USER MOD reduce.3.24.130724 H: found=0, std=0, add=1038, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1036 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 65 THR OG1 : rot 158:sc= -1.78! USER MOD Set 1.2: A 118 SER OG : rot 180:sc= -0.568 USER MOD Set 1.3: A 122 LYS NZ :NH3+ -164:sc= 0.014! (180deg=-1.56) USER MOD Set 2.1: A 68 ASN : amide:sc= 0.0472 K(o=0.052,f=-1.4) USER MOD Set 2.2: A 72 LYS NZ :NH3+ 162:sc= 0.00491 (180deg=-0.204) USER MOD Set 3.1: A 59 MET CE :methyl 177:sc= -17.1! (180deg=-17.4!) USER MOD Set 3.2: A 63 CYS SG : rot 180:sc= -0.988 USER MOD Set 4.1: A 45 HIS : no HD1:sc= -0.874 K(o=-7.5,f=-8.1) USER MOD Set 4.2: A 48 LYS NZ :NH3+ 171:sc= 0 (180deg=0) USER MOD Set 4.3: A 64 HIS : no HE2:sc= -6.64! C(o=-7.5!,f=-8.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.149 (180deg=-0.475) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 21 ASN : amide:sc= -3.82! C(o=-3.8!,f=-5.4!) USER MOD Single : A 23 THR OG1 : rot 69:sc= 1.28 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN :FLIP amide:sc= -1.46 F(o=-2,f=-1.5) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.4) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -157:sc= -0.398 (180deg=-2.04!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -167:sc= -1.73 (180deg=-3.04!) USER MOD Single : A 57 SER OG : rot 180:sc= 0.179 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.11) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -164:sc= 1.28 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl -159:sc= -0.108 (180deg=-1.27!) USER MOD Single : A 96 THR OG1 : rot 80:sc= 0.391 USER MOD Single : A 98 MET CE :methyl -105:sc= -7.93! (180deg=-9.4!) USER MOD Single : A 101 LYS NZ :NH3+ -131:sc= -2.58! (180deg=-5.99!) USER MOD Single : A 104 SER OG : rot -74:sc= 0.0642 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.914 K(o=-0.91,f=-1.9) USER MOD Single : A 120 THR OG1 : rot 90:sc= 0.21 USER MOD Single : A 123 SER OG : rot 101:sc= 0.462 USER MOD Single : A 126 SER OG : rot 180:sc= 0.00935 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ -122:sc= -0.0615 (180deg=-0.701) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.184 -30.007 0.249 1.00 0.00 N ATOM 2 CA MET A 1 7.865 -29.464 -0.961 1.00 0.00 C ATOM 3 C MET A 1 6.897 -28.595 -1.768 1.00 0.00 C ATOM 4 O MET A 1 5.698 -28.641 -1.576 1.00 0.00 O ATOM 5 CB MET A 1 8.282 -30.695 -1.768 1.00 0.00 C ATOM 6 CG MET A 1 7.033 -31.420 -2.272 1.00 0.00 C ATOM 7 SD MET A 1 6.882 -33.017 -1.431 1.00 0.00 S ATOM 8 CE MET A 1 5.078 -33.137 -1.498 1.00 0.00 C ATOM 0 H1 MET A 1 7.650 -29.641 1.103 1.00 0.00 H new ATOM 0 H2 MET A 1 6.186 -29.714 0.247 1.00 0.00 H new ATOM 0 H3 MET A 1 7.240 -31.045 0.242 1.00 0.00 H new ATOM 0 HA MET A 1 8.719 -28.836 -0.707 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.907 -30.397 -2.610 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.879 -31.364 -1.149 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.147 -30.813 -2.085 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.096 -31.569 -3.350 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.757 -34.066 -1.026 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.637 -32.291 -0.971 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.751 -33.127 -2.538 1.00 0.00 H new ATOM 20 N MET A 2 7.407 -27.802 -2.671 1.00 0.00 N ATOM 21 CA MET A 2 6.514 -26.932 -3.489 1.00 0.00 C ATOM 22 C MET A 2 5.653 -26.051 -2.578 1.00 0.00 C ATOM 23 O MET A 2 4.440 -26.123 -2.595 1.00 0.00 O ATOM 24 CB MET A 2 5.638 -27.897 -4.288 1.00 0.00 C ATOM 25 CG MET A 2 6.524 -28.791 -5.158 1.00 0.00 C ATOM 26 SD MET A 2 6.775 -28.007 -6.768 1.00 0.00 S ATOM 27 CE MET A 2 8.577 -27.866 -6.673 1.00 0.00 C ATOM 0 H MET A 2 8.402 -27.719 -2.878 1.00 0.00 H new ATOM 0 HA MET A 2 7.076 -26.262 -4.139 1.00 0.00 H new ATOM 0 HB2 MET A 2 5.041 -28.508 -3.611 1.00 0.00 H new ATOM 0 HB3 MET A 2 4.941 -27.339 -4.913 1.00 0.00 H new ATOM 0 HG2 MET A 2 7.484 -28.957 -4.669 1.00 0.00 H new ATOM 0 HG3 MET A 2 6.059 -29.768 -5.286 1.00 0.00 H new ATOM 0 HE1 MET A 2 8.954 -27.399 -7.583 1.00 0.00 H new ATOM 0 HE2 MET A 2 8.849 -27.256 -5.812 1.00 0.00 H new ATOM 0 HE3 MET A 2 9.015 -28.859 -6.567 1.00 0.00 H new ATOM 37 N GLU A 3 6.272 -25.224 -1.780 1.00 0.00 N ATOM 38 CA GLU A 3 5.491 -24.342 -0.866 1.00 0.00 C ATOM 39 C GLU A 3 6.387 -23.262 -0.281 1.00 0.00 C ATOM 40 O GLU A 3 5.987 -22.129 -0.090 1.00 0.00 O ATOM 41 CB GLU A 3 4.992 -25.264 0.240 1.00 0.00 C ATOM 42 CG GLU A 3 6.169 -26.064 0.802 1.00 0.00 C ATOM 43 CD GLU A 3 5.646 -27.161 1.731 1.00 0.00 C ATOM 44 OE1 GLU A 3 4.460 -27.444 1.672 1.00 0.00 O ATOM 45 OE2 GLU A 3 6.438 -27.697 2.486 1.00 0.00 O ATOM 0 H GLU A 3 7.285 -25.121 -1.721 1.00 0.00 H new ATOM 0 HA GLU A 3 4.675 -23.837 -1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.523 -24.680 1.032 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.231 -25.940 -0.150 1.00 0.00 H new ATOM 0 HG2 GLU A 3 6.743 -26.506 -0.012 1.00 0.00 H new ATOM 0 HG3 GLU A 3 6.844 -25.404 1.346 1.00 0.00 H new ATOM 52 N GLU A 4 7.591 -23.617 0.008 1.00 0.00 N ATOM 53 CA GLU A 4 8.541 -22.633 0.591 1.00 0.00 C ATOM 54 C GLU A 4 8.421 -21.307 -0.140 1.00 0.00 C ATOM 55 O GLU A 4 8.507 -20.242 0.439 1.00 0.00 O ATOM 56 CB GLU A 4 9.925 -23.241 0.377 1.00 0.00 C ATOM 57 CG GLU A 4 10.149 -23.492 -1.115 1.00 0.00 C ATOM 58 CD GLU A 4 11.412 -24.333 -1.307 1.00 0.00 C ATOM 59 OE1 GLU A 4 12.480 -23.847 -0.970 1.00 0.00 O ATOM 60 OE2 GLU A 4 11.290 -25.447 -1.790 1.00 0.00 O ATOM 0 H GLU A 4 7.970 -24.554 -0.133 1.00 0.00 H new ATOM 0 HA GLU A 4 8.345 -22.438 1.645 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.692 -22.569 0.762 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.012 -24.176 0.931 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.288 -24.007 -1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.247 -22.544 -1.643 1.00 0.00 H new ATOM 67 N TYR A 5 8.219 -21.380 -1.410 1.00 0.00 N ATOM 68 CA TYR A 5 8.081 -20.141 -2.226 1.00 0.00 C ATOM 69 C TYR A 5 7.138 -19.167 -1.536 1.00 0.00 C ATOM 70 O TYR A 5 7.335 -17.969 -1.550 1.00 0.00 O ATOM 71 CB TYR A 5 7.499 -20.600 -3.564 1.00 0.00 C ATOM 72 CG TYR A 5 8.618 -21.030 -4.481 1.00 0.00 C ATOM 73 CD1 TYR A 5 9.663 -20.145 -4.777 1.00 0.00 C ATOM 74 CD2 TYR A 5 8.613 -22.317 -5.036 1.00 0.00 C ATOM 75 CE1 TYR A 5 10.701 -20.547 -5.627 1.00 0.00 C ATOM 76 CE2 TYR A 5 9.651 -22.717 -5.887 1.00 0.00 C ATOM 77 CZ TYR A 5 10.695 -21.832 -6.182 1.00 0.00 C ATOM 78 OH TYR A 5 11.720 -22.229 -7.016 1.00 0.00 O ATOM 0 H TYR A 5 8.141 -22.252 -1.934 1.00 0.00 H new ATOM 0 HA TYR A 5 9.032 -19.626 -2.359 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.806 -21.427 -3.406 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.931 -19.790 -4.022 1.00 0.00 H new ATOM 0 HD1 TYR A 5 9.668 -19.153 -4.350 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.809 -23.000 -4.807 1.00 0.00 H new ATOM 0 HE1 TYR A 5 11.507 -19.865 -5.854 1.00 0.00 H new ATOM 0 HE2 TYR A 5 9.646 -23.708 -6.316 1.00 0.00 H new ATOM 0 HH TYR A 5 11.562 -23.149 -7.313 1.00 0.00 H new ATOM 88 N LEU A 6 6.122 -19.683 -0.926 1.00 0.00 N ATOM 89 CA LEU A 6 5.149 -18.808 -0.213 1.00 0.00 C ATOM 90 C LEU A 6 5.699 -18.439 1.168 1.00 0.00 C ATOM 91 O LEU A 6 5.393 -17.397 1.713 1.00 0.00 O ATOM 92 CB LEU A 6 3.866 -19.642 -0.094 1.00 0.00 C ATOM 93 CG LEU A 6 3.967 -20.599 1.098 1.00 0.00 C ATOM 94 CD1 LEU A 6 3.410 -19.916 2.349 1.00 0.00 C ATOM 95 CD2 LEU A 6 3.155 -21.863 0.805 1.00 0.00 C ATOM 0 H LEU A 6 5.915 -20.681 -0.886 1.00 0.00 H new ATOM 0 HA LEU A 6 4.964 -17.872 -0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.006 -18.984 0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.705 -20.208 -1.012 1.00 0.00 H new ATOM 0 HG LEU A 6 5.011 -20.866 1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.482 -20.596 3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.985 -19.014 2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.366 -19.650 2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.226 -22.545 1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.111 -21.595 0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.549 -22.350 -0.087 1.00 0.00 H new ATOM 107 N GLY A 7 6.511 -19.289 1.732 1.00 0.00 N ATOM 108 CA GLY A 7 7.085 -18.992 3.074 1.00 0.00 C ATOM 109 C GLY A 7 7.739 -17.610 3.054 1.00 0.00 C ATOM 110 O GLY A 7 7.471 -16.775 3.894 1.00 0.00 O ATOM 0 H GLY A 7 6.802 -20.176 1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.302 -19.025 3.832 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.820 -19.750 3.343 1.00 0.00 H new ATOM 114 N VAL A 8 8.594 -17.360 2.101 1.00 0.00 N ATOM 115 CA VAL A 8 9.260 -16.029 2.032 1.00 0.00 C ATOM 116 C VAL A 8 8.319 -15.004 1.414 1.00 0.00 C ATOM 117 O VAL A 8 8.385 -13.824 1.695 1.00 0.00 O ATOM 118 CB VAL A 8 10.485 -16.240 1.144 1.00 0.00 C ATOM 119 CG1 VAL A 8 11.147 -14.891 0.862 1.00 0.00 C ATOM 120 CG2 VAL A 8 11.478 -17.158 1.859 1.00 0.00 C ATOM 0 H VAL A 8 8.860 -18.018 1.369 1.00 0.00 H new ATOM 0 HA VAL A 8 9.536 -15.654 3.018 1.00 0.00 H new ATOM 0 HB VAL A 8 10.180 -16.698 0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.021 -15.040 0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.438 -14.237 0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.454 -14.433 1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.353 -17.310 1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.785 -16.700 2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.005 -18.119 2.061 1.00 0.00 H new ATOM 130 N PHE A 9 7.441 -15.459 0.584 1.00 0.00 N ATOM 131 CA PHE A 9 6.469 -14.534 -0.065 1.00 0.00 C ATOM 132 C PHE A 9 5.525 -13.954 0.991 1.00 0.00 C ATOM 133 O PHE A 9 5.057 -12.838 0.877 1.00 0.00 O ATOM 134 CB PHE A 9 5.697 -15.402 -1.058 1.00 0.00 C ATOM 135 CG PHE A 9 5.923 -14.895 -2.461 1.00 0.00 C ATOM 136 CD1 PHE A 9 5.541 -13.593 -2.806 1.00 0.00 C ATOM 137 CD2 PHE A 9 6.515 -15.727 -3.421 1.00 0.00 C ATOM 138 CE1 PHE A 9 5.749 -13.124 -4.109 1.00 0.00 C ATOM 139 CE2 PHE A 9 6.724 -15.258 -4.723 1.00 0.00 C ATOM 140 CZ PHE A 9 6.341 -13.956 -5.067 1.00 0.00 C ATOM 0 H PHE A 9 7.347 -16.440 0.319 1.00 0.00 H new ATOM 0 HA PHE A 9 6.957 -13.693 -0.559 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.023 -16.439 -0.979 1.00 0.00 H new ATOM 0 HB3 PHE A 9 4.633 -15.383 -0.821 1.00 0.00 H new ATOM 0 HD1 PHE A 9 5.086 -12.950 -2.067 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.810 -16.731 -3.156 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.453 -12.120 -4.375 1.00 0.00 H new ATOM 0 HE2 PHE A 9 7.180 -15.900 -5.462 1.00 0.00 H new ATOM 0 HZ PHE A 9 6.502 -13.593 -6.071 1.00 0.00 H new ATOM 150 N VAL A 10 5.246 -14.707 2.020 1.00 0.00 N ATOM 151 CA VAL A 10 4.337 -14.203 3.088 1.00 0.00 C ATOM 152 C VAL A 10 5.146 -13.480 4.168 1.00 0.00 C ATOM 153 O VAL A 10 4.725 -12.472 4.698 1.00 0.00 O ATOM 154 CB VAL A 10 3.662 -15.451 3.658 1.00 0.00 C ATOM 155 CG1 VAL A 10 2.751 -15.055 4.819 1.00 0.00 C ATOM 156 CG2 VAL A 10 2.826 -16.122 2.565 1.00 0.00 C ATOM 0 H VAL A 10 5.608 -15.649 2.167 1.00 0.00 H new ATOM 0 HA VAL A 10 3.607 -13.488 2.709 1.00 0.00 H new ATOM 0 HB VAL A 10 4.424 -16.144 4.014 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.270 -15.945 5.224 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.343 -14.575 5.599 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.989 -14.362 4.463 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.344 -17.012 2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.065 -15.427 2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.473 -16.406 1.735 1.00 0.00 H new ATOM 166 N ASP A 11 6.311 -13.977 4.494 1.00 0.00 N ATOM 167 CA ASP A 11 7.134 -13.292 5.531 1.00 0.00 C ATOM 168 C ASP A 11 7.574 -11.932 5.004 1.00 0.00 C ATOM 169 O ASP A 11 7.928 -11.038 5.747 1.00 0.00 O ATOM 170 CB ASP A 11 8.338 -14.206 5.761 1.00 0.00 C ATOM 171 CG ASP A 11 8.239 -14.843 7.148 1.00 0.00 C ATOM 172 OD1 ASP A 11 7.822 -14.156 8.065 1.00 0.00 O ATOM 173 OD2 ASP A 11 8.580 -16.007 7.269 1.00 0.00 O ATOM 0 H ASP A 11 6.724 -14.818 4.091 1.00 0.00 H new ATOM 0 HA ASP A 11 6.588 -13.121 6.459 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.371 -14.981 4.995 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.263 -13.635 5.677 1.00 0.00 H new ATOM 178 N GLU A 12 7.527 -11.775 3.719 1.00 0.00 N ATOM 179 CA GLU A 12 7.914 -10.478 3.102 1.00 0.00 C ATOM 180 C GLU A 12 6.678 -9.588 2.984 1.00 0.00 C ATOM 181 O GLU A 12 6.670 -8.457 3.430 1.00 0.00 O ATOM 182 CB GLU A 12 8.451 -10.840 1.719 1.00 0.00 C ATOM 183 CG GLU A 12 9.841 -11.463 1.859 1.00 0.00 C ATOM 184 CD GLU A 12 10.907 -10.387 1.646 1.00 0.00 C ATOM 185 OE1 GLU A 12 10.545 -9.297 1.238 1.00 0.00 O ATOM 186 OE2 GLU A 12 12.066 -10.673 1.896 1.00 0.00 O ATOM 0 H GLU A 12 7.234 -12.495 3.059 1.00 0.00 H new ATOM 0 HA GLU A 12 8.655 -9.935 3.688 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.775 -11.539 1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.501 -9.950 1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.953 -11.910 2.847 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.967 -12.264 1.131 1.00 0.00 H new ATOM 193 N THR A 13 5.629 -10.094 2.394 1.00 0.00 N ATOM 194 CA THR A 13 4.389 -9.282 2.251 1.00 0.00 C ATOM 195 C THR A 13 4.020 -8.655 3.599 1.00 0.00 C ATOM 196 O THR A 13 3.438 -7.591 3.663 1.00 0.00 O ATOM 197 CB THR A 13 3.313 -10.269 1.777 1.00 0.00 C ATOM 198 OG1 THR A 13 2.271 -9.551 1.131 1.00 0.00 O ATOM 199 CG2 THR A 13 2.739 -11.038 2.969 1.00 0.00 C ATOM 0 H THR A 13 5.578 -11.035 2.005 1.00 0.00 H new ATOM 0 HA THR A 13 4.504 -8.459 1.546 1.00 0.00 H new ATOM 0 HB THR A 13 3.761 -10.979 1.081 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.583 -10.178 0.825 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.977 -11.735 2.620 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.537 -11.591 3.463 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.293 -10.336 3.674 1.00 0.00 H new ATOM 207 N LYS A 14 4.371 -9.301 4.679 1.00 0.00 N ATOM 208 CA LYS A 14 4.056 -8.735 6.019 1.00 0.00 C ATOM 209 C LYS A 14 5.096 -7.676 6.375 1.00 0.00 C ATOM 210 O LYS A 14 4.769 -6.546 6.661 1.00 0.00 O ATOM 211 CB LYS A 14 4.135 -9.917 6.987 1.00 0.00 C ATOM 212 CG LYS A 14 2.889 -10.791 6.829 1.00 0.00 C ATOM 213 CD LYS A 14 3.276 -12.264 6.987 1.00 0.00 C ATOM 214 CE LYS A 14 2.422 -12.900 8.085 1.00 0.00 C ATOM 215 NZ LYS A 14 3.267 -13.994 8.642 1.00 0.00 N ATOM 0 H LYS A 14 4.862 -10.195 4.689 1.00 0.00 H new ATOM 0 HA LYS A 14 3.076 -8.259 6.055 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.032 -10.504 6.788 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.211 -9.556 8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.143 -10.518 7.575 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.437 -10.625 5.851 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.129 -12.793 6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.333 -12.348 7.239 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.160 -12.173 8.853 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.487 -13.289 7.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.750 -14.479 9.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.495 -14.674 7.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.147 -13.593 9.024 1.00 0.00 H new ATOM 229 N GLU A 15 6.351 -8.027 6.339 1.00 0.00 N ATOM 230 CA GLU A 15 7.402 -7.027 6.663 1.00 0.00 C ATOM 231 C GLU A 15 7.341 -5.877 5.662 1.00 0.00 C ATOM 232 O GLU A 15 7.927 -4.831 5.858 1.00 0.00 O ATOM 233 CB GLU A 15 8.725 -7.782 6.549 1.00 0.00 C ATOM 234 CG GLU A 15 8.697 -8.997 7.477 1.00 0.00 C ATOM 235 CD GLU A 15 9.398 -8.650 8.792 1.00 0.00 C ATOM 236 OE1 GLU A 15 10.618 -8.666 8.812 1.00 0.00 O ATOM 237 OE2 GLU A 15 8.705 -8.373 9.756 1.00 0.00 O ATOM 0 H GLU A 15 6.692 -8.958 6.100 1.00 0.00 H new ATOM 0 HA GLU A 15 7.277 -6.594 7.656 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.887 -8.101 5.519 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.555 -7.127 6.814 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.667 -9.297 7.670 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.192 -9.843 7.001 1.00 0.00 H new ATOM 244 N TYR A 16 6.624 -6.066 4.595 1.00 0.00 N ATOM 245 CA TYR A 16 6.503 -4.991 3.576 1.00 0.00 C ATOM 246 C TYR A 16 5.297 -4.109 3.887 1.00 0.00 C ATOM 247 O TYR A 16 5.273 -2.943 3.549 1.00 0.00 O ATOM 248 CB TYR A 16 6.322 -5.706 2.235 1.00 0.00 C ATOM 249 CG TYR A 16 7.597 -5.600 1.434 1.00 0.00 C ATOM 250 CD1 TYR A 16 8.154 -4.342 1.171 1.00 0.00 C ATOM 251 CD2 TYR A 16 8.221 -6.756 0.951 1.00 0.00 C ATOM 252 CE1 TYR A 16 9.335 -4.240 0.427 1.00 0.00 C ATOM 253 CE2 TYR A 16 9.402 -6.655 0.207 1.00 0.00 C ATOM 254 CZ TYR A 16 9.959 -5.398 -0.056 1.00 0.00 C ATOM 255 OH TYR A 16 11.123 -5.297 -0.792 1.00 0.00 O ATOM 0 H TYR A 16 6.113 -6.923 4.383 1.00 0.00 H new ATOM 0 HA TYR A 16 7.379 -4.342 3.562 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.069 -6.753 2.400 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.494 -5.262 1.682 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.672 -3.450 1.543 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.791 -7.726 1.152 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.765 -3.270 0.225 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.884 -7.547 -0.164 1.00 0.00 H new ATOM 0 HH TYR A 16 11.426 -6.193 -1.050 1.00 0.00 H new ATOM 265 N LEU A 17 4.307 -4.637 4.555 1.00 0.00 N ATOM 266 CA LEU A 17 3.135 -3.791 4.904 1.00 0.00 C ATOM 267 C LEU A 17 3.535 -2.958 6.112 1.00 0.00 C ATOM 268 O LEU A 17 3.154 -1.816 6.264 1.00 0.00 O ATOM 269 CB LEU A 17 1.985 -4.762 5.217 1.00 0.00 C ATOM 270 CG LEU A 17 2.061 -5.233 6.671 1.00 0.00 C ATOM 271 CD1 LEU A 17 1.463 -4.164 7.587 1.00 0.00 C ATOM 272 CD2 LEU A 17 1.274 -6.537 6.826 1.00 0.00 C ATOM 0 H LEU A 17 4.260 -5.606 4.870 1.00 0.00 H new ATOM 0 HA LEU A 17 2.820 -3.113 4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.028 -4.272 5.037 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.034 -5.621 4.547 1.00 0.00 H new ATOM 0 HG LEU A 17 3.103 -5.402 6.944 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.517 -4.500 8.622 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.023 -3.236 7.477 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.421 -3.993 7.315 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.328 -6.873 7.861 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.232 -6.368 6.553 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.701 -7.299 6.174 1.00 0.00 H new ATOM 284 N GLN A 18 4.360 -3.528 6.943 1.00 0.00 N ATOM 285 CA GLN A 18 4.867 -2.787 8.120 1.00 0.00 C ATOM 286 C GLN A 18 5.837 -1.756 7.615 1.00 0.00 C ATOM 287 O GLN A 18 5.788 -0.590 7.949 1.00 0.00 O ATOM 288 CB GLN A 18 5.631 -3.811 8.944 1.00 0.00 C ATOM 289 CG GLN A 18 4.847 -5.107 9.011 1.00 0.00 C ATOM 290 CD GLN A 18 4.625 -5.506 10.471 1.00 0.00 C ATOM 291 OE1 GLN A 18 3.912 -4.839 11.194 1.00 0.00 O ATOM 292 NE2 GLN A 18 5.211 -6.573 10.938 1.00 0.00 N ATOM 0 H GLN A 18 4.705 -4.484 6.853 1.00 0.00 H new ATOM 0 HA GLN A 18 4.077 -2.308 8.698 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.610 -3.991 8.500 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.802 -3.427 9.950 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.888 -4.988 8.507 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.386 -5.896 8.487 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.810 -7.133 10.331 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.071 -6.848 11.910 1.00 0.00 H new ATOM 301 N ASN A 19 6.716 -2.209 6.785 1.00 0.00 N ATOM 302 CA ASN A 19 7.716 -1.295 6.199 1.00 0.00 C ATOM 303 C ASN A 19 6.984 -0.284 5.338 1.00 0.00 C ATOM 304 O ASN A 19 7.414 0.837 5.150 1.00 0.00 O ATOM 305 CB ASN A 19 8.646 -2.183 5.368 1.00 0.00 C ATOM 306 CG ASN A 19 9.376 -1.330 4.328 1.00 0.00 C ATOM 307 OD1 ASN A 19 8.965 -1.258 3.188 1.00 0.00 O ATOM 308 ND2 ASN A 19 10.450 -0.676 4.677 1.00 0.00 N ATOM 0 H ASN A 19 6.786 -3.181 6.484 1.00 0.00 H new ATOM 0 HA ASN A 19 8.291 -0.741 6.941 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.367 -2.679 6.017 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.071 -2.966 4.873 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.944 -0.104 3.992 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.795 -0.737 5.635 1.00 0.00 H new ATOM 315 N LEU A 20 5.852 -0.678 4.847 1.00 0.00 N ATOM 316 CA LEU A 20 5.032 0.244 4.024 1.00 0.00 C ATOM 317 C LEU A 20 4.078 0.998 4.939 1.00 0.00 C ATOM 318 O LEU A 20 3.402 1.922 4.529 1.00 0.00 O ATOM 319 CB LEU A 20 4.258 -0.647 3.054 1.00 0.00 C ATOM 320 CG LEU A 20 3.227 0.193 2.295 1.00 0.00 C ATOM 321 CD1 LEU A 20 3.942 1.272 1.481 1.00 0.00 C ATOM 322 CD2 LEU A 20 2.431 -0.711 1.351 1.00 0.00 C ATOM 0 H LEU A 20 5.454 -1.608 4.981 1.00 0.00 H new ATOM 0 HA LEU A 20 5.632 0.977 3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.945 -1.120 2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.759 -1.448 3.600 1.00 0.00 H new ATOM 0 HG LEU A 20 2.551 0.666 3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.206 1.868 0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.511 1.917 2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.620 0.801 0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.696 -0.115 0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.110 -1.183 0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.919 -1.480 1.929 1.00 0.00 H new ATOM 334 N ASN A 21 4.054 0.643 6.194 1.00 0.00 N ATOM 335 CA ASN A 21 3.197 1.365 7.145 1.00 0.00 C ATOM 336 C ASN A 21 4.065 2.419 7.755 1.00 0.00 C ATOM 337 O ASN A 21 3.655 3.521 8.029 1.00 0.00 O ATOM 338 CB ASN A 21 2.761 0.347 8.190 1.00 0.00 C ATOM 339 CG ASN A 21 1.309 -0.059 7.932 1.00 0.00 C ATOM 340 OD1 ASN A 21 0.972 -1.225 7.993 1.00 0.00 O ATOM 341 ND2 ASN A 21 0.427 0.859 7.644 1.00 0.00 N ATOM 0 H ASN A 21 4.598 -0.122 6.593 1.00 0.00 H new ATOM 0 HA ASN A 21 2.315 1.822 6.696 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.407 -0.530 8.151 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.859 0.771 9.189 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.543 0.597 7.471 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.708 1.838 7.592 1.00 0.00 H new ATOM 348 N ASP A 22 5.297 2.074 7.932 1.00 0.00 N ATOM 349 CA ASP A 22 6.245 3.045 8.489 1.00 0.00 C ATOM 350 C ASP A 22 6.405 4.145 7.466 1.00 0.00 C ATOM 351 O ASP A 22 6.560 5.311 7.772 1.00 0.00 O ATOM 352 CB ASP A 22 7.554 2.287 8.717 1.00 0.00 C ATOM 353 CG ASP A 22 7.676 1.914 10.195 1.00 0.00 C ATOM 354 OD1 ASP A 22 6.890 1.100 10.649 1.00 0.00 O ATOM 355 OD2 ASP A 22 8.556 2.451 10.851 1.00 0.00 O ATOM 0 H ASP A 22 5.686 1.157 7.713 1.00 0.00 H new ATOM 0 HA ASP A 22 5.918 3.490 9.429 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.578 1.388 8.101 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.401 2.903 8.415 1.00 0.00 H new ATOM 360 N THR A 23 6.311 3.753 6.242 1.00 0.00 N ATOM 361 CA THR A 23 6.388 4.714 5.120 1.00 0.00 C ATOM 362 C THR A 23 5.105 5.535 5.102 1.00 0.00 C ATOM 363 O THR A 23 5.116 6.743 4.976 1.00 0.00 O ATOM 364 CB THR A 23 6.437 3.826 3.892 1.00 0.00 C ATOM 365 OG1 THR A 23 7.629 3.054 3.906 1.00 0.00 O ATOM 366 CG2 THR A 23 6.387 4.686 2.630 1.00 0.00 C ATOM 0 H THR A 23 6.180 2.781 5.960 1.00 0.00 H new ATOM 0 HA THR A 23 7.235 5.398 5.182 1.00 0.00 H new ATOM 0 HB THR A 23 5.578 3.155 3.899 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.582 2.393 4.628 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.422 4.043 1.750 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.463 5.264 2.620 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.240 5.365 2.618 1.00 0.00 H new ATOM 374 N LEU A 24 3.991 4.865 5.243 1.00 0.00 N ATOM 375 CA LEU A 24 2.687 5.571 5.254 1.00 0.00 C ATOM 376 C LEU A 24 2.558 6.329 6.565 1.00 0.00 C ATOM 377 O LEU A 24 1.924 7.363 6.643 1.00 0.00 O ATOM 378 CB LEU A 24 1.637 4.465 5.167 1.00 0.00 C ATOM 379 CG LEU A 24 1.147 4.331 3.725 1.00 0.00 C ATOM 380 CD1 LEU A 24 0.784 2.874 3.444 1.00 0.00 C ATOM 381 CD2 LEU A 24 -0.088 5.211 3.522 1.00 0.00 C ATOM 0 H LEU A 24 3.934 3.852 5.351 1.00 0.00 H new ATOM 0 HA LEU A 24 2.578 6.287 4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.061 3.520 5.506 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.799 4.693 5.826 1.00 0.00 H new ATOM 0 HG LEU A 24 1.936 4.648 3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.435 2.778 2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.663 2.246 3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.005 2.557 4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.438 5.116 2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.877 4.894 4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.169 6.251 3.723 1.00 0.00 H new ATOM 393 N LEU A 25 3.171 5.823 7.600 1.00 0.00 N ATOM 394 CA LEU A 25 3.095 6.527 8.913 1.00 0.00 C ATOM 395 C LEU A 25 4.034 7.714 8.910 1.00 0.00 C ATOM 396 O LEU A 25 3.917 8.627 9.701 1.00 0.00 O ATOM 397 CB LEU A 25 3.514 5.499 9.952 1.00 0.00 C ATOM 398 CG LEU A 25 2.422 4.449 10.043 1.00 0.00 C ATOM 399 CD1 LEU A 25 3.009 3.139 10.567 1.00 0.00 C ATOM 400 CD2 LEU A 25 1.327 4.945 10.988 1.00 0.00 C ATOM 0 H LEU A 25 3.716 4.961 7.595 1.00 0.00 H new ATOM 0 HA LEU A 25 2.096 6.911 9.123 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.462 5.039 9.672 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.665 5.976 10.920 1.00 0.00 H new ATOM 0 HG LEU A 25 1.997 4.275 9.055 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.222 2.388 10.631 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.788 2.792 9.888 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.436 3.302 11.556 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.539 4.195 11.058 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.751 5.119 11.977 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.909 5.876 10.604 1.00 0.00 H new ATOM 412 N GLU A 26 4.927 7.730 7.981 1.00 0.00 N ATOM 413 CA GLU A 26 5.837 8.879 7.853 1.00 0.00 C ATOM 414 C GLU A 26 5.204 9.789 6.839 1.00 0.00 C ATOM 415 O GLU A 26 5.326 10.996 6.873 1.00 0.00 O ATOM 416 CB GLU A 26 7.169 8.307 7.371 1.00 0.00 C ATOM 417 CG GLU A 26 7.847 7.560 8.522 1.00 0.00 C ATOM 418 CD GLU A 26 8.671 8.546 9.351 1.00 0.00 C ATOM 419 OE1 GLU A 26 9.529 9.199 8.780 1.00 0.00 O ATOM 420 OE2 GLU A 26 8.430 8.631 10.544 1.00 0.00 O ATOM 0 H GLU A 26 5.067 6.987 7.296 1.00 0.00 H new ATOM 0 HA GLU A 26 6.008 9.439 8.773 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.005 7.632 6.531 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.814 9.110 7.014 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.097 7.078 9.149 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.489 6.771 8.130 1.00 0.00 H new ATOM 427 N LEU A 27 4.493 9.183 5.941 1.00 0.00 N ATOM 428 CA LEU A 27 3.795 9.952 4.908 1.00 0.00 C ATOM 429 C LEU A 27 2.614 10.678 5.541 1.00 0.00 C ATOM 430 O LEU A 27 2.210 11.734 5.104 1.00 0.00 O ATOM 431 CB LEU A 27 3.320 8.924 3.880 1.00 0.00 C ATOM 432 CG LEU A 27 2.302 9.569 2.937 1.00 0.00 C ATOM 433 CD1 LEU A 27 3.033 10.413 1.892 1.00 0.00 C ATOM 434 CD2 LEU A 27 1.495 8.473 2.238 1.00 0.00 C ATOM 0 H LEU A 27 4.369 8.172 5.885 1.00 0.00 H new ATOM 0 HA LEU A 27 4.430 10.704 4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.169 8.546 3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.871 8.070 4.387 1.00 0.00 H new ATOM 0 HG LEU A 27 1.630 10.209 3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.306 10.871 1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.608 11.193 2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.706 9.777 1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.769 8.929 1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.168 7.834 1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.973 7.874 2.984 1.00 0.00 H new ATOM 446 N GLU A 28 2.067 10.123 6.583 1.00 0.00 N ATOM 447 CA GLU A 28 0.925 10.787 7.257 1.00 0.00 C ATOM 448 C GLU A 28 1.439 12.012 8.002 1.00 0.00 C ATOM 449 O GLU A 28 0.825 13.059 8.006 1.00 0.00 O ATOM 450 CB GLU A 28 0.381 9.732 8.212 1.00 0.00 C ATOM 451 CG GLU A 28 1.117 9.784 9.549 1.00 0.00 C ATOM 452 CD GLU A 28 0.640 8.637 10.442 1.00 0.00 C ATOM 453 OE1 GLU A 28 -0.021 7.748 9.930 1.00 0.00 O ATOM 454 OE2 GLU A 28 0.943 8.665 11.624 1.00 0.00 O ATOM 0 H GLU A 28 2.362 9.238 6.996 1.00 0.00 H new ATOM 0 HA GLU A 28 0.150 11.134 6.574 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.685 9.894 8.371 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.491 8.742 7.769 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.192 9.709 9.387 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.934 10.740 10.039 1.00 0.00 H new ATOM 461 N LYS A 29 2.591 11.894 8.599 1.00 0.00 N ATOM 462 CA LYS A 29 3.173 13.061 9.298 1.00 0.00 C ATOM 463 C LYS A 29 3.786 13.963 8.237 1.00 0.00 C ATOM 464 O LYS A 29 4.097 15.116 8.461 1.00 0.00 O ATOM 465 CB LYS A 29 4.202 12.453 10.256 1.00 0.00 C ATOM 466 CG LYS A 29 5.631 12.891 9.926 1.00 0.00 C ATOM 467 CD LYS A 29 6.562 11.743 10.255 1.00 0.00 C ATOM 468 CE LYS A 29 6.534 11.472 11.758 1.00 0.00 C ATOM 469 NZ LYS A 29 7.869 11.908 12.254 1.00 0.00 N ATOM 0 H LYS A 29 3.150 11.041 8.631 1.00 0.00 H new ATOM 0 HA LYS A 29 2.469 13.674 9.861 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.961 12.746 11.278 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.138 11.366 10.212 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.714 13.158 8.873 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.900 13.777 10.502 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.260 10.849 9.709 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.577 11.983 9.938 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.732 12.027 12.244 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.362 10.416 11.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.926 11.752 13.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.613 11.358 11.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.002 12.919 12.049 1.00 0.00 H new ATOM 483 N ASN A 30 3.932 13.417 7.069 1.00 0.00 N ATOM 484 CA ASN A 30 4.498 14.189 5.930 1.00 0.00 C ATOM 485 C ASN A 30 3.947 13.607 4.646 1.00 0.00 C ATOM 486 O ASN A 30 4.593 12.845 3.954 1.00 0.00 O ATOM 487 CB ASN A 30 6.015 14.036 6.019 1.00 0.00 C ATOM 488 CG ASN A 30 6.573 15.037 7.033 1.00 0.00 C ATOM 489 OD1 ASN A 30 6.158 16.274 7.005 1.00 0.00 O flip ATOM 490 ND2 ASN A 30 7.393 14.690 7.858 1.00 0.00 N flip ATOM 0 H ASN A 30 3.680 12.453 6.849 1.00 0.00 H new ATOM 0 HA ASN A 30 4.236 15.247 5.956 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.271 13.019 6.317 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.466 14.204 5.041 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.717 13.723 7.880 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.758 15.365 8.530 1.00 0.00 H new ATOM 497 N PRO A 31 2.732 13.979 4.414 1.00 0.00 N ATOM 498 CA PRO A 31 1.987 13.496 3.247 1.00 0.00 C ATOM 499 C PRO A 31 2.266 14.354 2.013 1.00 0.00 C ATOM 500 O PRO A 31 1.510 14.352 1.061 1.00 0.00 O ATOM 501 CB PRO A 31 0.549 13.648 3.702 1.00 0.00 C ATOM 502 CG PRO A 31 0.539 14.734 4.730 1.00 0.00 C ATOM 503 CD PRO A 31 1.937 14.888 5.243 1.00 0.00 C ATOM 0 HA PRO A 31 2.251 12.481 2.951 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.098 13.903 2.863 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.174 12.714 4.121 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.186 15.669 4.295 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.142 14.484 5.544 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.284 15.917 5.149 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.004 14.624 6.298 1.00 0.00 H new ATOM 511 N GLU A 32 3.337 15.089 2.022 1.00 0.00 N ATOM 512 CA GLU A 32 3.656 15.950 0.845 1.00 0.00 C ATOM 513 C GLU A 32 5.161 15.931 0.585 1.00 0.00 C ATOM 514 O GLU A 32 5.662 16.625 -0.278 1.00 0.00 O ATOM 515 CB GLU A 32 3.191 17.372 1.209 1.00 0.00 C ATOM 516 CG GLU A 32 2.591 17.400 2.621 1.00 0.00 C ATOM 517 CD GLU A 32 2.454 18.848 3.095 1.00 0.00 C ATOM 518 OE1 GLU A 32 3.455 19.415 3.500 1.00 0.00 O ATOM 519 OE2 GLU A 32 1.350 19.364 3.047 1.00 0.00 O ATOM 0 H GLU A 32 4.007 15.134 2.789 1.00 0.00 H new ATOM 0 HA GLU A 32 3.159 15.597 -0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.033 18.061 1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.450 17.714 0.486 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.616 16.913 2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.227 16.841 3.308 1.00 0.00 H new ATOM 526 N ASP A 33 5.883 15.132 1.320 1.00 0.00 N ATOM 527 CA ASP A 33 7.355 15.058 1.115 1.00 0.00 C ATOM 528 C ASP A 33 7.657 14.551 -0.290 1.00 0.00 C ATOM 529 O ASP A 33 8.754 14.676 -0.795 1.00 0.00 O ATOM 530 CB ASP A 33 7.858 14.066 2.165 1.00 0.00 C ATOM 531 CG ASP A 33 9.272 14.453 2.599 1.00 0.00 C ATOM 532 OD1 ASP A 33 9.486 15.621 2.879 1.00 0.00 O ATOM 533 OD2 ASP A 33 10.118 13.575 2.644 1.00 0.00 O ATOM 0 H ASP A 33 5.516 14.527 2.054 1.00 0.00 H new ATOM 0 HA ASP A 33 7.837 16.030 1.217 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.190 14.063 3.026 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.856 13.056 1.756 1.00 0.00 H new ATOM 538 N MET A 34 6.678 13.969 -0.911 1.00 0.00 N ATOM 539 CA MET A 34 6.852 13.424 -2.282 1.00 0.00 C ATOM 540 C MET A 34 7.939 12.357 -2.283 1.00 0.00 C ATOM 541 O MET A 34 8.361 11.884 -3.319 1.00 0.00 O ATOM 542 CB MET A 34 7.247 14.619 -3.147 1.00 0.00 C ATOM 543 CG MET A 34 6.097 15.626 -3.182 1.00 0.00 C ATOM 544 SD MET A 34 5.680 16.006 -4.901 1.00 0.00 S ATOM 545 CE MET A 34 4.352 14.791 -5.083 1.00 0.00 C ATOM 0 H MET A 34 5.744 13.845 -0.520 1.00 0.00 H new ATOM 0 HA MET A 34 5.946 12.949 -2.659 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.145 15.090 -2.747 1.00 0.00 H new ATOM 0 HB3 MET A 34 7.485 14.287 -4.158 1.00 0.00 H new ATOM 0 HG2 MET A 34 5.227 15.219 -2.667 1.00 0.00 H new ATOM 0 HG3 MET A 34 6.381 16.537 -2.656 1.00 0.00 H new ATOM 0 HE1 MET A 34 3.940 14.850 -6.091 1.00 0.00 H new ATOM 0 HE2 MET A 34 4.748 13.790 -4.911 1.00 0.00 H new ATOM 0 HE3 MET A 34 3.566 15.000 -4.357 1.00 0.00 H new ATOM 555 N GLU A 35 8.366 11.943 -1.127 1.00 0.00 N ATOM 556 CA GLU A 35 9.385 10.877 -1.061 1.00 0.00 C ATOM 557 C GLU A 35 8.696 9.635 -0.517 1.00 0.00 C ATOM 558 O GLU A 35 8.947 8.527 -0.947 1.00 0.00 O ATOM 559 CB GLU A 35 10.496 11.414 -0.137 1.00 0.00 C ATOM 560 CG GLU A 35 10.494 10.691 1.216 1.00 0.00 C ATOM 561 CD GLU A 35 11.491 11.369 2.158 1.00 0.00 C ATOM 562 OE1 GLU A 35 12.111 12.332 1.737 1.00 0.00 O ATOM 563 OE2 GLU A 35 11.617 10.915 3.283 1.00 0.00 O ATOM 0 H GLU A 35 8.050 12.300 -0.226 1.00 0.00 H new ATOM 0 HA GLU A 35 9.829 10.610 -2.020 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.466 11.286 -0.618 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.356 12.484 0.020 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.495 10.712 1.650 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.760 9.643 1.081 1.00 0.00 H new ATOM 570 N LEU A 36 7.779 9.826 0.390 1.00 0.00 N ATOM 571 CA LEU A 36 7.022 8.662 0.912 1.00 0.00 C ATOM 572 C LEU A 36 5.975 8.301 -0.127 1.00 0.00 C ATOM 573 O LEU A 36 5.559 7.165 -0.250 1.00 0.00 O ATOM 574 CB LEU A 36 6.351 9.129 2.205 1.00 0.00 C ATOM 575 CG LEU A 36 7.399 9.702 3.153 1.00 0.00 C ATOM 576 CD1 LEU A 36 7.046 11.150 3.498 1.00 0.00 C ATOM 577 CD2 LEU A 36 7.433 8.867 4.432 1.00 0.00 C ATOM 0 H LEU A 36 7.525 10.730 0.788 1.00 0.00 H new ATOM 0 HA LEU A 36 7.651 7.794 1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.597 9.884 1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.835 8.294 2.680 1.00 0.00 H new ATOM 0 HG LEU A 36 8.377 9.676 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.797 11.556 4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.021 11.746 2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.068 11.181 3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.181 9.274 5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.454 8.895 4.911 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.688 7.836 4.187 1.00 0.00 H new ATOM 589 N ILE A 37 5.559 9.270 -0.897 1.00 0.00 N ATOM 590 CA ILE A 37 4.556 8.991 -1.950 1.00 0.00 C ATOM 591 C ILE A 37 5.216 8.181 -3.063 1.00 0.00 C ATOM 592 O ILE A 37 4.567 7.441 -3.775 1.00 0.00 O ATOM 593 CB ILE A 37 4.124 10.364 -2.459 1.00 0.00 C ATOM 594 CG1 ILE A 37 3.247 11.042 -1.404 1.00 0.00 C ATOM 595 CG2 ILE A 37 3.327 10.201 -3.753 1.00 0.00 C ATOM 596 CD1 ILE A 37 3.019 12.503 -1.792 1.00 0.00 C ATOM 0 H ILE A 37 5.873 10.239 -0.838 1.00 0.00 H new ATOM 0 HA ILE A 37 3.703 8.416 -1.588 1.00 0.00 H new ATOM 0 HB ILE A 37 5.006 10.976 -2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.292 10.523 -1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.726 10.985 -0.426 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.019 11.181 -4.116 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.949 9.715 -4.505 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.444 9.591 -3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.394 12.986 -1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.978 13.018 -1.852 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.522 12.549 -2.761 1.00 0.00 H new ATOM 608 N ASN A 38 6.510 8.312 -3.219 1.00 0.00 N ATOM 609 CA ASN A 38 7.198 7.540 -4.289 1.00 0.00 C ATOM 610 C ASN A 38 7.682 6.200 -3.757 1.00 0.00 C ATOM 611 O ASN A 38 7.575 5.183 -4.414 1.00 0.00 O ATOM 612 CB ASN A 38 8.378 8.410 -4.730 1.00 0.00 C ATOM 613 CG ASN A 38 8.021 9.136 -6.027 1.00 0.00 C ATOM 614 OD1 ASN A 38 6.860 9.300 -6.345 1.00 0.00 O ATOM 615 ND2 ASN A 38 8.977 9.581 -6.796 1.00 0.00 N ATOM 0 H ASN A 38 7.111 8.914 -2.656 1.00 0.00 H new ATOM 0 HA ASN A 38 6.530 7.320 -5.122 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.621 9.133 -3.951 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.263 7.792 -4.879 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.749 10.066 -7.664 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.952 9.443 -6.529 1.00 0.00 H new ATOM 622 N GLU A 39 8.195 6.185 -2.572 1.00 0.00 N ATOM 623 CA GLU A 39 8.665 4.894 -1.997 1.00 0.00 C ATOM 624 C GLU A 39 7.453 4.047 -1.632 1.00 0.00 C ATOM 625 O GLU A 39 7.531 2.843 -1.479 1.00 0.00 O ATOM 626 CB GLU A 39 9.488 5.264 -0.757 1.00 0.00 C ATOM 627 CG GLU A 39 8.556 5.578 0.414 1.00 0.00 C ATOM 628 CD GLU A 39 9.369 6.172 1.569 1.00 0.00 C ATOM 629 OE1 GLU A 39 10.585 6.076 1.523 1.00 0.00 O ATOM 630 OE2 GLU A 39 8.763 6.709 2.482 1.00 0.00 O ATOM 0 H GLU A 39 8.313 7.002 -1.973 1.00 0.00 H new ATOM 0 HA GLU A 39 9.270 4.313 -2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.153 4.442 -0.493 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.118 6.127 -0.973 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.784 6.280 0.100 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.048 4.671 0.742 1.00 0.00 H new ATOM 637 N ALA A 40 6.328 4.684 -1.515 1.00 0.00 N ATOM 638 CA ALA A 40 5.077 3.955 -1.180 1.00 0.00 C ATOM 639 C ALA A 40 4.380 3.513 -2.469 1.00 0.00 C ATOM 640 O ALA A 40 3.977 2.375 -2.604 1.00 0.00 O ATOM 641 CB ALA A 40 4.226 4.964 -0.413 1.00 0.00 C ATOM 0 H ALA A 40 6.219 5.691 -1.638 1.00 0.00 H new ATOM 0 HA ALA A 40 5.255 3.056 -0.591 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.281 4.501 -0.128 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.758 5.282 0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.030 5.830 -1.045 1.00 0.00 H new ATOM 647 N PHE A 41 4.242 4.396 -3.427 1.00 0.00 N ATOM 648 CA PHE A 41 3.580 3.995 -4.700 1.00 0.00 C ATOM 649 C PHE A 41 4.258 2.736 -5.254 1.00 0.00 C ATOM 650 O PHE A 41 3.625 1.889 -5.854 1.00 0.00 O ATOM 651 CB PHE A 41 3.781 5.184 -5.644 1.00 0.00 C ATOM 652 CG PHE A 41 3.601 4.734 -7.074 1.00 0.00 C ATOM 653 CD1 PHE A 41 4.667 4.135 -7.757 1.00 0.00 C ATOM 654 CD2 PHE A 41 2.370 4.911 -7.714 1.00 0.00 C ATOM 655 CE1 PHE A 41 4.501 3.713 -9.080 1.00 0.00 C ATOM 656 CE2 PHE A 41 2.203 4.489 -9.038 1.00 0.00 C ATOM 657 CZ PHE A 41 3.269 3.890 -9.722 1.00 0.00 C ATOM 0 H PHE A 41 4.556 5.365 -3.382 1.00 0.00 H new ATOM 0 HA PHE A 41 2.523 3.762 -4.572 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.067 5.973 -5.408 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.777 5.605 -5.508 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.617 3.999 -7.262 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.549 5.373 -7.187 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.323 3.251 -9.607 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.252 4.625 -9.532 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.141 3.565 -10.744 1.00 0.00 H new ATOM 667 N ARG A 42 5.543 2.608 -5.054 1.00 0.00 N ATOM 668 CA ARG A 42 6.268 1.409 -5.564 1.00 0.00 C ATOM 669 C ARG A 42 5.971 0.191 -4.684 1.00 0.00 C ATOM 670 O ARG A 42 5.394 -0.782 -5.129 1.00 0.00 O ATOM 671 CB ARG A 42 7.749 1.776 -5.478 1.00 0.00 C ATOM 672 CG ARG A 42 8.088 2.818 -6.546 1.00 0.00 C ATOM 673 CD ARG A 42 9.551 3.237 -6.395 1.00 0.00 C ATOM 674 NE ARG A 42 9.777 4.244 -7.468 1.00 0.00 N ATOM 675 CZ ARG A 42 10.029 3.854 -8.688 1.00 0.00 C ATOM 676 NH1 ARG A 42 11.215 3.403 -8.997 1.00 0.00 N ATOM 677 NH2 ARG A 42 9.096 3.914 -9.598 1.00 0.00 N ATOM 0 H ARG A 42 6.123 3.285 -4.558 1.00 0.00 H new ATOM 0 HA ARG A 42 5.967 1.149 -6.579 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.979 2.169 -4.488 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.362 0.886 -5.618 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.916 2.406 -7.540 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.437 3.686 -6.444 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.740 3.662 -5.409 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.220 2.383 -6.508 1.00 0.00 H new ATOM 0 HE ARG A 42 9.735 5.239 -7.250 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.944 3.356 -8.285 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.412 3.098 -9.950 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.170 4.266 -9.356 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.293 3.609 -10.551 1.00 0.00 H new ATOM 691 N ALA A 43 6.366 0.238 -3.439 1.00 0.00 N ATOM 692 CA ALA A 43 6.111 -0.916 -2.528 1.00 0.00 C ATOM 693 C ALA A 43 4.713 -1.482 -2.764 1.00 0.00 C ATOM 694 O ALA A 43 4.538 -2.673 -2.915 1.00 0.00 O ATOM 695 CB ALA A 43 6.230 -0.343 -1.114 1.00 0.00 C ATOM 0 H ALA A 43 6.854 1.026 -3.014 1.00 0.00 H new ATOM 0 HA ALA A 43 6.813 -1.733 -2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.055 -1.134 -0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.229 0.068 -0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.491 0.446 -0.978 1.00 0.00 H new ATOM 701 N LEU A 44 3.718 -0.642 -2.805 1.00 0.00 N ATOM 702 CA LEU A 44 2.338 -1.144 -3.038 1.00 0.00 C ATOM 703 C LEU A 44 2.265 -1.837 -4.399 1.00 0.00 C ATOM 704 O LEU A 44 1.653 -2.876 -4.546 1.00 0.00 O ATOM 705 CB LEU A 44 1.455 0.099 -3.015 1.00 0.00 C ATOM 706 CG LEU A 44 1.302 0.590 -1.578 1.00 0.00 C ATOM 707 CD1 LEU A 44 0.859 2.053 -1.586 1.00 0.00 C ATOM 708 CD2 LEU A 44 0.250 -0.257 -0.861 1.00 0.00 C ATOM 0 H LEU A 44 3.801 0.368 -2.687 1.00 0.00 H new ATOM 0 HA LEU A 44 2.024 -1.872 -2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.895 0.882 -3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.477 -0.129 -3.438 1.00 0.00 H new ATOM 0 HG LEU A 44 2.256 0.501 -1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.749 2.406 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.607 2.657 -2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.096 2.141 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.140 0.092 0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.705 -0.167 -1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.564 -1.301 -0.857 1.00 0.00 H new ATOM 720 N HIS A 45 2.903 -1.278 -5.390 1.00 0.00 N ATOM 721 CA HIS A 45 2.889 -1.914 -6.733 1.00 0.00 C ATOM 722 C HIS A 45 3.640 -3.242 -6.655 1.00 0.00 C ATOM 723 O HIS A 45 3.308 -4.203 -7.320 1.00 0.00 O ATOM 724 CB HIS A 45 3.622 -0.930 -7.642 1.00 0.00 C ATOM 725 CG HIS A 45 2.699 -0.469 -8.736 1.00 0.00 C ATOM 726 ND1 HIS A 45 3.161 0.190 -9.864 1.00 0.00 N ATOM 727 CD2 HIS A 45 1.338 -0.569 -8.891 1.00 0.00 C ATOM 728 CE1 HIS A 45 2.096 0.461 -10.641 1.00 0.00 C ATOM 729 NE2 HIS A 45 0.959 0.020 -10.094 1.00 0.00 N ATOM 0 H HIS A 45 3.433 -0.409 -5.326 1.00 0.00 H new ATOM 0 HA HIS A 45 1.884 -2.122 -7.101 1.00 0.00 H new ATOM 0 HB2 HIS A 45 3.971 -0.075 -7.063 1.00 0.00 H new ATOM 0 HB3 HIS A 45 4.504 -1.405 -8.072 1.00 0.00 H new ATOM 0 HD2 HIS A 45 0.664 -1.034 -8.187 1.00 0.00 H new ATOM 0 HE1 HIS A 45 2.153 0.972 -11.591 1.00 0.00 H new ATOM 0 HE2 HIS A 45 0.016 0.098 -10.476 1.00 0.00 H new ATOM 737 N THR A 46 4.645 -3.297 -5.824 1.00 0.00 N ATOM 738 CA THR A 46 5.419 -4.554 -5.666 1.00 0.00 C ATOM 739 C THR A 46 4.665 -5.473 -4.699 1.00 0.00 C ATOM 740 O THR A 46 4.741 -6.682 -4.777 1.00 0.00 O ATOM 741 CB THR A 46 6.783 -4.101 -5.103 1.00 0.00 C ATOM 742 OG1 THR A 46 7.791 -4.352 -6.071 1.00 0.00 O ATOM 743 CG2 THR A 46 7.132 -4.853 -3.810 1.00 0.00 C ATOM 0 H THR A 46 4.962 -2.519 -5.246 1.00 0.00 H new ATOM 0 HA THR A 46 5.554 -5.116 -6.590 1.00 0.00 H new ATOM 0 HB THR A 46 6.724 -3.037 -4.876 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.660 -4.065 -5.720 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.098 -4.511 -3.440 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.366 -4.660 -3.059 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.180 -5.923 -4.013 1.00 0.00 H new ATOM 751 N LEU A 47 3.935 -4.890 -3.791 1.00 0.00 N ATOM 752 CA LEU A 47 3.162 -5.697 -2.813 1.00 0.00 C ATOM 753 C LEU A 47 1.888 -6.236 -3.472 1.00 0.00 C ATOM 754 O LEU A 47 1.517 -7.379 -3.287 1.00 0.00 O ATOM 755 CB LEU A 47 2.825 -4.712 -1.694 1.00 0.00 C ATOM 756 CG LEU A 47 3.762 -4.947 -0.511 1.00 0.00 C ATOM 757 CD1 LEU A 47 3.662 -3.767 0.459 1.00 0.00 C ATOM 758 CD2 LEU A 47 3.358 -6.235 0.207 1.00 0.00 C ATOM 0 H LEU A 47 3.841 -3.880 -3.685 1.00 0.00 H new ATOM 0 HA LEU A 47 3.712 -6.563 -2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.925 -3.688 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.788 -4.840 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 47 4.788 -5.037 -0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.330 -3.933 1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.947 -2.849 -0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.637 -3.678 0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.025 -6.405 1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.333 -6.145 0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.427 -7.074 -0.485 1.00 0.00 H new ATOM 770 N LYS A 48 1.221 -5.425 -4.249 1.00 0.00 N ATOM 771 CA LYS A 48 -0.020 -5.896 -4.927 1.00 0.00 C ATOM 772 C LYS A 48 0.343 -6.846 -6.074 1.00 0.00 C ATOM 773 O LYS A 48 -0.465 -7.637 -6.520 1.00 0.00 O ATOM 774 CB LYS A 48 -0.694 -4.627 -5.457 1.00 0.00 C ATOM 775 CG LYS A 48 0.088 -4.081 -6.655 1.00 0.00 C ATOM 776 CD LYS A 48 -0.799 -4.125 -7.901 1.00 0.00 C ATOM 777 CE LYS A 48 -0.373 -5.292 -8.794 1.00 0.00 C ATOM 778 NZ LYS A 48 0.391 -4.667 -9.910 1.00 0.00 N ATOM 0 H LYS A 48 1.482 -4.458 -4.443 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.680 -6.446 -4.256 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.720 -4.846 -5.751 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.742 -3.875 -4.670 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.409 -3.058 -6.459 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.990 -4.672 -6.815 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.844 -4.238 -7.612 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.720 -3.186 -8.450 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.243 -6.004 -8.245 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.239 -5.840 -9.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.844 -5.410 -10.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.257 -4.118 -10.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.120 -4.036 -9.521 1.00 0.00 H new ATOM 792 N GLY A 49 1.555 -6.778 -6.552 1.00 0.00 N ATOM 793 CA GLY A 49 1.968 -7.679 -7.666 1.00 0.00 C ATOM 794 C GLY A 49 2.473 -9.000 -7.088 1.00 0.00 C ATOM 795 O GLY A 49 2.430 -10.029 -7.733 1.00 0.00 O ATOM 0 H GLY A 49 2.277 -6.138 -6.220 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.126 -7.860 -8.334 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.750 -7.206 -8.260 1.00 0.00 H new ATOM 799 N MET A 50 2.949 -8.983 -5.874 1.00 0.00 N ATOM 800 CA MET A 50 3.454 -10.239 -5.252 1.00 0.00 C ATOM 801 C MET A 50 2.280 -11.126 -4.832 1.00 0.00 C ATOM 802 O MET A 50 2.375 -12.338 -4.826 1.00 0.00 O ATOM 803 CB MET A 50 4.248 -9.783 -4.028 1.00 0.00 C ATOM 804 CG MET A 50 5.738 -9.750 -4.370 1.00 0.00 C ATOM 805 SD MET A 50 6.706 -10.164 -2.900 1.00 0.00 S ATOM 806 CE MET A 50 5.762 -9.167 -1.717 1.00 0.00 C ATOM 0 H MET A 50 3.010 -8.152 -5.285 1.00 0.00 H new ATOM 0 HA MET A 50 4.066 -10.825 -5.938 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.914 -8.794 -3.713 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.071 -10.461 -3.193 1.00 0.00 H new ATOM 0 HG2 MET A 50 5.953 -10.457 -5.171 1.00 0.00 H new ATOM 0 HG3 MET A 50 6.016 -8.761 -4.735 1.00 0.00 H new ATOM 0 HE1 MET A 50 6.387 -8.938 -0.854 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.447 -8.238 -2.193 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.883 -9.724 -1.391 1.00 0.00 H new ATOM 816 N ALA A 51 1.174 -10.529 -4.482 1.00 0.00 N ATOM 817 CA ALA A 51 -0.010 -11.334 -4.065 1.00 0.00 C ATOM 818 C ALA A 51 -0.884 -11.650 -5.280 1.00 0.00 C ATOM 819 O ALA A 51 -1.665 -12.581 -5.269 1.00 0.00 O ATOM 820 CB ALA A 51 -0.763 -10.441 -3.082 1.00 0.00 C ATOM 0 H ALA A 51 1.038 -9.518 -4.467 1.00 0.00 H new ATOM 0 HA ALA A 51 0.271 -12.288 -3.618 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.652 -10.961 -2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.117 -10.205 -2.236 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.058 -9.518 -3.581 1.00 0.00 H new ATOM 826 N GLY A 52 -0.757 -10.883 -6.327 1.00 0.00 N ATOM 827 CA GLY A 52 -1.576 -11.139 -7.541 1.00 0.00 C ATOM 828 C GLY A 52 -0.967 -12.307 -8.314 1.00 0.00 C ATOM 829 O GLY A 52 -1.663 -13.096 -8.923 1.00 0.00 O ATOM 0 H GLY A 52 -0.120 -10.089 -6.393 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.604 -11.368 -7.260 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.608 -10.248 -8.168 1.00 0.00 H new ATOM 833 N THR A 53 0.330 -12.426 -8.284 1.00 0.00 N ATOM 834 CA THR A 53 0.998 -13.544 -9.004 1.00 0.00 C ATOM 835 C THR A 53 0.851 -14.833 -8.194 1.00 0.00 C ATOM 836 O THR A 53 1.030 -15.926 -8.694 1.00 0.00 O ATOM 837 CB THR A 53 2.463 -13.099 -9.123 1.00 0.00 C ATOM 838 OG1 THR A 53 2.677 -12.542 -10.412 1.00 0.00 O ATOM 839 CG2 THR A 53 3.411 -14.285 -8.914 1.00 0.00 C ATOM 0 H THR A 53 0.959 -11.794 -7.789 1.00 0.00 H new ATOM 0 HA THR A 53 0.570 -13.752 -9.985 1.00 0.00 H new ATOM 0 HB THR A 53 2.668 -12.354 -8.354 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.610 -12.254 -10.493 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.443 -13.946 -9.003 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.252 -14.707 -7.922 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.213 -15.046 -9.669 1.00 0.00 H new ATOM 847 N MET A 54 0.520 -14.700 -6.949 1.00 0.00 N ATOM 848 CA MET A 54 0.345 -15.902 -6.084 1.00 0.00 C ATOM 849 C MET A 54 -1.112 -16.361 -6.117 1.00 0.00 C ATOM 850 O MET A 54 -1.506 -17.265 -5.409 1.00 0.00 O ATOM 851 CB MET A 54 0.742 -15.449 -4.681 1.00 0.00 C ATOM 852 CG MET A 54 0.847 -16.670 -3.761 1.00 0.00 C ATOM 853 SD MET A 54 1.215 -16.127 -2.075 1.00 0.00 S ATOM 854 CE MET A 54 2.427 -14.855 -2.506 1.00 0.00 C ATOM 0 H MET A 54 0.360 -13.806 -6.484 1.00 0.00 H new ATOM 0 HA MET A 54 0.950 -16.745 -6.417 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.695 -14.922 -4.714 1.00 0.00 H new ATOM 0 HB3 MET A 54 0.004 -14.749 -4.291 1.00 0.00 H new ATOM 0 HG2 MET A 54 -0.087 -17.232 -3.777 1.00 0.00 H new ATOM 0 HG3 MET A 54 1.629 -17.341 -4.117 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.961 -14.542 -1.609 1.00 0.00 H new ATOM 0 HE2 MET A 54 3.137 -15.259 -3.228 1.00 0.00 H new ATOM 0 HE3 MET A 54 1.915 -13.997 -2.941 1.00 0.00 H new ATOM 864 N GLY A 55 -1.910 -15.741 -6.937 1.00 0.00 N ATOM 865 CA GLY A 55 -3.343 -16.135 -7.027 1.00 0.00 C ATOM 866 C GLY A 55 -4.161 -15.313 -6.033 1.00 0.00 C ATOM 867 O GLY A 55 -5.375 -15.305 -6.071 1.00 0.00 O ATOM 0 H GLY A 55 -1.632 -14.976 -7.551 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.713 -15.974 -8.040 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.453 -17.198 -6.813 1.00 0.00 H new ATOM 871 N PHE A 56 -3.507 -14.616 -5.143 1.00 0.00 N ATOM 872 CA PHE A 56 -4.253 -13.795 -4.149 1.00 0.00 C ATOM 873 C PHE A 56 -4.296 -12.333 -4.601 1.00 0.00 C ATOM 874 O PHE A 56 -4.060 -11.428 -3.825 1.00 0.00 O ATOM 875 CB PHE A 56 -3.459 -13.930 -2.850 1.00 0.00 C ATOM 876 CG PHE A 56 -3.332 -15.390 -2.488 1.00 0.00 C ATOM 877 CD1 PHE A 56 -4.390 -16.269 -2.746 1.00 0.00 C ATOM 878 CD2 PHE A 56 -2.156 -15.865 -1.895 1.00 0.00 C ATOM 879 CE1 PHE A 56 -4.274 -17.623 -2.408 1.00 0.00 C ATOM 880 CE2 PHE A 56 -2.039 -17.219 -1.557 1.00 0.00 C ATOM 881 CZ PHE A 56 -3.098 -18.098 -1.815 1.00 0.00 C ATOM 0 H PHE A 56 -2.491 -14.580 -5.062 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.286 -14.123 -4.032 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.470 -13.486 -2.968 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.959 -13.387 -2.048 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.296 -15.903 -3.206 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.339 -15.187 -1.698 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.092 -18.301 -2.605 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.133 -17.585 -1.098 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.008 -19.143 -1.556 1.00 0.00 H new ATOM 891 N SER A 57 -4.595 -12.094 -5.849 1.00 0.00 N ATOM 892 CA SER A 57 -4.650 -10.688 -6.338 1.00 0.00 C ATOM 893 C SER A 57 -5.763 -9.936 -5.627 1.00 0.00 C ATOM 894 O SER A 57 -5.783 -8.724 -5.580 1.00 0.00 O ATOM 895 CB SER A 57 -4.939 -10.778 -7.831 1.00 0.00 C ATOM 896 OG SER A 57 -4.820 -12.128 -8.259 1.00 0.00 O ATOM 0 H SER A 57 -4.802 -12.808 -6.547 1.00 0.00 H new ATOM 0 HA SER A 57 -3.720 -10.154 -6.145 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.942 -10.407 -8.041 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.243 -10.148 -8.385 1.00 0.00 H new ATOM 0 HG SER A 57 -5.008 -12.185 -9.219 1.00 0.00 H new ATOM 902 N SER A 58 -6.671 -10.653 -5.051 1.00 0.00 N ATOM 903 CA SER A 58 -7.772 -9.988 -4.310 1.00 0.00 C ATOM 904 C SER A 58 -7.147 -9.234 -3.151 1.00 0.00 C ATOM 905 O SER A 58 -7.510 -8.118 -2.838 1.00 0.00 O ATOM 906 CB SER A 58 -8.655 -11.120 -3.801 1.00 0.00 C ATOM 907 OG SER A 58 -9.122 -11.885 -4.905 1.00 0.00 O ATOM 0 H SER A 58 -6.703 -11.672 -5.058 1.00 0.00 H new ATOM 0 HA SER A 58 -8.350 -9.288 -4.913 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.093 -11.755 -3.116 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.498 -10.715 -3.242 1.00 0.00 H new ATOM 0 HG SER A 58 -9.689 -12.615 -4.580 1.00 0.00 H new ATOM 913 N MET A 59 -6.176 -9.842 -2.537 1.00 0.00 N ATOM 914 CA MET A 59 -5.470 -9.183 -1.419 1.00 0.00 C ATOM 915 C MET A 59 -4.547 -8.114 -2.001 1.00 0.00 C ATOM 916 O MET A 59 -4.350 -7.057 -1.429 1.00 0.00 O ATOM 917 CB MET A 59 -4.667 -10.303 -0.750 1.00 0.00 C ATOM 918 CG MET A 59 -4.035 -9.782 0.541 1.00 0.00 C ATOM 919 SD MET A 59 -2.235 -9.911 0.427 1.00 0.00 S ATOM 920 CE MET A 59 -2.042 -8.957 -1.096 1.00 0.00 C ATOM 0 H MET A 59 -5.841 -10.777 -2.767 1.00 0.00 H new ATOM 0 HA MET A 59 -6.133 -8.696 -0.704 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.318 -11.150 -0.532 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.892 -10.662 -1.427 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.326 -8.745 0.708 1.00 0.00 H new ATOM 0 HG3 MET A 59 -4.398 -10.356 1.393 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.982 -8.860 -1.333 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.551 -9.469 -1.913 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.476 -7.966 -0.962 1.00 0.00 H new ATOM 930 N ALA A 60 -3.996 -8.375 -3.158 1.00 0.00 N ATOM 931 CA ALA A 60 -3.104 -7.372 -3.792 1.00 0.00 C ATOM 932 C ALA A 60 -3.958 -6.254 -4.377 1.00 0.00 C ATOM 933 O ALA A 60 -3.518 -5.131 -4.526 1.00 0.00 O ATOM 934 CB ALA A 60 -2.367 -8.132 -4.891 1.00 0.00 C ATOM 0 H ALA A 60 -4.127 -9.238 -3.686 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.403 -6.917 -3.092 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.686 -7.455 -5.407 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.799 -8.951 -4.449 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.089 -8.533 -5.603 1.00 0.00 H new ATOM 940 N LYS A 61 -5.192 -6.548 -4.680 1.00 0.00 N ATOM 941 CA LYS A 61 -6.087 -5.507 -5.215 1.00 0.00 C ATOM 942 C LYS A 61 -6.087 -4.361 -4.230 1.00 0.00 C ATOM 943 O LYS A 61 -5.963 -3.205 -4.582 1.00 0.00 O ATOM 944 CB LYS A 61 -7.457 -6.179 -5.272 1.00 0.00 C ATOM 945 CG LYS A 61 -7.907 -6.269 -6.718 1.00 0.00 C ATOM 946 CD LYS A 61 -7.987 -4.860 -7.286 1.00 0.00 C ATOM 947 CE LYS A 61 -6.795 -4.618 -8.205 1.00 0.00 C ATOM 948 NZ LYS A 61 -7.381 -4.460 -9.564 1.00 0.00 N ATOM 0 H LYS A 61 -5.613 -7.471 -4.576 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.798 -5.119 -6.192 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.406 -7.175 -4.832 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.180 -5.609 -4.688 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.206 -6.871 -7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.878 -6.760 -6.783 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.918 -4.730 -7.838 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.991 -4.129 -6.477 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.242 -3.727 -7.908 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.095 -5.453 -8.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.620 -4.290 -10.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.895 -5.326 -9.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.038 -3.653 -9.567 1.00 0.00 H new ATOM 962 N LEU A 62 -6.188 -4.697 -2.985 1.00 0.00 N ATOM 963 CA LEU A 62 -6.157 -3.664 -1.935 1.00 0.00 C ATOM 964 C LEU A 62 -4.802 -2.971 -1.993 1.00 0.00 C ATOM 965 O LEU A 62 -4.692 -1.774 -1.826 1.00 0.00 O ATOM 966 CB LEU A 62 -6.308 -4.431 -0.624 1.00 0.00 C ATOM 967 CG LEU A 62 -7.694 -5.071 -0.564 1.00 0.00 C ATOM 968 CD1 LEU A 62 -7.745 -6.070 0.592 1.00 0.00 C ATOM 969 CD2 LEU A 62 -8.748 -3.984 -0.344 1.00 0.00 C ATOM 0 H LEU A 62 -6.292 -5.654 -2.648 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.934 -2.908 -2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.538 -5.199 -0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.170 -3.757 0.222 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.895 -5.589 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.734 -6.527 0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.994 -6.845 0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.544 -5.552 1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.737 -4.440 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.546 -3.466 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.713 -3.271 -1.168 1.00 0.00 H new ATOM 981 N CYS A 63 -3.766 -3.726 -2.247 1.00 0.00 N ATOM 982 CA CYS A 63 -2.410 -3.122 -2.330 1.00 0.00 C ATOM 983 C CYS A 63 -2.320 -2.229 -3.564 1.00 0.00 C ATOM 984 O CYS A 63 -1.608 -1.244 -3.581 1.00 0.00 O ATOM 985 CB CYS A 63 -1.448 -4.305 -2.443 1.00 0.00 C ATOM 986 SG CYS A 63 -1.409 -5.202 -0.871 1.00 0.00 S ATOM 0 H CYS A 63 -3.803 -4.734 -2.400 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.176 -2.500 -1.466 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.765 -4.970 -3.246 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.449 -3.952 -2.698 1.00 0.00 H new ATOM 0 HG CYS A 63 -0.593 -6.210 -0.966 1.00 0.00 H new ATOM 992 N HIS A 64 -3.054 -2.554 -4.593 1.00 0.00 N ATOM 993 CA HIS A 64 -3.025 -1.710 -5.817 1.00 0.00 C ATOM 994 C HIS A 64 -3.889 -0.475 -5.587 1.00 0.00 C ATOM 995 O HIS A 64 -3.636 0.588 -6.120 1.00 0.00 O ATOM 996 CB HIS A 64 -3.611 -2.584 -6.924 1.00 0.00 C ATOM 997 CG HIS A 64 -2.975 -2.216 -8.236 1.00 0.00 C ATOM 998 ND1 HIS A 64 -3.017 -3.054 -9.338 1.00 0.00 N ATOM 999 CD2 HIS A 64 -2.276 -1.104 -8.635 1.00 0.00 C ATOM 1000 CE1 HIS A 64 -2.362 -2.439 -10.340 1.00 0.00 C ATOM 1001 NE2 HIS A 64 -1.891 -1.245 -9.964 1.00 0.00 N ATOM 0 H HIS A 64 -3.670 -3.366 -4.638 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.022 -1.369 -6.075 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.435 -3.637 -6.704 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.691 -2.446 -6.979 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -3.463 -3.970 -9.382 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.058 -0.249 -8.012 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -2.233 -2.858 -11.327 1.00 0.00 H new ATOM 1009 N THR A 65 -4.899 -0.609 -4.775 1.00 0.00 N ATOM 1010 CA THR A 65 -5.781 0.549 -4.477 1.00 0.00 C ATOM 1011 C THR A 65 -4.971 1.608 -3.721 1.00 0.00 C ATOM 1012 O THR A 65 -4.813 2.723 -4.173 1.00 0.00 O ATOM 1013 CB THR A 65 -6.897 -0.043 -3.608 1.00 0.00 C ATOM 1014 OG1 THR A 65 -7.967 -0.461 -4.444 1.00 0.00 O ATOM 1015 CG2 THR A 65 -7.409 0.996 -2.612 1.00 0.00 C ATOM 0 H THR A 65 -5.152 -1.477 -4.303 1.00 0.00 H new ATOM 0 HA THR A 65 -6.187 1.038 -5.362 1.00 0.00 H new ATOM 0 HB THR A 65 -6.500 -0.893 -3.054 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.504 -1.134 -3.976 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.201 0.558 -2.004 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.591 1.316 -1.967 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.802 1.857 -3.154 1.00 0.00 H new ATOM 1023 N LEU A 66 -4.437 1.252 -2.584 1.00 0.00 N ATOM 1024 CA LEU A 66 -3.616 2.214 -1.806 1.00 0.00 C ATOM 1025 C LEU A 66 -2.608 2.875 -2.739 1.00 0.00 C ATOM 1026 O LEU A 66 -2.404 4.072 -2.717 1.00 0.00 O ATOM 1027 CB LEU A 66 -2.883 1.341 -0.789 1.00 0.00 C ATOM 1028 CG LEU A 66 -3.758 1.135 0.443 1.00 0.00 C ATOM 1029 CD1 LEU A 66 -4.733 -0.014 0.201 1.00 0.00 C ATOM 1030 CD2 LEU A 66 -2.868 0.799 1.642 1.00 0.00 C ATOM 0 H LEU A 66 -4.537 0.329 -2.161 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.205 3.001 -1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.635 0.378 -1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.942 1.812 -0.503 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.321 2.047 0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.355 -0.156 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.366 0.220 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.175 -0.928 -0.000 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.489 0.651 2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.308 -0.113 1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.173 1.619 1.820 1.00 0.00 H new ATOM 1042 N GLU A 67 -1.977 2.083 -3.559 1.00 0.00 N ATOM 1043 CA GLU A 67 -0.965 2.612 -4.510 1.00 0.00 C ATOM 1044 C GLU A 67 -1.616 3.583 -5.486 1.00 0.00 C ATOM 1045 O GLU A 67 -1.009 4.539 -5.926 1.00 0.00 O ATOM 1046 CB GLU A 67 -0.431 1.347 -5.213 1.00 0.00 C ATOM 1047 CG GLU A 67 -0.616 1.428 -6.735 1.00 0.00 C ATOM 1048 CD GLU A 67 0.354 2.457 -7.315 1.00 0.00 C ATOM 1049 OE1 GLU A 67 1.549 2.224 -7.237 1.00 0.00 O ATOM 1050 OE2 GLU A 67 -0.114 3.462 -7.824 1.00 0.00 O ATOM 0 H GLU A 67 -2.123 1.075 -3.610 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.165 3.177 -4.031 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.626 1.219 -4.980 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.950 0.469 -4.829 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.438 0.451 -7.186 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.643 1.707 -6.972 1.00 0.00 H new ATOM 1057 N ASN A 68 -2.844 3.352 -5.827 1.00 0.00 N ATOM 1058 CA ASN A 68 -3.515 4.270 -6.769 1.00 0.00 C ATOM 1059 C ASN A 68 -3.576 5.657 -6.159 1.00 0.00 C ATOM 1060 O ASN A 68 -3.337 6.651 -6.812 1.00 0.00 O ATOM 1061 CB ASN A 68 -4.917 3.717 -6.934 1.00 0.00 C ATOM 1062 CG ASN A 68 -5.153 3.338 -8.397 1.00 0.00 C ATOM 1063 OD1 ASN A 68 -5.553 4.164 -9.194 1.00 0.00 O ATOM 1064 ND2 ASN A 68 -4.921 2.115 -8.788 1.00 0.00 N ATOM 0 H ASN A 68 -3.409 2.571 -5.495 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.992 4.344 -7.723 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.051 2.844 -6.296 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -5.650 4.459 -6.618 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.075 1.853 -9.762 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.585 1.421 -8.120 1.00 0.00 H new ATOM 1071 N ILE A 69 -3.870 5.733 -4.897 1.00 0.00 N ATOM 1072 CA ILE A 69 -3.927 7.061 -4.246 1.00 0.00 C ATOM 1073 C ILE A 69 -2.524 7.605 -4.203 1.00 0.00 C ATOM 1074 O ILE A 69 -2.274 8.787 -4.325 1.00 0.00 O ATOM 1075 CB ILE A 69 -4.477 6.809 -2.850 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -5.963 6.492 -2.963 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -4.292 8.067 -2.001 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -6.160 5.125 -3.612 1.00 0.00 C ATOM 0 H ILE A 69 -4.072 4.937 -4.292 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.554 7.784 -4.768 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.951 5.976 -2.384 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.421 6.503 -1.974 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.462 7.259 -3.554 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.685 7.891 -1.000 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.231 8.310 -1.937 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.828 8.898 -2.460 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.226 4.908 -3.688 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.719 5.128 -4.609 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.677 4.360 -3.004 1.00 0.00 H new ATOM 1090 N LEU A 70 -1.606 6.715 -4.085 1.00 0.00 N ATOM 1091 CA LEU A 70 -0.179 7.115 -4.088 1.00 0.00 C ATOM 1092 C LEU A 70 0.194 7.507 -5.502 1.00 0.00 C ATOM 1093 O LEU A 70 1.154 8.214 -5.737 1.00 0.00 O ATOM 1094 CB LEU A 70 0.608 5.884 -3.626 1.00 0.00 C ATOM 1095 CG LEU A 70 0.202 5.468 -2.200 1.00 0.00 C ATOM 1096 CD1 LEU A 70 1.448 5.045 -1.429 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -0.473 6.629 -1.453 1.00 0.00 C ATOM 0 H LEU A 70 -1.776 5.714 -3.985 1.00 0.00 H new ATOM 0 HA LEU A 70 0.032 7.961 -3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.431 5.057 -4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.676 6.100 -3.655 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.506 4.642 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.167 4.749 -0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.921 4.204 -1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.147 5.880 -1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.748 6.305 -0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.218 7.469 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.368 6.937 -1.993 1.00 0.00 H new ATOM 1109 N ASP A 71 -0.586 7.081 -6.450 1.00 0.00 N ATOM 1110 CA ASP A 71 -0.296 7.470 -7.851 1.00 0.00 C ATOM 1111 C ASP A 71 -0.814 8.887 -8.062 1.00 0.00 C ATOM 1112 O ASP A 71 -0.104 9.748 -8.539 1.00 0.00 O ATOM 1113 CB ASP A 71 -1.029 6.458 -8.736 1.00 0.00 C ATOM 1114 CG ASP A 71 -1.234 7.047 -10.133 1.00 0.00 C ATOM 1115 OD1 ASP A 71 -0.289 7.032 -10.906 1.00 0.00 O ATOM 1116 OD2 ASP A 71 -2.333 7.502 -10.408 1.00 0.00 O ATOM 0 H ASP A 71 -1.404 6.486 -6.317 1.00 0.00 H new ATOM 0 HA ASP A 71 0.767 7.463 -8.091 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.454 5.534 -8.801 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.992 6.204 -8.293 1.00 0.00 H new ATOM 1121 N LYS A 72 -2.033 9.159 -7.672 1.00 0.00 N ATOM 1122 CA LYS A 72 -2.541 10.539 -7.820 1.00 0.00 C ATOM 1123 C LYS A 72 -1.710 11.451 -6.932 1.00 0.00 C ATOM 1124 O LYS A 72 -1.469 12.603 -7.233 1.00 0.00 O ATOM 1125 CB LYS A 72 -3.965 10.471 -7.318 1.00 0.00 C ATOM 1126 CG LYS A 72 -4.861 9.838 -8.365 1.00 0.00 C ATOM 1127 CD LYS A 72 -5.949 9.095 -7.624 1.00 0.00 C ATOM 1128 CE LYS A 72 -5.561 7.630 -7.487 1.00 0.00 C ATOM 1129 NZ LYS A 72 -6.793 6.851 -7.807 1.00 0.00 N ATOM 0 H LYS A 72 -2.685 8.489 -7.264 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.489 10.919 -8.840 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.006 9.891 -6.396 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.323 11.473 -7.081 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.289 10.599 -9.017 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.292 9.158 -8.999 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.099 9.536 -6.639 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.894 9.183 -8.160 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.749 7.375 -8.168 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.211 7.411 -6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.534 5.869 -8.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.434 6.863 -6.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.270 7.278 -8.627 1.00 0.00 H new ATOM 1143 N ALA A 73 -1.257 10.911 -5.844 1.00 0.00 N ATOM 1144 CA ALA A 73 -0.412 11.696 -4.911 1.00 0.00 C ATOM 1145 C ALA A 73 0.837 12.139 -5.656 1.00 0.00 C ATOM 1146 O ALA A 73 1.294 13.257 -5.530 1.00 0.00 O ATOM 1147 CB ALA A 73 -0.053 10.720 -3.792 1.00 0.00 C ATOM 0 H ALA A 73 -1.437 9.949 -5.557 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.906 12.585 -4.519 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.574 11.224 -3.057 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.965 10.367 -3.310 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.489 9.871 -4.209 1.00 0.00 H new ATOM 1153 N ARG A 74 1.379 11.264 -6.457 1.00 0.00 N ATOM 1154 CA ARG A 74 2.584 11.628 -7.241 1.00 0.00 C ATOM 1155 C ARG A 74 2.147 12.199 -8.589 1.00 0.00 C ATOM 1156 O ARG A 74 2.932 12.768 -9.323 1.00 0.00 O ATOM 1157 CB ARG A 74 3.361 10.325 -7.423 1.00 0.00 C ATOM 1158 CG ARG A 74 2.549 9.370 -8.296 1.00 0.00 C ATOM 1159 CD ARG A 74 3.433 8.203 -8.741 1.00 0.00 C ATOM 1160 NE ARG A 74 3.223 8.103 -10.212 1.00 0.00 N ATOM 1161 CZ ARG A 74 4.235 8.222 -11.028 1.00 0.00 C ATOM 1162 NH1 ARG A 74 5.272 7.438 -10.902 1.00 0.00 N ATOM 1163 NH2 ARG A 74 4.213 9.126 -11.968 1.00 0.00 N ATOM 0 H ARG A 74 1.037 10.314 -6.600 1.00 0.00 H new ATOM 0 HA ARG A 74 3.198 12.382 -6.749 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.327 10.526 -7.886 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.561 9.869 -6.453 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.689 8.996 -7.741 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.161 9.898 -9.167 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.481 8.388 -8.503 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.150 7.279 -8.238 1.00 0.00 H new ATOM 0 HE ARG A 74 2.287 7.941 -10.583 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.291 6.732 -10.166 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.062 7.531 -11.540 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.405 9.740 -12.066 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.004 9.218 -12.605 1.00 0.00 H new ATOM 1177 N ASN A 75 0.888 12.058 -8.914 1.00 0.00 N ATOM 1178 CA ASN A 75 0.384 12.598 -10.207 1.00 0.00 C ATOM 1179 C ASN A 75 -0.270 13.964 -9.975 1.00 0.00 C ATOM 1180 O ASN A 75 -0.773 14.587 -10.888 1.00 0.00 O ATOM 1181 CB ASN A 75 -0.649 11.579 -10.690 1.00 0.00 C ATOM 1182 CG ASN A 75 -0.845 11.726 -12.200 1.00 0.00 C ATOM 1183 OD1 ASN A 75 -0.340 10.932 -12.969 1.00 0.00 O ATOM 1184 ND2 ASN A 75 -1.563 12.713 -12.660 1.00 0.00 N ATOM 0 H ASN A 75 0.188 11.591 -8.337 1.00 0.00 H new ATOM 0 HA ASN A 75 1.179 12.741 -10.939 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.317 10.568 -10.453 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -1.596 11.733 -10.173 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -1.701 12.818 -13.665 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -1.987 13.379 -12.015 1.00 0.00 H new ATOM 1191 N SER A 76 -0.261 14.428 -8.753 1.00 0.00 N ATOM 1192 CA SER A 76 -0.873 15.751 -8.434 1.00 0.00 C ATOM 1193 C SER A 76 -2.396 15.658 -8.483 1.00 0.00 C ATOM 1194 O SER A 76 -3.070 16.603 -8.844 1.00 0.00 O ATOM 1195 CB SER A 76 -0.361 16.711 -9.509 1.00 0.00 C ATOM 1196 OG SER A 76 -0.396 18.040 -9.006 1.00 0.00 O ATOM 0 H SER A 76 0.148 13.942 -7.955 1.00 0.00 H new ATOM 0 HA SER A 76 -0.606 16.089 -7.433 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.656 16.445 -9.796 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.976 16.633 -10.406 1.00 0.00 H new ATOM 0 HG SER A 76 -0.067 18.658 -9.692 1.00 0.00 H new ATOM 1202 N GLU A 77 -2.952 14.532 -8.124 1.00 0.00 N ATOM 1203 CA GLU A 77 -4.429 14.405 -8.156 1.00 0.00 C ATOM 1204 C GLU A 77 -4.976 14.320 -6.736 1.00 0.00 C ATOM 1205 O GLU A 77 -5.955 14.953 -6.397 1.00 0.00 O ATOM 1206 CB GLU A 77 -4.693 13.131 -8.952 1.00 0.00 C ATOM 1207 CG GLU A 77 -4.455 13.405 -10.435 1.00 0.00 C ATOM 1208 CD GLU A 77 -5.284 14.615 -10.872 1.00 0.00 C ATOM 1209 OE1 GLU A 77 -6.453 14.664 -10.527 1.00 0.00 O ATOM 1210 OE2 GLU A 77 -4.735 15.472 -11.545 1.00 0.00 O ATOM 0 H GLU A 77 -2.447 13.702 -7.813 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.923 15.262 -8.615 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.037 12.331 -8.608 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.717 12.794 -8.792 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.396 13.592 -10.615 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.729 12.531 -11.025 1.00 0.00 H new ATOM 1217 N ILE A 78 -4.341 13.558 -5.901 1.00 0.00 N ATOM 1218 CA ILE A 78 -4.817 13.454 -4.490 1.00 0.00 C ATOM 1219 C ILE A 78 -3.666 13.677 -3.513 1.00 0.00 C ATOM 1220 O ILE A 78 -2.517 13.766 -3.893 1.00 0.00 O ATOM 1221 CB ILE A 78 -5.340 12.027 -4.335 1.00 0.00 C ATOM 1222 CG1 ILE A 78 -4.174 11.040 -4.447 1.00 0.00 C ATOM 1223 CG2 ILE A 78 -6.377 11.735 -5.420 1.00 0.00 C ATOM 1224 CD1 ILE A 78 -3.418 10.973 -3.123 1.00 0.00 C ATOM 0 H ILE A 78 -3.516 13.002 -6.127 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.579 14.203 -4.278 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.810 11.918 -3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.548 10.051 -4.712 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.500 11.350 -5.245 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.747 10.716 -5.305 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.207 12.435 -5.328 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.917 11.845 -6.402 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.591 10.269 -3.212 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.029 11.961 -2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.094 10.641 -2.335 1.00 0.00 H new ATOM 1236 N LYS A 79 -3.972 13.735 -2.247 1.00 0.00 N ATOM 1237 CA LYS A 79 -2.917 13.910 -1.222 1.00 0.00 C ATOM 1238 C LYS A 79 -3.393 13.267 0.082 1.00 0.00 C ATOM 1239 O LYS A 79 -4.577 13.185 0.342 1.00 0.00 O ATOM 1240 CB LYS A 79 -2.751 15.416 -1.075 1.00 0.00 C ATOM 1241 CG LYS A 79 -4.021 16.013 -0.474 1.00 0.00 C ATOM 1242 CD LYS A 79 -3.628 16.957 0.651 1.00 0.00 C ATOM 1243 CE LYS A 79 -3.971 16.327 2.001 1.00 0.00 C ATOM 1244 NZ LYS A 79 -3.026 16.953 2.968 1.00 0.00 N ATOM 0 H LYS A 79 -4.921 13.667 -1.879 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.969 13.443 -1.488 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.895 15.638 -0.437 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.549 15.867 -2.047 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.585 16.549 -1.237 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.668 15.222 -0.095 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.561 17.172 0.601 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.151 17.907 0.540 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.007 16.524 2.277 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.849 15.244 1.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.199 16.571 3.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.048 16.743 2.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.170 17.983 2.977 1.00 0.00 H new ATOM 1258 N ILE A 80 -2.497 12.797 0.901 1.00 0.00 N ATOM 1259 CA ILE A 80 -2.938 12.154 2.168 1.00 0.00 C ATOM 1260 C ILE A 80 -3.570 13.191 3.084 1.00 0.00 C ATOM 1261 O ILE A 80 -2.910 13.908 3.810 1.00 0.00 O ATOM 1262 CB ILE A 80 -1.674 11.575 2.768 1.00 0.00 C ATOM 1263 CG1 ILE A 80 -1.371 10.236 2.097 1.00 0.00 C ATOM 1264 CG2 ILE A 80 -1.847 11.368 4.276 1.00 0.00 C ATOM 1265 CD1 ILE A 80 -1.137 10.449 0.600 1.00 0.00 C ATOM 0 H ILE A 80 -1.489 12.829 0.751 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.693 11.383 2.013 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.849 12.268 2.604 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.490 9.782 2.551 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.201 9.546 2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.930 10.951 4.694 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.061 12.325 4.752 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.673 10.680 4.456 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.921 9.492 0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.030 10.884 0.150 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.293 11.124 0.456 1.00 0.00 H new ATOM 1277 N THR A 81 -4.855 13.256 3.034 1.00 0.00 N ATOM 1278 CA THR A 81 -5.615 14.225 3.875 1.00 0.00 C ATOM 1279 C THR A 81 -5.908 13.616 5.247 1.00 0.00 C ATOM 1280 O THR A 81 -6.807 14.044 5.943 1.00 0.00 O ATOM 1281 CB THR A 81 -6.921 14.442 3.113 1.00 0.00 C ATOM 1282 OG1 THR A 81 -7.642 13.218 3.064 1.00 0.00 O ATOM 1283 CG2 THR A 81 -6.618 14.911 1.692 1.00 0.00 C ATOM 0 H THR A 81 -5.435 12.669 2.435 1.00 0.00 H new ATOM 0 HA THR A 81 -5.066 15.151 4.044 1.00 0.00 H new ATOM 0 HB THR A 81 -7.516 15.201 3.621 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.340 13.276 2.378 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.553 15.064 1.152 1.00 0.00 H new ATOM 0 HG22 THR A 81 -6.062 15.848 1.729 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.023 14.156 1.179 1.00 0.00 H new ATOM 1291 N SER A 82 -5.176 12.595 5.622 1.00 0.00 N ATOM 1292 CA SER A 82 -5.417 11.915 6.936 1.00 0.00 C ATOM 1293 C SER A 82 -6.652 11.011 6.834 1.00 0.00 C ATOM 1294 O SER A 82 -6.913 10.197 7.699 1.00 0.00 O ATOM 1295 CB SER A 82 -5.652 13.029 7.957 1.00 0.00 C ATOM 1296 OG SER A 82 -4.809 12.820 9.083 1.00 0.00 O ATOM 0 H SER A 82 -4.415 12.199 5.070 1.00 0.00 H new ATOM 0 HA SER A 82 -4.574 11.289 7.227 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.444 14.000 7.507 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.697 13.039 8.267 1.00 0.00 H new ATOM 0 HG SER A 82 -4.956 13.533 9.739 1.00 0.00 H new ATOM 1302 N ASP A 83 -7.400 11.138 5.772 1.00 0.00 N ATOM 1303 CA ASP A 83 -8.603 10.289 5.584 1.00 0.00 C ATOM 1304 C ASP A 83 -8.370 9.400 4.367 1.00 0.00 C ATOM 1305 O ASP A 83 -8.602 8.209 4.399 1.00 0.00 O ATOM 1306 CB ASP A 83 -9.744 11.272 5.328 1.00 0.00 C ATOM 1307 CG ASP A 83 -11.086 10.552 5.461 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -11.086 9.416 5.907 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -12.093 11.147 5.114 1.00 0.00 O ATOM 0 H ASP A 83 -7.224 11.803 5.019 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.823 9.646 6.436 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.692 12.097 6.038 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.649 11.703 4.331 1.00 0.00 H new ATOM 1314 N LEU A 84 -7.874 9.971 3.302 1.00 0.00 N ATOM 1315 CA LEU A 84 -7.586 9.152 2.098 1.00 0.00 C ATOM 1316 C LEU A 84 -6.492 8.157 2.463 1.00 0.00 C ATOM 1317 O LEU A 84 -6.407 7.073 1.923 1.00 0.00 O ATOM 1318 CB LEU A 84 -7.110 10.155 1.044 1.00 0.00 C ATOM 1319 CG LEU A 84 -6.238 9.449 0.007 1.00 0.00 C ATOM 1320 CD1 LEU A 84 -7.094 8.487 -0.817 1.00 0.00 C ATOM 1321 CD2 LEU A 84 -5.608 10.490 -0.918 1.00 0.00 C ATOM 0 H LEU A 84 -7.658 10.964 3.217 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.440 8.586 1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.968 10.617 0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.546 10.956 1.521 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.454 8.888 0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.469 7.985 -1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.544 7.745 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.880 9.044 -1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.985 9.989 -1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.394 11.050 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.995 11.174 -0.332 1.00 0.00 H new ATOM 1333 N LEU A 85 -5.674 8.517 3.412 1.00 0.00 N ATOM 1334 CA LEU A 85 -4.602 7.594 3.857 1.00 0.00 C ATOM 1335 C LEU A 85 -5.213 6.608 4.856 1.00 0.00 C ATOM 1336 O LEU A 85 -4.875 5.440 4.884 1.00 0.00 O ATOM 1337 CB LEU A 85 -3.533 8.503 4.492 1.00 0.00 C ATOM 1338 CG LEU A 85 -3.545 8.390 6.020 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -2.902 7.068 6.437 1.00 0.00 C ATOM 1340 CD2 LEU A 85 -2.758 9.556 6.623 1.00 0.00 C ATOM 0 H LEU A 85 -5.704 9.413 3.898 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.155 7.001 3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.548 8.230 4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.712 9.538 4.200 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.573 8.422 6.380 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.910 6.986 7.524 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.463 6.239 6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.873 7.035 6.078 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.766 9.477 7.710 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.729 9.525 6.264 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.218 10.498 6.325 1.00 0.00 H new ATOM 1352 N ASP A 86 -6.133 7.074 5.662 1.00 0.00 N ATOM 1353 CA ASP A 86 -6.794 6.167 6.642 1.00 0.00 C ATOM 1354 C ASP A 86 -7.503 5.043 5.887 1.00 0.00 C ATOM 1355 O ASP A 86 -7.496 3.901 6.304 1.00 0.00 O ATOM 1356 CB ASP A 86 -7.804 7.042 7.384 1.00 0.00 C ATOM 1357 CG ASP A 86 -8.367 6.272 8.581 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -9.328 5.544 8.393 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -7.825 6.421 9.664 1.00 0.00 O ATOM 0 H ASP A 86 -6.453 8.042 5.682 1.00 0.00 H new ATOM 0 HA ASP A 86 -6.088 5.705 7.332 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.325 7.961 7.722 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.612 7.332 6.712 1.00 0.00 H new ATOM 1364 N LYS A 87 -8.089 5.350 4.759 1.00 0.00 N ATOM 1365 CA LYS A 87 -8.763 4.288 3.966 1.00 0.00 C ATOM 1366 C LYS A 87 -7.682 3.405 3.363 1.00 0.00 C ATOM 1367 O LYS A 87 -7.780 2.195 3.348 1.00 0.00 O ATOM 1368 CB LYS A 87 -9.545 5.024 2.876 1.00 0.00 C ATOM 1369 CG LYS A 87 -10.562 5.968 3.522 1.00 0.00 C ATOM 1370 CD LYS A 87 -11.473 5.176 4.461 1.00 0.00 C ATOM 1371 CE LYS A 87 -12.549 6.105 5.028 1.00 0.00 C ATOM 1372 NZ LYS A 87 -12.257 6.184 6.488 1.00 0.00 N ATOM 0 H LYS A 87 -8.128 6.287 4.357 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.431 3.659 4.555 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.861 5.589 2.242 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.056 4.307 2.234 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.045 6.752 4.076 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.156 6.461 2.752 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.937 4.349 3.923 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.888 4.741 5.272 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.506 7.090 4.563 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.548 5.710 4.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.953 6.804 6.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.312 5.233 6.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.302 6.570 6.631 1.00 0.00 H new ATOM 1386 N ILE A 88 -6.624 4.014 2.906 1.00 0.00 N ATOM 1387 CA ILE A 88 -5.500 3.223 2.347 1.00 0.00 C ATOM 1388 C ILE A 88 -4.988 2.312 3.460 1.00 0.00 C ATOM 1389 O ILE A 88 -4.855 1.115 3.298 1.00 0.00 O ATOM 1390 CB ILE A 88 -4.463 4.285 1.936 1.00 0.00 C ATOM 1391 CG1 ILE A 88 -4.560 4.528 0.440 1.00 0.00 C ATOM 1392 CG2 ILE A 88 -3.032 3.849 2.273 1.00 0.00 C ATOM 1393 CD1 ILE A 88 -4.601 6.031 0.182 1.00 0.00 C ATOM 0 H ILE A 88 -6.492 5.025 2.897 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.754 2.589 1.497 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.682 5.196 2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.706 4.082 -0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.455 4.053 0.039 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.333 4.627 1.966 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.945 3.686 3.347 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.800 2.924 1.745 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.671 6.214 -0.890 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.469 6.462 0.681 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.693 6.492 0.571 1.00 0.00 H new ATOM 1405 N PHE A 89 -4.730 2.886 4.600 1.00 0.00 N ATOM 1406 CA PHE A 89 -4.251 2.083 5.756 1.00 0.00 C ATOM 1407 C PHE A 89 -5.336 1.097 6.171 1.00 0.00 C ATOM 1408 O PHE A 89 -5.082 0.101 6.818 1.00 0.00 O ATOM 1409 CB PHE A 89 -3.992 3.106 6.858 1.00 0.00 C ATOM 1410 CG PHE A 89 -3.493 2.398 8.096 1.00 0.00 C ATOM 1411 CD1 PHE A 89 -4.407 1.871 9.017 1.00 0.00 C ATOM 1412 CD2 PHE A 89 -2.118 2.269 8.320 1.00 0.00 C ATOM 1413 CE1 PHE A 89 -3.943 1.213 10.162 1.00 0.00 C ATOM 1414 CE2 PHE A 89 -1.655 1.612 9.467 1.00 0.00 C ATOM 1415 CZ PHE A 89 -2.567 1.083 10.387 1.00 0.00 C ATOM 0 H PHE A 89 -4.831 3.885 4.781 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.357 1.501 5.532 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.257 3.838 6.524 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.907 3.653 7.083 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.468 1.972 8.844 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.414 2.676 7.609 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.647 0.805 10.872 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.594 1.514 9.641 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.210 0.575 11.270 1.00 0.00 H new ATOM 1425 N ALA A 90 -6.538 1.361 5.765 1.00 0.00 N ATOM 1426 CA ALA A 90 -7.656 0.439 6.085 1.00 0.00 C ATOM 1427 C ALA A 90 -7.566 -0.738 5.125 1.00 0.00 C ATOM 1428 O ALA A 90 -7.863 -1.866 5.463 1.00 0.00 O ATOM 1429 CB ALA A 90 -8.932 1.247 5.849 1.00 0.00 C ATOM 0 H ALA A 90 -6.799 2.183 5.220 1.00 0.00 H new ATOM 0 HA ALA A 90 -7.633 0.056 7.105 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.801 0.626 6.067 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.936 2.119 6.502 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -8.970 1.572 4.809 1.00 0.00 H new ATOM 1435 N GLY A 91 -7.114 -0.473 3.929 1.00 0.00 N ATOM 1436 CA GLY A 91 -6.950 -1.563 2.935 1.00 0.00 C ATOM 1437 C GLY A 91 -5.823 -2.460 3.429 1.00 0.00 C ATOM 1438 O GLY A 91 -5.924 -3.671 3.428 1.00 0.00 O ATOM 0 H GLY A 91 -6.851 0.456 3.600 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.875 -2.130 2.830 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.714 -1.155 1.952 1.00 0.00 H new ATOM 1442 N VAL A 92 -4.756 -1.862 3.889 1.00 0.00 N ATOM 1443 CA VAL A 92 -3.628 -2.662 4.428 1.00 0.00 C ATOM 1444 C VAL A 92 -4.116 -3.390 5.683 1.00 0.00 C ATOM 1445 O VAL A 92 -3.610 -4.431 6.054 1.00 0.00 O ATOM 1446 CB VAL A 92 -2.544 -1.629 4.765 1.00 0.00 C ATOM 1447 CG1 VAL A 92 -1.662 -2.140 5.909 1.00 0.00 C ATOM 1448 CG2 VAL A 92 -1.673 -1.389 3.530 1.00 0.00 C ATOM 0 H VAL A 92 -4.621 -0.851 3.913 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.247 -3.414 3.737 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.024 -0.699 5.071 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.897 -1.398 6.138 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.276 -2.313 6.793 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.184 -3.073 5.611 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.902 -0.656 3.766 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.203 -2.325 3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.293 -1.015 2.715 1.00 0.00 H new ATOM 1458 N ASP A 93 -5.116 -2.843 6.323 1.00 0.00 N ATOM 1459 CA ASP A 93 -5.677 -3.483 7.543 1.00 0.00 C ATOM 1460 C ASP A 93 -6.416 -4.755 7.143 1.00 0.00 C ATOM 1461 O ASP A 93 -6.298 -5.782 7.779 1.00 0.00 O ATOM 1462 CB ASP A 93 -6.643 -2.445 8.118 1.00 0.00 C ATOM 1463 CG ASP A 93 -6.067 -1.871 9.414 1.00 0.00 C ATOM 1464 OD1 ASP A 93 -4.921 -1.453 9.396 1.00 0.00 O ATOM 1465 OD2 ASP A 93 -6.783 -1.858 10.402 1.00 0.00 O ATOM 0 H ASP A 93 -5.570 -1.972 6.048 1.00 0.00 H new ATOM 0 HA ASP A 93 -4.916 -3.765 8.271 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.806 -1.646 7.395 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.613 -2.903 8.311 1.00 0.00 H new ATOM 1470 N MET A 94 -7.152 -4.702 6.068 1.00 0.00 N ATOM 1471 CA MET A 94 -7.865 -5.918 5.608 1.00 0.00 C ATOM 1472 C MET A 94 -6.838 -6.846 4.971 1.00 0.00 C ATOM 1473 O MET A 94 -6.939 -8.054 5.031 1.00 0.00 O ATOM 1474 CB MET A 94 -8.884 -5.432 4.578 1.00 0.00 C ATOM 1475 CG MET A 94 -9.899 -4.511 5.261 1.00 0.00 C ATOM 1476 SD MET A 94 -11.431 -4.480 4.298 1.00 0.00 S ATOM 1477 CE MET A 94 -10.675 -4.173 2.684 1.00 0.00 C ATOM 0 H MET A 94 -7.288 -3.871 5.492 1.00 0.00 H new ATOM 0 HA MET A 94 -8.366 -6.461 6.410 1.00 0.00 H new ATOM 0 HB2 MET A 94 -8.378 -4.900 3.773 1.00 0.00 H new ATOM 0 HB3 MET A 94 -9.395 -6.282 4.126 1.00 0.00 H new ATOM 0 HG2 MET A 94 -10.100 -4.862 6.273 1.00 0.00 H new ATOM 0 HG3 MET A 94 -9.491 -3.504 5.348 1.00 0.00 H new ATOM 0 HE1 MET A 94 -11.419 -3.752 2.008 1.00 0.00 H new ATOM 0 HE2 MET A 94 -9.849 -3.471 2.797 1.00 0.00 H new ATOM 0 HE3 MET A 94 -10.301 -5.111 2.273 1.00 0.00 H new ATOM 1487 N ILE A 95 -5.824 -6.267 4.386 1.00 0.00 N ATOM 1488 CA ILE A 95 -4.746 -7.080 3.768 1.00 0.00 C ATOM 1489 C ILE A 95 -4.060 -7.883 4.873 1.00 0.00 C ATOM 1490 O ILE A 95 -3.701 -9.030 4.694 1.00 0.00 O ATOM 1491 CB ILE A 95 -3.804 -6.041 3.142 1.00 0.00 C ATOM 1492 CG1 ILE A 95 -4.160 -5.856 1.666 1.00 0.00 C ATOM 1493 CG2 ILE A 95 -2.346 -6.488 3.257 1.00 0.00 C ATOM 1494 CD1 ILE A 95 -3.795 -4.436 1.230 1.00 0.00 C ATOM 0 H ILE A 95 -5.699 -5.258 4.311 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.090 -7.794 3.020 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.923 -5.099 3.678 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -3.624 -6.584 1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.224 -6.033 1.512 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.698 -5.736 2.807 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -2.085 -6.610 4.308 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -2.215 -7.438 2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.048 -4.302 0.178 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.351 -3.717 1.831 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.726 -4.276 1.369 1.00 0.00 H new ATOM 1506 N THR A 96 -3.908 -7.294 6.028 1.00 0.00 N ATOM 1507 CA THR A 96 -3.282 -8.025 7.156 1.00 0.00 C ATOM 1508 C THR A 96 -4.242 -9.125 7.591 1.00 0.00 C ATOM 1509 O THR A 96 -3.877 -10.276 7.719 1.00 0.00 O ATOM 1510 CB THR A 96 -3.105 -6.985 8.263 1.00 0.00 C ATOM 1511 OG1 THR A 96 -2.023 -6.125 7.934 1.00 0.00 O ATOM 1512 CG2 THR A 96 -2.813 -7.693 9.586 1.00 0.00 C ATOM 0 H THR A 96 -4.192 -6.337 6.235 1.00 0.00 H new ATOM 0 HA THR A 96 -2.327 -8.485 6.902 1.00 0.00 H new ATOM 0 HB THR A 96 -4.018 -6.398 8.361 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.326 -5.450 7.292 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.687 -6.952 10.375 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.644 -8.352 9.837 1.00 0.00 H new ATOM 0 HG23 THR A 96 -1.900 -8.280 9.491 1.00 0.00 H new ATOM 1520 N ARG A 97 -5.484 -8.775 7.795 1.00 0.00 N ATOM 1521 CA ARG A 97 -6.482 -9.798 8.192 1.00 0.00 C ATOM 1522 C ARG A 97 -6.492 -10.922 7.156 1.00 0.00 C ATOM 1523 O ARG A 97 -6.680 -12.079 7.479 1.00 0.00 O ATOM 1524 CB ARG A 97 -7.818 -9.052 8.201 1.00 0.00 C ATOM 1525 CG ARG A 97 -8.080 -8.439 9.583 1.00 0.00 C ATOM 1526 CD ARG A 97 -6.773 -7.935 10.205 1.00 0.00 C ATOM 1527 NE ARG A 97 -7.186 -7.257 11.465 1.00 0.00 N ATOM 1528 CZ ARG A 97 -7.358 -5.964 11.486 1.00 0.00 C ATOM 1529 NH1 ARG A 97 -6.424 -5.175 11.029 1.00 0.00 N ATOM 1530 NH2 ARG A 97 -8.463 -5.458 11.961 1.00 0.00 N ATOM 0 H ARG A 97 -5.846 -7.826 7.703 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.269 -10.253 9.159 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.809 -8.268 7.444 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -8.626 -9.736 7.941 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -8.788 -7.615 9.493 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.537 -9.182 10.236 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.087 -8.758 10.406 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.257 -7.246 9.536 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.335 -7.804 12.313 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -5.561 -5.570 10.656 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -6.558 -4.164 11.045 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -9.194 -6.074 12.317 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -8.595 -4.447 11.977 1.00 0.00 H new ATOM 1544 N MET A 98 -6.264 -10.591 5.912 1.00 0.00 N ATOM 1545 CA MET A 98 -6.232 -11.640 4.860 1.00 0.00 C ATOM 1546 C MET A 98 -4.987 -12.489 5.071 1.00 0.00 C ATOM 1547 O MET A 98 -4.999 -13.692 4.907 1.00 0.00 O ATOM 1548 CB MET A 98 -6.147 -10.879 3.536 1.00 0.00 C ATOM 1549 CG MET A 98 -7.541 -10.403 3.131 1.00 0.00 C ATOM 1550 SD MET A 98 -7.415 -8.798 2.304 1.00 0.00 S ATOM 1551 CE MET A 98 -8.602 -9.131 0.979 1.00 0.00 C ATOM 0 H MET A 98 -6.099 -9.640 5.583 1.00 0.00 H new ATOM 0 HA MET A 98 -7.101 -12.298 4.879 1.00 0.00 H new ATOM 0 HB2 MET A 98 -5.475 -10.027 3.637 1.00 0.00 H new ATOM 0 HB3 MET A 98 -5.731 -11.522 2.761 1.00 0.00 H new ATOM 0 HG2 MET A 98 -8.006 -11.131 2.466 1.00 0.00 H new ATOM 0 HG3 MET A 98 -8.179 -10.321 4.011 1.00 0.00 H new ATOM 0 HE1 MET A 98 -8.066 -9.305 0.046 1.00 0.00 H new ATOM 0 HE2 MET A 98 -9.189 -10.014 1.230 1.00 0.00 H new ATOM 0 HE3 MET A 98 -9.266 -8.275 0.862 1.00 0.00 H new ATOM 1561 N VAL A 99 -3.914 -11.856 5.457 1.00 0.00 N ATOM 1562 CA VAL A 99 -2.652 -12.595 5.710 1.00 0.00 C ATOM 1563 C VAL A 99 -2.783 -13.404 7.003 1.00 0.00 C ATOM 1564 O VAL A 99 -2.260 -14.495 7.119 1.00 0.00 O ATOM 1565 CB VAL A 99 -1.591 -11.500 5.851 1.00 0.00 C ATOM 1566 CG1 VAL A 99 -0.383 -12.038 6.624 1.00 0.00 C ATOM 1567 CG2 VAL A 99 -1.141 -11.046 4.461 1.00 0.00 C ATOM 0 H VAL A 99 -3.860 -10.849 5.609 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.401 -13.302 4.919 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.018 -10.657 6.394 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.367 -11.253 6.720 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.700 -12.360 7.616 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.045 -12.885 6.087 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.386 -10.266 4.560 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.719 -11.893 3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.997 -10.654 3.911 1.00 0.00 H new ATOM 1577 N ASP A 100 -3.491 -12.884 7.972 1.00 0.00 N ATOM 1578 CA ASP A 100 -3.663 -13.636 9.247 1.00 0.00 C ATOM 1579 C ASP A 100 -4.542 -14.852 8.995 1.00 0.00 C ATOM 1580 O ASP A 100 -4.387 -15.888 9.612 1.00 0.00 O ATOM 1581 CB ASP A 100 -4.345 -12.658 10.203 1.00 0.00 C ATOM 1582 CG ASP A 100 -4.326 -13.231 11.620 1.00 0.00 C ATOM 1583 OD1 ASP A 100 -3.349 -13.003 12.316 1.00 0.00 O ATOM 1584 OD2 ASP A 100 -5.285 -13.890 11.986 1.00 0.00 O ATOM 0 H ASP A 100 -3.955 -11.976 7.935 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.719 -13.995 9.658 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -3.833 -11.696 10.182 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -5.372 -12.480 9.885 1.00 0.00 H new ATOM 1589 N LYS A 101 -5.447 -14.746 8.065 1.00 0.00 N ATOM 1590 CA LYS A 101 -6.309 -15.904 7.744 1.00 0.00 C ATOM 1591 C LYS A 101 -5.612 -16.709 6.653 1.00 0.00 C ATOM 1592 O LYS A 101 -5.644 -17.919 6.638 1.00 0.00 O ATOM 1593 CB LYS A 101 -7.646 -15.294 7.299 1.00 0.00 C ATOM 1594 CG LYS A 101 -7.958 -15.594 5.830 1.00 0.00 C ATOM 1595 CD LYS A 101 -8.553 -14.353 5.206 1.00 0.00 C ATOM 1596 CE LYS A 101 -10.017 -14.626 4.837 1.00 0.00 C ATOM 1597 NZ LYS A 101 -9.993 -15.830 3.956 1.00 0.00 N ATOM 0 H LYS A 101 -5.624 -13.905 7.515 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.487 -16.589 8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.448 -15.684 7.926 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.619 -14.215 7.450 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.051 -15.886 5.302 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.655 -16.429 5.753 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.491 -13.516 5.902 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -7.988 -14.072 4.317 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.619 -14.805 5.728 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.457 -13.772 4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.559 -15.647 3.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.012 -16.040 3.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.391 -16.643 4.468 1.00 0.00 H new ATOM 1611 N ILE A 102 -4.954 -16.030 5.750 1.00 0.00 N ATOM 1612 CA ILE A 102 -4.223 -16.748 4.681 1.00 0.00 C ATOM 1613 C ILE A 102 -3.152 -17.582 5.363 1.00 0.00 C ATOM 1614 O ILE A 102 -2.794 -18.659 4.936 1.00 0.00 O ATOM 1615 CB ILE A 102 -3.604 -15.649 3.816 1.00 0.00 C ATOM 1616 CG1 ILE A 102 -4.633 -15.184 2.786 1.00 0.00 C ATOM 1617 CG2 ILE A 102 -2.366 -16.184 3.093 1.00 0.00 C ATOM 1618 CD1 ILE A 102 -4.203 -13.836 2.216 1.00 0.00 C ATOM 0 H ILE A 102 -4.895 -15.012 5.712 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.843 -17.406 4.072 1.00 0.00 H new ATOM 0 HB ILE A 102 -3.310 -14.813 4.451 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.721 -15.919 1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -5.616 -15.099 3.250 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -1.933 -15.394 2.480 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.632 -16.518 3.827 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -2.650 -17.022 2.457 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.935 -13.502 1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.137 -13.105 3.021 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.229 -13.937 1.738 1.00 0.00 H new ATOM 1630 N VAL A 103 -2.670 -17.082 6.459 1.00 0.00 N ATOM 1631 CA VAL A 103 -1.648 -17.826 7.235 1.00 0.00 C ATOM 1632 C VAL A 103 -2.365 -18.909 8.037 1.00 0.00 C ATOM 1633 O VAL A 103 -1.833 -19.967 8.307 1.00 0.00 O ATOM 1634 CB VAL A 103 -1.019 -16.776 8.154 1.00 0.00 C ATOM 1635 CG1 VAL A 103 -0.414 -17.454 9.386 1.00 0.00 C ATOM 1636 CG2 VAL A 103 0.079 -16.028 7.395 1.00 0.00 C ATOM 0 H VAL A 103 -2.942 -16.182 6.855 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.888 -18.312 6.623 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.789 -16.074 8.474 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.031 -16.700 10.035 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.196 -17.984 9.930 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.354 -18.161 9.072 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.528 -15.280 8.048 1.00 0.00 H new ATOM 0 HG22 VAL A 103 0.844 -16.734 7.073 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.352 -15.536 6.523 1.00 0.00 H new ATOM 1646 N SER A 104 -3.585 -18.637 8.408 1.00 0.00 N ATOM 1647 CA SER A 104 -4.381 -19.625 9.188 1.00 0.00 C ATOM 1648 C SER A 104 -5.051 -20.631 8.261 1.00 0.00 C ATOM 1649 O SER A 104 -5.381 -21.735 8.646 1.00 0.00 O ATOM 1650 CB SER A 104 -5.445 -18.789 9.889 1.00 0.00 C ATOM 1651 OG SER A 104 -6.085 -19.575 10.884 1.00 0.00 O ATOM 0 H SER A 104 -4.069 -17.763 8.202 1.00 0.00 H new ATOM 0 HA SER A 104 -3.759 -20.193 9.880 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.990 -17.908 10.343 1.00 0.00 H new ATOM 0 HB3 SER A 104 -6.178 -18.432 9.165 1.00 0.00 H new ATOM 0 HG SER A 104 -6.685 -20.221 10.455 1.00 0.00 H new ATOM 1657 N GLU A 105 -5.272 -20.239 7.051 1.00 0.00 N ATOM 1658 CA GLU A 105 -5.948 -21.141 6.077 1.00 0.00 C ATOM 1659 C GLU A 105 -5.347 -20.971 4.680 1.00 0.00 C ATOM 1660 O GLU A 105 -5.236 -21.916 3.924 1.00 0.00 O ATOM 1661 CB GLU A 105 -7.413 -20.692 6.077 1.00 0.00 C ATOM 1662 CG GLU A 105 -7.879 -20.427 7.511 1.00 0.00 C ATOM 1663 CD GLU A 105 -7.917 -21.742 8.292 1.00 0.00 C ATOM 1664 OE1 GLU A 105 -7.750 -22.781 7.675 1.00 0.00 O ATOM 1665 OE2 GLU A 105 -8.113 -21.688 9.495 1.00 0.00 O ATOM 0 H GLU A 105 -5.014 -19.324 6.683 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.834 -22.191 6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.525 -19.789 5.477 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.037 -21.459 5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -7.205 -19.723 7.998 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.868 -19.969 7.503 1.00 0.00 H new ATOM 1672 N GLY A 106 -4.969 -19.772 4.324 1.00 0.00 N ATOM 1673 CA GLY A 106 -4.389 -19.554 2.968 1.00 0.00 C ATOM 1674 C GLY A 106 -5.434 -18.895 2.071 1.00 0.00 C ATOM 1675 O GLY A 106 -5.353 -18.958 0.861 1.00 0.00 O ATOM 0 H GLY A 106 -5.036 -18.940 4.910 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -3.502 -18.924 3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -4.072 -20.504 2.539 1.00 0.00 H new ATOM 1679 N SER A 107 -6.416 -18.257 2.650 1.00 0.00 N ATOM 1680 CA SER A 107 -7.455 -17.595 1.811 1.00 0.00 C ATOM 1681 C SER A 107 -7.512 -16.114 2.128 1.00 0.00 C ATOM 1682 O SER A 107 -7.651 -15.729 3.263 1.00 0.00 O ATOM 1683 CB SER A 107 -8.773 -18.262 2.188 1.00 0.00 C ATOM 1684 OG SER A 107 -8.614 -19.675 2.156 1.00 0.00 O ATOM 0 H SER A 107 -6.543 -18.166 3.658 1.00 0.00 H new ATOM 0 HA SER A 107 -7.241 -17.695 0.747 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.083 -17.942 3.183 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.558 -17.958 1.496 1.00 0.00 H new ATOM 0 HG SER A 107 -9.460 -20.105 2.400 1.00 0.00 H new ATOM 1690 N ASP A 108 -7.431 -15.285 1.132 1.00 0.00 N ATOM 1691 CA ASP A 108 -7.514 -13.820 1.376 1.00 0.00 C ATOM 1692 C ASP A 108 -8.977 -13.398 1.278 1.00 0.00 C ATOM 1693 O ASP A 108 -9.299 -12.227 1.225 1.00 0.00 O ATOM 1694 CB ASP A 108 -6.692 -13.177 0.259 1.00 0.00 C ATOM 1695 CG ASP A 108 -7.278 -13.574 -1.097 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -8.367 -13.118 -1.405 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -6.628 -14.326 -1.804 1.00 0.00 O ATOM 0 H ASP A 108 -7.311 -15.557 0.156 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.140 -13.526 2.357 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.698 -12.092 0.366 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.653 -13.498 0.326 1.00 0.00 H new ATOM 1702 N ASP A 109 -9.866 -14.356 1.241 1.00 0.00 N ATOM 1703 CA ASP A 109 -11.316 -14.024 1.131 1.00 0.00 C ATOM 1704 C ASP A 109 -11.878 -13.572 2.484 1.00 0.00 C ATOM 1705 O ASP A 109 -12.622 -14.287 3.125 1.00 0.00 O ATOM 1706 CB ASP A 109 -11.985 -15.324 0.679 1.00 0.00 C ATOM 1707 CG ASP A 109 -13.364 -15.011 0.097 1.00 0.00 C ATOM 1708 OD1 ASP A 109 -13.417 -14.389 -0.952 1.00 0.00 O ATOM 1709 OD2 ASP A 109 -14.345 -15.396 0.712 1.00 0.00 O ATOM 0 H ASP A 109 -9.650 -15.352 1.282 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.494 -13.205 0.434 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.368 -15.823 -0.068 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -12.081 -16.009 1.522 1.00 0.00 H new ATOM 1714 N ILE A 110 -11.542 -12.384 2.917 1.00 0.00 N ATOM 1715 CA ILE A 110 -12.077 -11.890 4.220 1.00 0.00 C ATOM 1716 C ILE A 110 -13.375 -11.117 3.982 1.00 0.00 C ATOM 1717 O ILE A 110 -13.707 -10.201 4.709 1.00 0.00 O ATOM 1718 CB ILE A 110 -11.006 -10.949 4.779 1.00 0.00 C ATOM 1719 CG1 ILE A 110 -10.641 -9.916 3.712 1.00 0.00 C ATOM 1720 CG2 ILE A 110 -9.757 -11.743 5.179 1.00 0.00 C ATOM 1721 CD1 ILE A 110 -10.161 -8.632 4.390 1.00 0.00 C ATOM 0 H ILE A 110 -10.923 -11.738 2.427 1.00 0.00 H new ATOM 0 HA ILE A 110 -12.294 -12.708 4.908 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.396 -10.445 5.663 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -9.861 -10.310 3.061 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -11.506 -9.706 3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -9.004 -11.062 5.575 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -10.020 -12.475 5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -9.357 -12.257 4.305 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -9.901 -7.895 3.630 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -10.955 -8.236 5.023 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.285 -8.849 5.001 1.00 0.00 H new ATOM 1733 N GLY A 111 -14.109 -11.470 2.961 1.00 0.00 N ATOM 1734 CA GLY A 111 -15.377 -10.744 2.671 1.00 0.00 C ATOM 1735 C GLY A 111 -15.048 -9.296 2.305 1.00 0.00 C ATOM 1736 O GLY A 111 -15.899 -8.429 2.329 1.00 0.00 O ATOM 0 H GLY A 111 -13.885 -12.228 2.317 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -15.909 -11.228 1.852 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -16.035 -10.773 3.540 1.00 0.00 H new ATOM 1740 N GLU A 112 -13.814 -9.031 1.976 1.00 0.00 N ATOM 1741 CA GLU A 112 -13.415 -7.641 1.614 1.00 0.00 C ATOM 1742 C GLU A 112 -14.228 -7.130 0.420 1.00 0.00 C ATOM 1743 O GLU A 112 -15.015 -7.847 -0.166 1.00 0.00 O ATOM 1744 CB GLU A 112 -11.939 -7.739 1.240 1.00 0.00 C ATOM 1745 CG GLU A 112 -11.766 -8.815 0.171 1.00 0.00 C ATOM 1746 CD GLU A 112 -11.674 -8.161 -1.208 1.00 0.00 C ATOM 1747 OE1 GLU A 112 -12.421 -7.227 -1.450 1.00 0.00 O ATOM 1748 OE2 GLU A 112 -10.859 -8.605 -2.000 1.00 0.00 O ATOM 0 H GLU A 112 -13.062 -9.719 1.942 1.00 0.00 H new ATOM 0 HA GLU A 112 -13.592 -6.945 2.434 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.580 -6.779 0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.343 -7.983 2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -10.866 -9.397 0.369 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -12.606 -9.509 0.200 1.00 0.00 H new ATOM 1755 N ASN A 113 -14.030 -5.892 0.059 1.00 0.00 N ATOM 1756 CA ASN A 113 -14.771 -5.309 -1.097 1.00 0.00 C ATOM 1757 C ASN A 113 -13.822 -4.435 -1.915 1.00 0.00 C ATOM 1758 O ASN A 113 -13.631 -3.275 -1.623 1.00 0.00 O ATOM 1759 CB ASN A 113 -15.884 -4.466 -0.472 1.00 0.00 C ATOM 1760 CG ASN A 113 -16.525 -5.240 0.683 1.00 0.00 C ATOM 1761 OD1 ASN A 113 -16.004 -5.255 1.782 1.00 0.00 O ATOM 1762 ND2 ASN A 113 -17.637 -5.890 0.481 1.00 0.00 N ATOM 0 H ASN A 113 -13.381 -5.253 0.519 1.00 0.00 H new ATOM 0 HA ASN A 113 -15.175 -6.067 -1.768 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -15.479 -3.521 -0.110 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -16.636 -4.224 -1.223 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -18.069 -6.411 1.244 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -18.075 -5.878 -0.440 1.00 0.00 H new ATOM 1769 N ILE A 114 -13.208 -4.988 -2.924 1.00 0.00 N ATOM 1770 CA ILE A 114 -12.251 -4.190 -3.743 1.00 0.00 C ATOM 1771 C ILE A 114 -12.986 -3.189 -4.630 1.00 0.00 C ATOM 1772 O ILE A 114 -12.912 -1.996 -4.415 1.00 0.00 O ATOM 1773 CB ILE A 114 -11.507 -5.217 -4.594 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -10.973 -6.342 -3.699 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -10.340 -4.537 -5.305 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -10.412 -5.752 -2.404 1.00 0.00 C ATOM 0 H ILE A 114 -13.327 -5.958 -3.217 1.00 0.00 H new ATOM 0 HA ILE A 114 -11.576 -3.605 -3.118 1.00 0.00 H new ATOM 0 HB ILE A 114 -12.191 -5.637 -5.332 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -11.772 -7.048 -3.472 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -10.195 -6.898 -4.223 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -9.808 -5.269 -5.913 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -10.718 -3.740 -5.945 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -9.659 -4.116 -4.565 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -10.034 -6.556 -1.772 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.601 -5.063 -2.639 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -11.201 -5.216 -1.877 1.00 0.00 H new ATOM 1788 N ASP A 115 -13.699 -3.657 -5.620 1.00 0.00 N ATOM 1789 CA ASP A 115 -14.436 -2.711 -6.502 1.00 0.00 C ATOM 1790 C ASP A 115 -15.114 -1.653 -5.643 1.00 0.00 C ATOM 1791 O ASP A 115 -15.367 -0.543 -6.066 1.00 0.00 O ATOM 1792 CB ASP A 115 -15.471 -3.564 -7.238 1.00 0.00 C ATOM 1793 CG ASP A 115 -16.472 -2.654 -7.951 1.00 0.00 C ATOM 1794 OD1 ASP A 115 -16.102 -2.073 -8.959 1.00 0.00 O ATOM 1795 OD2 ASP A 115 -17.592 -2.555 -7.478 1.00 0.00 O ATOM 0 H ASP A 115 -13.802 -4.645 -5.853 1.00 0.00 H new ATOM 0 HA ASP A 115 -13.784 -2.193 -7.205 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -14.975 -4.213 -7.960 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -15.991 -4.212 -6.532 1.00 0.00 H new ATOM 1800 N VAL A 116 -15.398 -2.007 -4.431 1.00 0.00 N ATOM 1801 CA VAL A 116 -16.053 -1.060 -3.495 1.00 0.00 C ATOM 1802 C VAL A 116 -15.018 -0.274 -2.701 1.00 0.00 C ATOM 1803 O VAL A 116 -15.025 0.939 -2.679 1.00 0.00 O ATOM 1804 CB VAL A 116 -16.877 -1.947 -2.565 1.00 0.00 C ATOM 1805 CG1 VAL A 116 -17.683 -1.072 -1.602 1.00 0.00 C ATOM 1806 CG2 VAL A 116 -17.835 -2.803 -3.397 1.00 0.00 C ATOM 0 H VAL A 116 -15.202 -2.928 -4.039 1.00 0.00 H new ATOM 0 HA VAL A 116 -16.662 -0.323 -4.019 1.00 0.00 H new ATOM 0 HB VAL A 116 -16.210 -2.593 -1.995 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -18.271 -1.707 -0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -17.002 -0.460 -1.010 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -18.351 -0.425 -2.171 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -18.424 -3.437 -2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -18.501 -2.155 -3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -17.263 -3.427 -4.083 1.00 0.00 H new ATOM 1816 N PHE A 117 -14.138 -0.959 -2.049 1.00 0.00 N ATOM 1817 CA PHE A 117 -13.096 -0.261 -1.239 1.00 0.00 C ATOM 1818 C PHE A 117 -12.221 0.599 -2.148 1.00 0.00 C ATOM 1819 O PHE A 117 -11.616 1.561 -1.719 1.00 0.00 O ATOM 1820 CB PHE A 117 -12.268 -1.375 -0.595 1.00 0.00 C ATOM 1821 CG PHE A 117 -11.059 -0.779 0.090 1.00 0.00 C ATOM 1822 CD1 PHE A 117 -11.222 0.067 1.194 1.00 0.00 C ATOM 1823 CD2 PHE A 117 -9.775 -1.075 -0.381 1.00 0.00 C ATOM 1824 CE1 PHE A 117 -10.100 0.615 1.827 1.00 0.00 C ATOM 1825 CE2 PHE A 117 -8.653 -0.526 0.252 1.00 0.00 C ATOM 1826 CZ PHE A 117 -8.815 0.319 1.356 1.00 0.00 C ATOM 0 H PHE A 117 -14.087 -1.978 -2.036 1.00 0.00 H new ATOM 0 HA PHE A 117 -13.531 0.400 -0.489 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -12.875 -1.921 0.127 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -11.952 -2.092 -1.353 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -12.213 0.297 1.557 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -9.649 -1.727 -1.233 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -10.226 1.266 2.679 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -7.662 -0.755 -0.112 1.00 0.00 H new ATOM 0 HZ PHE A 117 -7.950 0.742 1.844 1.00 0.00 H new ATOM 1836 N SER A 118 -12.165 0.269 -3.406 1.00 0.00 N ATOM 1837 CA SER A 118 -11.352 1.060 -4.344 1.00 0.00 C ATOM 1838 C SER A 118 -12.220 2.142 -4.940 1.00 0.00 C ATOM 1839 O SER A 118 -11.787 3.248 -5.147 1.00 0.00 O ATOM 1840 CB SER A 118 -10.898 0.071 -5.415 1.00 0.00 C ATOM 1841 OG SER A 118 -10.812 0.738 -6.668 1.00 0.00 O ATOM 0 H SER A 118 -12.655 -0.524 -3.821 1.00 0.00 H new ATOM 0 HA SER A 118 -10.497 1.543 -3.871 1.00 0.00 H new ATOM 0 HB2 SER A 118 -9.929 -0.351 -5.148 1.00 0.00 H new ATOM 0 HB3 SER A 118 -11.601 -0.760 -5.480 1.00 0.00 H new ATOM 0 HG SER A 118 -10.519 0.105 -7.356 1.00 0.00 H new ATOM 1847 N ASP A 119 -13.455 1.821 -5.180 1.00 0.00 N ATOM 1848 CA ASP A 119 -14.395 2.824 -5.748 1.00 0.00 C ATOM 1849 C ASP A 119 -14.803 3.783 -4.650 1.00 0.00 C ATOM 1850 O ASP A 119 -15.031 4.953 -4.871 1.00 0.00 O ATOM 1851 CB ASP A 119 -15.594 2.021 -6.253 1.00 0.00 C ATOM 1852 CG ASP A 119 -16.632 2.971 -6.854 1.00 0.00 C ATOM 1853 OD1 ASP A 119 -16.232 3.881 -7.561 1.00 0.00 O ATOM 1854 OD2 ASP A 119 -17.807 2.772 -6.595 1.00 0.00 O ATOM 0 H ASP A 119 -13.859 0.901 -5.007 1.00 0.00 H new ATOM 0 HA ASP A 119 -13.957 3.412 -6.555 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -15.271 1.298 -7.002 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -16.036 1.454 -5.434 1.00 0.00 H new ATOM 1859 N THR A 120 -14.855 3.285 -3.461 1.00 0.00 N ATOM 1860 CA THR A 120 -15.207 4.144 -2.302 1.00 0.00 C ATOM 1861 C THR A 120 -14.078 5.141 -2.099 1.00 0.00 C ATOM 1862 O THR A 120 -14.282 6.307 -1.828 1.00 0.00 O ATOM 1863 CB THR A 120 -15.317 3.175 -1.120 1.00 0.00 C ATOM 1864 OG1 THR A 120 -16.629 2.634 -1.074 1.00 0.00 O ATOM 1865 CG2 THR A 120 -15.021 3.906 0.187 1.00 0.00 C ATOM 0 H THR A 120 -14.668 2.309 -3.233 1.00 0.00 H new ATOM 0 HA THR A 120 -16.131 4.708 -2.429 1.00 0.00 H new ATOM 0 HB THR A 120 -14.592 2.371 -1.249 1.00 0.00 H new ATOM 0 HG1 THR A 120 -16.663 1.812 -1.606 1.00 0.00 H new ATOM 0 HG21 THR A 120 -15.102 3.208 1.021 1.00 0.00 H new ATOM 0 HG22 THR A 120 -14.012 4.316 0.154 1.00 0.00 H new ATOM 0 HG23 THR A 120 -15.738 4.716 0.321 1.00 0.00 H new ATOM 1873 N ILE A 121 -12.890 4.665 -2.249 1.00 0.00 N ATOM 1874 CA ILE A 121 -11.693 5.527 -2.095 1.00 0.00 C ATOM 1875 C ILE A 121 -11.455 6.314 -3.393 1.00 0.00 C ATOM 1876 O ILE A 121 -11.076 7.468 -3.368 1.00 0.00 O ATOM 1877 CB ILE A 121 -10.569 4.524 -1.799 1.00 0.00 C ATOM 1878 CG1 ILE A 121 -10.127 4.676 -0.344 1.00 0.00 C ATOM 1879 CG2 ILE A 121 -9.368 4.743 -2.721 1.00 0.00 C ATOM 1880 CD1 ILE A 121 -9.370 5.994 -0.171 1.00 0.00 C ATOM 0 H ILE A 121 -12.687 3.692 -2.477 1.00 0.00 H new ATOM 0 HA ILE A 121 -11.776 6.278 -1.309 1.00 0.00 H new ATOM 0 HB ILE A 121 -10.953 3.519 -1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -10.996 4.655 0.314 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -9.490 3.839 -0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -8.591 4.016 -2.485 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -9.678 4.618 -3.758 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -8.978 5.751 -2.578 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -9.056 6.100 0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -8.492 5.997 -0.817 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -10.021 6.826 -0.440 1.00 0.00 H new ATOM 1892 N LYS A 122 -11.686 5.704 -4.526 1.00 0.00 N ATOM 1893 CA LYS A 122 -11.485 6.426 -5.809 1.00 0.00 C ATOM 1894 C LYS A 122 -12.544 7.511 -5.934 1.00 0.00 C ATOM 1895 O LYS A 122 -12.308 8.577 -6.467 1.00 0.00 O ATOM 1896 CB LYS A 122 -11.658 5.369 -6.897 1.00 0.00 C ATOM 1897 CG LYS A 122 -10.276 4.972 -7.412 1.00 0.00 C ATOM 1898 CD LYS A 122 -10.080 3.461 -7.281 1.00 0.00 C ATOM 1899 CE LYS A 122 -9.099 3.175 -6.140 1.00 0.00 C ATOM 1900 NZ LYS A 122 -8.602 1.793 -6.392 1.00 0.00 N ATOM 0 H LYS A 122 -12.004 4.739 -4.615 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.509 6.906 -5.880 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -12.179 4.498 -6.499 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.268 5.760 -7.711 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -10.168 5.271 -8.454 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -9.505 5.497 -6.848 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -11.035 2.974 -7.085 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -9.699 3.050 -8.216 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -8.280 3.894 -6.135 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -9.591 3.246 -5.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -8.148 1.425 -5.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -9.400 1.179 -6.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -7.910 1.809 -7.168 1.00 0.00 H new ATOM 1914 N SER A 123 -13.706 7.246 -5.418 1.00 0.00 N ATOM 1915 CA SER A 123 -14.788 8.256 -5.468 1.00 0.00 C ATOM 1916 C SER A 123 -14.638 9.198 -4.284 1.00 0.00 C ATOM 1917 O SER A 123 -15.239 10.251 -4.223 1.00 0.00 O ATOM 1918 CB SER A 123 -16.074 7.457 -5.347 1.00 0.00 C ATOM 1919 OG SER A 123 -16.311 6.749 -6.557 1.00 0.00 O ATOM 0 H SER A 123 -13.953 6.368 -4.961 1.00 0.00 H new ATOM 0 HA SER A 123 -14.770 8.856 -6.378 1.00 0.00 H new ATOM 0 HB2 SER A 123 -16.003 6.759 -4.513 1.00 0.00 H new ATOM 0 HB3 SER A 123 -16.910 8.124 -5.134 1.00 0.00 H new ATOM 0 HG SER A 123 -16.038 5.814 -6.448 1.00 0.00 H new ATOM 1925 N PHE A 124 -13.823 8.819 -3.346 1.00 0.00 N ATOM 1926 CA PHE A 124 -13.605 9.684 -2.155 1.00 0.00 C ATOM 1927 C PHE A 124 -12.819 10.928 -2.561 1.00 0.00 C ATOM 1928 O PHE A 124 -12.619 11.837 -1.782 1.00 0.00 O ATOM 1929 CB PHE A 124 -12.793 8.826 -1.183 1.00 0.00 C ATOM 1930 CG PHE A 124 -13.415 8.890 0.192 1.00 0.00 C ATOM 1931 CD1 PHE A 124 -13.393 10.089 0.913 1.00 0.00 C ATOM 1932 CD2 PHE A 124 -14.013 7.751 0.744 1.00 0.00 C ATOM 1933 CE1 PHE A 124 -13.969 10.150 2.188 1.00 0.00 C ATOM 1934 CE2 PHE A 124 -14.589 7.811 2.018 1.00 0.00 C ATOM 1935 CZ PHE A 124 -14.567 9.010 2.740 1.00 0.00 C ATOM 0 H PHE A 124 -13.296 7.946 -3.351 1.00 0.00 H new ATOM 0 HA PHE A 124 -14.539 10.024 -1.707 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -12.763 7.794 -1.532 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -11.763 9.180 -1.144 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -12.932 10.967 0.486 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -14.030 6.826 0.187 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -13.952 11.075 2.745 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -15.050 6.932 2.444 1.00 0.00 H new ATOM 0 HZ PHE A 124 -15.011 9.056 3.723 1.00 0.00 H new ATOM 1945 N ALA A 125 -12.376 10.966 -3.783 1.00 0.00 N ATOM 1946 CA ALA A 125 -11.598 12.143 -4.263 1.00 0.00 C ATOM 1947 C ALA A 125 -10.343 12.311 -3.409 1.00 0.00 C ATOM 1948 O ALA A 125 -9.259 11.914 -3.790 1.00 0.00 O ATOM 1949 CB ALA A 125 -12.536 13.336 -4.086 1.00 0.00 C ATOM 0 H ALA A 125 -12.519 10.230 -4.475 1.00 0.00 H new ATOM 0 HA ALA A 125 -11.272 12.038 -5.298 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -12.035 14.245 -4.418 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -13.438 13.181 -4.679 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -12.806 13.434 -3.034 1.00 0.00 H new ATOM 1955 N SER A 126 -10.482 12.887 -2.250 1.00 0.00 N ATOM 1956 CA SER A 126 -9.301 13.071 -1.365 1.00 0.00 C ATOM 1957 C SER A 126 -9.760 13.480 0.035 1.00 0.00 C ATOM 1958 O SER A 126 -9.421 12.854 1.020 1.00 0.00 O ATOM 1959 CB SER A 126 -8.485 14.187 -2.016 1.00 0.00 C ATOM 1960 OG SER A 126 -9.365 15.207 -2.469 1.00 0.00 O ATOM 0 H SER A 126 -11.364 13.239 -1.877 1.00 0.00 H new ATOM 0 HA SER A 126 -8.716 12.158 -1.255 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.772 14.597 -1.301 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.907 13.791 -2.851 1.00 0.00 H new ATOM 0 HG SER A 126 -8.846 15.926 -2.886 1.00 0.00 H new ATOM 1966 N SER A 127 -10.537 14.523 0.131 1.00 0.00 N ATOM 1967 CA SER A 127 -11.029 14.969 1.465 1.00 0.00 C ATOM 1968 C SER A 127 -12.392 14.335 1.755 1.00 0.00 C ATOM 1969 O SER A 127 -13.070 13.868 0.861 1.00 0.00 O ATOM 1970 CB SER A 127 -11.152 16.487 1.356 1.00 0.00 C ATOM 1971 OG SER A 127 -12.480 16.824 0.975 1.00 0.00 O ATOM 0 H SER A 127 -10.853 15.087 -0.658 1.00 0.00 H new ATOM 0 HA SER A 127 -10.361 14.676 2.275 1.00 0.00 H new ATOM 0 HB2 SER A 127 -10.906 16.953 2.310 1.00 0.00 H new ATOM 0 HB3 SER A 127 -10.443 16.869 0.622 1.00 0.00 H new ATOM 0 HG SER A 127 -12.563 17.798 0.906 1.00 0.00 H new ATOM 1977 N GLY A 128 -12.798 14.309 2.994 1.00 0.00 N ATOM 1978 CA GLY A 128 -14.116 13.698 3.331 1.00 0.00 C ATOM 1979 C GLY A 128 -14.959 14.694 4.130 1.00 0.00 C ATOM 1980 O GLY A 128 -14.444 15.619 4.729 1.00 0.00 O ATOM 0 H GLY A 128 -12.276 14.683 3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -14.640 13.414 2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -13.967 12.786 3.910 1.00 0.00 H new ATOM 1984 N LYS A 129 -16.252 14.512 4.146 1.00 0.00 N ATOM 1985 CA LYS A 129 -17.131 15.446 4.909 1.00 0.00 C ATOM 1986 C LYS A 129 -18.449 14.756 5.268 1.00 0.00 C ATOM 1987 O LYS A 129 -19.521 15.263 4.999 1.00 0.00 O ATOM 1988 CB LYS A 129 -17.385 16.619 3.960 1.00 0.00 C ATOM 1989 CG LYS A 129 -18.322 17.627 4.631 1.00 0.00 C ATOM 1990 CD LYS A 129 -19.400 18.062 3.636 1.00 0.00 C ATOM 1991 CE LYS A 129 -19.969 19.419 4.056 1.00 0.00 C ATOM 1992 NZ LYS A 129 -18.904 20.404 3.714 1.00 0.00 N ATOM 0 H LYS A 129 -16.738 13.756 3.663 1.00 0.00 H new ATOM 0 HA LYS A 129 -16.674 15.769 5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -16.442 17.100 3.700 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -17.826 16.259 3.031 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -18.784 17.180 5.512 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -17.756 18.494 4.973 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -18.978 18.128 2.633 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -20.196 17.318 3.599 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -20.896 19.640 3.527 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -20.198 19.439 5.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -18.624 20.923 4.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -18.079 19.903 3.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -19.265 21.074 3.006 1.00 0.00 H new ATOM 2006 N GLU A 130 -18.379 13.604 5.876 1.00 0.00 N ATOM 2007 CA GLU A 130 -19.629 12.882 6.254 1.00 0.00 C ATOM 2008 C GLU A 130 -20.552 12.745 5.039 1.00 0.00 C ATOM 2009 O GLU A 130 -21.349 13.616 4.752 1.00 0.00 O ATOM 2010 CB GLU A 130 -20.282 13.754 7.327 1.00 0.00 C ATOM 2011 CG GLU A 130 -20.338 12.980 8.645 1.00 0.00 C ATOM 2012 CD GLU A 130 -21.674 12.245 8.749 1.00 0.00 C ATOM 2013 OE1 GLU A 130 -22.650 12.753 8.220 1.00 0.00 O ATOM 2014 OE2 GLU A 130 -21.700 11.187 9.356 1.00 0.00 O ATOM 0 H GLU A 130 -17.511 13.131 6.128 1.00 0.00 H new ATOM 0 HA GLU A 130 -19.428 11.873 6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -19.715 14.676 7.457 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -21.287 14.040 7.017 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -19.514 12.268 8.696 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -20.221 13.664 9.486 1.00 0.00 H new ATOM 2021 N LYS A 131 -20.451 11.657 4.325 1.00 0.00 N ATOM 2022 CA LYS A 131 -21.322 11.463 3.130 1.00 0.00 C ATOM 2023 C LYS A 131 -22.798 11.550 3.532 1.00 0.00 C ATOM 2024 O LYS A 131 -23.131 11.955 4.627 1.00 0.00 O ATOM 2025 CB LYS A 131 -20.988 10.061 2.621 1.00 0.00 C ATOM 2026 CG LYS A 131 -21.315 9.967 1.128 1.00 0.00 C ATOM 2027 CD LYS A 131 -20.199 9.210 0.407 1.00 0.00 C ATOM 2028 CE LYS A 131 -19.972 9.829 -0.973 1.00 0.00 C ATOM 2029 NZ LYS A 131 -20.754 8.975 -1.910 1.00 0.00 N ATOM 0 H LYS A 131 -19.803 10.893 4.517 1.00 0.00 H new ATOM 0 HA LYS A 131 -21.154 12.224 2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -19.933 9.844 2.787 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -21.558 9.316 3.176 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -22.267 9.455 0.985 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -21.423 10.966 0.705 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -19.280 9.252 0.992 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -20.465 8.158 0.306 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -20.314 10.864 -1.003 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -18.914 9.835 -1.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -20.648 9.336 -2.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -20.402 7.997 -1.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -21.758 8.994 -1.641 1.00 0.00 H new ATOM 2043 N LEU A 132 -23.686 11.171 2.652 1.00 0.00 N ATOM 2044 CA LEU A 132 -25.140 11.230 2.983 1.00 0.00 C ATOM 2045 C LEU A 132 -25.800 9.877 2.707 1.00 0.00 C ATOM 2046 O LEU A 132 -25.525 9.232 1.714 1.00 0.00 O ATOM 2047 CB LEU A 132 -25.713 12.306 2.061 1.00 0.00 C ATOM 2048 CG LEU A 132 -25.463 13.684 2.672 1.00 0.00 C ATOM 2049 CD1 LEU A 132 -24.114 14.218 2.191 1.00 0.00 C ATOM 2050 CD2 LEU A 132 -26.574 14.643 2.240 1.00 0.00 C ATOM 0 H LEU A 132 -23.468 10.823 1.718 1.00 0.00 H new ATOM 0 HA LEU A 132 -25.316 11.460 4.034 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -25.248 12.243 1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -26.782 12.147 1.919 1.00 0.00 H new ATOM 0 HG LEU A 132 -25.455 13.603 3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -23.936 15.201 2.627 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -23.322 13.535 2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -24.121 14.299 1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -26.396 15.626 2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -26.582 14.724 1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -27.536 14.263 2.583 1.00 0.00 H new ATOM 2062 N GLU A 133 -26.671 9.441 3.577 1.00 0.00 N ATOM 2063 CA GLU A 133 -27.347 8.130 3.361 1.00 0.00 C ATOM 2064 C GLU A 133 -28.868 8.306 3.396 1.00 0.00 C ATOM 2065 O GLU A 133 -29.518 7.534 4.081 1.00 0.00 O ATOM 2066 CB GLU A 133 -26.882 7.252 4.523 1.00 0.00 C ATOM 2067 CG GLU A 133 -27.563 7.713 5.814 1.00 0.00 C ATOM 2068 CD GLU A 133 -26.638 7.450 7.003 1.00 0.00 C ATOM 2069 OE1 GLU A 133 -25.435 7.438 6.803 1.00 0.00 O ATOM 2070 OE2 GLU A 133 -27.150 7.266 8.096 1.00 0.00 O ATOM 0 H GLU A 133 -26.943 9.935 4.427 1.00 0.00 H new ATOM 0 HA GLU A 133 -27.101 7.692 2.394 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -27.124 6.208 4.324 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -25.799 7.313 4.629 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -27.800 8.775 5.753 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -28.506 7.183 5.949 1.00 0.00 H new TER 2077 GLU A 133