USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 504 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 142 SER OG : rot -40:sc= 1.19 USER MOD Set 1.2: A 151 THR OG1 : rot -133:sc= 1.78 USER MOD Single : A 100 SER OG : rot -156:sc= 0.91 USER MOD Single : A 101 LYS NZ :NH3+ -167:sc= -0.0293 (180deg=-0.229) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 130:sc= -0.304 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.331 F(o=-2.7!,f=-0.33) USER MOD Single : A 110 LYS NZ :NH3+ -168:sc= -0.0309 (180deg=-0.205) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 135 HIS : no HD1:sc= 0.0496 K(o=0.05,f=-3.9!) USER MOD Single : A 139 SER OG : rot 163:sc= 0.347 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 146 GLN : amide:sc=-0.00207 X(o=-0.0021,f=0) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 SER OG : rot 69:sc= 0.165 USER MOD Single : A 153 LYS NZ :NH3+ -116:sc= -11.3! (180deg=-19.3!) USER MOD Single : A 155 HIS : no HD1:sc= -0.356 K(o=-0.36,f=-1) USER MOD Single : A 157 GLN : amide:sc= -1.04 K(o=-1,f=-3.5!) USER MOD Single : A 159 ASN : amide:sc= 0.269 K(o=0.27,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 92 21.987 1.888 -17.559 1.00 0.00 N ATOM 2 CA GLU A 92 21.630 2.618 -18.804 1.00 0.00 C ATOM 3 C GLU A 92 20.350 3.426 -18.619 1.00 0.00 C ATOM 4 O GLU A 92 20.264 4.578 -19.046 1.00 0.00 O ATOM 5 CB GLU A 92 21.453 1.601 -19.932 1.00 0.00 C ATOM 6 CG GLU A 92 22.685 0.743 -20.175 1.00 0.00 C ATOM 7 CD GLU A 92 22.493 -0.250 -21.306 1.00 0.00 C ATOM 8 OE1 GLU A 92 21.394 -0.270 -21.900 1.00 0.00 O ATOM 9 OE2 GLU A 92 23.442 -1.008 -21.597 1.00 0.00 O ATOM 0 HA GLU A 92 22.429 3.318 -19.051 1.00 0.00 H new ATOM 0 HB2 GLU A 92 20.609 0.952 -19.696 1.00 0.00 H new ATOM 0 HB3 GLU A 92 21.202 2.130 -20.851 1.00 0.00 H new ATOM 0 HG2 GLU A 92 23.533 1.389 -20.404 1.00 0.00 H new ATOM 0 HG3 GLU A 92 22.933 0.203 -19.261 1.00 0.00 H new ATOM 18 N ALA A 93 19.360 2.812 -17.977 1.00 0.00 N ATOM 19 CA ALA A 93 18.081 3.469 -17.730 1.00 0.00 C ATOM 20 C ALA A 93 17.212 2.630 -16.798 1.00 0.00 C ATOM 21 O ALA A 93 16.001 2.523 -16.987 1.00 0.00 O ATOM 22 CB ALA A 93 17.356 3.726 -19.043 1.00 0.00 C ATOM 0 H ALA A 93 19.420 1.859 -17.618 1.00 0.00 H new ATOM 0 HA ALA A 93 18.276 4.426 -17.245 1.00 0.00 H new ATOM 0 HB1 ALA A 93 16.403 4.217 -18.843 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.968 4.367 -19.677 1.00 0.00 H new ATOM 0 HB3 ALA A 93 17.176 2.778 -19.551 1.00 0.00 H new ATOM 28 N GLU A 94 17.844 2.038 -15.789 1.00 0.00 N ATOM 29 CA GLU A 94 17.138 1.206 -14.822 1.00 0.00 C ATOM 30 C GLU A 94 16.178 2.041 -13.979 1.00 0.00 C ATOM 31 O GLU A 94 16.493 3.167 -13.594 1.00 0.00 O ATOM 32 CB GLU A 94 18.136 0.482 -13.915 1.00 0.00 C ATOM 33 CG GLU A 94 19.080 -0.446 -14.665 1.00 0.00 C ATOM 34 CD GLU A 94 18.363 -1.605 -15.334 1.00 0.00 C ATOM 35 OE1 GLU A 94 17.128 -1.712 -15.179 1.00 0.00 O ATOM 36 OE2 GLU A 94 19.039 -2.409 -16.009 1.00 0.00 O ATOM 0 H GLU A 94 18.847 2.120 -15.620 1.00 0.00 H new ATOM 0 HA GLU A 94 16.557 0.467 -15.374 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.723 1.222 -13.372 1.00 0.00 H new ATOM 0 HB3 GLU A 94 17.586 -0.096 -13.172 1.00 0.00 H new ATOM 0 HG2 GLU A 94 19.619 0.126 -15.420 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.824 -0.838 -13.971 1.00 0.00 H new ATOM 43 N PHE A 95 15.006 1.479 -13.697 1.00 0.00 N ATOM 44 CA PHE A 95 13.995 2.166 -12.902 1.00 0.00 C ATOM 45 C PHE A 95 14.543 2.577 -11.536 1.00 0.00 C ATOM 46 O PHE A 95 15.385 1.890 -10.958 1.00 0.00 O ATOM 47 CB PHE A 95 12.750 1.283 -12.744 1.00 0.00 C ATOM 48 CG PHE A 95 13.040 -0.137 -12.334 1.00 0.00 C ATOM 49 CD1 PHE A 95 13.705 -0.420 -11.150 1.00 0.00 C ATOM 50 CD2 PHE A 95 12.638 -1.193 -13.137 1.00 0.00 C ATOM 51 CE1 PHE A 95 13.964 -1.724 -10.776 1.00 0.00 C ATOM 52 CE2 PHE A 95 12.894 -2.500 -12.768 1.00 0.00 C ATOM 53 CZ PHE A 95 13.558 -2.767 -11.587 1.00 0.00 C ATOM 0 H PHE A 95 14.733 0.547 -14.009 1.00 0.00 H new ATOM 0 HA PHE A 95 13.713 3.077 -13.431 1.00 0.00 H new ATOM 0 HB2 PHE A 95 12.091 1.735 -12.002 1.00 0.00 H new ATOM 0 HB3 PHE A 95 12.206 1.271 -13.688 1.00 0.00 H new ATOM 0 HD1 PHE A 95 14.025 0.391 -10.512 1.00 0.00 H new ATOM 0 HD2 PHE A 95 12.118 -0.992 -14.062 1.00 0.00 H new ATOM 0 HE1 PHE A 95 14.483 -1.928 -9.851 1.00 0.00 H new ATOM 0 HE2 PHE A 95 12.575 -3.313 -13.403 1.00 0.00 H new ATOM 0 HZ PHE A 95 13.759 -3.788 -11.298 1.00 0.00 H new ATOM 63 N VAL A 96 14.068 3.713 -11.034 1.00 0.00 N ATOM 64 CA VAL A 96 14.511 4.227 -9.743 1.00 0.00 C ATOM 65 C VAL A 96 14.044 3.332 -8.598 1.00 0.00 C ATOM 66 O VAL A 96 12.896 2.887 -8.573 1.00 0.00 O ATOM 67 CB VAL A 96 13.997 5.661 -9.503 1.00 0.00 C ATOM 68 CG1 VAL A 96 14.524 6.208 -8.185 1.00 0.00 C ATOM 69 CG2 VAL A 96 14.388 6.568 -10.659 1.00 0.00 C ATOM 0 H VAL A 96 13.375 4.296 -11.503 1.00 0.00 H new ATOM 0 HA VAL A 96 15.601 4.237 -9.767 1.00 0.00 H new ATOM 0 HB VAL A 96 12.909 5.631 -9.446 1.00 0.00 H new ATOM 0 HG11 VAL A 96 14.149 7.221 -8.035 1.00 0.00 H new ATOM 0 HG12 VAL A 96 14.187 5.572 -7.366 1.00 0.00 H new ATOM 0 HG13 VAL A 96 15.614 6.224 -8.207 1.00 0.00 H new ATOM 0 HG21 VAL A 96 14.017 7.576 -10.472 1.00 0.00 H new ATOM 0 HG22 VAL A 96 15.474 6.592 -10.751 1.00 0.00 H new ATOM 0 HG23 VAL A 96 13.954 6.187 -11.583 1.00 0.00 H new ATOM 79 N ARG A 97 14.943 3.071 -7.653 1.00 0.00 N ATOM 80 CA ARG A 97 14.632 2.229 -6.501 1.00 0.00 C ATOM 81 C ARG A 97 14.123 3.055 -5.323 1.00 0.00 C ATOM 82 O ARG A 97 14.906 3.697 -4.623 1.00 0.00 O ATOM 83 CB ARG A 97 15.875 1.442 -6.083 1.00 0.00 C ATOM 84 CG ARG A 97 15.805 0.884 -4.672 1.00 0.00 C ATOM 85 CD ARG A 97 17.073 0.120 -4.320 1.00 0.00 C ATOM 86 NE ARG A 97 17.301 -1.017 -5.208 1.00 0.00 N ATOM 87 CZ ARG A 97 16.493 -2.070 -5.284 1.00 0.00 C ATOM 88 NH1 ARG A 97 15.408 -2.136 -4.525 1.00 0.00 N ATOM 89 NH2 ARG A 97 16.772 -3.061 -6.119 1.00 0.00 N ATOM 0 H ARG A 97 15.897 3.432 -7.663 1.00 0.00 H new ATOM 0 HA ARG A 97 13.841 1.539 -6.794 1.00 0.00 H new ATOM 0 HB2 ARG A 97 16.024 0.619 -6.782 1.00 0.00 H new ATOM 0 HB3 ARG A 97 16.748 2.090 -6.164 1.00 0.00 H new ATOM 0 HG2 ARG A 97 15.659 1.699 -3.963 1.00 0.00 H new ATOM 0 HG3 ARG A 97 14.942 0.224 -4.581 1.00 0.00 H new ATOM 0 HD2 ARG A 97 17.927 0.795 -4.372 1.00 0.00 H new ATOM 0 HD3 ARG A 97 17.008 -0.233 -3.291 1.00 0.00 H new ATOM 0 HE ARG A 97 18.128 -1.002 -5.805 1.00 0.00 H new ATOM 0 HH11 ARG A 97 15.190 -1.377 -3.879 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.791 -2.946 -4.587 1.00 0.00 H new ATOM 0 HH21 ARG A 97 17.607 -3.016 -6.703 1.00 0.00 H new ATOM 0 HH22 ARG A 97 16.152 -3.869 -6.177 1.00 0.00 H new ATOM 103 N ILE A 98 12.810 3.006 -5.097 1.00 0.00 N ATOM 104 CA ILE A 98 12.178 3.725 -3.991 1.00 0.00 C ATOM 105 C ILE A 98 10.790 3.158 -3.709 1.00 0.00 C ATOM 106 O ILE A 98 9.837 3.907 -3.487 1.00 0.00 O ATOM 107 CB ILE A 98 12.028 5.249 -4.263 1.00 0.00 C ATOM 108 CG1 ILE A 98 11.126 5.509 -5.480 1.00 0.00 C ATOM 109 CG2 ILE A 98 13.379 5.922 -4.447 1.00 0.00 C ATOM 110 CD1 ILE A 98 11.680 4.997 -6.793 1.00 0.00 C ATOM 0 H ILE A 98 12.159 2.471 -5.671 1.00 0.00 H new ATOM 0 HA ILE A 98 12.838 3.591 -3.134 1.00 0.00 H new ATOM 0 HB ILE A 98 11.554 5.687 -3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.156 5.044 -5.303 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.954 6.582 -5.566 1.00 0.00 H new ATOM 0 HG21 ILE A 98 13.233 6.986 -4.635 1.00 0.00 H new ATOM 0 HG22 ILE A 98 13.976 5.792 -3.545 1.00 0.00 H new ATOM 0 HG23 ILE A 98 13.897 5.472 -5.294 1.00 0.00 H new ATOM 0 HD11 ILE A 98 10.979 5.223 -7.597 1.00 0.00 H new ATOM 0 HD12 ILE A 98 12.635 5.480 -6.998 1.00 0.00 H new ATOM 0 HD13 ILE A 98 11.825 3.918 -6.731 1.00 0.00 H new ATOM 122 N CYS A 99 10.682 1.832 -3.726 1.00 0.00 N ATOM 123 CA CYS A 99 9.410 1.161 -3.483 1.00 0.00 C ATOM 124 C CYS A 99 8.409 1.508 -4.587 1.00 0.00 C ATOM 125 O CYS A 99 8.263 2.673 -4.955 1.00 0.00 O ATOM 126 CB CYS A 99 8.852 1.571 -2.121 1.00 0.00 C ATOM 127 SG CYS A 99 9.924 1.157 -0.707 1.00 0.00 S ATOM 0 H CYS A 99 11.463 1.201 -3.906 1.00 0.00 H new ATOM 0 HA CYS A 99 9.576 0.084 -3.487 1.00 0.00 H new ATOM 0 HB2 CYS A 99 8.676 2.647 -2.124 1.00 0.00 H new ATOM 0 HB3 CYS A 99 7.884 1.090 -1.980 1.00 0.00 H new ATOM 132 N SER A 100 7.733 0.492 -5.120 1.00 0.00 N ATOM 133 CA SER A 100 6.757 0.697 -6.192 1.00 0.00 C ATOM 134 C SER A 100 5.904 1.937 -5.934 1.00 0.00 C ATOM 135 O SER A 100 5.322 2.092 -4.860 1.00 0.00 O ATOM 136 CB SER A 100 5.860 -0.532 -6.345 1.00 0.00 C ATOM 137 OG SER A 100 4.943 -0.365 -7.412 1.00 0.00 O ATOM 0 H SER A 100 7.842 -0.480 -4.829 1.00 0.00 H new ATOM 0 HA SER A 100 7.311 0.849 -7.119 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.474 -1.414 -6.524 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.315 -0.706 -5.417 1.00 0.00 H new ATOM 0 HG SER A 100 4.164 -0.942 -7.267 1.00 0.00 H new ATOM 143 N LYS A 101 5.842 2.818 -6.927 1.00 0.00 N ATOM 144 CA LYS A 101 5.070 4.053 -6.819 1.00 0.00 C ATOM 145 C LYS A 101 3.572 3.790 -6.952 1.00 0.00 C ATOM 146 O LYS A 101 2.760 4.430 -6.283 1.00 0.00 O ATOM 147 CB LYS A 101 5.521 5.049 -7.890 1.00 0.00 C ATOM 148 CG LYS A 101 6.987 5.443 -7.781 1.00 0.00 C ATOM 149 CD LYS A 101 7.283 6.161 -6.473 1.00 0.00 C ATOM 150 CE LYS A 101 6.526 7.476 -6.369 1.00 0.00 C ATOM 151 NZ LYS A 101 6.908 8.424 -7.452 1.00 0.00 N ATOM 0 H LYS A 101 6.319 2.699 -7.821 1.00 0.00 H new ATOM 0 HA LYS A 101 5.251 4.475 -5.830 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.343 4.616 -8.874 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.907 5.947 -7.820 1.00 0.00 H new ATOM 0 HG2 LYS A 101 7.610 4.551 -7.855 1.00 0.00 H new ATOM 0 HG3 LYS A 101 7.253 6.088 -8.618 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.012 5.518 -5.636 1.00 0.00 H new ATOM 0 HD3 LYS A 101 8.354 6.350 -6.396 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.454 7.283 -6.417 1.00 0.00 H new ATOM 0 HE3 LYS A 101 6.724 7.933 -5.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.546 9.373 -7.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.944 8.459 -7.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 6.501 8.103 -8.354 1.00 0.00 H new ATOM 165 N SER A 102 3.213 2.856 -7.828 1.00 0.00 N ATOM 166 CA SER A 102 1.812 2.517 -8.063 1.00 0.00 C ATOM 167 C SER A 102 1.088 2.179 -6.762 1.00 0.00 C ATOM 168 O SER A 102 -0.045 2.610 -6.544 1.00 0.00 O ATOM 169 CB SER A 102 1.709 1.339 -9.032 1.00 0.00 C ATOM 170 OG SER A 102 0.357 0.990 -9.271 1.00 0.00 O ATOM 0 H SER A 102 3.875 2.319 -8.388 1.00 0.00 H new ATOM 0 HA SER A 102 1.331 3.392 -8.500 1.00 0.00 H new ATOM 0 HB2 SER A 102 2.193 1.596 -9.974 1.00 0.00 H new ATOM 0 HB3 SER A 102 2.242 0.481 -8.623 1.00 0.00 H new ATOM 0 HG SER A 102 0.319 0.235 -9.895 1.00 0.00 H new ATOM 176 N TYR A 103 1.741 1.403 -5.906 1.00 0.00 N ATOM 177 CA TYR A 103 1.153 1.002 -4.633 1.00 0.00 C ATOM 178 C TYR A 103 0.807 2.214 -3.769 1.00 0.00 C ATOM 179 O TYR A 103 -0.186 2.201 -3.042 1.00 0.00 O ATOM 180 CB TYR A 103 2.095 0.063 -3.877 1.00 0.00 C ATOM 181 CG TYR A 103 2.215 -1.311 -4.502 1.00 0.00 C ATOM 182 CD1 TYR A 103 2.484 -1.463 -5.857 1.00 0.00 C ATOM 183 CD2 TYR A 103 2.052 -2.458 -3.735 1.00 0.00 C ATOM 184 CE1 TYR A 103 2.590 -2.718 -6.429 1.00 0.00 C ATOM 185 CE2 TYR A 103 2.156 -3.715 -4.300 1.00 0.00 C ATOM 186 CZ TYR A 103 2.424 -3.840 -5.646 1.00 0.00 C ATOM 187 OH TYR A 103 2.527 -5.089 -6.210 1.00 0.00 O ATOM 0 H TYR A 103 2.679 1.038 -6.070 1.00 0.00 H new ATOM 0 HA TYR A 103 0.227 0.471 -4.851 1.00 0.00 H new ATOM 0 HB2 TYR A 103 3.084 0.518 -3.828 1.00 0.00 H new ATOM 0 HB3 TYR A 103 1.742 -0.044 -2.851 1.00 0.00 H new ATOM 0 HD1 TYR A 103 2.613 -0.586 -6.474 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.841 -2.366 -2.680 1.00 0.00 H new ATOM 0 HE1 TYR A 103 2.802 -2.818 -7.483 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.028 -4.596 -3.689 1.00 0.00 H new ATOM 0 HH TYR A 103 3.138 -5.639 -5.677 1.00 0.00 H new ATOM 197 N LEU A 104 1.629 3.257 -3.852 1.00 0.00 N ATOM 198 CA LEU A 104 1.399 4.471 -3.073 1.00 0.00 C ATOM 199 C LEU A 104 0.001 5.030 -3.331 1.00 0.00 C ATOM 200 O LEU A 104 -0.699 5.426 -2.400 1.00 0.00 O ATOM 201 CB LEU A 104 2.455 5.529 -3.408 1.00 0.00 C ATOM 202 CG LEU A 104 3.899 5.132 -3.091 1.00 0.00 C ATOM 203 CD1 LEU A 104 4.853 6.256 -3.465 1.00 0.00 C ATOM 204 CD2 LEU A 104 4.049 4.771 -1.621 1.00 0.00 C ATOM 0 H LEU A 104 2.456 3.287 -4.448 1.00 0.00 H new ATOM 0 HA LEU A 104 1.477 4.212 -2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.385 5.766 -4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.218 6.442 -2.862 1.00 0.00 H new ATOM 0 HG LEU A 104 4.150 4.253 -3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.875 5.958 -3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.769 6.465 -4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.599 7.152 -2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.083 4.492 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.777 5.629 -1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.394 3.933 -1.384 1.00 0.00 H new ATOM 216 N THR A 105 -0.397 5.056 -4.600 1.00 0.00 N ATOM 217 CA THR A 105 -1.712 5.562 -4.980 1.00 0.00 C ATOM 218 C THR A 105 -2.736 4.432 -5.039 1.00 0.00 C ATOM 219 O THR A 105 -2.405 3.303 -5.399 1.00 0.00 O ATOM 220 CB THR A 105 -1.668 6.276 -6.345 1.00 0.00 C ATOM 221 OG1 THR A 105 -2.979 6.726 -6.706 1.00 0.00 O ATOM 222 CG2 THR A 105 -1.129 5.350 -7.426 1.00 0.00 C ATOM 0 H THR A 105 0.172 4.733 -5.382 1.00 0.00 H new ATOM 0 HA THR A 105 -2.010 6.280 -4.216 1.00 0.00 H new ATOM 0 HB THR A 105 -1.001 7.133 -6.258 1.00 0.00 H new ATOM 0 HG1 THR A 105 -2.942 7.180 -7.574 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.108 5.877 -8.380 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.119 5.034 -7.164 1.00 0.00 H new ATOM 0 HG23 THR A 105 -1.773 4.475 -7.510 1.00 0.00 H new ATOM 230 N LEU A 106 -3.979 4.742 -4.680 1.00 0.00 N ATOM 231 CA LEU A 106 -5.043 3.743 -4.692 1.00 0.00 C ATOM 232 C LEU A 106 -6.375 4.356 -5.110 1.00 0.00 C ATOM 233 O LEU A 106 -6.797 5.377 -4.569 1.00 0.00 O ATOM 234 CB LEU A 106 -5.186 3.099 -3.310 1.00 0.00 C ATOM 235 CG LEU A 106 -6.276 2.027 -3.198 1.00 0.00 C ATOM 236 CD1 LEU A 106 -6.152 1.010 -4.324 1.00 0.00 C ATOM 237 CD2 LEU A 106 -6.206 1.339 -1.845 1.00 0.00 C ATOM 0 H LEU A 106 -4.273 5.671 -4.379 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.770 2.980 -5.421 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.231 2.653 -3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.394 3.883 -2.582 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.247 2.515 -3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.936 0.259 -4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.254 1.516 -5.284 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.177 0.526 -4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.986 0.581 -1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.231 0.867 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.350 2.075 -1.054 1.00 0.00 H new ATOM 249 N GLU A 107 -7.036 3.715 -6.068 1.00 0.00 N ATOM 250 CA GLU A 107 -8.326 4.185 -6.552 1.00 0.00 C ATOM 251 C GLU A 107 -9.416 3.891 -5.529 1.00 0.00 C ATOM 252 O GLU A 107 -9.498 2.782 -5.001 1.00 0.00 O ATOM 253 CB GLU A 107 -8.667 3.525 -7.890 1.00 0.00 C ATOM 254 CG GLU A 107 -10.011 3.953 -8.457 1.00 0.00 C ATOM 255 CD GLU A 107 -10.308 3.317 -9.801 1.00 0.00 C ATOM 256 OE1 GLU A 107 -10.357 2.071 -9.869 1.00 0.00 O ATOM 257 OE2 GLU A 107 -10.491 4.065 -10.784 1.00 0.00 O ATOM 0 H GLU A 107 -6.698 2.868 -6.524 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.267 5.263 -6.700 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.886 3.763 -8.612 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -8.664 2.443 -7.762 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -10.799 3.688 -7.752 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -10.028 5.038 -8.561 1.00 0.00 H new ATOM 264 N ASN A 108 -10.247 4.890 -5.250 1.00 0.00 N ATOM 265 CA ASN A 108 -11.328 4.737 -4.283 1.00 0.00 C ATOM 266 C ASN A 108 -10.777 4.320 -2.923 1.00 0.00 C ATOM 267 O ASN A 108 -11.352 3.469 -2.244 1.00 0.00 O ATOM 268 CB ASN A 108 -12.344 3.700 -4.774 1.00 0.00 C ATOM 269 CG ASN A 108 -12.977 4.069 -6.106 1.00 0.00 C ATOM 270 OD1 ASN A 108 -12.592 5.215 -6.659 1.00 0.00 O flip ATOM 271 ND2 ASN A 108 -13.807 3.327 -6.633 1.00 0.00 N flip ATOM 0 H ASN A 108 -10.193 5.814 -5.680 1.00 0.00 H new ATOM 0 HA ASN A 108 -11.829 5.700 -4.178 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -11.850 2.733 -4.869 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -13.128 3.586 -4.025 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -14.075 2.456 -6.176 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -14.226 3.584 -7.527 1.00 0.00 H new ATOM 278 N GLY A 109 -9.656 4.921 -2.534 1.00 0.00 N ATOM 279 CA GLY A 109 -9.046 4.591 -1.259 1.00 0.00 C ATOM 280 C GLY A 109 -7.779 5.375 -0.987 1.00 0.00 C ATOM 281 O GLY A 109 -7.071 5.778 -1.909 1.00 0.00 O ATOM 0 H GLY A 109 -9.161 5.628 -3.077 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.763 4.781 -0.460 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.819 3.525 -1.237 1.00 0.00 H new ATOM 285 N LYS A 110 -7.498 5.579 0.292 1.00 0.00 N ATOM 286 CA LYS A 110 -6.312 6.309 0.723 1.00 0.00 C ATOM 287 C LYS A 110 -5.258 5.349 1.260 1.00 0.00 C ATOM 288 O LYS A 110 -5.582 4.259 1.735 1.00 0.00 O ATOM 289 CB LYS A 110 -6.675 7.340 1.796 1.00 0.00 C ATOM 290 CG LYS A 110 -5.480 8.111 2.339 1.00 0.00 C ATOM 291 CD LYS A 110 -4.785 8.912 1.250 1.00 0.00 C ATOM 292 CE LYS A 110 -3.566 9.644 1.789 1.00 0.00 C ATOM 293 NZ LYS A 110 -3.924 10.594 2.877 1.00 0.00 N ATOM 0 H LYS A 110 -8.082 5.245 1.058 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.903 6.832 -0.142 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -7.392 8.047 1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -7.172 6.831 2.622 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -5.810 8.784 3.131 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -4.771 7.415 2.787 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.483 8.245 0.443 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -5.484 9.632 0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.844 8.919 2.164 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -3.081 10.187 0.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -3.114 11.214 3.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -4.737 11.171 2.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.172 10.061 3.735 1.00 0.00 H new ATOM 307 N VAL A 111 -3.999 5.758 1.185 1.00 0.00 N ATOM 308 CA VAL A 111 -2.901 4.929 1.665 1.00 0.00 C ATOM 309 C VAL A 111 -1.960 5.723 2.566 1.00 0.00 C ATOM 310 O VAL A 111 -1.345 6.698 2.136 1.00 0.00 O ATOM 311 CB VAL A 111 -2.095 4.338 0.492 1.00 0.00 C ATOM 312 CG1 VAL A 111 -0.902 3.545 1.002 1.00 0.00 C ATOM 313 CG2 VAL A 111 -2.985 3.468 -0.383 1.00 0.00 C ATOM 0 H VAL A 111 -3.712 6.657 0.797 1.00 0.00 H new ATOM 0 HA VAL A 111 -3.345 4.117 2.240 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.719 5.163 -0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.348 3.137 0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.251 4.200 1.581 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.251 2.729 1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.399 3.059 -1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.394 2.651 0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.802 4.069 -0.783 1.00 0.00 H new ATOM 323 N PHE A 112 -1.849 5.288 3.819 1.00 0.00 N ATOM 324 CA PHE A 112 -0.977 5.941 4.787 1.00 0.00 C ATOM 325 C PHE A 112 0.485 5.639 4.478 1.00 0.00 C ATOM 326 O PHE A 112 1.094 4.764 5.094 1.00 0.00 O ATOM 327 CB PHE A 112 -1.321 5.493 6.212 1.00 0.00 C ATOM 328 CG PHE A 112 -2.657 5.985 6.702 1.00 0.00 C ATOM 329 CD1 PHE A 112 -3.806 5.790 5.953 1.00 0.00 C ATOM 330 CD2 PHE A 112 -2.758 6.648 7.915 1.00 0.00 C ATOM 331 CE1 PHE A 112 -5.031 6.245 6.404 1.00 0.00 C ATOM 332 CE2 PHE A 112 -3.979 7.105 8.372 1.00 0.00 C ATOM 333 CZ PHE A 112 -5.117 6.904 7.616 1.00 0.00 C ATOM 0 H PHE A 112 -2.355 4.483 4.187 1.00 0.00 H new ATOM 0 HA PHE A 112 -1.133 7.017 4.715 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -1.309 4.404 6.252 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -0.544 5.846 6.890 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -3.744 5.276 5.005 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -1.871 6.809 8.510 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.919 6.086 5.810 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -4.043 7.619 9.320 1.00 0.00 H new ATOM 0 HZ PHE A 112 -6.072 7.261 7.971 1.00 0.00 H new ATOM 343 N LEU A 113 1.035 6.364 3.509 1.00 0.00 N ATOM 344 CA LEU A 113 2.421 6.180 3.095 1.00 0.00 C ATOM 345 C LEU A 113 3.366 6.236 4.293 1.00 0.00 C ATOM 346 O LEU A 113 3.190 7.049 5.202 1.00 0.00 O ATOM 347 CB LEU A 113 2.799 7.243 2.054 1.00 0.00 C ATOM 348 CG LEU A 113 4.198 7.111 1.437 1.00 0.00 C ATOM 349 CD1 LEU A 113 4.279 7.900 0.140 1.00 0.00 C ATOM 350 CD2 LEU A 113 5.264 7.593 2.407 1.00 0.00 C ATOM 0 H LEU A 113 0.537 7.089 2.993 1.00 0.00 H new ATOM 0 HA LEU A 113 2.520 5.192 2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 113 2.064 7.213 1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.720 8.225 2.521 1.00 0.00 H new ATOM 0 HG LEU A 113 4.377 6.057 1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.277 7.797 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 113 3.542 7.517 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.077 8.952 0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.247 7.490 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.086 8.640 2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.224 6.995 3.318 1.00 0.00 H new ATOM 362 N THR A 114 4.371 5.363 4.282 1.00 0.00 N ATOM 363 CA THR A 114 5.355 5.300 5.357 1.00 0.00 C ATOM 364 C THR A 114 6.679 4.747 4.831 1.00 0.00 C ATOM 365 O THR A 114 7.221 3.776 5.362 1.00 0.00 O ATOM 366 CB THR A 114 4.862 4.423 6.525 1.00 0.00 C ATOM 367 OG1 THR A 114 3.537 4.815 6.906 1.00 0.00 O ATOM 368 CG2 THR A 114 5.787 4.546 7.727 1.00 0.00 C ATOM 0 H THR A 114 4.525 4.686 3.535 1.00 0.00 H new ATOM 0 HA THR A 114 5.501 6.315 5.727 1.00 0.00 H new ATOM 0 HB THR A 114 4.858 3.386 6.190 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.230 4.253 7.647 1.00 0.00 H new ATOM 0 HG21 THR A 114 5.417 3.918 8.537 1.00 0.00 H new ATOM 0 HG22 THR A 114 6.791 4.225 7.448 1.00 0.00 H new ATOM 0 HG23 THR A 114 5.817 5.584 8.058 1.00 0.00 H new ATOM 376 N GLY A 115 7.185 5.374 3.772 1.00 0.00 N ATOM 377 CA GLY A 115 8.428 4.945 3.170 1.00 0.00 C ATOM 378 C GLY A 115 8.287 4.729 1.677 1.00 0.00 C ATOM 379 O GLY A 115 7.620 3.790 1.241 1.00 0.00 O ATOM 0 H GLY A 115 6.749 6.178 3.320 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.199 5.692 3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 115 8.759 4.020 3.641 1.00 0.00 H new ATOM 383 N GLY A 116 8.908 5.601 0.892 1.00 0.00 N ATOM 384 CA GLY A 116 8.828 5.484 -0.553 1.00 0.00 C ATOM 385 C GLY A 116 9.763 6.434 -1.278 1.00 0.00 C ATOM 386 O GLY A 116 9.343 7.155 -2.184 1.00 0.00 O ATOM 0 H GLY A 116 9.465 6.386 1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 116 9.064 4.460 -0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 116 7.804 5.678 -0.871 1.00 0.00 H new ATOM 390 N ASP A 117 11.033 6.432 -0.885 1.00 0.00 N ATOM 391 CA ASP A 117 12.031 7.296 -1.507 1.00 0.00 C ATOM 392 C ASP A 117 13.433 6.943 -1.020 1.00 0.00 C ATOM 393 O ASP A 117 14.262 7.824 -0.786 1.00 0.00 O ATOM 394 CB ASP A 117 11.726 8.765 -1.205 1.00 0.00 C ATOM 395 CG ASP A 117 11.731 9.064 0.282 1.00 0.00 C ATOM 396 OD1 ASP A 117 10.927 8.450 1.014 1.00 0.00 O ATOM 397 OD2 ASP A 117 12.538 9.914 0.714 1.00 0.00 O ATOM 0 H ASP A 117 11.396 5.841 -0.137 1.00 0.00 H new ATOM 0 HA ASP A 117 11.990 7.140 -2.585 1.00 0.00 H new ATOM 0 HB2 ASP A 117 12.463 9.396 -1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 117 10.753 9.024 -1.621 1.00 0.00 H new ATOM 402 N LEU A 118 13.691 5.646 -0.874 1.00 0.00 N ATOM 403 CA LEU A 118 14.984 5.155 -0.416 1.00 0.00 C ATOM 404 C LEU A 118 15.319 3.840 -1.099 1.00 0.00 C ATOM 405 O LEU A 118 14.422 3.107 -1.508 1.00 0.00 O ATOM 406 CB LEU A 118 14.994 4.944 1.107 1.00 0.00 C ATOM 407 CG LEU A 118 14.974 6.207 1.981 1.00 0.00 C ATOM 408 CD1 LEU A 118 16.027 7.203 1.516 1.00 0.00 C ATOM 409 CD2 LEU A 118 13.594 6.847 1.989 1.00 0.00 C ATOM 0 H LEU A 118 13.012 4.910 -1.069 1.00 0.00 H new ATOM 0 HA LEU A 118 15.730 5.907 -0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 118 14.130 4.334 1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 118 15.882 4.367 1.364 1.00 0.00 H new ATOM 0 HG LEU A 118 15.212 5.910 3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 118 15.994 8.089 2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 118 17.014 6.746 1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 118 15.827 7.488 0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 118 13.610 7.739 2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 118 13.315 7.123 0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 118 12.867 6.138 2.385 1.00 0.00 H new ATOM 421 N PRO A 119 16.622 3.529 -1.231 1.00 0.00 N ATOM 422 CA PRO A 119 17.085 2.296 -1.865 1.00 0.00 C ATOM 423 C PRO A 119 16.352 1.071 -1.328 1.00 0.00 C ATOM 424 O PRO A 119 16.858 0.365 -0.455 1.00 0.00 O ATOM 425 CB PRO A 119 18.581 2.229 -1.512 1.00 0.00 C ATOM 426 CG PRO A 119 18.825 3.339 -0.539 1.00 0.00 C ATOM 427 CD PRO A 119 17.744 4.354 -0.772 1.00 0.00 C ATOM 0 HA PRO A 119 16.900 2.299 -2.939 1.00 0.00 H new ATOM 0 HB2 PRO A 119 18.836 1.264 -1.075 1.00 0.00 H new ATOM 0 HB3 PRO A 119 19.198 2.348 -2.403 1.00 0.00 H new ATOM 0 HG2 PRO A 119 18.796 2.970 0.486 1.00 0.00 H new ATOM 0 HG3 PRO A 119 19.810 3.779 -0.692 1.00 0.00 H new ATOM 0 HD2 PRO A 119 17.499 4.901 0.138 1.00 0.00 H new ATOM 0 HD3 PRO A 119 18.036 5.093 -1.519 1.00 0.00 H new ATOM 435 N ALA A 120 15.149 0.841 -1.858 1.00 0.00 N ATOM 436 CA ALA A 120 14.307 -0.278 -1.452 1.00 0.00 C ATOM 437 C ALA A 120 13.668 -0.017 -0.093 1.00 0.00 C ATOM 438 O ALA A 120 12.492 -0.315 0.115 1.00 0.00 O ATOM 439 CB ALA A 120 15.101 -1.572 -1.436 1.00 0.00 C ATOM 0 H ALA A 120 14.734 1.428 -2.581 1.00 0.00 H new ATOM 0 HA ALA A 120 13.507 -0.380 -2.185 1.00 0.00 H new ATOM 0 HB1 ALA A 120 14.453 -2.393 -1.130 1.00 0.00 H new ATOM 0 HB2 ALA A 120 15.493 -1.771 -2.434 1.00 0.00 H new ATOM 0 HB3 ALA A 120 15.929 -1.482 -0.733 1.00 0.00 H new ATOM 445 N LEU A 121 14.444 0.553 0.825 1.00 0.00 N ATOM 446 CA LEU A 121 13.952 0.869 2.155 1.00 0.00 C ATOM 447 C LEU A 121 13.323 -0.357 2.813 1.00 0.00 C ATOM 448 O LEU A 121 12.147 -0.343 3.174 1.00 0.00 O ATOM 449 CB LEU A 121 12.942 2.018 2.085 1.00 0.00 C ATOM 450 CG LEU A 121 12.559 2.626 3.435 1.00 0.00 C ATOM 451 CD1 LEU A 121 13.810 3.042 4.197 1.00 0.00 C ATOM 452 CD2 LEU A 121 11.630 3.814 3.239 1.00 0.00 C ATOM 0 H LEU A 121 15.420 0.805 0.667 1.00 0.00 H new ATOM 0 HA LEU A 121 14.798 1.181 2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 121 13.353 2.805 1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 121 12.037 1.657 1.596 1.00 0.00 H new ATOM 0 HG LEU A 121 12.031 1.874 4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 121 13.525 3.474 5.156 1.00 0.00 H new ATOM 0 HD12 LEU A 121 14.441 2.169 4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 121 14.361 3.782 3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 121 11.367 4.235 4.210 1.00 0.00 H new ATOM 0 HD22 LEU A 121 12.132 4.573 2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 121 10.724 3.487 2.728 1.00 0.00 H new ATOM 464 N ASP A 122 14.119 -1.416 2.960 1.00 0.00 N ATOM 465 CA ASP A 122 13.647 -2.655 3.573 1.00 0.00 C ATOM 466 C ASP A 122 13.117 -2.390 4.979 1.00 0.00 C ATOM 467 O ASP A 122 13.836 -2.536 5.967 1.00 0.00 O ATOM 468 CB ASP A 122 14.778 -3.688 3.621 1.00 0.00 C ATOM 469 CG ASP A 122 14.323 -5.029 4.167 1.00 0.00 C ATOM 470 OD1 ASP A 122 13.895 -5.080 5.340 1.00 0.00 O ATOM 471 OD2 ASP A 122 14.396 -6.028 3.422 1.00 0.00 O ATOM 0 H ASP A 122 15.094 -1.439 2.662 1.00 0.00 H new ATOM 0 HA ASP A 122 12.834 -3.051 2.965 1.00 0.00 H new ATOM 0 HB2 ASP A 122 15.181 -3.827 2.618 1.00 0.00 H new ATOM 0 HB3 ASP A 122 15.589 -3.304 4.240 1.00 0.00 H new ATOM 476 N GLY A 123 11.854 -1.985 5.054 1.00 0.00 N ATOM 477 CA GLY A 123 11.236 -1.687 6.332 1.00 0.00 C ATOM 478 C GLY A 123 9.960 -0.887 6.170 1.00 0.00 C ATOM 479 O GLY A 123 9.002 -1.072 6.920 1.00 0.00 O ATOM 0 H GLY A 123 11.244 -1.857 4.247 1.00 0.00 H new ATOM 0 HA2 GLY A 123 11.017 -2.618 6.855 1.00 0.00 H new ATOM 0 HA3 GLY A 123 11.937 -1.130 6.953 1.00 0.00 H new ATOM 483 N ALA A 124 9.955 0.006 5.183 1.00 0.00 N ATOM 484 CA ALA A 124 8.799 0.848 4.903 1.00 0.00 C ATOM 485 C ALA A 124 7.524 0.019 4.810 1.00 0.00 C ATOM 486 O ALA A 124 7.562 -1.154 4.437 1.00 0.00 O ATOM 487 CB ALA A 124 9.014 1.623 3.613 1.00 0.00 C ATOM 0 H ALA A 124 10.747 0.164 4.560 1.00 0.00 H new ATOM 0 HA ALA A 124 8.686 1.552 5.728 1.00 0.00 H new ATOM 0 HB1 ALA A 124 8.143 2.248 3.415 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.898 2.253 3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.154 0.925 2.788 1.00 0.00 H new ATOM 493 N ARG A 125 6.396 0.630 5.157 1.00 0.00 N ATOM 494 CA ARG A 125 5.116 -0.065 5.115 1.00 0.00 C ATOM 495 C ARG A 125 3.958 0.918 5.013 1.00 0.00 C ATOM 496 O ARG A 125 3.741 1.734 5.908 1.00 0.00 O ATOM 497 CB ARG A 125 4.954 -0.927 6.367 1.00 0.00 C ATOM 498 CG ARG A 125 3.669 -1.740 6.391 1.00 0.00 C ATOM 499 CD ARG A 125 3.572 -2.585 7.650 1.00 0.00 C ATOM 500 NE ARG A 125 3.571 -1.765 8.860 1.00 0.00 N ATOM 501 CZ ARG A 125 3.543 -2.267 10.091 1.00 0.00 C ATOM 502 NH1 ARG A 125 3.526 -3.580 10.276 1.00 0.00 N ATOM 503 NH2 ARG A 125 3.535 -1.455 11.139 1.00 0.00 N ATOM 0 H ARG A 125 6.343 1.600 5.469 1.00 0.00 H new ATOM 0 HA ARG A 125 5.103 -0.699 4.229 1.00 0.00 H new ATOM 0 HB2 ARG A 125 5.804 -1.606 6.442 1.00 0.00 H new ATOM 0 HB3 ARG A 125 4.982 -0.283 7.246 1.00 0.00 H new ATOM 0 HG2 ARG A 125 2.811 -1.070 6.334 1.00 0.00 H new ATOM 0 HG3 ARG A 125 3.628 -2.385 5.514 1.00 0.00 H new ATOM 0 HD2 ARG A 125 2.661 -3.183 7.616 1.00 0.00 H new ATOM 0 HD3 ARG A 125 4.410 -3.282 7.685 1.00 0.00 H new ATOM 0 HE ARG A 125 3.593 -0.751 8.754 1.00 0.00 H new ATOM 0 HH11 ARG A 125 3.534 -4.208 9.473 1.00 0.00 H new ATOM 0 HH12 ARG A 125 3.505 -3.962 11.222 1.00 0.00 H new ATOM 0 HH21 ARG A 125 3.550 -0.444 11.001 1.00 0.00 H new ATOM 0 HH22 ARG A 125 3.513 -1.841 12.083 1.00 0.00 H new ATOM 517 N VAL A 126 3.208 0.826 3.920 1.00 0.00 N ATOM 518 CA VAL A 126 2.063 1.699 3.705 1.00 0.00 C ATOM 519 C VAL A 126 0.767 1.002 4.105 1.00 0.00 C ATOM 520 O VAL A 126 0.536 -0.157 3.747 1.00 0.00 O ATOM 521 CB VAL A 126 1.962 2.152 2.236 1.00 0.00 C ATOM 522 CG1 VAL A 126 3.152 3.022 1.863 1.00 0.00 C ATOM 523 CG2 VAL A 126 1.860 0.951 1.307 1.00 0.00 C ATOM 0 H VAL A 126 3.374 0.155 3.170 1.00 0.00 H new ATOM 0 HA VAL A 126 2.212 2.578 4.332 1.00 0.00 H new ATOM 0 HB VAL A 126 1.055 2.746 2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 126 3.064 3.333 0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 126 3.173 3.903 2.504 1.00 0.00 H new ATOM 0 HG13 VAL A 126 4.073 2.455 1.995 1.00 0.00 H new ATOM 0 HG21 VAL A 126 1.790 1.294 0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 126 2.745 0.326 1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 126 0.972 0.371 1.558 1.00 0.00 H new ATOM 533 N GLU A 127 -0.076 1.713 4.850 1.00 0.00 N ATOM 534 CA GLU A 127 -1.348 1.161 5.296 1.00 0.00 C ATOM 535 C GLU A 127 -2.464 1.501 4.314 1.00 0.00 C ATOM 536 O GLU A 127 -2.805 2.666 4.123 1.00 0.00 O ATOM 537 CB GLU A 127 -1.697 1.686 6.688 1.00 0.00 C ATOM 538 CG GLU A 127 -0.708 1.257 7.758 1.00 0.00 C ATOM 539 CD GLU A 127 -1.038 1.829 9.123 1.00 0.00 C ATOM 540 OE1 GLU A 127 -1.066 3.070 9.258 1.00 0.00 O ATOM 541 OE2 GLU A 127 -1.271 1.034 10.059 1.00 0.00 O ATOM 0 H GLU A 127 0.100 2.670 5.156 1.00 0.00 H new ATOM 0 HA GLU A 127 -1.248 0.077 5.341 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -1.739 2.775 6.658 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -2.692 1.336 6.962 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -0.694 0.169 7.818 1.00 0.00 H new ATOM 0 HG3 GLU A 127 0.294 1.573 7.469 1.00 0.00 H new ATOM 548 N PHE A 128 -3.029 0.472 3.699 1.00 0.00 N ATOM 549 CA PHE A 128 -4.111 0.650 2.737 1.00 0.00 C ATOM 550 C PHE A 128 -5.428 0.947 3.445 1.00 0.00 C ATOM 551 O PHE A 128 -5.647 0.512 4.575 1.00 0.00 O ATOM 552 CB PHE A 128 -4.258 -0.592 1.854 1.00 0.00 C ATOM 553 CG PHE A 128 -3.076 -0.849 0.962 1.00 0.00 C ATOM 554 CD1 PHE A 128 -1.819 -1.080 1.499 1.00 0.00 C ATOM 555 CD2 PHE A 128 -3.225 -0.864 -0.415 1.00 0.00 C ATOM 556 CE1 PHE A 128 -0.733 -1.320 0.678 1.00 0.00 C ATOM 557 CE2 PHE A 128 -2.142 -1.103 -1.241 1.00 0.00 C ATOM 558 CZ PHE A 128 -0.896 -1.331 -0.694 1.00 0.00 C ATOM 0 H PHE A 128 -2.756 -0.499 3.849 1.00 0.00 H new ATOM 0 HA PHE A 128 -3.859 1.502 2.106 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.416 -1.462 2.491 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -5.150 -0.483 1.237 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -1.687 -1.072 2.571 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -4.198 -0.687 -0.849 1.00 0.00 H new ATOM 0 HE1 PHE A 128 0.241 -1.499 1.108 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -2.271 -1.111 -2.313 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.049 -1.518 -1.338 1.00 0.00 H new ATOM 568 N ARG A 129 -6.302 1.688 2.771 1.00 0.00 N ATOM 569 CA ARG A 129 -7.600 2.041 3.337 1.00 0.00 C ATOM 570 C ARG A 129 -8.591 2.414 2.241 1.00 0.00 C ATOM 571 O ARG A 129 -8.282 3.204 1.350 1.00 0.00 O ATOM 572 CB ARG A 129 -7.454 3.204 4.321 1.00 0.00 C ATOM 573 CG ARG A 129 -8.772 3.644 4.938 1.00 0.00 C ATOM 574 CD ARG A 129 -9.411 2.526 5.748 1.00 0.00 C ATOM 575 NE ARG A 129 -10.736 2.893 6.243 1.00 0.00 N ATOM 576 CZ ARG A 129 -10.962 3.903 7.079 1.00 0.00 C ATOM 577 NH1 ARG A 129 -9.955 4.642 7.527 1.00 0.00 N ATOM 578 NH2 ARG A 129 -12.200 4.175 7.469 1.00 0.00 N ATOM 0 H ARG A 129 -6.136 2.055 1.834 1.00 0.00 H new ATOM 0 HA ARG A 129 -7.982 1.169 3.867 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.769 2.913 5.117 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -7.002 4.051 3.805 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -8.603 4.509 5.580 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -9.456 3.960 4.150 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -9.490 1.631 5.130 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -8.766 2.276 6.591 1.00 0.00 H new ATOM 0 HE ARG A 129 -11.535 2.342 5.929 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -9.001 4.437 7.231 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -10.135 5.415 8.168 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -12.978 3.610 7.128 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -12.374 4.949 8.110 1.00 0.00 H new ATOM 592 N CYS A 130 -9.786 1.836 2.316 1.00 0.00 N ATOM 593 CA CYS A 130 -10.833 2.100 1.335 1.00 0.00 C ATOM 594 C CYS A 130 -11.706 3.277 1.764 1.00 0.00 C ATOM 595 O CYS A 130 -11.808 3.589 2.951 1.00 0.00 O ATOM 596 CB CYS A 130 -11.699 0.856 1.134 1.00 0.00 C ATOM 597 SG CYS A 130 -10.783 -0.603 0.540 1.00 0.00 S ATOM 0 H CYS A 130 -10.054 1.179 3.049 1.00 0.00 H new ATOM 0 HA CYS A 130 -10.351 2.357 0.392 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -12.183 0.607 2.078 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -12.490 1.089 0.422 1.00 0.00 H new ATOM 602 N ASP A 131 -12.336 3.921 0.786 1.00 0.00 N ATOM 603 CA ASP A 131 -13.212 5.062 1.043 1.00 0.00 C ATOM 604 C ASP A 131 -14.268 4.723 2.095 1.00 0.00 C ATOM 605 O ASP A 131 -14.568 3.551 2.319 1.00 0.00 O ATOM 606 CB ASP A 131 -13.892 5.503 -0.255 1.00 0.00 C ATOM 607 CG ASP A 131 -12.918 6.123 -1.240 1.00 0.00 C ATOM 608 OD1 ASP A 131 -11.719 6.229 -0.905 1.00 0.00 O ATOM 609 OD2 ASP A 131 -13.358 6.508 -2.344 1.00 0.00 O ATOM 0 H ASP A 131 -12.256 3.670 -0.199 1.00 0.00 H new ATOM 0 HA ASP A 131 -12.600 5.878 1.427 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -14.375 4.643 -0.719 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -14.677 6.223 -0.024 1.00 0.00 H new ATOM 614 N PRO A 132 -14.839 5.750 2.761 1.00 0.00 N ATOM 615 CA PRO A 132 -15.867 5.565 3.800 1.00 0.00 C ATOM 616 C PRO A 132 -17.176 5.006 3.243 1.00 0.00 C ATOM 617 O PRO A 132 -18.219 5.657 3.304 1.00 0.00 O ATOM 618 CB PRO A 132 -16.082 6.978 4.351 1.00 0.00 C ATOM 619 CG PRO A 132 -15.652 7.884 3.250 1.00 0.00 C ATOM 620 CD PRO A 132 -14.522 7.177 2.556 1.00 0.00 C ATOM 0 HA PRO A 132 -15.550 4.842 4.552 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -17.126 7.145 4.616 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -15.494 7.145 5.253 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -16.473 8.079 2.561 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -15.328 8.849 3.641 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -14.478 7.431 1.497 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -13.557 7.441 2.988 1.00 0.00 H new ATOM 628 N ASP A 133 -17.106 3.794 2.704 1.00 0.00 N ATOM 629 CA ASP A 133 -18.263 3.121 2.130 1.00 0.00 C ATOM 630 C ASP A 133 -17.868 1.724 1.662 1.00 0.00 C ATOM 631 O ASP A 133 -18.679 0.798 1.671 1.00 0.00 O ATOM 632 CB ASP A 133 -18.858 3.944 0.981 1.00 0.00 C ATOM 633 CG ASP A 133 -17.832 4.331 -0.065 1.00 0.00 C ATOM 634 OD1 ASP A 133 -16.783 4.892 0.311 1.00 0.00 O ATOM 635 OD2 ASP A 133 -18.088 4.094 -1.263 1.00 0.00 O ATOM 0 H ASP A 133 -16.244 3.251 2.653 1.00 0.00 H new ATOM 0 HA ASP A 133 -19.033 3.025 2.896 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -19.654 3.371 0.506 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -19.313 4.847 1.387 1.00 0.00 H new ATOM 640 N PHE A 134 -16.603 1.578 1.277 1.00 0.00 N ATOM 641 CA PHE A 134 -16.071 0.293 0.833 1.00 0.00 C ATOM 642 C PHE A 134 -15.115 -0.274 1.877 1.00 0.00 C ATOM 643 O PHE A 134 -14.332 0.461 2.478 1.00 0.00 O ATOM 644 CB PHE A 134 -15.348 0.436 -0.511 1.00 0.00 C ATOM 645 CG PHE A 134 -16.269 0.512 -1.697 1.00 0.00 C ATOM 646 CD1 PHE A 134 -17.346 1.381 -1.705 1.00 0.00 C ATOM 647 CD2 PHE A 134 -16.057 -0.296 -2.803 1.00 0.00 C ATOM 648 CE1 PHE A 134 -18.194 1.446 -2.795 1.00 0.00 C ATOM 649 CE2 PHE A 134 -16.900 -0.236 -3.895 1.00 0.00 C ATOM 650 CZ PHE A 134 -17.972 0.636 -3.891 1.00 0.00 C ATOM 0 H PHE A 134 -15.924 2.339 1.264 1.00 0.00 H new ATOM 0 HA PHE A 134 -16.908 -0.393 0.705 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -14.730 1.334 -0.486 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -14.674 -0.411 -0.641 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -17.526 2.016 -0.850 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -15.222 -0.981 -2.811 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -19.030 2.130 -2.789 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -16.722 -0.870 -4.751 1.00 0.00 H new ATOM 0 HZ PHE A 134 -18.634 0.684 -4.743 1.00 0.00 H new ATOM 660 N HIS A 135 -15.187 -1.584 2.096 1.00 0.00 N ATOM 661 CA HIS A 135 -14.329 -2.242 3.077 1.00 0.00 C ATOM 662 C HIS A 135 -13.182 -2.986 2.396 1.00 0.00 C ATOM 663 O HIS A 135 -13.387 -3.710 1.422 1.00 0.00 O ATOM 664 CB HIS A 135 -15.148 -3.207 3.936 1.00 0.00 C ATOM 665 CG HIS A 135 -15.913 -4.220 3.142 1.00 0.00 C ATOM 666 ND1 HIS A 135 -16.872 -3.877 2.212 1.00 0.00 N ATOM 667 CD2 HIS A 135 -15.861 -5.573 3.144 1.00 0.00 C ATOM 668 CE1 HIS A 135 -17.377 -4.975 1.677 1.00 0.00 C ATOM 669 NE2 HIS A 135 -16.780 -6.017 2.226 1.00 0.00 N ATOM 0 H HIS A 135 -15.829 -2.210 1.609 1.00 0.00 H new ATOM 0 HA HIS A 135 -13.900 -1.472 3.719 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -14.479 -3.726 4.622 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -15.846 -2.633 4.545 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -15.216 -6.188 3.754 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -18.146 -5.013 0.920 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -16.971 -6.994 2.004 1.00 0.00 H new ATOM 678 N LEU A 136 -11.973 -2.796 2.920 1.00 0.00 N ATOM 679 CA LEU A 136 -10.784 -3.441 2.371 1.00 0.00 C ATOM 680 C LEU A 136 -10.729 -4.913 2.773 1.00 0.00 C ATOM 681 O LEU A 136 -10.905 -5.254 3.942 1.00 0.00 O ATOM 682 CB LEU A 136 -9.527 -2.716 2.853 1.00 0.00 C ATOM 683 CG LEU A 136 -8.212 -3.211 2.247 1.00 0.00 C ATOM 684 CD1 LEU A 136 -8.256 -3.128 0.729 1.00 0.00 C ATOM 685 CD2 LEU A 136 -7.047 -2.402 2.792 1.00 0.00 C ATOM 0 H LEU A 136 -11.791 -2.199 3.727 1.00 0.00 H new ATOM 0 HA LEU A 136 -10.834 -3.386 1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -9.633 -1.654 2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -9.466 -2.811 3.937 1.00 0.00 H new ATOM 0 HG LEU A 136 -8.073 -4.255 2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -7.312 -3.484 0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -9.072 -3.746 0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -8.416 -2.093 0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -6.117 -2.763 2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.184 -1.351 2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -7.004 -2.511 3.876 1.00 0.00 H new ATOM 697 N VAL A 137 -10.494 -5.784 1.792 1.00 0.00 N ATOM 698 CA VAL A 137 -10.429 -7.221 2.046 1.00 0.00 C ATOM 699 C VAL A 137 -9.249 -7.873 1.322 1.00 0.00 C ATOM 700 O VAL A 137 -9.445 -8.656 0.392 1.00 0.00 O ATOM 701 CB VAL A 137 -11.729 -7.919 1.604 1.00 0.00 C ATOM 702 CG1 VAL A 137 -11.731 -9.380 2.036 1.00 0.00 C ATOM 703 CG2 VAL A 137 -12.947 -7.192 2.155 1.00 0.00 C ATOM 0 H VAL A 137 -10.346 -5.520 0.818 1.00 0.00 H new ATOM 0 HA VAL A 137 -10.294 -7.341 3.121 1.00 0.00 H new ATOM 0 HB VAL A 137 -11.778 -7.886 0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -12.658 -9.854 1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -10.884 -9.895 1.582 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -11.652 -9.439 3.122 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -13.853 -7.703 1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -12.905 -7.185 3.244 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -12.956 -6.166 1.786 1.00 0.00 H new ATOM 713 N GLY A 138 -8.026 -7.556 1.741 1.00 0.00 N ATOM 714 CA GLY A 138 -6.866 -8.145 1.096 1.00 0.00 C ATOM 715 C GLY A 138 -5.554 -7.672 1.684 1.00 0.00 C ATOM 716 O GLY A 138 -5.379 -7.669 2.901 1.00 0.00 O ATOM 0 H GLY A 138 -7.820 -6.912 2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -6.924 -9.230 1.179 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -6.888 -7.905 0.033 1.00 0.00 H new ATOM 720 N SER A 139 -4.631 -7.276 0.809 1.00 0.00 N ATOM 721 CA SER A 139 -3.323 -6.793 1.221 1.00 0.00 C ATOM 722 C SER A 139 -3.437 -5.418 1.869 1.00 0.00 C ATOM 723 O SER A 139 -2.912 -4.428 1.358 1.00 0.00 O ATOM 724 CB SER A 139 -2.396 -6.735 0.011 1.00 0.00 C ATOM 725 OG SER A 139 -2.948 -5.926 -1.012 1.00 0.00 O ATOM 0 H SER A 139 -4.772 -7.282 -0.201 1.00 0.00 H new ATOM 0 HA SER A 139 -2.908 -7.481 1.958 1.00 0.00 H new ATOM 0 HB2 SER A 139 -1.426 -6.338 0.310 1.00 0.00 H new ATOM 0 HB3 SER A 139 -2.225 -7.742 -0.369 1.00 0.00 H new ATOM 0 HG SER A 139 -2.246 -5.681 -1.650 1.00 0.00 H new ATOM 731 N SER A 140 -4.142 -5.368 2.991 1.00 0.00 N ATOM 732 CA SER A 140 -4.362 -4.136 3.722 1.00 0.00 C ATOM 733 C SER A 140 -3.048 -3.446 4.085 1.00 0.00 C ATOM 734 O SER A 140 -3.030 -2.248 4.366 1.00 0.00 O ATOM 735 CB SER A 140 -5.173 -4.441 4.978 1.00 0.00 C ATOM 736 OG SER A 140 -4.461 -5.300 5.852 1.00 0.00 O ATOM 0 H SER A 140 -4.577 -6.186 3.418 1.00 0.00 H new ATOM 0 HA SER A 140 -4.914 -3.448 3.082 1.00 0.00 H new ATOM 0 HB2 SER A 140 -5.413 -3.511 5.494 1.00 0.00 H new ATOM 0 HB3 SER A 140 -6.119 -4.905 4.699 1.00 0.00 H new ATOM 0 HG SER A 140 -5.003 -5.478 6.649 1.00 0.00 H new ATOM 742 N ARG A 141 -1.952 -4.199 4.084 1.00 0.00 N ATOM 743 CA ARG A 141 -0.643 -3.640 4.418 1.00 0.00 C ATOM 744 C ARG A 141 0.447 -4.216 3.519 1.00 0.00 C ATOM 745 O ARG A 141 0.482 -5.420 3.266 1.00 0.00 O ATOM 746 CB ARG A 141 -0.305 -3.918 5.883 1.00 0.00 C ATOM 747 CG ARG A 141 -1.306 -3.333 6.864 1.00 0.00 C ATOM 748 CD ARG A 141 -0.939 -3.667 8.300 1.00 0.00 C ATOM 749 NE ARG A 141 -0.874 -5.108 8.524 1.00 0.00 N ATOM 750 CZ ARG A 141 -0.571 -5.660 9.695 1.00 0.00 C ATOM 751 NH1 ARG A 141 -0.307 -4.894 10.745 1.00 0.00 N ATOM 752 NH2 ARG A 141 -0.532 -6.981 9.817 1.00 0.00 N ATOM 0 H ARG A 141 -1.942 -5.193 3.857 1.00 0.00 H new ATOM 0 HA ARG A 141 -0.689 -2.563 4.257 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -0.249 -4.996 6.035 1.00 0.00 H new ATOM 0 HB3 ARG A 141 0.683 -3.513 6.101 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -1.348 -2.251 6.740 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -2.301 -3.718 6.643 1.00 0.00 H new ATOM 0 HD2 ARG A 141 0.024 -3.218 8.542 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -1.674 -3.228 8.974 1.00 0.00 H new ATOM 0 HE ARG A 141 -1.072 -5.727 7.738 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -0.336 -3.878 10.656 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -0.075 -5.321 11.642 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -0.735 -7.574 9.012 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -0.299 -7.404 10.716 1.00 0.00 H new ATOM 766 N SER A 142 1.339 -3.347 3.044 1.00 0.00 N ATOM 767 CA SER A 142 2.435 -3.772 2.174 1.00 0.00 C ATOM 768 C SER A 142 3.770 -3.239 2.688 1.00 0.00 C ATOM 769 O SER A 142 3.875 -2.078 3.082 1.00 0.00 O ATOM 770 CB SER A 142 2.197 -3.283 0.744 1.00 0.00 C ATOM 771 OG SER A 142 0.999 -3.821 0.214 1.00 0.00 O ATOM 0 H SER A 142 1.324 -2.347 3.246 1.00 0.00 H new ATOM 0 HA SER A 142 2.470 -4.861 2.178 1.00 0.00 H new ATOM 0 HB2 SER A 142 2.147 -2.194 0.732 1.00 0.00 H new ATOM 0 HB3 SER A 142 3.038 -3.570 0.113 1.00 0.00 H new ATOM 0 HG SER A 142 0.913 -4.759 0.485 1.00 0.00 H new ATOM 777 N VAL A 143 4.788 -4.097 2.684 1.00 0.00 N ATOM 778 CA VAL A 143 6.116 -3.712 3.153 1.00 0.00 C ATOM 779 C VAL A 143 7.149 -3.810 2.033 1.00 0.00 C ATOM 780 O VAL A 143 7.209 -4.809 1.317 1.00 0.00 O ATOM 781 CB VAL A 143 6.568 -4.596 4.333 1.00 0.00 C ATOM 782 CG1 VAL A 143 7.962 -4.201 4.798 1.00 0.00 C ATOM 783 CG2 VAL A 143 5.573 -4.505 5.479 1.00 0.00 C ATOM 0 H VAL A 143 4.718 -5.062 2.361 1.00 0.00 H new ATOM 0 HA VAL A 143 6.047 -2.676 3.486 1.00 0.00 H new ATOM 0 HB VAL A 143 6.604 -5.631 3.992 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.262 -4.837 5.631 1.00 0.00 H new ATOM 0 HG12 VAL A 143 8.668 -4.323 3.976 1.00 0.00 H new ATOM 0 HG13 VAL A 143 7.957 -3.160 5.120 1.00 0.00 H new ATOM 0 HG21 VAL A 143 5.908 -5.135 6.303 1.00 0.00 H new ATOM 0 HG22 VAL A 143 5.502 -3.472 5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 143 4.594 -4.843 5.139 1.00 0.00 H new ATOM 793 N CYS A 144 7.962 -2.767 1.891 1.00 0.00 N ATOM 794 CA CYS A 144 8.997 -2.736 0.860 1.00 0.00 C ATOM 795 C CYS A 144 9.988 -3.880 1.036 1.00 0.00 C ATOM 796 O CYS A 144 10.343 -4.241 2.159 1.00 0.00 O ATOM 797 CB CYS A 144 9.750 -1.406 0.893 1.00 0.00 C ATOM 798 SG CYS A 144 8.731 0.055 0.513 1.00 0.00 S ATOM 0 H CYS A 144 7.925 -1.932 2.476 1.00 0.00 H new ATOM 0 HA CYS A 144 8.500 -2.848 -0.104 1.00 0.00 H new ATOM 0 HB2 CYS A 144 10.190 -1.278 1.882 1.00 0.00 H new ATOM 0 HB3 CYS A 144 10.574 -1.453 0.181 1.00 0.00 H new ATOM 803 N SER A 145 10.441 -4.439 -0.082 1.00 0.00 N ATOM 804 CA SER A 145 11.404 -5.535 -0.061 1.00 0.00 C ATOM 805 C SER A 145 11.877 -5.865 -1.474 1.00 0.00 C ATOM 806 O SER A 145 11.078 -6.223 -2.337 1.00 0.00 O ATOM 807 CB SER A 145 10.783 -6.777 0.582 1.00 0.00 C ATOM 808 OG SER A 145 11.700 -7.857 0.596 1.00 0.00 O ATOM 0 H SER A 145 10.155 -4.150 -1.017 1.00 0.00 H new ATOM 0 HA SER A 145 12.264 -5.220 0.531 1.00 0.00 H new ATOM 0 HB2 SER A 145 10.473 -6.546 1.601 1.00 0.00 H new ATOM 0 HB3 SER A 145 9.886 -7.065 0.033 1.00 0.00 H new ATOM 0 HG SER A 145 11.280 -8.638 1.013 1.00 0.00 H new ATOM 814 N GLN A 146 13.181 -5.744 -1.705 1.00 0.00 N ATOM 815 CA GLN A 146 13.753 -6.029 -3.016 1.00 0.00 C ATOM 816 C GLN A 146 13.115 -5.148 -4.089 1.00 0.00 C ATOM 817 O GLN A 146 12.795 -5.615 -5.183 1.00 0.00 O ATOM 818 CB GLN A 146 13.564 -7.505 -3.372 1.00 0.00 C ATOM 819 CG GLN A 146 14.207 -8.459 -2.377 1.00 0.00 C ATOM 820 CD GLN A 146 13.982 -9.915 -2.736 1.00 0.00 C ATOM 821 OE1 GLN A 146 12.844 -10.377 -2.817 1.00 0.00 O ATOM 822 NE2 GLN A 146 15.070 -10.645 -2.954 1.00 0.00 N ATOM 0 H GLN A 146 13.860 -5.451 -1.003 1.00 0.00 H new ATOM 0 HA GLN A 146 14.820 -5.809 -2.975 1.00 0.00 H new ATOM 0 HB2 GLN A 146 12.497 -7.722 -3.433 1.00 0.00 H new ATOM 0 HB3 GLN A 146 13.984 -7.688 -4.361 1.00 0.00 H new ATOM 0 HG2 GLN A 146 15.278 -8.262 -2.330 1.00 0.00 H new ATOM 0 HG3 GLN A 146 13.804 -8.267 -1.383 1.00 0.00 H new ATOM 0 HE21 GLN A 146 15.994 -10.220 -2.876 1.00 0.00 H new ATOM 0 HE22 GLN A 146 14.982 -11.631 -3.200 1.00 0.00 H new ATOM 831 N GLY A 147 12.930 -3.870 -3.766 1.00 0.00 N ATOM 832 CA GLY A 147 12.330 -2.939 -4.708 1.00 0.00 C ATOM 833 C GLY A 147 10.889 -3.289 -5.040 1.00 0.00 C ATOM 834 O GLY A 147 10.311 -2.734 -5.976 1.00 0.00 O ATOM 0 H GLY A 147 13.185 -3.462 -2.867 1.00 0.00 H new ATOM 0 HA2 GLY A 147 12.369 -1.932 -4.292 1.00 0.00 H new ATOM 0 HA3 GLY A 147 12.918 -2.928 -5.626 1.00 0.00 H new ATOM 838 N GLN A 148 10.309 -4.212 -4.276 1.00 0.00 N ATOM 839 CA GLN A 148 8.928 -4.636 -4.498 1.00 0.00 C ATOM 840 C GLN A 148 8.211 -4.903 -3.176 1.00 0.00 C ATOM 841 O GLN A 148 8.761 -5.538 -2.278 1.00 0.00 O ATOM 842 CB GLN A 148 8.898 -5.890 -5.374 1.00 0.00 C ATOM 843 CG GLN A 148 7.502 -6.451 -5.596 1.00 0.00 C ATOM 844 CD GLN A 148 7.497 -7.649 -6.525 1.00 0.00 C ATOM 845 OE1 GLN A 148 7.873 -7.544 -7.692 1.00 0.00 O ATOM 846 NE2 GLN A 148 7.073 -8.797 -6.010 1.00 0.00 N ATOM 0 H GLN A 148 10.773 -4.681 -3.498 1.00 0.00 H new ATOM 0 HA GLN A 148 8.405 -3.828 -5.009 1.00 0.00 H new ATOM 0 HB2 GLN A 148 9.344 -5.657 -6.341 1.00 0.00 H new ATOM 0 HB3 GLN A 148 9.519 -6.658 -4.914 1.00 0.00 H new ATOM 0 HG2 GLN A 148 7.073 -6.738 -4.636 1.00 0.00 H new ATOM 0 HG3 GLN A 148 6.863 -5.672 -6.011 1.00 0.00 H new ATOM 0 HE21 GLN A 148 6.770 -8.838 -5.037 1.00 0.00 H new ATOM 0 HE22 GLN A 148 7.050 -9.637 -6.588 1.00 0.00 H new ATOM 855 N TRP A 149 6.978 -4.421 -3.061 1.00 0.00 N ATOM 856 CA TRP A 149 6.197 -4.622 -1.844 1.00 0.00 C ATOM 857 C TRP A 149 5.846 -6.095 -1.667 1.00 0.00 C ATOM 858 O TRP A 149 5.566 -6.796 -2.640 1.00 0.00 O ATOM 859 CB TRP A 149 4.924 -3.777 -1.874 1.00 0.00 C ATOM 860 CG TRP A 149 5.189 -2.318 -2.082 1.00 0.00 C ATOM 861 CD1 TRP A 149 5.471 -1.698 -3.264 1.00 0.00 C ATOM 862 CD2 TRP A 149 5.226 -1.300 -1.076 1.00 0.00 C ATOM 863 NE1 TRP A 149 5.660 -0.354 -3.059 1.00 0.00 N ATOM 864 CE2 TRP A 149 5.518 -0.085 -1.723 1.00 0.00 C ATOM 865 CE3 TRP A 149 5.033 -1.297 0.307 1.00 0.00 C ATOM 866 CZ2 TRP A 149 5.623 1.120 -1.033 1.00 0.00 C ATOM 867 CZ3 TRP A 149 5.138 -0.101 0.991 1.00 0.00 C ATOM 868 CH2 TRP A 149 5.431 1.092 0.321 1.00 0.00 C ATOM 0 H TRP A 149 6.500 -3.892 -3.790 1.00 0.00 H new ATOM 0 HA TRP A 149 6.805 -4.305 -0.996 1.00 0.00 H new ATOM 0 HB2 TRP A 149 4.274 -4.139 -2.671 1.00 0.00 H new ATOM 0 HB3 TRP A 149 4.384 -3.912 -0.937 1.00 0.00 H new ATOM 0 HD1 TRP A 149 5.536 -2.193 -4.222 1.00 0.00 H new ATOM 0 HE1 TRP A 149 5.872 0.333 -3.783 1.00 0.00 H new ATOM 0 HE3 TRP A 149 4.806 -2.213 0.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 5.848 2.042 -1.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 4.991 -0.087 2.061 1.00 0.00 H new ATOM 0 HH2 TRP A 149 5.507 2.010 0.885 1.00 0.00 H new ATOM 879 N SER A 150 5.870 -6.559 -0.421 1.00 0.00 N ATOM 880 CA SER A 150 5.560 -7.952 -0.117 1.00 0.00 C ATOM 881 C SER A 150 4.193 -8.339 -0.671 1.00 0.00 C ATOM 882 O SER A 150 4.079 -9.273 -1.466 1.00 0.00 O ATOM 883 CB SER A 150 5.596 -8.186 1.394 1.00 0.00 C ATOM 884 OG SER A 150 6.871 -7.874 1.929 1.00 0.00 O ATOM 0 H SER A 150 6.101 -5.991 0.394 1.00 0.00 H new ATOM 0 HA SER A 150 6.315 -8.578 -0.593 1.00 0.00 H new ATOM 0 HB2 SER A 150 4.835 -7.573 1.878 1.00 0.00 H new ATOM 0 HB3 SER A 150 5.352 -9.226 1.610 1.00 0.00 H new ATOM 0 HG SER A 150 7.018 -6.906 1.881 1.00 0.00 H new ATOM 890 N THR A 151 3.160 -7.614 -0.256 1.00 0.00 N ATOM 891 CA THR A 151 1.806 -7.886 -0.724 1.00 0.00 C ATOM 892 C THR A 151 1.419 -6.930 -1.850 1.00 0.00 C ATOM 893 O THR A 151 1.639 -5.723 -1.749 1.00 0.00 O ATOM 894 CB THR A 151 0.782 -7.762 0.417 1.00 0.00 C ATOM 895 OG1 THR A 151 0.780 -6.427 0.930 1.00 0.00 O ATOM 896 CG2 THR A 151 1.098 -8.742 1.537 1.00 0.00 C ATOM 0 H THR A 151 3.234 -6.837 0.401 1.00 0.00 H new ATOM 0 HA THR A 151 1.795 -8.910 -1.097 1.00 0.00 H new ATOM 0 HB THR A 151 -0.204 -7.998 0.018 1.00 0.00 H new ATOM 0 HG1 THR A 151 0.807 -6.453 1.909 1.00 0.00 H new ATOM 0 HG21 THR A 151 0.360 -8.636 2.332 1.00 0.00 H new ATOM 0 HG22 THR A 151 1.069 -9.760 1.149 1.00 0.00 H new ATOM 0 HG23 THR A 151 2.092 -8.533 1.933 1.00 0.00 H new ATOM 904 N PRO A 152 0.833 -7.454 -2.941 1.00 0.00 N ATOM 905 CA PRO A 152 0.418 -6.629 -4.081 1.00 0.00 C ATOM 906 C PRO A 152 -0.727 -5.688 -3.726 1.00 0.00 C ATOM 907 O PRO A 152 -0.973 -5.410 -2.552 1.00 0.00 O ATOM 908 CB PRO A 152 -0.036 -7.657 -5.123 1.00 0.00 C ATOM 909 CG PRO A 152 -0.400 -8.867 -4.333 1.00 0.00 C ATOM 910 CD PRO A 152 0.527 -8.882 -3.150 1.00 0.00 C ATOM 0 HA PRO A 152 1.223 -5.981 -4.428 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -0.887 -7.289 -5.697 1.00 0.00 H new ATOM 0 HB3 PRO A 152 0.759 -7.875 -5.836 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -1.441 -8.826 -4.013 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -0.286 -9.772 -4.930 1.00 0.00 H new ATOM 0 HD2 PRO A 152 0.054 -9.324 -2.274 1.00 0.00 H new ATOM 0 HD3 PRO A 152 1.428 -9.461 -3.352 1.00 0.00 H new ATOM 918 N LYS A 153 -1.428 -5.206 -4.746 1.00 0.00 N ATOM 919 CA LYS A 153 -2.554 -4.300 -4.542 1.00 0.00 C ATOM 920 C LYS A 153 -3.837 -5.082 -4.262 1.00 0.00 C ATOM 921 O LYS A 153 -4.175 -6.014 -4.993 1.00 0.00 O ATOM 922 CB LYS A 153 -2.736 -3.401 -5.767 1.00 0.00 C ATOM 923 CG LYS A 153 -1.627 -2.373 -5.943 1.00 0.00 C ATOM 924 CD LYS A 153 -1.564 -1.392 -4.776 1.00 0.00 C ATOM 925 CE LYS A 153 -2.781 -0.474 -4.729 1.00 0.00 C ATOM 926 NZ LYS A 153 -4.039 -1.217 -4.444 1.00 0.00 N ATOM 0 H LYS A 153 -1.237 -5.427 -5.723 1.00 0.00 H new ATOM 0 HA LYS A 153 -2.340 -3.676 -3.675 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -2.786 -4.024 -6.660 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -3.691 -2.882 -5.687 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -0.670 -2.886 -6.037 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -1.787 -1.823 -6.870 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -1.493 -1.947 -3.840 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -0.659 -0.789 -4.858 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -2.630 0.287 -3.963 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -2.877 0.047 -5.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -4.678 -1.143 -5.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -3.818 -2.218 -4.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -4.500 -0.810 -3.606 1.00 0.00 H new ATOM 940 N PRO A 154 -4.571 -4.717 -3.194 1.00 0.00 N ATOM 941 CA PRO A 154 -5.816 -5.393 -2.823 1.00 0.00 C ATOM 942 C PRO A 154 -7.010 -4.911 -3.642 1.00 0.00 C ATOM 943 O PRO A 154 -6.856 -4.476 -4.783 1.00 0.00 O ATOM 944 CB PRO A 154 -5.983 -5.009 -1.355 1.00 0.00 C ATOM 945 CG PRO A 154 -5.364 -3.656 -1.250 1.00 0.00 C ATOM 946 CD PRO A 154 -4.246 -3.618 -2.262 1.00 0.00 C ATOM 0 HA PRO A 154 -5.772 -6.467 -3.002 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -7.034 -4.988 -1.067 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -5.487 -5.724 -0.699 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -6.098 -2.876 -1.453 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -4.983 -3.480 -0.244 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -4.205 -2.658 -2.776 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -3.275 -3.769 -1.790 1.00 0.00 H new ATOM 954 N HIS A 155 -8.200 -4.989 -3.050 1.00 0.00 N ATOM 955 CA HIS A 155 -9.420 -4.557 -3.725 1.00 0.00 C ATOM 956 C HIS A 155 -10.482 -4.135 -2.714 1.00 0.00 C ATOM 957 O HIS A 155 -10.650 -4.771 -1.674 1.00 0.00 O ATOM 958 CB HIS A 155 -9.961 -5.678 -4.616 1.00 0.00 C ATOM 959 CG HIS A 155 -10.254 -6.945 -3.876 1.00 0.00 C ATOM 960 ND1 HIS A 155 -9.287 -7.675 -3.219 1.00 0.00 N ATOM 961 CD2 HIS A 155 -11.418 -7.612 -3.689 1.00 0.00 C ATOM 962 CE1 HIS A 155 -9.841 -8.736 -2.661 1.00 0.00 C ATOM 963 NE2 HIS A 155 -11.133 -8.721 -2.932 1.00 0.00 N ATOM 0 H HIS A 155 -8.344 -5.347 -2.106 1.00 0.00 H new ATOM 0 HA HIS A 155 -9.175 -3.696 -4.347 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -10.872 -5.334 -5.105 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -9.236 -5.886 -5.403 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -12.389 -7.325 -4.065 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -9.325 -9.488 -2.082 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -11.810 -9.421 -2.628 1.00 0.00 H new ATOM 972 N CYS A 156 -11.200 -3.059 -3.028 1.00 0.00 N ATOM 973 CA CYS A 156 -12.250 -2.560 -2.145 1.00 0.00 C ATOM 974 C CYS A 156 -13.619 -3.038 -2.618 1.00 0.00 C ATOM 975 O CYS A 156 -13.980 -2.865 -3.782 1.00 0.00 O ATOM 976 CB CYS A 156 -12.224 -1.030 -2.096 1.00 0.00 C ATOM 977 SG CYS A 156 -10.666 -0.325 -1.468 1.00 0.00 S ATOM 0 H CYS A 156 -11.074 -2.518 -3.884 1.00 0.00 H new ATOM 0 HA CYS A 156 -12.067 -2.950 -1.144 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -12.406 -0.643 -3.099 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -13.045 -0.684 -1.467 1.00 0.00 H new ATOM 982 N GLN A 157 -14.377 -3.642 -1.707 1.00 0.00 N ATOM 983 CA GLN A 157 -15.707 -4.146 -2.036 1.00 0.00 C ATOM 984 C GLN A 157 -16.798 -3.248 -1.463 1.00 0.00 C ATOM 985 O GLN A 157 -16.683 -2.744 -0.346 1.00 0.00 O ATOM 986 CB GLN A 157 -15.882 -5.573 -1.515 1.00 0.00 C ATOM 987 CG GLN A 157 -14.891 -6.566 -2.101 1.00 0.00 C ATOM 988 CD GLN A 157 -14.984 -6.671 -3.612 1.00 0.00 C ATOM 989 OE1 GLN A 157 -14.758 -5.698 -4.331 1.00 0.00 O ATOM 990 NE2 GLN A 157 -15.316 -7.860 -4.102 1.00 0.00 N ATOM 0 H GLN A 157 -14.095 -3.794 -0.739 1.00 0.00 H new ATOM 0 HA GLN A 157 -15.801 -4.147 -3.122 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -15.779 -5.569 -0.430 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -16.894 -5.910 -1.738 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -13.880 -6.269 -1.824 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -15.066 -7.548 -1.662 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -15.495 -8.640 -3.470 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -15.392 -7.993 -5.110 1.00 0.00 H new ATOM 999 N VAL A 158 -17.858 -3.060 -2.240 1.00 0.00 N ATOM 1000 CA VAL A 158 -18.983 -2.232 -1.826 1.00 0.00 C ATOM 1001 C VAL A 158 -19.628 -2.778 -0.554 1.00 0.00 C ATOM 1002 O VAL A 158 -19.769 -3.991 -0.391 1.00 0.00 O ATOM 1003 CB VAL A 158 -20.045 -2.149 -2.938 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -20.520 -3.543 -3.321 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -21.214 -1.277 -2.503 1.00 0.00 C ATOM 0 H VAL A 158 -17.962 -3.473 -3.167 1.00 0.00 H new ATOM 0 HA VAL A 158 -18.594 -1.233 -1.627 1.00 0.00 H new ATOM 0 HB VAL A 158 -19.592 -1.688 -3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -21.270 -3.468 -4.108 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -19.674 -4.130 -3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -20.956 -4.031 -2.449 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -21.952 -1.232 -3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -21.672 -1.702 -1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -20.856 -0.271 -2.283 1.00 0.00 H new ATOM 1015 N ASN A 159 -20.016 -1.877 0.344 1.00 0.00 N ATOM 1016 CA ASN A 159 -20.647 -2.271 1.600 1.00 0.00 C ATOM 1017 C ASN A 159 -21.914 -3.080 1.344 1.00 0.00 C ATOM 1018 O ASN A 159 -22.315 -3.850 2.241 1.00 0.00 O ATOM 1019 CB ASN A 159 -20.977 -1.036 2.441 1.00 0.00 C ATOM 1020 CG ASN A 159 -21.892 -0.066 1.718 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -23.004 -0.419 1.322 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -21.430 1.166 1.546 1.00 0.00 N ATOM 1023 OXT ASN A 159 -22.497 -2.936 0.248 1.00 0.00 O ATOM 0 H ASN A 159 -19.905 -0.870 0.226 1.00 0.00 H new ATOM 0 HA ASN A 159 -19.943 -2.897 2.148 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -21.449 -1.350 3.372 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -20.052 -0.526 2.709 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -22.002 1.863 1.070 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -20.503 1.416 1.890 1.00 0.00 H new TER 1030 ASN A 159