USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 939 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 HIS : no HE2:sc= -1.87 K(o=-1.9,f=-8.6!) USER MOD Set 1.2: A 95 HIS : no HD1:sc= -1.23 K(o=-1.9,f=-2.6!) USER MOD Set 1.3: A 99 LYS NZ :NH3+ 178:sc= 1.17 (180deg=1.22) USER MOD Set 2.1: A 69 HIS : no HD1:sc= 0.37 K(o=0.36,f=-4.5!) USER MOD Set 2.2: A 72 ASN : amide:sc= -0.0113 X(o=0.36,f=-0.073) USER MOD Set 3.1: A 56 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 61 MET CE :methyl 170:sc= 0 (180deg=-0.00733) USER MOD Set 4.1: A 35 ASN : amide:sc= -0.662 K(o=-0.66,f=-3.2!) USER MOD Set 4.2: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -1.85! K(o=-1.8!,f=-0.037) USER MOD Single : A 5 MET CE :methyl -162:sc= 0 (180deg=-0.118) USER MOD Single : A 6 LYS NZ :NH3+ 167:sc= 0.401 (180deg=0.161) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0.455 K(o=0.45,f=-0.46) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -176:sc= 1.22 (180deg=1.02) USER MOD Single : A 21 LYS NZ :NH3+ -110:sc= 1.31 (180deg=0.0738) USER MOD Single : A 23 MET CE :methyl -154:sc= -0.329 (180deg=-0.615) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -128:sc= -0.0921 USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 16:sc= 1.19 USER MOD Single : A 44 LYS NZ :NH3+ -164:sc= 0.986 (180deg=0.787) USER MOD Single : A 45 ASN : amide:sc= 0.247 K(o=0.25,f=-3.6!) USER MOD Single : A 48 THR OG1 : rot -67:sc= 0.315 USER MOD Single : A 53 MET CE :methyl -163:sc=-0.00433 (180deg=-0.136) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0379 USER MOD Single : A 58 LYS NZ :NH3+ 152:sc= 1.11 (180deg=-0.281) USER MOD Single : A 60 ASN : amide:sc= -0.159 K(o=-0.16,f=-2!) USER MOD Single : A 74 MET CE :methyl -136:sc= -0.699 (180deg=-2.43) USER MOD Single : A 78 LYS NZ :NH3+ -140:sc= 0.89 (180deg=-0.844) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= -1.03 K(o=-1,f=-4.3!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 173:sc= -0.269 (180deg=-0.524) USER MOD Single : A 88 GLN : amide:sc= 0.397 X(o=0.4,f=-0.044) USER MOD Single : A 89 GLN : amide:sc= -0.0328 X(o=-0.033,f=-0.059) USER MOD Single : A 100 SER OG : rot 158:sc= 0.0252 USER MOD Single : A 101 THR OG1 : rot 171:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.207 X(o=-0.21,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot -10:sc= 0.0771 USER MOD Single : A 116 THR OG1 : rot 86:sc= 1.23 USER MOD Single : A 119 LYS NZ :NH3+ 137:sc= 1.2 (180deg=0.1) USER MOD Single : A 123 HIS : no HD1:sc= -0.0354 X(o=-0.035,f=-0.45) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -0.423 X(o=-0.42,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 12 N GLN A 2 12.120 -9.872 2.597 1.00 0.00 N ATOM 13 CA GLN A 2 10.750 -10.343 2.854 1.00 0.00 C ATOM 14 C GLN A 2 10.367 -10.396 4.335 1.00 0.00 C ATOM 15 O GLN A 2 9.188 -10.242 4.664 1.00 0.00 O ATOM 16 CB GLN A 2 10.589 -11.738 2.247 1.00 0.00 C ATOM 17 CG GLN A 2 10.183 -11.634 0.782 1.00 0.00 C ATOM 18 CD GLN A 2 10.639 -12.860 0.008 1.00 0.00 C ATOM 19 OE1 GLN A 2 11.774 -12.924 -0.459 1.00 0.00 O ATOM 20 NE2 GLN A 2 9.836 -13.908 -0.031 1.00 0.00 N ATOM 0 HA GLN A 2 10.081 -9.615 2.394 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.525 -12.290 2.334 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.836 -12.298 2.801 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.100 -11.532 0.706 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.619 -10.737 0.342 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.896 -13.845 0.359 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.156 -14.780 -0.451 1.00 0.00 H new ATOM 29 N GLU A 3 11.342 -10.605 5.224 1.00 0.00 N ATOM 30 CA GLU A 3 11.185 -10.538 6.669 1.00 0.00 C ATOM 31 C GLU A 3 10.456 -9.240 7.034 1.00 0.00 C ATOM 32 O GLU A 3 9.277 -9.241 7.396 1.00 0.00 O ATOM 33 CB GLU A 3 12.578 -10.653 7.307 1.00 0.00 C ATOM 34 CG GLU A 3 12.505 -10.686 8.835 1.00 0.00 C ATOM 35 CD GLU A 3 13.883 -10.935 9.440 1.00 0.00 C ATOM 36 OE1 GLU A 3 14.325 -12.104 9.465 1.00 0.00 O ATOM 37 OE2 GLU A 3 14.536 -9.972 9.915 1.00 0.00 O ATOM 0 H GLU A 3 12.295 -10.833 4.941 1.00 0.00 H new ATOM 0 HA GLU A 3 10.577 -11.357 7.052 1.00 0.00 H new ATOM 0 HB2 GLU A 3 13.068 -11.558 6.947 1.00 0.00 H new ATOM 0 HB3 GLU A 3 13.193 -9.810 6.991 1.00 0.00 H new ATOM 0 HG2 GLU A 3 12.106 -9.741 9.205 1.00 0.00 H new ATOM 0 HG3 GLU A 3 11.817 -11.469 9.153 1.00 0.00 H new ATOM 44 N VAL A 4 11.154 -8.121 6.851 1.00 0.00 N ATOM 45 CA VAL A 4 10.642 -6.796 7.127 1.00 0.00 C ATOM 46 C VAL A 4 9.499 -6.424 6.199 1.00 0.00 C ATOM 47 O VAL A 4 8.563 -5.764 6.633 1.00 0.00 O ATOM 48 CB VAL A 4 11.790 -5.791 7.074 1.00 0.00 C ATOM 49 CG1 VAL A 4 12.603 -5.787 5.785 1.00 0.00 C ATOM 50 CG2 VAL A 4 11.283 -4.385 7.377 1.00 0.00 C ATOM 0 H VAL A 4 12.111 -8.119 6.499 1.00 0.00 H new ATOM 0 HA VAL A 4 10.218 -6.781 8.131 1.00 0.00 H new ATOM 0 HB VAL A 4 12.484 -6.126 7.845 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.391 -5.037 5.854 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.049 -6.770 5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.951 -5.551 4.944 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.114 -3.681 7.335 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.531 -4.103 6.640 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.840 -4.365 8.373 1.00 0.00 H new ATOM 60 N MET A 5 9.573 -6.831 4.935 1.00 0.00 N ATOM 61 CA MET A 5 8.562 -6.475 3.933 1.00 0.00 C ATOM 62 C MET A 5 7.157 -6.854 4.422 1.00 0.00 C ATOM 63 O MET A 5 6.238 -6.035 4.391 1.00 0.00 O ATOM 64 CB MET A 5 8.849 -7.107 2.555 1.00 0.00 C ATOM 65 CG MET A 5 8.741 -6.126 1.381 1.00 0.00 C ATOM 66 SD MET A 5 7.477 -4.827 1.514 1.00 0.00 S ATOM 67 CE MET A 5 6.896 -4.729 -0.188 1.00 0.00 C ATOM 0 H MET A 5 10.329 -7.413 4.574 1.00 0.00 H new ATOM 0 HA MET A 5 8.610 -5.394 3.803 1.00 0.00 H new ATOM 0 HB2 MET A 5 9.851 -7.535 2.565 1.00 0.00 H new ATOM 0 HB3 MET A 5 8.152 -7.930 2.392 1.00 0.00 H new ATOM 0 HG2 MET A 5 9.710 -5.645 1.250 1.00 0.00 H new ATOM 0 HG3 MET A 5 8.545 -6.700 0.475 1.00 0.00 H new ATOM 0 HE1 MET A 5 6.368 -3.787 -0.339 1.00 0.00 H new ATOM 0 HE2 MET A 5 7.747 -4.780 -0.867 1.00 0.00 H new ATOM 0 HE3 MET A 5 6.220 -5.560 -0.390 1.00 0.00 H new ATOM 77 N LYS A 6 6.989 -8.069 4.957 1.00 0.00 N ATOM 78 CA LYS A 6 5.718 -8.444 5.570 1.00 0.00 C ATOM 79 C LYS A 6 5.396 -7.534 6.741 1.00 0.00 C ATOM 80 O LYS A 6 4.264 -7.070 6.858 1.00 0.00 O ATOM 81 CB LYS A 6 5.754 -9.866 6.110 1.00 0.00 C ATOM 82 CG LYS A 6 5.700 -10.939 5.025 1.00 0.00 C ATOM 83 CD LYS A 6 5.624 -12.315 5.702 1.00 0.00 C ATOM 84 CE LYS A 6 6.993 -12.963 5.897 1.00 0.00 C ATOM 85 NZ LYS A 6 8.005 -12.120 6.566 1.00 0.00 N ATOM 0 H LYS A 6 7.705 -8.795 4.977 1.00 0.00 H new ATOM 0 HA LYS A 6 4.963 -8.358 4.788 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.664 -10.000 6.695 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.914 -10.008 6.790 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.833 -10.785 4.383 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.583 -10.879 4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.137 -12.210 6.671 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.999 -12.975 5.101 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.864 -13.876 6.478 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.379 -13.258 4.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.815 -12.708 6.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.327 -11.379 5.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.587 -11.679 7.410 1.00 0.00 H new ATOM 99 N ASN A 7 6.348 -7.326 7.646 1.00 0.00 N ATOM 100 CA ASN A 7 6.095 -6.588 8.873 1.00 0.00 C ATOM 101 C ASN A 7 5.693 -5.141 8.592 1.00 0.00 C ATOM 102 O ASN A 7 4.862 -4.575 9.298 1.00 0.00 O ATOM 103 CB ASN A 7 7.344 -6.591 9.742 1.00 0.00 C ATOM 104 CG ASN A 7 6.987 -6.199 11.170 1.00 0.00 C ATOM 105 OD1 ASN A 7 6.050 -6.732 11.767 1.00 0.00 O ATOM 106 ND2 ASN A 7 7.723 -5.281 11.755 1.00 0.00 N ATOM 0 H ASN A 7 7.306 -7.662 7.549 1.00 0.00 H new ATOM 0 HA ASN A 7 5.270 -7.081 9.388 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.802 -7.580 9.731 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.079 -5.895 9.338 1.00 0.00 H new ATOM 0 HD21 ASN A 7 7.522 -5.001 12.715 1.00 0.00 H new ATOM 0 HD22 ASN A 7 8.496 -4.848 11.249 1.00 0.00 H new ATOM 113 N LEU A 8 6.259 -4.543 7.548 1.00 0.00 N ATOM 114 CA LEU A 8 5.874 -3.250 7.012 1.00 0.00 C ATOM 115 C LEU A 8 4.414 -3.309 6.592 1.00 0.00 C ATOM 116 O LEU A 8 3.603 -2.539 7.102 1.00 0.00 O ATOM 117 CB LEU A 8 6.761 -2.908 5.804 1.00 0.00 C ATOM 118 CG LEU A 8 8.144 -2.371 6.182 1.00 0.00 C ATOM 119 CD1 LEU A 8 9.080 -2.420 4.972 1.00 0.00 C ATOM 120 CD2 LEU A 8 8.041 -0.923 6.658 1.00 0.00 C ATOM 0 H LEU A 8 7.031 -4.968 7.034 1.00 0.00 H new ATOM 0 HA LEU A 8 6.003 -2.477 7.770 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.884 -3.801 5.191 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.250 -2.167 5.189 1.00 0.00 H new ATOM 0 HG LEU A 8 8.540 -2.995 6.983 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.060 -2.035 5.254 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.179 -3.450 4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.668 -1.809 4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.032 -0.556 6.923 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.627 -0.306 5.860 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.390 -0.872 7.531 1.00 0.00 H new ATOM 132 N SER A 9 4.066 -4.257 5.720 1.00 0.00 N ATOM 133 CA SER A 9 2.701 -4.423 5.225 1.00 0.00 C ATOM 134 C SER A 9 1.687 -4.679 6.347 1.00 0.00 C ATOM 135 O SER A 9 0.531 -4.254 6.266 1.00 0.00 O ATOM 136 CB SER A 9 2.665 -5.576 4.216 1.00 0.00 C ATOM 137 OG SER A 9 3.103 -5.171 2.932 1.00 0.00 O ATOM 0 H SER A 9 4.727 -4.933 5.337 1.00 0.00 H new ATOM 0 HA SER A 9 2.411 -3.487 4.747 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.295 -6.391 4.574 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.649 -5.965 4.146 1.00 0.00 H new ATOM 0 HG SER A 9 3.067 -5.934 2.318 1.00 0.00 H new ATOM 143 N LEU A 10 2.124 -5.345 7.412 1.00 0.00 N ATOM 144 CA LEU A 10 1.320 -5.732 8.546 1.00 0.00 C ATOM 145 C LEU A 10 0.961 -4.491 9.324 1.00 0.00 C ATOM 146 O LEU A 10 -0.188 -4.257 9.687 1.00 0.00 O ATOM 147 CB LEU A 10 2.158 -6.677 9.419 1.00 0.00 C ATOM 148 CG LEU A 10 1.389 -7.188 10.639 1.00 0.00 C ATOM 149 CD1 LEU A 10 0.466 -8.327 10.198 1.00 0.00 C ATOM 150 CD2 LEU A 10 2.402 -7.664 11.679 1.00 0.00 C ATOM 0 H LEU A 10 3.096 -5.639 7.503 1.00 0.00 H new ATOM 0 HA LEU A 10 0.406 -6.235 8.230 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.485 -7.526 8.819 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.056 -6.157 9.752 1.00 0.00 H new ATOM 0 HG LEU A 10 0.776 -6.402 11.080 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.088 -8.700 11.059 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.234 -7.959 9.448 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.062 -9.134 9.772 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.874 -8.033 12.559 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.008 -8.466 11.256 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.047 -6.833 11.965 1.00 0.00 H new ATOM 162 N ASN A 11 1.994 -3.707 9.603 1.00 0.00 N ATOM 163 CA ASN A 11 1.902 -2.541 10.437 1.00 0.00 C ATOM 164 C ASN A 11 1.249 -1.386 9.707 1.00 0.00 C ATOM 165 O ASN A 11 0.590 -0.568 10.340 1.00 0.00 O ATOM 166 CB ASN A 11 3.299 -2.144 10.883 1.00 0.00 C ATOM 167 CG ASN A 11 3.704 -2.941 12.107 1.00 0.00 C ATOM 168 OD1 ASN A 11 3.081 -2.841 13.160 1.00 0.00 O ATOM 169 ND2 ASN A 11 4.693 -3.801 12.014 1.00 0.00 N ATOM 0 H ASN A 11 2.933 -3.877 9.243 1.00 0.00 H new ATOM 0 HA ASN A 11 1.282 -2.779 11.301 1.00 0.00 H new ATOM 0 HB2 ASN A 11 4.010 -2.318 10.075 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.327 -1.078 11.108 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.940 -4.382 12.815 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.213 -3.887 11.141 1.00 0.00 H new ATOM 176 N PHE A 12 1.401 -1.327 8.388 1.00 0.00 N ATOM 177 CA PHE A 12 0.615 -0.476 7.521 1.00 0.00 C ATOM 178 C PHE A 12 -0.864 -0.809 7.730 1.00 0.00 C ATOM 179 O PHE A 12 -1.647 0.056 8.110 1.00 0.00 O ATOM 180 CB PHE A 12 1.085 -0.692 6.081 1.00 0.00 C ATOM 181 CG PHE A 12 0.294 0.060 5.030 1.00 0.00 C ATOM 182 CD1 PHE A 12 0.543 1.427 4.809 1.00 0.00 C ATOM 183 CD2 PHE A 12 -0.681 -0.603 4.261 1.00 0.00 C ATOM 184 CE1 PHE A 12 -0.204 2.136 3.854 1.00 0.00 C ATOM 185 CE2 PHE A 12 -1.405 0.100 3.282 1.00 0.00 C ATOM 186 CZ PHE A 12 -1.178 1.473 3.092 1.00 0.00 C ATOM 0 H PHE A 12 2.092 -1.885 7.887 1.00 0.00 H new ATOM 0 HA PHE A 12 0.745 0.582 7.750 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.131 -0.396 6.008 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.039 -1.757 5.856 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.311 1.933 5.375 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.873 -1.653 4.423 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.029 3.191 3.706 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.135 -0.416 2.676 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.753 2.019 2.359 1.00 0.00 H new ATOM 196 N GLY A 13 -1.231 -2.088 7.608 1.00 0.00 N ATOM 197 CA GLY A 13 -2.587 -2.571 7.833 1.00 0.00 C ATOM 198 C GLY A 13 -3.098 -2.440 9.274 1.00 0.00 C ATOM 199 O GLY A 13 -4.255 -2.778 9.518 1.00 0.00 O ATOM 0 H GLY A 13 -0.578 -2.826 7.345 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.263 -2.026 7.174 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.635 -3.620 7.542 1.00 0.00 H new ATOM 203 N LYS A 14 -2.314 -1.944 10.244 1.00 0.00 N ATOM 204 CA LYS A 14 -2.763 -1.819 11.640 1.00 0.00 C ATOM 205 C LYS A 14 -4.021 -0.969 11.778 1.00 0.00 C ATOM 206 O LYS A 14 -4.853 -1.268 12.632 1.00 0.00 O ATOM 207 CB LYS A 14 -1.648 -1.268 12.545 1.00 0.00 C ATOM 208 CG LYS A 14 -0.595 -2.335 12.889 1.00 0.00 C ATOM 209 CD LYS A 14 -0.973 -3.119 14.137 1.00 0.00 C ATOM 210 CE LYS A 14 0.106 -4.101 14.609 1.00 0.00 C ATOM 211 NZ LYS A 14 -0.223 -4.714 15.919 1.00 0.00 N ATOM 0 H LYS A 14 -1.360 -1.621 10.085 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.012 -2.828 11.968 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.162 -0.428 12.049 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.087 -0.884 13.466 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.484 -3.020 12.049 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.372 -1.856 13.040 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.188 -2.417 14.943 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.892 -3.672 13.942 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.230 -4.887 13.864 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.060 -3.580 14.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.535 -5.370 16.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.315 -3.968 16.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.120 -5.235 15.843 1.00 0.00 H new ATOM 225 N ALA A 15 -4.181 0.064 10.949 1.00 0.00 N ATOM 226 CA ALA A 15 -5.324 0.968 11.025 1.00 0.00 C ATOM 227 C ALA A 15 -6.414 0.641 9.994 1.00 0.00 C ATOM 228 O ALA A 15 -7.321 1.457 9.806 1.00 0.00 O ATOM 229 CB ALA A 15 -4.832 2.410 10.887 1.00 0.00 C ATOM 0 H ALA A 15 -3.520 0.295 10.207 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.797 0.836 11.998 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.681 3.091 10.943 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.133 2.635 11.693 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.331 2.533 9.927 1.00 0.00 H new ATOM 235 N LEU A 16 -6.331 -0.508 9.306 1.00 0.00 N ATOM 236 CA LEU A 16 -7.267 -0.944 8.270 1.00 0.00 C ATOM 237 C LEU A 16 -8.659 -0.920 8.852 1.00 0.00 C ATOM 238 O LEU A 16 -9.542 -0.274 8.291 1.00 0.00 O ATOM 239 CB LEU A 16 -6.862 -2.364 7.792 1.00 0.00 C ATOM 240 CG LEU A 16 -7.892 -3.259 7.063 1.00 0.00 C ATOM 241 CD1 LEU A 16 -8.650 -4.258 7.941 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.710 -2.501 6.030 1.00 0.00 C ATOM 0 H LEU A 16 -5.581 -1.181 9.465 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.243 -0.282 7.404 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.005 -2.250 7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.517 -2.914 8.667 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.294 -3.950 6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.344 -4.831 7.325 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.941 -4.936 8.416 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.206 -3.719 8.708 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.414 -3.182 5.553 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.258 -1.696 6.519 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.044 -2.080 5.276 1.00 0.00 H new ATOM 254 N ASP A 17 -8.861 -1.615 9.963 1.00 0.00 N ATOM 255 CA ASP A 17 -10.214 -1.857 10.423 1.00 0.00 C ATOM 256 C ASP A 17 -10.815 -0.570 10.981 1.00 0.00 C ATOM 257 O ASP A 17 -12.008 -0.325 10.857 1.00 0.00 O ATOM 258 CB ASP A 17 -10.175 -2.899 11.536 1.00 0.00 C ATOM 259 CG ASP A 17 -11.512 -3.612 11.638 1.00 0.00 C ATOM 260 OD1 ASP A 17 -11.792 -4.429 10.730 1.00 0.00 O ATOM 261 OD2 ASP A 17 -12.266 -3.355 12.600 1.00 0.00 O ATOM 0 H ASP A 17 -8.124 -2.011 10.547 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.821 -2.208 9.588 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.384 -3.622 11.339 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.938 -2.418 12.485 1.00 0.00 H new ATOM 266 N GLU A 18 -9.967 0.296 11.534 1.00 0.00 N ATOM 267 CA GLU A 18 -10.362 1.642 11.927 1.00 0.00 C ATOM 268 C GLU A 18 -10.899 2.367 10.699 1.00 0.00 C ATOM 269 O GLU A 18 -12.075 2.712 10.673 1.00 0.00 O ATOM 270 CB GLU A 18 -9.247 2.443 12.588 1.00 0.00 C ATOM 271 CG GLU A 18 -8.698 1.731 13.819 1.00 0.00 C ATOM 272 CD GLU A 18 -9.625 1.688 15.035 1.00 0.00 C ATOM 273 OE1 GLU A 18 -10.473 2.599 15.187 1.00 0.00 O ATOM 274 OE2 GLU A 18 -9.441 0.834 15.926 1.00 0.00 O ATOM 0 H GLU A 18 -8.988 0.081 11.721 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.135 1.550 12.690 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.442 2.606 11.872 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.624 3.425 12.873 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.447 0.707 13.541 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.768 2.218 14.112 1.00 0.00 H new ATOM 281 N CYS A 19 -10.057 2.522 9.665 1.00 0.00 N ATOM 282 CA CYS A 19 -10.397 3.225 8.430 1.00 0.00 C ATOM 283 C CYS A 19 -11.683 2.618 7.832 1.00 0.00 C ATOM 284 O CYS A 19 -12.553 3.343 7.362 1.00 0.00 O ATOM 285 CB CYS A 19 -9.245 3.064 7.404 1.00 0.00 C ATOM 286 SG CYS A 19 -7.784 4.112 7.542 1.00 0.00 S ATOM 0 H CYS A 19 -9.106 2.154 9.670 1.00 0.00 H new ATOM 0 HA CYS A 19 -10.550 4.281 8.650 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -8.910 2.028 7.449 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.667 3.220 6.411 1.00 0.00 H new ATOM 291 N LYS A 20 -11.828 1.283 7.872 1.00 0.00 N ATOM 292 CA LYS A 20 -13.002 0.556 7.412 1.00 0.00 C ATOM 293 C LYS A 20 -14.235 1.125 8.083 1.00 0.00 C ATOM 294 O LYS A 20 -15.124 1.581 7.375 1.00 0.00 O ATOM 295 CB LYS A 20 -12.870 -0.939 7.738 1.00 0.00 C ATOM 296 CG LYS A 20 -12.307 -1.804 6.630 1.00 0.00 C ATOM 297 CD LYS A 20 -11.775 -3.189 6.997 1.00 0.00 C ATOM 298 CE LYS A 20 -12.739 -4.328 7.307 1.00 0.00 C ATOM 299 NZ LYS A 20 -13.503 -4.202 8.570 1.00 0.00 N ATOM 0 H LYS A 20 -11.102 0.668 8.239 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.089 0.665 6.331 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.234 -1.046 8.617 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.854 -1.322 8.009 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.087 -1.935 5.880 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.497 -1.251 6.154 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.140 -3.519 6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.130 -3.066 7.867 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.448 -4.413 6.483 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.173 -5.259 7.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.075 -5.058 8.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.843 -4.087 9.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.128 -3.373 8.516 1.00 0.00 H new ATOM 313 N LYS A 21 -14.326 1.093 9.412 1.00 0.00 N ATOM 314 CA LYS A 21 -15.558 1.550 10.045 1.00 0.00 C ATOM 315 C LYS A 21 -15.709 3.068 9.893 1.00 0.00 C ATOM 316 O LYS A 21 -16.822 3.539 9.685 1.00 0.00 O ATOM 317 CB LYS A 21 -15.597 1.044 11.489 1.00 0.00 C ATOM 318 CG LYS A 21 -15.993 -0.447 11.564 1.00 0.00 C ATOM 319 CD LYS A 21 -14.947 -1.339 12.237 1.00 0.00 C ATOM 320 CE LYS A 21 -14.676 -0.927 13.684 1.00 0.00 C ATOM 321 NZ LYS A 21 -13.701 -1.835 14.313 1.00 0.00 N ATOM 0 H LYS A 21 -13.595 0.770 10.046 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.432 1.130 9.547 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.619 1.184 11.950 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.308 1.638 12.063 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.934 -0.535 12.108 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.173 -0.815 10.554 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.287 -2.374 12.214 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.017 -1.296 11.669 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.298 0.095 13.711 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.607 -0.937 14.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.180 -2.417 15.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.284 -2.453 13.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.949 -1.277 14.766 1.00 0.00 H new ATOM 335 N GLU A 22 -14.611 3.826 9.905 1.00 0.00 N ATOM 336 CA GLU A 22 -14.600 5.273 9.717 1.00 0.00 C ATOM 337 C GLU A 22 -15.182 5.723 8.376 1.00 0.00 C ATOM 338 O GLU A 22 -15.752 6.808 8.293 1.00 0.00 O ATOM 339 CB GLU A 22 -13.150 5.758 9.807 1.00 0.00 C ATOM 340 CG GLU A 22 -12.654 5.758 11.251 1.00 0.00 C ATOM 341 CD GLU A 22 -11.251 6.331 11.380 1.00 0.00 C ATOM 342 OE1 GLU A 22 -10.367 5.950 10.582 1.00 0.00 O ATOM 343 OE2 GLU A 22 -11.021 7.164 12.293 1.00 0.00 O ATOM 0 H GLU A 22 -13.680 3.436 10.050 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.231 5.703 10.495 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.511 5.116 9.201 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.074 6.764 9.394 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.339 6.339 11.868 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.664 4.738 11.636 1.00 0.00 H new ATOM 350 N MET A 23 -15.009 4.936 7.318 1.00 0.00 N ATOM 351 CA MET A 23 -15.380 5.291 5.951 1.00 0.00 C ATOM 352 C MET A 23 -16.515 4.401 5.438 1.00 0.00 C ATOM 353 O MET A 23 -16.889 4.511 4.269 1.00 0.00 O ATOM 354 CB MET A 23 -14.137 5.156 5.061 1.00 0.00 C ATOM 355 CG MET A 23 -12.908 5.920 5.565 1.00 0.00 C ATOM 356 SD MET A 23 -11.341 5.181 5.059 1.00 0.00 S ATOM 357 CE MET A 23 -11.347 5.444 3.278 1.00 0.00 C ATOM 0 H MET A 23 -14.595 4.007 7.390 1.00 0.00 H new ATOM 0 HA MET A 23 -15.743 6.318 5.927 1.00 0.00 H new ATOM 0 HB2 MET A 23 -13.882 4.100 4.973 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.383 5.509 4.059 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.952 6.945 5.198 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.942 5.969 6.653 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.732 4.684 2.796 1.00 0.00 H new ATOM 0 HE2 MET A 23 -12.368 5.376 2.904 1.00 0.00 H new ATOM 0 HE3 MET A 23 -10.944 6.432 3.055 1.00 0.00 H new ATOM 367 N THR A 24 -17.033 3.510 6.291 1.00 0.00 N ATOM 368 CA THR A 24 -17.832 2.345 5.936 1.00 0.00 C ATOM 369 C THR A 24 -17.248 1.624 4.712 1.00 0.00 C ATOM 370 O THR A 24 -17.752 1.774 3.594 1.00 0.00 O ATOM 371 CB THR A 24 -19.299 2.754 5.747 1.00 0.00 C ATOM 372 OG1 THR A 24 -19.770 3.535 6.829 1.00 0.00 O ATOM 373 CG2 THR A 24 -20.213 1.541 5.578 1.00 0.00 C ATOM 0 H THR A 24 -16.896 3.592 7.298 1.00 0.00 H new ATOM 0 HA THR A 24 -17.799 1.624 6.753 1.00 0.00 H new ATOM 0 HB THR A 24 -19.328 3.350 4.835 1.00 0.00 H new ATOM 0 HG1 THR A 24 -20.706 3.778 6.674 1.00 0.00 H new ATOM 0 HG21 THR A 24 -21.242 1.876 5.447 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.903 0.971 4.702 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.147 0.909 6.464 1.00 0.00 H new ATOM 381 N LEU A 25 -16.194 0.832 4.930 1.00 0.00 N ATOM 382 CA LEU A 25 -15.665 -0.113 3.956 1.00 0.00 C ATOM 383 C LEU A 25 -15.815 -1.500 4.564 1.00 0.00 C ATOM 384 O LEU A 25 -15.855 -1.656 5.788 1.00 0.00 O ATOM 385 CB LEU A 25 -14.191 0.152 3.601 1.00 0.00 C ATOM 386 CG LEU A 25 -13.769 1.625 3.534 1.00 0.00 C ATOM 387 CD1 LEU A 25 -12.266 1.711 3.269 1.00 0.00 C ATOM 388 CD2 LEU A 25 -14.510 2.423 2.459 1.00 0.00 C ATOM 0 H LEU A 25 -15.677 0.834 5.809 1.00 0.00 H new ATOM 0 HA LEU A 25 -16.218 -0.012 3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.565 -0.351 4.337 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.982 -0.309 2.636 1.00 0.00 H new ATOM 0 HG LEU A 25 -14.028 2.067 4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.964 2.757 3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.725 1.214 4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.035 1.223 2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -14.162 3.456 2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.316 1.983 1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.581 2.399 2.662 1.00 0.00 H new ATOM 400 N THR A 26 -15.899 -2.501 3.706 1.00 0.00 N ATOM 401 CA THR A 26 -16.429 -3.809 4.053 1.00 0.00 C ATOM 402 C THR A 26 -15.303 -4.740 4.470 1.00 0.00 C ATOM 403 O THR A 26 -14.160 -4.546 4.064 1.00 0.00 O ATOM 404 CB THR A 26 -17.156 -4.320 2.802 1.00 0.00 C ATOM 405 OG1 THR A 26 -16.278 -4.304 1.687 1.00 0.00 O ATOM 406 CG2 THR A 26 -18.342 -3.408 2.468 1.00 0.00 C ATOM 0 H THR A 26 -15.597 -2.428 2.735 1.00 0.00 H new ATOM 0 HA THR A 26 -17.115 -3.759 4.899 1.00 0.00 H new ATOM 0 HB THR A 26 -17.500 -5.334 3.005 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.701 -3.825 0.944 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.849 -3.782 1.578 1.00 0.00 H new ATOM 0 HG22 THR A 26 -19.039 -3.397 3.306 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.982 -2.396 2.282 1.00 0.00 H new ATOM 414 N ASP A 27 -15.620 -5.821 5.170 1.00 0.00 N ATOM 415 CA ASP A 27 -14.700 -6.907 5.464 1.00 0.00 C ATOM 416 C ASP A 27 -14.319 -7.679 4.214 1.00 0.00 C ATOM 417 O ASP A 27 -13.301 -8.357 4.208 1.00 0.00 O ATOM 418 CB ASP A 27 -15.329 -7.819 6.503 1.00 0.00 C ATOM 419 CG ASP A 27 -16.499 -8.678 6.028 1.00 0.00 C ATOM 420 OD1 ASP A 27 -17.218 -8.248 5.101 1.00 0.00 O ATOM 421 OD2 ASP A 27 -16.791 -9.663 6.748 1.00 0.00 O ATOM 0 H ASP A 27 -16.551 -5.969 5.559 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.776 -6.487 5.861 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.555 -8.480 6.892 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -15.671 -7.205 7.336 1.00 0.00 H new ATOM 426 N ALA A 28 -15.042 -7.481 3.118 1.00 0.00 N ATOM 427 CA ALA A 28 -14.655 -8.010 1.822 1.00 0.00 C ATOM 428 C ALA A 28 -13.213 -7.620 1.450 1.00 0.00 C ATOM 429 O ALA A 28 -12.522 -8.413 0.815 1.00 0.00 O ATOM 430 CB ALA A 28 -15.634 -7.541 0.743 1.00 0.00 C ATOM 0 H ALA A 28 -15.912 -6.949 3.106 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.691 -9.098 1.886 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -15.332 -7.945 -0.223 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.637 -7.891 0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.631 -6.452 0.698 1.00 0.00 H new ATOM 436 N ILE A 29 -12.738 -6.426 1.841 1.00 0.00 N ATOM 437 CA ILE A 29 -11.364 -5.988 1.537 1.00 0.00 C ATOM 438 C ILE A 29 -10.326 -6.592 2.484 1.00 0.00 C ATOM 439 O ILE A 29 -9.127 -6.487 2.229 1.00 0.00 O ATOM 440 CB ILE A 29 -11.223 -4.454 1.556 1.00 0.00 C ATOM 441 CG1 ILE A 29 -11.182 -3.873 2.988 1.00 0.00 C ATOM 442 CG2 ILE A 29 -12.245 -3.821 0.606 1.00 0.00 C ATOM 443 CD1 ILE A 29 -11.483 -2.376 3.087 1.00 0.00 C ATOM 0 H ILE A 29 -13.285 -5.746 2.369 1.00 0.00 H new ATOM 0 HA ILE A 29 -11.169 -6.353 0.529 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.245 -4.178 1.163 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.900 -4.414 3.604 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.195 -4.059 3.411 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -12.138 -2.736 0.626 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.073 -4.184 -0.407 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -13.252 -4.092 0.922 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.430 -2.062 4.130 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.751 -1.818 2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -12.482 -2.179 2.699 1.00 0.00 H new ATOM 455 N ASN A 30 -10.774 -7.171 3.595 1.00 0.00 N ATOM 456 CA ASN A 30 -9.935 -7.900 4.530 1.00 0.00 C ATOM 457 C ASN A 30 -9.340 -9.093 3.801 1.00 0.00 C ATOM 458 O ASN A 30 -8.147 -9.335 3.917 1.00 0.00 O ATOM 459 CB ASN A 30 -10.788 -8.357 5.716 1.00 0.00 C ATOM 460 CG ASN A 30 -9.999 -8.850 6.902 1.00 0.00 C ATOM 461 OD1 ASN A 30 -8.780 -8.705 7.002 1.00 0.00 O ATOM 462 ND2 ASN A 30 -10.713 -9.396 7.870 1.00 0.00 N ATOM 0 H ASN A 30 -11.755 -7.143 3.873 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.130 -7.270 4.908 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.418 -7.527 6.035 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -11.454 -9.153 5.383 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.256 -9.709 8.726 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.721 -9.504 7.761 1.00 0.00 H new ATOM 469 N GLU A 31 -10.133 -9.773 2.969 1.00 0.00 N ATOM 470 CA GLU A 31 -9.695 -10.807 2.050 1.00 0.00 C ATOM 471 C GLU A 31 -8.612 -10.275 1.109 1.00 0.00 C ATOM 472 O GLU A 31 -7.593 -10.937 0.928 1.00 0.00 O ATOM 473 CB GLU A 31 -10.929 -11.257 1.249 1.00 0.00 C ATOM 474 CG GLU A 31 -11.251 -12.738 1.257 1.00 0.00 C ATOM 475 CD GLU A 31 -11.429 -13.285 2.666 1.00 0.00 C ATOM 476 OE1 GLU A 31 -10.427 -13.720 3.275 1.00 0.00 O ATOM 477 OE2 GLU A 31 -12.572 -13.380 3.155 1.00 0.00 O ATOM 0 H GLU A 31 -11.138 -9.605 2.921 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.263 -11.644 2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.796 -10.720 1.632 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.793 -10.945 0.213 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.162 -12.912 0.685 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.451 -13.284 0.757 1.00 0.00 H new ATOM 484 N ASP A 32 -8.812 -9.084 0.538 1.00 0.00 N ATOM 485 CA ASP A 32 -7.900 -8.462 -0.426 1.00 0.00 C ATOM 486 C ASP A 32 -6.586 -8.004 0.223 1.00 0.00 C ATOM 487 O ASP A 32 -5.633 -7.694 -0.494 1.00 0.00 O ATOM 488 CB ASP A 32 -8.564 -7.237 -1.071 1.00 0.00 C ATOM 489 CG ASP A 32 -9.645 -7.540 -2.089 1.00 0.00 C ATOM 490 OD1 ASP A 32 -9.332 -8.058 -3.174 1.00 0.00 O ATOM 491 OD2 ASP A 32 -10.818 -7.194 -1.825 1.00 0.00 O ATOM 0 H ASP A 32 -9.632 -8.512 0.738 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.675 -9.223 -1.174 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.995 -6.622 -0.281 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.791 -6.639 -1.555 1.00 0.00 H new ATOM 496 N PHE A 33 -6.523 -7.923 1.558 1.00 0.00 N ATOM 497 CA PHE A 33 -5.330 -7.594 2.336 1.00 0.00 C ATOM 498 C PHE A 33 -4.673 -8.840 2.922 1.00 0.00 C ATOM 499 O PHE A 33 -3.444 -8.911 2.980 1.00 0.00 O ATOM 500 CB PHE A 33 -5.731 -6.628 3.463 1.00 0.00 C ATOM 501 CG PHE A 33 -5.954 -5.191 3.033 1.00 0.00 C ATOM 502 CD1 PHE A 33 -5.060 -4.554 2.151 1.00 0.00 C ATOM 503 CD2 PHE A 33 -7.095 -4.498 3.475 1.00 0.00 C ATOM 504 CE1 PHE A 33 -5.312 -3.245 1.703 1.00 0.00 C ATOM 505 CE2 PHE A 33 -7.341 -3.184 3.034 1.00 0.00 C ATOM 506 CZ PHE A 33 -6.442 -2.551 2.163 1.00 0.00 C ATOM 0 H PHE A 33 -7.338 -8.093 2.147 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.600 -7.127 1.675 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.645 -6.997 3.928 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.955 -6.645 4.228 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.175 -5.074 1.816 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.785 -4.975 4.155 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.636 -2.774 1.005 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.225 -2.661 3.368 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.619 -1.533 1.847 1.00 0.00 H new ATOM 516 N TYR A 34 -5.478 -9.813 3.335 1.00 0.00 N ATOM 517 CA TYR A 34 -5.084 -11.112 3.840 1.00 0.00 C ATOM 518 C TYR A 34 -4.471 -11.921 2.699 1.00 0.00 C ATOM 519 O TYR A 34 -3.272 -12.204 2.684 1.00 0.00 O ATOM 520 CB TYR A 34 -6.340 -11.794 4.407 1.00 0.00 C ATOM 521 CG TYR A 34 -6.175 -13.261 4.722 1.00 0.00 C ATOM 522 CD1 TYR A 34 -5.108 -13.700 5.529 1.00 0.00 C ATOM 523 CD2 TYR A 34 -7.071 -14.187 4.157 1.00 0.00 C ATOM 524 CE1 TYR A 34 -4.923 -15.071 5.766 1.00 0.00 C ATOM 525 CE2 TYR A 34 -6.880 -15.561 4.385 1.00 0.00 C ATOM 526 CZ TYR A 34 -5.804 -16.008 5.185 1.00 0.00 C ATOM 527 OH TYR A 34 -5.619 -17.338 5.397 1.00 0.00 O ATOM 0 H TYR A 34 -6.492 -9.701 3.323 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.337 -11.029 4.630 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.640 -11.273 5.316 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.153 -11.680 3.690 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.431 -12.981 5.966 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.899 -13.845 3.553 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.109 -15.408 6.391 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.558 -16.278 3.947 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.314 -17.844 4.926 1.00 0.00 H new ATOM 537 N ASN A 35 -5.280 -12.247 1.694 1.00 0.00 N ATOM 538 CA ASN A 35 -4.862 -12.959 0.500 1.00 0.00 C ATOM 539 C ASN A 35 -4.119 -12.029 -0.469 1.00 0.00 C ATOM 540 O ASN A 35 -3.886 -12.418 -1.608 1.00 0.00 O ATOM 541 CB ASN A 35 -6.050 -13.614 -0.223 1.00 0.00 C ATOM 542 CG ASN A 35 -6.802 -14.659 0.586 1.00 0.00 C ATOM 543 OD1 ASN A 35 -6.275 -15.723 0.905 1.00 0.00 O ATOM 544 ND2 ASN A 35 -8.062 -14.406 0.884 1.00 0.00 N ATOM 0 H ASN A 35 -6.273 -12.014 1.693 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.184 -13.747 0.828 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.750 -12.833 -0.519 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.686 -14.079 -1.139 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.616 -15.099 1.387 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.482 -13.518 0.611 1.00 0.00 H new ATOM 551 N PHE A 36 -3.710 -10.819 -0.065 1.00 0.00 N ATOM 552 CA PHE A 36 -2.878 -9.959 -0.907 1.00 0.00 C ATOM 553 C PHE A 36 -1.618 -10.719 -1.345 1.00 0.00 C ATOM 554 O PHE A 36 -1.212 -10.610 -2.498 1.00 0.00 O ATOM 555 CB PHE A 36 -2.486 -8.691 -0.134 1.00 0.00 C ATOM 556 CG PHE A 36 -1.780 -7.605 -0.929 1.00 0.00 C ATOM 557 CD1 PHE A 36 -2.487 -6.776 -1.822 1.00 0.00 C ATOM 558 CD2 PHE A 36 -0.411 -7.374 -0.724 1.00 0.00 C ATOM 559 CE1 PHE A 36 -1.819 -5.757 -2.535 1.00 0.00 C ATOM 560 CE2 PHE A 36 0.243 -6.337 -1.408 1.00 0.00 C ATOM 561 CZ PHE A 36 -0.443 -5.544 -2.333 1.00 0.00 C ATOM 0 H PHE A 36 -3.944 -10.416 0.842 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.444 -9.672 -1.793 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.389 -8.263 0.301 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.840 -8.982 0.695 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.548 -6.921 -1.962 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.142 -7.997 -0.037 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.364 -5.141 -3.235 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.289 -6.149 -1.217 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.078 -4.776 -2.886 1.00 0.00 H new ATOM 571 N TRP A 37 -1.048 -11.545 -0.462 1.00 0.00 N ATOM 572 CA TRP A 37 0.130 -12.361 -0.703 1.00 0.00 C ATOM 573 C TRP A 37 -0.301 -13.780 -1.084 1.00 0.00 C ATOM 574 O TRP A 37 -0.106 -14.739 -0.334 1.00 0.00 O ATOM 575 CB TRP A 37 1.078 -12.283 0.507 1.00 0.00 C ATOM 576 CG TRP A 37 1.610 -10.910 0.812 1.00 0.00 C ATOM 577 CD1 TRP A 37 1.449 -10.223 1.966 1.00 0.00 C ATOM 578 CD2 TRP A 37 2.312 -10.004 -0.086 1.00 0.00 C ATOM 579 NE1 TRP A 37 2.022 -8.970 1.846 1.00 0.00 N ATOM 580 CE2 TRP A 37 2.511 -8.757 0.571 1.00 0.00 C ATOM 581 CE3 TRP A 37 2.736 -10.095 -1.423 1.00 0.00 C ATOM 582 CZ2 TRP A 37 3.002 -7.631 -0.113 1.00 0.00 C ATOM 583 CZ3 TRP A 37 3.212 -8.983 -2.125 1.00 0.00 C ATOM 584 CH2 TRP A 37 3.274 -7.738 -1.492 1.00 0.00 C ATOM 0 H TRP A 37 -1.418 -11.663 0.481 1.00 0.00 H new ATOM 0 HA TRP A 37 0.703 -11.982 -1.549 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.552 -12.656 1.386 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.921 -12.952 0.333 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.949 -10.596 2.847 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.077 -8.289 2.603 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.693 -11.051 -1.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.168 -6.700 0.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 3.530 -9.086 -3.152 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.531 -6.856 -2.061 1.00 0.00 H new ATOM 595 N LYS A 38 -0.946 -13.882 -2.247 1.00 0.00 N ATOM 596 CA LYS A 38 -1.256 -15.076 -3.009 1.00 0.00 C ATOM 597 C LYS A 38 -0.516 -15.066 -4.345 1.00 0.00 C ATOM 598 O LYS A 38 0.065 -14.058 -4.741 1.00 0.00 O ATOM 599 CB LYS A 38 -2.759 -15.061 -3.274 1.00 0.00 C ATOM 600 CG LYS A 38 -3.557 -16.079 -2.477 1.00 0.00 C ATOM 601 CD LYS A 38 -3.455 -15.990 -0.953 1.00 0.00 C ATOM 602 CE LYS A 38 -2.454 -16.980 -0.359 1.00 0.00 C ATOM 603 NZ LYS A 38 -2.781 -17.307 1.046 1.00 0.00 N ATOM 0 H LYS A 38 -1.294 -13.047 -2.717 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.953 -15.965 -2.456 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.143 -14.065 -3.052 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.928 -15.239 -4.336 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.607 -15.981 -2.754 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.238 -17.076 -2.782 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.165 -14.977 -0.673 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.438 -16.172 -0.518 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.448 -17.893 -0.954 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.450 -16.559 -0.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.081 -17.981 1.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.763 -16.439 1.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.729 -17.732 1.092 1.00 0.00 H new ATOM 617 N GLU A 39 -0.607 -16.162 -5.090 1.00 0.00 N ATOM 618 CA GLU A 39 0.175 -16.425 -6.300 1.00 0.00 C ATOM 619 C GLU A 39 -0.624 -16.221 -7.587 1.00 0.00 C ATOM 620 O GLU A 39 -0.643 -17.050 -8.502 1.00 0.00 O ATOM 621 CB GLU A 39 0.790 -17.828 -6.175 1.00 0.00 C ATOM 622 CG GLU A 39 -0.302 -18.915 -6.133 1.00 0.00 C ATOM 623 CD GLU A 39 0.173 -20.141 -5.374 1.00 0.00 C ATOM 624 OE1 GLU A 39 0.342 -20.045 -4.139 1.00 0.00 O ATOM 625 OE2 GLU A 39 0.405 -21.187 -6.019 1.00 0.00 O ATOM 0 H GLU A 39 -1.249 -16.921 -4.863 1.00 0.00 H new ATOM 0 HA GLU A 39 0.978 -15.692 -6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.457 -18.012 -7.017 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.396 -17.883 -5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.199 -18.515 -5.659 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.577 -19.197 -7.149 1.00 0.00 H new ATOM 632 N GLY A 40 -1.279 -15.075 -7.652 1.00 0.00 N ATOM 633 CA GLY A 40 -2.156 -14.683 -8.739 1.00 0.00 C ATOM 634 C GLY A 40 -3.548 -14.518 -8.175 1.00 0.00 C ATOM 635 O GLY A 40 -4.499 -15.153 -8.634 1.00 0.00 O ATOM 0 H GLY A 40 -1.211 -14.366 -6.921 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.813 -13.751 -9.189 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.150 -15.438 -9.526 1.00 0.00 H new ATOM 639 N TYR A 41 -3.640 -13.721 -7.119 1.00 0.00 N ATOM 640 CA TYR A 41 -4.903 -13.155 -6.663 1.00 0.00 C ATOM 641 C TYR A 41 -5.116 -11.828 -7.399 1.00 0.00 C ATOM 642 O TYR A 41 -4.146 -11.108 -7.662 1.00 0.00 O ATOM 643 CB TYR A 41 -4.804 -12.997 -5.142 1.00 0.00 C ATOM 644 CG TYR A 41 -5.970 -12.350 -4.433 1.00 0.00 C ATOM 645 CD1 TYR A 41 -6.274 -10.995 -4.649 1.00 0.00 C ATOM 646 CD2 TYR A 41 -6.739 -13.103 -3.528 1.00 0.00 C ATOM 647 CE1 TYR A 41 -7.395 -10.424 -4.032 1.00 0.00 C ATOM 648 CE2 TYR A 41 -7.870 -12.536 -2.918 1.00 0.00 C ATOM 649 CZ TYR A 41 -8.218 -11.196 -3.187 1.00 0.00 C ATOM 650 OH TYR A 41 -9.334 -10.656 -2.629 1.00 0.00 O ATOM 0 H TYR A 41 -2.837 -13.448 -6.552 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.765 -13.786 -6.880 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.654 -13.986 -4.710 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.910 -12.414 -4.921 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.645 -10.395 -5.289 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.459 -14.121 -3.301 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.630 -9.384 -4.205 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -8.473 -13.126 -2.243 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.567 -9.828 -3.099 1.00 0.00 H new ATOM 660 N GLU A 42 -6.369 -11.460 -7.687 1.00 0.00 N ATOM 661 CA GLU A 42 -6.703 -10.208 -8.340 1.00 0.00 C ATOM 662 C GLU A 42 -7.627 -9.333 -7.497 1.00 0.00 C ATOM 663 O GLU A 42 -8.690 -9.761 -7.042 1.00 0.00 O ATOM 664 CB GLU A 42 -7.397 -10.519 -9.665 1.00 0.00 C ATOM 665 CG GLU A 42 -6.463 -10.950 -10.790 1.00 0.00 C ATOM 666 CD GLU A 42 -7.007 -12.135 -11.590 1.00 0.00 C ATOM 667 OE1 GLU A 42 -6.774 -13.304 -11.197 1.00 0.00 O ATOM 668 OE2 GLU A 42 -7.661 -11.917 -12.634 1.00 0.00 O ATOM 0 H GLU A 42 -7.182 -12.035 -7.467 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.775 -9.656 -8.491 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.131 -11.308 -9.498 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.947 -9.635 -9.987 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.299 -10.108 -11.463 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.493 -11.216 -10.369 1.00 0.00 H new ATOM 675 N ILE A 43 -7.279 -8.051 -7.428 1.00 0.00 N ATOM 676 CA ILE A 43 -7.798 -7.037 -6.525 1.00 0.00 C ATOM 677 C ILE A 43 -8.545 -6.036 -7.400 1.00 0.00 C ATOM 678 O ILE A 43 -7.923 -5.318 -8.188 1.00 0.00 O ATOM 679 CB ILE A 43 -6.625 -6.365 -5.770 1.00 0.00 C ATOM 680 CG1 ILE A 43 -5.777 -7.387 -4.977 1.00 0.00 C ATOM 681 CG2 ILE A 43 -7.194 -5.299 -4.819 1.00 0.00 C ATOM 682 CD1 ILE A 43 -4.361 -6.911 -4.674 1.00 0.00 C ATOM 0 H ILE A 43 -6.570 -7.668 -8.053 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.464 -7.456 -5.771 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.963 -5.906 -6.505 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.283 -7.613 -4.038 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.724 -8.317 -5.543 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.377 -4.818 -4.281 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.739 -4.551 -5.395 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.870 -5.771 -4.106 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.830 -7.682 -4.116 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.836 -6.712 -5.608 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.403 -5.998 -4.081 1.00 0.00 H new ATOM 694 N LYS A 44 -9.877 -6.029 -7.339 1.00 0.00 N ATOM 695 CA LYS A 44 -10.711 -5.188 -8.190 1.00 0.00 C ATOM 696 C LYS A 44 -11.761 -4.388 -7.411 1.00 0.00 C ATOM 697 O LYS A 44 -12.320 -3.449 -7.983 1.00 0.00 O ATOM 698 CB LYS A 44 -11.371 -6.034 -9.301 1.00 0.00 C ATOM 699 CG LYS A 44 -10.393 -6.493 -10.393 1.00 0.00 C ATOM 700 CD LYS A 44 -9.651 -7.793 -10.122 1.00 0.00 C ATOM 701 CE LYS A 44 -10.517 -9.053 -10.177 1.00 0.00 C ATOM 702 NZ LYS A 44 -10.920 -9.574 -8.849 1.00 0.00 N ATOM 0 H LYS A 44 -10.409 -6.612 -6.692 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.050 -4.451 -8.646 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.835 -6.911 -8.850 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.169 -5.452 -9.762 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.946 -6.602 -11.326 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.657 -5.704 -10.549 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.844 -7.892 -10.849 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.187 -7.731 -9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.414 -8.838 -10.758 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.971 -9.832 -10.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.261 -10.551 -8.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.102 -9.557 -8.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.679 -8.980 -8.459 1.00 0.00 H new ATOM 716 N ASN A 45 -12.051 -4.707 -6.142 1.00 0.00 N ATOM 717 CA ASN A 45 -12.997 -3.917 -5.354 1.00 0.00 C ATOM 718 C ASN A 45 -12.440 -2.520 -5.151 1.00 0.00 C ATOM 719 O ASN A 45 -11.373 -2.361 -4.561 1.00 0.00 O ATOM 720 CB ASN A 45 -13.333 -4.558 -3.992 1.00 0.00 C ATOM 721 CG ASN A 45 -14.629 -3.984 -3.432 1.00 0.00 C ATOM 722 OD1 ASN A 45 -15.280 -3.153 -4.059 1.00 0.00 O ATOM 723 ND2 ASN A 45 -15.023 -4.394 -2.244 1.00 0.00 N ATOM 0 H ASN A 45 -11.646 -5.501 -5.646 1.00 0.00 H new ATOM 0 HA ASN A 45 -13.931 -3.876 -5.915 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -13.427 -5.638 -4.106 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.518 -4.381 -3.290 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -15.879 -4.021 -1.834 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -14.472 -5.085 -1.734 1.00 0.00 H new ATOM 730 N ARG A 46 -13.172 -1.484 -5.571 1.00 0.00 N ATOM 731 CA ARG A 46 -12.767 -0.110 -5.327 1.00 0.00 C ATOM 732 C ARG A 46 -12.606 0.145 -3.829 1.00 0.00 C ATOM 733 O ARG A 46 -11.840 1.025 -3.420 1.00 0.00 O ATOM 734 CB ARG A 46 -13.809 0.832 -5.967 1.00 0.00 C ATOM 735 CG ARG A 46 -13.793 2.251 -5.393 1.00 0.00 C ATOM 736 CD ARG A 46 -14.633 3.285 -6.146 1.00 0.00 C ATOM 737 NE ARG A 46 -16.081 3.066 -6.097 1.00 0.00 N ATOM 738 CZ ARG A 46 -16.919 3.609 -5.210 1.00 0.00 C ATOM 739 NH1 ARG A 46 -16.539 3.930 -3.976 1.00 0.00 N ATOM 740 NH2 ARG A 46 -18.172 3.840 -5.564 1.00 0.00 N ATOM 0 H ARG A 46 -14.049 -1.579 -6.082 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.796 0.083 -5.782 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.629 0.882 -7.041 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.803 0.406 -5.830 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.142 2.209 -4.361 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.761 2.600 -5.366 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.417 4.272 -5.738 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.318 3.295 -7.189 1.00 0.00 H new ATOM 0 HE ARG A 46 -16.483 2.446 -6.800 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.578 3.763 -3.679 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -17.209 4.343 -3.327 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -18.488 3.604 -6.505 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -18.822 4.254 -4.896 1.00 0.00 H new ATOM 754 N GLU A 47 -13.314 -0.622 -3.006 1.00 0.00 N ATOM 755 CA GLU A 47 -13.270 -0.404 -1.567 1.00 0.00 C ATOM 756 C GLU A 47 -11.859 -0.693 -1.025 1.00 0.00 C ATOM 757 O GLU A 47 -11.522 -0.176 0.042 1.00 0.00 O ATOM 758 CB GLU A 47 -14.391 -1.200 -0.854 1.00 0.00 C ATOM 759 CG GLU A 47 -15.761 -0.950 -1.513 1.00 0.00 C ATOM 760 CD GLU A 47 -16.938 -1.606 -0.787 1.00 0.00 C ATOM 761 OE1 GLU A 47 -17.283 -2.759 -1.139 1.00 0.00 O ATOM 762 OE2 GLU A 47 -17.557 -0.909 0.061 1.00 0.00 O ATOM 0 H GLU A 47 -13.916 -1.389 -3.306 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.471 0.645 -1.350 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.159 -2.265 -0.884 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.432 -0.912 0.197 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.935 0.125 -1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.731 -1.319 -2.538 1.00 0.00 H new ATOM 769 N THR A 48 -11.009 -1.457 -1.738 1.00 0.00 N ATOM 770 CA THR A 48 -9.658 -1.734 -1.262 1.00 0.00 C ATOM 771 C THR A 48 -8.822 -0.458 -1.387 1.00 0.00 C ATOM 772 O THR A 48 -8.150 -0.026 -0.453 1.00 0.00 O ATOM 773 CB THR A 48 -8.974 -2.910 -1.975 1.00 0.00 C ATOM 774 OG1 THR A 48 -8.612 -2.603 -3.304 1.00 0.00 O ATOM 775 CG2 THR A 48 -9.825 -4.166 -2.020 1.00 0.00 C ATOM 0 H THR A 48 -11.239 -1.885 -2.635 1.00 0.00 H new ATOM 0 HA THR A 48 -9.736 -2.042 -0.219 1.00 0.00 H new ATOM 0 HB THR A 48 -8.084 -3.095 -1.373 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.421 -2.478 -3.843 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.281 -4.956 -2.537 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.053 -4.488 -1.004 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.754 -3.957 -2.551 1.00 0.00 H new ATOM 783 N GLY A 49 -8.892 0.176 -2.561 1.00 0.00 N ATOM 784 CA GLY A 49 -8.075 1.315 -2.930 1.00 0.00 C ATOM 785 C GLY A 49 -8.215 2.460 -1.941 1.00 0.00 C ATOM 786 O GLY A 49 -7.221 3.029 -1.492 1.00 0.00 O ATOM 0 H GLY A 49 -9.541 -0.104 -3.296 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.030 1.009 -2.985 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.359 1.658 -3.925 1.00 0.00 H new ATOM 790 N CYS A 50 -9.465 2.759 -1.580 1.00 0.00 N ATOM 791 CA CYS A 50 -9.768 3.807 -0.624 1.00 0.00 C ATOM 792 C CYS A 50 -9.185 3.501 0.761 1.00 0.00 C ATOM 793 O CYS A 50 -8.634 4.394 1.406 1.00 0.00 O ATOM 794 CB CYS A 50 -11.282 4.061 -0.605 1.00 0.00 C ATOM 795 SG CYS A 50 -11.626 5.756 -1.129 1.00 0.00 S ATOM 0 H CYS A 50 -10.288 2.279 -1.945 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.283 4.731 -0.937 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.786 3.357 -1.267 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.675 3.894 0.398 1.00 0.00 H new ATOM 800 N ALA A 51 -9.248 2.244 1.217 1.00 0.00 N ATOM 801 CA ALA A 51 -8.615 1.841 2.469 1.00 0.00 C ATOM 802 C ALA A 51 -7.115 2.143 2.440 1.00 0.00 C ATOM 803 O ALA A 51 -6.582 2.675 3.412 1.00 0.00 O ATOM 804 CB ALA A 51 -8.856 0.353 2.739 1.00 0.00 C ATOM 0 H ALA A 51 -9.734 1.489 0.732 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.065 2.417 3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.377 0.071 3.676 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.927 0.165 2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.436 -0.237 1.925 1.00 0.00 H new ATOM 810 N ILE A 52 -6.436 1.828 1.334 1.00 0.00 N ATOM 811 CA ILE A 52 -4.991 2.008 1.189 1.00 0.00 C ATOM 812 C ILE A 52 -4.626 3.489 1.355 1.00 0.00 C ATOM 813 O ILE A 52 -3.687 3.793 2.087 1.00 0.00 O ATOM 814 CB ILE A 52 -4.507 1.370 -0.138 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.746 -0.154 -0.052 1.00 0.00 C ATOM 816 CG2 ILE A 52 -3.022 1.636 -0.425 1.00 0.00 C ATOM 817 CD1 ILE A 52 -4.567 -0.933 -1.353 1.00 0.00 C ATOM 0 H ILE A 52 -6.881 1.436 0.504 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.457 1.482 1.981 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.070 1.822 -0.954 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.066 -0.567 0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.759 -0.323 0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.743 1.164 -1.367 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.851 2.710 -0.493 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.416 1.223 0.381 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.760 -1.991 -1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.266 -0.559 -2.100 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.547 -0.807 -1.715 1.00 0.00 H new ATOM 829 N MET A 53 -5.373 4.419 0.753 1.00 0.00 N ATOM 830 CA MET A 53 -5.166 5.843 0.979 1.00 0.00 C ATOM 831 C MET A 53 -5.348 6.205 2.448 1.00 0.00 C ATOM 832 O MET A 53 -4.492 6.883 3.016 1.00 0.00 O ATOM 833 CB MET A 53 -6.146 6.616 0.106 1.00 0.00 C ATOM 834 CG MET A 53 -6.189 8.110 0.421 1.00 0.00 C ATOM 835 SD MET A 53 -7.697 8.652 1.256 1.00 0.00 S ATOM 836 CE MET A 53 -8.882 8.430 -0.101 1.00 0.00 C ATOM 0 H MET A 53 -6.129 4.204 0.103 1.00 0.00 H new ATOM 0 HA MET A 53 -4.142 6.106 0.712 1.00 0.00 H new ATOM 0 HB2 MET A 53 -5.874 6.480 -0.941 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.144 6.196 0.233 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.332 8.362 1.045 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.082 8.669 -0.509 1.00 0.00 H new ATOM 0 HE1 MET A 53 -9.794 8.986 0.118 1.00 0.00 H new ATOM 0 HE2 MET A 53 -8.446 8.799 -1.029 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.119 7.371 -0.207 1.00 0.00 H new ATOM 846 N CYS A 54 -6.452 5.776 3.067 1.00 0.00 N ATOM 847 CA CYS A 54 -6.706 6.097 4.468 1.00 0.00 C ATOM 848 C CYS A 54 -5.555 5.622 5.355 1.00 0.00 C ATOM 849 O CYS A 54 -5.116 6.363 6.237 1.00 0.00 O ATOM 850 CB CYS A 54 -8.037 5.509 4.932 1.00 0.00 C ATOM 851 SG CYS A 54 -8.389 5.836 6.676 1.00 0.00 S ATOM 0 H CYS A 54 -7.176 5.211 2.622 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.772 7.181 4.558 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.841 5.920 4.322 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.029 4.432 4.765 1.00 0.00 H new ATOM 856 N LEU A 55 -5.056 4.409 5.106 1.00 0.00 N ATOM 857 CA LEU A 55 -3.885 3.875 5.778 1.00 0.00 C ATOM 858 C LEU A 55 -2.708 4.817 5.553 1.00 0.00 C ATOM 859 O LEU A 55 -2.143 5.293 6.533 1.00 0.00 O ATOM 860 CB LEU A 55 -3.568 2.452 5.284 1.00 0.00 C ATOM 861 CG LEU A 55 -4.550 1.382 5.788 1.00 0.00 C ATOM 862 CD1 LEU A 55 -4.245 0.023 5.147 1.00 0.00 C ATOM 863 CD2 LEU A 55 -4.482 1.271 7.312 1.00 0.00 C ATOM 0 H LEU A 55 -5.463 3.769 4.424 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.082 3.805 6.848 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.570 2.448 4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.560 2.184 5.602 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.558 1.682 5.502 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.951 -0.720 5.517 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.336 0.103 4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.230 -0.281 5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.183 0.509 7.653 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.471 0.994 7.612 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.743 2.230 7.759 1.00 0.00 H new ATOM 875 N SER A 56 -2.339 5.125 4.305 1.00 0.00 N ATOM 876 CA SER A 56 -1.254 6.055 4.007 1.00 0.00 C ATOM 877 C SER A 56 -1.396 7.372 4.783 1.00 0.00 C ATOM 878 O SER A 56 -0.424 7.776 5.420 1.00 0.00 O ATOM 879 CB SER A 56 -1.124 6.278 2.495 1.00 0.00 C ATOM 880 OG SER A 56 -0.616 5.114 1.861 1.00 0.00 O ATOM 0 H SER A 56 -2.787 4.734 3.476 1.00 0.00 H new ATOM 0 HA SER A 56 -0.324 5.601 4.349 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.097 6.533 2.074 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.462 7.122 2.302 1.00 0.00 H new ATOM 0 HG SER A 56 -0.541 5.273 0.897 1.00 0.00 H new ATOM 886 N THR A 57 -2.581 7.993 4.829 1.00 0.00 N ATOM 887 CA THR A 57 -2.828 9.127 5.715 1.00 0.00 C ATOM 888 C THR A 57 -2.419 8.773 7.159 1.00 0.00 C ATOM 889 O THR A 57 -1.629 9.502 7.758 1.00 0.00 O ATOM 890 CB THR A 57 -4.301 9.582 5.654 1.00 0.00 C ATOM 891 OG1 THR A 57 -4.542 10.318 4.472 1.00 0.00 O ATOM 892 CG2 THR A 57 -4.693 10.432 6.864 1.00 0.00 C ATOM 0 H THR A 57 -3.383 7.725 4.259 1.00 0.00 H new ATOM 0 HA THR A 57 -2.217 9.963 5.374 1.00 0.00 H new ATOM 0 HB THR A 57 -4.911 8.679 5.661 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.481 10.598 4.447 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.738 10.729 6.777 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.555 9.852 7.776 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.065 11.322 6.902 1.00 0.00 H new ATOM 900 N LYS A 58 -2.962 7.701 7.757 1.00 0.00 N ATOM 901 CA LYS A 58 -2.776 7.406 9.184 1.00 0.00 C ATOM 902 C LYS A 58 -1.303 7.182 9.540 1.00 0.00 C ATOM 903 O LYS A 58 -0.871 7.608 10.615 1.00 0.00 O ATOM 904 CB LYS A 58 -3.589 6.181 9.631 1.00 0.00 C ATOM 905 CG LYS A 58 -5.105 6.267 9.390 1.00 0.00 C ATOM 906 CD LYS A 58 -5.918 6.073 10.679 1.00 0.00 C ATOM 907 CE LYS A 58 -7.427 5.976 10.409 1.00 0.00 C ATOM 908 NZ LYS A 58 -7.977 4.633 10.513 1.00 0.00 N ATOM 0 H LYS A 58 -3.539 7.018 7.267 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.139 8.286 9.715 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.206 5.303 9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.417 6.021 10.695 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.346 7.237 8.955 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.397 5.510 8.662 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.583 5.167 11.184 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.725 6.905 11.356 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.951 6.624 11.112 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.629 6.361 9.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.978 4.688 10.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.897 4.153 9.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.449 4.096 11.231 1.00 0.00 H new ATOM 922 N LEU A 59 -0.514 6.548 8.660 1.00 0.00 N ATOM 923 CA LEU A 59 0.927 6.370 8.872 1.00 0.00 C ATOM 924 C LEU A 59 1.647 7.718 8.866 1.00 0.00 C ATOM 925 O LEU A 59 2.744 7.819 9.422 1.00 0.00 O ATOM 926 CB LEU A 59 1.582 5.470 7.801 1.00 0.00 C ATOM 927 CG LEU A 59 1.387 3.943 7.912 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.582 3.385 9.323 1.00 0.00 C ATOM 929 CD2 LEU A 59 0.031 3.513 7.381 1.00 0.00 C ATOM 0 H LEU A 59 -0.856 6.147 7.787 1.00 0.00 H new ATOM 0 HA LEU A 59 1.027 5.885 9.843 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.206 5.784 6.827 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.653 5.670 7.808 1.00 0.00 H new ATOM 0 HG LEU A 59 2.178 3.520 7.292 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.427 2.306 9.312 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.594 3.603 9.664 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.864 3.848 10.000 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.071 2.432 7.475 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.756 4.003 7.954 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.055 3.795 6.332 1.00 0.00 H new ATOM 941 N ASN A 60 1.038 8.733 8.259 1.00 0.00 N ATOM 942 CA ASN A 60 1.665 9.867 7.612 1.00 0.00 C ATOM 943 C ASN A 60 2.466 9.330 6.428 1.00 0.00 C ATOM 944 O ASN A 60 3.529 8.741 6.628 1.00 0.00 O ATOM 945 CB ASN A 60 2.505 10.734 8.575 1.00 0.00 C ATOM 946 CG ASN A 60 2.640 12.178 8.129 1.00 0.00 C ATOM 947 OD1 ASN A 60 1.951 12.643 7.222 1.00 0.00 O ATOM 948 ND2 ASN A 60 3.520 12.940 8.753 1.00 0.00 N ATOM 0 H ASN A 60 0.021 8.782 8.206 1.00 0.00 H new ATOM 0 HA ASN A 60 0.900 10.557 7.257 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.049 10.709 9.565 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.499 10.297 8.671 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.630 13.918 8.483 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.089 12.551 9.505 1.00 0.00 H new ATOM 955 N MET A 61 1.928 9.425 5.212 1.00 0.00 N ATOM 956 CA MET A 61 2.640 9.110 3.964 1.00 0.00 C ATOM 957 C MET A 61 2.174 9.967 2.780 1.00 0.00 C ATOM 958 O MET A 61 2.636 9.743 1.663 1.00 0.00 O ATOM 959 CB MET A 61 2.549 7.609 3.598 1.00 0.00 C ATOM 960 CG MET A 61 3.616 6.762 4.291 1.00 0.00 C ATOM 961 SD MET A 61 4.057 5.214 3.453 1.00 0.00 S ATOM 962 CE MET A 61 2.732 4.155 4.054 1.00 0.00 C ATOM 0 H MET A 61 0.966 9.729 5.059 1.00 0.00 H new ATOM 0 HA MET A 61 3.684 9.353 4.161 1.00 0.00 H new ATOM 0 HB2 MET A 61 1.562 7.233 3.868 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.648 7.497 2.518 1.00 0.00 H new ATOM 0 HG2 MET A 61 4.518 7.364 4.400 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.268 6.524 5.296 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.740 3.214 3.504 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.878 3.956 5.116 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.773 4.653 3.907 1.00 0.00 H new ATOM 972 N LEU A 62 1.288 10.942 2.978 1.00 0.00 N ATOM 973 CA LEU A 62 0.848 11.870 1.946 1.00 0.00 C ATOM 974 C LEU A 62 1.575 13.199 2.160 1.00 0.00 C ATOM 975 O LEU A 62 1.539 13.753 3.260 1.00 0.00 O ATOM 976 CB LEU A 62 -0.689 11.981 2.005 1.00 0.00 C ATOM 977 CG LEU A 62 -1.430 10.738 1.469 1.00 0.00 C ATOM 978 CD1 LEU A 62 -2.938 10.993 1.481 1.00 0.00 C ATOM 979 CD2 LEU A 62 -1.037 10.371 0.031 1.00 0.00 C ATOM 0 H LEU A 62 0.848 11.110 3.883 1.00 0.00 H new ATOM 0 HA LEU A 62 1.096 11.527 0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.991 12.154 3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.002 12.853 1.431 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.149 9.913 2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.459 10.114 1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.264 11.197 2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.167 11.851 0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.594 9.489 -0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.269 11.203 -0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.032 10.160 -0.012 1.00 0.00 H new ATOM 1053 N LEU A 68 2.367 11.245 -2.306 1.00 0.00 N ATOM 1054 CA LEU A 68 3.385 10.416 -1.635 1.00 0.00 C ATOM 1055 C LEU A 68 4.506 11.249 -1.001 1.00 0.00 C ATOM 1056 O LEU A 68 5.298 11.896 -1.679 1.00 0.00 O ATOM 1057 CB LEU A 68 3.912 9.334 -2.595 1.00 0.00 C ATOM 1058 CG LEU A 68 4.814 8.220 -2.028 1.00 0.00 C ATOM 1059 CD1 LEU A 68 6.161 8.682 -1.495 1.00 0.00 C ATOM 1060 CD2 LEU A 68 4.134 7.353 -0.963 1.00 0.00 C ATOM 0 HA LEU A 68 2.904 9.910 -0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.050 8.857 -3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.466 9.836 -3.388 1.00 0.00 H new ATOM 0 HG LEU A 68 5.001 7.616 -2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.718 7.823 -1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.726 9.158 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.007 9.396 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.832 6.592 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.829 7.979 -0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.257 6.870 -1.393 1.00 0.00 H new ATOM 1072 N HIS A 69 4.567 11.251 0.327 1.00 0.00 N ATOM 1073 CA HIS A 69 5.610 11.911 1.092 1.00 0.00 C ATOM 1074 C HIS A 69 6.867 11.050 1.093 1.00 0.00 C ATOM 1075 O HIS A 69 7.053 10.224 1.983 1.00 0.00 O ATOM 1076 CB HIS A 69 5.118 12.195 2.514 1.00 0.00 C ATOM 1077 CG HIS A 69 5.958 13.189 3.269 1.00 0.00 C ATOM 1078 ND1 HIS A 69 7.328 13.208 3.337 1.00 0.00 N ATOM 1079 CD2 HIS A 69 5.496 14.269 3.970 1.00 0.00 C ATOM 1080 CE1 HIS A 69 7.688 14.268 4.072 1.00 0.00 C ATOM 1081 NE2 HIS A 69 6.604 14.941 4.493 1.00 0.00 N ATOM 0 H HIS A 69 3.875 10.782 0.911 1.00 0.00 H new ATOM 0 HA HIS A 69 5.856 12.867 0.631 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.094 12.564 2.465 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.093 11.259 3.072 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.461 14.551 4.096 1.00 0.00 H new ATOM 0 HE1 HIS A 69 8.708 14.544 4.295 1.00 0.00 H new ATOM 0 HE2 HIS A 69 6.592 15.776 5.078 1.00 0.00 H new ATOM 1089 N HIS A 70 7.756 11.252 0.125 1.00 0.00 N ATOM 1090 CA HIS A 70 9.055 10.596 -0.001 1.00 0.00 C ATOM 1091 C HIS A 70 9.806 10.476 1.324 1.00 0.00 C ATOM 1092 O HIS A 70 10.396 9.427 1.597 1.00 0.00 O ATOM 1093 CB HIS A 70 9.904 11.376 -1.009 1.00 0.00 C ATOM 1094 CG HIS A 70 9.230 11.487 -2.343 1.00 0.00 C ATOM 1095 ND1 HIS A 70 8.882 12.635 -3.018 1.00 0.00 N ATOM 1096 CD2 HIS A 70 8.792 10.425 -3.074 1.00 0.00 C ATOM 1097 CE1 HIS A 70 8.284 12.259 -4.160 1.00 0.00 C ATOM 1098 NE2 HIS A 70 8.241 10.920 -4.245 1.00 0.00 N ATOM 0 H HIS A 70 7.581 11.912 -0.633 1.00 0.00 H new ATOM 0 HA HIS A 70 8.874 9.577 -0.343 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.104 12.374 -0.619 1.00 0.00 H new ATOM 0 HB3 HIS A 70 10.868 10.882 -1.130 1.00 0.00 H new ATOM 0 HD1 HIS A 70 9.047 13.593 -2.708 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.862 9.385 -2.792 1.00 0.00 H new ATOM 0 HE1 HIS A 70 7.893 12.937 -4.904 1.00 0.00 H new ATOM 1106 N GLY A 71 9.786 11.533 2.140 1.00 0.00 N ATOM 1107 CA GLY A 71 10.344 11.519 3.488 1.00 0.00 C ATOM 1108 C GLY A 71 9.696 10.458 4.382 1.00 0.00 C ATOM 1109 O GLY A 71 10.301 9.423 4.665 1.00 0.00 O ATOM 0 H GLY A 71 9.377 12.430 1.878 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.417 11.335 3.431 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.212 12.501 3.942 1.00 0.00 H new ATOM 1113 N ASN A 72 8.458 10.700 4.822 1.00 0.00 N ATOM 1114 CA ASN A 72 7.714 9.843 5.747 1.00 0.00 C ATOM 1115 C ASN A 72 7.569 8.404 5.247 1.00 0.00 C ATOM 1116 O ASN A 72 7.593 7.471 6.052 1.00 0.00 O ATOM 1117 CB ASN A 72 6.308 10.408 5.973 1.00 0.00 C ATOM 1118 CG ASN A 72 6.229 11.401 7.114 1.00 0.00 C ATOM 1119 OD1 ASN A 72 6.324 12.605 6.905 1.00 0.00 O ATOM 1120 ND2 ASN A 72 6.087 10.930 8.338 1.00 0.00 N ATOM 0 H ASN A 72 7.930 11.524 4.535 1.00 0.00 H new ATOM 0 HA ASN A 72 8.290 9.827 6.673 1.00 0.00 H new ATOM 0 HB2 ASN A 72 5.969 10.892 5.057 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.622 9.584 6.171 1.00 0.00 H new ATOM 0 HD21 ASN A 72 6.055 11.571 9.131 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.010 9.925 8.492 1.00 0.00 H new ATOM 1127 N ALA A 73 7.379 8.224 3.939 1.00 0.00 N ATOM 1128 CA ALA A 73 7.331 6.938 3.259 1.00 0.00 C ATOM 1129 C ALA A 73 8.618 6.154 3.540 1.00 0.00 C ATOM 1130 O ALA A 73 8.559 5.005 3.990 1.00 0.00 O ATOM 1131 CB ALA A 73 7.109 7.182 1.760 1.00 0.00 C ATOM 0 H ALA A 73 7.249 9.009 3.300 1.00 0.00 H new ATOM 0 HA ALA A 73 6.503 6.334 3.630 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.071 6.226 1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.169 7.714 1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.929 7.780 1.363 1.00 0.00 H new ATOM 1137 N MET A 74 9.779 6.765 3.282 1.00 0.00 N ATOM 1138 CA MET A 74 11.076 6.138 3.470 1.00 0.00 C ATOM 1139 C MET A 74 11.334 5.859 4.946 1.00 0.00 C ATOM 1140 O MET A 74 11.946 4.845 5.284 1.00 0.00 O ATOM 1141 CB MET A 74 12.172 7.051 2.907 1.00 0.00 C ATOM 1142 CG MET A 74 13.534 6.370 3.045 1.00 0.00 C ATOM 1143 SD MET A 74 14.718 6.675 1.718 1.00 0.00 S ATOM 1144 CE MET A 74 14.031 5.593 0.447 1.00 0.00 C ATOM 0 H MET A 74 9.837 7.721 2.932 1.00 0.00 H new ATOM 0 HA MET A 74 11.086 5.187 2.938 1.00 0.00 H new ATOM 0 HB2 MET A 74 11.971 7.273 1.859 1.00 0.00 H new ATOM 0 HB3 MET A 74 12.175 8.002 3.439 1.00 0.00 H new ATOM 0 HG2 MET A 74 13.983 6.691 3.985 1.00 0.00 H new ATOM 0 HG3 MET A 74 13.373 5.295 3.119 1.00 0.00 H new ATOM 0 HE1 MET A 74 14.837 5.039 -0.034 1.00 0.00 H new ATOM 0 HE2 MET A 74 13.332 4.892 0.904 1.00 0.00 H new ATOM 0 HE3 MET A 74 13.508 6.193 -0.298 1.00 0.00 H new ATOM 1154 N GLU A 75 10.889 6.749 5.830 1.00 0.00 N ATOM 1155 CA GLU A 75 11.062 6.618 7.245 1.00 0.00 C ATOM 1156 C GLU A 75 10.393 5.354 7.739 1.00 0.00 C ATOM 1157 O GLU A 75 11.061 4.524 8.343 1.00 0.00 O ATOM 1158 CB GLU A 75 10.440 7.856 7.916 1.00 0.00 C ATOM 1159 CG GLU A 75 11.303 8.299 9.082 1.00 0.00 C ATOM 1160 CD GLU A 75 10.556 8.332 10.417 1.00 0.00 C ATOM 1161 OE1 GLU A 75 10.291 7.262 11.009 1.00 0.00 O ATOM 1162 OE2 GLU A 75 10.182 9.449 10.861 1.00 0.00 O ATOM 0 H GLU A 75 10.388 7.596 5.559 1.00 0.00 H new ATOM 0 HA GLU A 75 12.121 6.552 7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.348 8.666 7.192 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.433 7.625 8.264 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.156 7.626 9.169 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.701 9.292 8.873 1.00 0.00 H new ATOM 1169 N PHE A 76 9.108 5.175 7.421 1.00 0.00 N ATOM 1170 CA PHE A 76 8.350 4.002 7.817 1.00 0.00 C ATOM 1171 C PHE A 76 9.078 2.729 7.377 1.00 0.00 C ATOM 1172 O PHE A 76 9.136 1.768 8.146 1.00 0.00 O ATOM 1173 CB PHE A 76 6.953 4.074 7.187 1.00 0.00 C ATOM 1174 CG PHE A 76 6.062 2.911 7.571 1.00 0.00 C ATOM 1175 CD1 PHE A 76 5.451 2.894 8.836 1.00 0.00 C ATOM 1176 CD2 PHE A 76 5.897 1.818 6.703 1.00 0.00 C ATOM 1177 CE1 PHE A 76 4.661 1.797 9.229 1.00 0.00 C ATOM 1178 CE2 PHE A 76 5.125 0.711 7.104 1.00 0.00 C ATOM 1179 CZ PHE A 76 4.502 0.704 8.362 1.00 0.00 C ATOM 0 H PHE A 76 8.568 5.849 6.878 1.00 0.00 H new ATOM 0 HA PHE A 76 8.253 3.976 8.902 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.473 5.005 7.489 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.052 4.104 6.102 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.588 3.727 9.510 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.362 1.827 5.728 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.178 1.796 10.195 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.012 -0.135 6.442 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.901 -0.141 8.663 1.00 0.00 H new ATOM 1189 N ALA A 77 9.666 2.740 6.174 1.00 0.00 N ATOM 1190 CA ALA A 77 10.485 1.651 5.674 1.00 0.00 C ATOM 1191 C ALA A 77 11.664 1.388 6.618 1.00 0.00 C ATOM 1192 O ALA A 77 11.728 0.333 7.257 1.00 0.00 O ATOM 1193 CB ALA A 77 10.924 1.917 4.229 1.00 0.00 C ATOM 0 H ALA A 77 9.580 3.518 5.520 1.00 0.00 H new ATOM 0 HA ALA A 77 9.889 0.738 5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.537 1.087 3.876 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.044 2.014 3.593 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.504 2.839 4.189 1.00 0.00 H new ATOM 1199 N LYS A 78 12.614 2.328 6.709 1.00 0.00 N ATOM 1200 CA LYS A 78 13.830 2.149 7.495 1.00 0.00 C ATOM 1201 C LYS A 78 13.498 1.849 8.959 1.00 0.00 C ATOM 1202 O LYS A 78 14.193 1.044 9.576 1.00 0.00 O ATOM 1203 CB LYS A 78 14.739 3.387 7.350 1.00 0.00 C ATOM 1204 CG LYS A 78 15.867 3.206 6.309 1.00 0.00 C ATOM 1205 CD LYS A 78 15.490 3.638 4.883 1.00 0.00 C ATOM 1206 CE LYS A 78 16.126 4.965 4.444 1.00 0.00 C ATOM 1207 NZ LYS A 78 17.594 4.951 4.324 1.00 0.00 N ATOM 0 H LYS A 78 12.556 3.231 6.238 1.00 0.00 H new ATOM 0 HA LYS A 78 14.375 1.286 7.112 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.129 4.245 7.067 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.183 3.617 8.319 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.737 3.778 6.631 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.164 2.157 6.291 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.789 2.855 4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.406 3.727 4.816 1.00 0.00 H new ATOM 0 HE2 LYS A 78 15.702 5.251 3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 78 15.844 5.738 5.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.981 5.844 4.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.980 4.156 4.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.860 4.843 3.324 1.00 0.00 H new ATOM 1221 N LYS A 79 12.427 2.418 9.507 1.00 0.00 N ATOM 1222 CA LYS A 79 11.931 2.204 10.862 1.00 0.00 C ATOM 1223 C LYS A 79 11.744 0.725 11.179 1.00 0.00 C ATOM 1224 O LYS A 79 12.092 0.308 12.282 1.00 0.00 O ATOM 1225 CB LYS A 79 10.620 2.982 11.003 1.00 0.00 C ATOM 1226 CG LYS A 79 10.005 2.902 12.400 1.00 0.00 C ATOM 1227 CD LYS A 79 8.901 3.949 12.550 1.00 0.00 C ATOM 1228 CE LYS A 79 7.629 3.565 11.789 1.00 0.00 C ATOM 1229 NZ LYS A 79 6.472 3.476 12.697 1.00 0.00 N ATOM 0 H LYS A 79 11.850 3.078 8.986 1.00 0.00 H new ATOM 0 HA LYS A 79 12.664 2.566 11.583 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.800 4.028 10.754 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.902 2.601 10.277 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.597 1.906 12.569 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.775 3.064 13.154 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.665 4.076 13.607 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.263 4.910 12.186 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.429 4.304 11.013 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.776 2.608 11.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.624 3.214 12.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.655 2.754 13.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.319 4.397 13.156 1.00 0.00 H new ATOM 1243 N HIS A 80 11.185 -0.064 10.260 1.00 0.00 N ATOM 1244 CA HIS A 80 10.956 -1.489 10.476 1.00 0.00 C ATOM 1245 C HIS A 80 12.207 -2.320 10.149 1.00 0.00 C ATOM 1246 O HIS A 80 12.141 -3.542 10.189 1.00 0.00 O ATOM 1247 CB HIS A 80 9.764 -1.946 9.627 1.00 0.00 C ATOM 1248 CG HIS A 80 8.463 -1.321 10.045 1.00 0.00 C ATOM 1249 ND1 HIS A 80 8.181 0.019 10.098 1.00 0.00 N ATOM 1250 CD2 HIS A 80 7.365 -1.988 10.503 1.00 0.00 C ATOM 1251 CE1 HIS A 80 6.976 0.149 10.661 1.00 0.00 C ATOM 1252 NE2 HIS A 80 6.417 -1.046 10.907 1.00 0.00 N ATOM 0 H HIS A 80 10.879 0.269 9.346 1.00 0.00 H new ATOM 0 HA HIS A 80 10.733 -1.648 11.531 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.957 -1.703 8.582 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.675 -3.030 9.691 1.00 0.00 H new ATOM 0 HD1 HIS A 80 8.780 0.776 9.769 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.249 -3.061 10.546 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.511 1.096 10.889 1.00 0.00 H new ATOM 1260 N GLY A 81 13.326 -1.696 9.768 1.00 0.00 N ATOM 1261 CA GLY A 81 14.509 -2.411 9.318 1.00 0.00 C ATOM 1262 C GLY A 81 14.497 -2.660 7.815 1.00 0.00 C ATOM 1263 O GLY A 81 15.169 -3.591 7.359 1.00 0.00 O ATOM 0 H GLY A 81 13.430 -0.681 9.765 1.00 0.00 H new ATOM 0 HA2 GLY A 81 15.399 -1.839 9.582 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.576 -3.365 9.842 1.00 0.00 H new ATOM 1267 N ALA A 82 13.761 -1.866 7.015 1.00 0.00 N ATOM 1268 CA ALA A 82 13.933 -1.945 5.569 1.00 0.00 C ATOM 1269 C ALA A 82 15.389 -1.659 5.259 1.00 0.00 C ATOM 1270 O ALA A 82 16.046 -0.871 5.950 1.00 0.00 O ATOM 1271 CB ALA A 82 13.069 -0.964 4.784 1.00 0.00 C ATOM 0 H ALA A 82 13.069 -1.190 7.337 1.00 0.00 H new ATOM 0 HA ALA A 82 13.622 -2.944 5.262 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.256 -1.087 3.717 1.00 0.00 H new ATOM 0 HB2 ALA A 82 12.017 -1.158 4.992 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.315 0.056 5.080 1.00 0.00 H new ATOM 1277 N ASP A 83 15.880 -2.317 4.222 1.00 0.00 N ATOM 1278 CA ASP A 83 17.217 -2.068 3.731 1.00 0.00 C ATOM 1279 C ASP A 83 17.175 -0.735 2.967 1.00 0.00 C ATOM 1280 O ASP A 83 16.110 -0.237 2.586 1.00 0.00 O ATOM 1281 CB ASP A 83 17.736 -3.252 2.898 1.00 0.00 C ATOM 1282 CG ASP A 83 17.328 -4.648 3.397 1.00 0.00 C ATOM 1283 OD1 ASP A 83 17.700 -5.041 4.527 1.00 0.00 O ATOM 1284 OD2 ASP A 83 16.663 -5.384 2.630 1.00 0.00 O ATOM 0 H ASP A 83 15.366 -3.030 3.704 1.00 0.00 H new ATOM 0 HA ASP A 83 17.934 -1.981 4.547 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.382 -3.135 1.874 1.00 0.00 H new ATOM 0 HB3 ASP A 83 18.824 -3.201 2.867 1.00 0.00 H new ATOM 1289 N GLU A 84 18.333 -0.137 2.746 1.00 0.00 N ATOM 1290 CA GLU A 84 18.500 1.188 2.174 1.00 0.00 C ATOM 1291 C GLU A 84 18.030 1.232 0.712 1.00 0.00 C ATOM 1292 O GLU A 84 17.081 1.959 0.403 1.00 0.00 O ATOM 1293 CB GLU A 84 19.974 1.587 2.385 1.00 0.00 C ATOM 1294 CG GLU A 84 20.117 3.042 2.814 1.00 0.00 C ATOM 1295 CD GLU A 84 19.866 4.019 1.679 1.00 0.00 C ATOM 1296 OE1 GLU A 84 20.555 3.923 0.636 1.00 0.00 O ATOM 1297 OE2 GLU A 84 18.961 4.863 1.866 1.00 0.00 O ATOM 0 H GLU A 84 19.223 -0.582 2.971 1.00 0.00 H new ATOM 0 HA GLU A 84 17.869 1.925 2.671 1.00 0.00 H new ATOM 0 HB2 GLU A 84 20.420 0.941 3.141 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.529 1.426 1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 84 19.418 3.247 3.625 1.00 0.00 H new ATOM 0 HG3 GLU A 84 21.120 3.202 3.210 1.00 0.00 H new ATOM 1304 N THR A 85 18.618 0.412 -0.169 1.00 0.00 N ATOM 1305 CA THR A 85 18.197 0.297 -1.564 1.00 0.00 C ATOM 1306 C THR A 85 16.757 -0.203 -1.626 1.00 0.00 C ATOM 1307 O THR A 85 16.006 0.205 -2.508 1.00 0.00 O ATOM 1308 CB THR A 85 19.123 -0.667 -2.330 1.00 0.00 C ATOM 1309 OG1 THR A 85 20.461 -0.225 -2.222 1.00 0.00 O ATOM 1310 CG2 THR A 85 18.743 -0.804 -3.812 1.00 0.00 C ATOM 0 H THR A 85 19.404 -0.192 0.072 1.00 0.00 H new ATOM 0 HA THR A 85 18.259 1.280 -2.032 1.00 0.00 H new ATOM 0 HB THR A 85 19.009 -1.652 -1.876 1.00 0.00 H new ATOM 0 HG1 THR A 85 21.049 -0.840 -2.708 1.00 0.00 H new ATOM 0 HG21 THR A 85 19.429 -1.495 -4.301 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.725 -1.185 -3.893 1.00 0.00 H new ATOM 0 HG23 THR A 85 18.805 0.171 -4.295 1.00 0.00 H new ATOM 1318 N MET A 86 16.355 -1.075 -0.692 1.00 0.00 N ATOM 1319 CA MET A 86 14.990 -1.552 -0.602 1.00 0.00 C ATOM 1320 C MET A 86 14.055 -0.353 -0.523 1.00 0.00 C ATOM 1321 O MET A 86 13.188 -0.193 -1.373 1.00 0.00 O ATOM 1322 CB MET A 86 14.838 -2.525 0.582 1.00 0.00 C ATOM 1323 CG MET A 86 13.417 -2.609 1.128 1.00 0.00 C ATOM 1324 SD MET A 86 13.140 -3.937 2.330 1.00 0.00 S ATOM 1325 CE MET A 86 11.355 -3.737 2.552 1.00 0.00 C ATOM 0 H MET A 86 16.976 -1.463 0.018 1.00 0.00 H new ATOM 0 HA MET A 86 14.721 -2.121 -1.492 1.00 0.00 H new ATOM 0 HB2 MET A 86 15.156 -3.519 0.267 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.508 -2.215 1.384 1.00 0.00 H new ATOM 0 HG2 MET A 86 13.166 -1.657 1.596 1.00 0.00 H new ATOM 0 HG3 MET A 86 12.730 -2.745 0.293 1.00 0.00 H new ATOM 0 HE1 MET A 86 10.972 -4.550 3.168 1.00 0.00 H new ATOM 0 HE2 MET A 86 11.154 -2.785 3.042 1.00 0.00 H new ATOM 0 HE3 MET A 86 10.863 -3.755 1.579 1.00 0.00 H new ATOM 1335 N ALA A 87 14.213 0.493 0.488 1.00 0.00 N ATOM 1336 CA ALA A 87 13.295 1.595 0.681 1.00 0.00 C ATOM 1337 C ALA A 87 13.303 2.568 -0.490 1.00 0.00 C ATOM 1338 O ALA A 87 12.228 3.096 -0.792 1.00 0.00 O ATOM 1339 CB ALA A 87 13.562 2.213 2.035 1.00 0.00 C ATOM 0 H ALA A 87 14.962 0.434 1.178 1.00 0.00 H new ATOM 0 HA ALA A 87 12.266 1.234 0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.878 3.046 2.196 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.412 1.464 2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.589 2.575 2.074 1.00 0.00 H new ATOM 1345 N GLN A 88 14.444 2.765 -1.163 1.00 0.00 N ATOM 1346 CA GLN A 88 14.460 3.515 -2.410 1.00 0.00 C ATOM 1347 C GLN A 88 13.543 2.852 -3.437 1.00 0.00 C ATOM 1348 O GLN A 88 12.710 3.549 -4.013 1.00 0.00 O ATOM 1349 CB GLN A 88 15.889 3.690 -2.946 1.00 0.00 C ATOM 1350 CG GLN A 88 15.929 4.441 -4.290 1.00 0.00 C ATOM 1351 CD GLN A 88 15.421 5.878 -4.186 1.00 0.00 C ATOM 1352 OE1 GLN A 88 16.207 6.803 -4.013 1.00 0.00 O ATOM 1353 NE2 GLN A 88 14.117 6.096 -4.251 1.00 0.00 N ATOM 0 H GLN A 88 15.355 2.417 -0.863 1.00 0.00 H new ATOM 0 HA GLN A 88 14.077 4.517 -2.213 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.484 4.234 -2.212 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.350 2.710 -3.068 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.952 4.450 -4.665 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.327 3.900 -5.020 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.476 5.316 -4.395 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.753 7.044 -4.157 1.00 0.00 H new ATOM 1362 N GLN A 89 13.694 1.546 -3.661 1.00 0.00 N ATOM 1363 CA GLN A 89 12.918 0.770 -4.611 1.00 0.00 C ATOM 1364 C GLN A 89 11.418 0.952 -4.387 1.00 0.00 C ATOM 1365 O GLN A 89 10.735 1.361 -5.323 1.00 0.00 O ATOM 1366 CB GLN A 89 13.347 -0.710 -4.547 1.00 0.00 C ATOM 1367 CG GLN A 89 14.224 -1.070 -5.745 1.00 0.00 C ATOM 1368 CD GLN A 89 14.770 -2.466 -5.702 1.00 0.00 C ATOM 1369 OE1 GLN A 89 15.324 -2.961 -4.718 1.00 0.00 O ATOM 1370 NE2 GLN A 89 14.729 -3.107 -6.833 1.00 0.00 N ATOM 0 H GLN A 89 14.387 0.986 -3.165 1.00 0.00 H new ATOM 0 HA GLN A 89 13.120 1.135 -5.618 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.892 -0.896 -3.622 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.464 -1.349 -4.531 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.642 -0.946 -6.659 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.055 -0.367 -5.798 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.268 -2.688 -7.640 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.158 -4.029 -6.912 1.00 0.00 H new ATOM 1379 N LEU A 90 10.873 0.687 -3.187 1.00 0.00 N ATOM 1380 CA LEU A 90 9.454 0.901 -2.953 1.00 0.00 C ATOM 1381 C LEU A 90 9.004 2.305 -3.308 1.00 0.00 C ATOM 1382 O LEU A 90 7.917 2.429 -3.859 1.00 0.00 O ATOM 1383 CB LEU A 90 9.106 0.578 -1.500 1.00 0.00 C ATOM 1384 CG LEU A 90 9.257 -0.892 -1.074 1.00 0.00 C ATOM 1385 CD1 LEU A 90 9.010 -1.939 -2.168 1.00 0.00 C ATOM 1386 CD2 LEU A 90 10.521 -1.190 -0.279 1.00 0.00 C ATOM 0 H LEU A 90 11.391 0.331 -2.384 1.00 0.00 H new ATOM 0 HA LEU A 90 8.915 0.224 -3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.737 1.188 -0.853 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.075 0.882 -1.319 1.00 0.00 H new ATOM 0 HG LEU A 90 8.419 -1.006 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 90 9.145 -2.938 -1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.993 -1.837 -2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.717 -1.787 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.547 -2.248 -0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.396 -0.942 -0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.526 -0.593 0.633 1.00 0.00 H new ATOM 1398 N ILE A 91 9.784 3.348 -3.031 1.00 0.00 N ATOM 1399 CA ILE A 91 9.374 4.684 -3.436 1.00 0.00 C ATOM 1400 C ILE A 91 9.513 4.877 -4.933 1.00 0.00 C ATOM 1401 O ILE A 91 8.635 5.509 -5.503 1.00 0.00 O ATOM 1402 CB ILE A 91 10.093 5.747 -2.596 1.00 0.00 C ATOM 1403 CG1 ILE A 91 9.306 5.847 -1.276 1.00 0.00 C ATOM 1404 CG2 ILE A 91 10.134 7.128 -3.272 1.00 0.00 C ATOM 1405 CD1 ILE A 91 10.226 6.140 -0.098 1.00 0.00 C ATOM 0 H ILE A 91 10.678 3.295 -2.542 1.00 0.00 H new ATOM 0 HA ILE A 91 8.310 4.808 -3.232 1.00 0.00 H new ATOM 0 HB ILE A 91 11.133 5.453 -2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 91 8.556 6.633 -1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 91 8.772 4.914 -1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.656 7.834 -2.626 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.658 7.051 -4.224 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.117 7.479 -3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.637 6.204 0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 91 10.960 5.340 -0.002 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.741 7.086 -0.265 1.00 0.00 H new ATOM 1417 N ASP A 92 10.542 4.355 -5.595 1.00 0.00 N ATOM 1418 CA ASP A 92 10.659 4.557 -7.033 1.00 0.00 C ATOM 1419 C ASP A 92 9.469 3.926 -7.758 1.00 0.00 C ATOM 1420 O ASP A 92 8.969 4.494 -8.730 1.00 0.00 O ATOM 1421 CB ASP A 92 11.973 3.978 -7.579 1.00 0.00 C ATOM 1422 CG ASP A 92 12.166 4.356 -9.053 1.00 0.00 C ATOM 1423 OD1 ASP A 92 11.948 5.534 -9.428 1.00 0.00 O ATOM 1424 OD2 ASP A 92 12.559 3.493 -9.867 1.00 0.00 O ATOM 0 H ASP A 92 11.288 3.803 -5.171 1.00 0.00 H new ATOM 0 HA ASP A 92 10.662 5.632 -7.216 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.812 4.351 -6.991 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.968 2.893 -7.475 1.00 0.00 H new ATOM 1429 N ILE A 93 8.975 2.797 -7.242 1.00 0.00 N ATOM 1430 CA ILE A 93 7.800 2.115 -7.746 1.00 0.00 C ATOM 1431 C ILE A 93 6.545 2.921 -7.369 1.00 0.00 C ATOM 1432 O ILE A 93 5.787 3.289 -8.261 1.00 0.00 O ATOM 1433 CB ILE A 93 7.779 0.659 -7.223 1.00 0.00 C ATOM 1434 CG1 ILE A 93 9.050 -0.135 -7.626 1.00 0.00 C ATOM 1435 CG2 ILE A 93 6.563 -0.055 -7.830 1.00 0.00 C ATOM 1436 CD1 ILE A 93 9.383 -1.336 -6.729 1.00 0.00 C ATOM 0 H ILE A 93 9.399 2.327 -6.442 1.00 0.00 H new ATOM 0 HA ILE A 93 7.822 2.052 -8.834 1.00 0.00 H new ATOM 0 HB ILE A 93 7.735 0.698 -6.135 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.928 -0.489 -8.650 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.901 0.547 -7.624 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.530 -1.084 -7.473 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.651 0.462 -7.531 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.643 -0.050 -8.917 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.287 -1.823 -7.094 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.543 -0.993 -5.707 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.556 -2.045 -6.749 1.00 0.00 H new ATOM 1448 N VAL A 94 6.310 3.192 -6.078 1.00 0.00 N ATOM 1449 CA VAL A 94 5.116 3.882 -5.581 1.00 0.00 C ATOM 1450 C VAL A 94 4.999 5.266 -6.231 1.00 0.00 C ATOM 1451 O VAL A 94 4.014 5.539 -6.925 1.00 0.00 O ATOM 1452 CB VAL A 94 5.109 3.904 -4.026 1.00 0.00 C ATOM 1453 CG1 VAL A 94 3.989 4.792 -3.467 1.00 0.00 C ATOM 1454 CG2 VAL A 94 4.807 2.499 -3.491 1.00 0.00 C ATOM 0 H VAL A 94 6.959 2.931 -5.336 1.00 0.00 H new ATOM 0 HA VAL A 94 4.218 3.336 -5.871 1.00 0.00 H new ATOM 0 HB VAL A 94 6.087 4.277 -3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.022 4.777 -2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.125 5.814 -3.820 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.023 4.416 -3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 94 4.803 2.518 -2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.831 2.174 -3.852 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.572 1.805 -3.839 1.00 0.00 H new ATOM 1464 N HIS A 95 6.034 6.101 -6.086 1.00 0.00 N ATOM 1465 CA HIS A 95 6.078 7.432 -6.670 1.00 0.00 C ATOM 1466 C HIS A 95 5.863 7.324 -8.191 1.00 0.00 C ATOM 1467 O HIS A 95 5.214 8.168 -8.811 1.00 0.00 O ATOM 1468 CB HIS A 95 7.445 8.106 -6.454 1.00 0.00 C ATOM 1469 CG HIS A 95 7.485 9.549 -6.915 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.562 10.164 -7.514 1.00 0.00 N ATOM 1471 CD2 HIS A 95 6.492 10.488 -6.791 1.00 0.00 C ATOM 1472 CE1 HIS A 95 8.229 11.447 -7.738 1.00 0.00 C ATOM 1473 NE2 HIS A 95 6.966 11.687 -7.343 1.00 0.00 N ATOM 0 H HIS A 95 6.870 5.862 -5.553 1.00 0.00 H new ATOM 0 HA HIS A 95 5.301 8.025 -6.188 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.699 8.064 -5.395 1.00 0.00 H new ATOM 0 HB3 HIS A 95 8.209 7.541 -6.988 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.520 10.332 -6.348 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.886 12.184 -8.175 1.00 0.00 H new ATOM 0 HE2 HIS A 95 6.455 12.566 -7.428 1.00 0.00 H new ATOM 1481 N GLY A 96 6.442 6.278 -8.794 1.00 0.00 N ATOM 1482 CA GLY A 96 6.393 5.929 -10.204 1.00 0.00 C ATOM 1483 C GLY A 96 5.102 5.216 -10.599 1.00 0.00 C ATOM 1484 O GLY A 96 5.057 4.605 -11.667 1.00 0.00 O ATOM 0 H GLY A 96 6.997 5.608 -8.261 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.498 6.835 -10.801 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.242 5.289 -10.444 1.00 0.00 H new ATOM 1488 N CYS A 97 4.054 5.301 -9.782 1.00 0.00 N ATOM 1489 CA CYS A 97 2.696 4.926 -10.116 1.00 0.00 C ATOM 1490 C CYS A 97 1.745 6.081 -9.827 1.00 0.00 C ATOM 1491 O CYS A 97 0.849 6.266 -10.636 1.00 0.00 O ATOM 1492 CB CYS A 97 2.272 3.664 -9.383 1.00 0.00 C ATOM 1493 SG CYS A 97 2.869 2.130 -10.124 1.00 0.00 S ATOM 0 H CYS A 97 4.140 5.650 -8.827 1.00 0.00 H new ATOM 0 HA CYS A 97 2.655 4.706 -11.183 1.00 0.00 H new ATOM 0 HB2 CYS A 97 2.630 3.719 -8.355 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.183 3.632 -9.341 1.00 0.00 H new ATOM 1498 N GLU A 98 1.936 6.915 -8.794 1.00 0.00 N ATOM 1499 CA GLU A 98 1.024 8.006 -8.431 1.00 0.00 C ATOM 1500 C GLU A 98 0.550 8.900 -9.601 1.00 0.00 C ATOM 1501 O GLU A 98 -0.529 9.477 -9.531 1.00 0.00 O ATOM 1502 CB GLU A 98 1.651 8.846 -7.292 1.00 0.00 C ATOM 1503 CG GLU A 98 0.849 8.754 -5.976 1.00 0.00 C ATOM 1504 CD GLU A 98 1.357 7.803 -4.891 1.00 0.00 C ATOM 1505 OE1 GLU A 98 2.522 7.378 -4.932 1.00 0.00 O ATOM 1506 OE2 GLU A 98 0.547 7.521 -3.968 1.00 0.00 O ATOM 0 H GLU A 98 2.745 6.847 -8.177 1.00 0.00 H new ATOM 0 HA GLU A 98 0.107 7.526 -8.090 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.672 8.507 -7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.711 9.888 -7.605 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.797 9.754 -5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.171 8.461 -6.226 1.00 0.00 H new ATOM 1513 N LYS A 99 1.286 8.991 -10.707 1.00 0.00 N ATOM 1514 CA LYS A 99 0.912 9.736 -11.908 1.00 0.00 C ATOM 1515 C LYS A 99 1.109 8.932 -13.192 1.00 0.00 C ATOM 1516 O LYS A 99 0.434 9.165 -14.200 1.00 0.00 O ATOM 1517 CB LYS A 99 1.684 11.056 -11.938 1.00 0.00 C ATOM 1518 CG LYS A 99 3.190 11.010 -11.618 1.00 0.00 C ATOM 1519 CD LYS A 99 3.524 11.020 -10.114 1.00 0.00 C ATOM 1520 CE LYS A 99 4.950 11.511 -9.867 1.00 0.00 C ATOM 1521 NZ LYS A 99 5.987 10.502 -10.155 1.00 0.00 N ATOM 0 H LYS A 99 2.192 8.531 -10.795 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.157 9.944 -11.862 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.565 11.492 -12.930 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.211 11.738 -11.231 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.617 10.113 -12.066 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.675 11.864 -12.091 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.819 11.663 -9.587 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.407 10.016 -9.706 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.133 12.392 -10.483 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.041 11.825 -8.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.928 10.916 -9.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.859 9.684 -9.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.906 10.194 -11.145 1.00 0.00 H new ATOM 1535 N SER A 100 2.015 7.965 -13.152 1.00 0.00 N ATOM 1536 CA SER A 100 2.237 6.960 -14.173 1.00 0.00 C ATOM 1537 C SER A 100 0.984 6.105 -14.413 1.00 0.00 C ATOM 1538 O SER A 100 0.614 5.877 -15.568 1.00 0.00 O ATOM 1539 CB SER A 100 3.398 6.114 -13.671 1.00 0.00 C ATOM 1540 OG SER A 100 4.597 6.866 -13.669 1.00 0.00 O ATOM 0 H SER A 100 2.649 7.858 -12.360 1.00 0.00 H new ATOM 0 HA SER A 100 2.463 7.420 -15.135 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.185 5.756 -12.664 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.515 5.235 -14.304 1.00 0.00 H new ATOM 0 HG SER A 100 5.233 6.467 -13.039 1.00 0.00 H new ATOM 1546 N THR A 101 0.341 5.639 -13.341 1.00 0.00 N ATOM 1547 CA THR A 101 -0.901 4.887 -13.364 1.00 0.00 C ATOM 1548 C THR A 101 -2.048 5.850 -13.692 1.00 0.00 C ATOM 1549 O THR A 101 -2.244 6.818 -12.956 1.00 0.00 O ATOM 1550 CB THR A 101 -1.101 4.251 -11.982 1.00 0.00 C ATOM 1551 OG1 THR A 101 -0.143 3.226 -11.793 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.469 3.590 -11.811 1.00 0.00 C ATOM 0 H THR A 101 0.693 5.785 -12.395 1.00 0.00 H new ATOM 0 HA THR A 101 -0.876 4.101 -14.119 1.00 0.00 H new ATOM 0 HB THR A 101 -1.005 5.065 -11.263 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.172 2.919 -10.863 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.543 3.161 -10.812 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.253 4.336 -11.945 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.588 2.802 -12.554 1.00 0.00 H new ATOM 1560 N PRO A 102 -2.812 5.597 -14.764 1.00 0.00 N ATOM 1561 CA PRO A 102 -4.034 6.324 -15.056 1.00 0.00 C ATOM 1562 C PRO A 102 -5.170 5.863 -14.149 1.00 0.00 C ATOM 1563 O PRO A 102 -5.281 4.678 -13.815 1.00 0.00 O ATOM 1564 CB PRO A 102 -4.323 6.019 -16.521 1.00 0.00 C ATOM 1565 CG PRO A 102 -3.763 4.609 -16.716 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.612 4.524 -15.725 1.00 0.00 C ATOM 0 HA PRO A 102 -3.935 7.395 -14.879 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.391 6.059 -16.735 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -3.839 6.737 -17.183 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.518 3.849 -16.515 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.420 4.455 -17.739 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.600 3.555 -15.227 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.654 4.633 -16.233 1.00 0.00 H new ATOM 1574 N ALA A 103 -6.039 6.800 -13.779 1.00 0.00 N ATOM 1575 CA ALA A 103 -7.235 6.574 -12.994 1.00 0.00 C ATOM 1576 C ALA A 103 -8.272 7.654 -13.295 1.00 0.00 C ATOM 1577 O ALA A 103 -8.090 8.480 -14.189 1.00 0.00 O ATOM 1578 CB ALA A 103 -6.852 6.552 -11.517 1.00 0.00 C ATOM 0 H ALA A 103 -5.917 7.780 -14.033 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.684 5.615 -13.252 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.743 6.383 -10.913 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.135 5.751 -11.339 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.404 7.507 -11.243 1.00 0.00 H new ATOM 1584 N ASN A 104 -9.377 7.614 -12.552 1.00 0.00 N ATOM 1585 CA ASN A 104 -10.411 8.650 -12.557 1.00 0.00 C ATOM 1586 C ASN A 104 -10.304 9.503 -11.303 1.00 0.00 C ATOM 1587 O ASN A 104 -9.494 9.229 -10.415 1.00 0.00 O ATOM 1588 CB ASN A 104 -11.855 8.111 -12.642 1.00 0.00 C ATOM 1589 CG ASN A 104 -11.955 6.697 -13.128 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -12.130 6.429 -14.311 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -11.891 5.758 -12.206 1.00 0.00 N ATOM 0 H ASN A 104 -9.584 6.844 -11.916 1.00 0.00 H new ATOM 0 HA ASN A 104 -10.225 9.230 -13.461 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -12.314 8.178 -11.656 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -12.432 8.754 -13.307 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -11.988 4.777 -12.469 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -11.744 6.012 -11.229 1.00 0.00 H new ATOM 1598 N ASP A 105 -11.205 10.477 -11.194 1.00 0.00 N ATOM 1599 CA ASP A 105 -11.412 11.314 -10.017 1.00 0.00 C ATOM 1600 C ASP A 105 -11.849 10.513 -8.790 1.00 0.00 C ATOM 1601 O ASP A 105 -11.837 11.048 -7.682 1.00 0.00 O ATOM 1602 CB ASP A 105 -12.445 12.410 -10.320 1.00 0.00 C ATOM 1603 CG ASP A 105 -11.847 13.784 -10.062 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -11.803 14.252 -8.904 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -11.349 14.398 -11.037 1.00 0.00 O ATOM 0 H ASP A 105 -11.838 10.714 -11.958 1.00 0.00 H new ATOM 0 HA ASP A 105 -10.449 11.767 -9.779 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.770 12.336 -11.358 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -13.329 12.268 -9.698 1.00 0.00 H new ATOM 1610 N ASP A 106 -12.204 9.228 -8.937 1.00 0.00 N ATOM 1611 CA ASP A 106 -12.341 8.342 -7.802 1.00 0.00 C ATOM 1612 C ASP A 106 -10.924 8.101 -7.292 1.00 0.00 C ATOM 1613 O ASP A 106 -10.230 7.199 -7.772 1.00 0.00 O ATOM 1614 CB ASP A 106 -13.048 7.037 -8.218 1.00 0.00 C ATOM 1615 CG ASP A 106 -14.519 6.940 -7.799 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -14.894 7.441 -6.715 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -15.322 6.348 -8.559 1.00 0.00 O ATOM 0 H ASP A 106 -12.399 8.791 -9.838 1.00 0.00 H new ATOM 0 HA ASP A 106 -12.960 8.771 -7.014 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -12.986 6.937 -9.302 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -12.506 6.194 -7.788 1.00 0.00 H new ATOM 1622 N LYS A 107 -10.456 8.909 -6.337 1.00 0.00 N ATOM 1623 CA LYS A 107 -9.196 8.725 -5.663 1.00 0.00 C ATOM 1624 C LYS A 107 -9.088 7.339 -5.052 1.00 0.00 C ATOM 1625 O LYS A 107 -7.977 6.805 -5.011 1.00 0.00 O ATOM 1626 CB LYS A 107 -9.053 9.849 -4.630 1.00 0.00 C ATOM 1627 CG LYS A 107 -8.094 10.908 -5.152 1.00 0.00 C ATOM 1628 CD LYS A 107 -8.455 11.591 -6.480 1.00 0.00 C ATOM 1629 CE LYS A 107 -7.141 12.072 -7.101 1.00 0.00 C ATOM 1630 NZ LYS A 107 -7.352 12.887 -8.313 1.00 0.00 N ATOM 0 H LYS A 107 -10.968 9.729 -6.012 1.00 0.00 H new ATOM 0 HA LYS A 107 -8.369 8.785 -6.371 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -10.027 10.295 -4.427 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.685 9.445 -3.687 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -7.998 11.681 -4.390 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -7.112 10.448 -5.265 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.966 10.896 -7.146 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.133 12.428 -6.313 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -6.588 12.657 -6.366 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -6.524 11.209 -7.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -6.432 13.187 -8.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -7.855 12.323 -9.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -7.918 13.726 -8.073 1.00 0.00 H new ATOM 1644 N CYS A 108 -10.213 6.703 -4.703 1.00 0.00 N ATOM 1645 CA CYS A 108 -10.226 5.314 -4.284 1.00 0.00 C ATOM 1646 C CYS A 108 -9.557 4.482 -5.374 1.00 0.00 C ATOM 1647 O CYS A 108 -8.637 3.716 -5.093 1.00 0.00 O ATOM 1648 CB CYS A 108 -11.645 4.789 -4.037 1.00 0.00 C ATOM 1649 SG CYS A 108 -12.722 5.618 -2.841 1.00 0.00 S ATOM 0 H CYS A 108 -11.133 7.144 -4.706 1.00 0.00 H new ATOM 0 HA CYS A 108 -9.689 5.236 -3.339 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -12.163 4.792 -4.996 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -11.556 3.748 -3.726 1.00 0.00 H new ATOM 1654 N ILE A 109 -10.054 4.594 -6.609 1.00 0.00 N ATOM 1655 CA ILE A 109 -9.620 3.819 -7.766 1.00 0.00 C ATOM 1656 C ILE A 109 -8.171 4.144 -8.080 1.00 0.00 C ATOM 1657 O ILE A 109 -7.393 3.222 -8.302 1.00 0.00 O ATOM 1658 CB ILE A 109 -10.594 4.050 -8.929 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -11.913 3.330 -8.540 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -9.999 3.588 -10.273 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -12.752 2.766 -9.679 1.00 0.00 C ATOM 0 H ILE A 109 -10.798 5.254 -6.835 1.00 0.00 H new ATOM 0 HA ILE A 109 -9.647 2.749 -7.561 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.793 5.110 -9.087 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -11.666 2.512 -7.863 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -12.530 4.032 -7.979 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.719 3.768 -11.071 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -9.085 4.145 -10.477 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.772 2.523 -10.223 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -13.644 2.290 -9.272 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -13.045 3.574 -10.349 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -12.168 2.030 -10.231 1.00 0.00 H new ATOM 1673 N TRP A 110 -7.800 5.423 -8.070 1.00 0.00 N ATOM 1674 CA TRP A 110 -6.442 5.847 -8.245 1.00 0.00 C ATOM 1675 C TRP A 110 -5.496 5.117 -7.295 1.00 0.00 C ATOM 1676 O TRP A 110 -4.625 4.391 -7.774 1.00 0.00 O ATOM 1677 CB TRP A 110 -6.418 7.369 -8.130 1.00 0.00 C ATOM 1678 CG TRP A 110 -5.067 7.947 -8.216 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -4.200 7.759 -9.227 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -4.383 8.719 -7.201 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -3.046 8.463 -8.948 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -3.107 9.076 -7.710 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -4.720 9.135 -5.899 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -2.220 9.862 -6.967 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -3.825 9.916 -5.145 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -2.566 10.255 -5.670 1.00 0.00 C ATOM 0 H TRP A 110 -8.456 6.193 -7.937 1.00 0.00 H new ATOM 0 HA TRP A 110 -6.066 5.578 -9.232 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -7.037 7.794 -8.920 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -6.869 7.660 -7.181 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -4.377 7.159 -10.108 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -2.246 8.524 -9.578 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -5.673 8.853 -5.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -1.274 10.163 -7.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -4.106 10.256 -4.159 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -1.866 10.819 -5.072 1.00 0.00 H new ATOM 1697 N THR A 111 -5.672 5.233 -5.980 1.00 0.00 N ATOM 1698 CA THR A 111 -4.736 4.615 -5.050 1.00 0.00 C ATOM 1699 C THR A 111 -4.832 3.071 -5.057 1.00 0.00 C ATOM 1700 O THR A 111 -3.834 2.403 -4.773 1.00 0.00 O ATOM 1701 CB THR A 111 -4.867 5.277 -3.670 1.00 0.00 C ATOM 1702 OG1 THR A 111 -4.683 6.670 -3.839 1.00 0.00 O ATOM 1703 CG2 THR A 111 -3.852 4.769 -2.646 1.00 0.00 C ATOM 0 H THR A 111 -6.441 5.741 -5.542 1.00 0.00 H new ATOM 0 HA THR A 111 -3.714 4.800 -5.381 1.00 0.00 H new ATOM 0 HB THR A 111 -5.854 5.029 -3.279 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.365 6.850 -4.748 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.006 5.282 -1.696 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.983 3.696 -2.505 1.00 0.00 H new ATOM 0 HG23 THR A 111 -2.842 4.967 -3.006 1.00 0.00 H new ATOM 1711 N LEU A 112 -5.964 2.472 -5.470 1.00 0.00 N ATOM 1712 CA LEU A 112 -6.046 1.050 -5.823 1.00 0.00 C ATOM 1713 C LEU A 112 -5.060 0.771 -6.958 1.00 0.00 C ATOM 1714 O LEU A 112 -4.267 -0.159 -6.851 1.00 0.00 O ATOM 1715 CB LEU A 112 -7.505 0.660 -6.176 1.00 0.00 C ATOM 1716 CG LEU A 112 -7.726 -0.453 -7.196 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -7.444 -1.834 -6.600 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -9.152 -0.449 -7.760 1.00 0.00 C ATOM 0 H LEU A 112 -6.850 2.967 -5.567 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.766 0.427 -4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.005 0.369 -5.252 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.009 1.554 -6.544 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.022 -0.254 -8.004 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.613 -2.599 -7.358 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.409 -1.880 -6.262 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.109 -2.008 -5.754 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.260 -1.259 -8.481 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.865 -0.589 -6.948 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.346 0.504 -8.253 1.00 0.00 H new ATOM 1730 N GLY A 113 -5.086 1.553 -8.035 1.00 0.00 N ATOM 1731 CA GLY A 113 -4.172 1.444 -9.162 1.00 0.00 C ATOM 1732 C GLY A 113 -2.719 1.490 -8.703 1.00 0.00 C ATOM 1733 O GLY A 113 -1.957 0.577 -9.021 1.00 0.00 O ATOM 0 H GLY A 113 -5.767 2.304 -8.148 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.358 0.512 -9.695 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.359 2.256 -9.865 1.00 0.00 H new ATOM 1737 N VAL A 114 -2.360 2.506 -7.914 1.00 0.00 N ATOM 1738 CA VAL A 114 -1.016 2.694 -7.366 1.00 0.00 C ATOM 1739 C VAL A 114 -0.602 1.484 -6.500 1.00 0.00 C ATOM 1740 O VAL A 114 0.572 1.119 -6.475 1.00 0.00 O ATOM 1741 CB VAL A 114 -0.947 4.051 -6.616 1.00 0.00 C ATOM 1742 CG1 VAL A 114 0.453 4.399 -6.091 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -1.346 5.241 -7.514 1.00 0.00 C ATOM 0 H VAL A 114 -3.012 3.238 -7.632 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.285 2.739 -8.174 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.643 3.910 -5.789 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.421 5.361 -5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.782 3.628 -5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.151 4.456 -6.926 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.281 6.166 -6.942 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.671 5.294 -8.368 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -2.368 5.104 -7.867 1.00 0.00 H new ATOM 1753 N ALA A 115 -1.545 0.794 -5.845 1.00 0.00 N ATOM 1754 CA ALA A 115 -1.262 -0.463 -5.159 1.00 0.00 C ATOM 1755 C ALA A 115 -1.134 -1.639 -6.134 1.00 0.00 C ATOM 1756 O ALA A 115 -0.311 -2.521 -5.910 1.00 0.00 O ATOM 1757 CB ALA A 115 -2.347 -0.750 -4.118 1.00 0.00 C ATOM 0 H ALA A 115 -2.518 1.093 -5.779 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.300 -0.353 -4.659 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -2.126 -1.690 -3.612 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.373 0.058 -3.387 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.316 -0.823 -4.613 1.00 0.00 H new ATOM 1763 N THR A 116 -1.923 -1.671 -7.207 1.00 0.00 N ATOM 1764 CA THR A 116 -2.023 -2.799 -8.121 1.00 0.00 C ATOM 1765 C THR A 116 -0.753 -2.922 -8.964 1.00 0.00 C ATOM 1766 O THR A 116 -0.202 -4.023 -9.069 1.00 0.00 O ATOM 1767 CB THR A 116 -3.289 -2.650 -8.984 1.00 0.00 C ATOM 1768 OG1 THR A 116 -4.451 -2.380 -8.214 1.00 0.00 O ATOM 1769 CG2 THR A 116 -3.602 -3.930 -9.747 1.00 0.00 C ATOM 0 H THR A 116 -2.525 -0.890 -7.468 1.00 0.00 H new ATOM 0 HA THR A 116 -2.113 -3.726 -7.554 1.00 0.00 H new ATOM 0 HB THR A 116 -3.065 -1.819 -9.653 1.00 0.00 H new ATOM 0 HG1 THR A 116 -4.519 -1.416 -8.052 1.00 0.00 H new ATOM 0 HG21 THR A 116 -4.502 -3.786 -10.345 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.767 -4.176 -10.402 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.762 -4.745 -9.041 1.00 0.00 H new ATOM 1777 N CYS A 117 -0.269 -1.816 -9.544 1.00 0.00 N ATOM 1778 CA CYS A 117 0.991 -1.814 -10.284 1.00 0.00 C ATOM 1779 C CYS A 117 2.111 -2.308 -9.362 1.00 0.00 C ATOM 1780 O CYS A 117 2.860 -3.218 -9.717 1.00 0.00 O ATOM 1781 CB CYS A 117 1.293 -0.409 -10.825 1.00 0.00 C ATOM 1782 SG CYS A 117 1.406 0.859 -9.540 1.00 0.00 S ATOM 0 H CYS A 117 -0.736 -0.910 -9.512 1.00 0.00 H new ATOM 0 HA CYS A 117 0.917 -2.484 -11.141 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.232 -0.437 -11.378 1.00 0.00 H new ATOM 0 HB3 CYS A 117 0.514 -0.127 -11.533 1.00 0.00 H new ATOM 1787 N PHE A 118 2.166 -1.738 -8.156 1.00 0.00 N ATOM 1788 CA PHE A 118 3.136 -2.005 -7.119 1.00 0.00 C ATOM 1789 C PHE A 118 3.119 -3.486 -6.745 1.00 0.00 C ATOM 1790 O PHE A 118 4.172 -4.109 -6.793 1.00 0.00 O ATOM 1791 CB PHE A 118 2.848 -1.059 -5.949 1.00 0.00 C ATOM 1792 CG PHE A 118 3.724 -1.244 -4.734 1.00 0.00 C ATOM 1793 CD1 PHE A 118 4.998 -0.654 -4.690 1.00 0.00 C ATOM 1794 CD2 PHE A 118 3.246 -1.966 -3.624 1.00 0.00 C ATOM 1795 CE1 PHE A 118 5.781 -0.759 -3.533 1.00 0.00 C ATOM 1796 CE2 PHE A 118 4.043 -2.092 -2.475 1.00 0.00 C ATOM 1797 CZ PHE A 118 5.307 -1.480 -2.425 1.00 0.00 C ATOM 0 H PHE A 118 1.485 -1.034 -7.870 1.00 0.00 H new ATOM 0 HA PHE A 118 4.153 -1.810 -7.459 1.00 0.00 H new ATOM 0 HB2 PHE A 118 2.955 -0.032 -6.300 1.00 0.00 H new ATOM 0 HB3 PHE A 118 1.808 -1.187 -5.649 1.00 0.00 H new ATOM 0 HD1 PHE A 118 5.374 -0.119 -5.549 1.00 0.00 H new ATOM 0 HD2 PHE A 118 2.268 -2.422 -3.656 1.00 0.00 H new ATOM 0 HE1 PHE A 118 6.751 -0.285 -3.493 1.00 0.00 H new ATOM 0 HE2 PHE A 118 3.684 -2.660 -1.629 1.00 0.00 H new ATOM 0 HZ PHE A 118 5.913 -1.564 -1.535 1.00 0.00 H new ATOM 1807 N LYS A 119 1.952 -4.083 -6.466 1.00 0.00 N ATOM 1808 CA LYS A 119 1.765 -5.513 -6.178 1.00 0.00 C ATOM 1809 C LYS A 119 2.546 -6.364 -7.178 1.00 0.00 C ATOM 1810 O LYS A 119 3.349 -7.207 -6.780 1.00 0.00 O ATOM 1811 CB LYS A 119 0.249 -5.832 -6.199 1.00 0.00 C ATOM 1812 CG LYS A 119 -0.097 -7.237 -5.687 1.00 0.00 C ATOM 1813 CD LYS A 119 -0.162 -8.372 -6.732 1.00 0.00 C ATOM 1814 CE LYS A 119 -1.549 -8.534 -7.381 1.00 0.00 C ATOM 1815 NZ LYS A 119 -1.670 -9.816 -8.119 1.00 0.00 N ATOM 0 H LYS A 119 1.076 -3.562 -6.433 1.00 0.00 H new ATOM 0 HA LYS A 119 2.155 -5.753 -5.189 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -0.276 -5.095 -5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -0.121 -5.726 -7.219 1.00 0.00 H new ATOM 0 HG2 LYS A 119 0.641 -7.513 -4.933 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -1.063 -7.185 -5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 119 0.575 -8.179 -7.512 1.00 0.00 H new ATOM 0 HD3 LYS A 119 0.118 -9.311 -6.254 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -2.318 -8.485 -6.610 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.729 -7.704 -8.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -2.596 -10.246 -7.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -1.584 -9.638 -9.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -0.915 -10.464 -7.816 1.00 0.00 H new ATOM 1829 N ALA A 120 2.355 -6.118 -8.478 1.00 0.00 N ATOM 1830 CA ALA A 120 3.029 -6.876 -9.525 1.00 0.00 C ATOM 1831 C ALA A 120 4.556 -6.707 -9.497 1.00 0.00 C ATOM 1832 O ALA A 120 5.271 -7.584 -9.978 1.00 0.00 O ATOM 1833 CB ALA A 120 2.468 -6.466 -10.889 1.00 0.00 C ATOM 0 H ALA A 120 1.731 -5.391 -8.828 1.00 0.00 H new ATOM 0 HA ALA A 120 2.835 -7.933 -9.343 1.00 0.00 H new ATOM 0 HB1 ALA A 120 2.970 -7.031 -11.674 1.00 0.00 H new ATOM 0 HB2 ALA A 120 1.398 -6.674 -10.920 1.00 0.00 H new ATOM 0 HB3 ALA A 120 2.635 -5.400 -11.046 1.00 0.00 H new ATOM 1839 N GLU A 121 5.081 -5.610 -8.960 1.00 0.00 N ATOM 1840 CA GLU A 121 6.516 -5.378 -8.803 1.00 0.00 C ATOM 1841 C GLU A 121 7.054 -6.151 -7.604 1.00 0.00 C ATOM 1842 O GLU A 121 8.165 -6.662 -7.663 1.00 0.00 O ATOM 1843 CB GLU A 121 6.821 -3.883 -8.650 1.00 0.00 C ATOM 1844 CG GLU A 121 6.275 -3.048 -9.816 1.00 0.00 C ATOM 1845 CD GLU A 121 7.261 -2.901 -10.967 1.00 0.00 C ATOM 1846 OE1 GLU A 121 8.268 -2.171 -10.830 1.00 0.00 O ATOM 1847 OE2 GLU A 121 6.948 -3.425 -12.062 1.00 0.00 O ATOM 0 H GLU A 121 4.509 -4.840 -8.614 1.00 0.00 H new ATOM 0 HA GLU A 121 7.013 -5.736 -9.704 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.390 -3.522 -7.716 1.00 0.00 H new ATOM 0 HB3 GLU A 121 7.899 -3.741 -8.580 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.360 -3.510 -10.187 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.005 -2.058 -9.449 1.00 0.00 H new ATOM 1854 N ILE A 122 6.269 -6.300 -6.538 1.00 0.00 N ATOM 1855 CA ILE A 122 6.673 -7.092 -5.370 1.00 0.00 C ATOM 1856 C ILE A 122 6.816 -8.547 -5.814 1.00 0.00 C ATOM 1857 O ILE A 122 7.806 -9.194 -5.481 1.00 0.00 O ATOM 1858 CB ILE A 122 5.701 -6.931 -4.174 1.00 0.00 C ATOM 1859 CG1 ILE A 122 5.090 -5.522 -4.070 1.00 0.00 C ATOM 1860 CG2 ILE A 122 6.390 -7.249 -2.845 1.00 0.00 C ATOM 1861 CD1 ILE A 122 6.090 -4.353 -4.101 1.00 0.00 C ATOM 0 H ILE A 122 5.343 -5.881 -6.456 1.00 0.00 H new ATOM 0 HA ILE A 122 7.630 -6.727 -4.998 1.00 0.00 H new ATOM 0 HB ILE A 122 4.899 -7.643 -4.368 1.00 0.00 H new ATOM 0 HG12 ILE A 122 4.383 -5.392 -4.889 1.00 0.00 H new ATOM 0 HG13 ILE A 122 4.519 -5.462 -3.144 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.679 -7.126 -2.028 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.752 -8.277 -2.859 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.231 -6.571 -2.700 1.00 0.00 H new ATOM 0 HD11 ILE A 122 5.550 -3.410 -4.021 1.00 0.00 H new ATOM 0 HD12 ILE A 122 6.784 -4.446 -3.266 1.00 0.00 H new ATOM 0 HD13 ILE A 122 6.646 -4.374 -5.038 1.00 0.00 H new ATOM 1873 N HIS A 123 5.867 -9.014 -6.632 1.00 0.00 N ATOM 1874 CA HIS A 123 5.980 -10.269 -7.369 1.00 0.00 C ATOM 1875 C HIS A 123 7.281 -10.325 -8.187 1.00 0.00 C ATOM 1876 O HIS A 123 8.051 -11.268 -8.008 1.00 0.00 O ATOM 1877 CB HIS A 123 4.745 -10.490 -8.251 1.00 0.00 C ATOM 1878 CG HIS A 123 3.561 -11.082 -7.532 1.00 0.00 C ATOM 1879 ND1 HIS A 123 3.075 -12.351 -7.746 1.00 0.00 N ATOM 1880 CD2 HIS A 123 2.767 -10.482 -6.588 1.00 0.00 C ATOM 1881 CE1 HIS A 123 1.998 -12.515 -6.968 1.00 0.00 C ATOM 1882 NE2 HIS A 123 1.760 -11.401 -6.253 1.00 0.00 N ATOM 0 H HIS A 123 4.989 -8.522 -6.800 1.00 0.00 H new ATOM 0 HA HIS A 123 6.024 -11.084 -6.646 1.00 0.00 H new ATOM 0 HB2 HIS A 123 4.450 -9.535 -8.686 1.00 0.00 H new ATOM 0 HB3 HIS A 123 5.017 -11.146 -9.078 1.00 0.00 H new ATOM 0 HD2 HIS A 123 2.893 -9.490 -6.180 1.00 0.00 H new ATOM 0 HE1 HIS A 123 1.404 -13.416 -6.921 1.00 0.00 H new ATOM 0 HE2 HIS A 123 0.995 -11.253 -5.594 1.00 0.00 H new ATOM 1890 N LYS A 124 7.572 -9.362 -9.080 1.00 0.00 N ATOM 1891 CA LYS A 124 8.828 -9.323 -9.845 1.00 0.00 C ATOM 1892 C LYS A 124 10.052 -9.486 -8.947 1.00 0.00 C ATOM 1893 O LYS A 124 10.872 -10.359 -9.211 1.00 0.00 O ATOM 1894 CB LYS A 124 8.938 -8.027 -10.655 1.00 0.00 C ATOM 1895 CG LYS A 124 7.968 -8.000 -11.837 1.00 0.00 C ATOM 1896 CD LYS A 124 7.803 -6.574 -12.382 1.00 0.00 C ATOM 1897 CE LYS A 124 7.309 -6.524 -13.826 1.00 0.00 C ATOM 1898 NZ LYS A 124 5.975 -7.132 -13.996 1.00 0.00 N ATOM 0 H LYS A 124 6.941 -8.589 -9.291 1.00 0.00 H new ATOM 0 HA LYS A 124 8.805 -10.168 -10.533 1.00 0.00 H new ATOM 0 HB2 LYS A 124 8.739 -7.176 -10.004 1.00 0.00 H new ATOM 0 HB3 LYS A 124 9.958 -7.915 -11.022 1.00 0.00 H new ATOM 0 HG2 LYS A 124 8.334 -8.655 -12.628 1.00 0.00 H new ATOM 0 HG3 LYS A 124 6.998 -8.388 -11.525 1.00 0.00 H new ATOM 0 HD2 LYS A 124 7.102 -6.031 -11.748 1.00 0.00 H new ATOM 0 HD3 LYS A 124 8.760 -6.056 -12.316 1.00 0.00 H new ATOM 0 HE2 LYS A 124 7.275 -5.486 -14.158 1.00 0.00 H new ATOM 0 HE3 LYS A 124 8.023 -7.041 -14.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 5.690 -7.070 -14.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 6.009 -8.130 -13.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 5.284 -6.624 -13.407 1.00 0.00 H new ATOM 1912 N LEU A 125 10.150 -8.687 -7.886 1.00 0.00 N ATOM 1913 CA LEU A 125 11.254 -8.705 -6.931 1.00 0.00 C ATOM 1914 C LEU A 125 11.264 -9.977 -6.073 1.00 0.00 C ATOM 1915 O LEU A 125 12.202 -10.175 -5.301 1.00 0.00 O ATOM 1916 CB LEU A 125 11.161 -7.462 -6.023 1.00 0.00 C ATOM 1917 CG LEU A 125 11.348 -6.127 -6.771 1.00 0.00 C ATOM 1918 CD1 LEU A 125 10.820 -4.955 -5.939 1.00 0.00 C ATOM 1919 CD2 LEU A 125 12.823 -5.880 -7.087 1.00 0.00 C ATOM 0 H LEU A 125 9.441 -7.989 -7.661 1.00 0.00 H new ATOM 0 HA LEU A 125 12.185 -8.693 -7.498 1.00 0.00 H new ATOM 0 HB2 LEU A 125 10.190 -7.457 -5.528 1.00 0.00 H new ATOM 0 HB3 LEU A 125 11.916 -7.538 -5.241 1.00 0.00 H new ATOM 0 HG LEU A 125 10.784 -6.196 -7.701 1.00 0.00 H new ATOM 0 HD11 LEU A 125 10.964 -4.025 -6.489 1.00 0.00 H new ATOM 0 HD12 LEU A 125 9.758 -5.099 -5.741 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.362 -4.906 -4.995 1.00 0.00 H new ATOM 0 HD21 LEU A 125 12.928 -4.932 -7.615 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.393 -5.844 -6.159 1.00 0.00 H new ATOM 0 HD23 LEU A 125 13.201 -6.688 -7.713 1.00 0.00 H new ATOM 1931 N ASN A 126 10.233 -10.826 -6.182 1.00 0.00 N ATOM 1932 CA ASN A 126 9.959 -11.994 -5.346 1.00 0.00 C ATOM 1933 C ASN A 126 9.908 -11.630 -3.854 1.00 0.00 C ATOM 1934 O ASN A 126 10.139 -12.455 -2.975 1.00 0.00 O ATOM 1935 CB ASN A 126 10.928 -13.126 -5.708 1.00 0.00 C ATOM 1936 CG ASN A 126 10.652 -14.411 -4.941 1.00 0.00 C ATOM 1937 OD1 ASN A 126 9.513 -14.841 -4.763 1.00 0.00 O ATOM 1938 ND2 ASN A 126 11.698 -15.069 -4.485 1.00 0.00 N ATOM 0 H ASN A 126 9.524 -10.704 -6.905 1.00 0.00 H new ATOM 0 HA ASN A 126 8.958 -12.373 -5.554 1.00 0.00 H new ATOM 0 HB2 ASN A 126 10.862 -13.326 -6.777 1.00 0.00 H new ATOM 0 HB3 ASN A 126 11.949 -12.801 -5.507 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.568 -15.945 -3.978 1.00 0.00 H new ATOM 0 HD22 ASN A 126 12.638 -14.703 -4.639 1.00 0.00 H new ATOM 1945 N TRP A 127 9.577 -10.378 -3.539 1.00 0.00 N ATOM 1946 CA TRP A 127 9.505 -9.847 -2.184 1.00 0.00 C ATOM 1947 C TRP A 127 8.197 -10.231 -1.468 1.00 0.00 C ATOM 1948 O TRP A 127 7.710 -9.477 -0.623 1.00 0.00 O ATOM 1949 CB TRP A 127 9.769 -8.339 -2.222 1.00 0.00 C ATOM 1950 CG TRP A 127 11.186 -7.898 -2.426 1.00 0.00 C ATOM 1951 CD1 TRP A 127 12.285 -8.671 -2.598 1.00 0.00 C ATOM 1952 CD2 TRP A 127 11.663 -6.527 -2.448 1.00 0.00 C ATOM 1953 NE1 TRP A 127 13.400 -7.869 -2.741 1.00 0.00 N ATOM 1954 CE2 TRP A 127 13.071 -6.533 -2.667 1.00 0.00 C ATOM 1955 CE3 TRP A 127 11.036 -5.280 -2.263 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 13.810 -5.347 -2.749 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 11.774 -4.089 -2.344 1.00 0.00 C ATOM 1958 CH2 TRP A 127 13.147 -4.119 -2.624 1.00 0.00 C ATOM 0 H TRP A 127 9.344 -9.683 -4.248 1.00 0.00 H new ATOM 0 HA TRP A 127 10.284 -10.307 -1.576 1.00 0.00 H new ATOM 0 HB2 TRP A 127 9.163 -7.910 -3.020 1.00 0.00 H new ATOM 0 HB3 TRP A 127 9.413 -7.910 -1.285 1.00 0.00 H new ATOM 0 HD1 TRP A 127 12.289 -9.751 -2.620 1.00 0.00 H new ATOM 0 HE1 TRP A 127 14.347 -8.221 -2.883 1.00 0.00 H new ATOM 0 HE3 TRP A 127 9.977 -5.240 -2.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.878 -5.378 -2.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 11.280 -3.141 -2.189 1.00 0.00 H new ATOM 0 HH2 TRP A 127 13.694 -3.195 -2.743 1.00 0.00 H new ATOM 1969 N ALA A 128 7.636 -11.403 -1.779 1.00 0.00 N ATOM 1970 CA ALA A 128 6.454 -11.951 -1.138 1.00 0.00 C ATOM 1971 C ALA A 128 6.871 -13.215 -0.412 1.00 0.00 C ATOM 1972 O ALA A 128 6.955 -14.290 -1.034 1.00 0.00 O ATOM 1973 CB ALA A 128 5.362 -12.198 -2.186 1.00 0.00 C ATOM 0 H ALA A 128 8.010 -12.010 -2.508 1.00 0.00 H new ATOM 0 HA ALA A 128 6.030 -11.257 -0.412 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.477 -12.609 -1.700 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.105 -11.257 -2.672 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.727 -12.904 -2.932 1.00 0.00 H new