CB GLN A 83 -1.643 2.768 15.455 1.00 0.00 C ATOM 1253 CG GLN A 83 -0.879 2.629 16.776 1.00 0.00 C ATOM 1254 CD GLN A 83 -1.175 3.728 17.803 1.00 0.00 C ATOM 1255 OE1 GLN A 83 -1.697 4.793 17.524 1.00 0.00 O ATOM 1256 NE2 GLN A 83 -0.787 3.511 19.037 1.00 0.00 N ATOM 0 H GLN A 83 -2.753 1.386 13.707 1.00 0.00 H new ATOM 0 HA GLN A 83 -3.354 1.979 16.555 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.140 2.178 14.689 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.607 3.808 15.130 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -1.118 1.662 17.219 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.190 2.627 16.564 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -0.349 2.624 19.285 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.924 4.229 19.748 1.00 0.00 H new ATOM 1265 N GLU A 84 -5.106 3.267 14.461 1.00 0.00 N ATOM 1266 CA GLU A 84 -6.125 4.286 14.115 1.00 0.00 C ATOM 1267 C GLU A 84 -5.534 5.682 13.826 1.00 0.00 C ATOM 1268 O GLU A 84 -5.972 6.712 14.333 1.00 0.00 O ATOM 1269 CB GLU A 84 -7.195 4.317 15.216 1.00 0.00 C ATOM 1270 CG GLU A 84 -8.477 3.601 14.783 1.00 0.00 C ATOM 1271 CD GLU A 84 -9.348 4.495 13.895 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -8.939 4.724 12.737 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -10.455 4.843 14.360 1.00 0.00 O ATOM 0 H GLU A 84 -5.262 2.368 14.005 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.587 3.993 13.172 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.803 3.846 16.118 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.425 5.352 15.471 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.221 2.689 14.243 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.043 3.301 15.665 1.00 0.00 H new ATOM 1280 N ARG A 85 -4.522 5.655 12.970 1.00 0.00 N ATOM 1281 CA ARG A 85 -3.736 6.842 12.588 1.00 0.00 C ATOM 1282 C ARG A 85 -4.242 7.330 11.223 1.00 0.00 C ATOM 1283 O ARG A 85 -5.100 6.695 10.607 1.00 0.00 O ATOM 1284 CB ARG A 85 -2.260 6.448 12.465 1.00 0.00 C ATOM 1285 CG ARG A 85 -1.580 5.973 13.752 1.00 0.00 C ATOM 1286 CD ARG A 85 -1.101 7.132 14.623 1.00 0.00 C ATOM 1287 NE ARG A 85 -0.338 6.594 15.759 1.00 0.00 N ATOM 1288 CZ ARG A 85 0.370 7.292 16.649 1.00 0.00 C ATOM 1289 NH1 ARG A 85 0.448 8.615 16.597 1.00 0.00 N ATOM 1290 NH2 ARG A 85 0.981 6.666 17.643 1.00 0.00 N ATOM 0 H ARG A 85 -4.212 4.800 12.509 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.842 7.627 13.337 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -2.177 5.656 11.721 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -1.707 7.305 12.081 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -2.277 5.359 14.322 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.731 5.339 13.498 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.479 7.810 14.039 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.952 7.710 14.982 1.00 0.00 H new ATOM 0 HE ARG A 85 -0.351 5.581 15.879 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.041 9.126 15.862 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.997 9.121 17.292 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.910 5.652 17.727 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.523 7.198 18.324 1.00 0.00 H new ATOM 1304 N LYS A 86 -3.652 8.420 10.741 1.00 0.00 N ATOM 1305 CA LYS A 86 -3.989 9.025 9.434 1.00 0.00 C ATOM 1306 C LYS A 86 -2.780 9.797 8.906 1.00 0.00 C ATOM 1307 O LYS A 86 -2.001 10.327 9.690 1.00 0.00 O ATOM 1308 CB LYS A 86 -5.212 9.951 9.489 1.00 0.00 C ATOM 1309 CG LYS A 86 -6.474 9.156 9.823 1.00 0.00 C ATOM 1310 CD LYS A 86 -7.780 9.920 9.698 1.00 0.00 C ATOM 1311 CE LYS A 86 -8.789 9.355 10.692 1.00 0.00 C ATOM 1312 NZ LYS A 86 -10.094 9.176 10.050 1.00 0.00 N ATOM 0 H LYS A 86 -2.919 8.921 11.243 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.249 8.207 8.762 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.055 10.726 10.239 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.336 10.455 8.531 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.518 8.286 9.168 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.388 8.783 10.843 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.615 10.980 9.892 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.167 9.838 8.682 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.433 8.400 11.078 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.885 10.028 11.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.770 8.791 10.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.439 10.094 9.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.000 8.517 9.251 1.00 0.00 H new ATOM 1326 N TRP A 87 -2.595 9.735 7.588 1.00 0.00 N ATOM 1327 CA TRP A 87 -1.492 10.449 6.910 1.00 0.00 C ATOM 1328 C TRP A 87 -1.669 11.972 7.015 1.00 0.00 C ATOM 1329 O TRP A 87 -0.698 12.719 7.077 1.00 0.00 O ATOM 1330 CB TRP A 87 -1.404 10.010 5.444 1.00 0.00 C ATOM 1331 CG TRP A 87 -0.068 10.406 4.797 1.00 0.00 C ATOM 1332 CD1 TRP A 87 0.095 11.219 3.757 1.00 0.00 C ATOM 1333 CD2 TRP A 87 1.196 10.091 5.245 1.00 0.00 C ATOM 1334 NE1 TRP A 87 1.390 11.445 3.545 1.00 0.00 N ATOM 1335 CE2 TRP A 87 2.100 10.790 4.449 1.00 0.00 C ATOM 1336 CE3 TRP A 87 1.651 9.224 6.222 1.00 0.00 C ATOM 1337 CZ2 TRP A 87 3.467 10.641 4.645 1.00 0.00 C ATOM 1338 CZ3 TRP A 87 3.011 9.087 6.417 1.00 0.00 C ATOM 1339 CH2 TRP A 87 3.923 9.788 5.636 1.00 0.00 C ATOM 0 H TRP A 87 -3.192 9.198 6.959 1.00 0.00 H new ATOM 0 HA TRP A 87 -0.558 10.191 7.409 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -1.529 8.929 5.382 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -2.224 10.458 4.883 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -0.709 11.636 3.168 1.00 0.00 H new ATOM 0 HE1 TRP A 87 1.774 12.030 2.803 1.00 0.00 H new ATOM 0 HE3 TRP A 87 0.952 8.662 6.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 4.168 11.186 4.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 3.372 8.424 7.189 1.00 0.00 H new ATOM 0 HH2 TRP A 87 4.983 9.668 5.802 1.00 0.00 H new ATOM 1350 N THR A 88 -2.938 12.385 7.095 1.00 0.00 N ATOM 1351 CA THR A 88 -3.363 13.790 7.267 1.00 0.00 C ATOM 1352 C THR A 88 -2.635 14.712 6.269 1.00 0.00 C ATOM 1353 O THR A 88 -1.799 15.541 6.620 1.00 0.00 O ATOM 1354 CB THR A 88 -3.174 14.189 8.746 1.00 0.00 C ATOM 1355 OG1 THR A 88 -3.773 13.185 9.577 1.00 0.00 O ATOM 1356 CG2 THR A 88 -3.835 15.531 9.081 1.00 0.00 C ATOM 0 H THR A 88 -3.725 11.738 7.041 1.00 0.00 H new ATOM 0 HA THR A 88 -4.422 13.903 7.034 1.00 0.00 H new ATOM 0 HB THR A 88 -2.102 14.281 8.923 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.657 13.428 10.519 1.00 0.00 H new ATOM 0 HG21 THR A 88 -3.672 15.764 10.133 1.00 0.00 H new ATOM 0 HG22 THR A 88 -3.398 16.316 8.464 1.00 0.00 H new ATOM 0 HG23 THR A 88 -4.905 15.468 8.885 1.00 0.00 H new ATOM 1364 N LYS A 89 -2.963 14.497 4.998 1.00 0.00 N ATOM 1365 CA LYS A 89 -2.373 15.247 3.872 1.00 0.00 C ATOM 1366 C LYS A 89 -3.499 15.839 3.015 1.00 0.00 C ATOM 1367 O LYS A 89 -4.432 15.134 2.636 1.00 0.00 O ATOM 1368 CB LYS A 89 -1.428 14.343 3.057 1.00 0.00 C ATOM 1369 CG LYS A 89 -2.048 13.561 1.887 1.00 0.00 C ATOM 1370 CD LYS A 89 -3.076 12.489 2.276 1.00 0.00 C ATOM 1371 CE LYS A 89 -3.928 12.097 1.067 1.00 0.00 C ATOM 1372 NZ LYS A 89 -5.213 12.817 1.000 1.00 0.00 N ATOM 0 H LYS A 89 -3.647 13.797 4.710 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.768 16.071 4.250 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -0.623 14.963 2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.972 13.626 3.740 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -2.527 14.271 1.213 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.245 13.082 1.327 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -2.563 11.610 2.667 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -3.717 12.865 3.073 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -3.363 12.291 0.155 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -4.122 11.025 1.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.961 12.164 0.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.448 13.196 1.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.137 13.601 0.320 1.00 0.00 H new ATOM 1386 N THR A 90 -3.518 17.163 2.942 1.00 0.00 N ATOM 1387 CA THR A 90 -4.596 17.928 2.263 1.00 0.00 C ATOM 1388 C THR A 90 -4.495 19.420 2.572 1.00 0.00 C ATOM 1389 O THR A 90 -4.561 20.255 1.676 1.00 0.00 O ATOM 1390 CB THR A 90 -6.034 17.435 2.589 1.00 0.00 C ATOM 1391 OG1 THR A 90 -7.038 18.306 2.068 1.00 0.00 O ATOM 1392 CG2 THR A 90 -6.311 17.203 4.081 1.00 0.00 C ATOM 0 H THR A 90 -2.792 17.753 3.348 1.00 0.00 H new ATOM 0 HA THR A 90 -4.433 17.750 1.200 1.00 0.00 H new ATOM 0 HB THR A 90 -6.085 16.466 2.093 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.889 17.824 2.005 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.338 16.861 4.212 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.625 16.448 4.465 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.167 18.135 4.627 1.00 0.00 H new ATOM 1400 N ASP A 91 -4.347 19.701 3.869 1.00 0.00 N ATOM 1401 CA ASP A 91 -4.376 21.065 4.433 1.00 0.00 C ATOM 1402 C ASP A 91 -5.656 21.820 3.994 1.00 0.00 C ATOM 1403 O ASP A 91 -5.616 23.012 3.703 1.00 0.00 O ATOM 1404 CB ASP A 91 -3.074 21.764 4.014 1.00 0.00 C ATOM 1405 CG ASP A 91 -2.700 22.907 4.954 1.00 0.00 C ATOM 1406 OD1 ASP A 91 -2.227 22.567 6.060 1.00 0.00 O ATOM 1407 OD2 ASP A 91 -2.799 24.072 4.519 1.00 0.00 O ATOM 0 H ASP A 91 -4.201 18.979 4.574 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.424 21.044 5.522 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.264 21.035 3.992 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.182 22.151 3.001 1.00 0.00 H new ATOM 1412 N GLY A 92 -6.767 21.069 3.926 1.00 0.00 N ATOM 1413 CA GLY A 92 -8.065 21.591 3.454 1.00 0.00 C ATOM 1414 C GLY A 92 -9.240 20.741 3.948 1.00 0.00 C ATOM 1415 O GLY A 92 -9.753 20.981 5.036 1.00 0.00 O ATOM 0 H GLY A 92 -6.794 20.086 4.195 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.190 22.617 3.799 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -8.070 21.618 2.364 1.00 0.00 H new ATOM 1419 N SER A 93 -9.560 19.703 3.172 1.00 0.00 N ATOM 1420 CA SER A 93 -10.684 18.779 3.463 1.00 0.00 C ATOM 1421 C SER A 93 -10.518 18.053 4.811 1.00 0.00 C ATOM 1422 O SER A 93 -10.851 18.594 5.861 1.00 0.00 O ATOM 1423 CB SER A 93 -10.918 17.756 2.336 1.00 0.00 C ATOM 1424 OG SER A 93 -11.286 18.367 1.103 1.00 0.00 O ATOM 0 H SER A 93 -9.052 19.470 2.319 1.00 0.00 H new ATOM 0 HA SER A 93 -11.567 19.414 3.528 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.011 17.170 2.189 1.00 0.00 H new ATOM 0 HB3 SER A 93 -11.701 17.061 2.639 1.00 0.00 H new ATOM 0 HG SER A 93 -11.421 17.675 0.422 1.00 0.00 H new ATOM 1430 N GLY A 94 -9.880 16.876 4.775 1.00 0.00 N ATOM 1431 CA GLY A 94 -9.701 16.041 5.967 1.00 0.00 C ATOM 1432 C GLY A 94 -8.623 14.974 5.725 1.00 0.00 C ATOM 1433 O GLY A 94 -8.202 14.783 4.579 1.00 0.00 O ATOM 0 H GLY A 94 -9.477 16.479 3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.419 16.665 6.815 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.644 15.560 6.225 1.00 0.00 H new ATOM 1437 N PRO A 95 -8.157 14.326 6.796 1.00 0.00 N ATOM 1438 CA PRO A 95 -7.097 13.313 6.687 1.00 0.00 C ATOM 1439 C PRO A 95 -7.586 12.095 5.897 1.00 0.00 C ATOM 1440 O PRO A 95 -8.734 11.665 6.004 1.00 0.00 O ATOM 1441 CB PRO A 95 -6.738 12.993 8.135 1.00 0.00 C ATOM 1442 CG PRO A 95 -8.012 13.272 8.927 1.00 0.00 C ATOM 1443 CD PRO A 95 -8.668 14.426 8.180 1.00 0.00 C ATOM 0 HA PRO A 95 -6.222 13.656 6.135 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -6.425 11.955 8.244 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.912 13.613 8.484 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -8.661 12.397 8.959 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -7.789 13.541 9.959 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -9.755 14.346 8.206 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -8.408 15.385 8.628 1.00 0.00 H new ATOM 1451 N ALA A 96 -6.682 11.564 5.087 1.00 0.00 N ATOM 1452 CA ALA A 96 -6.998 10.403 4.248 1.00 0.00 C ATOM 1453 C ALA A 96 -6.308 9.177 4.827 1.00 0.00 C ATOM 1454 O ALA A 96 -5.082 9.122 4.948 1.00 0.00 O ATOM 1455 CB ALA A 96 -6.561 10.635 2.810 1.00 0.00 C ATOM 0 H ALA A 96 -5.728 11.911 4.988 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.077 10.247 4.240 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.807 9.759 2.209 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.078 11.507 2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.485 10.805 2.780 1.00 0.00 H new ATOM 1461 N LYS A 97 -7.163 8.379 5.453 1.00 0.00 N ATOM 1462 CA LYS A 97 -6.767 7.105 6.070 1.00 0.00 C ATOM 1463 C LYS A 97 -5.799 6.323 5.176 1.00 0.00 C ATOM 1464 O LYS A 97 -5.900 6.314 3.944 1.00 0.00 O ATOM 1465 CB LYS A 97 -8.022 6.287 6.356 1.00 0.00 C ATOM 1466 CG LYS A 97 -8.112 5.973 7.849 1.00 0.00 C ATOM 1467 CD LYS A 97 -9.505 5.434 8.173 1.00 0.00 C ATOM 1468 CE LYS A 97 -9.573 4.850 9.583 1.00 0.00 C ATOM 1469 NZ LYS A 97 -8.862 3.566 9.667 1.00 0.00 N ATOM 0 H LYS A 97 -8.156 8.591 5.551 1.00 0.00 H new ATOM 0 HA LYS A 97 -6.241 7.311 7.002 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.906 6.839 6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.001 5.361 5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.354 5.240 8.124 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.913 6.871 8.433 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -10.237 6.236 8.076 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.775 4.666 7.448 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.139 5.555 10.292 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.615 4.710 9.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -9.541 2.806 9.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -8.390 3.371 8.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.151 3.612 10.425 1.00 0.00 H new ATOM 1483 N LEU A 98 -4.780 5.843 5.866 1.00 0.00 N ATOM 1484 CA LEU A 98 -3.649 5.153 5.245 1.00 0.00 C ATOM 1485 C LEU A 98 -3.488 3.749 5.835 1.00 0.00 C ATOM 1486 O LEU A 98 -3.874 3.449 6.970 1.00 0.00 O ATOM 1487 CB LEU A 98 -2.378 6.028 5.314 1.00 0.00 C ATOM 1488 CG LEU A 98 -1.559 6.171 6.606 1.00 0.00 C ATOM 1489 CD1 LEU A 98 -2.394 6.525 7.829 1.00 0.00 C ATOM 1490 CD2 LEU A 98 -0.709 4.934 6.858 1.00 0.00 C ATOM 0 H LEU A 98 -4.708 5.918 6.881 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.842 5.002 4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.697 5.654 4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.672 7.034 5.015 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.898 7.022 6.444 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.745 6.608 8.701 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.900 7.476 7.661 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.135 5.745 8.002 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.141 5.064 7.779 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.355 4.061 6.951 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.021 4.789 6.025 1.00 0.00 H new ATOM 1502 N PHE A 99 -2.927 2.912 4.986 1.00 0.00 N ATOM 1503 CA PHE A 99 -2.741 1.477 5.224 1.00 0.00 C ATOM 1504 C PHE A 99 -1.314 1.052 4.883 1.00 0.00 C ATOM 1505 O PHE A 99 -0.583 1.755 4.181 1.00 0.00 O ATOM 1506 CB PHE A 99 -3.784 0.679 4.426 1.00 0.00 C ATOM 1507 CG PHE A 99 -3.843 1.039 2.941 1.00 0.00 C ATOM 1508 CD1 PHE A 99 -4.371 2.263 2.541 1.00 0.00 C ATOM 1509 CD2 PHE A 99 -3.351 0.155 1.989 1.00 0.00 C ATOM 1510 CE1 PHE A 99 -4.388 2.619 1.205 1.00 0.00 C ATOM 1511 CE2 PHE A 99 -3.379 0.504 0.650 1.00 0.00 C ATOM 1512 CZ PHE A 99 -3.891 1.739 0.254 1.00 0.00 C ATOM 0 H PHE A 99 -2.573 3.213 4.078 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.892 1.265 6.283 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.564 -0.384 4.523 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.767 0.843 4.868 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.771 2.941 3.281 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.949 -0.800 2.292 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.786 3.577 0.903 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.002 -0.184 -0.092 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.901 2.010 -0.791 1.00 0.00 H new ATOM 1522 N GLY A 100 -0.945 -0.042 5.549 1.00 0.00 N ATOM 1523 CA GLY A 100 0.383 -0.649 5.409 1.00 0.00 C ATOM 1524 C GLY A 100 0.236 -2.154 5.213 1.00 0.00 C ATOM 1525 O GLY A 100 -0.699 -2.785 5.710 1.00 0.00 O ATOM 0 H GLY A 100 -1.556 -0.534 6.201 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.907 -0.210 4.560 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.984 -0.444 6.295 1.00 0.00 H new ATOM 1529 N PHE A 101 1.145 -2.672 4.408 1.00 0.00 N ATOM 1530 CA PHE A 101 1.232 -4.114 4.170 1.00 0.00 C ATOM 1531 C PHE A 101 2.648 -4.645 4.373 1.00 0.00 C ATOM 1532 O PHE A 101 3.628 -3.940 4.136 1.00 0.00 O ATOM 1533 CB PHE A 101 0.725 -4.457 2.768 1.00 0.00 C ATOM 1534 CG PHE A 101 1.448 -3.767 1.630 1.00 0.00 C ATOM 1535 CD1 PHE A 101 2.722 -4.185 1.253 1.00 0.00 C ATOM 1536 CD2 PHE A 101 0.804 -2.746 0.941 1.00 0.00 C ATOM 1537 CE1 PHE A 101 3.365 -3.561 0.206 1.00 0.00 C ATOM 1538 CE2 PHE A 101 1.439 -2.136 -0.116 1.00 0.00 C ATOM 1539 CZ PHE A 101 2.725 -2.537 -0.488 1.00 0.00 C ATOM 0 H PHE A 101 1.838 -2.120 3.903 1.00 0.00 H new ATOM 0 HA PHE A 101 0.595 -4.604 4.906 1.00 0.00 H new ATOM 0 HB2 PHE A 101 0.803 -5.535 2.625 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.334 -4.204 2.711 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.204 -4.995 1.779 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -0.188 -2.434 1.233 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.362 -3.865 -0.076 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.943 -1.346 -0.659 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.223 -2.052 -1.315 1.00 0.00 H new ATOM 1549 N VAL A 102 2.698 -5.920 4.725 1.00 0.00 N ATOM 1550 CA VAL A 102 3.968 -6.651 4.866 1.00 0.00 C ATOM 1551 C VAL A 102 4.273 -7.499 3.638 1.00 0.00 C ATOM 1552 O VAL A 102 3.651 -8.530 3.414 1.00 0.00 O ATOM 1553 CB VAL A 102 4.079 -7.477 6.155 1.00 0.00 C ATOM 1554 CG1 VAL A 102 4.389 -6.509 7.274 1.00 0.00 C ATOM 1555 CG2 VAL A 102 2.822 -8.247 6.550 1.00 0.00 C ATOM 0 H VAL A 102 1.871 -6.483 4.922 1.00 0.00 H new ATOM 0 HA VAL A 102 4.731 -5.877 4.946 1.00 0.00 H new ATOM 0 HB VAL A 102 4.849 -8.228 5.978 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.477 -7.055 8.213 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.328 -5.997 7.063 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.586 -5.776 7.354 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.007 -8.796 7.473 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.000 -7.548 6.702 1.00 0.00 H new ATOM 0 HG23 VAL A 102 2.560 -8.948 5.757 1.00 0.00 H new ATOM 1565 N ALA A 103 5.278 -7.038 2.906 1.00 0.00 N ATOM 1566 CA ALA A 103 5.757 -7.708 1.686 1.00 0.00 C ATOM 1567 C ALA A 103 6.979 -8.575 2.014 1.00 0.00 C ATOM 1568 O ALA A 103 8.005 -8.060 2.456 1.00 0.00 O ATOM 1569 CB ALA A 103 6.087 -6.673 0.607 1.00 0.00 C ATOM 0 H ALA A 103 5.791 -6.187 3.135 1.00 0.00 H new ATOM 0 HA ALA A 103 4.971 -8.356 1.299 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.440 -7.182 -0.290 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.192 -6.098 0.369 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.864 -6.001 0.972 1.00 0.00 H new ATOM 1575 N ARG A 104 6.746 -9.888 1.987 1.00 0.00 N ATOM 1576 CA ARG A 104 7.778 -10.929 2.218 1.00 0.00 C ATOM 1577 C ARG A 104 8.994 -10.769 1.287 1.00 0.00 C ATOM 1578 O ARG A 104 10.110 -11.174 1.607 1.00 0.00 O ATOM 1579 CB ARG A 104 7.140 -12.317 2.082 1.00 0.00 C ATOM 1580 CG ARG A 104 8.061 -13.443 2.562 1.00 0.00 C ATOM 1581 CD ARG A 104 8.524 -14.325 1.395 1.00 0.00 C ATOM 1582 NE ARG A 104 8.295 -15.737 1.745 1.00 0.00 N ATOM 1583 CZ ARG A 104 7.105 -16.350 1.829 1.00 0.00 C ATOM 1584 NH1 ARG A 104 5.968 -15.729 1.539 1.00 0.00 N ATOM 1585 NH2 ARG A 104 7.039 -17.616 2.207 1.00 0.00 N ATOM 0 H ARG A 104 5.821 -10.276 1.801 1.00 0.00 H new ATOM 0 HA ARG A 104 8.162 -10.810 3.231 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.213 -12.343 2.654 1.00 0.00 H new ATOM 0 HB3 ARG A 104 6.876 -12.490 1.039 1.00 0.00 H new ATOM 0 HG2 ARG A 104 8.929 -13.016 3.064 1.00 0.00 H new ATOM 0 HG3 ARG A 104 7.537 -14.055 3.297 1.00 0.00 H new ATOM 0 HD2 ARG A 104 7.977 -14.068 0.488 1.00 0.00 H new ATOM 0 HD3 ARG A 104 9.581 -14.154 1.189 1.00 0.00 H new ATOM 0 HE ARG A 104 9.120 -16.303 1.942 1.00 0.00 H new ATOM 0 HH11 ARG A 104 5.981 -14.754 1.241 1.00 0.00 H new ATOM 0 HH12 ARG A 104 5.081 -16.227 1.614 1.00 0.00 H new ATOM 0 HH21 ARG A 104 7.893 -18.126 2.434 1.00 0.00 H new ATOM 0 HH22 ARG A 104 6.134 -18.083 2.271 1.00 0.00 H new ATOM 1599 N LYS A 105 8.747 -10.140 0.140 1.00 0.00 N ATOM 1600 CA LYS A 105 9.805 -9.726 -0.795 1.00 0.00 C ATOM 1601 C LYS A 105 10.480 -8.472 -0.237 1.00 0.00 C ATOM 1602 O LYS A 105 9.859 -7.423 -0.051 1.00 0.00 O ATOM 1603 CB LYS A 105 9.219 -9.338 -2.149 1.00 0.00 C ATOM 1604 CG LYS A 105 10.225 -9.134 -3.283 1.00 0.00 C ATOM 1605 CD LYS A 105 10.651 -10.461 -3.904 1.00 0.00 C ATOM 1606 CE LYS A 105 10.912 -10.238 -5.393 1.00 0.00 C ATOM 1607 NZ LYS A 105 12.317 -10.469 -5.750 1.00 0.00 N ATOM 0 H LYS A 105 7.806 -9.900 -0.173 1.00 0.00 H new ATOM 0 HA LYS A 105 10.499 -10.558 -0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.513 -10.111 -2.452 1.00 0.00 H new ATOM 0 HB3 LYS A 105 8.650 -8.417 -2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 105 9.784 -8.498 -4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 105 11.103 -8.612 -2.902 1.00 0.00 H new ATOM 0 HD2 LYS A 105 11.549 -10.837 -3.414 1.00 0.00 H new ATOM 0 HD3 LYS A 105 9.873 -11.212 -3.764 1.00 0.00 H new ATOM 0 HE2 LYS A 105 10.276 -10.905 -5.975 1.00 0.00 H new ATOM 0 HE3 LYS A 105 10.634 -9.219 -5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 12.448 -10.306 -6.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 12.923 -9.815 -5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 12.577 -11.449 -5.520 1.00 0.00 H new ATOM 1621 N GLN A 106 11.773 -8.649 -0.036 1.00 0.00 N ATOM 1622 CA GLN A 106 12.693 -7.555 0.307 1.00 0.00 C ATOM 1623 C GLN A 106 14.128 -8.003 -0.028 1.00 0.00 C ATOM 1624 O GLN A 106 14.715 -7.496 -0.981 1.00 0.00 O ATOM 1625 CB GLN A 106 12.510 -7.179 1.786 1.00 0.00 C ATOM 1626 CG GLN A 106 12.984 -5.774 2.172 1.00 0.00 C ATOM 1627 CD GLN A 106 14.454 -5.559 1.816 1.00 0.00 C ATOM 1628 OE1 GLN A 106 15.368 -6.011 2.487 1.00 0.00 O ATOM 1629 NE2 GLN A 106 14.682 -5.000 0.652 1.00 0.00 N ATOM 0 H GLN A 106 12.228 -9.559 -0.104 1.00 0.00 H new ATOM 0 HA GLN A 106 12.481 -6.657 -0.274 1.00 0.00 H new ATOM 0 HB2 GLN A 106 11.453 -7.269 2.038 1.00 0.00 H new ATOM 0 HB3 GLN A 106 13.046 -7.905 2.397 1.00 0.00 H new ATOM 0 HG2 GLN A 106 12.373 -5.030 1.661 1.00 0.00 H new ATOM 0 HG3 GLN A 106 12.842 -5.623 3.242 1.00 0.00 H new ATOM 0 HE21 GLN A 106 13.906 -4.627 0.104 1.00 0.00 H new ATOM 0 HE22 GLN A 106 15.635 -4.938 0.294 1.00 0.00 H new ATOM 1638 N GLY A 107 14.586 -9.051 0.666 1.00 0.00 N ATOM 1639 CA GLY A 107 15.932 -9.622 0.438 1.00 0.00 C ATOM 1640 C GLY A 107 16.234 -10.858 1.296 1.00 0.00 C ATOM 1641 O GLY A 107 17.321 -10.965 1.859 1.00 0.00 O ATOM 0 H GLY A 107 14.049 -9.526 1.392 1.00 0.00 H new ATOM 0 HA2 GLY A 107 16.030 -9.889 -0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 107 16.681 -8.857 0.643 1.00 0.00 H new ATOM 1645 N SER A 108 15.206 -11.701 1.434 1.00 0.00 N ATOM 1646 CA SER A 108 15.158 -12.972 2.198 1.00 0.00 C ATOM 1647 C SER A 108 13.707 -13.395 2.465 1.00 0.00 C ATOM 1648 O SER A 108 12.784 -12.597 2.324 1.00 0.00 O ATOM 1649 CB SER A 108 15.886 -12.928 3.551 1.00 0.00 C ATOM 1650 OG SER A 108 17.101 -13.664 3.419 1.00 0.00 O ATOM 0 H SER A 108 14.312 -11.506 0.983 1.00 0.00 H new ATOM 0 HA SER A 108 15.676 -13.690 1.562 1.00 0.00 H new ATOM 0 HB2 SER A 108 16.094 -11.898 3.839 1.00 0.00 H new ATOM 0 HB3 SER A 108 15.262 -13.359 4.334 1.00 0.00 H new ATOM 0 HG SER A 108 17.586 -13.650 4.270 1.00 0.00 H new ATOM 1656 N THR A 109 13.557 -14.616 2.973 1.00 0.00 N ATOM 1657 CA THR A 109 12.245 -15.194 3.345 1.00 0.00 C ATOM 1658 C THR A 109 11.801 -14.800 4.776 1.00 0.00 C ATOM 1659 O THR A 109 11.257 -15.601 5.532 1.00 0.00 O ATOM 1660 CB THR A 109 12.267 -16.716 3.092 1.00 0.00 C ATOM 1661 OG1 THR A 109 10.927 -17.216 3.090 1.00 0.00 O ATOM 1662 CG2 THR A 109 13.185 -17.508 4.039 1.00 0.00 C ATOM 0 H THR A 109 14.341 -15.246 3.144 1.00 0.00 H new ATOM 0 HA THR A 109 11.474 -14.764 2.706 1.00 0.00 H new ATOM 0 HB THR A 109 12.714 -16.870 2.110 1.00 0.00 H new ATOM 0 HG1 THR A 109 10.500 -17.011 3.948 1.00 0.00 H new ATOM 0 HG21 THR A 109 13.138 -18.568 3.789 1.00 0.00 H new ATOM 0 HG22 THR A 109 14.211 -17.155 3.931 1.00 0.00 H new ATOM 0 HG23 THR A 109 12.858 -17.363 5.069 1.00 0.00 H new ATOM 1670 N THR A 110 12.103 -13.551 5.131 1.00 0.00 N ATOM 1671 CA THR A 110 11.844 -12.984 6.477 1.00 0.00 C ATOM 1672 C THR A 110 11.623 -11.470 6.423 1.00 0.00 C ATOM 1673 O THR A 110 10.550 -10.995 6.767 1.00 0.00 O ATOM 1674 CB THR A 110 12.898 -13.459 7.510 1.00 0.00 C ATOM 1675 OG1 THR A 110 12.429 -14.700 8.030 1.00 0.00 O ATOM 1676 CG2 THR A 110 13.237 -12.537 8.692 1.00 0.00 C ATOM 0 H THR A 110 12.540 -12.887 4.492 1.00 0.00 H new ATOM 0 HA THR A 110 10.899 -13.384 6.845 1.00 0.00 H new ATOM 0 HB THR A 110 13.835 -13.501 6.954 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.973 -15.200 7.321 1.00 0.00 H new ATOM 0 HG21 THR A 110 13.989 -13.013 9.321 1.00 0.00 H new ATOM 0 HG22 THR A 110 13.625 -11.591 8.316 1.00 0.00 H new ATOM 0 HG23 THR A 110 12.337 -12.352 9.279 1.00 0.00 H new ATOM 1684 N ASP A 111 12.707 -10.729 6.200 1.00 0.00 N ATOM 1685 CA ASP A 111 12.716 -9.257 6.070 1.00 0.00 C ATOM 1686 C ASP A 111 11.540 -8.729 5.230 1.00 0.00 C ATOM 1687 O ASP A 111 11.512 -8.845 4.011 1.00 0.00 O ATOM 1688 CB ASP A 111 14.069 -8.809 5.495 1.00 0.00 C ATOM 1689 CG ASP A 111 14.377 -9.299 4.073 1.00 0.00 C ATOM 1690 OD1 ASP A 111 13.841 -10.348 3.653 1.00 0.00 O ATOM 1691 OD2 ASP A 111 15.179 -8.616 3.418 1.00 0.00 O ATOM 0 H ASP A 111 13.635 -11.140 6.100 1.00 0.00 H new ATOM 0 HA ASP A 111 12.585 -8.826 7.062 1.00 0.00 H new ATOM 0 HB2 ASP A 111 14.104 -7.720 5.501 1.00 0.00 H new ATOM 0 HB3 ASP A 111 14.860 -9.157 6.160 1.00 0.00 H new ATOM 1696 N ASN A 112 10.487 -8.407 5.963 1.00 0.00 N ATOM 1697 CA ASN A 112 9.236 -7.899 5.384 1.00 0.00 C ATOM 1698 C ASN A 112 9.216 -6.379 5.464 1.00 0.00 C ATOM 1699 O ASN A 112 9.597 -5.799 6.483 1.00 0.00 O ATOM 1700 CB ASN A 112 8.035 -8.485 6.134 1.00 0.00 C ATOM 1701 CG ASN A 112 7.535 -9.789 5.506 1.00 0.00 C ATOM 1702 OD1 ASN A 112 6.398 -9.730 4.857 1.00 0.00 O flip ATOM 1703 ND2 ASN A 112 8.127 -10.850 5.584 1.00 0.00 N flip ATOM 0 H ASN A 112 10.467 -8.488 6.980 1.00 0.00 H new ATOM 0 HA ASN A 112 9.175 -8.201 4.338 1.00 0.00 H new ATOM 0 HB2 ASN A 112 8.312 -8.668 7.172 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.225 -7.756 6.144 1.00 0.00 H new ATOM 0 HD21 ASN A 112 9.012 -10.904 6.087 1.00 0.00 H new ATOM 0 HD22 ASN A 112 7.737 -11.685 5.146 1.00 0.00 H new ATOM 1710 N VAL A 113 8.973 -5.790 4.303 1.00 0.00 N ATOM 1711 CA VAL A 113 8.803 -4.333 4.195 1.00 0.00 C ATOM 1712 C VAL A 113 7.335 -3.965 4.457 1.00 0.00 C ATOM 1713 O VAL A 113 6.426 -4.743 4.161 1.00 0.00 O ATOM 1714 CB VAL A 113 9.383 -3.850 2.848 1.00 0.00 C ATOM 1715 CG1 VAL A 113 8.378 -3.409 1.770 1.00 0.00 C ATOM 1716 CG2 VAL A 113 10.416 -2.757 3.122 1.00 0.00 C ATOM 0 H VAL A 113 8.888 -6.290 3.418 1.00 0.00 H new ATOM 0 HA VAL A 113 9.368 -3.800 4.960 1.00 0.00 H new ATOM 0 HB VAL A 113 9.836 -4.733 2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 113 8.917 -3.094 0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 113 7.721 -4.243 1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 113 7.783 -2.577 2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 113 10.834 -2.407 2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.937 -1.925 3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.215 -3.159 3.745 1.00 0.00 H new ATOM 1726 N CYS A 114 7.156 -2.790 5.038 1.00 0.00 N ATOM 1727 CA CYS A 114 5.825 -2.215 5.252 1.00 0.00 C ATOM 1728 C CYS A 114 5.692 -0.894 4.500 1.00 0.00 C ATOM 1729 O CYS A 114 6.389 0.078 4.780 1.00 0.00 O ATOM 1730 CB CYS A 114 5.577 -2.018 6.739 1.00 0.00 C ATOM 1731 SG CYS A 114 3.998 -2.770 7.262 1.00 0.00 S ATOM 0 H CYS A 114 7.921 -2.205 5.375 1.00 0.00 H new ATOM 0 HA CYS A 114 5.074 -2.903 4.865 1.00 0.00 H new ATOM 0 HB2 CYS A 114 6.396 -2.459 7.307 1.00 0.00 H new ATOM 0 HB3 CYS A 114 5.567 -0.953 6.969 1.00 0.00 H new ATOM 0 HG CYS A 114 3.043 -1.895 7.152 1.00 0.00 H new ATOM 1737 N HIS A 115 5.050 -1.022 3.351 1.00 0.00 N ATOM 1738 CA HIS A 115 4.755 0.148 2.511 1.00 0.00 C ATOM 1739 C HIS A 115 3.548 0.910 3.051 1.00 0.00 C ATOM 1740 O HIS A 115 2.585 0.310 3.527 1.00 0.00 O ATOM 1741 CB HIS A 115 4.462 -0.280 1.082 1.00 0.00 C ATOM 1742 CG HIS A 115 5.501 0.254 0.093 1.00 0.00 C ATOM 1743 ND1 HIS A 115 6.191 -0.504 -0.743 1.00 0.00 N ATOM 1744 CD2 HIS A 115 5.823 1.524 -0.120 1.00 0.00 C ATOM 1745 CE1 HIS A 115 6.960 0.301 -1.478 1.00 0.00 C ATOM 1746 NE2 HIS A 115 6.738 1.546 -1.087 1.00 0.00 N ATOM 0 H HIS A 115 4.722 -1.911 2.973 1.00 0.00 H new ATOM 0 HA HIS A 115 5.632 0.795 2.528 1.00 0.00 H new ATOM 0 HB2 HIS A 115 4.438 -1.368 1.028 1.00 0.00 H new ATOM 0 HB3 HIS A 115 3.473 0.075 0.794 1.00 0.00 H new ATOM 0 HD2 HIS A 115 5.417 2.382 0.396 1.00 0.00 H new ATOM 0 HE1 HIS A 115 7.643 -0.009 -2.255 1.00 0.00 H new ATOM 0 HE2 HIS A 115 7.190 2.380 -1.462 1.00 0.00 H new ATOM 1754 N LEU A 116 3.657 2.224 2.946 1.00 0.00 N ATOM 1755 CA LEU A 116 2.582 3.124 3.377 1.00 0.00 C ATOM 1756 C LEU A 116 1.907 3.814 2.200 1.00 0.00 C ATOM 1757 O LEU A 116 2.553 4.214 1.229 1.00 0.00 O ATOM 1758 CB LEU A 116 3.098 4.155 4.390 1.00 0.00 C ATOM 1759 CG LEU A 116 3.361 3.616 5.805 1.00 0.00 C ATOM 1760 CD1 LEU A 116 2.150 2.875 6.354 1.00 0.00 C ATOM 1761 CD2 LEU A 116 4.615 2.749 5.895 1.00 0.00 C ATOM 0 H LEU A 116 4.476 2.698 2.567 1.00 0.00 H new ATOM 0 HA LEU A 116 1.828 2.508 3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 116 4.023 4.585 4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.373 4.966 4.458 1.00 0.00 H new ATOM 0 HG LEU A 116 3.542 4.492 6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.372 2.508 7.356 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.297 3.553 6.396 1.00 0.00 H new ATOM 0 HD13 LEU A 116 1.913 2.033 5.703 1.00 0.00 H new ATOM 0 HD21 LEU A 116 4.744 2.400 6.920 1.00 0.00 H new ATOM 0 HD22 LEU A 116 4.513 1.891 5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 116 5.485 3.336 5.600 1.00 0.00 H new ATOM 1773 N PHE A 117 0.585 3.806 2.296 1.00 0.00 N ATOM 1774 CA PHE A 117 -0.299 4.367 1.263 1.00 0.00 C ATOM 1775 C PHE A 117 -1.556 4.986 1.864 1.00 0.00 C ATOM 1776 O PHE A 117 -2.216 4.369 2.696 1.00 0.00 O ATOM 1777 CB PHE A 117 -0.716 3.259 0.291 1.00 0.00 C ATOM 1778 CG PHE A 117 0.461 2.780 -0.546 1.00 0.00 C ATOM 1779 CD1 PHE A 117 0.953 3.609 -1.549 1.00 0.00 C ATOM 1780 CD2 PHE A 117 1.060 1.546 -0.317 1.00 0.00 C ATOM 1781 CE1 PHE A 117 2.005 3.208 -2.334 1.00 0.00 C ATOM 1782 CE2 PHE A 117 2.130 1.153 -1.102 1.00 0.00 C ATOM 1783 CZ PHE A 117 2.618 1.980 -2.104 1.00 0.00 C ATOM 0 H PHE A 117 0.085 3.411 3.093 1.00 0.00 H new ATOM 0 HA PHE A 117 0.256 5.150 0.746 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -1.132 2.421 0.850 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -1.505 3.627 -0.365 1.00 0.00 H new ATOM 0 HD1 PHE A 117 0.503 4.577 -1.711 1.00 0.00 H new ATOM 0 HD2 PHE A 117 0.693 0.900 0.467 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.357 3.846 -3.131 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.591 0.191 -0.933 1.00 0.00 H new ATOM 0 HZ PHE A 117 3.465 1.674 -2.699 1.00 0.00 H new ATOM 1793 N ALA A 118 -1.895 6.162 1.351 1.00 0.00 N ATOM 1794 CA ALA A 118 -3.124 6.879 1.737 1.00 0.00 C ATOM 1795 C ALA A 118 -4.083 6.986 0.548 1.00 0.00 C ATOM 1796 O ALA A 118 -3.661 7.108 -0.603 1.00 0.00 O ATOM 1797 CB ALA A 118 -2.771 8.280 2.243 1.00 0.00 C ATOM 0 H ALA A 118 -1.333 6.653 0.656 1.00 0.00 H new ATOM 0 HA ALA A 118 -3.616 6.319 2.532 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -3.683 8.805 2.527 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.114 8.199 3.109 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.264 8.835 1.454 1.00 0.00 H new ATOM 1803 N GLU A 119 -5.374 6.887 0.848 1.00 0.00 N ATOM 1804 CA GLU A 119 -6.430 7.051 -0.173 1.00 0.00 C ATOM 1805 C GLU A 119 -6.363 8.435 -0.845 1.00 0.00 C ATOM 1806 O GLU A 119 -6.327 9.467 -0.176 1.00 0.00 O ATOM 1807 CB GLU A 119 -7.831 6.810 0.408 1.00 0.00 C ATOM 1808 CG GLU A 119 -8.186 7.744 1.570 1.00 0.00 C ATOM 1809 CD GLU A 119 -9.625 7.566 2.041 1.00 0.00 C ATOM 1810 OE1 GLU A 119 -10.504 8.259 1.488 1.00 0.00 O ATOM 1811 OE2 GLU A 119 -9.815 6.672 2.897 1.00 0.00 O ATOM 0 H GLU A 119 -5.725 6.694 1.786 1.00 0.00 H new ATOM 0 HA GLU A 119 -6.245 6.293 -0.934 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -8.569 6.934 -0.384 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -7.900 5.777 0.750 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.508 7.557 2.403 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -8.033 8.778 1.261 1.00 0.00 H new ATOM 1818 N LEU A 120 -6.257 8.417 -2.168 1.00 0.00 N ATOM 1819 CA LEU A 120 -6.292 9.660 -2.965 1.00 0.00 C ATOM 1820 C LEU A 120 -7.374 9.593 -4.058 1.00 0.00 C ATOM 1821 O LEU A 120 -7.225 10.032 -5.195 1.00 0.00 O ATOM 1822 CB LEU A 120 -4.877 9.962 -3.492 1.00 0.00 C ATOM 1823 CG LEU A 120 -4.509 11.450 -3.667 1.00 0.00 C ATOM 1824 CD1 LEU A 120 -5.234 12.148 -4.820 1.00 0.00 C ATOM 1825 CD2 LEU A 120 -4.725 12.258 -2.388 1.00 0.00 C ATOM 0 H LEU A 120 -6.146 7.566 -2.719 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.585 10.502 -2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -4.156 9.510 -2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -4.759 9.466 -4.455 1.00 0.00 H new ATOM 0 HG LEU A 120 -3.447 11.425 -3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.917 13.190 -4.872 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -4.992 11.648 -5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -6.310 12.104 -4.653 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.451 13.298 -2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -5.774 12.203 -2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.104 11.850 -1.590 1.00 0.00 H new ATOM 1837 N ASP A 121 -8.462 8.916 -3.715 1.00 0.00 N ATOM 1838 CA ASP A 121 -9.641 8.877 -4.586 1.00 0.00 C ATOM 1839 C ASP A 121 -10.915 9.308 -3.858 1.00 0.00 C ATOM 1840 O ASP A 121 -11.240 8.714 -2.829 1.00 0.00 O ATOM 1841 CB ASP A 121 -9.829 7.506 -5.240 1.00 0.00 C ATOM 1842 CG ASP A 121 -9.159 7.395 -6.616 1.00 0.00 C ATOM 1843 OD1 ASP A 121 -8.729 8.441 -7.140 1.00 0.00 O ATOM 1844 OD2 ASP A 121 -9.209 6.275 -7.171 1.00 0.00 O ATOM 0 H ASP A 121 -8.558 8.388 -2.847 1.00 0.00 H new ATOM 0 HA ASP A 121 -9.454 9.601 -5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -9.422 6.738 -4.582 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -10.895 7.304 -5.345 1.00 0.00 H new ATOM 1849 N PRO A 122 -11.694 10.195 -4.491 1.00 0.00 N ATOM 1850 CA PRO A 122 -13.019 10.588 -3.978 1.00 0.00 C ATOM 1851 C PRO A 122 -14.066 9.461 -4.077 1.00 0.00 C ATOM 1852 O PRO A 122 -15.169 9.594 -3.559 1.00 0.00 O ATOM 1853 CB PRO A 122 -13.389 11.828 -4.794 1.00 0.00 C ATOM 1854 CG PRO A 122 -12.694 11.602 -6.137 1.00 0.00 C ATOM 1855 CD PRO A 122 -11.390 10.902 -5.755 1.00 0.00 C ATOM 0 HA PRO A 122 -12.994 10.800 -2.909 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -14.468 11.921 -4.913 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -13.041 12.742 -4.313 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -13.299 10.987 -6.803 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -12.507 12.543 -6.655 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -11.073 10.205 -6.531 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -10.581 11.620 -5.622 1.00 0.00 H new ATOM 1863 N ASP A 123 -13.676 8.335 -4.680 1.00 0.00 N ATOM 1864 CA ASP A 123 -14.547 7.159 -4.862 1.00 0.00 C ATOM 1865 C ASP A 123 -13.772 5.837 -4.685 1.00 0.00 C ATOM 1866 O ASP A 123 -13.916 4.906 -5.473 1.00 0.00 O ATOM 1867 CB ASP A 123 -15.208 7.278 -6.242 1.00 0.00 C ATOM 1868 CG ASP A 123 -16.539 6.524 -6.276 1.00 0.00 C ATOM 1869 OD1 ASP A 123 -17.463 7.003 -5.584 1.00 0.00 O ATOM 1870 OD2 ASP A 123 -16.614 5.519 -7.015 1.00 0.00 O ATOM 0 H ASP A 123 -12.739 8.208 -5.061 1.00 0.00 H new ATOM 0 HA ASP A 123 -15.318 7.138 -4.092 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -15.374 8.328 -6.481 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -14.540 6.879 -7.005 1.00 0.00 H new ATOM 1875 N GLN A 124 -12.868 5.839 -3.701 1.00 0.00 N ATOM 1876 CA GLN A 124 -12.015 4.691 -3.331 1.00 0.00 C ATOM 1877 C GLN A 124 -11.229 5.015 -2.040 1.00 0.00 C ATOM 1878 O GLN A 124 -10.196 5.687 -2.087 1.00 0.00 O ATOM 1879 CB GLN A 124 -11.135 4.300 -4.530 1.00 0.00 C ATOM 1880 CG GLN A 124 -10.012 3.304 -4.260 1.00 0.00 C ATOM 1881 CD GLN A 124 -8.676 4.028 -4.080 1.00 0.00 C ATOM 1882 OE1 GLN A 124 -8.228 4.645 -5.137 1.00 0.00 O flip ATOM 1883 NE2 GLN A 124 -8.058 4.102 -3.024 1.00 0.00 N flip ATOM 0 H GLN A 124 -12.700 6.660 -3.119 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.618 3.814 -3.097 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -11.780 3.884 -5.304 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.693 5.209 -4.938 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -10.241 2.725 -3.365 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -9.940 2.598 -5.087 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -8.406 3.620 -2.195 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -7.196 4.645 -2.974 1.00 0.00 H new ATOM 1892 N PRO A 125 -11.864 4.767 -0.886 1.00 0.00 N ATOM 1893 CA PRO A 125 -11.201 4.910 0.419 1.00 0.00 C ATOM 1894 C PRO A 125 -10.218 3.765 0.672 1.00 0.00 C ATOM 1895 O PRO A 125 -10.321 2.680 0.101 1.00 0.00 O ATOM 1896 CB PRO A 125 -12.333 4.973 1.445 1.00 0.00 C ATOM 1897 CG PRO A 125 -13.472 4.198 0.788 1.00 0.00 C ATOM 1898 CD PRO A 125 -13.305 4.491 -0.704 1.00 0.00 C ATOM 0 HA PRO A 125 -10.588 5.809 0.476 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -12.038 4.522 2.393 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -12.622 6.002 1.658 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -13.401 3.130 0.996 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -14.444 4.530 1.154 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -13.623 3.643 -1.310 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -13.911 5.345 -1.008 1.00 0.00 H new ATOM 1906 N ALA A 126 -9.364 3.995 1.658 1.00 0.00 N ATOM 1907 CA ALA A 126 -8.324 3.035 2.059 1.00 0.00 C ATOM 1908 C ALA A 126 -8.931 1.733 2.606 1.00 0.00 C ATOM 1909 O ALA A 126 -8.582 0.656 2.140 1.00 0.00 O ATOM 1910 CB ALA A 126 -7.437 3.728 3.084 1.00 0.00 C ATOM 0 H ALA A 126 -9.366 4.853 2.210 1.00 0.00 H new ATOM 0 HA ALA A 126 -7.731 2.737 1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -6.651 3.045 3.406 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -6.987 4.614 2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -8.037 4.022 3.945 1.00 0.00 H new ATOM 1916 N ALA A 127 -9.989 1.869 3.413 1.00 0.00 N ATOM 1917 CA ALA A 127 -10.832 0.739 3.854 1.00 0.00 C ATOM 1918 C ALA A 127 -11.380 -0.116 2.701 1.00 0.00 C ATOM 1919 O ALA A 127 -11.181 -1.323 2.723 1.00 0.00 O ATOM 1920 CB ALA A 127 -11.971 1.237 4.746 1.00 0.00 C ATOM 0 H ALA A 127 -10.291 2.770 3.784 1.00 0.00 H new ATOM 0 HA ALA A 127 -10.179 0.081 4.428 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -12.582 0.391 5.062 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -11.556 1.733 5.624 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -12.588 1.942 4.189 1.00 0.00 H new ATOM 1926 N ALA A 128 -11.787 0.526 1.607 1.00 0.00 N ATOM 1927 CA ALA A 128 -12.220 -0.178 0.379 1.00 0.00 C ATOM 1928 C ALA A 128 -11.053 -0.877 -0.346 1.00 0.00 C ATOM 1929 O ALA A 128 -11.169 -2.041 -0.726 1.00 0.00 O ATOM 1930 CB ALA A 128 -12.938 0.783 -0.570 1.00 0.00 C ATOM 0 H ALA A 128 -11.830 1.543 1.537 1.00 0.00 H new ATOM 0 HA ALA A 128 -12.915 -0.957 0.692 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -13.248 0.246 -1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -13.816 1.197 -0.073 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -12.263 1.592 -0.848 1.00 0.00 H new ATOM 1936 N ILE A 129 -9.878 -0.248 -0.294 1.00 0.00 N ATOM 1937 CA ILE A 129 -8.605 -0.808 -0.806 1.00 0.00 C ATOM 1938 C ILE A 129 -8.014 -1.928 0.072 1.00 0.00 C ATOM 1939 O ILE A 129 -7.215 -2.751 -0.369 1.00 0.00 O ATOM 1940 CB ILE A 129 -7.628 0.333 -1.161 1.00 0.00 C ATOM 1941 CG1 ILE A 129 -8.168 1.080 -2.384 1.00 0.00 C ATOM 1942 CG2 ILE A 129 -6.168 -0.076 -1.413 1.00 0.00 C ATOM 1943 CD1 ILE A 129 -8.459 0.213 -3.623 1.00 0.00 C ATOM 0 H ILE A 129 -9.772 0.682 0.111 1.00 0.00 H new ATOM 0 HA ILE A 129 -8.818 -1.337 -1.735 1.00 0.00 H new ATOM 0 HB ILE A 129 -7.585 0.961 -0.271 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -9.087 1.591 -2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -7.449 1.850 -2.663 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -5.579 0.809 -1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -5.763 -0.550 -0.519 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -6.125 -0.777 -2.246 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -8.836 0.844 -4.428 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -7.542 -0.278 -3.947 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -9.205 -0.541 -3.372 1.00 0.00 H new ATOM 1955 N VAL A 130 -8.524 -2.008 1.285 1.00 0.00 N ATOM 1956 CA VAL A 130 -8.160 -3.063 2.238 1.00 0.00 C ATOM 1957 C VAL A 130 -9.212 -4.182 2.278 1.00 0.00 C ATOM 1958 O VAL A 130 -8.856 -5.348 2.395 1.00 0.00 O ATOM 1959 CB VAL A 130 -7.843 -2.368 3.566 1.00 0.00 C ATOM 1960 CG1 VAL A 130 -7.986 -3.267 4.795 1.00 0.00 C ATOM 1961 CG2 VAL A 130 -6.406 -1.840 3.484 1.00 0.00 C ATOM 0 H VAL A 130 -9.207 -1.344 1.649 1.00 0.00 H new ATOM 0 HA VAL A 130 -7.266 -3.610 1.938 1.00 0.00 H new ATOM 0 HB VAL A 130 -8.573 -1.569 3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -7.744 -2.698 5.692 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -9.011 -3.631 4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -7.305 -4.114 4.708 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -6.149 -1.338 4.417 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -5.722 -2.672 3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -6.324 -1.134 2.658 1.00 0.00 H new ATOM 1971 N ASN A 131 -10.472 -3.817 2.069 1.00 0.00 N ATOM 1972 CA ASN A 131 -11.596 -4.764 1.970 1.00 0.00 C ATOM 1973 C ASN A 131 -11.486 -5.597 0.682 1.00 0.00 C ATOM 1974 O ASN A 131 -11.799 -6.783 0.680 1.00 0.00 O ATOM 1975 CB ASN A 131 -12.917 -3.993 1.991 1.00 0.00 C ATOM 1976 CG ASN A 131 -14.053 -4.901 2.462 1.00 0.00 C ATOM 1977 OD1 ASN A 131 -14.487 -5.824 1.793 1.00 0.00 O ATOM 1978 ND2 ASN A 131 -14.523 -4.674 3.668 1.00 0.00 N ATOM 0 H ASN A 131 -10.754 -2.843 1.961 1.00 0.00 H new ATOM 0 HA ASN A 131 -11.563 -5.445 2.821 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -12.833 -3.131 2.653 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -13.138 -3.609 0.995 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -15.256 -5.272 4.051 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -14.155 -3.900 4.221 1.00 0.00 H new ATOM 1985 N PHE A 132 -10.899 -4.988 -0.348 1.00 0.00 N ATOM 1986 CA PHE A 132 -10.627 -5.661 -1.625 1.00 0.00 C ATOM 1987 C PHE A 132 -9.383 -6.559 -1.530 1.00 0.00 C ATOM 1988 O PHE A 132 -9.458 -7.725 -1.876 1.00 0.00 O ATOM 1989 CB PHE A 132 -10.573 -4.636 -2.774 1.00 0.00 C ATOM 1990 CG PHE A 132 -9.221 -4.526 -3.474 1.00 0.00 C ATOM 1991 CD1 PHE A 132 -8.834 -5.506 -4.385 1.00 0.00 C ATOM 1992 CD2 PHE A 132 -8.286 -3.609 -3.013 1.00 0.00 C ATOM 1993 CE1 PHE A 132 -7.526 -5.550 -4.816 1.00 0.00 C ATOM 1994 CE2 PHE A 132 -6.977 -3.649 -3.437 1.00 0.00 C ATOM 1995 CZ PHE A 132 -6.595 -4.626 -4.345 1.00 0.00 C ATOM 0 H PHE A 132 -10.597 -4.014 -0.324 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.451 -6.335 -1.857 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -11.328 -4.901 -3.514 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -10.843 -3.656 -2.380 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -9.553 -6.225 -4.750 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -8.592 -2.850 -2.308 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -7.220 -6.306 -5.524 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -6.259 -2.931 -3.069 1.00 0.00 H new ATOM 0 HZ PHE A 132 -5.572 -4.671 -4.688 1.00 0.00 H new ATOM 2005 N VAL A 133 -8.254 -6.011 -1.081 1.00 0.00 N ATOM 2006 CA VAL A 133 -6.998 -6.781 -0.975 1.00 0.00 C ATOM 2007 C VAL A 133 -7.113 -7.981 -0.007 1.00 0.00 C ATOM 2008 O VAL A 133 -6.498 -9.019 -0.227 1.00 0.00 O ATOM 2009 CB VAL A 133 -5.848 -5.802 -0.681 1.00 0.00 C ATOM 2010 CG1 VAL A 133 -5.747 -5.403 0.793 1.00 0.00 C ATOM 2011 CG2 VAL A 133 -4.526 -6.296 -1.271 1.00 0.00 C ATOM 0 H VAL A 133 -8.175 -5.039 -0.783 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.772 -7.267 -1.924 1.00 0.00 H new ATOM 0 HB VAL A 133 -6.091 -4.872 -1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -4.915 -4.712 0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -6.673 -4.920 1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -5.581 -6.293 1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -3.736 -5.580 -1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -4.274 -7.264 -0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -4.625 -6.397 -2.352 1.00 0.00 H new ATOM 2021 N SER A 134 -7.970 -7.815 1.000 1.00 0.00 N ATOM 2022 CA SER A 134 -8.353 -8.859 1.976 1.00 0.00 C ATOM 2023 C SER A 134 -9.375 -9.867 1.416 1.00 0.00 C ATOM 2024 O SER A 134 -9.472 -10.990 1.903 1.00 0.00 O ATOM 2025 CB SER A 134 -8.907 -8.204 3.244 1.00 0.00 C ATOM 2026 OG SER A 134 -9.159 -9.163 4.271 1.00 0.00 O ATOM 0 H SER A 134 -8.437 -6.925 1.173 1.00 0.00 H new ATOM 0 HA SER A 134 -7.450 -9.424 2.206 1.00 0.00 H new ATOM 0 HB2 SER A 134 -8.198 -7.460 3.608 1.00 0.00 H new ATOM 0 HB3 SER A 134 -9.830 -7.675 3.006 1.00 0.00 H new ATOM 0 HG SER A 134 -9.510 -8.708 5.065 1.00 0.00 H new ATOM 2032 N ARG A 135 -10.162 -9.454 0.423 1.00 0.00 N ATOM 2033 CA ARG A 135 -11.098 -10.369 -0.266 1.00 0.00 C ATOM 2034 C ARG A 135 -10.474 -11.073 -1.492 1.00 0.00 C ATOM 2035 O ARG A 135 -11.007 -12.067 -1.983 1.00 0.00 O ATOM 2036 CB ARG A 135 -12.397 -9.628 -0.624 1.00 0.00 C ATOM 2037 CG ARG A 135 -12.390 -8.911 -1.979 1.00 0.00 C ATOM 2038 CD ARG A 135 -13.687 -8.150 -2.199 1.00 0.00 C ATOM 2039 NE ARG A 135 -14.110 -8.314 -3.600 1.00 0.00 N ATOM 2040 CZ ARG A 135 -15.197 -7.759 -4.138 1.00 0.00 C ATOM 2041 NH1 ARG A 135 -15.959 -6.934 -3.433 1.00 0.00 N ATOM 2042 NH2 ARG A 135 -15.534 -8.015 -5.392 1.00 0.00 N ATOM 0 H ARG A 135 -10.177 -8.496 0.072 1.00 0.00 H new ATOM 0 HA ARG A 135 -11.337 -11.172 0.432 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -13.219 -10.344 -0.615 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -12.604 -8.895 0.155 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -11.547 -8.221 -2.025 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -12.251 -9.638 -2.779 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -14.460 -8.522 -1.527 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -13.547 -7.094 -1.970 1.00 0.00 H new ATOM 0 HE ARG A 135 -13.529 -8.895 -4.204 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -15.717 -6.717 -2.466 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -16.787 -6.517 -3.857 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -14.960 -8.642 -5.956 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -16.367 -7.585 -5.794 1.00 0.00 H new ATOM 2056 N VAL A 136 -9.526 -10.378 -2.118 1.00 0.00 N ATOM 2057 CA VAL A 136 -8.804 -10.830 -3.321 1.00 0.00 C ATOM 2058 C VAL A 136 -7.670 -11.818 -2.983 1.00 0.00 C ATOM 2059 O VAL A 136 -7.312 -12.671 -3.798 1.00 0.00 O ATOM 2060 CB VAL A 136 -8.356 -9.592 -4.126 1.00 0.00 C ATOM 2061 CG1 VAL A 136 -6.979 -9.010 -3.771 1.00 0.00 C ATOM 2062 CG2 VAL A 136 -8.519 -9.864 -5.618 1.00 0.00 C ATOM 0 H VAL A 136 -9.225 -9.457 -1.798 1.00 0.00 H new ATOM 0 HA VAL A 136 -9.470 -11.411 -3.959 1.00 0.00 H new ATOM 0 HB VAL A 136 -9.025 -8.786 -3.824 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -6.776 -8.145 -4.402 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -6.972 -8.705 -2.725 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -6.211 -9.766 -3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -8.202 -8.988 -6.184 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -7.907 -10.720 -5.901 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -9.565 -10.078 -5.837 1.00 0.00 H new ATOM 2072 N MET A 137 -7.135 -11.660 -1.770 1.00 0.00 N ATOM 2073 CA MET A 137 -6.062 -12.510 -1.225 1.00 0.00 C ATOM 2074 C MET A 137 -6.541 -13.961 -1.186 1.00 0.00 C ATOM 2075 O MET A 137 -7.662 -14.243 -0.766 1.00 0.00 O ATOM 2076 CB MET A 137 -5.625 -12.046 0.174 1.00 0.00 C ATOM 2077 CG MET A 137 -6.725 -12.072 1.243 1.00 0.00 C ATOM 2078 SD MET A 137 -6.520 -13.366 2.519 1.00 0.00 S ATOM 2079 CE MET A 137 -8.119 -14.148 2.485 1.00 0.00 C ATOM 0 H MET A 137 -7.436 -10.929 -1.126 1.00 0.00 H new ATOM 0 HA MET A 137 -5.191 -12.429 -1.875 1.00 0.00 H new ATOM 0 HB2 MET A 137 -4.801 -12.677 0.508 1.00 0.00 H new ATOM 0 HB3 MET A 137 -5.238 -11.030 0.098 1.00 0.00 H new ATOM 0 HG2 MET A 137 -6.759 -11.099 1.734 1.00 0.00 H new ATOM 0 HG3 MET A 137 -7.687 -12.215 0.751 1.00 0.00 H new ATOM 0 HE1 MET A 137 -8.291 -14.666 3.428 1.00 0.00 H new ATOM 0 HE2 MET A 137 -8.891 -13.392 2.340 1.00 0.00 H new ATOM 0 HE3 MET A 137 -8.156 -14.865 1.665 1.00 0.00 H new ATOM 2089 N LEU A 138 -5.743 -14.806 -1.830 1.00 0.00 N ATOM 2090 CA LEU A 138 -6.023 -16.249 -1.974 1.00 0.00 C ATOM 2091 C LEU A 138 -7.495 -16.529 -2.360 1.00 0.00 C ATOM 2092 O LEU A 138 -8.239 -17.203 -1.646 1.00 0.00 O ATOM 2093 CB LEU A 138 -5.616 -16.933 -0.663 1.00 0.00 C ATOM 2094 CG LEU A 138 -4.717 -18.141 -0.924 1.00 0.00 C ATOM 2095 CD1 LEU A 138 -3.370 -17.941 -0.225 1.00 0.00 C ATOM 2096 CD2 LEU A 138 -5.401 -19.419 -0.436 1.00 0.00 C ATOM 0 H LEU A 138 -4.872 -14.516 -2.275 1.00 0.00 H new ATOM 0 HA LEU A 138 -5.441 -16.660 -2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -5.094 -16.220 -0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -6.508 -17.251 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 138 -4.541 -18.238 -1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -2.731 -18.804 -0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -2.889 -17.042 -0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.529 -17.834 0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -4.753 -20.274 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -5.595 -19.342 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.343 -19.553 -0.967 1.00 0.00 H new ATOM 2108 N GLY A 139 -7.919 -15.842 -3.430 1.00 0.00 N ATOM 2109 CA GLY A 139 -9.295 -15.960 -3.948 1.00 0.00 C ATOM 2110 C GLY A 139 -9.326 -16.631 -5.325 1.00 0.00 C ATOM 2111 O GLY A 139 -8.365 -17.274 -5.754 1.00 0.00 O ATOM 0 H GLY A 139 -7.330 -15.197 -3.956 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -9.899 -16.537 -3.248 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -9.745 -14.969 -4.016 1.00 0.00 H new ATOM 2115 N SER A 140 -10.434 -16.389 -6.016 1.00 0.00 N ATOM 2116 CA SER A 140 -10.675 -16.886 -7.386 1.00 0.00 C ATOM 2117 C SER A 140 -11.707 -16.002 -8.098 1.00 0.00 C ATOM 2118 O SER A 140 -12.391 -15.195 -7.469 1.00 0.00 O ATOM 2119 CB SER A 140 -11.129 -18.352 -7.390 1.00 0.00 C ATOM 2120 OG SER A 140 -12.423 -18.483 -6.801 1.00 0.00 O ATOM 0 H SER A 140 -11.207 -15.836 -5.645 1.00 0.00 H new ATOM 0 HA SER A 140 -9.730 -16.836 -7.927 1.00 0.00 H new ATOM 0 HB2 SER A 140 -11.150 -18.728 -8.413 1.00 0.00 H new ATOM 0 HB3 SER A 140 -10.411 -18.961 -6.841 1.00 0.00 H new ATOM 0 HG SER A 140 -12.695 -19.424 -6.815 1.00 0.00 H new ATOM 2126 N GLY A 141 -11.707 -16.107 -9.431 1.00 0.00 N ATOM 2127 CA GLY A 141 -12.618 -15.310 -10.276 1.00 0.00 C ATOM 2128 C GLY A 141 -12.332 -15.535 -11.758 1.00 0.00 C ATOM 2129 O GLY A 141 -12.841 -16.481 -12.360 1.00 0.00 O ATOM 0 H GLY A 141 -11.091 -16.732 -9.951 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -13.651 -15.580 -10.057 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -12.507 -14.252 -10.038 1.00 0.00 H new ATOM 2133 N GLN A 142 -11.395 -14.727 -12.258 1.00 0.00 N ATOM 2134 CA GLN A 142 -10.925 -14.681 -13.662 1.00 0.00 C ATOM 2135 C GLN A 142 -11.996 -14.100 -14.612 1.00 0.00 C ATOM 2136 O GLN A 142 -11.777 -13.055 -15.220 1.00 0.00 O ATOM 2137 CB GLN A 142 -10.420 -16.072 -14.094 1.00 0.00 C ATOM 2138 CG GLN A 142 -9.345 -16.060 -15.185 1.00 0.00 C ATOM 2139 CD GLN A 142 -9.895 -15.690 -16.561 1.00 0.00 C ATOM 2140 OE1 GLN A 142 -9.977 -14.536 -16.953 1.00 0.00 O ATOM 2141 NE2 GLN A 142 -10.269 -16.684 -17.335 1.00 0.00 N ATOM 0 H GLN A 142 -10.912 -14.047 -11.671 1.00 0.00 H new ATOM 0 HA GLN A 142 -10.082 -13.993 -13.727 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -10.022 -16.586 -13.219 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -11.269 -16.656 -14.448 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -8.564 -15.352 -14.910 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -8.879 -17.044 -15.239 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -10.198 -17.645 -17.001 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -10.631 -16.494 -18.270 1.00 0.00 H new ATOM 2150 N LYS A 143 -13.203 -14.660 -14.563 1.00 0.00 N ATOM 2151 CA LYS A 143 -14.350 -14.183 -15.360 1.00 0.00 C ATOM 2152 C LYS A 143 -15.510 -13.807 -14.423 1.00 0.00 C ATOM 2153 O LYS A 143 -16.067 -14.663 -13.739 1.00 0.00 O ATOM 2154 CB LYS A 143 -14.778 -15.292 -16.322 1.00 0.00 C ATOM 2155 CG LYS A 143 -15.698 -14.790 -17.440 1.00 0.00 C ATOM 2156 CD LYS A 143 -14.949 -14.578 -18.762 1.00 0.00 C ATOM 2157 CE LYS A 143 -14.598 -13.115 -19.049 1.00 0.00 C ATOM 2158 NZ LYS A 143 -13.174 -12.818 -18.830 1.00 0.00 N ATOM 0 H LYS A 143 -13.422 -15.460 -13.970 1.00 0.00 H new ATOM 0 HA LYS A 143 -14.067 -13.299 -15.932 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -13.891 -15.745 -16.764 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -15.289 -16.075 -15.762 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -16.504 -15.507 -17.593 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -16.160 -13.852 -17.133 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -14.031 -15.165 -18.746 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -15.559 -14.962 -19.580 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -14.859 -12.879 -20.080 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -15.202 -12.469 -18.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -12.992 -11.815 -19.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -12.926 -13.016 -17.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -12.595 -13.413 -19.457 1.00 0.00 H new ATOM 2172 N ARG A 144 -15.800 -12.508 -14.361 1.00 0.00 N ATOM 2173 CA ARG A 144 -16.832 -11.927 -13.461 1.00 0.00 C ATOM 2174 C ARG A 144 -16.631 -12.159 -11.947 1.00 0.00 C ATOM 2175 O ARG A 144 -17.293 -11.427 -11.178 1.00 0.00 O ATOM 2176 CB ARG A 144 -18.262 -12.319 -13.870 1.00 0.00 C ATOM 2177 CG ARG A 144 -18.767 -11.414 -14.994 1.00 0.00 C ATOM 2178 CD ARG A 144 -18.775 -12.089 -16.370 1.00 0.00 C ATOM 2179 NE ARG A 144 -18.589 -11.084 -17.435 1.00 0.00 N ATOM 2180 CZ ARG A 144 -19.358 -10.029 -17.735 1.00 0.00 C ATOM 2181 NH1 ARG A 144 -20.501 -9.771 -17.111 1.00 0.00 N ATOM 2182 NH2 ARG A 144 -18.986 -9.204 -18.701 1.00 0.00 N ATOM 2183 OXT ARG A 144 -15.733 -12.952 -11.584 1.00 99.99 O ATOM 0 H ARG A 144 -15.327 -11.810 -14.935 1.00 0.00 H new ATOM 0 HA ARG A 144 -16.690 -10.856 -13.608 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -18.281 -13.359 -14.197 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -18.926 -12.244 -13.009 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -19.778 -11.082 -14.756 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -18.142 -10.522 -15.040 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -17.981 -12.834 -16.421 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -19.717 -12.616 -16.519 1.00 0.00 H new ATOM 0 HE ARG A 144 -17.764 -11.210 -18.021 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -20.827 -10.389 -16.368 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -21.053 -8.955 -17.375 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -18.119 -9.374 -19.211 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -19.566 -8.398 -18.935 1.00 0.00 H new TER 2197 ARG A 144