USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 871 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 38 HIS : +bothHN:sc= -0.119 K(o=-5.5,f=-12!) USER MOD Set 1.2: A 49 HIS : no HD1:sc= 0.224 K(o=-5.5,f=-10!) USER MOD Set 1.3: A 113 CYS SG : rot -138:sc= -0.882! USER MOD Set 1.4: A 118 HIS : no HD1:sc= -0.859 K(o=-5.5,f=-7.4) USER MOD Set 1.5: A 122 MET CE :methyl -167:sc= -3.82 (180deg=-5.24!) USER MOD Set 2.1: A 33 THR OG1 : rot -72:sc= 0.336 USER MOD Set 2.2: A 98 THR OG1 : rot 180:sc= 0.314 USER MOD Set 3.1: A 50 ASN : amide:sc= -0.0179 K(o=-0.81,f=-13!) USER MOD Set 3.2: A 85 HIS : no HE2:sc= -2.64 K(o=-0.81,f=-8.7!) USER MOD Set 3.3: A 114 THR OG1 : rot 137:sc= 1.85 USER MOD Set 4.1: A 41 THR OG1 : rot 34:sc= 1.06 USER MOD Set 4.2: A 42 GLN : amide:sc= -0.159 K(o=0.9,f=-1.3) USER MOD Set 5.1: A 35 THR OG1 : rot 180:sc= 0.599 USER MOD Set 5.2: A 96 SER OG : rot -100:sc= 0.65 USER MOD Set 6.1: A 21 LYS NZ :NH3+ 153:sc= 1.24 (180deg=1.18) USER MOD Set 6.2: A 123 ASN : amide:sc= -0.373 K(o=0.87,f=-1.1!) USER MOD Set 7.1: A 16 MET CE :methyl -167:sc= 0 (180deg=0) USER MOD Set 7.2: A 47 MET CE :methyl 150:sc= -0.0747 (180deg=-0.478) USER MOD Set 8.1: A 13 ASN : amide:sc= 0.168 K(o=-0.1,f=-13!) USER MOD Set 8.2: A 17 GLN : amide:sc= -0.269 K(o=-0.1,f=-9.1!) USER MOD Set 9.1: A 6 CYS SG : rot -26:sc= -2.8! USER MOD Set 9.2: A 26 SER OG : rot 23:sc= 0.437 USER MOD Set 9.3: A 29 CYS SG : rot -102:sc= -3.88! USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0.82 K(o=0.82,f=-7.2!) USER MOD Single : A 20 THR OG1 : rot -119:sc= 1.12 USER MOD Single : A 24 GLN :FLIP amide:sc=-0.000191 F(o=-1.1,f=-0.00019) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.18) USER MOD Single : A 37 LYS NZ :NH3+ 160:sc= -0.0399 (180deg=-0.396) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0147 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= 1.27 (180deg=1.2) USER MOD Single : A 59 MET CE :methyl -162:sc= 0 (180deg=-0.523) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -61:sc= 0.783 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -150:sc= 0.561 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -159:sc= -2.47! USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 TYR OH : rot 37:sc= 1.18 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 175:sc= 1 (180deg=0.924) USER MOD Single : A 127 THR OG1 : rot 109:sc= 0.0837 USER MOD ----------------------------------------------------------------- ATOM 58 N CYS A 6 12.776 8.956 4.449 1.00 0.62 N ATOM 59 CA CYS A 6 12.455 7.932 5.434 1.00 0.41 C ATOM 60 C CYS A 6 10.945 7.824 5.613 1.00 0.34 C ATOM 61 O CYS A 6 10.444 6.900 6.254 1.00 0.34 O ATOM 62 CB CYS A 6 13.122 8.250 6.771 1.00 0.49 C ATOM 63 SG CYS A 6 14.936 8.409 6.671 1.00 0.59 S ATOM 0 HA CYS A 6 12.835 6.976 5.074 1.00 0.41 H new ATOM 0 HB2 CYS A 6 12.706 9.179 7.162 1.00 0.49 H new ATOM 0 HB3 CYS A 6 12.875 7.465 7.485 1.00 0.49 H new ATOM 0 HG CYS A 6 15.378 7.708 5.669 1.00 0.59 H new ATOM 68 N ALA A 7 10.228 8.764 5.015 1.00 0.32 N ATOM 69 CA ALA A 7 8.781 8.809 5.115 1.00 0.27 C ATOM 70 C ALA A 7 8.177 9.398 3.848 1.00 0.25 C ATOM 71 O ALA A 7 8.807 10.214 3.170 1.00 0.31 O ATOM 72 CB ALA A 7 8.356 9.621 6.331 1.00 0.31 C ATOM 0 H ALA A 7 10.632 9.512 4.451 1.00 0.32 H new ATOM 0 HA ALA A 7 8.413 7.790 5.233 1.00 0.27 H new ATOM 0 HB1 ALA A 7 7.268 9.644 6.391 1.00 0.31 H new ATOM 0 HB2 ALA A 7 8.759 9.162 7.234 1.00 0.31 H new ATOM 0 HB3 ALA A 7 8.736 10.638 6.240 1.00 0.31 H new ATOM 78 N ALA A 8 6.965 8.973 3.528 1.00 0.22 N ATOM 79 CA ALA A 8 6.258 9.475 2.361 1.00 0.22 C ATOM 80 C ALA A 8 4.762 9.536 2.631 1.00 0.19 C ATOM 81 O ALA A 8 4.244 8.801 3.472 1.00 0.20 O ATOM 82 CB ALA A 8 6.541 8.598 1.151 1.00 0.27 C ATOM 0 H ALA A 8 6.448 8.277 4.065 1.00 0.22 H new ATOM 0 HA ALA A 8 6.614 10.483 2.150 1.00 0.22 H new ATOM 0 HB1 ALA A 8 6.004 8.987 0.286 1.00 0.27 H new ATOM 0 HB2 ALA A 8 7.611 8.598 0.944 1.00 0.27 H new ATOM 0 HB3 ALA A 8 6.211 7.579 1.355 1.00 0.27 H new ATOM 88 N THR A 9 4.070 10.410 1.921 1.00 0.23 N ATOM 89 CA THR A 9 2.639 10.565 2.091 1.00 0.23 C ATOM 90 C THR A 9 1.916 10.357 0.768 1.00 0.23 C ATOM 91 O THR A 9 2.259 10.969 -0.246 1.00 0.29 O ATOM 92 CB THR A 9 2.291 11.958 2.646 1.00 0.29 C ATOM 93 OG1 THR A 9 3.113 12.248 3.784 1.00 0.84 O ATOM 94 CG2 THR A 9 0.826 12.038 3.044 1.00 0.70 C ATOM 0 H THR A 9 4.480 11.025 1.218 1.00 0.23 H new ATOM 0 HA THR A 9 2.312 9.810 2.806 1.00 0.23 H new ATOM 0 HB THR A 9 2.476 12.692 1.861 1.00 0.29 H new ATOM 0 HG1 THR A 9 2.888 13.136 4.132 1.00 0.84 H new ATOM 0 HG21 THR A 9 0.608 13.033 3.433 1.00 0.70 H new ATOM 0 HG22 THR A 9 0.201 11.844 2.172 1.00 0.70 H new ATOM 0 HG23 THR A 9 0.617 11.294 3.813 1.00 0.70 H new ATOM 102 N VAL A 10 0.924 9.484 0.784 1.00 0.21 N ATOM 103 CA VAL A 10 0.126 9.205 -0.395 1.00 0.22 C ATOM 104 C VAL A 10 -1.320 9.605 -0.150 1.00 0.22 C ATOM 105 O VAL A 10 -1.905 9.254 0.876 1.00 0.26 O ATOM 106 CB VAL A 10 0.184 7.712 -0.781 1.00 0.29 C ATOM 107 CG1 VAL A 10 -0.677 7.433 -2.006 1.00 0.62 C ATOM 108 CG2 VAL A 10 1.618 7.274 -1.030 1.00 0.87 C ATOM 0 H VAL A 10 0.651 8.952 1.610 1.00 0.21 H new ATOM 0 HA VAL A 10 0.540 9.787 -1.218 1.00 0.22 H new ATOM 0 HB VAL A 10 -0.212 7.135 0.054 1.00 0.29 H new ATOM 0 HG11 VAL A 10 -0.619 6.374 -2.258 1.00 0.62 H new ATOM 0 HG12 VAL A 10 -1.712 7.699 -1.791 1.00 0.62 H new ATOM 0 HG13 VAL A 10 -0.317 8.026 -2.847 1.00 0.62 H new ATOM 0 HG21 VAL A 10 1.634 6.218 -1.301 1.00 0.87 H new ATOM 0 HG22 VAL A 10 2.043 7.863 -1.843 1.00 0.87 H new ATOM 0 HG23 VAL A 10 2.207 7.426 -0.126 1.00 0.87 H new ATOM 118 N GLU A 11 -1.888 10.345 -1.083 1.00 0.23 N ATOM 119 CA GLU A 11 -3.272 10.768 -0.972 1.00 0.25 C ATOM 120 C GLU A 11 -4.158 9.911 -1.860 1.00 0.23 C ATOM 121 O GLU A 11 -3.868 9.720 -3.043 1.00 0.29 O ATOM 122 CB GLU A 11 -3.430 12.243 -1.355 1.00 0.29 C ATOM 123 CG GLU A 11 -2.708 13.205 -0.425 1.00 1.09 C ATOM 124 CD GLU A 11 -2.784 14.638 -0.905 1.00 1.31 C ATOM 125 OE1 GLU A 11 -3.881 15.234 -0.844 1.00 1.14 O1- ATOM 126 OE2 GLU A 11 -1.748 15.174 -1.347 1.00 1.98 O ATOM 0 H GLU A 11 -1.413 10.666 -1.927 1.00 0.23 H new ATOM 0 HA GLU A 11 -3.577 10.646 0.067 1.00 0.25 H new ATOM 0 HB2 GLU A 11 -3.057 12.386 -2.369 1.00 0.29 H new ATOM 0 HB3 GLU A 11 -4.491 12.493 -1.367 1.00 0.29 H new ATOM 0 HG2 GLU A 11 -3.141 13.135 0.573 1.00 1.09 H new ATOM 0 HG3 GLU A 11 -1.663 12.908 -0.340 1.00 1.09 H new ATOM 133 N SER A 12 -5.218 9.382 -1.279 1.00 0.22 N ATOM 134 CA SER A 12 -6.194 8.620 -2.029 1.00 0.21 C ATOM 135 C SER A 12 -7.547 9.317 -1.946 1.00 0.20 C ATOM 136 O SER A 12 -7.974 9.746 -0.871 1.00 0.23 O ATOM 137 CB SER A 12 -6.272 7.188 -1.485 1.00 0.29 C ATOM 138 OG SER A 12 -6.475 7.183 -0.079 1.00 0.97 O ATOM 0 H SER A 12 -5.424 9.468 -0.284 1.00 0.22 H new ATOM 0 HA SER A 12 -5.896 8.564 -3.076 1.00 0.21 H new ATOM 0 HB2 SER A 12 -7.086 6.654 -1.975 1.00 0.29 H new ATOM 0 HB3 SER A 12 -5.352 6.655 -1.724 1.00 0.29 H new ATOM 0 HG SER A 12 -6.523 6.258 0.241 1.00 0.97 H new ATOM 144 N ASN A 13 -8.230 9.426 -3.069 1.00 0.19 N ATOM 145 CA ASN A 13 -9.457 10.202 -3.123 1.00 0.24 C ATOM 146 C ASN A 13 -10.623 9.345 -3.595 1.00 0.24 C ATOM 147 O ASN A 13 -10.533 8.118 -3.616 1.00 0.19 O ATOM 148 CB ASN A 13 -9.272 11.432 -4.028 1.00 0.32 C ATOM 149 CG ASN A 13 -8.874 11.079 -5.454 1.00 0.34 C ATOM 150 OD1 ASN A 13 -9.254 10.036 -5.981 1.00 0.89 O ATOM 151 ND2 ASN A 13 -8.106 11.951 -6.085 1.00 1.14 N ATOM 0 H ASN A 13 -7.960 8.991 -3.951 1.00 0.19 H new ATOM 0 HA ASN A 13 -9.689 10.550 -2.116 1.00 0.24 H new ATOM 0 HB2 ASN A 13 -10.201 12.002 -4.048 1.00 0.32 H new ATOM 0 HB3 ASN A 13 -8.510 12.080 -3.596 1.00 0.32 H new ATOM 0 HD21 ASN A 13 -7.808 11.769 -7.043 1.00 1.14 H new ATOM 0 HD22 ASN A 13 -7.811 12.806 -5.613 1.00 1.14 H new ATOM 158 N ASP A 14 -11.716 9.993 -3.968 1.00 0.43 N ATOM 159 CA ASP A 14 -12.931 9.292 -4.357 1.00 0.51 C ATOM 160 C ASP A 14 -12.960 8.998 -5.855 1.00 0.43 C ATOM 161 O ASP A 14 -13.942 8.466 -6.367 1.00 0.48 O ATOM 162 CB ASP A 14 -14.158 10.116 -3.967 1.00 0.81 C ATOM 163 CG ASP A 14 -14.246 11.429 -4.719 1.00 1.53 C ATOM 164 OD1 ASP A 14 -13.393 12.312 -4.488 1.00 2.26 O1- ATOM 165 OD2 ASP A 14 -15.171 11.586 -5.542 1.00 1.86 O ATOM 0 H ASP A 14 -11.787 11.010 -4.010 1.00 0.43 H new ATOM 0 HA ASP A 14 -12.946 8.339 -3.829 1.00 0.51 H new ATOM 0 HB2 ASP A 14 -15.058 9.532 -4.158 1.00 0.81 H new ATOM 0 HB3 ASP A 14 -14.130 10.317 -2.896 1.00 0.81 H new ATOM 170 N ASN A 15 -11.880 9.326 -6.552 1.00 0.45 N ATOM 171 CA ASN A 15 -11.799 9.080 -7.990 1.00 0.48 C ATOM 172 C ASN A 15 -11.095 7.761 -8.263 1.00 0.41 C ATOM 173 O ASN A 15 -10.757 7.447 -9.407 1.00 0.47 O ATOM 174 CB ASN A 15 -11.060 10.211 -8.713 1.00 0.60 C ATOM 175 CG ASN A 15 -11.800 11.531 -8.670 1.00 0.93 C ATOM 176 OD1 ASN A 15 -11.590 12.342 -7.769 1.00 1.59 O ATOM 177 ND2 ASN A 15 -12.668 11.762 -9.641 1.00 1.58 N ATOM 0 H ASN A 15 -11.050 9.761 -6.149 1.00 0.45 H new ATOM 0 HA ASN A 15 -12.819 9.036 -8.371 1.00 0.48 H new ATOM 0 HB2 ASN A 15 -10.076 10.339 -8.263 1.00 0.60 H new ATOM 0 HB3 ASN A 15 -10.900 9.925 -9.753 1.00 0.60 H new ATOM 0 HD21 ASN A 15 -13.191 12.638 -9.660 1.00 1.58 H new ATOM 0 HD22 ASN A 15 -12.814 11.065 -10.371 1.00 1.58 H new ATOM 184 N MET A 16 -10.871 7.000 -7.191 1.00 0.36 N ATOM 185 CA MET A 16 -10.219 5.698 -7.273 1.00 0.39 C ATOM 186 C MET A 16 -8.793 5.829 -7.798 1.00 0.38 C ATOM 187 O MET A 16 -8.415 5.180 -8.773 1.00 0.54 O ATOM 188 CB MET A 16 -11.026 4.741 -8.160 1.00 0.50 C ATOM 189 CG MET A 16 -12.340 4.293 -7.548 1.00 0.58 C ATOM 190 SD MET A 16 -13.228 3.137 -8.608 1.00 1.03 S ATOM 191 CE MET A 16 -14.627 2.735 -7.568 1.00 1.92 C ATOM 0 H MET A 16 -11.137 7.271 -6.244 1.00 0.36 H new ATOM 0 HA MET A 16 -10.175 5.285 -6.265 1.00 0.39 H new ATOM 0 HB2 MET A 16 -11.229 5.229 -9.113 1.00 0.50 H new ATOM 0 HB3 MET A 16 -10.419 3.862 -8.375 1.00 0.50 H new ATOM 0 HG2 MET A 16 -12.148 3.824 -6.583 1.00 0.58 H new ATOM 0 HG3 MET A 16 -12.967 5.165 -7.359 1.00 0.58 H new ATOM 0 HE1 MET A 16 -15.145 1.867 -7.975 1.00 1.92 H new ATOM 0 HE2 MET A 16 -14.278 2.510 -6.560 1.00 1.92 H new ATOM 0 HE3 MET A 16 -15.311 3.583 -7.534 1.00 1.92 H new ATOM 201 N GLN A 17 -8.003 6.663 -7.142 1.00 0.28 N ATOM 202 CA GLN A 17 -6.641 6.918 -7.582 1.00 0.33 C ATOM 203 C GLN A 17 -5.760 7.354 -6.420 1.00 0.28 C ATOM 204 O GLN A 17 -6.248 7.879 -5.414 1.00 0.40 O ATOM 205 CB GLN A 17 -6.638 8.013 -8.653 1.00 0.44 C ATOM 206 CG GLN A 17 -7.206 9.330 -8.156 1.00 0.77 C ATOM 207 CD GLN A 17 -7.162 10.436 -9.188 1.00 1.21 C ATOM 208 OE1 GLN A 17 -7.040 11.610 -8.844 1.00 1.78 O ATOM 209 NE2 GLN A 17 -7.273 10.077 -10.456 1.00 1.86 N ATOM 0 H GLN A 17 -8.281 7.174 -6.304 1.00 0.28 H new ATOM 0 HA GLN A 17 -6.241 5.991 -7.994 1.00 0.33 H new ATOM 0 HB2 GLN A 17 -5.617 8.172 -9.000 1.00 0.44 H new ATOM 0 HB3 GLN A 17 -7.217 7.675 -9.512 1.00 0.44 H new ATOM 0 HG2 GLN A 17 -8.239 9.176 -7.844 1.00 0.77 H new ATOM 0 HG3 GLN A 17 -6.650 9.646 -7.273 1.00 0.77 H new ATOM 0 HE21 GLN A 17 -7.373 9.092 -10.700 1.00 1.86 H new ATOM 0 HE22 GLN A 17 -7.259 10.785 -11.190 1.00 1.86 H new ATOM 218 N PHE A 18 -4.469 7.107 -6.565 1.00 0.30 N ATOM 219 CA PHE A 18 -3.466 7.675 -5.682 1.00 0.27 C ATOM 220 C PHE A 18 -2.860 8.888 -6.373 1.00 0.33 C ATOM 221 O PHE A 18 -2.879 8.978 -7.600 1.00 0.44 O ATOM 222 CB PHE A 18 -2.354 6.662 -5.384 1.00 0.29 C ATOM 223 CG PHE A 18 -2.817 5.391 -4.727 1.00 0.25 C ATOM 224 CD1 PHE A 18 -3.375 5.416 -3.457 1.00 0.24 C ATOM 225 CD2 PHE A 18 -2.726 4.176 -5.391 1.00 0.27 C ATOM 226 CE1 PHE A 18 -3.827 4.256 -2.861 1.00 0.25 C ATOM 227 CE2 PHE A 18 -3.181 3.014 -4.801 1.00 0.26 C ATOM 228 CZ PHE A 18 -3.610 3.030 -3.493 1.00 0.28 C ATOM 0 H PHE A 18 -4.088 6.508 -7.297 1.00 0.30 H new ATOM 0 HA PHE A 18 -3.936 7.952 -4.738 1.00 0.27 H new ATOM 0 HB2 PHE A 18 -1.852 6.409 -6.318 1.00 0.29 H new ATOM 0 HB3 PHE A 18 -1.612 7.137 -4.742 1.00 0.29 H new ATOM 0 HD1 PHE A 18 -3.457 6.354 -2.928 1.00 0.24 H new ATOM 0 HD2 PHE A 18 -2.294 4.139 -6.380 1.00 0.27 H new ATOM 0 HE1 PHE A 18 -4.344 4.296 -1.914 1.00 0.25 H new ATOM 0 HE2 PHE A 18 -3.200 2.093 -5.365 1.00 0.26 H new ATOM 0 HZ PHE A 18 -3.777 2.105 -2.962 1.00 0.28 H new ATOM 238 N ASN A 19 -2.321 9.819 -5.599 1.00 0.35 N ATOM 239 CA ASN A 19 -1.699 11.010 -6.173 1.00 0.49 C ATOM 240 C ASN A 19 -0.298 10.698 -6.691 1.00 0.36 C ATOM 241 O ASN A 19 0.403 11.582 -7.189 1.00 0.45 O ATOM 242 CB ASN A 19 -1.639 12.157 -5.156 1.00 0.71 C ATOM 243 CG ASN A 19 -0.705 11.879 -3.987 1.00 1.33 C ATOM 244 OD1 ASN A 19 -0.538 10.736 -3.559 1.00 2.31 O ATOM 245 ND2 ASN A 19 -0.094 12.928 -3.456 1.00 1.42 N ATOM 0 H ASN A 19 -2.300 9.777 -4.580 1.00 0.35 H new ATOM 0 HA ASN A 19 -2.320 11.328 -7.010 1.00 0.49 H new ATOM 0 HB2 ASN A 19 -1.314 13.066 -5.663 1.00 0.71 H new ATOM 0 HB3 ASN A 19 -2.642 12.346 -4.773 1.00 0.71 H new ATOM 0 HD21 ASN A 19 0.539 12.804 -2.666 1.00 1.42 H new ATOM 0 HD22 ASN A 19 -0.257 13.860 -3.837 1.00 1.42 H new ATOM 252 N THR A 20 0.108 9.443 -6.563 1.00 0.36 N ATOM 253 CA THR A 20 1.383 8.992 -7.082 1.00 0.33 C ATOM 254 C THR A 20 1.344 7.485 -7.330 1.00 0.24 C ATOM 255 O THR A 20 0.811 6.725 -6.522 1.00 0.32 O ATOM 256 CB THR A 20 2.547 9.345 -6.122 1.00 0.53 C ATOM 257 OG1 THR A 20 3.798 8.910 -6.672 1.00 1.12 O ATOM 258 CG2 THR A 20 2.345 8.714 -4.750 1.00 0.44 C ATOM 0 H THR A 20 -0.436 8.716 -6.099 1.00 0.36 H new ATOM 0 HA THR A 20 1.562 9.509 -8.025 1.00 0.33 H new ATOM 0 HB THR A 20 2.560 10.429 -6.004 1.00 0.53 H new ATOM 0 HG1 THR A 20 4.208 8.253 -6.072 1.00 1.12 H new ATOM 0 HG21 THR A 20 3.179 8.981 -4.100 1.00 0.44 H new ATOM 0 HG22 THR A 20 1.415 9.079 -4.315 1.00 0.44 H new ATOM 0 HG23 THR A 20 2.297 7.630 -4.852 1.00 0.44 H new ATOM 266 N LYS A 21 1.876 7.065 -8.467 1.00 0.23 N ATOM 267 CA LYS A 21 1.969 5.649 -8.793 1.00 0.31 C ATOM 268 C LYS A 21 3.405 5.166 -8.632 1.00 0.23 C ATOM 269 O LYS A 21 3.789 4.121 -9.162 1.00 0.28 O ATOM 270 CB LYS A 21 1.475 5.386 -10.221 1.00 0.50 C ATOM 271 CG LYS A 21 -0.037 5.512 -10.381 1.00 0.91 C ATOM 272 CD LYS A 21 -0.465 5.360 -11.835 1.00 0.85 C ATOM 273 CE LYS A 21 -0.153 3.974 -12.389 1.00 1.30 C ATOM 274 NZ LYS A 21 -1.010 2.916 -11.787 1.00 2.18 N1+ ATOM 0 H LYS A 21 2.252 7.687 -9.183 1.00 0.23 H new ATOM 0 HA LYS A 21 1.332 5.095 -8.104 1.00 0.31 H new ATOM 0 HB2 LYS A 21 1.963 6.086 -10.899 1.00 0.50 H new ATOM 0 HB3 LYS A 21 1.781 4.384 -10.523 1.00 0.50 H new ATOM 0 HG2 LYS A 21 -0.531 4.753 -9.775 1.00 0.91 H new ATOM 0 HG3 LYS A 21 -0.363 6.482 -10.005 1.00 0.91 H new ATOM 0 HD2 LYS A 21 -1.535 5.549 -11.918 1.00 0.85 H new ATOM 0 HD3 LYS A 21 0.040 6.113 -12.440 1.00 0.85 H new ATOM 0 HE2 LYS A 21 -0.291 3.978 -13.470 1.00 1.30 H new ATOM 0 HE3 LYS A 21 0.895 3.739 -12.203 1.00 1.30 H new ATOM 0 HZ1 LYS A 21 -1.110 2.127 -12.457 1.00 2.18 H new ATOM 0 HZ2 LYS A 21 -0.571 2.571 -10.910 1.00 2.18 H new ATOM 0 HZ3 LYS A 21 -1.948 3.310 -11.573 1.00 2.18 H new ATOM 288 N ASP A 22 4.196 5.947 -7.910 1.00 0.20 N ATOM 289 CA ASP A 22 5.582 5.589 -7.624 1.00 0.22 C ATOM 290 C ASP A 22 5.969 6.032 -6.220 1.00 0.20 C ATOM 291 O ASP A 22 5.656 7.150 -5.804 1.00 0.24 O ATOM 292 CB ASP A 22 6.530 6.221 -8.649 1.00 0.34 C ATOM 293 CG ASP A 22 7.991 5.934 -8.344 1.00 1.26 C ATOM 294 OD1 ASP A 22 8.428 4.782 -8.529 1.00 1.86 O1- ATOM 295 OD2 ASP A 22 8.713 6.866 -7.931 1.00 2.06 O ATOM 0 H ASP A 22 3.902 6.837 -7.509 1.00 0.20 H new ATOM 0 HA ASP A 22 5.670 4.505 -7.690 1.00 0.22 H new ATOM 0 HB2 ASP A 22 6.289 5.844 -9.643 1.00 0.34 H new ATOM 0 HB3 ASP A 22 6.371 7.299 -8.670 1.00 0.34 H new ATOM 300 N ILE A 23 6.623 5.146 -5.488 1.00 0.19 N ATOM 301 CA ILE A 23 7.123 5.463 -4.160 1.00 0.21 C ATOM 302 C ILE A 23 8.596 5.108 -4.068 1.00 0.27 C ATOM 303 O ILE A 23 9.013 4.035 -4.498 1.00 0.32 O ATOM 304 CB ILE A 23 6.337 4.716 -3.055 1.00 0.21 C ATOM 305 CG1 ILE A 23 4.899 5.240 -2.983 1.00 0.22 C ATOM 306 CG2 ILE A 23 7.027 4.864 -1.701 1.00 0.26 C ATOM 307 CD1 ILE A 23 4.025 4.488 -2.002 1.00 0.23 C ATOM 0 H ILE A 23 6.822 4.193 -5.794 1.00 0.19 H new ATOM 0 HA ILE A 23 6.987 6.533 -4.001 1.00 0.21 H new ATOM 0 HB ILE A 23 6.313 3.656 -3.308 1.00 0.21 H new ATOM 0 HG12 ILE A 23 4.919 6.294 -2.704 1.00 0.22 H new ATOM 0 HG13 ILE A 23 4.450 5.181 -3.975 1.00 0.22 H new ATOM 0 HG21 ILE A 23 6.456 4.331 -0.941 1.00 0.26 H new ATOM 0 HG22 ILE A 23 8.033 4.448 -1.758 1.00 0.26 H new ATOM 0 HG23 ILE A 23 7.086 5.920 -1.436 1.00 0.26 H new ATOM 0 HD11 ILE A 23 3.022 4.915 -2.006 1.00 0.23 H new ATOM 0 HD12 ILE A 23 3.973 3.438 -2.291 1.00 0.23 H new ATOM 0 HD13 ILE A 23 4.449 4.568 -1.001 1.00 0.23 H new ATOM 319 N GLN A 24 9.380 6.018 -3.522 1.00 0.34 N ATOM 320 CA GLN A 24 10.811 5.815 -3.392 1.00 0.41 C ATOM 321 C GLN A 24 11.171 5.472 -1.955 1.00 0.35 C ATOM 322 O GLN A 24 10.949 6.269 -1.044 1.00 0.39 O ATOM 323 CB GLN A 24 11.563 7.067 -3.828 1.00 0.57 C ATOM 324 CG GLN A 24 11.250 7.504 -5.247 1.00 0.67 C ATOM 325 CD GLN A 24 11.990 8.766 -5.642 1.00 0.86 C ATOM 326 OE1 GLN A 24 13.165 8.968 -5.067 1.00 1.32 O flip ATOM 327 NE2 GLN A 24 11.508 9.559 -6.452 1.00 1.46 N flip ATOM 0 H GLN A 24 9.047 6.911 -3.159 1.00 0.34 H new ATOM 0 HA GLN A 24 11.100 4.984 -4.035 1.00 0.41 H new ATOM 0 HB2 GLN A 24 11.321 7.881 -3.145 1.00 0.57 H new ATOM 0 HB3 GLN A 24 12.634 6.885 -3.741 1.00 0.57 H new ATOM 0 HG2 GLN A 24 11.512 6.702 -5.937 1.00 0.67 H new ATOM 0 HG3 GLN A 24 10.177 7.670 -5.344 1.00 0.67 H new ATOM 0 HE21 GLN A 24 10.599 9.368 -6.874 1.00 1.46 H new ATOM 0 HE22 GLN A 24 12.018 10.407 -6.701 1.00 1.46 H new ATOM 336 N VAL A 25 11.712 4.282 -1.760 1.00 0.31 N ATOM 337 CA VAL A 25 12.132 3.839 -0.440 1.00 0.25 C ATOM 338 C VAL A 25 13.652 3.839 -0.344 1.00 0.26 C ATOM 339 O VAL A 25 14.329 3.164 -1.116 1.00 0.30 O ATOM 340 CB VAL A 25 11.600 2.427 -0.117 1.00 0.23 C ATOM 341 CG1 VAL A 25 12.071 1.973 1.254 1.00 0.22 C ATOM 342 CG2 VAL A 25 10.082 2.399 -0.194 1.00 0.23 C ATOM 0 H VAL A 25 11.872 3.601 -2.503 1.00 0.31 H new ATOM 0 HA VAL A 25 11.715 4.537 0.286 1.00 0.25 H new ATOM 0 HB VAL A 25 11.998 1.736 -0.860 1.00 0.23 H new ATOM 0 HG11 VAL A 25 11.684 0.975 1.460 1.00 0.22 H new ATOM 0 HG12 VAL A 25 13.161 1.951 1.275 1.00 0.22 H new ATOM 0 HG13 VAL A 25 11.707 2.667 2.012 1.00 0.22 H new ATOM 0 HG21 VAL A 25 9.724 1.395 0.037 1.00 0.23 H new ATOM 0 HG22 VAL A 25 9.668 3.106 0.525 1.00 0.23 H new ATOM 0 HG23 VAL A 25 9.764 2.676 -1.199 1.00 0.23 H new ATOM 352 N SER A 26 14.179 4.603 0.597 1.00 0.27 N ATOM 353 CA SER A 26 15.618 4.723 0.773 1.00 0.29 C ATOM 354 C SER A 26 16.186 3.497 1.486 1.00 0.26 C ATOM 355 O SER A 26 15.784 3.169 2.604 1.00 0.25 O ATOM 356 CB SER A 26 15.939 5.997 1.562 1.00 0.36 C ATOM 357 OG SER A 26 17.334 6.173 1.729 1.00 1.16 O ATOM 0 H SER A 26 13.628 5.154 1.256 1.00 0.27 H new ATOM 0 HA SER A 26 16.084 4.784 -0.210 1.00 0.29 H new ATOM 0 HB2 SER A 26 15.523 6.861 1.043 1.00 0.36 H new ATOM 0 HB3 SER A 26 15.459 5.950 2.539 1.00 0.36 H new ATOM 0 HG SER A 26 17.812 5.677 1.032 1.00 1.16 H new ATOM 363 N LYS A 27 17.121 2.823 0.822 1.00 0.32 N ATOM 364 CA LYS A 27 17.783 1.651 1.385 1.00 0.36 C ATOM 365 C LYS A 27 18.790 2.063 2.454 1.00 0.42 C ATOM 366 O LYS A 27 19.204 1.246 3.281 1.00 0.54 O ATOM 367 CB LYS A 27 18.482 0.846 0.282 1.00 0.45 C ATOM 368 CG LYS A 27 19.627 1.588 -0.394 1.00 0.82 C ATOM 369 CD LYS A 27 20.204 0.801 -1.561 1.00 0.86 C ATOM 370 CE LYS A 27 20.831 -0.506 -1.106 1.00 0.98 C ATOM 371 NZ LYS A 27 21.430 -1.259 -2.238 1.00 0.97 N1+ ATOM 0 H LYS A 27 17.439 3.072 -0.115 1.00 0.32 H new ATOM 0 HA LYS A 27 17.023 1.022 1.849 1.00 0.36 H new ATOM 0 HB2 LYS A 27 18.865 -0.081 0.710 1.00 0.45 H new ATOM 0 HB3 LYS A 27 17.746 0.568 -0.473 1.00 0.45 H new ATOM 0 HG2 LYS A 27 19.273 2.556 -0.749 1.00 0.82 H new ATOM 0 HG3 LYS A 27 20.413 1.784 0.335 1.00 0.82 H new ATOM 0 HD2 LYS A 27 19.416 0.593 -2.284 1.00 0.86 H new ATOM 0 HD3 LYS A 27 20.954 1.405 -2.072 1.00 0.86 H new ATOM 0 HE2 LYS A 27 21.599 -0.300 -0.361 1.00 0.98 H new ATOM 0 HE3 LYS A 27 20.074 -1.122 -0.621 1.00 0.98 H new ATOM 0 HZ1 LYS A 27 21.847 -2.144 -1.884 1.00 0.97 H new ATOM 0 HZ2 LYS A 27 20.693 -1.479 -2.938 1.00 0.97 H new ATOM 0 HZ3 LYS A 27 22.171 -0.682 -2.685 1.00 0.97 H new ATOM 385 N ALA A 28 19.188 3.334 2.424 1.00 0.44 N ATOM 386 CA ALA A 28 20.070 3.886 3.443 1.00 0.53 C ATOM 387 C ALA A 28 19.325 3.999 4.765 1.00 0.49 C ATOM 388 O ALA A 28 19.926 4.024 5.841 1.00 0.63 O ATOM 389 CB ALA A 28 20.603 5.245 3.013 1.00 0.65 C ATOM 0 H ALA A 28 18.911 3.999 1.702 1.00 0.44 H new ATOM 0 HA ALA A 28 20.919 3.215 3.572 1.00 0.53 H new ATOM 0 HB1 ALA A 28 21.260 5.640 3.788 1.00 0.65 H new ATOM 0 HB2 ALA A 28 21.162 5.139 2.083 1.00 0.65 H new ATOM 0 HB3 ALA A 28 19.770 5.931 2.859 1.00 0.65 H new ATOM 395 N CYS A 29 18.009 4.058 4.668 1.00 0.37 N ATOM 396 CA CYS A 29 17.152 4.078 5.834 1.00 0.40 C ATOM 397 C CYS A 29 16.855 2.649 6.259 1.00 0.40 C ATOM 398 O CYS A 29 16.747 1.754 5.423 1.00 0.40 O ATOM 399 CB CYS A 29 15.854 4.827 5.519 1.00 0.41 C ATOM 400 SG CYS A 29 16.107 6.566 5.037 1.00 0.49 S ATOM 0 H CYS A 29 17.508 4.093 3.780 1.00 0.37 H new ATOM 0 HA CYS A 29 17.655 4.596 6.650 1.00 0.40 H new ATOM 0 HB2 CYS A 29 15.333 4.309 4.714 1.00 0.41 H new ATOM 0 HB3 CYS A 29 15.204 4.793 6.394 1.00 0.41 H new ATOM 0 HG CYS A 29 15.830 7.340 6.044 1.00 0.49 H new ATOM 405 N LYS A 30 16.756 2.428 7.557 1.00 0.49 N ATOM 406 CA LYS A 30 16.527 1.088 8.078 1.00 0.59 C ATOM 407 C LYS A 30 15.037 0.805 8.168 1.00 0.51 C ATOM 408 O LYS A 30 14.614 -0.349 8.147 1.00 0.52 O ATOM 409 CB LYS A 30 17.195 0.903 9.449 1.00 0.81 C ATOM 410 CG LYS A 30 18.722 0.843 9.402 1.00 1.42 C ATOM 411 CD LYS A 30 19.330 2.164 8.960 1.00 2.13 C ATOM 412 CE LYS A 30 20.821 2.045 8.699 1.00 2.73 C ATOM 413 NZ LYS A 30 21.382 3.298 8.127 1.00 3.49 N1+ ATOM 0 H LYS A 30 16.830 3.154 8.269 1.00 0.49 H new ATOM 0 HA LYS A 30 16.978 0.375 7.388 1.00 0.59 H new ATOM 0 HB2 LYS A 30 16.895 1.724 10.100 1.00 0.81 H new ATOM 0 HB3 LYS A 30 16.821 -0.015 9.902 1.00 0.81 H new ATOM 0 HG2 LYS A 30 19.105 0.579 10.388 1.00 1.42 H new ATOM 0 HG3 LYS A 30 19.033 0.054 8.718 1.00 1.42 H new ATOM 0 HD2 LYS A 30 18.830 2.508 8.055 1.00 2.13 H new ATOM 0 HD3 LYS A 30 19.155 2.918 9.727 1.00 2.13 H new ATOM 0 HE2 LYS A 30 21.335 1.808 9.630 1.00 2.73 H new ATOM 0 HE3 LYS A 30 21.005 1.218 8.014 1.00 2.73 H new ATOM 0 HZ1 LYS A 30 22.405 3.184 7.978 1.00 3.49 H new ATOM 0 HZ2 LYS A 30 20.920 3.502 7.218 1.00 3.49 H new ATOM 0 HZ3 LYS A 30 21.213 4.086 8.785 1.00 3.49 H new ATOM 427 N GLU A 31 14.249 1.867 8.257 1.00 0.51 N ATOM 428 CA GLU A 31 12.799 1.756 8.273 1.00 0.52 C ATOM 429 C GLU A 31 12.182 2.892 7.470 1.00 0.42 C ATOM 430 O GLU A 31 12.650 4.030 7.532 1.00 0.44 O ATOM 431 CB GLU A 31 12.265 1.777 9.707 1.00 0.69 C ATOM 432 CG GLU A 31 12.689 0.577 10.534 1.00 1.15 C ATOM 433 CD GLU A 31 12.169 0.629 11.950 1.00 1.39 C ATOM 434 OE1 GLU A 31 12.693 1.430 12.752 1.00 2.00 O1- ATOM 435 OE2 GLU A 31 11.233 -0.134 12.271 1.00 1.71 O ATOM 0 H GLU A 31 14.595 2.824 8.320 1.00 0.51 H new ATOM 0 HA GLU A 31 12.523 0.804 7.820 1.00 0.52 H new ATOM 0 HB2 GLU A 31 12.609 2.686 10.200 1.00 0.69 H new ATOM 0 HB3 GLU A 31 11.176 1.821 9.679 1.00 0.69 H new ATOM 0 HG2 GLU A 31 12.332 -0.334 10.054 1.00 1.15 H new ATOM 0 HG3 GLU A 31 13.777 0.521 10.553 1.00 1.15 H new ATOM 442 N PHE A 32 11.144 2.577 6.712 1.00 0.36 N ATOM 443 CA PHE A 32 10.466 3.572 5.896 1.00 0.30 C ATOM 444 C PHE A 32 8.998 3.653 6.293 1.00 0.25 C ATOM 445 O PHE A 32 8.328 2.628 6.427 1.00 0.29 O ATOM 446 CB PHE A 32 10.596 3.212 4.416 1.00 0.32 C ATOM 447 CG PHE A 32 10.202 4.322 3.483 1.00 0.30 C ATOM 448 CD1 PHE A 32 11.074 5.363 3.205 1.00 0.30 C ATOM 449 CD2 PHE A 32 8.952 4.327 2.891 1.00 0.32 C ATOM 450 CE1 PHE A 32 10.703 6.384 2.351 1.00 0.32 C ATOM 451 CE2 PHE A 32 8.577 5.346 2.038 1.00 0.34 C ATOM 452 CZ PHE A 32 9.496 6.372 1.748 1.00 0.34 C ATOM 0 H PHE A 32 10.752 1.638 6.645 1.00 0.36 H new ATOM 0 HA PHE A 32 10.929 4.545 6.060 1.00 0.30 H new ATOM 0 HB2 PHE A 32 11.628 2.927 4.211 1.00 0.32 H new ATOM 0 HB3 PHE A 32 9.977 2.339 4.209 1.00 0.32 H new ATOM 0 HD1 PHE A 32 12.053 5.376 3.660 1.00 0.30 H new ATOM 0 HD2 PHE A 32 8.261 3.524 3.099 1.00 0.32 H new ATOM 0 HE1 PHE A 32 11.386 7.200 2.164 1.00 0.32 H new ATOM 0 HE2 PHE A 32 7.590 5.356 1.599 1.00 0.34 H new ATOM 0 HZ PHE A 32 9.235 7.148 1.044 1.00 0.34 H new ATOM 462 N THR A 33 8.508 4.866 6.479 1.00 0.21 N ATOM 463 CA THR A 33 7.141 5.077 6.922 1.00 0.19 C ATOM 464 C THR A 33 6.303 5.731 5.828 1.00 0.17 C ATOM 465 O THR A 33 6.724 6.700 5.202 1.00 0.26 O ATOM 466 CB THR A 33 7.111 5.949 8.195 1.00 0.24 C ATOM 467 OG1 THR A 33 7.860 5.307 9.237 1.00 0.32 O ATOM 468 CG2 THR A 33 5.686 6.192 8.671 1.00 0.26 C ATOM 0 H THR A 33 9.039 5.724 6.329 1.00 0.21 H new ATOM 0 HA THR A 33 6.713 4.101 7.149 1.00 0.19 H new ATOM 0 HB THR A 33 7.558 6.913 7.953 1.00 0.24 H new ATOM 0 HG1 THR A 33 7.359 4.534 9.572 1.00 0.32 H new ATOM 0 HG21 THR A 33 5.703 6.809 9.569 1.00 0.26 H new ATOM 0 HG22 THR A 33 5.124 6.703 7.890 1.00 0.26 H new ATOM 0 HG23 THR A 33 5.210 5.238 8.896 1.00 0.26 H new ATOM 476 N ILE A 34 5.121 5.187 5.598 1.00 0.16 N ATOM 477 CA ILE A 34 4.213 5.727 4.601 1.00 0.17 C ATOM 478 C ILE A 34 2.897 6.121 5.252 1.00 0.17 C ATOM 479 O ILE A 34 2.314 5.343 6.006 1.00 0.21 O ATOM 480 CB ILE A 34 3.929 4.710 3.472 1.00 0.18 C ATOM 481 CG1 ILE A 34 5.235 4.304 2.784 1.00 0.19 C ATOM 482 CG2 ILE A 34 2.943 5.293 2.463 1.00 0.23 C ATOM 483 CD1 ILE A 34 5.063 3.250 1.710 1.00 0.22 C ATOM 0 H ILE A 34 4.766 4.368 6.091 1.00 0.16 H new ATOM 0 HA ILE A 34 4.695 6.602 4.165 1.00 0.17 H new ATOM 0 HB ILE A 34 3.479 3.819 3.909 1.00 0.18 H new ATOM 0 HG12 ILE A 34 5.691 5.189 2.340 1.00 0.19 H new ATOM 0 HG13 ILE A 34 5.930 3.931 3.537 1.00 0.19 H new ATOM 0 HG21 ILE A 34 2.755 4.564 1.675 1.00 0.23 H new ATOM 0 HG22 ILE A 34 2.007 5.533 2.966 1.00 0.23 H new ATOM 0 HG23 ILE A 34 3.363 6.199 2.026 1.00 0.23 H new ATOM 0 HD11 ILE A 34 6.033 3.017 1.271 1.00 0.22 H new ATOM 0 HD12 ILE A 34 4.637 2.348 2.150 1.00 0.22 H new ATOM 0 HD13 ILE A 34 4.395 3.626 0.935 1.00 0.22 H new ATOM 495 N THR A 35 2.446 7.332 4.974 1.00 0.18 N ATOM 496 CA THR A 35 1.177 7.809 5.491 1.00 0.19 C ATOM 497 C THR A 35 0.156 7.935 4.365 1.00 0.17 C ATOM 498 O THR A 35 0.414 8.580 3.349 1.00 0.20 O ATOM 499 CB THR A 35 1.341 9.168 6.198 1.00 0.23 C ATOM 500 OG1 THR A 35 2.295 9.043 7.264 1.00 0.23 O ATOM 501 CG2 THR A 35 0.013 9.665 6.755 1.00 0.28 C ATOM 0 H THR A 35 2.943 8.005 4.390 1.00 0.18 H new ATOM 0 HA THR A 35 0.820 7.081 6.219 1.00 0.19 H new ATOM 0 HB THR A 35 1.695 9.893 5.466 1.00 0.23 H new ATOM 0 HG1 THR A 35 2.400 9.908 7.712 1.00 0.23 H new ATOM 0 HG21 THR A 35 0.162 10.626 7.248 1.00 0.28 H new ATOM 0 HG22 THR A 35 -0.702 9.782 5.941 1.00 0.28 H new ATOM 0 HG23 THR A 35 -0.372 8.944 7.476 1.00 0.28 H new ATOM 509 N LEU A 36 -0.992 7.306 4.548 1.00 0.16 N ATOM 510 CA LEU A 36 -2.054 7.349 3.560 1.00 0.14 C ATOM 511 C LEU A 36 -3.145 8.312 4.009 1.00 0.17 C ATOM 512 O LEU A 36 -3.680 8.187 5.112 1.00 0.20 O ATOM 513 CB LEU A 36 -2.644 5.949 3.358 1.00 0.16 C ATOM 514 CG LEU A 36 -3.665 5.820 2.221 1.00 0.14 C ATOM 515 CD1 LEU A 36 -2.997 6.018 0.870 1.00 0.17 C ATOM 516 CD2 LEU A 36 -4.361 4.468 2.276 1.00 0.18 C ATOM 0 H LEU A 36 -1.213 6.756 5.378 1.00 0.16 H new ATOM 0 HA LEU A 36 -1.640 7.697 2.614 1.00 0.14 H new ATOM 0 HB2 LEU A 36 -1.827 5.253 3.169 1.00 0.16 H new ATOM 0 HB3 LEU A 36 -3.120 5.637 4.288 1.00 0.16 H new ATOM 0 HG LEU A 36 -4.415 6.600 2.350 1.00 0.14 H new ATOM 0 HD11 LEU A 36 -3.741 5.922 0.079 1.00 0.17 H new ATOM 0 HD12 LEU A 36 -2.548 7.011 0.828 1.00 0.17 H new ATOM 0 HD13 LEU A 36 -2.222 5.264 0.733 1.00 0.17 H new ATOM 0 HD21 LEU A 36 -5.081 4.396 1.461 1.00 0.18 H new ATOM 0 HD22 LEU A 36 -3.621 3.674 2.177 1.00 0.18 H new ATOM 0 HD23 LEU A 36 -4.880 4.364 3.229 1.00 0.18 H new ATOM 528 N LYS A 37 -3.457 9.279 3.161 1.00 0.21 N ATOM 529 CA LYS A 37 -4.496 10.255 3.459 1.00 0.27 C ATOM 530 C LYS A 37 -5.671 10.077 2.509 1.00 0.20 C ATOM 531 O LYS A 37 -5.570 10.380 1.320 1.00 0.22 O ATOM 532 CB LYS A 37 -3.949 11.686 3.335 1.00 0.42 C ATOM 533 CG LYS A 37 -2.838 12.027 4.318 1.00 1.22 C ATOM 534 CD LYS A 37 -3.334 12.048 5.755 1.00 1.21 C ATOM 535 CE LYS A 37 -2.301 12.653 6.692 1.00 2.09 C ATOM 536 NZ LYS A 37 -2.047 14.089 6.393 1.00 2.62 N1+ ATOM 0 H LYS A 37 -3.004 9.410 2.257 1.00 0.21 H new ATOM 0 HA LYS A 37 -4.831 10.093 4.484 1.00 0.27 H new ATOM 0 HB2 LYS A 37 -3.577 11.832 2.321 1.00 0.42 H new ATOM 0 HB3 LYS A 37 -4.770 12.388 3.477 1.00 0.42 H new ATOM 0 HG2 LYS A 37 -2.034 11.298 4.223 1.00 1.22 H new ATOM 0 HG3 LYS A 37 -2.417 13.000 4.066 1.00 1.22 H new ATOM 0 HD2 LYS A 37 -4.259 12.621 5.813 1.00 1.21 H new ATOM 0 HD3 LYS A 37 -3.567 11.033 6.075 1.00 1.21 H new ATOM 0 HE2 LYS A 37 -2.644 12.553 7.722 1.00 2.09 H new ATOM 0 HE3 LYS A 37 -1.368 12.096 6.611 1.00 2.09 H new ATOM 0 HZ1 LYS A 37 -1.620 14.546 7.224 1.00 2.62 H new ATOM 0 HZ2 LYS A 37 -1.398 14.166 5.584 1.00 2.62 H new ATOM 0 HZ3 LYS A 37 -2.945 14.560 6.162 1.00 2.62 H new ATOM 550 N HIS A 38 -6.781 9.571 3.023 1.00 0.18 N ATOM 551 CA HIS A 38 -7.974 9.405 2.207 1.00 0.16 C ATOM 552 C HIS A 38 -8.808 10.678 2.249 1.00 0.23 C ATOM 553 O HIS A 38 -9.645 10.860 3.134 1.00 0.29 O ATOM 554 CB HIS A 38 -8.807 8.206 2.675 1.00 0.21 C ATOM 555 CG HIS A 38 -9.997 7.910 1.807 1.00 0.20 C ATOM 556 ND1 HIS A 38 -10.191 8.468 0.559 1.00 0.18 N ATOM 557 CD2 HIS A 38 -11.068 7.116 2.028 1.00 0.29 C ATOM 558 CE1 HIS A 38 -11.333 8.031 0.060 1.00 0.19 C ATOM 559 NE2 HIS A 38 -11.886 7.204 0.929 1.00 0.24 N ATOM 0 H HIS A 38 -6.881 9.270 3.993 1.00 0.18 H new ATOM 0 HA HIS A 38 -7.663 9.212 1.180 1.00 0.16 H new ATOM 0 HB2 HIS A 38 -8.167 7.324 2.709 1.00 0.21 H new ATOM 0 HB3 HIS A 38 -9.150 8.391 3.693 1.00 0.21 H new ATOM 0 HD1 HIS A 38 -9.553 9.115 0.096 1.00 0.18 H new ATOM 0 HD2 HIS A 38 -11.248 6.520 2.910 1.00 0.29 H new ATOM 0 HE1 HIS A 38 -11.746 8.304 -0.900 1.00 0.19 H new ATOM 0 HE2 HIS A 38 -12.772 6.713 0.804 1.00 0.24 H new ATOM 568 N THR A 39 -8.579 11.543 1.275 1.00 0.30 N ATOM 569 CA THR A 39 -9.252 12.827 1.202 1.00 0.44 C ATOM 570 C THR A 39 -10.635 12.692 0.563 1.00 0.55 C ATOM 571 O THR A 39 -10.945 13.332 -0.442 1.00 1.42 O ATOM 572 CB THR A 39 -8.397 13.831 0.411 1.00 0.52 C ATOM 573 OG1 THR A 39 -7.970 13.239 -0.825 1.00 1.60 O ATOM 574 CG2 THR A 39 -7.178 14.252 1.220 1.00 1.46 C ATOM 0 H THR A 39 -7.922 11.374 0.514 1.00 0.30 H new ATOM 0 HA THR A 39 -9.385 13.196 2.219 1.00 0.44 H new ATOM 0 HB THR A 39 -9.003 14.713 0.204 1.00 0.52 H new ATOM 0 HG1 THR A 39 -7.427 13.883 -1.326 1.00 1.60 H new ATOM 0 HG21 THR A 39 -6.586 14.962 0.643 1.00 1.46 H new ATOM 0 HG22 THR A 39 -7.502 14.720 2.149 1.00 1.46 H new ATOM 0 HG23 THR A 39 -6.572 13.375 1.448 1.00 1.46 H new ATOM 582 N GLY A 40 -11.453 11.838 1.152 1.00 0.61 N ATOM 583 CA GLY A 40 -12.810 11.652 0.687 1.00 0.56 C ATOM 584 C GLY A 40 -13.751 11.428 1.849 1.00 0.66 C ATOM 585 O GLY A 40 -13.313 11.017 2.921 1.00 1.16 O ATOM 0 H GLY A 40 -11.198 11.263 1.955 1.00 0.61 H new ATOM 0 HA2 GLY A 40 -13.128 12.527 0.120 1.00 0.56 H new ATOM 0 HA3 GLY A 40 -12.853 10.800 0.009 1.00 0.56 H new ATOM 589 N THR A 41 -15.035 11.676 1.643 1.00 0.46 N ATOM 590 CA THR A 41 -16.015 11.597 2.722 1.00 0.53 C ATOM 591 C THR A 41 -16.864 10.332 2.627 1.00 0.46 C ATOM 592 O THR A 41 -17.939 10.242 3.222 1.00 0.75 O ATOM 593 CB THR A 41 -16.935 12.831 2.708 1.00 0.71 C ATOM 594 OG1 THR A 41 -17.370 13.104 1.364 1.00 1.41 O ATOM 595 CG2 THR A 41 -16.214 14.047 3.273 1.00 1.53 C ATOM 0 H THR A 41 -15.426 11.935 0.737 1.00 0.46 H new ATOM 0 HA THR A 41 -15.458 11.566 3.658 1.00 0.53 H new ATOM 0 HB THR A 41 -17.803 12.620 3.333 1.00 0.71 H new ATOM 0 HG1 THR A 41 -17.471 12.261 0.875 1.00 1.41 H new ATOM 0 HG21 THR A 41 -16.882 14.908 3.254 1.00 1.53 H new ATOM 0 HG22 THR A 41 -15.911 13.846 4.301 1.00 1.53 H new ATOM 0 HG23 THR A 41 -15.331 14.259 2.670 1.00 1.53 H new ATOM 603 N GLN A 42 -16.375 9.356 1.880 1.00 0.41 N ATOM 604 CA GLN A 42 -17.108 8.118 1.674 1.00 0.35 C ATOM 605 C GLN A 42 -16.580 7.025 2.599 1.00 0.29 C ATOM 606 O GLN A 42 -15.368 6.871 2.761 1.00 0.31 O ATOM 607 CB GLN A 42 -17.017 7.670 0.208 1.00 0.39 C ATOM 608 CG GLN A 42 -17.865 8.495 -0.763 1.00 0.59 C ATOM 609 CD GLN A 42 -17.357 9.911 -0.960 1.00 1.37 C ATOM 610 OE1 GLN A 42 -17.738 10.833 -0.240 1.00 1.89 O ATOM 611 NE2 GLN A 42 -16.510 10.098 -1.951 1.00 2.08 N ATOM 0 H GLN A 42 -15.473 9.397 1.406 1.00 0.41 H new ATOM 0 HA GLN A 42 -18.156 8.298 1.912 1.00 0.35 H new ATOM 0 HB2 GLN A 42 -15.975 7.718 -0.109 1.00 0.39 H new ATOM 0 HB3 GLN A 42 -17.323 6.626 0.141 1.00 0.39 H new ATOM 0 HG2 GLN A 42 -17.892 7.990 -1.728 1.00 0.59 H new ATOM 0 HG3 GLN A 42 -18.890 8.534 -0.395 1.00 0.59 H new ATOM 0 HE21 GLN A 42 -16.217 9.309 -2.527 1.00 2.08 H new ATOM 0 HE22 GLN A 42 -16.147 11.032 -2.143 1.00 2.08 H new ATOM 620 N PRO A 43 -17.497 6.259 3.215 1.00 0.32 N ATOM 621 CA PRO A 43 -17.155 5.217 4.196 1.00 0.35 C ATOM 622 C PRO A 43 -16.365 4.067 3.577 1.00 0.31 C ATOM 623 O PRO A 43 -16.497 3.773 2.387 1.00 0.29 O ATOM 624 CB PRO A 43 -18.523 4.731 4.685 1.00 0.47 C ATOM 625 CG PRO A 43 -19.462 5.062 3.579 1.00 0.49 C ATOM 626 CD PRO A 43 -18.953 6.347 2.995 1.00 0.40 C ATOM 0 HA PRO A 43 -16.514 5.599 4.990 1.00 0.35 H new ATOM 0 HB2 PRO A 43 -18.513 3.660 4.888 1.00 0.47 H new ATOM 0 HB3 PRO A 43 -18.812 5.228 5.611 1.00 0.47 H new ATOM 0 HG2 PRO A 43 -19.481 4.270 2.830 1.00 0.49 H new ATOM 0 HG3 PRO A 43 -20.481 5.175 3.949 1.00 0.49 H new ATOM 0 HD2 PRO A 43 -19.196 6.433 1.936 1.00 0.40 H new ATOM 0 HD3 PRO A 43 -19.384 7.215 3.493 1.00 0.40 H new ATOM 634 N LYS A 44 -15.561 3.403 4.411 1.00 0.33 N ATOM 635 CA LYS A 44 -14.620 2.383 3.947 1.00 0.34 C ATOM 636 C LYS A 44 -15.339 1.154 3.403 1.00 0.36 C ATOM 637 O LYS A 44 -14.753 0.363 2.671 1.00 0.44 O ATOM 638 CB LYS A 44 -13.655 1.968 5.071 1.00 0.43 C ATOM 639 CG LYS A 44 -14.308 1.204 6.215 1.00 0.49 C ATOM 640 CD LYS A 44 -13.277 0.751 7.239 1.00 0.66 C ATOM 641 CE LYS A 44 -13.923 0.001 8.393 1.00 1.06 C ATOM 642 NZ LYS A 44 -12.922 -0.430 9.404 1.00 1.82 N1+ ATOM 0 H LYS A 44 -15.544 3.556 5.419 1.00 0.33 H new ATOM 0 HA LYS A 44 -14.046 2.829 3.134 1.00 0.34 H new ATOM 0 HB2 LYS A 44 -12.864 1.351 4.644 1.00 0.43 H new ATOM 0 HB3 LYS A 44 -13.180 2.863 5.473 1.00 0.43 H new ATOM 0 HG2 LYS A 44 -15.051 1.837 6.700 1.00 0.49 H new ATOM 0 HG3 LYS A 44 -14.837 0.336 5.820 1.00 0.49 H new ATOM 0 HD2 LYS A 44 -12.541 0.110 6.755 1.00 0.66 H new ATOM 0 HD3 LYS A 44 -12.740 1.618 7.624 1.00 0.66 H new ATOM 0 HE2 LYS A 44 -14.668 0.639 8.869 1.00 1.06 H new ATOM 0 HE3 LYS A 44 -14.450 -0.872 8.009 1.00 1.06 H new ATOM 0 HZ1 LYS A 44 -13.403 -0.938 10.174 1.00 1.82 H new ATOM 0 HZ2 LYS A 44 -12.225 -1.059 8.956 1.00 1.82 H new ATOM 0 HZ3 LYS A 44 -12.437 0.405 9.790 1.00 1.82 H new ATOM 656 N ALA A 45 -16.604 1.001 3.769 1.00 0.40 N ATOM 657 CA ALA A 45 -17.411 -0.112 3.288 1.00 0.46 C ATOM 658 C ALA A 45 -17.884 0.126 1.854 1.00 0.48 C ATOM 659 O ALA A 45 -18.416 -0.776 1.207 1.00 0.58 O ATOM 660 CB ALA A 45 -18.598 -0.334 4.212 1.00 0.59 C ATOM 0 H ALA A 45 -17.095 1.635 4.399 1.00 0.40 H new ATOM 0 HA ALA A 45 -16.790 -1.008 3.288 1.00 0.46 H new ATOM 0 HB1 ALA A 45 -19.195 -1.168 3.843 1.00 0.59 H new ATOM 0 HB2 ALA A 45 -18.240 -0.560 5.216 1.00 0.59 H new ATOM 0 HB3 ALA A 45 -19.211 0.567 4.239 1.00 0.59 H new ATOM 666 N SER A 46 -17.687 1.341 1.360 1.00 0.49 N ATOM 667 CA SER A 46 -18.105 1.691 0.011 1.00 0.63 C ATOM 668 C SER A 46 -16.908 2.172 -0.807 1.00 0.47 C ATOM 669 O SER A 46 -16.609 1.629 -1.871 1.00 0.61 O ATOM 670 CB SER A 46 -19.198 2.767 0.064 1.00 0.83 C ATOM 671 OG SER A 46 -19.701 3.063 -1.228 1.00 1.51 O ATOM 0 H SER A 46 -17.240 2.100 1.874 1.00 0.49 H new ATOM 0 HA SER A 46 -18.515 0.806 -0.476 1.00 0.63 H new ATOM 0 HB2 SER A 46 -20.013 2.428 0.704 1.00 0.83 H new ATOM 0 HB3 SER A 46 -18.795 3.674 0.515 1.00 0.83 H new ATOM 0 HG SER A 46 -20.396 3.750 -1.159 1.00 1.51 H new ATOM 677 N MET A 47 -16.211 3.176 -0.296 1.00 0.27 N ATOM 678 CA MET A 47 -15.022 3.697 -0.957 1.00 0.21 C ATOM 679 C MET A 47 -13.867 3.722 0.033 1.00 0.17 C ATOM 680 O MET A 47 -13.412 4.785 0.473 1.00 0.19 O ATOM 681 CB MET A 47 -15.283 5.097 -1.524 1.00 0.29 C ATOM 682 CG MET A 47 -14.090 5.708 -2.255 1.00 0.42 C ATOM 683 SD MET A 47 -13.623 4.803 -3.743 1.00 1.13 S ATOM 684 CE MET A 47 -15.073 5.045 -4.759 1.00 0.81 C ATOM 0 H MET A 47 -16.448 3.648 0.577 1.00 0.27 H new ATOM 0 HA MET A 47 -14.763 3.046 -1.792 1.00 0.21 H new ATOM 0 HB2 MET A 47 -16.129 5.047 -2.210 1.00 0.29 H new ATOM 0 HB3 MET A 47 -15.573 5.759 -0.708 1.00 0.29 H new ATOM 0 HG2 MET A 47 -14.326 6.738 -2.524 1.00 0.42 H new ATOM 0 HG3 MET A 47 -13.237 5.743 -1.577 1.00 0.42 H new ATOM 0 HE1 MET A 47 -14.785 5.043 -5.810 1.00 0.81 H new ATOM 0 HE2 MET A 47 -15.784 4.239 -4.576 1.00 0.81 H new ATOM 0 HE3 MET A 47 -15.536 6.000 -4.511 1.00 0.81 H new ATOM 694 N GLY A 48 -13.429 2.534 0.410 1.00 0.14 N ATOM 695 CA GLY A 48 -12.327 2.407 1.330 1.00 0.12 C ATOM 696 C GLY A 48 -11.025 2.207 0.603 1.00 0.11 C ATOM 697 O GLY A 48 -11.003 1.693 -0.518 1.00 0.13 O ATOM 0 H GLY A 48 -13.822 1.649 0.091 1.00 0.14 H new ATOM 0 HA2 GLY A 48 -12.265 3.300 1.951 1.00 0.12 H new ATOM 0 HA3 GLY A 48 -12.505 1.565 1.999 1.00 0.12 H new ATOM 701 N HIS A 49 -9.933 2.625 1.222 1.00 0.11 N ATOM 702 CA HIS A 49 -8.623 2.474 0.608 1.00 0.11 C ATOM 703 C HIS A 49 -7.624 1.934 1.608 1.00 0.12 C ATOM 704 O HIS A 49 -7.753 2.152 2.817 1.00 0.15 O ATOM 705 CB HIS A 49 -8.094 3.804 0.056 1.00 0.12 C ATOM 706 CG HIS A 49 -8.907 4.394 -1.050 1.00 0.12 C ATOM 707 ND1 HIS A 49 -9.177 3.704 -2.206 1.00 0.13 N ATOM 708 CD2 HIS A 49 -9.466 5.623 -1.129 1.00 0.13 C ATOM 709 CE1 HIS A 49 -9.892 4.527 -2.955 1.00 0.14 C ATOM 710 NE2 HIS A 49 -10.091 5.703 -2.346 1.00 0.14 N ATOM 0 H HIS A 49 -9.926 3.068 2.141 1.00 0.11 H new ATOM 0 HA HIS A 49 -8.742 1.773 -0.218 1.00 0.11 H new ATOM 0 HB2 HIS A 49 -8.041 4.524 0.872 1.00 0.12 H new ATOM 0 HB3 HIS A 49 -7.076 3.653 -0.302 1.00 0.12 H new ATOM 0 HD2 HIS A 49 -9.427 6.396 -0.375 1.00 0.13 H new ATOM 0 HE1 HIS A 49 -10.269 4.281 -3.937 1.00 0.14 H new ATOM 0 HE2 HIS A 49 -10.607 6.502 -2.716 1.00 0.14 H new ATOM 718 N ASN A 50 -6.639 1.224 1.095 1.00 0.12 N ATOM 719 CA ASN A 50 -5.514 0.780 1.888 1.00 0.19 C ATOM 720 C ASN A 50 -4.271 0.759 1.012 1.00 0.24 C ATOM 721 O ASN A 50 -4.363 0.919 -0.203 1.00 0.43 O ATOM 722 CB ASN A 50 -5.786 -0.601 2.518 1.00 0.29 C ATOM 723 CG ASN A 50 -5.919 -1.744 1.515 1.00 0.67 C ATOM 724 OD1 ASN A 50 -5.293 -1.759 0.462 1.00 1.48 O ATOM 725 ND2 ASN A 50 -6.721 -2.739 1.859 1.00 0.69 N ATOM 0 H ASN A 50 -6.598 0.939 0.116 1.00 0.12 H new ATOM 0 HA ASN A 50 -5.356 1.474 2.713 1.00 0.19 H new ATOM 0 HB2 ASN A 50 -4.977 -0.835 3.210 1.00 0.29 H new ATOM 0 HB3 ASN A 50 -6.702 -0.543 3.106 1.00 0.29 H new ATOM 0 HD21 ASN A 50 -6.829 -3.544 1.241 1.00 0.69 H new ATOM 0 HD22 ASN A 50 -7.231 -2.701 2.742 1.00 0.69 H new ATOM 732 N LEU A 51 -3.113 0.599 1.617 1.00 0.17 N ATOM 733 CA LEU A 51 -1.882 0.512 0.859 1.00 0.17 C ATOM 734 C LEU A 51 -1.049 -0.656 1.365 1.00 0.17 C ATOM 735 O LEU A 51 -0.663 -0.698 2.535 1.00 0.20 O ATOM 736 CB LEU A 51 -1.111 1.840 0.947 1.00 0.18 C ATOM 737 CG LEU A 51 0.077 1.991 -0.013 1.00 0.20 C ATOM 738 CD1 LEU A 51 0.290 3.457 -0.363 1.00 0.20 C ATOM 739 CD2 LEU A 51 1.348 1.420 0.602 1.00 0.22 C ATOM 0 H LEU A 51 -2.998 0.527 2.628 1.00 0.17 H new ATOM 0 HA LEU A 51 -2.111 0.333 -0.192 1.00 0.17 H new ATOM 0 HB2 LEU A 51 -1.809 2.656 0.761 1.00 0.18 H new ATOM 0 HB3 LEU A 51 -0.746 1.959 1.967 1.00 0.18 H new ATOM 0 HG LEU A 51 -0.151 1.434 -0.922 1.00 0.20 H new ATOM 0 HD11 LEU A 51 1.136 3.549 -1.044 1.00 0.20 H new ATOM 0 HD12 LEU A 51 -0.607 3.851 -0.842 1.00 0.20 H new ATOM 0 HD13 LEU A 51 0.494 4.022 0.546 1.00 0.20 H new ATOM 0 HD21 LEU A 51 2.176 1.539 -0.097 1.00 0.22 H new ATOM 0 HD22 LEU A 51 1.575 1.951 1.527 1.00 0.22 H new ATOM 0 HD23 LEU A 51 1.204 0.361 0.817 1.00 0.22 H new ATOM 751 N VAL A 52 -0.822 -1.624 0.493 1.00 0.17 N ATOM 752 CA VAL A 52 0.002 -2.774 0.819 1.00 0.20 C ATOM 753 C VAL A 52 1.218 -2.810 -0.097 1.00 0.22 C ATOM 754 O VAL A 52 1.146 -2.382 -1.251 1.00 0.30 O ATOM 755 CB VAL A 52 -0.788 -4.102 0.686 1.00 0.25 C ATOM 756 CG1 VAL A 52 -1.094 -4.415 -0.770 1.00 1.25 C ATOM 757 CG2 VAL A 52 -0.041 -5.262 1.332 1.00 1.46 C ATOM 0 H VAL A 52 -1.201 -1.635 -0.454 1.00 0.17 H new ATOM 0 HA VAL A 52 0.319 -2.674 1.857 1.00 0.20 H new ATOM 0 HB VAL A 52 -1.732 -3.971 1.215 1.00 0.25 H new ATOM 0 HG11 VAL A 52 -1.648 -5.351 -0.832 1.00 1.25 H new ATOM 0 HG12 VAL A 52 -1.692 -3.610 -1.197 1.00 1.25 H new ATOM 0 HG13 VAL A 52 -0.161 -4.508 -1.326 1.00 1.25 H new ATOM 0 HG21 VAL A 52 -0.623 -6.177 1.220 1.00 1.46 H new ATOM 0 HG22 VAL A 52 0.927 -5.386 0.847 1.00 1.46 H new ATOM 0 HG23 VAL A 52 0.108 -5.054 2.392 1.00 1.46 H new ATOM 767 N ILE A 53 2.332 -3.286 0.426 1.00 0.21 N ATOM 768 CA ILE A 53 3.539 -3.437 -0.366 1.00 0.23 C ATOM 769 C ILE A 53 3.991 -4.891 -0.364 1.00 0.19 C ATOM 770 O ILE A 53 4.190 -5.487 0.699 1.00 0.20 O ATOM 771 CB ILE A 53 4.674 -2.523 0.150 1.00 0.31 C ATOM 772 CG1 ILE A 53 4.317 -1.054 -0.108 1.00 0.45 C ATOM 773 CG2 ILE A 53 6.000 -2.879 -0.509 1.00 0.30 C ATOM 774 CD1 ILE A 53 5.393 -0.073 0.302 1.00 0.51 C ATOM 0 H ILE A 53 2.427 -3.576 1.399 1.00 0.21 H new ATOM 0 HA ILE A 53 3.308 -3.136 -1.388 1.00 0.23 H new ATOM 0 HB ILE A 53 4.785 -2.676 1.224 1.00 0.31 H new ATOM 0 HG12 ILE A 53 4.108 -0.924 -1.170 1.00 0.45 H new ATOM 0 HG13 ILE A 53 3.399 -0.815 0.429 1.00 0.45 H new ATOM 0 HG21 ILE A 53 6.783 -2.222 -0.130 1.00 0.30 H new ATOM 0 HG22 ILE A 53 6.253 -3.914 -0.281 1.00 0.30 H new ATOM 0 HG23 ILE A 53 5.914 -2.756 -1.589 1.00 0.30 H new ATOM 0 HD11 ILE A 53 5.061 0.942 0.086 1.00 0.51 H new ATOM 0 HD12 ILE A 53 5.588 -0.172 1.370 1.00 0.51 H new ATOM 0 HD13 ILE A 53 6.307 -0.282 -0.254 1.00 0.51 H new ATOM 786 N ALA A 54 4.126 -5.459 -1.555 1.00 0.22 N ATOM 787 CA ALA A 54 4.531 -6.846 -1.703 1.00 0.27 C ATOM 788 C ALA A 54 5.340 -7.038 -2.981 1.00 0.31 C ATOM 789 O ALA A 54 5.491 -6.111 -3.782 1.00 0.30 O ATOM 790 CB ALA A 54 3.308 -7.750 -1.705 1.00 0.32 C ATOM 0 H ALA A 54 3.959 -4.975 -2.437 1.00 0.22 H new ATOM 0 HA ALA A 54 5.164 -7.115 -0.857 1.00 0.27 H new ATOM 0 HB1 ALA A 54 3.623 -8.788 -1.816 1.00 0.32 H new ATOM 0 HB2 ALA A 54 2.768 -7.634 -0.765 1.00 0.32 H new ATOM 0 HB3 ALA A 54 2.656 -7.478 -2.535 1.00 0.32 H new ATOM 796 N LYS A 55 5.867 -8.244 -3.159 1.00 0.43 N ATOM 797 CA LYS A 55 6.675 -8.574 -4.322 1.00 0.52 C ATOM 798 C LYS A 55 5.780 -8.735 -5.550 1.00 0.53 C ATOM 799 O LYS A 55 4.811 -9.490 -5.527 1.00 0.64 O ATOM 800 CB LYS A 55 7.465 -9.855 -4.036 1.00 0.69 C ATOM 801 CG LYS A 55 8.479 -10.232 -5.105 1.00 1.04 C ATOM 802 CD LYS A 55 9.363 -11.377 -4.631 1.00 1.03 C ATOM 803 CE LYS A 55 10.296 -11.867 -5.728 1.00 1.01 C ATOM 804 NZ LYS A 55 11.208 -12.935 -5.237 1.00 1.46 N1+ ATOM 0 H LYS A 55 5.746 -9.016 -2.503 1.00 0.43 H new ATOM 0 HA LYS A 55 7.380 -7.769 -4.528 1.00 0.52 H new ATOM 0 HB2 LYS A 55 7.986 -9.739 -3.086 1.00 0.69 H new ATOM 0 HB3 LYS A 55 6.762 -10.679 -3.915 1.00 0.69 H new ATOM 0 HG2 LYS A 55 7.960 -10.521 -6.019 1.00 1.04 H new ATOM 0 HG3 LYS A 55 9.096 -9.367 -5.349 1.00 1.04 H new ATOM 0 HD2 LYS A 55 9.951 -11.050 -3.774 1.00 1.03 H new ATOM 0 HD3 LYS A 55 8.737 -12.202 -4.292 1.00 1.03 H new ATOM 0 HE2 LYS A 55 9.708 -12.246 -6.564 1.00 1.01 H new ATOM 0 HE3 LYS A 55 10.885 -11.031 -6.106 1.00 1.01 H new ATOM 0 HZ1 LYS A 55 11.927 -13.137 -5.961 1.00 1.46 H new ATOM 0 HZ2 LYS A 55 11.675 -12.618 -4.364 1.00 1.46 H new ATOM 0 HZ3 LYS A 55 10.660 -13.797 -5.043 1.00 1.46 H new ATOM 818 N ALA A 56 6.134 -8.018 -6.615 1.00 0.49 N ATOM 819 CA ALA A 56 5.290 -7.874 -7.802 1.00 0.52 C ATOM 820 C ALA A 56 4.905 -9.205 -8.435 1.00 0.61 C ATOM 821 O ALA A 56 3.814 -9.341 -8.987 1.00 0.77 O ATOM 822 CB ALA A 56 5.999 -7.013 -8.830 1.00 0.53 C ATOM 0 H ALA A 56 7.020 -7.517 -6.680 1.00 0.49 H new ATOM 0 HA ALA A 56 4.365 -7.401 -7.472 1.00 0.52 H new ATOM 0 HB1 ALA A 56 5.369 -6.907 -9.713 1.00 0.53 H new ATOM 0 HB2 ALA A 56 6.197 -6.029 -8.406 1.00 0.53 H new ATOM 0 HB3 ALA A 56 6.941 -7.483 -9.111 1.00 0.53 H new ATOM 828 N GLU A 57 5.793 -10.180 -8.354 1.00 0.65 N ATOM 829 CA GLU A 57 5.572 -11.464 -9.005 1.00 0.79 C ATOM 830 C GLU A 57 4.633 -12.351 -8.190 1.00 0.71 C ATOM 831 O GLU A 57 4.197 -13.402 -8.658 1.00 0.77 O ATOM 832 CB GLU A 57 6.906 -12.165 -9.246 1.00 1.01 C ATOM 833 CG GLU A 57 7.812 -11.411 -10.208 1.00 1.69 C ATOM 834 CD GLU A 57 7.197 -11.259 -11.585 1.00 2.26 C ATOM 835 OE1 GLU A 57 6.413 -10.309 -11.786 1.00 2.89 O ATOM 836 OE2 GLU A 57 7.497 -12.080 -12.479 1.00 2.58 O1- ATOM 0 H GLU A 57 6.674 -10.110 -7.845 1.00 0.65 H new ATOM 0 HA GLU A 57 5.092 -11.279 -9.966 1.00 0.79 H new ATOM 0 HB2 GLU A 57 7.421 -12.290 -8.294 1.00 1.01 H new ATOM 0 HB3 GLU A 57 6.719 -13.164 -9.640 1.00 1.01 H new ATOM 0 HG2 GLU A 57 8.029 -10.424 -9.800 1.00 1.69 H new ATOM 0 HG3 GLU A 57 8.763 -11.937 -10.294 1.00 1.69 H new ATOM 843 N ASP A 58 4.327 -11.924 -6.976 1.00 0.66 N ATOM 844 CA ASP A 58 3.376 -12.635 -6.131 1.00 0.71 C ATOM 845 C ASP A 58 2.250 -11.690 -5.707 1.00 0.65 C ATOM 846 O ASP A 58 1.389 -12.033 -4.895 1.00 0.65 O ATOM 847 CB ASP A 58 4.100 -13.214 -4.911 1.00 0.88 C ATOM 848 CG ASP A 58 3.213 -14.073 -4.033 1.00 1.36 C ATOM 849 OD1 ASP A 58 2.620 -15.041 -4.552 1.00 1.46 O ATOM 850 OD2 ASP A 58 3.095 -13.785 -2.822 1.00 2.15 O1- ATOM 0 H ASP A 58 4.724 -11.086 -6.551 1.00 0.66 H new ATOM 0 HA ASP A 58 2.935 -13.460 -6.691 1.00 0.71 H new ATOM 0 HB2 ASP A 58 4.948 -13.809 -5.250 1.00 0.88 H new ATOM 0 HB3 ASP A 58 4.504 -12.395 -4.315 1.00 0.88 H new ATOM 855 N MET A 59 2.251 -10.500 -6.301 1.00 0.64 N ATOM 856 CA MET A 59 1.310 -9.442 -5.941 1.00 0.64 C ATOM 857 C MET A 59 -0.119 -9.848 -6.279 1.00 0.60 C ATOM 858 O MET A 59 -1.062 -9.510 -5.562 1.00 0.57 O ATOM 859 CB MET A 59 1.670 -8.148 -6.676 1.00 0.78 C ATOM 860 CG MET A 59 0.995 -6.911 -6.108 1.00 0.58 C ATOM 861 SD MET A 59 1.540 -6.546 -4.431 1.00 0.65 S ATOM 862 CE MET A 59 0.672 -5.015 -4.115 1.00 0.35 C ATOM 0 H MET A 59 2.901 -10.242 -7.043 1.00 0.64 H new ATOM 0 HA MET A 59 1.377 -9.277 -4.866 1.00 0.64 H new ATOM 0 HB2 MET A 59 2.751 -8.010 -6.640 1.00 0.78 H new ATOM 0 HB3 MET A 59 1.396 -8.250 -7.726 1.00 0.78 H new ATOM 0 HG2 MET A 59 1.207 -6.057 -6.751 1.00 0.58 H new ATOM 0 HG3 MET A 59 -0.086 -7.054 -6.114 1.00 0.58 H new ATOM 0 HE1 MET A 59 1.136 -4.501 -3.273 1.00 0.35 H new ATOM 0 HE2 MET A 59 0.721 -4.380 -4.999 1.00 0.35 H new ATOM 0 HE3 MET A 59 -0.370 -5.230 -3.880 1.00 0.35 H new ATOM 872 N ASP A 60 -0.270 -10.588 -7.370 1.00 0.65 N ATOM 873 CA ASP A 60 -1.578 -11.051 -7.809 1.00 0.72 C ATOM 874 C ASP A 60 -2.201 -11.962 -6.766 1.00 0.67 C ATOM 875 O ASP A 60 -3.413 -11.932 -6.544 1.00 0.70 O ATOM 876 CB ASP A 60 -1.473 -11.779 -9.151 1.00 0.87 C ATOM 877 CG ASP A 60 -1.241 -10.833 -10.313 1.00 1.41 C ATOM 878 OD1 ASP A 60 -0.123 -10.291 -10.427 1.00 2.27 O ATOM 879 OD2 ASP A 60 -2.167 -10.632 -11.124 1.00 1.42 O1- ATOM 0 H ASP A 60 0.502 -10.881 -7.969 1.00 0.65 H new ATOM 0 HA ASP A 60 -2.219 -10.179 -7.937 1.00 0.72 H new ATOM 0 HB2 ASP A 60 -0.656 -12.500 -9.106 1.00 0.87 H new ATOM 0 HB3 ASP A 60 -2.388 -12.345 -9.325 1.00 0.87 H new ATOM 884 N GLY A 61 -1.364 -12.752 -6.107 1.00 0.65 N ATOM 885 CA GLY A 61 -1.842 -13.639 -5.067 1.00 0.66 C ATOM 886 C GLY A 61 -2.307 -12.873 -3.850 1.00 0.59 C ATOM 887 O GLY A 61 -3.206 -13.310 -3.131 1.00 0.63 O ATOM 0 H GLY A 61 -0.359 -12.794 -6.276 1.00 0.65 H new ATOM 0 HA2 GLY A 61 -2.663 -14.243 -5.453 1.00 0.66 H new ATOM 0 HA3 GLY A 61 -1.047 -14.328 -4.782 1.00 0.66 H new ATOM 891 N VAL A 62 -1.710 -11.707 -3.638 1.00 0.52 N ATOM 892 CA VAL A 62 -2.046 -10.867 -2.501 1.00 0.48 C ATOM 893 C VAL A 62 -3.485 -10.361 -2.619 1.00 0.45 C ATOM 894 O VAL A 62 -4.223 -10.318 -1.636 1.00 0.46 O ATOM 895 CB VAL A 62 -1.078 -9.667 -2.379 1.00 0.48 C ATOM 896 CG1 VAL A 62 -1.376 -8.851 -1.132 1.00 0.46 C ATOM 897 CG2 VAL A 62 0.370 -10.139 -2.366 1.00 0.55 C ATOM 0 H VAL A 62 -0.986 -11.322 -4.245 1.00 0.52 H new ATOM 0 HA VAL A 62 -1.950 -11.476 -1.602 1.00 0.48 H new ATOM 0 HB VAL A 62 -1.228 -9.029 -3.250 1.00 0.48 H new ATOM 0 HG11 VAL A 62 -0.681 -8.014 -1.070 1.00 0.46 H new ATOM 0 HG12 VAL A 62 -2.397 -8.472 -1.180 1.00 0.46 H new ATOM 0 HG13 VAL A 62 -1.264 -9.481 -0.250 1.00 0.46 H new ATOM 0 HG21 VAL A 62 1.033 -9.278 -2.280 1.00 0.55 H new ATOM 0 HG22 VAL A 62 0.528 -10.805 -1.518 1.00 0.55 H new ATOM 0 HG23 VAL A 62 0.587 -10.672 -3.291 1.00 0.55 H new ATOM 907 N PHE A 63 -3.883 -10.002 -3.836 1.00 0.45 N ATOM 908 CA PHE A 63 -5.250 -9.548 -4.087 1.00 0.45 C ATOM 909 C PHE A 63 -6.238 -10.697 -3.924 1.00 0.49 C ATOM 910 O PHE A 63 -7.380 -10.497 -3.508 1.00 0.53 O ATOM 911 CB PHE A 63 -5.383 -8.950 -5.493 1.00 0.47 C ATOM 912 CG PHE A 63 -4.491 -7.766 -5.732 1.00 0.39 C ATOM 913 CD1 PHE A 63 -4.646 -6.606 -4.991 1.00 0.31 C ATOM 914 CD2 PHE A 63 -3.500 -7.813 -6.698 1.00 0.48 C ATOM 915 CE1 PHE A 63 -3.829 -5.515 -5.209 1.00 0.30 C ATOM 916 CE2 PHE A 63 -2.678 -6.725 -6.920 1.00 0.46 C ATOM 917 CZ PHE A 63 -2.843 -5.576 -6.174 1.00 0.35 C ATOM 0 H PHE A 63 -3.283 -10.016 -4.661 1.00 0.45 H new ATOM 0 HA PHE A 63 -5.479 -8.774 -3.355 1.00 0.45 H new ATOM 0 HB2 PHE A 63 -5.154 -9.721 -6.229 1.00 0.47 H new ATOM 0 HB3 PHE A 63 -6.419 -8.652 -5.655 1.00 0.47 H new ATOM 0 HD1 PHE A 63 -5.415 -6.555 -4.234 1.00 0.31 H new ATOM 0 HD2 PHE A 63 -3.368 -8.710 -7.284 1.00 0.48 H new ATOM 0 HE1 PHE A 63 -3.961 -4.615 -4.626 1.00 0.30 H new ATOM 0 HE2 PHE A 63 -1.908 -6.774 -7.676 1.00 0.46 H new ATOM 0 HZ PHE A 63 -2.201 -4.724 -6.345 1.00 0.35 H new ATOM 927 N LYS A 64 -5.785 -11.906 -4.243 1.00 0.51 N ATOM 928 CA LYS A 64 -6.628 -13.092 -4.139 1.00 0.57 C ATOM 929 C LYS A 64 -6.900 -13.421 -2.677 1.00 0.57 C ATOM 930 O LYS A 64 -8.004 -13.827 -2.315 1.00 0.61 O ATOM 931 CB LYS A 64 -5.970 -14.291 -4.829 1.00 0.67 C ATOM 932 CG LYS A 64 -5.697 -14.081 -6.313 1.00 1.35 C ATOM 933 CD LYS A 64 -5.008 -15.284 -6.938 1.00 1.76 C ATOM 934 CE LYS A 64 -5.915 -16.504 -6.961 1.00 2.16 C ATOM 935 NZ LYS A 64 -5.267 -17.669 -7.616 1.00 3.03 N1+ ATOM 0 H LYS A 64 -4.838 -12.090 -4.576 1.00 0.51 H new ATOM 0 HA LYS A 64 -7.573 -12.880 -4.639 1.00 0.57 H new ATOM 0 HB2 LYS A 64 -5.030 -14.515 -4.326 1.00 0.67 H new ATOM 0 HB3 LYS A 64 -6.612 -15.164 -4.708 1.00 0.67 H new ATOM 0 HG2 LYS A 64 -6.637 -13.891 -6.832 1.00 1.35 H new ATOM 0 HG3 LYS A 64 -5.074 -13.196 -6.446 1.00 1.35 H new ATOM 0 HD2 LYS A 64 -4.701 -15.040 -7.955 1.00 1.76 H new ATOM 0 HD3 LYS A 64 -4.102 -15.515 -6.379 1.00 1.76 H new ATOM 0 HE2 LYS A 64 -6.191 -16.769 -5.940 1.00 2.16 H new ATOM 0 HE3 LYS A 64 -6.838 -16.260 -7.487 1.00 2.16 H new ATOM 0 HZ1 LYS A 64 -5.920 -18.478 -7.610 1.00 3.03 H new ATOM 0 HZ2 LYS A 64 -5.027 -17.426 -8.598 1.00 3.03 H new ATOM 0 HZ3 LYS A 64 -4.400 -17.920 -7.099 1.00 3.03 H new ATOM 949 N ASP A 65 -5.884 -13.253 -1.843 1.00 0.58 N ATOM 950 CA ASP A 65 -6.037 -13.455 -0.407 1.00 0.62 C ATOM 951 C ASP A 65 -6.813 -12.304 0.210 1.00 0.54 C ATOM 952 O ASP A 65 -7.511 -12.473 1.212 1.00 0.59 O ATOM 953 CB ASP A 65 -4.673 -13.573 0.280 1.00 0.74 C ATOM 954 CG ASP A 65 -3.980 -14.893 0.015 1.00 1.35 C ATOM 955 OD1 ASP A 65 -4.662 -15.867 -0.367 1.00 1.26 O ATOM 956 OD2 ASP A 65 -2.751 -14.970 0.207 1.00 2.28 O1- ATOM 0 H ASP A 65 -4.946 -12.978 -2.134 1.00 0.58 H new ATOM 0 HA ASP A 65 -6.587 -14.385 -0.259 1.00 0.62 H new ATOM 0 HB2 ASP A 65 -4.032 -12.760 -0.059 1.00 0.74 H new ATOM 0 HB3 ASP A 65 -4.804 -13.449 1.355 1.00 0.74 H new ATOM 961 N GLY A 66 -6.699 -11.139 -0.412 1.00 0.50 N ATOM 962 CA GLY A 66 -7.300 -9.937 0.125 1.00 0.47 C ATOM 963 C GLY A 66 -8.808 -9.923 0.013 1.00 0.43 C ATOM 964 O GLY A 66 -9.499 -9.585 0.974 1.00 0.40 O ATOM 0 H GLY A 66 -6.195 -11.006 -1.289 1.00 0.50 H new ATOM 0 HA2 GLY A 66 -7.019 -9.835 1.173 1.00 0.47 H new ATOM 0 HA3 GLY A 66 -6.895 -9.071 -0.399 1.00 0.47 H new ATOM 968 N VAL A 67 -9.324 -10.309 -1.148 1.00 0.49 N ATOM 969 CA VAL A 67 -10.763 -10.266 -1.397 1.00 0.52 C ATOM 970 C VAL A 67 -11.518 -11.234 -0.480 1.00 0.52 C ATOM 971 O VAL A 67 -12.720 -11.088 -0.259 1.00 0.59 O ATOM 972 CB VAL A 67 -11.086 -10.565 -2.884 1.00 0.66 C ATOM 973 CG1 VAL A 67 -10.683 -11.981 -3.262 1.00 1.04 C ATOM 974 CG2 VAL A 67 -12.560 -10.326 -3.185 1.00 0.92 C ATOM 0 H VAL A 67 -8.770 -10.655 -1.931 1.00 0.49 H new ATOM 0 HA VAL A 67 -11.099 -9.254 -1.172 1.00 0.52 H new ATOM 0 HB VAL A 67 -10.500 -9.875 -3.492 1.00 0.66 H new ATOM 0 HG11 VAL A 67 -10.922 -12.160 -4.310 1.00 1.04 H new ATOM 0 HG12 VAL A 67 -9.611 -12.108 -3.108 1.00 1.04 H new ATOM 0 HG13 VAL A 67 -11.226 -12.692 -2.639 1.00 1.04 H new ATOM 0 HG21 VAL A 67 -12.757 -10.544 -4.235 1.00 0.92 H new ATOM 0 HG22 VAL A 67 -13.170 -10.977 -2.559 1.00 0.92 H new ATOM 0 HG23 VAL A 67 -12.810 -9.286 -2.977 1.00 0.92 H new ATOM 984 N GLY A 68 -10.803 -12.202 0.077 1.00 0.50 N ATOM 985 CA GLY A 68 -11.419 -13.138 0.995 1.00 0.53 C ATOM 986 C GLY A 68 -11.097 -12.824 2.444 1.00 0.43 C ATOM 987 O GLY A 68 -11.279 -13.664 3.328 1.00 0.51 O ATOM 0 H GLY A 68 -9.809 -12.355 -0.090 1.00 0.50 H new ATOM 0 HA2 GLY A 68 -12.500 -13.123 0.854 1.00 0.53 H new ATOM 0 HA3 GLY A 68 -11.081 -14.148 0.761 1.00 0.53 H new ATOM 991 N ALA A 69 -10.617 -11.612 2.696 1.00 0.38 N ATOM 992 CA ALA A 69 -10.240 -11.213 4.043 1.00 0.32 C ATOM 993 C ALA A 69 -10.823 -9.849 4.405 1.00 0.29 C ATOM 994 O ALA A 69 -10.121 -8.974 4.914 1.00 0.31 O ATOM 995 CB ALA A 69 -8.725 -11.203 4.178 1.00 0.35 C ATOM 0 H ALA A 69 -10.481 -10.892 1.987 1.00 0.38 H new ATOM 0 HA ALA A 69 -10.653 -11.941 4.741 1.00 0.32 H new ATOM 0 HB1 ALA A 69 -8.452 -10.903 5.190 1.00 0.35 H new ATOM 0 HB2 ALA A 69 -8.335 -12.201 3.978 1.00 0.35 H new ATOM 0 HB3 ALA A 69 -8.301 -10.498 3.463 1.00 0.35 H new ATOM 1001 N ALA A 70 -12.118 -9.681 4.158 1.00 0.33 N ATOM 1002 CA ALA A 70 -12.807 -8.423 4.445 1.00 0.41 C ATOM 1003 C ALA A 70 -12.736 -8.073 5.928 1.00 0.50 C ATOM 1004 O ALA A 70 -12.658 -6.900 6.298 1.00 0.62 O ATOM 1005 CB ALA A 70 -14.259 -8.507 3.999 1.00 0.52 C ATOM 0 H ALA A 70 -12.716 -10.403 3.757 1.00 0.33 H new ATOM 0 HA ALA A 70 -12.303 -7.633 3.888 1.00 0.41 H new ATOM 0 HB1 ALA A 70 -14.762 -7.565 4.218 1.00 0.52 H new ATOM 0 HB2 ALA A 70 -14.300 -8.700 2.927 1.00 0.52 H new ATOM 0 HB3 ALA A 70 -14.757 -9.317 4.532 1.00 0.52 H new ATOM 1011 N ASP A 71 -12.736 -9.102 6.767 1.00 0.53 N ATOM 1012 CA ASP A 71 -12.741 -8.924 8.219 1.00 0.70 C ATOM 1013 C ASP A 71 -11.423 -8.344 8.718 1.00 0.64 C ATOM 1014 O ASP A 71 -11.339 -7.857 9.844 1.00 0.84 O ATOM 1015 CB ASP A 71 -13.009 -10.259 8.924 1.00 0.91 C ATOM 1016 CG ASP A 71 -11.889 -11.264 8.728 1.00 1.72 C ATOM 1017 OD1 ASP A 71 -11.917 -12.012 7.727 1.00 2.17 O1- ATOM 1018 OD2 ASP A 71 -10.968 -11.307 9.573 1.00 2.44 O ATOM 0 H ASP A 71 -12.733 -10.077 6.466 1.00 0.53 H new ATOM 0 HA ASP A 71 -13.539 -8.220 8.455 1.00 0.70 H new ATOM 0 HB2 ASP A 71 -13.148 -10.080 9.990 1.00 0.91 H new ATOM 0 HB3 ASP A 71 -13.940 -10.682 8.548 1.00 0.91 H new ATOM 1023 N THR A 72 -10.396 -8.389 7.882 1.00 0.48 N ATOM 1024 CA THR A 72 -9.086 -7.910 8.278 1.00 0.53 C ATOM 1025 C THR A 72 -8.499 -6.978 7.213 1.00 0.65 C ATOM 1026 O THR A 72 -7.412 -7.207 6.682 1.00 1.42 O ATOM 1027 CB THR A 72 -8.128 -9.087 8.599 1.00 0.64 C ATOM 1028 OG1 THR A 72 -6.795 -8.614 8.824 1.00 1.26 O ATOM 1029 CG2 THR A 72 -8.129 -10.122 7.487 1.00 1.46 C ATOM 0 H THR A 72 -10.447 -8.751 6.930 1.00 0.48 H new ATOM 0 HA THR A 72 -9.203 -7.331 9.194 1.00 0.53 H new ATOM 0 HB THR A 72 -8.492 -9.562 9.510 1.00 0.64 H new ATOM 0 HG1 THR A 72 -6.462 -8.176 8.013 1.00 1.26 H new ATOM 0 HG21 THR A 72 -7.447 -10.933 7.744 1.00 1.46 H new ATOM 0 HG22 THR A 72 -9.136 -10.520 7.362 1.00 1.46 H new ATOM 0 HG23 THR A 72 -7.805 -9.656 6.556 1.00 1.46 H new ATOM 1037 N ASP A 73 -9.264 -5.933 6.893 1.00 0.59 N ATOM 1038 CA ASP A 73 -8.817 -4.849 6.007 1.00 0.55 C ATOM 1039 C ASP A 73 -8.372 -5.360 4.636 1.00 0.43 C ATOM 1040 O ASP A 73 -7.525 -4.744 3.981 1.00 0.47 O ATOM 1041 CB ASP A 73 -7.685 -4.046 6.660 1.00 0.69 C ATOM 1042 CG ASP A 73 -8.120 -3.347 7.932 1.00 1.25 C ATOM 1043 OD1 ASP A 73 -8.728 -2.261 7.846 1.00 1.66 O ATOM 1044 OD2 ASP A 73 -7.854 -3.882 9.029 1.00 1.50 O1- ATOM 0 H ASP A 73 -10.215 -5.811 7.241 1.00 0.59 H new ATOM 0 HA ASP A 73 -9.677 -4.198 5.850 1.00 0.55 H new ATOM 0 HB2 ASP A 73 -6.854 -4.715 6.884 1.00 0.69 H new ATOM 0 HB3 ASP A 73 -7.316 -3.305 5.951 1.00 0.69 H new ATOM 1049 N TYR A 74 -8.950 -6.483 4.216 1.00 0.33 N ATOM 1050 CA TYR A 74 -8.673 -7.085 2.912 1.00 0.28 C ATOM 1051 C TYR A 74 -7.203 -7.468 2.754 1.00 0.35 C ATOM 1052 O TYR A 74 -6.613 -7.283 1.689 1.00 0.37 O ATOM 1053 CB TYR A 74 -9.111 -6.166 1.764 1.00 0.32 C ATOM 1054 CG TYR A 74 -10.609 -6.064 1.609 1.00 0.36 C ATOM 1055 CD1 TYR A 74 -11.378 -7.181 1.318 1.00 0.41 C ATOM 1056 CD2 TYR A 74 -11.253 -4.843 1.751 1.00 0.44 C ATOM 1057 CE1 TYR A 74 -12.750 -7.082 1.170 1.00 0.50 C ATOM 1058 CE2 TYR A 74 -12.621 -4.736 1.607 1.00 0.54 C ATOM 1059 CZ TYR A 74 -13.369 -5.892 1.330 1.00 0.57 C ATOM 1060 OH TYR A 74 -14.731 -5.753 1.172 1.00 0.68 O ATOM 0 H TYR A 74 -9.627 -7.004 4.773 1.00 0.33 H new ATOM 0 HA TYR A 74 -9.261 -8.001 2.864 1.00 0.28 H new ATOM 0 HB2 TYR A 74 -8.703 -5.169 1.932 1.00 0.32 H new ATOM 0 HB3 TYR A 74 -8.682 -6.533 0.832 1.00 0.32 H new ATOM 0 HD1 TYR A 74 -10.899 -8.142 1.205 1.00 0.41 H new ATOM 0 HD2 TYR A 74 -10.673 -3.961 1.978 1.00 0.44 H new ATOM 0 HE1 TYR A 74 -13.329 -7.960 0.925 1.00 0.50 H new ATOM 0 HE2 TYR A 74 -13.109 -3.778 1.706 1.00 0.54 H new ATOM 0 HH TYR A 74 -14.985 -4.820 1.330 1.00 0.68 H new ATOM 1070 N VAL A 75 -6.613 -7.987 3.824 1.00 0.45 N ATOM 1071 CA VAL A 75 -5.283 -8.586 3.760 1.00 0.57 C ATOM 1072 C VAL A 75 -5.227 -9.826 4.634 1.00 0.62 C ATOM 1073 O VAL A 75 -5.592 -9.787 5.808 1.00 0.66 O ATOM 1074 CB VAL A 75 -4.149 -7.621 4.186 1.00 0.72 C ATOM 1075 CG1 VAL A 75 -3.942 -6.539 3.140 1.00 1.12 C ATOM 1076 CG2 VAL A 75 -4.427 -7.006 5.551 1.00 1.38 C ATOM 0 H VAL A 75 -7.036 -8.006 4.752 1.00 0.45 H new ATOM 0 HA VAL A 75 -5.117 -8.839 2.713 1.00 0.57 H new ATOM 0 HB VAL A 75 -3.231 -8.203 4.265 1.00 0.72 H new ATOM 0 HG11 VAL A 75 -3.141 -5.872 3.460 1.00 1.12 H new ATOM 0 HG12 VAL A 75 -3.674 -6.999 2.189 1.00 1.12 H new ATOM 0 HG13 VAL A 75 -4.863 -5.968 3.020 1.00 1.12 H new ATOM 0 HG21 VAL A 75 -3.612 -6.334 5.820 1.00 1.38 H new ATOM 0 HG22 VAL A 75 -5.362 -6.446 5.514 1.00 1.38 H new ATOM 0 HG23 VAL A 75 -4.507 -7.797 6.297 1.00 1.38 H new ATOM 1156 N ARG A 81 3.270 -11.936 2.472 1.00 0.61 N ATOM 1157 CA ARG A 81 2.649 -11.210 1.370 1.00 0.73 C ATOM 1158 C ARG A 81 2.298 -9.788 1.779 1.00 0.72 C ATOM 1159 O ARG A 81 1.804 -9.002 0.974 1.00 0.96 O ATOM 1160 CB ARG A 81 1.394 -11.933 0.881 1.00 0.87 C ATOM 1161 CG ARG A 81 1.696 -13.108 -0.026 1.00 1.31 C ATOM 1162 CD ARG A 81 0.433 -13.716 -0.612 1.00 1.36 C ATOM 1163 NE ARG A 81 0.735 -14.476 -1.821 1.00 1.55 N ATOM 1164 CZ ARG A 81 -0.080 -15.357 -2.391 1.00 1.73 C ATOM 1165 NH1 ARG A 81 -1.267 -15.629 -1.867 1.00 1.75 N1+ ATOM 1166 NH2 ARG A 81 0.297 -15.963 -3.508 1.00 2.33 N ATOM 0 HA ARG A 81 3.372 -11.169 0.556 1.00 0.73 H new ATOM 0 HB2 ARG A 81 0.826 -12.284 1.743 1.00 0.87 H new ATOM 0 HB3 ARG A 81 0.759 -11.225 0.348 1.00 0.87 H new ATOM 0 HG2 ARG A 81 2.350 -12.783 -0.835 1.00 1.31 H new ATOM 0 HG3 ARG A 81 2.238 -13.869 0.535 1.00 1.31 H new ATOM 0 HD2 ARG A 81 -0.038 -14.368 0.124 1.00 1.36 H new ATOM 0 HD3 ARG A 81 -0.283 -12.927 -0.843 1.00 1.36 H new ATOM 0 HE ARG A 81 1.641 -14.319 -2.262 1.00 1.55 H new ATOM 0 HH11 ARG A 81 -1.567 -15.159 -1.013 1.00 1.75 H new ATOM 0 HH12 ARG A 81 -1.880 -16.308 -2.318 1.00 1.75 H new ATOM 0 HH21 ARG A 81 1.205 -15.751 -3.922 1.00 2.33 H new ATOM 0 HH22 ARG A 81 -0.321 -16.641 -3.954 1.00 2.33 H new ATOM 1180 N VAL A 82 2.553 -9.460 3.034 1.00 0.60 N ATOM 1181 CA VAL A 82 2.236 -8.145 3.553 1.00 0.62 C ATOM 1182 C VAL A 82 3.442 -7.557 4.275 1.00 0.58 C ATOM 1183 O VAL A 82 3.561 -7.672 5.496 1.00 0.74 O ATOM 1184 CB VAL A 82 1.032 -8.192 4.523 1.00 0.69 C ATOM 1185 CG1 VAL A 82 0.636 -6.790 4.959 1.00 0.77 C ATOM 1186 CG2 VAL A 82 -0.153 -8.907 3.888 1.00 0.78 C ATOM 0 H VAL A 82 2.980 -10.090 3.713 1.00 0.60 H new ATOM 0 HA VAL A 82 1.971 -7.514 2.704 1.00 0.62 H new ATOM 0 HB VAL A 82 1.335 -8.755 5.406 1.00 0.69 H new ATOM 0 HG11 VAL A 82 -0.213 -6.847 5.641 1.00 0.77 H new ATOM 0 HG12 VAL A 82 1.477 -6.315 5.465 1.00 0.77 H new ATOM 0 HG13 VAL A 82 0.360 -6.201 4.084 1.00 0.77 H new ATOM 0 HG21 VAL A 82 -0.986 -8.926 4.591 1.00 0.78 H new ATOM 0 HG22 VAL A 82 -0.454 -8.379 2.983 1.00 0.78 H new ATOM 0 HG23 VAL A 82 0.131 -9.928 3.635 1.00 0.78 H new ATOM 1196 N VAL A 83 4.339 -6.938 3.515 1.00 0.42 N ATOM 1197 CA VAL A 83 5.514 -6.293 4.094 1.00 0.42 C ATOM 1198 C VAL A 83 5.076 -5.165 5.021 1.00 0.38 C ATOM 1199 O VAL A 83 5.645 -4.956 6.096 1.00 0.43 O ATOM 1200 CB VAL A 83 6.451 -5.737 2.996 1.00 0.47 C ATOM 1201 CG1 VAL A 83 7.617 -4.974 3.605 1.00 0.65 C ATOM 1202 CG2 VAL A 83 6.965 -6.860 2.111 1.00 0.91 C ATOM 0 H VAL A 83 4.276 -6.869 2.499 1.00 0.42 H new ATOM 0 HA VAL A 83 6.067 -7.041 4.661 1.00 0.42 H new ATOM 0 HB VAL A 83 5.872 -5.045 2.384 1.00 0.47 H new ATOM 0 HG11 VAL A 83 8.259 -4.595 2.810 1.00 0.65 H new ATOM 0 HG12 VAL A 83 7.238 -4.139 4.194 1.00 0.65 H new ATOM 0 HG13 VAL A 83 8.192 -5.640 4.248 1.00 0.65 H new ATOM 0 HG21 VAL A 83 7.622 -6.448 1.345 1.00 0.91 H new ATOM 0 HG22 VAL A 83 7.519 -7.577 2.717 1.00 0.91 H new ATOM 0 HG23 VAL A 83 6.123 -7.362 1.635 1.00 0.91 H new ATOM 1212 N ALA A 84 4.046 -4.457 4.588 1.00 0.35 N ATOM 1213 CA ALA A 84 3.443 -3.395 5.368 1.00 0.34 C ATOM 1214 C ALA A 84 2.067 -3.078 4.804 1.00 0.31 C ATOM 1215 O ALA A 84 1.831 -3.270 3.607 1.00 0.31 O ATOM 1216 CB ALA A 84 4.324 -2.159 5.361 1.00 0.36 C ATOM 0 H ALA A 84 3.604 -4.605 3.681 1.00 0.35 H new ATOM 0 HA ALA A 84 3.339 -3.723 6.402 1.00 0.34 H new ATOM 0 HB1 ALA A 84 3.853 -1.373 5.952 1.00 0.36 H new ATOM 0 HB2 ALA A 84 5.296 -2.403 5.790 1.00 0.36 H new ATOM 0 HB3 ALA A 84 4.456 -1.812 4.336 1.00 0.36 H new ATOM 1222 N HIS A 85 1.160 -2.612 5.650 1.00 0.30 N ATOM 1223 CA HIS A 85 -0.204 -2.351 5.215 1.00 0.28 C ATOM 1224 C HIS A 85 -0.895 -1.332 6.110 1.00 0.28 C ATOM 1225 O HIS A 85 -0.824 -1.418 7.335 1.00 0.36 O ATOM 1226 CB HIS A 85 -1.001 -3.657 5.213 1.00 0.31 C ATOM 1227 CG HIS A 85 -2.411 -3.519 4.729 1.00 0.78 C ATOM 1228 ND1 HIS A 85 -3.502 -3.782 5.522 1.00 0.86 N ATOM 1229 CD2 HIS A 85 -2.904 -3.176 3.517 1.00 1.53 C ATOM 1230 CE1 HIS A 85 -4.604 -3.614 4.822 1.00 1.53 C ATOM 1231 NE2 HIS A 85 -4.271 -3.247 3.600 1.00 1.96 N ATOM 0 H HIS A 85 1.341 -2.408 6.633 1.00 0.30 H new ATOM 0 HA HIS A 85 -0.161 -1.937 4.207 1.00 0.28 H new ATOM 0 HB2 HIS A 85 -0.484 -4.383 4.586 1.00 0.31 H new ATOM 0 HB3 HIS A 85 -1.015 -4.062 6.225 1.00 0.31 H new ATOM 0 HD1 HIS A 85 -3.464 -4.064 6.502 1.00 0.86 H new ATOM 0 HD2 HIS A 85 -2.328 -2.898 2.646 1.00 1.53 H new ATOM 0 HE1 HIS A 85 -5.611 -3.753 5.187 1.00 1.53 H new ATOM 1240 N THR A 86 -1.558 -0.372 5.484 1.00 0.25 N ATOM 1241 CA THR A 86 -2.401 0.570 6.197 1.00 0.27 C ATOM 1242 C THR A 86 -3.817 0.012 6.317 1.00 0.31 C ATOM 1243 O THR A 86 -4.291 -0.689 5.422 1.00 0.50 O ATOM 1244 CB THR A 86 -2.457 1.928 5.471 1.00 0.24 C ATOM 1245 OG1 THR A 86 -2.796 1.732 4.094 1.00 0.27 O ATOM 1246 CG2 THR A 86 -1.131 2.665 5.563 1.00 0.29 C ATOM 0 H THR A 86 -1.526 -0.226 4.475 1.00 0.25 H new ATOM 0 HA THR A 86 -1.972 0.719 7.188 1.00 0.27 H new ATOM 0 HB THR A 86 -3.220 2.534 5.960 1.00 0.24 H new ATOM 0 HG1 THR A 86 -2.389 2.440 3.553 1.00 0.27 H new ATOM 0 HG21 THR A 86 -1.208 3.618 5.040 1.00 0.29 H new ATOM 0 HG22 THR A 86 -0.886 2.844 6.610 1.00 0.29 H new ATOM 0 HG23 THR A 86 -0.347 2.062 5.105 1.00 0.29 H new ATOM 1254 N LYS A 87 -4.477 0.306 7.427 1.00 0.29 N ATOM 1255 CA LYS A 87 -5.846 -0.150 7.656 1.00 0.32 C ATOM 1256 C LYS A 87 -6.812 0.552 6.706 1.00 0.29 C ATOM 1257 O LYS A 87 -6.536 1.659 6.239 1.00 0.35 O ATOM 1258 CB LYS A 87 -6.249 0.130 9.106 1.00 0.40 C ATOM 1259 CG LYS A 87 -5.289 -0.464 10.121 1.00 1.07 C ATOM 1260 CD LYS A 87 -5.621 -0.037 11.540 1.00 1.29 C ATOM 1261 CE LYS A 87 -6.976 -0.556 11.984 1.00 1.83 C ATOM 1262 NZ LYS A 87 -7.267 -0.208 13.399 1.00 2.85 N1+ ATOM 0 H LYS A 87 -4.087 0.861 8.189 1.00 0.29 H new ATOM 0 HA LYS A 87 -5.892 -1.223 7.467 1.00 0.32 H new ATOM 0 HB2 LYS A 87 -6.307 1.208 9.258 1.00 0.40 H new ATOM 0 HB3 LYS A 87 -7.247 -0.271 9.282 1.00 0.40 H new ATOM 0 HG2 LYS A 87 -5.319 -1.552 10.054 1.00 1.07 H new ATOM 0 HG3 LYS A 87 -4.271 -0.157 9.879 1.00 1.07 H new ATOM 0 HD2 LYS A 87 -4.851 -0.404 12.219 1.00 1.29 H new ATOM 0 HD3 LYS A 87 -5.610 1.051 11.604 1.00 1.29 H new ATOM 0 HE2 LYS A 87 -7.752 -0.141 11.341 1.00 1.83 H new ATOM 0 HE3 LYS A 87 -7.007 -1.639 11.863 1.00 1.83 H new ATOM 0 HZ1 LYS A 87 -8.201 -0.581 13.663 1.00 2.85 H new ATOM 0 HZ2 LYS A 87 -6.541 -0.626 14.016 1.00 2.85 H new ATOM 0 HZ3 LYS A 87 -7.263 0.826 13.510 1.00 2.85 H new ATOM 1276 N LEU A 88 -7.940 -0.102 6.425 1.00 0.30 N ATOM 1277 CA LEU A 88 -8.971 0.469 5.563 1.00 0.37 C ATOM 1278 C LEU A 88 -9.500 1.754 6.165 1.00 0.36 C ATOM 1279 O LEU A 88 -10.114 1.740 7.232 1.00 0.50 O ATOM 1280 CB LEU A 88 -10.140 -0.502 5.369 1.00 0.52 C ATOM 1281 CG LEU A 88 -9.911 -1.657 4.393 1.00 0.56 C ATOM 1282 CD1 LEU A 88 -11.147 -2.544 4.347 1.00 1.24 C ATOM 1283 CD2 LEU A 88 -9.587 -1.131 3.001 1.00 0.92 C ATOM 0 H LEU A 88 -8.161 -1.031 6.784 1.00 0.30 H new ATOM 0 HA LEU A 88 -8.514 0.667 4.594 1.00 0.37 H new ATOM 0 HB2 LEU A 88 -10.400 -0.922 6.341 1.00 0.52 H new ATOM 0 HB3 LEU A 88 -11.004 0.068 5.027 1.00 0.52 H new ATOM 0 HG LEU A 88 -9.061 -2.245 4.740 1.00 0.56 H new ATOM 0 HD11 LEU A 88 -10.980 -3.366 3.650 1.00 1.24 H new ATOM 0 HD12 LEU A 88 -11.344 -2.945 5.341 1.00 1.24 H new ATOM 0 HD13 LEU A 88 -12.004 -1.957 4.016 1.00 1.24 H new ATOM 0 HD21 LEU A 88 -9.428 -1.970 2.323 1.00 0.92 H new ATOM 0 HD22 LEU A 88 -10.417 -0.524 2.639 1.00 0.92 H new ATOM 0 HD23 LEU A 88 -8.684 -0.522 3.043 1.00 0.92 H new ATOM 1295 N ILE A 89 -9.261 2.856 5.487 1.00 0.31 N ATOM 1296 CA ILE A 89 -9.683 4.152 5.984 1.00 0.31 C ATOM 1297 C ILE A 89 -10.831 4.711 5.159 1.00 0.33 C ATOM 1298 O ILE A 89 -10.823 4.647 3.926 1.00 0.35 O ATOM 1299 CB ILE A 89 -8.510 5.152 6.017 1.00 0.27 C ATOM 1300 CG1 ILE A 89 -7.762 5.170 4.677 1.00 0.23 C ATOM 1301 CG2 ILE A 89 -7.567 4.801 7.158 1.00 0.28 C ATOM 1302 CD1 ILE A 89 -6.600 6.140 4.646 1.00 0.21 C ATOM 0 H ILE A 89 -8.777 2.883 4.590 1.00 0.31 H new ATOM 0 HA ILE A 89 -10.034 4.007 7.006 1.00 0.31 H new ATOM 0 HB ILE A 89 -8.909 6.152 6.184 1.00 0.27 H new ATOM 0 HG12 ILE A 89 -7.393 4.167 4.462 1.00 0.23 H new ATOM 0 HG13 ILE A 89 -8.462 5.429 3.883 1.00 0.23 H new ATOM 0 HG21 ILE A 89 -6.740 5.510 7.177 1.00 0.28 H new ATOM 0 HG22 ILE A 89 -8.107 4.847 8.104 1.00 0.28 H new ATOM 0 HG23 ILE A 89 -7.178 3.793 7.011 1.00 0.28 H new ATOM 0 HD11 ILE A 89 -6.118 6.099 3.669 1.00 0.21 H new ATOM 0 HD12 ILE A 89 -6.965 7.151 4.829 1.00 0.21 H new ATOM 0 HD13 ILE A 89 -5.879 5.869 5.418 1.00 0.21 H new ATOM 1314 N GLY A 90 -11.828 5.231 5.863 1.00 0.34 N ATOM 1315 CA GLY A 90 -13.008 5.769 5.223 1.00 0.37 C ATOM 1316 C GLY A 90 -12.981 7.279 5.113 1.00 0.51 C ATOM 1317 O GLY A 90 -11.939 7.872 4.825 1.00 0.79 O ATOM 0 H GLY A 90 -11.837 5.289 6.881 1.00 0.34 H new ATOM 0 HA2 GLY A 90 -13.103 5.339 4.226 1.00 0.37 H new ATOM 0 HA3 GLY A 90 -13.891 5.466 5.786 1.00 0.37 H new ATOM 1321 N GLY A 91 -14.128 7.899 5.356 1.00 0.60 N ATOM 1322 CA GLY A 91 -14.264 9.328 5.172 1.00 0.81 C ATOM 1323 C GLY A 91 -13.489 10.139 6.193 1.00 0.57 C ATOM 1324 O GLY A 91 -13.832 10.144 7.376 1.00 0.70 O ATOM 0 H GLY A 91 -14.974 7.431 5.681 1.00 0.60 H new ATOM 0 HA2 GLY A 91 -13.922 9.593 4.172 1.00 0.81 H new ATOM 0 HA3 GLY A 91 -15.319 9.596 5.230 1.00 0.81 H new ATOM 1328 N GLY A 92 -12.436 10.812 5.739 1.00 0.54 N ATOM 1329 CA GLY A 92 -11.687 11.697 6.610 1.00 0.56 C ATOM 1330 C GLY A 92 -10.773 10.952 7.557 1.00 0.52 C ATOM 1331 O GLY A 92 -10.492 11.424 8.661 1.00 0.80 O ATOM 0 H GLY A 92 -12.088 10.759 4.782 1.00 0.54 H new ATOM 0 HA2 GLY A 92 -11.094 12.381 6.003 1.00 0.56 H new ATOM 0 HA3 GLY A 92 -12.383 12.306 7.187 1.00 0.56 H new ATOM 1335 N GLU A 93 -10.312 9.784 7.142 1.00 0.34 N ATOM 1336 CA GLU A 93 -9.419 8.996 7.973 1.00 0.27 C ATOM 1337 C GLU A 93 -8.043 8.891 7.337 1.00 0.23 C ATOM 1338 O GLU A 93 -7.878 9.126 6.135 1.00 0.29 O ATOM 1339 CB GLU A 93 -9.990 7.600 8.220 1.00 0.30 C ATOM 1340 CG GLU A 93 -11.293 7.594 9.007 1.00 0.38 C ATOM 1341 CD GLU A 93 -11.711 6.197 9.415 1.00 1.32 C ATOM 1342 OE1 GLU A 93 -11.727 5.296 8.550 1.00 2.34 O1- ATOM 1343 OE2 GLU A 93 -12.012 5.988 10.608 1.00 1.33 O ATOM 0 H GLU A 93 -10.539 9.363 6.241 1.00 0.34 H new ATOM 0 HA GLU A 93 -9.323 9.505 8.932 1.00 0.27 H new ATOM 0 HB2 GLU A 93 -10.155 7.111 7.260 1.00 0.30 H new ATOM 0 HB3 GLU A 93 -9.250 7.006 8.757 1.00 0.30 H new ATOM 0 HG2 GLU A 93 -11.180 8.212 9.898 1.00 0.38 H new ATOM 0 HG3 GLU A 93 -12.081 8.045 8.404 1.00 0.38 H new ATOM 1350 N GLU A 94 -7.062 8.544 8.155 1.00 0.21 N ATOM 1351 CA GLU A 94 -5.688 8.399 7.702 1.00 0.21 C ATOM 1352 C GLU A 94 -5.025 7.234 8.427 1.00 0.22 C ATOM 1353 O GLU A 94 -5.414 6.890 9.543 1.00 0.28 O ATOM 1354 CB GLU A 94 -4.896 9.686 7.963 1.00 0.25 C ATOM 1355 CG GLU A 94 -4.844 10.082 9.428 1.00 0.83 C ATOM 1356 CD GLU A 94 -3.866 11.202 9.691 1.00 1.27 C ATOM 1357 OE1 GLU A 94 -4.226 12.376 9.476 1.00 1.67 O1- ATOM 1358 OE2 GLU A 94 -2.726 10.907 10.114 1.00 1.86 O ATOM 0 H GLU A 94 -7.195 8.355 9.149 1.00 0.21 H new ATOM 0 HA GLU A 94 -5.695 8.204 6.630 1.00 0.21 H new ATOM 0 HB2 GLU A 94 -3.879 9.558 7.594 1.00 0.25 H new ATOM 0 HB3 GLU A 94 -5.342 10.500 7.391 1.00 0.25 H new ATOM 0 HG2 GLU A 94 -5.838 10.388 9.753 1.00 0.83 H new ATOM 0 HG3 GLU A 94 -4.566 9.214 10.026 1.00 0.83 H new ATOM 1365 N SER A 95 -4.037 6.629 7.794 1.00 0.22 N ATOM 1366 CA SER A 95 -3.300 5.537 8.407 1.00 0.27 C ATOM 1367 C SER A 95 -1.859 5.526 7.915 1.00 0.23 C ATOM 1368 O SER A 95 -1.565 6.010 6.823 1.00 0.29 O ATOM 1369 CB SER A 95 -3.990 4.201 8.107 1.00 0.37 C ATOM 1370 OG SER A 95 -4.286 4.073 6.725 1.00 1.35 O ATOM 0 H SER A 95 -3.725 6.875 6.854 1.00 0.22 H new ATOM 0 HA SER A 95 -3.288 5.683 9.487 1.00 0.27 H new ATOM 0 HB2 SER A 95 -3.347 3.379 8.421 1.00 0.37 H new ATOM 0 HB3 SER A 95 -4.910 4.126 8.687 1.00 0.37 H new ATOM 0 HG SER A 95 -4.995 3.407 6.603 1.00 1.35 H new ATOM 1376 N SER A 96 -0.960 4.993 8.727 1.00 0.28 N ATOM 1377 CA SER A 96 0.443 4.920 8.366 1.00 0.25 C ATOM 1378 C SER A 96 0.975 3.504 8.547 1.00 0.27 C ATOM 1379 O SER A 96 0.389 2.694 9.268 1.00 0.35 O ATOM 1380 CB SER A 96 1.264 5.897 9.217 1.00 0.29 C ATOM 1381 OG SER A 96 0.848 7.239 9.012 1.00 1.00 O ATOM 0 H SER A 96 -1.180 4.604 9.644 1.00 0.28 H new ATOM 0 HA SER A 96 0.537 5.196 7.316 1.00 0.25 H new ATOM 0 HB2 SER A 96 1.160 5.639 10.271 1.00 0.29 H new ATOM 0 HB3 SER A 96 2.321 5.800 8.968 1.00 0.29 H new ATOM 0 HG SER A 96 1.465 7.682 8.393 1.00 1.00 H new ATOM 1387 N LEU A 97 2.069 3.214 7.864 1.00 0.22 N ATOM 1388 CA LEU A 97 2.762 1.947 8.013 1.00 0.25 C ATOM 1389 C LEU A 97 4.263 2.186 8.035 1.00 0.24 C ATOM 1390 O LEU A 97 4.733 3.239 7.603 1.00 0.21 O ATOM 1391 CB LEU A 97 2.378 0.976 6.878 1.00 0.26 C ATOM 1392 CG LEU A 97 2.630 1.472 5.437 1.00 0.23 C ATOM 1393 CD1 LEU A 97 4.105 1.390 5.058 1.00 0.23 C ATOM 1394 CD2 LEU A 97 1.804 0.670 4.444 1.00 0.25 C ATOM 0 H LEU A 97 2.501 3.849 7.192 1.00 0.22 H new ATOM 0 HA LEU A 97 2.463 1.489 8.956 1.00 0.25 H new ATOM 0 HB2 LEU A 97 2.930 0.047 7.021 1.00 0.26 H new ATOM 0 HB3 LEU A 97 1.319 0.736 6.977 1.00 0.26 H new ATOM 0 HG LEU A 97 2.328 2.519 5.401 1.00 0.23 H new ATOM 0 HD11 LEU A 97 4.239 1.748 4.037 1.00 0.23 H new ATOM 0 HD12 LEU A 97 4.691 2.008 5.739 1.00 0.23 H new ATOM 0 HD13 LEU A 97 4.441 0.355 5.127 1.00 0.23 H new ATOM 0 HD21 LEU A 97 1.995 1.034 3.434 1.00 0.25 H new ATOM 0 HD22 LEU A 97 2.079 -0.383 4.508 1.00 0.25 H new ATOM 0 HD23 LEU A 97 0.745 0.783 4.676 1.00 0.25 H new ATOM 1406 N THR A 98 5.004 1.219 8.536 1.00 0.31 N ATOM 1407 CA THR A 98 6.453 1.280 8.519 1.00 0.31 C ATOM 1408 C THR A 98 7.007 -0.066 8.071 1.00 0.32 C ATOM 1409 O THR A 98 6.579 -1.110 8.559 1.00 0.41 O ATOM 1410 CB THR A 98 7.017 1.649 9.906 1.00 0.37 C ATOM 1411 OG1 THR A 98 6.408 2.863 10.378 1.00 1.14 O ATOM 1412 CG2 THR A 98 8.527 1.830 9.852 1.00 0.79 C ATOM 0 H THR A 98 4.624 0.375 8.963 1.00 0.31 H new ATOM 0 HA THR A 98 6.759 2.058 7.820 1.00 0.31 H new ATOM 0 HB THR A 98 6.788 0.832 10.590 1.00 0.37 H new ATOM 0 HG1 THR A 98 6.771 3.090 11.260 1.00 1.14 H new ATOM 0 HG21 THR A 98 8.898 2.090 10.843 1.00 0.79 H new ATOM 0 HG22 THR A 98 8.993 0.902 9.522 1.00 0.79 H new ATOM 0 HG23 THR A 98 8.773 2.628 9.152 1.00 0.79 H new ATOM 1420 N LEU A 99 7.935 -0.045 7.129 1.00 0.30 N ATOM 1421 CA LEU A 99 8.457 -1.275 6.553 1.00 0.34 C ATOM 1422 C LEU A 99 9.978 -1.290 6.570 1.00 0.32 C ATOM 1423 O LEU A 99 10.621 -0.240 6.660 1.00 0.29 O ATOM 1424 CB LEU A 99 7.939 -1.437 5.117 1.00 0.37 C ATOM 1425 CG LEU A 99 8.375 -0.353 4.123 1.00 0.37 C ATOM 1426 CD1 LEU A 99 9.622 -0.781 3.361 1.00 0.42 C ATOM 1427 CD2 LEU A 99 7.250 -0.038 3.154 1.00 0.49 C ATOM 0 H LEU A 99 8.343 0.808 6.747 1.00 0.30 H new ATOM 0 HA LEU A 99 8.109 -2.112 7.159 1.00 0.34 H new ATOM 0 HB2 LEU A 99 8.270 -2.404 4.739 1.00 0.37 H new ATOM 0 HB3 LEU A 99 6.850 -1.461 5.144 1.00 0.37 H new ATOM 0 HG LEU A 99 8.613 0.547 4.689 1.00 0.37 H new ATOM 0 HD11 LEU A 99 9.910 0.005 2.663 1.00 0.42 H new ATOM 0 HD12 LEU A 99 10.436 -0.957 4.065 1.00 0.42 H new ATOM 0 HD13 LEU A 99 9.414 -1.698 2.809 1.00 0.42 H new ATOM 0 HD21 LEU A 99 7.576 0.733 2.456 1.00 0.49 H new ATOM 0 HD22 LEU A 99 6.983 -0.939 2.601 1.00 0.49 H new ATOM 0 HD23 LEU A 99 6.382 0.318 3.708 1.00 0.49 H new ATOM 1439 N ASP A 100 10.541 -2.489 6.487 1.00 0.38 N ATOM 1440 CA ASP A 100 11.983 -2.660 6.399 1.00 0.40 C ATOM 1441 C ASP A 100 12.401 -2.785 4.934 1.00 0.38 C ATOM 1442 O ASP A 100 12.092 -3.783 4.278 1.00 0.42 O ATOM 1443 CB ASP A 100 12.433 -3.896 7.186 1.00 0.50 C ATOM 1444 CG ASP A 100 12.527 -3.646 8.681 1.00 1.26 C ATOM 1445 OD1 ASP A 100 11.470 -3.447 9.317 1.00 1.72 O ATOM 1446 OD2 ASP A 100 13.652 -3.638 9.229 1.00 2.08 O1- ATOM 0 H ASP A 100 10.015 -3.363 6.479 1.00 0.38 H new ATOM 0 HA ASP A 100 12.465 -1.785 6.836 1.00 0.40 H new ATOM 0 HB2 ASP A 100 11.733 -4.711 7.003 1.00 0.50 H new ATOM 0 HB3 ASP A 100 13.405 -4.221 6.816 1.00 0.50 H new ATOM 1451 N PRO A 101 13.115 -1.776 4.403 1.00 0.38 N ATOM 1452 CA PRO A 101 13.461 -1.704 2.974 1.00 0.41 C ATOM 1453 C PRO A 101 14.370 -2.835 2.514 1.00 0.39 C ATOM 1454 O PRO A 101 14.441 -3.137 1.321 1.00 0.43 O ATOM 1455 CB PRO A 101 14.181 -0.361 2.840 1.00 0.46 C ATOM 1456 CG PRO A 101 14.654 -0.036 4.210 1.00 0.53 C ATOM 1457 CD PRO A 101 13.641 -0.622 5.151 1.00 0.43 C ATOM 0 HA PRO A 101 12.570 -1.796 2.353 1.00 0.41 H new ATOM 0 HB2 PRO A 101 15.015 -0.429 2.141 1.00 0.46 H new ATOM 0 HB3 PRO A 101 13.510 0.410 2.462 1.00 0.46 H new ATOM 0 HG2 PRO A 101 15.643 -0.457 4.391 1.00 0.53 H new ATOM 0 HG3 PRO A 101 14.736 1.042 4.348 1.00 0.53 H new ATOM 0 HD2 PRO A 101 14.096 -0.927 6.094 1.00 0.43 H new ATOM 0 HD3 PRO A 101 12.855 0.093 5.393 1.00 0.43 H new ATOM 1465 N ALA A 102 15.048 -3.470 3.459 1.00 0.42 N ATOM 1466 CA ALA A 102 15.942 -4.579 3.156 1.00 0.48 C ATOM 1467 C ALA A 102 15.178 -5.741 2.527 1.00 0.46 C ATOM 1468 O ALA A 102 15.754 -6.579 1.838 1.00 0.49 O ATOM 1469 CB ALA A 102 16.653 -5.034 4.419 1.00 0.62 C ATOM 0 H ALA A 102 14.995 -3.234 4.450 1.00 0.42 H new ATOM 0 HA ALA A 102 16.684 -4.235 2.436 1.00 0.48 H new ATOM 0 HB1 ALA A 102 17.319 -5.864 4.183 1.00 0.62 H new ATOM 0 HB2 ALA A 102 17.234 -4.207 4.828 1.00 0.62 H new ATOM 0 HB3 ALA A 102 15.917 -5.358 5.154 1.00 0.62 H new ATOM 1475 N LYS A 103 13.870 -5.772 2.754 1.00 0.47 N ATOM 1476 CA LYS A 103 13.025 -6.826 2.215 1.00 0.52 C ATOM 1477 C LYS A 103 12.668 -6.537 0.760 1.00 0.52 C ATOM 1478 O LYS A 103 12.363 -7.447 -0.008 1.00 0.69 O ATOM 1479 CB LYS A 103 11.762 -6.969 3.069 1.00 0.60 C ATOM 1480 CG LYS A 103 12.059 -7.393 4.498 1.00 1.28 C ATOM 1481 CD LYS A 103 10.835 -7.298 5.394 1.00 1.53 C ATOM 1482 CE LYS A 103 9.730 -8.249 4.962 1.00 2.13 C ATOM 1483 NZ LYS A 103 8.636 -8.301 5.967 1.00 2.92 N1+ ATOM 0 H LYS A 103 13.372 -5.076 3.310 1.00 0.47 H new ATOM 0 HA LYS A 103 13.573 -7.768 2.244 1.00 0.52 H new ATOM 0 HB2 LYS A 103 11.228 -6.019 3.081 1.00 0.60 H new ATOM 0 HB3 LYS A 103 11.099 -7.701 2.608 1.00 0.60 H new ATOM 0 HG2 LYS A 103 12.430 -8.418 4.501 1.00 1.28 H new ATOM 0 HG3 LYS A 103 12.853 -6.766 4.903 1.00 1.28 H new ATOM 0 HD2 LYS A 103 11.122 -7.520 6.422 1.00 1.53 H new ATOM 0 HD3 LYS A 103 10.457 -6.276 5.382 1.00 1.53 H new ATOM 0 HE2 LYS A 103 9.328 -7.929 4.001 1.00 2.13 H new ATOM 0 HE3 LYS A 103 10.143 -9.248 4.819 1.00 2.13 H new ATOM 0 HZ1 LYS A 103 7.898 -8.958 5.643 1.00 2.92 H new ATOM 0 HZ2 LYS A 103 9.016 -8.629 6.878 1.00 2.92 H new ATOM 0 HZ3 LYS A 103 8.227 -7.352 6.085 1.00 2.92 H new ATOM 1497 N LEU A 104 12.747 -5.268 0.375 1.00 0.43 N ATOM 1498 CA LEU A 104 12.432 -4.861 -0.991 1.00 0.44 C ATOM 1499 C LEU A 104 13.633 -5.076 -1.896 1.00 0.47 C ATOM 1500 O LEU A 104 13.537 -4.959 -3.118 1.00 0.51 O ATOM 1501 CB LEU A 104 12.004 -3.388 -1.046 1.00 0.43 C ATOM 1502 CG LEU A 104 10.528 -3.098 -0.724 1.00 0.70 C ATOM 1503 CD1 LEU A 104 10.146 -3.604 0.659 1.00 1.22 C ATOM 1504 CD2 LEU A 104 10.252 -1.607 -0.832 1.00 1.30 C ATOM 0 H LEU A 104 13.026 -4.503 0.989 1.00 0.43 H new ATOM 0 HA LEU A 104 11.602 -5.476 -1.338 1.00 0.44 H new ATOM 0 HB2 LEU A 104 12.624 -2.825 -0.349 1.00 0.43 H new ATOM 0 HB3 LEU A 104 12.219 -3.006 -2.044 1.00 0.43 H new ATOM 0 HG LEU A 104 9.917 -3.631 -1.453 1.00 0.70 H new ATOM 0 HD11 LEU A 104 9.096 -3.381 0.851 1.00 1.22 H new ATOM 0 HD12 LEU A 104 10.303 -4.681 0.708 1.00 1.22 H new ATOM 0 HD13 LEU A 104 10.764 -3.112 1.410 1.00 1.22 H new ATOM 0 HD21 LEU A 104 9.204 -1.413 -0.602 1.00 1.30 H new ATOM 0 HD22 LEU A 104 10.884 -1.068 -0.126 1.00 1.30 H new ATOM 0 HD23 LEU A 104 10.469 -1.269 -1.845 1.00 1.30 H new ATOM 1516 N ALA A 105 14.761 -5.406 -1.285 1.00 0.55 N ATOM 1517 CA ALA A 105 15.996 -5.641 -2.019 1.00 0.63 C ATOM 1518 C ALA A 105 15.971 -7.001 -2.702 1.00 0.72 C ATOM 1519 O ALA A 105 16.866 -7.337 -3.476 1.00 1.08 O ATOM 1520 CB ALA A 105 17.192 -5.543 -1.083 1.00 0.73 C ATOM 0 H ALA A 105 14.847 -5.518 -0.275 1.00 0.55 H new ATOM 0 HA ALA A 105 16.087 -4.875 -2.789 1.00 0.63 H new ATOM 0 HB1 ALA A 105 18.109 -5.721 -1.645 1.00 0.73 H new ATOM 0 HB2 ALA A 105 17.226 -4.548 -0.639 1.00 0.73 H new ATOM 0 HB3 ALA A 105 17.099 -6.290 -0.294 1.00 0.73 H new ATOM 1526 N ASP A 106 14.929 -7.770 -2.420 1.00 0.69 N ATOM 1527 CA ASP A 106 14.806 -9.114 -2.965 1.00 0.81 C ATOM 1528 C ASP A 106 14.435 -9.084 -4.443 1.00 0.82 C ATOM 1529 O ASP A 106 14.832 -9.964 -5.206 1.00 1.27 O ATOM 1530 CB ASP A 106 13.768 -9.923 -2.185 1.00 1.07 C ATOM 1531 CG ASP A 106 13.670 -11.351 -2.684 1.00 1.45 C ATOM 1532 OD1 ASP A 106 14.584 -12.149 -2.386 1.00 1.96 O ATOM 1533 OD2 ASP A 106 12.680 -11.680 -3.372 1.00 2.04 O1- ATOM 0 H ASP A 106 14.157 -7.486 -1.817 1.00 0.69 H new ATOM 0 HA ASP A 106 15.779 -9.595 -2.866 1.00 0.81 H new ATOM 0 HB2 ASP A 106 14.031 -9.926 -1.127 1.00 1.07 H new ATOM 0 HB3 ASP A 106 12.794 -9.441 -2.270 1.00 1.07 H new ATOM 1538 N GLY A 107 13.690 -8.069 -4.857 1.00 0.61 N ATOM 1539 CA GLY A 107 13.263 -8.003 -6.238 1.00 0.74 C ATOM 1540 C GLY A 107 12.357 -6.827 -6.525 1.00 0.60 C ATOM 1541 O GLY A 107 12.484 -5.769 -5.905 1.00 0.52 O ATOM 0 H GLY A 107 13.377 -7.298 -4.268 1.00 0.61 H new ATOM 0 HA2 GLY A 107 14.141 -7.942 -6.881 1.00 0.74 H new ATOM 0 HA3 GLY A 107 12.743 -8.926 -6.495 1.00 0.74 H new ATOM 1545 N ASP A 108 11.434 -7.024 -7.456 1.00 0.64 N ATOM 1546 CA ASP A 108 10.535 -5.965 -7.896 1.00 0.59 C ATOM 1547 C ASP A 108 9.315 -5.906 -6.993 1.00 0.43 C ATOM 1548 O ASP A 108 8.549 -6.865 -6.906 1.00 0.38 O ATOM 1549 CB ASP A 108 10.096 -6.209 -9.341 1.00 0.73 C ATOM 1550 CG ASP A 108 9.436 -4.996 -9.966 1.00 1.22 C ATOM 1551 OD1 ASP A 108 8.199 -4.855 -9.830 1.00 2.02 O1- ATOM 1552 OD2 ASP A 108 10.140 -4.168 -10.584 1.00 1.56 O ATOM 0 H ASP A 108 11.287 -7.917 -7.926 1.00 0.64 H new ATOM 0 HA ASP A 108 11.066 -5.014 -7.842 1.00 0.59 H new ATOM 0 HB2 ASP A 108 10.964 -6.492 -9.937 1.00 0.73 H new ATOM 0 HB3 ASP A 108 9.402 -7.049 -9.368 1.00 0.73 H new ATOM 1557 N TYR A 109 9.168 -4.803 -6.285 1.00 0.39 N ATOM 1558 CA TYR A 109 8.045 -4.625 -5.379 1.00 0.32 C ATOM 1559 C TYR A 109 7.038 -3.620 -5.923 1.00 0.30 C ATOM 1560 O TYR A 109 7.393 -2.711 -6.678 1.00 0.35 O ATOM 1561 CB TYR A 109 8.549 -4.207 -3.998 1.00 0.35 C ATOM 1562 CG TYR A 109 8.991 -5.385 -3.165 1.00 0.31 C ATOM 1563 CD1 TYR A 109 10.089 -6.144 -3.538 1.00 0.37 C ATOM 1564 CD2 TYR A 109 8.329 -5.718 -1.991 1.00 0.39 C ATOM 1565 CE1 TYR A 109 10.517 -7.203 -2.765 1.00 0.39 C ATOM 1566 CE2 TYR A 109 8.747 -6.777 -1.215 1.00 0.39 C ATOM 1567 CZ TYR A 109 9.768 -7.586 -1.665 1.00 0.34 C ATOM 1568 OH TYR A 109 10.271 -8.572 -0.833 1.00 0.40 O ATOM 0 H TYR A 109 9.813 -4.013 -6.318 1.00 0.39 H new ATOM 0 HA TYR A 109 7.526 -5.579 -5.289 1.00 0.32 H new ATOM 0 HB2 TYR A 109 9.382 -3.514 -4.113 1.00 0.35 H new ATOM 0 HB3 TYR A 109 7.759 -3.671 -3.473 1.00 0.35 H new ATOM 0 HD1 TYR A 109 10.618 -5.902 -4.448 1.00 0.37 H new ATOM 0 HD2 TYR A 109 7.473 -5.138 -1.681 1.00 0.39 H new ATOM 0 HE1 TYR A 109 11.427 -7.728 -3.015 1.00 0.39 H new ATOM 0 HE2 TYR A 109 8.278 -6.972 -0.262 1.00 0.39 H new ATOM 0 HH TYR A 109 11.243 -8.471 -0.756 1.00 0.40 H new ATOM 1578 N LYS A 110 5.782 -3.789 -5.535 1.00 0.28 N ATOM 1579 CA LYS A 110 4.718 -2.883 -5.944 1.00 0.29 C ATOM 1580 C LYS A 110 3.802 -2.579 -4.771 1.00 0.22 C ATOM 1581 O LYS A 110 3.771 -3.321 -3.787 1.00 0.25 O ATOM 1582 CB LYS A 110 3.907 -3.489 -7.094 1.00 0.39 C ATOM 1583 CG LYS A 110 4.678 -3.561 -8.403 1.00 0.62 C ATOM 1584 CD LYS A 110 3.921 -4.338 -9.467 1.00 0.67 C ATOM 1585 CE LYS A 110 2.654 -3.622 -9.909 1.00 1.21 C ATOM 1586 NZ LYS A 110 1.982 -4.343 -11.023 1.00 1.53 N1+ ATOM 0 H LYS A 110 5.473 -4.552 -4.932 1.00 0.28 H new ATOM 0 HA LYS A 110 5.174 -1.955 -6.288 1.00 0.29 H new ATOM 0 HB2 LYS A 110 3.587 -4.492 -6.814 1.00 0.39 H new ATOM 0 HB3 LYS A 110 3.005 -2.897 -7.244 1.00 0.39 H new ATOM 0 HG2 LYS A 110 4.876 -2.551 -8.763 1.00 0.62 H new ATOM 0 HG3 LYS A 110 5.645 -4.033 -8.229 1.00 0.62 H new ATOM 0 HD2 LYS A 110 4.568 -4.494 -10.330 1.00 0.67 H new ATOM 0 HD3 LYS A 110 3.663 -5.324 -9.080 1.00 0.67 H new ATOM 0 HE2 LYS A 110 1.970 -3.536 -9.065 1.00 1.21 H new ATOM 0 HE3 LYS A 110 2.899 -2.608 -10.226 1.00 1.21 H new ATOM 0 HZ1 LYS A 110 1.122 -3.829 -11.301 1.00 1.53 H new ATOM 0 HZ2 LYS A 110 2.627 -4.403 -11.837 1.00 1.53 H new ATOM 0 HZ3 LYS A 110 1.727 -5.302 -10.712 1.00 1.53 H new ATOM 1600 N PHE A 111 3.069 -1.481 -4.875 1.00 0.20 N ATOM 1601 CA PHE A 111 2.091 -1.121 -3.864 1.00 0.19 C ATOM 1602 C PHE A 111 0.727 -0.989 -4.515 1.00 0.17 C ATOM 1603 O PHE A 111 0.632 -0.649 -5.699 1.00 0.21 O ATOM 1604 CB PHE A 111 2.472 0.184 -3.142 1.00 0.22 C ATOM 1605 CG PHE A 111 2.318 1.436 -3.968 1.00 0.20 C ATOM 1606 CD1 PHE A 111 3.352 1.887 -4.770 1.00 0.19 C ATOM 1607 CD2 PHE A 111 1.136 2.164 -3.932 1.00 0.22 C ATOM 1608 CE1 PHE A 111 3.212 3.038 -5.521 1.00 0.20 C ATOM 1609 CE2 PHE A 111 0.992 3.317 -4.681 1.00 0.23 C ATOM 1610 CZ PHE A 111 2.030 3.754 -5.476 1.00 0.21 C ATOM 0 H PHE A 111 3.134 -0.823 -5.652 1.00 0.20 H new ATOM 0 HA PHE A 111 2.066 -1.909 -3.111 1.00 0.19 H new ATOM 0 HB2 PHE A 111 1.858 0.279 -2.247 1.00 0.22 H new ATOM 0 HB3 PHE A 111 3.508 0.110 -2.811 1.00 0.22 H new ATOM 0 HD1 PHE A 111 4.278 1.333 -4.809 1.00 0.19 H new ATOM 0 HD2 PHE A 111 0.319 1.825 -3.311 1.00 0.22 H new ATOM 0 HE1 PHE A 111 4.026 3.379 -6.144 1.00 0.20 H new ATOM 0 HE2 PHE A 111 0.068 3.875 -4.643 1.00 0.23 H new ATOM 0 HZ PHE A 111 1.920 4.654 -6.063 1.00 0.21 H new ATOM 1620 N ALA A 112 -0.322 -1.269 -3.760 1.00 0.14 N ATOM 1621 CA ALA A 112 -1.669 -1.213 -4.298 1.00 0.15 C ATOM 1622 C ALA A 112 -2.714 -1.224 -3.196 1.00 0.15 C ATOM 1623 O ALA A 112 -2.418 -1.538 -2.040 1.00 0.17 O ATOM 1624 CB ALA A 112 -1.904 -2.385 -5.239 1.00 0.19 C ATOM 0 H ALA A 112 -0.267 -1.536 -2.777 1.00 0.14 H new ATOM 0 HA ALA A 112 -1.767 -0.276 -4.846 1.00 0.15 H new ATOM 0 HB1 ALA A 112 -2.917 -2.334 -5.637 1.00 0.19 H new ATOM 0 HB2 ALA A 112 -1.189 -2.341 -6.060 1.00 0.19 H new ATOM 0 HB3 ALA A 112 -1.775 -3.320 -4.694 1.00 0.19 H new ATOM 1630 N CYS A 113 -3.930 -0.865 -3.575 1.00 0.15 N ATOM 1631 CA CYS A 113 -5.087 -0.957 -2.696 1.00 0.14 C ATOM 1632 C CYS A 113 -5.762 -2.304 -2.930 1.00 0.14 C ATOM 1633 O CYS A 113 -6.155 -2.614 -4.051 1.00 0.16 O ATOM 1634 CB CYS A 113 -6.057 0.195 -2.999 1.00 0.14 C ATOM 1635 SG CYS A 113 -7.453 0.356 -1.860 1.00 0.13 S ATOM 0 H CYS A 113 -4.144 -0.500 -4.503 1.00 0.15 H new ATOM 0 HA CYS A 113 -4.781 -0.880 -1.653 1.00 0.14 H new ATOM 0 HB2 CYS A 113 -5.497 1.130 -2.994 1.00 0.14 H new ATOM 0 HB3 CYS A 113 -6.447 0.063 -4.008 1.00 0.14 H new ATOM 0 HG CYS A 113 -8.533 0.623 -2.532 1.00 0.13 H new ATOM 1640 N THR A 114 -5.880 -3.113 -1.887 1.00 0.15 N ATOM 1641 CA THR A 114 -6.387 -4.473 -2.042 1.00 0.17 C ATOM 1642 C THR A 114 -7.907 -4.536 -1.917 1.00 0.16 C ATOM 1643 O THR A 114 -8.482 -5.613 -1.740 1.00 0.21 O ATOM 1644 CB THR A 114 -5.745 -5.440 -1.025 1.00 0.21 C ATOM 1645 OG1 THR A 114 -5.943 -4.967 0.316 1.00 0.22 O ATOM 1646 CG2 THR A 114 -4.257 -5.594 -1.292 1.00 0.24 C ATOM 0 H THR A 114 -5.634 -2.856 -0.931 1.00 0.15 H new ATOM 0 HA THR A 114 -6.111 -4.787 -3.049 1.00 0.17 H new ATOM 0 HB THR A 114 -6.228 -6.411 -1.138 1.00 0.21 H new ATOM 0 HG1 THR A 114 -6.189 -5.718 0.895 1.00 0.22 H new ATOM 0 HG21 THR A 114 -3.826 -6.280 -0.563 1.00 0.24 H new ATOM 0 HG22 THR A 114 -4.107 -5.990 -2.296 1.00 0.24 H new ATOM 0 HG23 THR A 114 -3.770 -4.622 -1.208 1.00 0.24 H new ATOM 1654 N PHE A 115 -8.555 -3.385 -2.013 1.00 0.14 N ATOM 1655 CA PHE A 115 -10.007 -3.325 -1.999 1.00 0.17 C ATOM 1656 C PHE A 115 -10.537 -3.931 -3.301 1.00 0.22 C ATOM 1657 O PHE A 115 -10.039 -3.614 -4.382 1.00 0.23 O ATOM 1658 CB PHE A 115 -10.466 -1.867 -1.841 1.00 0.15 C ATOM 1659 CG PHE A 115 -11.918 -1.708 -1.482 1.00 0.17 C ATOM 1660 CD1 PHE A 115 -12.880 -1.628 -2.476 1.00 0.23 C ATOM 1661 CD2 PHE A 115 -12.325 -1.650 -0.158 1.00 0.17 C ATOM 1662 CE1 PHE A 115 -14.217 -1.492 -2.158 1.00 0.26 C ATOM 1663 CE2 PHE A 115 -13.662 -1.516 0.166 1.00 0.20 C ATOM 1664 CZ PHE A 115 -14.596 -1.393 -0.802 1.00 0.24 C ATOM 0 H PHE A 115 -8.096 -2.478 -2.102 1.00 0.14 H new ATOM 0 HA PHE A 115 -10.401 -3.894 -1.157 1.00 0.17 H new ATOM 0 HB2 PHE A 115 -9.860 -1.389 -1.071 1.00 0.15 H new ATOM 0 HB3 PHE A 115 -10.274 -1.336 -2.773 1.00 0.15 H new ATOM 0 HD1 PHE A 115 -12.580 -1.673 -3.513 1.00 0.23 H new ATOM 0 HD2 PHE A 115 -11.589 -1.710 0.630 1.00 0.17 H new ATOM 0 HE1 PHE A 115 -14.964 -1.462 -2.938 1.00 0.26 H new ATOM 0 HE2 PHE A 115 -13.963 -1.510 1.203 1.00 0.20 H new ATOM 0 HZ PHE A 115 -15.629 -1.220 -0.539 1.00 0.24 H new ATOM 1674 N PRO A 116 -11.525 -4.845 -3.215 1.00 0.30 N ATOM 1675 CA PRO A 116 -12.079 -5.536 -4.389 1.00 0.37 C ATOM 1676 C PRO A 116 -12.566 -4.568 -5.460 1.00 0.31 C ATOM 1677 O PRO A 116 -13.508 -3.802 -5.242 1.00 0.30 O ATOM 1678 CB PRO A 116 -13.254 -6.335 -3.821 1.00 0.46 C ATOM 1679 CG PRO A 116 -12.929 -6.514 -2.382 1.00 0.49 C ATOM 1680 CD PRO A 116 -12.173 -5.281 -1.969 1.00 0.37 C ATOM 0 HA PRO A 116 -11.328 -6.152 -4.882 1.00 0.37 H new ATOM 0 HB2 PRO A 116 -14.195 -5.801 -3.951 1.00 0.46 H new ATOM 0 HB3 PRO A 116 -13.360 -7.295 -4.325 1.00 0.46 H new ATOM 0 HG2 PRO A 116 -13.836 -6.632 -1.789 1.00 0.49 H new ATOM 0 HG3 PRO A 116 -12.328 -7.410 -2.227 1.00 0.49 H new ATOM 0 HD2 PRO A 116 -12.840 -4.515 -1.573 1.00 0.37 H new ATOM 0 HD3 PRO A 116 -11.442 -5.500 -1.191 1.00 0.37 H new ATOM 1688 N GLY A 117 -11.914 -4.609 -6.613 1.00 0.34 N ATOM 1689 CA GLY A 117 -12.244 -3.702 -7.692 1.00 0.33 C ATOM 1690 C GLY A 117 -11.221 -2.595 -7.816 1.00 0.33 C ATOM 1691 O GLY A 117 -10.954 -2.100 -8.910 1.00 0.50 O ATOM 0 H GLY A 117 -11.157 -5.260 -6.821 1.00 0.34 H new ATOM 0 HA2 GLY A 117 -12.299 -4.255 -8.630 1.00 0.33 H new ATOM 0 HA3 GLY A 117 -13.230 -3.271 -7.518 1.00 0.33 H new ATOM 1695 N HIS A 118 -10.628 -2.226 -6.689 1.00 0.24 N ATOM 1696 CA HIS A 118 -9.631 -1.166 -6.655 1.00 0.23 C ATOM 1697 C HIS A 118 -8.278 -1.694 -7.106 1.00 0.29 C ATOM 1698 O HIS A 118 -7.601 -1.068 -7.918 1.00 0.38 O ATOM 1699 CB HIS A 118 -9.508 -0.568 -5.243 1.00 0.20 C ATOM 1700 CG HIS A 118 -10.686 0.261 -4.814 1.00 0.16 C ATOM 1701 ND1 HIS A 118 -10.587 1.186 -3.795 1.00 0.18 N ATOM 1702 CD2 HIS A 118 -11.956 0.265 -5.288 1.00 0.19 C ATOM 1703 CE1 HIS A 118 -11.790 1.720 -3.675 1.00 0.20 C ATOM 1704 NE2 HIS A 118 -12.654 1.193 -4.558 1.00 0.18 N ATOM 0 H HIS A 118 -10.822 -2.648 -5.781 1.00 0.24 H new ATOM 0 HA HIS A 118 -9.956 -0.381 -7.338 1.00 0.23 H new ATOM 0 HB2 HIS A 118 -9.371 -1.380 -4.529 1.00 0.20 H new ATOM 0 HB3 HIS A 118 -8.610 0.049 -5.200 1.00 0.20 H new ATOM 0 HD2 HIS A 118 -12.345 -0.347 -6.089 1.00 0.19 H new ATOM 0 HE1 HIS A 118 -12.046 2.485 -2.957 1.00 0.20 H new ATOM 0 HE2 HIS A 118 -13.639 1.436 -4.665 1.00 0.18 H new ATOM 1712 N GLY A 119 -7.912 -2.872 -6.609 1.00 0.33 N ATOM 1713 CA GLY A 119 -6.589 -3.434 -6.856 1.00 0.42 C ATOM 1714 C GLY A 119 -6.243 -3.597 -8.324 1.00 0.49 C ATOM 1715 O GLY A 119 -5.073 -3.752 -8.672 1.00 0.61 O ATOM 0 H GLY A 119 -8.516 -3.457 -6.031 1.00 0.33 H new ATOM 0 HA2 GLY A 119 -5.842 -2.793 -6.388 1.00 0.42 H new ATOM 0 HA3 GLY A 119 -6.524 -4.407 -6.369 1.00 0.42 H new ATOM 1719 N ALA A 120 -7.247 -3.556 -9.186 1.00 0.53 N ATOM 1720 CA ALA A 120 -7.034 -3.742 -10.612 1.00 0.67 C ATOM 1721 C ALA A 120 -6.480 -2.483 -11.270 1.00 0.64 C ATOM 1722 O ALA A 120 -5.705 -2.558 -12.221 1.00 0.75 O ATOM 1723 CB ALA A 120 -8.333 -4.153 -11.282 1.00 0.83 C ATOM 0 H ALA A 120 -8.219 -3.395 -8.922 1.00 0.53 H new ATOM 0 HA ALA A 120 -6.294 -4.533 -10.737 1.00 0.67 H new ATOM 0 HB1 ALA A 120 -8.164 -4.290 -12.350 1.00 0.83 H new ATOM 0 HB2 ALA A 120 -8.686 -5.088 -10.848 1.00 0.83 H new ATOM 0 HB3 ALA A 120 -9.082 -3.376 -11.130 1.00 0.83 H new ATOM 1729 N LEU A 121 -6.875 -1.326 -10.758 1.00 0.56 N ATOM 1730 CA LEU A 121 -6.503 -0.059 -11.380 1.00 0.64 C ATOM 1731 C LEU A 121 -5.803 0.873 -10.393 1.00 0.51 C ATOM 1732 O LEU A 121 -5.282 1.920 -10.774 1.00 0.69 O ATOM 1733 CB LEU A 121 -7.756 0.613 -11.966 1.00 0.82 C ATOM 1734 CG LEU A 121 -8.938 0.774 -11.000 1.00 1.38 C ATOM 1735 CD1 LEU A 121 -8.821 2.056 -10.189 1.00 2.13 C ATOM 1736 CD2 LEU A 121 -10.254 0.744 -11.759 1.00 1.76 C ATOM 0 H LEU A 121 -7.449 -1.236 -9.920 1.00 0.56 H new ATOM 0 HA LEU A 121 -5.794 -0.267 -12.182 1.00 0.64 H new ATOM 0 HB2 LEU A 121 -7.477 1.599 -12.337 1.00 0.82 H new ATOM 0 HB3 LEU A 121 -8.089 0.031 -12.825 1.00 0.82 H new ATOM 0 HG LEU A 121 -8.916 -0.065 -10.304 1.00 1.38 H new ATOM 0 HD11 LEU A 121 -9.674 2.139 -9.515 1.00 2.13 H new ATOM 0 HD12 LEU A 121 -7.899 2.036 -9.607 1.00 2.13 H new ATOM 0 HD13 LEU A 121 -8.806 2.913 -10.863 1.00 2.13 H new ATOM 0 HD21 LEU A 121 -11.081 0.859 -11.058 1.00 1.76 H new ATOM 0 HD22 LEU A 121 -10.275 1.559 -12.483 1.00 1.76 H new ATOM 0 HD23 LEU A 121 -10.351 -0.208 -12.281 1.00 1.76 H new ATOM 1748 N MET A 122 -5.783 0.482 -9.133 1.00 0.34 N ATOM 1749 CA MET A 122 -5.244 1.322 -8.077 1.00 0.22 C ATOM 1750 C MET A 122 -3.940 0.730 -7.567 1.00 0.17 C ATOM 1751 O MET A 122 -3.879 0.154 -6.479 1.00 0.21 O ATOM 1752 CB MET A 122 -6.268 1.425 -6.951 1.00 0.27 C ATOM 1753 CG MET A 122 -6.324 2.778 -6.275 1.00 0.65 C ATOM 1754 SD MET A 122 -7.791 2.951 -5.247 1.00 0.24 S ATOM 1755 CE MET A 122 -9.074 2.607 -6.441 1.00 0.54 C ATOM 0 H MET A 122 -6.137 -0.420 -8.813 1.00 0.34 H new ATOM 0 HA MET A 122 -5.039 2.321 -8.462 1.00 0.22 H new ATOM 0 HB2 MET A 122 -7.255 1.192 -7.352 1.00 0.27 H new ATOM 0 HB3 MET A 122 -6.042 0.667 -6.201 1.00 0.27 H new ATOM 0 HG2 MET A 122 -5.433 2.916 -5.663 1.00 0.65 H new ATOM 0 HG3 MET A 122 -6.315 3.563 -7.031 1.00 0.65 H new ATOM 0 HE1 MET A 122 -10.041 2.896 -6.029 1.00 0.54 H new ATOM 0 HE2 MET A 122 -8.884 3.173 -7.353 1.00 0.54 H new ATOM 0 HE3 MET A 122 -9.081 1.541 -6.671 1.00 0.54 H new ATOM 1765 N ASN A 123 -2.905 0.868 -8.374 1.00 0.20 N ATOM 1766 CA ASN A 123 -1.618 0.257 -8.091 1.00 0.25 C ATOM 1767 C ASN A 123 -0.479 1.172 -8.518 1.00 0.22 C ATOM 1768 O ASN A 123 -0.698 2.174 -9.204 1.00 0.34 O ATOM 1769 CB ASN A 123 -1.513 -1.098 -8.810 1.00 0.44 C ATOM 1770 CG ASN A 123 -1.798 -1.007 -10.304 1.00 0.54 C ATOM 1771 OD1 ASN A 123 -1.518 0.003 -10.952 1.00 1.13 O ATOM 1772 ND2 ASN A 123 -2.369 -2.061 -10.861 1.00 0.58 N ATOM 0 H ASN A 123 -2.931 1.404 -9.241 1.00 0.20 H new ATOM 0 HA ASN A 123 -1.539 0.097 -7.016 1.00 0.25 H new ATOM 0 HB2 ASN A 123 -0.513 -1.505 -8.661 1.00 0.44 H new ATOM 0 HB3 ASN A 123 -2.213 -1.799 -8.355 1.00 0.44 H new ATOM 0 HD21 ASN A 123 -2.591 -2.054 -11.856 1.00 0.58 H new ATOM 0 HD22 ASN A 123 -2.587 -2.881 -10.295 1.00 0.58 H new ATOM 1779 N GLY A 124 0.729 0.832 -8.102 1.00 0.19 N ATOM 1780 CA GLY A 124 1.893 1.585 -8.511 1.00 0.21 C ATOM 1781 C GLY A 124 3.182 0.846 -8.223 1.00 0.23 C ATOM 1782 O GLY A 124 3.162 -0.293 -7.751 1.00 0.31 O ATOM 0 H GLY A 124 0.925 0.044 -7.485 1.00 0.19 H new ATOM 0 HA2 GLY A 124 1.829 1.798 -9.578 1.00 0.21 H new ATOM 0 HA3 GLY A 124 1.903 2.545 -7.994 1.00 0.21 H new ATOM 1786 N LYS A 125 4.300 1.496 -8.497 1.00 0.24 N ATOM 1787 CA LYS A 125 5.610 0.895 -8.305 1.00 0.28 C ATOM 1788 C LYS A 125 6.279 1.464 -7.062 1.00 0.25 C ATOM 1789 O LYS A 125 6.297 2.675 -6.859 1.00 0.26 O ATOM 1790 CB LYS A 125 6.494 1.166 -9.527 1.00 0.40 C ATOM 1791 CG LYS A 125 5.952 0.579 -10.821 1.00 1.21 C ATOM 1792 CD LYS A 125 6.175 -0.923 -10.901 1.00 1.31 C ATOM 1793 CE LYS A 125 7.646 -1.259 -11.113 1.00 1.41 C ATOM 1794 NZ LYS A 125 7.854 -2.700 -11.414 1.00 1.48 N1+ ATOM 0 H LYS A 125 4.327 2.450 -8.857 1.00 0.24 H new ATOM 0 HA LYS A 125 5.481 -0.180 -8.179 1.00 0.28 H new ATOM 0 HB2 LYS A 125 6.609 2.243 -9.648 1.00 0.40 H new ATOM 0 HB3 LYS A 125 7.488 0.758 -9.342 1.00 0.40 H new ATOM 0 HG2 LYS A 125 4.886 0.792 -10.897 1.00 1.21 H new ATOM 0 HG3 LYS A 125 6.435 1.063 -11.670 1.00 1.21 H new ATOM 0 HD2 LYS A 125 5.822 -1.394 -9.983 1.00 1.31 H new ATOM 0 HD3 LYS A 125 5.585 -1.336 -11.719 1.00 1.31 H new ATOM 0 HE2 LYS A 125 8.040 -0.658 -11.932 1.00 1.41 H new ATOM 0 HE3 LYS A 125 8.211 -0.991 -10.220 1.00 1.41 H new ATOM 0 HZ1 LYS A 125 8.857 -2.868 -11.634 1.00 1.48 H new ATOM 0 HZ2 LYS A 125 7.581 -3.270 -10.588 1.00 1.48 H new ATOM 0 HZ3 LYS A 125 7.270 -2.972 -12.231 1.00 1.48 H new ATOM 1808 N VAL A 126 6.818 0.595 -6.228 1.00 0.25 N ATOM 1809 CA VAL A 126 7.599 1.042 -5.092 1.00 0.25 C ATOM 1810 C VAL A 126 9.060 0.677 -5.320 1.00 0.30 C ATOM 1811 O VAL A 126 9.422 -0.496 -5.424 1.00 0.45 O ATOM 1812 CB VAL A 126 7.073 0.485 -3.746 1.00 0.42 C ATOM 1813 CG1 VAL A 126 6.951 -1.026 -3.771 1.00 1.10 C ATOM 1814 CG2 VAL A 126 7.961 0.926 -2.595 1.00 1.11 C ATOM 0 H VAL A 126 6.730 -0.417 -6.315 1.00 0.25 H new ATOM 0 HA VAL A 126 7.503 2.125 -5.015 1.00 0.25 H new ATOM 0 HB VAL A 126 6.075 0.895 -3.595 1.00 0.42 H new ATOM 0 HG11 VAL A 126 6.579 -1.377 -2.808 1.00 1.10 H new ATOM 0 HG12 VAL A 126 6.257 -1.322 -4.558 1.00 1.10 H new ATOM 0 HG13 VAL A 126 7.929 -1.467 -3.965 1.00 1.10 H new ATOM 0 HG21 VAL A 126 7.572 0.523 -1.660 1.00 1.11 H new ATOM 0 HG22 VAL A 126 8.974 0.557 -2.755 1.00 1.11 H new ATOM 0 HG23 VAL A 126 7.975 2.015 -2.543 1.00 1.11 H new ATOM 1824 N THR A 127 9.885 1.695 -5.438 1.00 0.35 N ATOM 1825 CA THR A 127 11.255 1.521 -5.866 1.00 0.54 C ATOM 1826 C THR A 127 12.216 1.654 -4.696 1.00 0.45 C ATOM 1827 O THR A 127 12.119 2.593 -3.905 1.00 0.37 O ATOM 1828 CB THR A 127 11.605 2.568 -6.939 1.00 0.76 C ATOM 1829 OG1 THR A 127 10.600 2.562 -7.962 1.00 0.86 O ATOM 1830 CG2 THR A 127 12.965 2.288 -7.558 1.00 0.97 C ATOM 0 H THR A 127 9.626 2.662 -5.241 1.00 0.35 H new ATOM 0 HA THR A 127 11.354 0.519 -6.282 1.00 0.54 H new ATOM 0 HB THR A 127 11.643 3.547 -6.461 1.00 0.76 H new ATOM 0 HG1 THR A 127 10.065 3.380 -7.899 1.00 0.86 H new ATOM 0 HG21 THR A 127 13.184 3.044 -8.312 1.00 0.97 H new ATOM 0 HG22 THR A 127 13.730 2.316 -6.783 1.00 0.97 H new ATOM 0 HG23 THR A 127 12.957 1.303 -8.024 1.00 0.97 H new ATOM 1838 N LEU A 128 13.135 0.709 -4.584 1.00 0.52 N ATOM 1839 CA LEU A 128 14.164 0.783 -3.569 1.00 0.49 C ATOM 1840 C LEU A 128 15.321 1.615 -4.095 1.00 0.50 C ATOM 1841 O LEU A 128 16.009 1.223 -5.040 1.00 0.59 O ATOM 1842 CB LEU A 128 14.649 -0.612 -3.169 1.00 0.59 C ATOM 1843 CG LEU A 128 15.540 -0.651 -1.927 1.00 0.73 C ATOM 1844 CD1 LEU A 128 14.763 -0.214 -0.698 1.00 0.78 C ATOM 1845 CD2 LEU A 128 16.112 -2.039 -1.715 1.00 1.44 C ATOM 0 H LEU A 128 13.187 -0.115 -5.183 1.00 0.52 H new ATOM 0 HA LEU A 128 13.747 1.253 -2.678 1.00 0.49 H new ATOM 0 HB2 LEU A 128 13.780 -1.247 -2.995 1.00 0.59 H new ATOM 0 HB3 LEU A 128 15.198 -1.044 -4.006 1.00 0.59 H new ATOM 0 HG LEU A 128 16.366 0.042 -2.085 1.00 0.73 H new ATOM 0 HD11 LEU A 128 15.414 -0.249 0.175 1.00 0.78 H new ATOM 0 HD12 LEU A 128 14.400 0.804 -0.840 1.00 0.78 H new ATOM 0 HD13 LEU A 128 13.916 -0.883 -0.546 1.00 0.78 H new ATOM 0 HD21 LEU A 128 16.742 -2.041 -0.826 1.00 1.44 H new ATOM 0 HD22 LEU A 128 15.298 -2.752 -1.584 1.00 1.44 H new ATOM 0 HD23 LEU A 128 16.708 -2.323 -2.582 1.00 1.44 H new ATOM 1857 N VAL A 129 15.516 2.769 -3.493 1.00 0.46 N ATOM 1858 CA VAL A 129 16.509 3.715 -3.960 1.00 0.51 C ATOM 1859 C VAL A 129 17.608 3.886 -2.926 1.00 0.50 C ATOM 1860 O VAL A 129 17.504 3.370 -1.818 1.00 0.50 O ATOM 1861 CB VAL A 129 15.879 5.088 -4.278 1.00 0.54 C ATOM 1862 CG1 VAL A 129 14.845 4.959 -5.385 1.00 0.60 C ATOM 1863 CG2 VAL A 129 15.250 5.698 -3.034 1.00 0.50 C ATOM 0 H VAL A 129 14.995 3.077 -2.672 1.00 0.46 H new ATOM 0 HA VAL A 129 16.935 3.313 -4.879 1.00 0.51 H new ATOM 0 HB VAL A 129 16.673 5.752 -4.620 1.00 0.54 H new ATOM 0 HG11 VAL A 129 14.412 5.937 -5.595 1.00 0.60 H new ATOM 0 HG12 VAL A 129 15.322 4.573 -6.286 1.00 0.60 H new ATOM 0 HG13 VAL A 129 14.058 4.274 -5.070 1.00 0.60 H new ATOM 0 HG21 VAL A 129 14.813 6.665 -3.284 1.00 0.50 H new ATOM 0 HG22 VAL A 129 14.472 5.034 -2.657 1.00 0.50 H new ATOM 0 HG23 VAL A 129 16.014 5.832 -2.268 1.00 0.50 H new ATOM 1873 N ASP A 130 18.653 4.606 -3.297 1.00 0.55 N ATOM 1874 CA ASP A 130 19.792 4.833 -2.408 1.00 0.62 C ATOM 1875 C ASP A 130 19.359 5.512 -1.114 1.00 1.17 C ATOM 1876 O ASP A 130 19.349 4.888 -0.052 1.00 2.01 O ATOM 1877 CB ASP A 130 20.855 5.685 -3.106 1.00 0.98 C ATOM 1878 CG ASP A 130 21.441 5.004 -4.325 1.00 1.49 C ATOM 1879 OD1 ASP A 130 20.869 5.146 -5.424 1.00 1.87 O1- ATOM 1880 OD2 ASP A 130 22.478 4.321 -4.190 1.00 2.25 O ATOM 0 H ASP A 130 18.741 5.048 -4.212 1.00 0.55 H new ATOM 0 HA ASP A 130 20.215 3.859 -2.161 1.00 0.62 H new ATOM 0 HB2 ASP A 130 20.415 6.637 -3.403 1.00 0.98 H new ATOM 0 HB3 ASP A 130 21.655 5.910 -2.401 1.00 0.98 H new