USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=12 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 135 HIS : no HD1:sc= 0.18 K(o=0.17,f=-2.9!) USER MOD Set 1.2: A 159 ASN : amide:sc= -0.0138 K(o=0.17,f=-0.91) USER MOD Set 2.1: A 139 SER OG : rot -59:sc= 1.21 USER MOD Set 2.2: A 142 SER OG : rot -123:sc= 0.34 USER MOD Set 2.3: A 151 THR OG1 : rot 65:sc= 0.991 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot -80:sc= -1.49! USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 145 SER OG : rot 180:sc= -0.181 USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ -169:sc= -1.48! (180deg=-1.71!) USER MOD Single : A 155 HIS : no HD1:sc= -0.382 K(o=-0.38,f=-1.1) USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 92 31.282 8.837 -8.084 1.00 0.00 N ATOM 2 CA GLU A 92 30.371 7.899 -8.792 1.00 0.00 C ATOM 3 C GLU A 92 29.689 6.945 -7.815 1.00 0.00 C ATOM 4 O GLU A 92 29.739 5.726 -7.987 1.00 0.00 O ATOM 5 CB GLU A 92 31.182 7.112 -9.823 1.00 0.00 C ATOM 6 CG GLU A 92 31.768 7.978 -10.925 1.00 0.00 C ATOM 7 CD GLU A 92 32.540 7.172 -11.949 1.00 0.00 C ATOM 8 OE1 GLU A 92 31.941 6.268 -12.570 1.00 0.00 O ATOM 9 OE2 GLU A 92 33.745 7.445 -12.135 1.00 0.00 O ATOM 0 HA GLU A 92 29.588 8.471 -9.290 1.00 0.00 H new ATOM 0 HB2 GLU A 92 31.992 6.589 -9.314 1.00 0.00 H new ATOM 0 HB3 GLU A 92 30.543 6.351 -10.271 1.00 0.00 H new ATOM 0 HG2 GLU A 92 30.964 8.518 -11.424 1.00 0.00 H new ATOM 0 HG3 GLU A 92 32.428 8.725 -10.483 1.00 0.00 H new ATOM 18 N ALA A 93 29.055 7.507 -6.790 1.00 0.00 N ATOM 19 CA ALA A 93 28.364 6.706 -5.787 1.00 0.00 C ATOM 20 C ALA A 93 27.338 5.783 -6.437 1.00 0.00 C ATOM 21 O ALA A 93 26.526 6.219 -7.254 1.00 0.00 O ATOM 22 CB ALA A 93 27.689 7.608 -4.764 1.00 0.00 C ATOM 0 H ALA A 93 29.006 8.514 -6.633 1.00 0.00 H new ATOM 0 HA ALA A 93 29.103 6.087 -5.278 1.00 0.00 H new ATOM 0 HB1 ALA A 93 27.177 6.996 -4.021 1.00 0.00 H new ATOM 0 HB2 ALA A 93 28.440 8.225 -4.271 1.00 0.00 H new ATOM 0 HB3 ALA A 93 26.966 8.250 -5.266 1.00 0.00 H new ATOM 28 N GLU A 94 27.383 4.506 -6.070 1.00 0.00 N ATOM 29 CA GLU A 94 26.458 3.520 -6.617 1.00 0.00 C ATOM 30 C GLU A 94 25.029 3.811 -6.173 1.00 0.00 C ATOM 31 O GLU A 94 24.766 4.010 -4.987 1.00 0.00 O ATOM 32 CB GLU A 94 26.866 2.112 -6.178 1.00 0.00 C ATOM 33 CG GLU A 94 28.272 1.726 -6.606 1.00 0.00 C ATOM 34 CD GLU A 94 28.662 0.334 -6.147 1.00 0.00 C ATOM 35 OE1 GLU A 94 27.821 -0.341 -5.515 1.00 0.00 O ATOM 36 OE2 GLU A 94 29.807 -0.082 -6.420 1.00 0.00 O ATOM 0 H GLU A 94 28.050 4.130 -5.396 1.00 0.00 H new ATOM 0 HA GLU A 94 26.500 3.581 -7.705 1.00 0.00 H new ATOM 0 HB2 GLU A 94 26.794 2.043 -5.093 1.00 0.00 H new ATOM 0 HB3 GLU A 94 26.159 1.392 -6.591 1.00 0.00 H new ATOM 0 HG2 GLU A 94 28.344 1.780 -7.692 1.00 0.00 H new ATOM 0 HG3 GLU A 94 28.981 2.449 -6.203 1.00 0.00 H new ATOM 43 N PHE A 95 24.109 3.834 -7.134 1.00 0.00 N ATOM 44 CA PHE A 95 22.706 4.102 -6.840 1.00 0.00 C ATOM 45 C PHE A 95 22.049 2.922 -6.122 1.00 0.00 C ATOM 46 O PHE A 95 22.695 2.217 -5.347 1.00 0.00 O ATOM 47 CB PHE A 95 21.951 4.438 -8.133 1.00 0.00 C ATOM 48 CG PHE A 95 22.242 3.510 -9.286 1.00 0.00 C ATOM 49 CD1 PHE A 95 22.260 2.134 -9.111 1.00 0.00 C ATOM 50 CD2 PHE A 95 22.495 4.023 -10.548 1.00 0.00 C ATOM 51 CE1 PHE A 95 22.526 1.290 -10.174 1.00 0.00 C ATOM 52 CE2 PHE A 95 22.762 3.185 -11.613 1.00 0.00 C ATOM 53 CZ PHE A 95 22.777 1.816 -11.426 1.00 0.00 C ATOM 0 H PHE A 95 24.310 3.671 -8.121 1.00 0.00 H new ATOM 0 HA PHE A 95 22.659 4.960 -6.170 1.00 0.00 H new ATOM 0 HB2 PHE A 95 20.880 4.419 -7.929 1.00 0.00 H new ATOM 0 HB3 PHE A 95 22.201 5.456 -8.431 1.00 0.00 H new ATOM 0 HD1 PHE A 95 22.064 1.717 -8.134 1.00 0.00 H new ATOM 0 HD2 PHE A 95 22.483 5.092 -10.701 1.00 0.00 H new ATOM 0 HE1 PHE A 95 22.537 0.220 -10.025 1.00 0.00 H new ATOM 0 HE2 PHE A 95 22.959 3.599 -12.591 1.00 0.00 H new ATOM 0 HZ PHE A 95 22.985 1.159 -12.257 1.00 0.00 H new ATOM 63 N VAL A 96 20.760 2.715 -6.389 1.00 0.00 N ATOM 64 CA VAL A 96 20.009 1.626 -5.773 1.00 0.00 C ATOM 65 C VAL A 96 18.596 1.556 -6.343 1.00 0.00 C ATOM 66 O VAL A 96 17.924 2.578 -6.491 1.00 0.00 O ATOM 67 CB VAL A 96 19.932 1.786 -4.240 1.00 0.00 C ATOM 68 CG1 VAL A 96 19.312 3.125 -3.869 1.00 0.00 C ATOM 69 CG2 VAL A 96 19.150 0.636 -3.618 1.00 0.00 C ATOM 0 H VAL A 96 20.214 3.290 -7.030 1.00 0.00 H new ATOM 0 HA VAL A 96 20.540 0.701 -6.000 1.00 0.00 H new ATOM 0 HB VAL A 96 20.947 1.761 -3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 96 19.267 3.217 -2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 96 19.920 3.933 -4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 96 18.304 3.186 -4.280 1.00 0.00 H new ATOM 0 HG21 VAL A 96 19.107 0.768 -2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 96 18.138 0.624 -4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 96 19.645 -0.307 -3.849 1.00 0.00 H new ATOM 79 N ARG A 97 18.153 0.347 -6.671 1.00 0.00 N ATOM 80 CA ARG A 97 16.823 0.147 -7.234 1.00 0.00 C ATOM 81 C ARG A 97 15.739 0.467 -6.208 1.00 0.00 C ATOM 82 O ARG A 97 15.658 -0.169 -5.157 1.00 0.00 O ATOM 83 CB ARG A 97 16.671 -1.297 -7.718 1.00 0.00 C ATOM 84 CG ARG A 97 17.759 -1.736 -8.687 1.00 0.00 C ATOM 85 CD ARG A 97 17.748 -0.908 -9.962 1.00 0.00 C ATOM 86 NE ARG A 97 18.824 -1.289 -10.873 1.00 0.00 N ATOM 87 CZ ARG A 97 18.941 -2.497 -11.420 1.00 0.00 C ATOM 88 NH1 ARG A 97 18.042 -3.438 -11.159 1.00 0.00 N ATOM 89 NH2 ARG A 97 19.956 -2.764 -12.230 1.00 0.00 N ATOM 0 H ARG A 97 18.696 -0.509 -6.557 1.00 0.00 H new ATOM 0 HA ARG A 97 16.706 0.826 -8.079 1.00 0.00 H new ATOM 0 HB2 ARG A 97 16.676 -1.962 -6.855 1.00 0.00 H new ATOM 0 HB3 ARG A 97 15.700 -1.409 -8.201 1.00 0.00 H new ATOM 0 HG2 ARG A 97 18.732 -1.648 -8.205 1.00 0.00 H new ATOM 0 HG3 ARG A 97 17.621 -2.788 -8.936 1.00 0.00 H new ATOM 0 HD2 ARG A 97 16.788 -1.029 -10.464 1.00 0.00 H new ATOM 0 HD3 ARG A 97 17.844 0.148 -9.709 1.00 0.00 H new ATOM 0 HE ARG A 97 19.528 -0.588 -11.104 1.00 0.00 H new ATOM 0 HH11 ARG A 97 17.259 -3.237 -10.538 1.00 0.00 H new ATOM 0 HH12 ARG A 97 18.135 -4.363 -11.580 1.00 0.00 H new ATOM 0 HH21 ARG A 97 20.648 -2.043 -12.435 1.00 0.00 H new ATOM 0 HH22 ARG A 97 20.045 -3.690 -12.648 1.00 0.00 H new ATOM 103 N ILE A 98 14.904 1.451 -6.527 1.00 0.00 N ATOM 104 CA ILE A 98 13.820 1.854 -5.644 1.00 0.00 C ATOM 105 C ILE A 98 12.593 0.971 -5.841 1.00 0.00 C ATOM 106 O ILE A 98 12.307 0.532 -6.956 1.00 0.00 O ATOM 107 CB ILE A 98 13.422 3.326 -5.866 1.00 0.00 C ATOM 108 CG1 ILE A 98 13.078 3.567 -7.339 1.00 0.00 C ATOM 109 CG2 ILE A 98 14.543 4.251 -5.412 1.00 0.00 C ATOM 110 CD1 ILE A 98 12.605 4.975 -7.633 1.00 0.00 C ATOM 0 H ILE A 98 14.960 1.985 -7.395 1.00 0.00 H new ATOM 0 HA ILE A 98 14.188 1.739 -4.625 1.00 0.00 H new ATOM 0 HB ILE A 98 12.537 3.545 -5.269 1.00 0.00 H new ATOM 0 HG12 ILE A 98 13.957 3.354 -7.947 1.00 0.00 H new ATOM 0 HG13 ILE A 98 12.303 2.863 -7.642 1.00 0.00 H new ATOM 0 HG21 ILE A 98 14.248 5.288 -5.575 1.00 0.00 H new ATOM 0 HG22 ILE A 98 14.739 4.092 -4.352 1.00 0.00 H new ATOM 0 HG23 ILE A 98 15.446 4.037 -5.984 1.00 0.00 H new ATOM 0 HD11 ILE A 98 12.381 5.069 -8.696 1.00 0.00 H new ATOM 0 HD12 ILE A 98 11.707 5.186 -7.052 1.00 0.00 H new ATOM 0 HD13 ILE A 98 13.387 5.685 -7.363 1.00 0.00 H new ATOM 122 N CYS A 99 11.872 0.712 -4.754 1.00 0.00 N ATOM 123 CA CYS A 99 10.672 -0.117 -4.811 1.00 0.00 C ATOM 124 C CYS A 99 9.698 0.415 -5.859 1.00 0.00 C ATOM 125 O CYS A 99 9.535 1.627 -6.007 1.00 0.00 O ATOM 126 CB CYS A 99 9.994 -0.167 -3.440 1.00 0.00 C ATOM 127 SG CYS A 99 11.026 -0.891 -2.126 1.00 0.00 S ATOM 0 H CYS A 99 12.098 1.064 -3.824 1.00 0.00 H new ATOM 0 HA CYS A 99 10.968 -1.127 -5.095 1.00 0.00 H new ATOM 0 HB2 CYS A 99 9.711 0.845 -3.149 1.00 0.00 H new ATOM 0 HB3 CYS A 99 9.073 -0.744 -3.523 1.00 0.00 H new ATOM 132 N SER A 100 9.064 -0.500 -6.589 1.00 0.00 N ATOM 133 CA SER A 100 8.113 -0.129 -7.633 1.00 0.00 C ATOM 134 C SER A 100 7.114 0.911 -7.133 1.00 0.00 C ATOM 135 O SER A 100 6.497 0.741 -6.082 1.00 0.00 O ATOM 136 CB SER A 100 7.365 -1.367 -8.132 1.00 0.00 C ATOM 137 OG SER A 100 8.262 -2.318 -8.679 1.00 0.00 O ATOM 0 H SER A 100 9.192 -1.506 -6.476 1.00 0.00 H new ATOM 0 HA SER A 100 8.678 0.309 -8.456 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.810 -1.817 -7.309 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.635 -1.075 -8.887 1.00 0.00 H new ATOM 0 HG SER A 100 7.760 -3.100 -8.989 1.00 0.00 H new ATOM 143 N LYS A 101 6.964 1.990 -7.896 1.00 0.00 N ATOM 144 CA LYS A 101 6.044 3.062 -7.535 1.00 0.00 C ATOM 145 C LYS A 101 4.610 2.720 -7.928 1.00 0.00 C ATOM 146 O LYS A 101 3.726 3.576 -7.893 1.00 0.00 O ATOM 147 CB LYS A 101 6.472 4.369 -8.204 1.00 0.00 C ATOM 148 CG LYS A 101 6.575 4.275 -9.718 1.00 0.00 C ATOM 149 CD LYS A 101 7.059 5.582 -10.327 1.00 0.00 C ATOM 150 CE LYS A 101 8.445 5.956 -9.823 1.00 0.00 C ATOM 151 NZ LYS A 101 8.910 7.254 -10.383 1.00 0.00 N ATOM 0 H LYS A 101 7.469 2.144 -8.769 1.00 0.00 H new ATOM 0 HA LYS A 101 6.077 3.182 -6.452 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.758 5.150 -7.945 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.438 4.674 -7.801 1.00 0.00 H new ATOM 0 HG2 LYS A 101 7.260 3.471 -9.988 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.601 4.017 -10.134 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.078 5.493 -11.413 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.356 6.379 -10.085 1.00 0.00 H new ATOM 0 HE2 LYS A 101 8.431 6.015 -8.735 1.00 0.00 H new ATOM 0 HE3 LYS A 101 9.152 5.171 -10.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 9.858 7.471 -10.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 8.948 7.191 -11.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.250 8.008 -10.106 1.00 0.00 H new ATOM 165 N SER A 102 4.383 1.463 -8.296 1.00 0.00 N ATOM 166 CA SER A 102 3.053 1.010 -8.688 1.00 0.00 C ATOM 167 C SER A 102 2.111 1.001 -7.489 1.00 0.00 C ATOM 168 O SER A 102 0.940 1.365 -7.599 1.00 0.00 O ATOM 169 CB SER A 102 3.127 -0.389 -9.304 1.00 0.00 C ATOM 170 OG SER A 102 1.845 -0.840 -9.704 1.00 0.00 O ATOM 0 H SER A 102 5.102 0.741 -8.331 1.00 0.00 H new ATOM 0 HA SER A 102 2.663 1.705 -9.432 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.796 -0.376 -10.165 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.552 -1.086 -8.581 1.00 0.00 H new ATOM 0 HG SER A 102 1.921 -1.735 -10.096 1.00 0.00 H new ATOM 176 N TYR A 103 2.636 0.579 -6.344 1.00 0.00 N ATOM 177 CA TYR A 103 1.856 0.511 -5.113 1.00 0.00 C ATOM 178 C TYR A 103 1.355 1.891 -4.693 1.00 0.00 C ATOM 179 O TYR A 103 0.277 2.013 -4.114 1.00 0.00 O ATOM 180 CB TYR A 103 2.689 -0.103 -3.984 1.00 0.00 C ATOM 181 CG TYR A 103 3.046 -1.561 -4.196 1.00 0.00 C ATOM 182 CD1 TYR A 103 3.571 -2.005 -5.404 1.00 0.00 C ATOM 183 CD2 TYR A 103 2.862 -2.491 -3.181 1.00 0.00 C ATOM 184 CE1 TYR A 103 3.900 -3.334 -5.595 1.00 0.00 C ATOM 185 CE2 TYR A 103 3.189 -3.822 -3.363 1.00 0.00 C ATOM 186 CZ TYR A 103 3.707 -4.238 -4.572 1.00 0.00 C ATOM 187 OH TYR A 103 4.035 -5.562 -4.757 1.00 0.00 O ATOM 0 H TYR A 103 3.605 0.277 -6.242 1.00 0.00 H new ATOM 0 HA TYR A 103 0.991 -0.123 -5.307 1.00 0.00 H new ATOM 0 HB2 TYR A 103 3.608 0.472 -3.872 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.138 -0.008 -3.048 1.00 0.00 H new ATOM 0 HD1 TYR A 103 3.725 -1.300 -6.207 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.457 -2.169 -2.233 1.00 0.00 H new ATOM 0 HE1 TYR A 103 4.306 -3.662 -6.540 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.040 -4.532 -2.563 1.00 0.00 H new ATOM 0 HH TYR A 103 3.319 -6.010 -5.255 1.00 0.00 H new ATOM 197 N LEU A 104 2.150 2.922 -4.977 1.00 0.00 N ATOM 198 CA LEU A 104 1.791 4.294 -4.615 1.00 0.00 C ATOM 199 C LEU A 104 0.339 4.599 -4.972 1.00 0.00 C ATOM 200 O LEU A 104 -0.400 5.168 -4.168 1.00 0.00 O ATOM 201 CB LEU A 104 2.721 5.292 -5.311 1.00 0.00 C ATOM 202 CG LEU A 104 4.206 5.152 -4.962 1.00 0.00 C ATOM 203 CD1 LEU A 104 5.021 6.225 -5.667 1.00 0.00 C ATOM 204 CD2 LEU A 104 4.416 5.222 -3.457 1.00 0.00 C ATOM 0 H LEU A 104 3.046 2.834 -5.456 1.00 0.00 H new ATOM 0 HA LEU A 104 1.905 4.393 -3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.606 5.181 -6.389 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.398 6.302 -5.058 1.00 0.00 H new ATOM 0 HG LEU A 104 4.548 4.176 -5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.074 6.111 -5.408 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.900 6.124 -6.746 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.675 7.210 -5.353 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.478 5.120 -3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.056 6.181 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.864 4.415 -2.975 1.00 0.00 H new ATOM 216 N THR A 105 -0.068 4.208 -6.175 1.00 0.00 N ATOM 217 CA THR A 105 -1.437 4.432 -6.621 1.00 0.00 C ATOM 218 C THR A 105 -2.308 3.223 -6.299 1.00 0.00 C ATOM 219 O THR A 105 -1.879 2.080 -6.457 1.00 0.00 O ATOM 220 CB THR A 105 -1.506 4.724 -8.132 1.00 0.00 C ATOM 221 OG1 THR A 105 -2.866 4.938 -8.527 1.00 0.00 O ATOM 222 CG2 THR A 105 -0.914 3.578 -8.938 1.00 0.00 C ATOM 0 H THR A 105 0.528 3.737 -6.855 1.00 0.00 H new ATOM 0 HA THR A 105 -1.810 5.306 -6.086 1.00 0.00 H new ATOM 0 HB THR A 105 -0.922 5.623 -8.330 1.00 0.00 H new ATOM 0 HG1 THR A 105 -2.902 5.125 -9.488 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.976 3.811 -10.001 1.00 0.00 H new ATOM 0 HG22 THR A 105 0.130 3.437 -8.657 1.00 0.00 H new ATOM 0 HG23 THR A 105 -1.471 2.664 -8.734 1.00 0.00 H new ATOM 230 N LEU A 106 -3.527 3.478 -5.835 1.00 0.00 N ATOM 231 CA LEU A 106 -4.443 2.401 -5.478 1.00 0.00 C ATOM 232 C LEU A 106 -5.884 2.795 -5.800 1.00 0.00 C ATOM 233 O LEU A 106 -6.374 3.826 -5.337 1.00 0.00 O ATOM 234 CB LEU A 106 -4.288 2.073 -3.985 1.00 0.00 C ATOM 235 CG LEU A 106 -4.960 0.781 -3.504 1.00 0.00 C ATOM 236 CD1 LEU A 106 -4.444 0.401 -2.124 1.00 0.00 C ATOM 237 CD2 LEU A 106 -6.472 0.932 -3.470 1.00 0.00 C ATOM 0 H LEU A 106 -3.902 4.417 -5.698 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.201 1.514 -6.063 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.224 2.012 -3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.691 2.905 -3.407 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.711 -0.012 -4.209 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -4.929 -0.518 -1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -3.366 0.246 -2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.667 1.202 -1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.923 0.001 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.742 1.740 -2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.837 1.163 -4.471 1.00 0.00 H new ATOM 249 N GLU A 107 -6.556 1.967 -6.598 1.00 0.00 N ATOM 250 CA GLU A 107 -7.940 2.226 -6.985 1.00 0.00 C ATOM 251 C GLU A 107 -8.846 2.255 -5.758 1.00 0.00 C ATOM 252 O GLU A 107 -8.862 1.312 -4.968 1.00 0.00 O ATOM 253 CB GLU A 107 -8.423 1.163 -7.973 1.00 0.00 C ATOM 254 CG GLU A 107 -8.317 -0.257 -7.441 1.00 0.00 C ATOM 255 CD GLU A 107 -8.812 -1.293 -8.431 1.00 0.00 C ATOM 256 OE1 GLU A 107 -9.244 -0.902 -9.536 1.00 0.00 O ATOM 257 OE2 GLU A 107 -8.771 -2.497 -8.100 1.00 0.00 O ATOM 0 H GLU A 107 -6.163 1.111 -6.989 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.984 3.202 -7.469 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.461 1.367 -8.234 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -7.842 1.242 -8.892 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.278 -0.469 -7.189 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.892 -0.339 -6.519 1.00 0.00 H new ATOM 264 N ASN A 108 -9.592 3.344 -5.600 1.00 0.00 N ATOM 265 CA ASN A 108 -10.485 3.493 -4.457 1.00 0.00 C ATOM 266 C ASN A 108 -9.700 3.352 -3.157 1.00 0.00 C ATOM 267 O ASN A 108 -10.166 2.741 -2.195 1.00 0.00 O ATOM 268 CB ASN A 108 -11.610 2.457 -4.513 1.00 0.00 C ATOM 269 CG ASN A 108 -12.565 2.705 -5.665 1.00 0.00 C ATOM 270 OD1 ASN A 108 -13.196 3.759 -5.746 1.00 0.00 O ATOM 271 ND2 ASN A 108 -12.675 1.734 -6.563 1.00 0.00 N ATOM 0 H ASN A 108 -9.596 4.133 -6.246 1.00 0.00 H new ATOM 0 HA ASN A 108 -10.932 4.487 -4.493 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -11.179 1.461 -4.610 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -12.164 2.475 -3.575 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -13.302 1.845 -7.360 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -12.133 0.877 -6.456 1.00 0.00 H new ATOM 278 N GLY A 109 -8.501 3.924 -3.145 1.00 0.00 N ATOM 279 CA GLY A 109 -7.652 3.858 -1.973 1.00 0.00 C ATOM 280 C GLY A 109 -6.563 4.912 -1.997 1.00 0.00 C ATOM 281 O GLY A 109 -6.419 5.643 -2.977 1.00 0.00 O ATOM 0 H GLY A 109 -8.101 4.435 -3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.260 3.986 -1.078 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -7.197 2.869 -1.910 1.00 0.00 H new ATOM 285 N LYS A 110 -5.799 4.996 -0.914 1.00 0.00 N ATOM 286 CA LYS A 110 -4.722 5.974 -0.813 1.00 0.00 C ATOM 287 C LYS A 110 -3.514 5.381 -0.098 1.00 0.00 C ATOM 288 O LYS A 110 -3.656 4.683 0.907 1.00 0.00 O ATOM 289 CB LYS A 110 -5.208 7.223 -0.074 1.00 0.00 C ATOM 290 CG LYS A 110 -6.363 7.929 -0.767 1.00 0.00 C ATOM 291 CD LYS A 110 -6.836 9.136 0.024 1.00 0.00 C ATOM 292 CE LYS A 110 -7.998 9.831 -0.664 1.00 0.00 C ATOM 293 NZ LYS A 110 -8.472 11.012 0.107 1.00 0.00 N ATOM 0 H LYS A 110 -5.905 4.399 -0.094 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.421 6.253 -1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.516 6.942 0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.377 7.920 0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.052 8.245 -1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.191 7.232 -0.898 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.138 8.822 1.023 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.011 9.838 0.146 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.693 10.147 -1.662 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.820 9.126 -0.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.265 11.459 -0.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -8.787 10.707 1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -7.695 11.697 0.206 1.00 0.00 H new ATOM 307 N VAL A 111 -2.325 5.664 -0.621 1.00 0.00 N ATOM 308 CA VAL A 111 -1.094 5.157 -0.029 1.00 0.00 C ATOM 309 C VAL A 111 -0.298 6.281 0.623 1.00 0.00 C ATOM 310 O VAL A 111 -0.095 7.341 0.028 1.00 0.00 O ATOM 311 CB VAL A 111 -0.208 4.456 -1.079 1.00 0.00 C ATOM 312 CG1 VAL A 111 1.092 3.975 -0.450 1.00 0.00 C ATOM 313 CG2 VAL A 111 -0.959 3.300 -1.720 1.00 0.00 C ATOM 0 H VAL A 111 -2.189 6.240 -1.452 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.384 4.430 0.730 1.00 0.00 H new ATOM 0 HB VAL A 111 0.040 5.177 -1.858 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.703 3.483 -1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.636 4.827 -0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.870 3.270 0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.320 2.816 -2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.239 2.578 -0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.858 3.676 -2.209 1.00 0.00 H new ATOM 323 N PHE A 112 0.150 6.041 1.850 1.00 0.00 N ATOM 324 CA PHE A 112 0.925 7.028 2.590 1.00 0.00 C ATOM 325 C PHE A 112 2.364 6.559 2.765 1.00 0.00 C ATOM 326 O PHE A 112 2.611 5.414 3.143 1.00 0.00 O ATOM 327 CB PHE A 112 0.289 7.291 3.961 1.00 0.00 C ATOM 328 CG PHE A 112 -1.021 8.034 3.899 1.00 0.00 C ATOM 329 CD1 PHE A 112 -2.031 7.628 3.040 1.00 0.00 C ATOM 330 CD2 PHE A 112 -1.238 9.141 4.705 1.00 0.00 C ATOM 331 CE1 PHE A 112 -3.231 8.312 2.987 1.00 0.00 C ATOM 332 CE2 PHE A 112 -2.436 9.828 4.656 1.00 0.00 C ATOM 333 CZ PHE A 112 -3.434 9.412 3.796 1.00 0.00 C ATOM 0 H PHE A 112 -0.011 5.169 2.354 1.00 0.00 H new ATOM 0 HA PHE A 112 0.927 7.956 2.019 1.00 0.00 H new ATOM 0 HB2 PHE A 112 0.130 6.338 4.465 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.989 7.861 4.571 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -1.878 6.768 2.405 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.461 9.470 5.379 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.009 7.986 2.313 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.592 10.689 5.289 1.00 0.00 H new ATOM 0 HZ PHE A 112 -4.372 9.947 3.757 1.00 0.00 H new ATOM 343 N LEU A 113 3.311 7.450 2.493 1.00 0.00 N ATOM 344 CA LEU A 113 4.723 7.127 2.627 1.00 0.00 C ATOM 345 C LEU A 113 5.313 7.847 3.828 1.00 0.00 C ATOM 346 O LEU A 113 5.102 9.046 4.009 1.00 0.00 O ATOM 347 CB LEU A 113 5.494 7.513 1.357 1.00 0.00 C ATOM 348 CG LEU A 113 5.176 6.682 0.108 1.00 0.00 C ATOM 349 CD1 LEU A 113 3.723 6.861 -0.310 1.00 0.00 C ATOM 350 CD2 LEU A 113 6.105 7.066 -1.033 1.00 0.00 C ATOM 0 H LEU A 113 3.124 8.402 2.178 1.00 0.00 H new ATOM 0 HA LEU A 113 4.814 6.051 2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 113 5.291 8.561 1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 113 6.561 7.432 1.563 1.00 0.00 H new ATOM 0 HG LEU A 113 5.333 5.631 0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 113 3.523 6.261 -1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 113 3.069 6.539 0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.535 7.911 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.867 6.468 -1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.976 8.123 -1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.138 6.883 -0.738 1.00 0.00 H new ATOM 362 N THR A 114 6.054 7.114 4.647 1.00 0.00 N ATOM 363 CA THR A 114 6.669 7.699 5.827 1.00 0.00 C ATOM 364 C THR A 114 7.797 6.817 6.352 1.00 0.00 C ATOM 365 O THR A 114 7.622 5.613 6.545 1.00 0.00 O ATOM 366 CB THR A 114 5.635 7.926 6.948 1.00 0.00 C ATOM 367 OG1 THR A 114 6.276 8.490 8.098 1.00 0.00 O ATOM 368 CG2 THR A 114 4.950 6.623 7.332 1.00 0.00 C ATOM 0 H THR A 114 6.242 6.120 4.517 1.00 0.00 H new ATOM 0 HA THR A 114 7.079 8.663 5.527 1.00 0.00 H new ATOM 0 HB THR A 114 4.878 8.617 6.576 1.00 0.00 H new ATOM 0 HG1 THR A 114 5.613 8.633 8.805 1.00 0.00 H new ATOM 0 HG21 THR A 114 4.226 6.812 8.124 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.437 6.212 6.463 1.00 0.00 H new ATOM 0 HG23 THR A 114 5.695 5.910 7.684 1.00 0.00 H new ATOM 376 N GLY A 115 8.958 7.422 6.577 1.00 0.00 N ATOM 377 CA GLY A 115 10.100 6.677 7.073 1.00 0.00 C ATOM 378 C GLY A 115 11.415 7.360 6.758 1.00 0.00 C ATOM 379 O GLY A 115 12.333 7.369 7.578 1.00 0.00 O ATOM 0 H GLY A 115 9.129 8.416 6.425 1.00 0.00 H new ATOM 0 HA2 GLY A 115 10.008 6.552 8.152 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.098 5.679 6.635 1.00 0.00 H new ATOM 383 N GLY A 116 11.505 7.929 5.560 1.00 0.00 N ATOM 384 CA GLY A 116 12.717 8.609 5.144 1.00 0.00 C ATOM 385 C GLY A 116 12.485 9.515 3.951 1.00 0.00 C ATOM 386 O GLY A 116 11.579 10.350 3.968 1.00 0.00 O ATOM 0 H GLY A 116 10.756 7.931 4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 116 13.105 9.198 5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 116 13.479 7.870 4.894 1.00 0.00 H new ATOM 390 N ASP A 117 13.299 9.351 2.911 1.00 0.00 N ATOM 391 CA ASP A 117 13.173 10.160 1.708 1.00 0.00 C ATOM 392 C ASP A 117 14.147 9.666 0.648 1.00 0.00 C ATOM 393 O ASP A 117 15.317 9.419 0.941 1.00 0.00 O ATOM 394 CB ASP A 117 13.443 11.634 2.024 1.00 0.00 C ATOM 395 CG ASP A 117 13.215 12.542 0.829 1.00 0.00 C ATOM 396 OD1 ASP A 117 12.815 12.033 -0.239 1.00 0.00 O ATOM 397 OD2 ASP A 117 13.432 13.764 0.964 1.00 0.00 O ATOM 0 H ASP A 117 14.052 8.664 2.880 1.00 0.00 H new ATOM 0 HA ASP A 117 12.155 10.068 1.329 1.00 0.00 H new ATOM 0 HB2 ASP A 117 12.797 11.950 2.843 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.471 11.745 2.368 1.00 0.00 H new ATOM 402 N LEU A 118 13.656 9.518 -0.577 1.00 0.00 N ATOM 403 CA LEU A 118 14.483 9.043 -1.678 1.00 0.00 C ATOM 404 C LEU A 118 15.856 9.714 -1.661 1.00 0.00 C ATOM 405 O LEU A 118 15.971 10.904 -1.365 1.00 0.00 O ATOM 406 CB LEU A 118 13.768 9.273 -3.018 1.00 0.00 C ATOM 407 CG LEU A 118 13.396 10.724 -3.335 1.00 0.00 C ATOM 408 CD1 LEU A 118 14.620 11.498 -3.794 1.00 0.00 C ATOM 409 CD2 LEU A 118 12.317 10.772 -4.406 1.00 0.00 C ATOM 0 H LEU A 118 12.689 9.720 -0.832 1.00 0.00 H new ATOM 0 HA LEU A 118 14.641 7.972 -1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 118 14.407 8.899 -3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 118 12.858 8.674 -3.030 1.00 0.00 H new ATOM 0 HG LEU A 118 13.010 11.186 -2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 118 14.338 12.527 -4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 118 15.373 11.490 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 118 15.029 11.033 -4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 118 12.063 11.810 -4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 118 12.684 10.293 -5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 118 11.430 10.247 -4.052 1.00 0.00 H new ATOM 421 N PRO A 119 16.923 8.953 -1.964 1.00 0.00 N ATOM 422 CA PRO A 119 16.832 7.537 -2.320 1.00 0.00 C ATOM 423 C PRO A 119 16.880 6.598 -1.111 1.00 0.00 C ATOM 424 O PRO A 119 17.585 5.589 -1.140 1.00 0.00 O ATOM 425 CB PRO A 119 18.069 7.346 -3.188 1.00 0.00 C ATOM 426 CG PRO A 119 19.082 8.272 -2.598 1.00 0.00 C ATOM 427 CD PRO A 119 18.318 9.430 -2.000 1.00 0.00 C ATOM 0 HA PRO A 119 15.885 7.297 -2.804 1.00 0.00 H new ATOM 0 HB2 PRO A 119 18.415 6.312 -3.166 1.00 0.00 H new ATOM 0 HB3 PRO A 119 17.865 7.592 -4.230 1.00 0.00 H new ATOM 0 HG2 PRO A 119 19.673 7.764 -1.836 1.00 0.00 H new ATOM 0 HG3 PRO A 119 19.778 8.621 -3.361 1.00 0.00 H new ATOM 0 HD2 PRO A 119 18.682 9.676 -1.003 1.00 0.00 H new ATOM 0 HD3 PRO A 119 18.417 10.330 -2.607 1.00 0.00 H new ATOM 435 N ALA A 120 16.131 6.917 -0.055 1.00 0.00 N ATOM 436 CA ALA A 120 16.112 6.070 1.134 1.00 0.00 C ATOM 437 C ALA A 120 15.505 4.708 0.818 1.00 0.00 C ATOM 438 O ALA A 120 14.610 4.596 -0.020 1.00 0.00 O ATOM 439 CB ALA A 120 15.350 6.738 2.266 1.00 0.00 C ATOM 0 H ALA A 120 15.537 7.745 0.000 1.00 0.00 H new ATOM 0 HA ALA A 120 17.143 5.923 1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.351 6.086 3.140 1.00 0.00 H new ATOM 0 HB2 ALA A 120 15.829 7.684 2.519 1.00 0.00 H new ATOM 0 HB3 ALA A 120 14.323 6.924 1.953 1.00 0.00 H new ATOM 445 N LEU A 121 16.001 3.675 1.491 1.00 0.00 N ATOM 446 CA LEU A 121 15.511 2.319 1.278 1.00 0.00 C ATOM 447 C LEU A 121 15.418 1.579 2.608 1.00 0.00 C ATOM 448 O LEU A 121 14.378 1.011 2.945 1.00 0.00 O ATOM 449 CB LEU A 121 16.450 1.576 0.317 1.00 0.00 C ATOM 450 CG LEU A 121 15.913 0.267 -0.283 1.00 0.00 C ATOM 451 CD1 LEU A 121 15.733 -0.799 0.789 1.00 0.00 C ATOM 452 CD2 LEU A 121 14.608 0.516 -1.023 1.00 0.00 C ATOM 0 H LEU A 121 16.742 3.751 2.188 1.00 0.00 H new ATOM 0 HA LEU A 121 14.515 2.363 0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 121 16.704 2.249 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 121 17.377 1.355 0.847 1.00 0.00 H new ATOM 0 HG LEU A 121 16.649 -0.103 -0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 121 15.352 -1.713 0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 121 16.693 -1.003 1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 121 15.025 -0.445 1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 121 14.242 -0.422 -1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 121 13.868 0.918 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 121 14.777 1.231 -1.828 1.00 0.00 H new ATOM 464 N ASP A 122 16.516 1.593 3.357 1.00 0.00 N ATOM 465 CA ASP A 122 16.577 0.929 4.656 1.00 0.00 C ATOM 466 C ASP A 122 15.843 1.725 5.734 1.00 0.00 C ATOM 467 O ASP A 122 16.355 1.898 6.840 1.00 0.00 O ATOM 468 CB ASP A 122 18.034 0.724 5.068 1.00 0.00 C ATOM 469 CG ASP A 122 18.782 -0.192 4.119 1.00 0.00 C ATOM 470 OD1 ASP A 122 18.889 0.151 2.923 1.00 0.00 O ATOM 471 OD2 ASP A 122 19.261 -1.252 4.573 1.00 0.00 O ATOM 0 H ASP A 122 17.381 2.060 3.085 1.00 0.00 H new ATOM 0 HA ASP A 122 16.082 -0.037 4.558 1.00 0.00 H new ATOM 0 HB2 ASP A 122 18.537 1.690 5.107 1.00 0.00 H new ATOM 0 HB3 ASP A 122 18.068 0.306 6.074 1.00 0.00 H new ATOM 476 N GLY A 123 14.648 2.211 5.414 1.00 0.00 N ATOM 477 CA GLY A 123 13.890 2.981 6.385 1.00 0.00 C ATOM 478 C GLY A 123 12.681 3.668 5.783 1.00 0.00 C ATOM 479 O GLY A 123 12.585 4.895 5.809 1.00 0.00 O ATOM 0 H GLY A 123 14.194 2.088 4.509 1.00 0.00 H new ATOM 0 HA2 GLY A 123 13.563 2.321 7.188 1.00 0.00 H new ATOM 0 HA3 GLY A 123 14.541 3.731 6.834 1.00 0.00 H new ATOM 483 N ALA A 124 11.754 2.884 5.242 1.00 0.00 N ATOM 484 CA ALA A 124 10.551 3.442 4.637 1.00 0.00 C ATOM 485 C ALA A 124 9.440 2.401 4.542 1.00 0.00 C ATOM 486 O ALA A 124 9.630 1.321 3.981 1.00 0.00 O ATOM 487 CB ALA A 124 10.869 3.999 3.259 1.00 0.00 C ATOM 0 H ALA A 124 11.812 1.866 5.210 1.00 0.00 H new ATOM 0 HA ALA A 124 10.197 4.250 5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.963 4.413 2.816 1.00 0.00 H new ATOM 0 HB2 ALA A 124 11.621 4.783 3.348 1.00 0.00 H new ATOM 0 HB3 ALA A 124 11.251 3.200 2.623 1.00 0.00 H new ATOM 493 N ARG A 125 8.276 2.739 5.092 1.00 0.00 N ATOM 494 CA ARG A 125 7.123 1.845 5.068 1.00 0.00 C ATOM 495 C ARG A 125 5.864 2.598 4.652 1.00 0.00 C ATOM 496 O ARG A 125 5.553 3.655 5.201 1.00 0.00 O ATOM 497 CB ARG A 125 6.915 1.204 6.442 1.00 0.00 C ATOM 498 CG ARG A 125 8.067 0.316 6.882 1.00 0.00 C ATOM 499 CD ARG A 125 7.801 -0.304 8.245 1.00 0.00 C ATOM 500 NE ARG A 125 8.867 -1.215 8.652 1.00 0.00 N ATOM 501 CZ ARG A 125 10.125 -0.836 8.863 1.00 0.00 C ATOM 502 NH1 ARG A 125 10.471 0.437 8.723 1.00 0.00 N ATOM 503 NH2 ARG A 125 11.037 -1.730 9.219 1.00 0.00 N ATOM 0 H ARG A 125 8.107 3.629 5.561 1.00 0.00 H new ATOM 0 HA ARG A 125 7.318 1.061 4.337 1.00 0.00 H new ATOM 0 HB2 ARG A 125 6.771 1.991 7.182 1.00 0.00 H new ATOM 0 HB3 ARG A 125 5.999 0.613 6.423 1.00 0.00 H new ATOM 0 HG2 ARG A 125 8.222 -0.473 6.146 1.00 0.00 H new ATOM 0 HG3 ARG A 125 8.986 0.901 6.920 1.00 0.00 H new ATOM 0 HD2 ARG A 125 7.697 0.487 8.988 1.00 0.00 H new ATOM 0 HD3 ARG A 125 6.854 -0.843 8.219 1.00 0.00 H new ATOM 0 HE ARG A 125 8.634 -2.199 8.782 1.00 0.00 H new ATOM 0 HH11 ARG A 125 9.772 1.129 8.453 1.00 0.00 H new ATOM 0 HH12 ARG A 125 11.436 0.724 8.886 1.00 0.00 H new ATOM 0 HH21 ARG A 125 10.775 -2.709 9.331 1.00 0.00 H new ATOM 0 HH22 ARG A 125 12.001 -1.439 9.380 1.00 0.00 H new ATOM 517 N VAL A 126 5.143 2.050 3.680 1.00 0.00 N ATOM 518 CA VAL A 126 3.920 2.675 3.195 1.00 0.00 C ATOM 519 C VAL A 126 2.682 2.057 3.840 1.00 0.00 C ATOM 520 O VAL A 126 2.545 0.831 3.906 1.00 0.00 O ATOM 521 CB VAL A 126 3.800 2.569 1.663 1.00 0.00 C ATOM 522 CG1 VAL A 126 4.935 3.321 0.988 1.00 0.00 C ATOM 523 CG2 VAL A 126 3.783 1.113 1.228 1.00 0.00 C ATOM 0 H VAL A 126 5.385 1.176 3.214 1.00 0.00 H new ATOM 0 HA VAL A 126 3.977 3.727 3.474 1.00 0.00 H new ATOM 0 HB VAL A 126 2.859 3.025 1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 126 4.835 3.236 -0.094 1.00 0.00 H new ATOM 0 HG12 VAL A 126 4.896 4.372 1.274 1.00 0.00 H new ATOM 0 HG13 VAL A 126 5.889 2.895 1.299 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.698 1.058 0.143 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.706 0.628 1.544 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.933 0.607 1.685 1.00 0.00 H new ATOM 533 N GLU A 127 1.783 2.917 4.311 1.00 0.00 N ATOM 534 CA GLU A 127 0.551 2.469 4.948 1.00 0.00 C ATOM 535 C GLU A 127 -0.612 2.502 3.960 1.00 0.00 C ATOM 536 O GLU A 127 -0.897 3.538 3.360 1.00 0.00 O ATOM 537 CB GLU A 127 0.226 3.351 6.156 1.00 0.00 C ATOM 538 CG GLU A 127 -0.997 2.890 6.933 1.00 0.00 C ATOM 539 CD GLU A 127 -1.291 3.763 8.137 1.00 0.00 C ATOM 540 OE1 GLU A 127 -0.538 4.734 8.367 1.00 0.00 O ATOM 541 OE2 GLU A 127 -2.274 3.476 8.852 1.00 0.00 O ATOM 0 H GLU A 127 1.886 3.931 4.263 1.00 0.00 H new ATOM 0 HA GLU A 127 0.697 1.442 5.283 1.00 0.00 H new ATOM 0 HB2 GLU A 127 1.086 3.368 6.825 1.00 0.00 H new ATOM 0 HB3 GLU A 127 0.066 4.374 5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -1.863 2.888 6.271 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -0.846 1.862 7.263 1.00 0.00 H new ATOM 548 N PHE A 128 -1.282 1.368 3.802 1.00 0.00 N ATOM 549 CA PHE A 128 -2.418 1.272 2.892 1.00 0.00 C ATOM 550 C PHE A 128 -3.729 1.531 3.626 1.00 0.00 C ATOM 551 O PHE A 128 -3.899 1.133 4.779 1.00 0.00 O ATOM 552 CB PHE A 128 -2.474 -0.105 2.223 1.00 0.00 C ATOM 553 CG PHE A 128 -1.308 -0.405 1.325 1.00 0.00 C ATOM 554 CD1 PHE A 128 -0.022 -0.484 1.834 1.00 0.00 C ATOM 555 CD2 PHE A 128 -1.501 -0.611 -0.033 1.00 0.00 C ATOM 556 CE1 PHE A 128 1.049 -0.763 1.007 1.00 0.00 C ATOM 557 CE2 PHE A 128 -0.432 -0.889 -0.864 1.00 0.00 C ATOM 558 CZ PHE A 128 0.844 -0.966 -0.343 1.00 0.00 C ATOM 0 H PHE A 128 -1.059 0.501 4.292 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.283 2.034 2.124 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -2.527 -0.870 2.998 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.393 -0.176 1.641 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.145 -0.326 2.889 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.497 -0.554 -0.446 1.00 0.00 H new ATOM 0 HE1 PHE A 128 2.047 -0.822 1.417 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.595 -1.046 -1.920 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.680 -1.185 -0.990 1.00 0.00 H new ATOM 568 N ARG A 129 -4.660 2.185 2.941 1.00 0.00 N ATOM 569 CA ARG A 129 -5.966 2.484 3.513 1.00 0.00 C ATOM 570 C ARG A 129 -6.978 2.750 2.404 1.00 0.00 C ATOM 571 O ARG A 129 -6.741 3.564 1.512 1.00 0.00 O ATOM 572 CB ARG A 129 -5.887 3.681 4.464 1.00 0.00 C ATOM 573 CG ARG A 129 -5.402 4.960 3.813 1.00 0.00 C ATOM 574 CD ARG A 129 -5.347 6.103 4.816 1.00 0.00 C ATOM 575 NE ARG A 129 -6.651 6.363 5.421 1.00 0.00 N ATOM 576 CZ ARG A 129 -6.862 7.286 6.354 1.00 0.00 C ATOM 577 NH1 ARG A 129 -5.859 8.035 6.793 1.00 0.00 N ATOM 578 NH2 ARG A 129 -8.080 7.461 6.853 1.00 0.00 N ATOM 0 H ARG A 129 -4.533 2.519 1.986 1.00 0.00 H new ATOM 0 HA ARG A 129 -6.294 1.618 4.088 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.874 3.856 4.892 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -5.221 3.431 5.290 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -4.412 4.800 3.385 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -6.066 5.226 2.990 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -4.626 5.865 5.598 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -4.992 7.005 4.318 1.00 0.00 H new ATOM 0 HE ARG A 129 -7.445 5.804 5.110 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -4.921 7.904 6.414 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -6.026 8.742 7.509 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -8.855 6.887 6.520 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -8.241 8.170 7.569 1.00 0.00 H new ATOM 592 N CYS A 130 -8.099 2.041 2.461 1.00 0.00 N ATOM 593 CA CYS A 130 -9.144 2.178 1.455 1.00 0.00 C ATOM 594 C CYS A 130 -10.140 3.268 1.837 1.00 0.00 C ATOM 595 O CYS A 130 -10.446 3.459 3.014 1.00 0.00 O ATOM 596 CB CYS A 130 -9.874 0.846 1.275 1.00 0.00 C ATOM 597 SG CYS A 130 -11.080 0.836 -0.089 1.00 0.00 S ATOM 0 H CYS A 130 -8.307 1.364 3.195 1.00 0.00 H new ATOM 0 HA CYS A 130 -8.672 2.464 0.515 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -9.138 0.061 1.100 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -10.389 0.598 2.203 1.00 0.00 H new ATOM 602 N ASP A 131 -10.643 3.975 0.828 1.00 0.00 N ATOM 603 CA ASP A 131 -11.610 5.046 1.045 1.00 0.00 C ATOM 604 C ASP A 131 -12.791 4.554 1.875 1.00 0.00 C ATOM 605 O ASP A 131 -13.128 3.370 1.845 1.00 0.00 O ATOM 606 CB ASP A 131 -12.109 5.589 -0.295 1.00 0.00 C ATOM 607 CG ASP A 131 -11.017 6.290 -1.080 1.00 0.00 C ATOM 608 OD1 ASP A 131 -9.992 5.643 -1.378 1.00 0.00 O ATOM 609 OD2 ASP A 131 -11.189 7.485 -1.398 1.00 0.00 O ATOM 0 H ASP A 131 -10.396 3.824 -0.150 1.00 0.00 H new ATOM 0 HA ASP A 131 -11.111 5.845 1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -12.510 4.768 -0.890 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -12.929 6.285 -0.119 1.00 0.00 H new ATOM 614 N PRO A 132 -13.441 5.461 2.630 1.00 0.00 N ATOM 615 CA PRO A 132 -14.590 5.121 3.470 1.00 0.00 C ATOM 616 C PRO A 132 -15.607 4.263 2.724 1.00 0.00 C ATOM 617 O PRO A 132 -15.646 4.269 1.493 1.00 0.00 O ATOM 618 CB PRO A 132 -15.199 6.484 3.841 1.00 0.00 C ATOM 619 CG PRO A 132 -14.444 7.504 3.046 1.00 0.00 C ATOM 620 CD PRO A 132 -13.115 6.888 2.725 1.00 0.00 C ATOM 0 HA PRO A 132 -14.297 4.533 4.340 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -16.262 6.514 3.604 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -15.105 6.675 4.910 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -14.983 7.763 2.135 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -14.318 8.425 3.615 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -12.704 7.273 1.792 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -12.378 7.085 3.503 1.00 0.00 H new ATOM 628 N ASP A 133 -16.411 3.514 3.482 1.00 0.00 N ATOM 629 CA ASP A 133 -17.425 2.627 2.909 1.00 0.00 C ATOM 630 C ASP A 133 -16.784 1.336 2.400 1.00 0.00 C ATOM 631 O ASP A 133 -17.372 0.260 2.500 1.00 0.00 O ATOM 632 CB ASP A 133 -18.194 3.325 1.779 1.00 0.00 C ATOM 633 CG ASP A 133 -19.346 2.492 1.248 1.00 0.00 C ATOM 634 OD1 ASP A 133 -19.590 1.395 1.793 1.00 0.00 O ATOM 635 OD2 ASP A 133 -20.010 2.943 0.292 1.00 0.00 O ATOM 0 H ASP A 133 -16.378 3.505 4.501 1.00 0.00 H new ATOM 0 HA ASP A 133 -18.135 2.376 3.697 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -18.578 4.278 2.142 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -17.507 3.549 0.963 1.00 0.00 H new ATOM 640 N PHE A 134 -15.570 1.448 1.866 1.00 0.00 N ATOM 641 CA PHE A 134 -14.848 0.286 1.359 1.00 0.00 C ATOM 642 C PHE A 134 -13.685 -0.055 2.289 1.00 0.00 C ATOM 643 O PHE A 134 -12.957 0.834 2.733 1.00 0.00 O ATOM 644 CB PHE A 134 -14.313 0.547 -0.054 1.00 0.00 C ATOM 645 CG PHE A 134 -15.362 0.851 -1.086 1.00 0.00 C ATOM 646 CD1 PHE A 134 -16.289 1.863 -0.892 1.00 0.00 C ATOM 647 CD2 PHE A 134 -15.413 0.119 -2.262 1.00 0.00 C ATOM 648 CE1 PHE A 134 -17.246 2.139 -1.850 1.00 0.00 C ATOM 649 CE2 PHE A 134 -16.368 0.390 -3.223 1.00 0.00 C ATOM 650 CZ PHE A 134 -17.286 1.400 -3.017 1.00 0.00 C ATOM 0 H PHE A 134 -15.067 2.331 1.774 1.00 0.00 H new ATOM 0 HA PHE A 134 -15.543 -0.553 1.320 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -13.613 1.382 -0.013 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -13.748 -0.327 -0.379 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -16.263 2.443 0.019 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -14.698 -0.673 -2.429 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -17.962 2.931 -1.687 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -16.396 -0.188 -4.135 1.00 0.00 H new ATOM 0 HZ PHE A 134 -18.034 1.612 -3.766 1.00 0.00 H new ATOM 660 N HIS A 135 -13.517 -1.339 2.591 1.00 0.00 N ATOM 661 CA HIS A 135 -12.442 -1.777 3.479 1.00 0.00 C ATOM 662 C HIS A 135 -11.401 -2.609 2.732 1.00 0.00 C ATOM 663 O HIS A 135 -11.743 -3.513 1.968 1.00 0.00 O ATOM 664 CB HIS A 135 -13.016 -2.586 4.643 1.00 0.00 C ATOM 665 CG HIS A 135 -13.743 -3.823 4.215 1.00 0.00 C ATOM 666 ND1 HIS A 135 -14.819 -3.804 3.353 1.00 0.00 N ATOM 667 CD2 HIS A 135 -13.545 -5.123 4.538 1.00 0.00 C ATOM 668 CE1 HIS A 135 -15.250 -5.039 3.163 1.00 0.00 C ATOM 669 NE2 HIS A 135 -14.494 -5.856 3.870 1.00 0.00 N ATOM 0 H HIS A 135 -14.107 -2.092 2.237 1.00 0.00 H new ATOM 0 HA HIS A 135 -11.947 -0.886 3.865 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -12.204 -2.866 5.314 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -13.697 -1.954 5.213 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -12.783 -5.511 5.198 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -16.080 -5.329 2.536 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -14.598 -6.870 3.913 1.00 0.00 H new ATOM 678 N LEU A 136 -10.127 -2.300 2.969 1.00 0.00 N ATOM 679 CA LEU A 136 -9.029 -3.021 2.331 1.00 0.00 C ATOM 680 C LEU A 136 -8.790 -4.353 3.040 1.00 0.00 C ATOM 681 O LEU A 136 -8.732 -4.410 4.269 1.00 0.00 O ATOM 682 CB LEU A 136 -7.758 -2.159 2.348 1.00 0.00 C ATOM 683 CG LEU A 136 -6.553 -2.724 1.584 1.00 0.00 C ATOM 684 CD1 LEU A 136 -5.540 -1.623 1.310 1.00 0.00 C ATOM 685 CD2 LEU A 136 -5.899 -3.853 2.365 1.00 0.00 C ATOM 0 H LEU A 136 -9.831 -1.554 3.599 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.293 -3.229 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -8.000 -1.181 1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.464 -2.001 3.386 1.00 0.00 H new ATOM 0 HG LEU A 136 -6.908 -3.123 0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -4.690 -2.037 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -6.006 -0.840 0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.197 -1.201 2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -5.047 -4.238 1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -5.558 -3.478 3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -6.622 -4.654 2.522 1.00 0.00 H new ATOM 697 N VAL A 137 -8.662 -5.423 2.261 1.00 0.00 N ATOM 698 CA VAL A 137 -8.441 -6.754 2.818 1.00 0.00 C ATOM 699 C VAL A 137 -7.242 -7.442 2.170 1.00 0.00 C ATOM 700 O VAL A 137 -7.406 -8.308 1.309 1.00 0.00 O ATOM 701 CB VAL A 137 -9.687 -7.643 2.641 1.00 0.00 C ATOM 702 CG1 VAL A 137 -9.482 -9.000 3.297 1.00 0.00 C ATOM 703 CG2 VAL A 137 -10.921 -6.955 3.203 1.00 0.00 C ATOM 0 H VAL A 137 -8.707 -5.395 1.242 1.00 0.00 H new ATOM 0 HA VAL A 137 -8.239 -6.620 3.881 1.00 0.00 H new ATOM 0 HB VAL A 137 -9.841 -7.803 1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -10.375 -9.610 3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -8.627 -9.499 2.841 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -9.297 -8.865 4.363 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -11.790 -7.599 3.068 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -10.776 -6.759 4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -11.083 -6.013 2.679 1.00 0.00 H new ATOM 713 N GLY A 138 -6.036 -7.058 2.581 1.00 0.00 N ATOM 714 CA GLY A 138 -4.845 -7.665 2.016 1.00 0.00 C ATOM 715 C GLY A 138 -3.568 -7.006 2.491 1.00 0.00 C ATOM 716 O GLY A 138 -3.320 -6.914 3.691 1.00 0.00 O ATOM 0 H GLY A 138 -5.864 -6.344 3.289 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -4.822 -8.723 2.279 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -4.895 -7.608 0.929 1.00 0.00 H new ATOM 720 N SER A 139 -2.758 -6.557 1.536 1.00 0.00 N ATOM 721 CA SER A 139 -1.489 -5.898 1.833 1.00 0.00 C ATOM 722 C SER A 139 -1.712 -4.507 2.423 1.00 0.00 C ATOM 723 O SER A 139 -1.280 -3.502 1.857 1.00 0.00 O ATOM 724 CB SER A 139 -0.644 -5.800 0.563 1.00 0.00 C ATOM 725 OG SER A 139 0.497 -4.989 0.766 1.00 0.00 O ATOM 0 H SER A 139 -2.961 -6.639 0.540 1.00 0.00 H new ATOM 0 HA SER A 139 -0.960 -6.497 2.574 1.00 0.00 H new ATOM 0 HB2 SER A 139 -0.333 -6.798 0.253 1.00 0.00 H new ATOM 0 HB3 SER A 139 -1.247 -5.388 -0.246 1.00 0.00 H new ATOM 0 HG SER A 139 0.216 -4.091 1.040 1.00 0.00 H new ATOM 731 N SER A 140 -2.392 -4.458 3.561 1.00 0.00 N ATOM 732 CA SER A 140 -2.676 -3.200 4.235 1.00 0.00 C ATOM 733 C SER A 140 -1.384 -2.455 4.564 1.00 0.00 C ATOM 734 O SER A 140 -1.383 -1.235 4.724 1.00 0.00 O ATOM 735 CB SER A 140 -3.484 -3.463 5.507 1.00 0.00 C ATOM 736 OG SER A 140 -3.830 -2.250 6.154 1.00 0.00 O ATOM 0 H SER A 140 -2.759 -5.281 4.038 1.00 0.00 H new ATOM 0 HA SER A 140 -3.264 -2.571 3.566 1.00 0.00 H new ATOM 0 HB2 SER A 140 -4.389 -4.017 5.258 1.00 0.00 H new ATOM 0 HB3 SER A 140 -2.905 -4.088 6.186 1.00 0.00 H new ATOM 0 HG SER A 140 -4.347 -2.447 6.963 1.00 0.00 H new ATOM 742 N ARG A 141 -0.286 -3.198 4.664 1.00 0.00 N ATOM 743 CA ARG A 141 1.016 -2.613 4.970 1.00 0.00 C ATOM 744 C ARG A 141 2.116 -3.286 4.152 1.00 0.00 C ATOM 745 O ARG A 141 2.104 -4.503 3.968 1.00 0.00 O ATOM 746 CB ARG A 141 1.317 -2.742 6.464 1.00 0.00 C ATOM 747 CG ARG A 141 1.287 -4.175 6.970 1.00 0.00 C ATOM 748 CD ARG A 141 1.552 -4.242 8.465 1.00 0.00 C ATOM 749 NE ARG A 141 0.569 -3.479 9.229 1.00 0.00 N ATOM 750 CZ ARG A 141 0.569 -3.397 10.558 1.00 0.00 C ATOM 751 NH1 ARG A 141 1.493 -4.033 11.265 1.00 0.00 N ATOM 752 NH2 ARG A 141 -0.357 -2.679 11.178 1.00 0.00 N ATOM 0 H ARG A 141 -0.272 -4.210 4.537 1.00 0.00 H new ATOM 0 HA ARG A 141 0.987 -1.556 4.706 1.00 0.00 H new ATOM 0 HB2 ARG A 141 2.299 -2.315 6.666 1.00 0.00 H new ATOM 0 HB3 ARG A 141 0.591 -2.153 7.024 1.00 0.00 H new ATOM 0 HG2 ARG A 141 0.316 -4.619 6.751 1.00 0.00 H new ATOM 0 HG3 ARG A 141 2.034 -4.765 6.440 1.00 0.00 H new ATOM 0 HD2 ARG A 141 1.536 -5.282 8.790 1.00 0.00 H new ATOM 0 HD3 ARG A 141 2.551 -3.858 8.674 1.00 0.00 H new ATOM 0 HE ARG A 141 -0.158 -2.981 8.716 1.00 0.00 H new ATOM 0 HH11 ARG A 141 2.206 -4.587 10.791 1.00 0.00 H new ATOM 0 HH12 ARG A 141 1.490 -3.968 12.283 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -1.070 -2.189 10.637 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -0.357 -2.616 12.196 1.00 0.00 H new ATOM 766 N SER A 142 3.066 -2.491 3.659 1.00 0.00 N ATOM 767 CA SER A 142 4.166 -3.030 2.858 1.00 0.00 C ATOM 768 C SER A 142 5.466 -2.277 3.123 1.00 0.00 C ATOM 769 O SER A 142 5.503 -1.047 3.086 1.00 0.00 O ATOM 770 CB SER A 142 3.824 -2.953 1.368 1.00 0.00 C ATOM 771 OG SER A 142 2.672 -3.719 1.069 1.00 0.00 O ATOM 0 H SER A 142 3.097 -1.481 3.798 1.00 0.00 H new ATOM 0 HA SER A 142 4.306 -4.072 3.146 1.00 0.00 H new ATOM 0 HB2 SER A 142 3.658 -1.914 1.083 1.00 0.00 H new ATOM 0 HB3 SER A 142 4.667 -3.314 0.779 1.00 0.00 H new ATOM 0 HG SER A 142 2.889 -4.380 0.379 1.00 0.00 H new ATOM 777 N VAL A 143 6.532 -3.027 3.388 1.00 0.00 N ATOM 778 CA VAL A 143 7.838 -2.435 3.656 1.00 0.00 C ATOM 779 C VAL A 143 8.709 -2.436 2.402 1.00 0.00 C ATOM 780 O VAL A 143 8.813 -3.447 1.708 1.00 0.00 O ATOM 781 CB VAL A 143 8.575 -3.185 4.782 1.00 0.00 C ATOM 782 CG1 VAL A 143 9.864 -2.465 5.145 1.00 0.00 C ATOM 783 CG2 VAL A 143 7.682 -3.327 6.005 1.00 0.00 C ATOM 0 H VAL A 143 6.516 -4.046 3.423 1.00 0.00 H new ATOM 0 HA VAL A 143 7.661 -1.407 3.972 1.00 0.00 H new ATOM 0 HB VAL A 143 8.826 -4.183 4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 143 10.372 -3.008 5.942 1.00 0.00 H new ATOM 0 HG12 VAL A 143 10.512 -2.415 4.270 1.00 0.00 H new ATOM 0 HG13 VAL A 143 9.634 -1.455 5.484 1.00 0.00 H new ATOM 0 HG21 VAL A 143 8.221 -3.859 6.789 1.00 0.00 H new ATOM 0 HG22 VAL A 143 7.400 -2.338 6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 143 6.785 -3.886 5.738 1.00 0.00 H new ATOM 793 N CYS A 144 9.334 -1.296 2.122 1.00 0.00 N ATOM 794 CA CYS A 144 10.202 -1.153 0.954 1.00 0.00 C ATOM 795 C CYS A 144 11.591 -1.741 1.227 1.00 0.00 C ATOM 796 O CYS A 144 12.608 -1.083 1.009 1.00 0.00 O ATOM 797 CB CYS A 144 10.310 0.327 0.569 1.00 0.00 C ATOM 798 SG CYS A 144 11.376 0.664 -0.870 1.00 0.00 S ATOM 0 H CYS A 144 9.256 -0.453 2.691 1.00 0.00 H new ATOM 0 HA CYS A 144 9.764 -1.707 0.124 1.00 0.00 H new ATOM 0 HB2 CYS A 144 9.310 0.708 0.360 1.00 0.00 H new ATOM 0 HB3 CYS A 144 10.691 0.884 1.425 1.00 0.00 H new ATOM 803 N SER A 145 11.623 -2.979 1.714 1.00 0.00 N ATOM 804 CA SER A 145 12.883 -3.651 2.025 1.00 0.00 C ATOM 805 C SER A 145 13.545 -4.229 0.774 1.00 0.00 C ATOM 806 O SER A 145 12.891 -4.869 -0.049 1.00 0.00 O ATOM 807 CB SER A 145 12.652 -4.764 3.048 1.00 0.00 C ATOM 808 OG SER A 145 12.142 -4.245 4.262 1.00 0.00 O ATOM 0 H SER A 145 10.791 -3.538 1.902 1.00 0.00 H new ATOM 0 HA SER A 145 13.555 -2.903 2.445 1.00 0.00 H new ATOM 0 HB2 SER A 145 11.955 -5.497 2.641 1.00 0.00 H new ATOM 0 HB3 SER A 145 13.589 -5.287 3.238 1.00 0.00 H new ATOM 0 HG SER A 145 12.002 -4.978 4.898 1.00 0.00 H new ATOM 814 N GLN A 146 14.854 -4.008 0.655 1.00 0.00 N ATOM 815 CA GLN A 146 15.633 -4.512 -0.477 1.00 0.00 C ATOM 816 C GLN A 146 14.980 -4.151 -1.811 1.00 0.00 C ATOM 817 O GLN A 146 14.846 -4.997 -2.696 1.00 0.00 O ATOM 818 CB GLN A 146 15.804 -6.032 -0.368 1.00 0.00 C ATOM 819 CG GLN A 146 16.783 -6.612 -1.379 1.00 0.00 C ATOM 820 CD GLN A 146 16.883 -8.122 -1.299 1.00 0.00 C ATOM 821 OE1 GLN A 146 17.248 -8.678 -0.264 1.00 0.00 O ATOM 822 NE2 GLN A 146 16.560 -8.795 -2.399 1.00 0.00 N ATOM 0 H GLN A 146 15.401 -3.479 1.334 1.00 0.00 H new ATOM 0 HA GLN A 146 16.614 -4.037 -0.444 1.00 0.00 H new ATOM 0 HB2 GLN A 146 16.145 -6.279 0.637 1.00 0.00 H new ATOM 0 HB3 GLN A 146 14.833 -6.508 -0.501 1.00 0.00 H new ATOM 0 HG2 GLN A 146 16.473 -6.326 -2.384 1.00 0.00 H new ATOM 0 HG3 GLN A 146 17.769 -6.178 -1.214 1.00 0.00 H new ATOM 0 HE21 GLN A 146 16.262 -8.293 -3.235 1.00 0.00 H new ATOM 0 HE22 GLN A 146 16.610 -9.814 -2.407 1.00 0.00 H new ATOM 831 N GLY A 147 14.577 -2.892 -1.953 1.00 0.00 N ATOM 832 CA GLY A 147 13.948 -2.454 -3.186 1.00 0.00 C ATOM 833 C GLY A 147 12.792 -3.348 -3.592 1.00 0.00 C ATOM 834 O GLY A 147 12.663 -3.721 -4.758 1.00 0.00 O ATOM 0 H GLY A 147 14.674 -2.170 -1.239 1.00 0.00 H new ATOM 0 HA2 GLY A 147 13.589 -1.432 -3.065 1.00 0.00 H new ATOM 0 HA3 GLY A 147 14.690 -2.439 -3.984 1.00 0.00 H new ATOM 838 N GLN A 148 11.954 -3.695 -2.622 1.00 0.00 N ATOM 839 CA GLN A 148 10.804 -4.556 -2.866 1.00 0.00 C ATOM 840 C GLN A 148 9.839 -4.495 -1.688 1.00 0.00 C ATOM 841 O GLN A 148 10.259 -4.402 -0.535 1.00 0.00 O ATOM 842 CB GLN A 148 11.259 -5.998 -3.102 1.00 0.00 C ATOM 843 CG GLN A 148 10.118 -6.964 -3.378 1.00 0.00 C ATOM 844 CD GLN A 148 10.606 -8.366 -3.683 1.00 0.00 C ATOM 845 OE1 GLN A 148 11.332 -8.585 -4.653 1.00 0.00 O ATOM 846 NE2 GLN A 148 10.211 -9.325 -2.855 1.00 0.00 N ATOM 0 H GLN A 148 12.051 -3.391 -1.653 1.00 0.00 H new ATOM 0 HA GLN A 148 10.289 -4.202 -3.759 1.00 0.00 H new ATOM 0 HB2 GLN A 148 11.951 -6.018 -3.944 1.00 0.00 H new ATOM 0 HB3 GLN A 148 11.811 -6.343 -2.228 1.00 0.00 H new ATOM 0 HG2 GLN A 148 9.454 -6.994 -2.514 1.00 0.00 H new ATOM 0 HG3 GLN A 148 9.530 -6.596 -4.219 1.00 0.00 H new ATOM 0 HE21 GLN A 148 9.609 -9.099 -2.063 1.00 0.00 H new ATOM 0 HE22 GLN A 148 10.509 -10.288 -3.011 1.00 0.00 H new ATOM 855 N TRP A 149 8.543 -4.533 -1.982 1.00 0.00 N ATOM 856 CA TRP A 149 7.528 -4.467 -0.939 1.00 0.00 C ATOM 857 C TRP A 149 7.267 -5.845 -0.341 1.00 0.00 C ATOM 858 O TRP A 149 7.234 -6.848 -1.054 1.00 0.00 O ATOM 859 CB TRP A 149 6.231 -3.880 -1.496 1.00 0.00 C ATOM 860 CG TRP A 149 6.433 -2.587 -2.225 1.00 0.00 C ATOM 861 CD1 TRP A 149 6.545 -2.418 -3.574 1.00 0.00 C ATOM 862 CD2 TRP A 149 6.574 -1.286 -1.643 1.00 0.00 C ATOM 863 NE1 TRP A 149 6.724 -1.089 -3.870 1.00 0.00 N ATOM 864 CE2 TRP A 149 6.749 -0.374 -2.702 1.00 0.00 C ATOM 865 CE3 TRP A 149 6.562 -0.801 -0.333 1.00 0.00 C ATOM 866 CZ2 TRP A 149 6.911 0.993 -2.488 1.00 0.00 C ATOM 867 CZ3 TRP A 149 6.726 0.555 -0.123 1.00 0.00 C ATOM 868 CH2 TRP A 149 6.898 1.438 -1.196 1.00 0.00 C ATOM 0 H TRP A 149 8.173 -4.609 -2.930 1.00 0.00 H new ATOM 0 HA TRP A 149 7.900 -3.817 -0.147 1.00 0.00 H new ATOM 0 HB2 TRP A 149 5.774 -4.603 -2.172 1.00 0.00 H new ATOM 0 HB3 TRP A 149 5.530 -3.722 -0.676 1.00 0.00 H new ATOM 0 HD1 TRP A 149 6.500 -3.214 -4.303 1.00 0.00 H new ATOM 0 HE1 TRP A 149 6.822 -0.698 -4.807 1.00 0.00 H new ATOM 0 HE3 TRP A 149 6.427 -1.474 0.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 7.042 1.677 -3.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 6.721 0.940 0.886 1.00 0.00 H new ATOM 0 HH2 TRP A 149 7.023 2.492 -0.998 1.00 0.00 H new ATOM 879 N SER A 150 7.094 -5.883 0.977 1.00 0.00 N ATOM 880 CA SER A 150 6.845 -7.134 1.684 1.00 0.00 C ATOM 881 C SER A 150 5.621 -7.854 1.126 1.00 0.00 C ATOM 882 O SER A 150 5.687 -9.038 0.795 1.00 0.00 O ATOM 883 CB SER A 150 6.656 -6.866 3.178 1.00 0.00 C ATOM 884 OG SER A 150 6.413 -8.069 3.886 1.00 0.00 O ATOM 0 H SER A 150 7.122 -5.059 1.578 1.00 0.00 H new ATOM 0 HA SER A 150 7.712 -7.778 1.539 1.00 0.00 H new ATOM 0 HB2 SER A 150 7.545 -6.378 3.578 1.00 0.00 H new ATOM 0 HB3 SER A 150 5.822 -6.179 3.325 1.00 0.00 H new ATOM 0 HG SER A 150 6.297 -7.870 4.839 1.00 0.00 H new ATOM 890 N THR A 151 4.505 -7.138 1.028 1.00 0.00 N ATOM 891 CA THR A 151 3.272 -7.725 0.513 1.00 0.00 C ATOM 892 C THR A 151 2.788 -7.016 -0.753 1.00 0.00 C ATOM 893 O THR A 151 2.761 -5.787 -0.816 1.00 0.00 O ATOM 894 CB THR A 151 2.155 -7.691 1.572 1.00 0.00 C ATOM 895 OG1 THR A 151 2.026 -6.370 2.106 1.00 0.00 O ATOM 896 CG2 THR A 151 2.445 -8.670 2.699 1.00 0.00 C ATOM 0 H THR A 151 4.429 -6.157 1.296 1.00 0.00 H new ATOM 0 HA THR A 151 3.502 -8.761 0.264 1.00 0.00 H new ATOM 0 HB THR A 151 1.222 -7.982 1.090 1.00 0.00 H new ATOM 0 HG1 THR A 151 1.720 -5.761 1.402 1.00 0.00 H new ATOM 0 HG21 THR A 151 1.641 -8.627 3.434 1.00 0.00 H new ATOM 0 HG22 THR A 151 2.514 -9.680 2.295 1.00 0.00 H new ATOM 0 HG23 THR A 151 3.388 -8.406 3.177 1.00 0.00 H new ATOM 904 N PRO A 152 2.397 -7.793 -1.782 1.00 0.00 N ATOM 905 CA PRO A 152 1.909 -7.247 -3.057 1.00 0.00 C ATOM 906 C PRO A 152 0.581 -6.512 -2.906 1.00 0.00 C ATOM 907 O PRO A 152 -0.262 -6.898 -2.096 1.00 0.00 O ATOM 908 CB PRO A 152 1.732 -8.488 -3.938 1.00 0.00 C ATOM 909 CG PRO A 152 1.556 -9.613 -2.978 1.00 0.00 C ATOM 910 CD PRO A 152 2.398 -9.269 -1.783 1.00 0.00 C ATOM 0 HA PRO A 152 2.598 -6.510 -3.469 1.00 0.00 H new ATOM 0 HB2 PRO A 152 0.867 -8.388 -4.593 1.00 0.00 H new ATOM 0 HB3 PRO A 152 2.600 -8.646 -4.578 1.00 0.00 H new ATOM 0 HG2 PRO A 152 0.509 -9.728 -2.698 1.00 0.00 H new ATOM 0 HG3 PRO A 152 1.873 -10.557 -3.420 1.00 0.00 H new ATOM 0 HD2 PRO A 152 1.975 -9.672 -0.863 1.00 0.00 H new ATOM 0 HD3 PRO A 152 3.407 -9.671 -1.873 1.00 0.00 H new ATOM 918 N LYS A 153 0.404 -5.451 -3.690 1.00 0.00 N ATOM 919 CA LYS A 153 -0.818 -4.649 -3.648 1.00 0.00 C ATOM 920 C LYS A 153 -2.060 -5.543 -3.663 1.00 0.00 C ATOM 921 O LYS A 153 -2.200 -6.410 -4.525 1.00 0.00 O ATOM 922 CB LYS A 153 -0.850 -3.687 -4.837 1.00 0.00 C ATOM 923 CG LYS A 153 -2.001 -2.697 -4.797 1.00 0.00 C ATOM 924 CD LYS A 153 -2.028 -1.824 -6.041 1.00 0.00 C ATOM 925 CE LYS A 153 -3.175 -0.830 -5.999 1.00 0.00 C ATOM 926 NZ LYS A 153 -4.497 -1.508 -5.908 1.00 0.00 N ATOM 0 H LYS A 153 1.095 -5.125 -4.366 1.00 0.00 H new ATOM 0 HA LYS A 153 -0.822 -4.076 -2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.090 -3.136 -4.871 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -0.913 -4.266 -5.758 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.944 -3.237 -4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -1.911 -2.068 -3.912 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -1.083 -1.287 -6.131 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -2.123 -2.453 -6.926 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -3.048 -0.166 -5.144 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -3.148 -0.207 -6.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -5.255 -0.814 -6.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -4.554 -2.256 -6.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -4.607 -1.928 -4.963 1.00 0.00 H new ATOM 940 N PRO A 154 -2.977 -5.350 -2.694 1.00 0.00 N ATOM 941 CA PRO A 154 -4.200 -6.143 -2.583 1.00 0.00 C ATOM 942 C PRO A 154 -5.372 -5.561 -3.370 1.00 0.00 C ATOM 943 O PRO A 154 -5.202 -5.048 -4.477 1.00 0.00 O ATOM 944 CB PRO A 154 -4.482 -6.080 -1.086 1.00 0.00 C ATOM 945 CG PRO A 154 -4.008 -4.726 -0.672 1.00 0.00 C ATOM 946 CD PRO A 154 -2.886 -4.347 -1.613 1.00 0.00 C ATOM 0 HA PRO A 154 -4.079 -7.147 -2.989 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -5.544 -6.210 -0.876 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -3.953 -6.867 -0.549 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -4.819 -4.000 -0.726 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -3.659 -4.738 0.360 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -3.010 -3.334 -1.996 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -1.917 -4.383 -1.115 1.00 0.00 H new ATOM 954 N HIS A 155 -6.563 -5.646 -2.779 1.00 0.00 N ATOM 955 CA HIS A 155 -7.781 -5.136 -3.398 1.00 0.00 C ATOM 956 C HIS A 155 -8.802 -4.771 -2.324 1.00 0.00 C ATOM 957 O HIS A 155 -8.857 -5.408 -1.271 1.00 0.00 O ATOM 958 CB HIS A 155 -8.369 -6.175 -4.357 1.00 0.00 C ATOM 959 CG HIS A 155 -8.676 -7.487 -3.704 1.00 0.00 C ATOM 960 ND1 HIS A 155 -7.714 -8.279 -3.114 1.00 0.00 N ATOM 961 CD2 HIS A 155 -9.851 -8.144 -3.546 1.00 0.00 C ATOM 962 CE1 HIS A 155 -8.281 -9.366 -2.623 1.00 0.00 C ATOM 963 NE2 HIS A 155 -9.576 -9.308 -2.870 1.00 0.00 N ATOM 0 H HIS A 155 -6.708 -6.069 -1.862 1.00 0.00 H new ATOM 0 HA HIS A 155 -7.534 -4.240 -3.968 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -9.282 -5.775 -4.797 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -7.667 -6.341 -5.175 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -10.821 -7.814 -3.887 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -7.771 -10.166 -2.107 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -10.262 -10.014 -2.602 1.00 0.00 H new ATOM 972 N CYS A 156 -9.600 -3.740 -2.583 1.00 0.00 N ATOM 973 CA CYS A 156 -10.603 -3.296 -1.620 1.00 0.00 C ATOM 974 C CYS A 156 -11.976 -3.871 -1.950 1.00 0.00 C ATOM 975 O CYS A 156 -12.419 -3.831 -3.099 1.00 0.00 O ATOM 976 CB CYS A 156 -10.675 -1.769 -1.591 1.00 0.00 C ATOM 977 SG CYS A 156 -11.655 -1.108 -0.210 1.00 0.00 S ATOM 0 H CYS A 156 -9.573 -3.198 -3.447 1.00 0.00 H new ATOM 0 HA CYS A 156 -10.304 -3.660 -0.637 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -9.663 -1.368 -1.531 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -11.103 -1.417 -2.530 1.00 0.00 H new ATOM 982 N GLN A 157 -12.647 -4.401 -0.932 1.00 0.00 N ATOM 983 CA GLN A 157 -13.973 -4.985 -1.105 1.00 0.00 C ATOM 984 C GLN A 157 -15.057 -4.039 -0.594 1.00 0.00 C ATOM 985 O GLN A 157 -14.917 -3.436 0.469 1.00 0.00 O ATOM 986 CB GLN A 157 -14.061 -6.324 -0.369 1.00 0.00 C ATOM 987 CG GLN A 157 -15.412 -7.007 -0.504 1.00 0.00 C ATOM 988 CD GLN A 157 -15.458 -8.348 0.202 1.00 0.00 C ATOM 989 OE1 GLN A 157 -14.693 -9.258 -0.119 1.00 0.00 O ATOM 990 NE2 GLN A 157 -16.359 -8.477 1.169 1.00 0.00 N ATOM 0 H GLN A 157 -12.293 -4.438 0.024 1.00 0.00 H new ATOM 0 HA GLN A 157 -14.134 -5.150 -2.170 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -13.287 -6.990 -0.751 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -13.849 -6.162 0.688 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -16.186 -6.358 -0.095 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -15.640 -7.148 -1.560 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -16.973 -7.696 1.402 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -16.437 -9.357 1.679 1.00 0.00 H new ATOM 999 N VAL A 158 -16.137 -3.920 -1.359 1.00 0.00 N ATOM 1000 CA VAL A 158 -17.247 -3.057 -0.987 1.00 0.00 C ATOM 1001 C VAL A 158 -18.254 -3.814 -0.134 1.00 0.00 C ATOM 1002 O VAL A 158 -18.638 -4.938 -0.461 1.00 0.00 O ATOM 1003 CB VAL A 158 -17.955 -2.488 -2.234 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -18.524 -3.608 -3.093 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -19.045 -1.506 -1.829 1.00 0.00 C ATOM 0 H VAL A 158 -16.265 -4.413 -2.243 1.00 0.00 H new ATOM 0 HA VAL A 158 -16.837 -2.229 -0.409 1.00 0.00 H new ATOM 0 HB VAL A 158 -17.217 -1.951 -2.830 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -19.018 -3.182 -3.966 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -17.716 -4.264 -3.417 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -19.246 -4.182 -2.512 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -19.533 -1.115 -2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -19.781 -2.015 -1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -18.603 -0.683 -1.268 1.00 0.00 H new ATOM 1015 N ASN A 159 -18.677 -3.200 0.962 1.00 0.00 N ATOM 1016 CA ASN A 159 -19.637 -3.832 1.853 1.00 0.00 C ATOM 1017 C ASN A 159 -21.011 -3.922 1.198 1.00 0.00 C ATOM 1018 O ASN A 159 -21.672 -2.870 1.066 1.00 0.00 O ATOM 1019 CB ASN A 159 -19.733 -3.063 3.173 1.00 0.00 C ATOM 1020 CG ASN A 159 -18.422 -3.048 3.933 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -17.901 -4.094 4.314 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -17.884 -1.855 4.159 1.00 0.00 N ATOM 1023 OXT ASN A 159 -21.415 -5.042 0.824 1.00 0.00 O ATOM 0 H ASN A 159 -18.373 -2.271 1.253 1.00 0.00 H new ATOM 0 HA ASN A 159 -19.287 -4.843 2.060 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -20.044 -2.038 2.971 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -20.506 -3.513 3.797 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -17.003 -1.781 4.668 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -18.352 -1.013 3.824 1.00 0.00 H new TER 1030 ASN A 159