USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=14 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 100 SER OG : rot 110:sc=0.000706 USER MOD Set 1.2: A 148 GLN : amide:sc= -1.03 K(o=-1,f=-3.7!) USER MOD Set 2.1: A 139 SER OG : rot 150:sc= 1.04 USER MOD Set 2.2: A 151 THR OG1 : rot -143:sc= 0.342 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 150:sc= -0.852 USER MOD Single : A 105 THR OG1 : rot -1:sc= 0.927 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ -140:sc= -3.22! (180deg=-5.81!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 HIS : no HD1:sc= -0.42 K(o=-0.42,f=-2) USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot -107:sc= 0.098 USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 146 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+ -168:sc= -0.577 (180deg=-0.829) USER MOD Single : A 155 HIS : no HD1:sc= -0.236 K(o=-0.24,f=-0.86) USER MOD Single : A 157 GLN :FLIP amide:sc= -0.611 F(o=-3.4!,f=-0.61) USER MOD Single : A 159 ASN : amide:sc= -1.69 K(o=-1.7,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 92 26.093 12.459 -5.377 1.00 0.00 N ATOM 2 CA GLU A 92 25.882 11.154 -6.057 1.00 0.00 C ATOM 3 C GLU A 92 25.431 10.084 -5.063 1.00 0.00 C ATOM 4 O GLU A 92 24.626 10.356 -4.172 1.00 0.00 O ATOM 5 CB GLU A 92 27.193 10.740 -6.735 1.00 0.00 C ATOM 6 CG GLU A 92 27.613 11.654 -7.877 1.00 0.00 C ATOM 7 CD GLU A 92 27.911 13.071 -7.422 1.00 0.00 C ATOM 8 OE1 GLU A 92 28.822 13.246 -6.586 1.00 0.00 O ATOM 9 OE2 GLU A 92 27.235 14.004 -7.905 1.00 0.00 O ATOM 0 HA GLU A 92 25.094 11.257 -6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 92 27.986 10.720 -5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 92 27.089 9.724 -7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 92 28.498 11.240 -8.360 1.00 0.00 H new ATOM 0 HG3 GLU A 92 26.822 11.677 -8.626 1.00 0.00 H new ATOM 18 N ALA A 93 25.953 8.868 -5.220 1.00 0.00 N ATOM 19 CA ALA A 93 25.602 7.761 -4.336 1.00 0.00 C ATOM 20 C ALA A 93 24.098 7.503 -4.348 1.00 0.00 C ATOM 21 O ALA A 93 23.477 7.341 -3.296 1.00 0.00 O ATOM 22 CB ALA A 93 26.084 8.041 -2.919 1.00 0.00 C ATOM 0 H ALA A 93 26.621 8.626 -5.952 1.00 0.00 H new ATOM 0 HA ALA A 93 26.099 6.864 -4.704 1.00 0.00 H new ATOM 0 HB1 ALA A 93 25.815 7.206 -2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 93 27.167 8.164 -2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 93 25.616 8.953 -2.549 1.00 0.00 H new ATOM 28 N GLU A 94 23.520 7.465 -5.544 1.00 0.00 N ATOM 29 CA GLU A 94 22.089 7.225 -5.695 1.00 0.00 C ATOM 30 C GLU A 94 21.711 5.840 -5.182 1.00 0.00 C ATOM 31 O GLU A 94 22.419 4.862 -5.425 1.00 0.00 O ATOM 32 CB GLU A 94 21.660 7.372 -7.160 1.00 0.00 C ATOM 33 CG GLU A 94 21.824 8.781 -7.714 1.00 0.00 C ATOM 34 CD GLU A 94 23.262 9.123 -8.061 1.00 0.00 C ATOM 35 OE1 GLU A 94 24.114 8.211 -8.047 1.00 0.00 O ATOM 36 OE2 GLU A 94 23.531 10.304 -8.368 1.00 0.00 O ATOM 0 H GLU A 94 24.020 7.597 -6.423 1.00 0.00 H new ATOM 0 HA GLU A 94 21.566 7.973 -5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 94 22.244 6.682 -7.770 1.00 0.00 H new ATOM 0 HB3 GLU A 94 20.615 7.075 -7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 94 21.206 8.888 -8.606 1.00 0.00 H new ATOM 0 HG3 GLU A 94 21.453 9.498 -6.982 1.00 0.00 H new ATOM 43 N PHE A 95 20.589 5.765 -4.473 1.00 0.00 N ATOM 44 CA PHE A 95 20.110 4.501 -3.924 1.00 0.00 C ATOM 45 C PHE A 95 19.896 3.483 -5.039 1.00 0.00 C ATOM 46 O PHE A 95 20.233 2.307 -4.893 1.00 0.00 O ATOM 47 CB PHE A 95 18.806 4.711 -3.146 1.00 0.00 C ATOM 48 CG PHE A 95 18.946 5.592 -1.931 1.00 0.00 C ATOM 49 CD1 PHE A 95 19.551 6.838 -2.018 1.00 0.00 C ATOM 50 CD2 PHE A 95 18.464 5.173 -0.701 1.00 0.00 C ATOM 51 CE1 PHE A 95 19.673 7.645 -0.902 1.00 0.00 C ATOM 52 CE2 PHE A 95 18.583 5.976 0.418 1.00 0.00 C ATOM 53 CZ PHE A 95 19.188 7.214 0.316 1.00 0.00 C ATOM 0 H PHE A 95 19.993 6.566 -4.265 1.00 0.00 H new ATOM 0 HA PHE A 95 20.866 4.118 -3.239 1.00 0.00 H new ATOM 0 HB2 PHE A 95 18.064 5.148 -3.814 1.00 0.00 H new ATOM 0 HB3 PHE A 95 18.422 3.740 -2.834 1.00 0.00 H new ATOM 0 HD1 PHE A 95 19.931 7.181 -2.969 1.00 0.00 H new ATOM 0 HD2 PHE A 95 17.989 4.207 -0.616 1.00 0.00 H new ATOM 0 HE1 PHE A 95 20.147 8.612 -0.983 1.00 0.00 H new ATOM 0 HE2 PHE A 95 18.204 5.636 1.370 1.00 0.00 H new ATOM 0 HZ PHE A 95 19.281 7.844 1.188 1.00 0.00 H new ATOM 63 N VAL A 96 19.341 3.950 -6.157 1.00 0.00 N ATOM 64 CA VAL A 96 19.083 3.096 -7.315 1.00 0.00 C ATOM 65 C VAL A 96 18.027 2.036 -7.011 1.00 0.00 C ATOM 66 O VAL A 96 17.999 1.463 -5.922 1.00 0.00 O ATOM 67 CB VAL A 96 20.372 2.402 -7.801 1.00 0.00 C ATOM 68 CG1 VAL A 96 20.089 1.538 -9.021 1.00 0.00 C ATOM 69 CG2 VAL A 96 21.449 3.431 -8.110 1.00 0.00 C ATOM 0 H VAL A 96 19.060 4.922 -6.285 1.00 0.00 H new ATOM 0 HA VAL A 96 18.709 3.749 -8.104 1.00 0.00 H new ATOM 0 HB VAL A 96 20.735 1.755 -7.002 1.00 0.00 H new ATOM 0 HG11 VAL A 96 21.011 1.057 -9.348 1.00 0.00 H new ATOM 0 HG12 VAL A 96 19.354 0.776 -8.764 1.00 0.00 H new ATOM 0 HG13 VAL A 96 19.699 2.161 -9.826 1.00 0.00 H new ATOM 0 HG21 VAL A 96 22.351 2.923 -8.451 1.00 0.00 H new ATOM 0 HG22 VAL A 96 21.095 4.105 -8.890 1.00 0.00 H new ATOM 0 HG23 VAL A 96 21.674 4.004 -7.210 1.00 0.00 H new ATOM 79 N ARG A 97 17.162 1.781 -7.992 1.00 0.00 N ATOM 80 CA ARG A 97 16.098 0.790 -7.852 1.00 0.00 C ATOM 81 C ARG A 97 15.131 1.175 -6.735 1.00 0.00 C ATOM 82 O ARG A 97 14.900 0.404 -5.803 1.00 0.00 O ATOM 83 CB ARG A 97 16.691 -0.598 -7.582 1.00 0.00 C ATOM 84 CG ARG A 97 15.658 -1.714 -7.608 1.00 0.00 C ATOM 85 CD ARG A 97 16.272 -3.053 -7.235 1.00 0.00 C ATOM 86 NE ARG A 97 15.287 -4.131 -7.265 1.00 0.00 N ATOM 87 CZ ARG A 97 15.560 -5.391 -6.943 1.00 0.00 C ATOM 88 NH1 ARG A 97 16.782 -5.732 -6.557 1.00 0.00 N ATOM 89 NH2 ARG A 97 14.609 -6.314 -7.004 1.00 0.00 N ATOM 0 H ARG A 97 17.179 2.251 -8.897 1.00 0.00 H new ATOM 0 HA ARG A 97 15.542 0.761 -8.789 1.00 0.00 H new ATOM 0 HB2 ARG A 97 17.459 -0.807 -8.326 1.00 0.00 H new ATOM 0 HB3 ARG A 97 17.183 -0.591 -6.609 1.00 0.00 H new ATOM 0 HG2 ARG A 97 14.849 -1.478 -6.916 1.00 0.00 H new ATOM 0 HG3 ARG A 97 15.217 -1.780 -8.603 1.00 0.00 H new ATOM 0 HD2 ARG A 97 17.084 -3.284 -7.924 1.00 0.00 H new ATOM 0 HD3 ARG A 97 16.708 -2.987 -6.238 1.00 0.00 H new ATOM 0 HE ARG A 97 14.334 -3.903 -7.550 1.00 0.00 H new ATOM 0 HH11 ARG A 97 17.516 -5.026 -6.506 1.00 0.00 H new ATOM 0 HH12 ARG A 97 16.987 -6.700 -6.311 1.00 0.00 H new ATOM 0 HH21 ARG A 97 13.667 -6.057 -7.298 1.00 0.00 H new ATOM 0 HH22 ARG A 97 14.820 -7.281 -6.757 1.00 0.00 H new ATOM 103 N ILE A 98 14.567 2.377 -6.834 1.00 0.00 N ATOM 104 CA ILE A 98 13.625 2.864 -5.836 1.00 0.00 C ATOM 105 C ILE A 98 12.461 1.892 -5.657 1.00 0.00 C ATOM 106 O ILE A 98 12.049 1.223 -6.604 1.00 0.00 O ATOM 107 CB ILE A 98 13.071 4.254 -6.211 1.00 0.00 C ATOM 108 CG1 ILE A 98 12.316 4.189 -7.542 1.00 0.00 C ATOM 109 CG2 ILE A 98 14.203 5.268 -6.285 1.00 0.00 C ATOM 110 CD1 ILE A 98 11.673 5.500 -7.940 1.00 0.00 C ATOM 0 H ILE A 98 14.748 3.030 -7.597 1.00 0.00 H new ATOM 0 HA ILE A 98 14.174 2.945 -4.898 1.00 0.00 H new ATOM 0 HB ILE A 98 12.372 4.572 -5.438 1.00 0.00 H new ATOM 0 HG12 ILE A 98 13.006 3.880 -8.327 1.00 0.00 H new ATOM 0 HG13 ILE A 98 11.545 3.421 -7.475 1.00 0.00 H new ATOM 0 HG21 ILE A 98 13.799 6.245 -6.550 1.00 0.00 H new ATOM 0 HG22 ILE A 98 14.699 5.331 -5.316 1.00 0.00 H new ATOM 0 HG23 ILE A 98 14.923 4.955 -7.041 1.00 0.00 H new ATOM 0 HD11 ILE A 98 11.157 5.378 -8.892 1.00 0.00 H new ATOM 0 HD12 ILE A 98 10.957 5.801 -7.175 1.00 0.00 H new ATOM 0 HD13 ILE A 98 12.441 6.267 -8.040 1.00 0.00 H new ATOM 122 N CYS A 99 11.944 1.815 -4.431 1.00 0.00 N ATOM 123 CA CYS A 99 10.832 0.921 -4.115 1.00 0.00 C ATOM 124 C CYS A 99 9.719 1.043 -5.153 1.00 0.00 C ATOM 125 O CYS A 99 9.512 2.112 -5.730 1.00 0.00 O ATOM 126 CB CYS A 99 10.274 1.235 -2.725 1.00 0.00 C ATOM 127 SG CYS A 99 11.525 1.270 -1.401 1.00 0.00 S ATOM 0 H CYS A 99 12.279 2.363 -3.639 1.00 0.00 H new ATOM 0 HA CYS A 99 11.211 -0.101 -4.129 1.00 0.00 H new ATOM 0 HB2 CYS A 99 9.771 2.202 -2.759 1.00 0.00 H new ATOM 0 HB3 CYS A 99 9.518 0.491 -2.474 1.00 0.00 H new ATOM 132 N SER A 100 9.012 -0.060 -5.392 1.00 0.00 N ATOM 133 CA SER A 100 7.924 -0.081 -6.366 1.00 0.00 C ATOM 134 C SER A 100 6.985 1.106 -6.172 1.00 0.00 C ATOM 135 O SER A 100 6.486 1.348 -5.073 1.00 0.00 O ATOM 136 CB SER A 100 7.139 -1.390 -6.256 1.00 0.00 C ATOM 137 OG SER A 100 7.973 -2.508 -6.504 1.00 0.00 O ATOM 0 H SER A 100 9.174 -0.951 -4.924 1.00 0.00 H new ATOM 0 HA SER A 100 8.364 -0.009 -7.360 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.701 -1.473 -5.261 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.313 -1.383 -6.968 1.00 0.00 H new ATOM 0 HG SER A 100 8.115 -3.001 -5.669 1.00 0.00 H new ATOM 143 N LYS A 101 6.754 1.842 -7.254 1.00 0.00 N ATOM 144 CA LYS A 101 5.883 3.011 -7.225 1.00 0.00 C ATOM 145 C LYS A 101 4.420 2.617 -7.420 1.00 0.00 C ATOM 146 O LYS A 101 3.513 3.336 -6.999 1.00 0.00 O ATOM 147 CB LYS A 101 6.307 4.005 -8.307 1.00 0.00 C ATOM 148 CG LYS A 101 5.473 5.277 -8.336 1.00 0.00 C ATOM 149 CD LYS A 101 5.912 6.203 -9.460 1.00 0.00 C ATOM 150 CE LYS A 101 5.738 5.548 -10.821 1.00 0.00 C ATOM 151 NZ LYS A 101 6.227 6.420 -11.925 1.00 0.00 N ATOM 0 H LYS A 101 7.162 1.647 -8.169 1.00 0.00 H new ATOM 0 HA LYS A 101 5.978 3.480 -6.246 1.00 0.00 H new ATOM 0 HB2 LYS A 101 7.353 4.271 -8.152 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.243 3.518 -9.280 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.421 5.021 -8.463 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.562 5.794 -7.381 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.331 7.125 -9.422 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.957 6.479 -9.319 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.278 4.602 -10.840 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.685 5.317 -10.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.090 5.937 -12.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.694 7.313 -11.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.238 6.620 -11.788 1.00 0.00 H new ATOM 165 N SER A 102 4.200 1.481 -8.074 1.00 0.00 N ATOM 166 CA SER A 102 2.849 0.995 -8.344 1.00 0.00 C ATOM 167 C SER A 102 2.014 0.923 -7.069 1.00 0.00 C ATOM 168 O SER A 102 0.836 1.279 -7.071 1.00 0.00 O ATOM 169 CB SER A 102 2.905 -0.382 -9.007 1.00 0.00 C ATOM 170 OG SER A 102 3.594 -0.326 -10.244 1.00 0.00 O ATOM 0 H SER A 102 4.942 0.877 -8.428 1.00 0.00 H new ATOM 0 HA SER A 102 2.372 1.704 -9.021 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.402 -1.089 -8.342 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.893 -0.753 -9.168 1.00 0.00 H new ATOM 0 HG SER A 102 3.617 -1.219 -10.646 1.00 0.00 H new ATOM 176 N TYR A 103 2.627 0.463 -5.982 1.00 0.00 N ATOM 177 CA TYR A 103 1.928 0.352 -4.705 1.00 0.00 C ATOM 178 C TYR A 103 1.349 1.700 -4.288 1.00 0.00 C ATOM 179 O TYR A 103 0.220 1.780 -3.800 1.00 0.00 O ATOM 180 CB TYR A 103 2.871 -0.171 -3.616 1.00 0.00 C ATOM 181 CG TYR A 103 3.341 -1.596 -3.831 1.00 0.00 C ATOM 182 CD1 TYR A 103 3.875 -2.003 -5.047 1.00 0.00 C ATOM 183 CD2 TYR A 103 3.251 -2.535 -2.809 1.00 0.00 C ATOM 184 CE1 TYR A 103 4.306 -3.303 -5.240 1.00 0.00 C ATOM 185 CE2 TYR A 103 3.680 -3.835 -2.994 1.00 0.00 C ATOM 186 CZ TYR A 103 4.206 -4.215 -4.211 1.00 0.00 C ATOM 187 OH TYR A 103 4.634 -5.508 -4.399 1.00 0.00 O ATOM 0 H TYR A 103 3.601 0.162 -5.959 1.00 0.00 H new ATOM 0 HA TYR A 103 1.109 -0.357 -4.830 1.00 0.00 H new ATOM 0 HB2 TYR A 103 3.742 0.482 -3.561 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.365 -0.109 -2.653 1.00 0.00 H new ATOM 0 HD1 TYR A 103 3.955 -1.292 -5.856 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.839 -2.243 -1.855 1.00 0.00 H new ATOM 0 HE1 TYR A 103 4.719 -3.602 -6.192 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.604 -4.551 -2.189 1.00 0.00 H new ATOM 0 HH TYR A 103 4.949 -5.875 -3.547 1.00 0.00 H new ATOM 197 N LEU A 104 2.128 2.759 -4.488 1.00 0.00 N ATOM 198 CA LEU A 104 1.699 4.109 -4.139 1.00 0.00 C ATOM 199 C LEU A 104 0.436 4.498 -4.901 1.00 0.00 C ATOM 200 O LEU A 104 -0.428 5.199 -4.374 1.00 0.00 O ATOM 201 CB LEU A 104 2.817 5.112 -4.431 1.00 0.00 C ATOM 202 CG LEU A 104 4.072 4.944 -3.572 1.00 0.00 C ATOM 203 CD1 LEU A 104 5.157 5.912 -4.019 1.00 0.00 C ATOM 204 CD2 LEU A 104 3.743 5.153 -2.101 1.00 0.00 C ATOM 0 H LEU A 104 3.063 2.707 -4.892 1.00 0.00 H new ATOM 0 HA LEU A 104 1.473 4.126 -3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.098 5.025 -5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.428 6.120 -4.287 1.00 0.00 H new ATOM 0 HG LEU A 104 4.444 3.927 -3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.042 5.779 -3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.412 5.717 -5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.795 6.935 -3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.647 5.030 -1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.347 6.158 -1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.999 4.421 -1.787 1.00 0.00 H new ATOM 216 N THR A 105 0.332 4.033 -6.142 1.00 0.00 N ATOM 217 CA THR A 105 -0.829 4.327 -6.973 1.00 0.00 C ATOM 218 C THR A 105 -1.886 3.240 -6.820 1.00 0.00 C ATOM 219 O THR A 105 -2.025 2.362 -7.672 1.00 0.00 O ATOM 220 CB THR A 105 -0.445 4.461 -8.458 1.00 0.00 C ATOM 221 OG1 THR A 105 0.187 3.259 -8.914 1.00 0.00 O ATOM 222 CG2 THR A 105 0.490 5.642 -8.671 1.00 0.00 C ATOM 0 H THR A 105 1.038 3.451 -6.594 1.00 0.00 H new ATOM 0 HA THR A 105 -1.235 5.280 -6.634 1.00 0.00 H new ATOM 0 HB THR A 105 -1.357 4.630 -9.030 1.00 0.00 H new ATOM 0 HG1 THR A 105 0.250 2.621 -8.173 1.00 0.00 H new ATOM 0 HG21 THR A 105 0.747 5.716 -9.728 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.005 6.560 -8.353 1.00 0.00 H new ATOM 0 HG23 THR A 105 1.398 5.497 -8.086 1.00 0.00 H new ATOM 230 N LEU A 106 -2.620 3.304 -5.714 1.00 0.00 N ATOM 231 CA LEU A 106 -3.660 2.326 -5.420 1.00 0.00 C ATOM 232 C LEU A 106 -5.018 2.823 -5.910 1.00 0.00 C ATOM 233 O LEU A 106 -5.454 3.918 -5.553 1.00 0.00 O ATOM 234 CB LEU A 106 -3.692 2.065 -3.906 1.00 0.00 C ATOM 235 CG LEU A 106 -4.609 0.932 -3.429 1.00 0.00 C ATOM 236 CD1 LEU A 106 -4.239 0.521 -2.011 1.00 0.00 C ATOM 237 CD2 LEU A 106 -6.069 1.350 -3.481 1.00 0.00 C ATOM 0 H LEU A 106 -2.512 4.028 -5.003 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.438 1.395 -5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -2.677 1.845 -3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.997 2.985 -3.407 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.472 0.083 -4.099 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -4.896 -0.284 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -3.205 0.177 -1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.350 1.376 -1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.696 0.527 -3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.223 2.216 -2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.338 1.607 -4.506 1.00 0.00 H new ATOM 249 N GLU A 107 -5.682 2.009 -6.727 1.00 0.00 N ATOM 250 CA GLU A 107 -6.992 2.367 -7.261 1.00 0.00 C ATOM 251 C GLU A 107 -8.035 2.388 -6.151 1.00 0.00 C ATOM 252 O GLU A 107 -8.173 1.420 -5.402 1.00 0.00 O ATOM 253 CB GLU A 107 -7.411 1.386 -8.360 1.00 0.00 C ATOM 254 CG GLU A 107 -7.546 -0.051 -7.879 1.00 0.00 C ATOM 255 CD GLU A 107 -7.974 -1.000 -8.983 1.00 0.00 C ATOM 256 OE1 GLU A 107 -8.158 -0.537 -10.128 1.00 0.00 O ATOM 257 OE2 GLU A 107 -8.127 -2.208 -8.701 1.00 0.00 O ATOM 0 H GLU A 107 -5.335 1.100 -7.033 1.00 0.00 H new ATOM 0 HA GLU A 107 -6.923 3.365 -7.693 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.363 1.710 -8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -6.678 1.423 -9.166 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -6.592 -0.384 -7.469 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.273 -0.092 -7.068 1.00 0.00 H new ATOM 264 N ASN A 108 -8.765 3.493 -6.045 1.00 0.00 N ATOM 265 CA ASN A 108 -9.790 3.633 -5.017 1.00 0.00 C ATOM 266 C ASN A 108 -9.165 3.583 -3.626 1.00 0.00 C ATOM 267 O ASN A 108 -9.634 2.859 -2.749 1.00 0.00 O ATOM 268 CB ASN A 108 -10.843 2.531 -5.157 1.00 0.00 C ATOM 269 CG ASN A 108 -11.598 2.616 -6.469 1.00 0.00 C ATOM 270 OD1 ASN A 108 -12.273 3.607 -6.746 1.00 0.00 O ATOM 271 ND2 ASN A 108 -11.484 1.575 -7.286 1.00 0.00 N ATOM 0 H ASN A 108 -8.666 4.303 -6.657 1.00 0.00 H new ATOM 0 HA ASN A 108 -10.274 4.601 -5.149 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -10.358 1.558 -5.082 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -11.549 2.600 -4.330 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -11.967 1.576 -8.184 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -10.913 0.774 -7.015 1.00 0.00 H new ATOM 278 N GLY A 109 -8.103 4.360 -3.431 1.00 0.00 N ATOM 279 CA GLY A 109 -7.432 4.389 -2.144 1.00 0.00 C ATOM 280 C GLY A 109 -6.618 5.649 -1.940 1.00 0.00 C ATOM 281 O GLY A 109 -6.805 6.638 -2.648 1.00 0.00 O ATOM 0 H GLY A 109 -7.696 4.969 -4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.174 4.308 -1.350 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -6.778 3.521 -2.060 1.00 0.00 H new ATOM 285 N LYS A 110 -5.715 5.616 -0.965 1.00 0.00 N ATOM 286 CA LYS A 110 -4.872 6.768 -0.665 1.00 0.00 C ATOM 287 C LYS A 110 -3.468 6.343 -0.245 1.00 0.00 C ATOM 288 O LYS A 110 -2.488 6.961 -0.651 1.00 0.00 O ATOM 289 CB LYS A 110 -5.505 7.620 0.439 1.00 0.00 C ATOM 290 CG LYS A 110 -6.866 8.191 0.068 1.00 0.00 C ATOM 291 CD LYS A 110 -7.451 9.050 1.182 1.00 0.00 C ATOM 292 CE LYS A 110 -6.693 10.361 1.355 1.00 0.00 C ATOM 293 NZ LYS A 110 -5.307 10.153 1.858 1.00 0.00 N ATOM 0 H LYS A 110 -5.548 4.805 -0.370 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.790 7.359 -1.577 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.608 7.014 1.339 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.831 8.441 0.683 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.773 8.789 -0.839 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.552 7.374 -0.157 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.497 9.263 0.963 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -7.428 8.493 2.118 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.655 10.885 0.400 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.236 11.003 2.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -5.077 10.889 2.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.237 9.217 2.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.638 10.208 1.064 1.00 0.00 H new ATOM 307 N VAL A 111 -3.397 5.289 0.579 1.00 0.00 N ATOM 308 CA VAL A 111 -2.138 4.745 1.092 1.00 0.00 C ATOM 309 C VAL A 111 -1.255 5.815 1.736 1.00 0.00 C ATOM 310 O VAL A 111 -1.102 6.918 1.217 1.00 0.00 O ATOM 311 CB VAL A 111 -1.351 3.955 0.024 1.00 0.00 C ATOM 312 CG1 VAL A 111 -0.924 4.827 -1.144 1.00 0.00 C ATOM 313 CG2 VAL A 111 -0.143 3.276 0.651 1.00 0.00 C ATOM 0 H VAL A 111 -4.221 4.787 0.910 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.424 4.041 1.873 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.023 3.195 -0.374 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.374 4.224 -1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.806 5.252 -1.623 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.284 5.632 -0.782 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.402 2.723 -0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.511 4.030 1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.475 2.588 1.428 1.00 0.00 H new ATOM 323 N PHE A 112 -0.686 5.477 2.890 1.00 0.00 N ATOM 324 CA PHE A 112 0.165 6.405 3.625 1.00 0.00 C ATOM 325 C PHE A 112 1.632 5.997 3.554 1.00 0.00 C ATOM 326 O PHE A 112 1.963 4.814 3.586 1.00 0.00 O ATOM 327 CB PHE A 112 -0.283 6.488 5.087 1.00 0.00 C ATOM 328 CG PHE A 112 -1.649 7.090 5.266 1.00 0.00 C ATOM 329 CD1 PHE A 112 -2.774 6.458 4.760 1.00 0.00 C ATOM 330 CD2 PHE A 112 -1.806 8.294 5.935 1.00 0.00 C ATOM 331 CE1 PHE A 112 -4.029 7.013 4.919 1.00 0.00 C ATOM 332 CE2 PHE A 112 -3.059 8.853 6.097 1.00 0.00 C ATOM 333 CZ PHE A 112 -4.172 8.212 5.589 1.00 0.00 C ATOM 0 H PHE A 112 -0.800 4.567 3.336 1.00 0.00 H new ATOM 0 HA PHE A 112 0.066 7.385 3.159 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.278 5.486 5.517 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.441 7.079 5.647 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -2.668 5.520 4.235 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.939 8.800 6.334 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.897 6.510 4.520 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.168 9.791 6.621 1.00 0.00 H new ATOM 0 HZ PHE A 112 -5.152 8.648 5.716 1.00 0.00 H new ATOM 343 N LEU A 113 2.506 6.995 3.462 1.00 0.00 N ATOM 344 CA LEU A 113 3.944 6.759 3.391 1.00 0.00 C ATOM 345 C LEU A 113 4.657 7.435 4.557 1.00 0.00 C ATOM 346 O LEU A 113 4.362 8.580 4.898 1.00 0.00 O ATOM 347 CB LEU A 113 4.499 7.275 2.059 1.00 0.00 C ATOM 348 CG LEU A 113 6.026 7.284 1.939 1.00 0.00 C ATOM 349 CD1 LEU A 113 6.605 5.912 2.248 1.00 0.00 C ATOM 350 CD2 LEU A 113 6.445 7.741 0.550 1.00 0.00 C ATOM 0 H LEU A 113 2.241 7.980 3.435 1.00 0.00 H new ATOM 0 HA LEU A 113 4.122 5.685 3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.093 6.662 1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.134 8.290 1.902 1.00 0.00 H new ATOM 0 HG LEU A 113 6.421 7.988 2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.691 5.946 2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.336 5.624 3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.204 5.181 1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 113 7.533 7.742 0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.034 7.061 -0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.069 8.748 0.369 1.00 0.00 H new ATOM 362 N THR A 114 5.596 6.717 5.166 1.00 0.00 N ATOM 363 CA THR A 114 6.350 7.247 6.297 1.00 0.00 C ATOM 364 C THR A 114 7.789 6.747 6.283 1.00 0.00 C ATOM 365 O THR A 114 8.051 5.578 5.987 1.00 0.00 O ATOM 366 CB THR A 114 5.701 6.862 7.641 1.00 0.00 C ATOM 367 OG1 THR A 114 5.594 5.437 7.744 1.00 0.00 O ATOM 368 CG2 THR A 114 4.324 7.492 7.783 1.00 0.00 C ATOM 0 H THR A 114 5.853 5.768 4.896 1.00 0.00 H new ATOM 0 HA THR A 114 6.342 8.332 6.196 1.00 0.00 H new ATOM 0 HB THR A 114 6.336 7.237 8.444 1.00 0.00 H new ATOM 0 HG1 THR A 114 5.182 5.201 8.601 1.00 0.00 H new ATOM 0 HG21 THR A 114 3.889 7.204 8.740 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.414 8.577 7.737 1.00 0.00 H new ATOM 0 HG23 THR A 114 3.681 7.147 6.974 1.00 0.00 H new ATOM 376 N GLY A 115 8.718 7.643 6.602 1.00 0.00 N ATOM 377 CA GLY A 115 10.123 7.285 6.620 1.00 0.00 C ATOM 378 C GLY A 115 10.653 6.953 5.241 1.00 0.00 C ATOM 379 O GLY A 115 11.380 5.974 5.068 1.00 0.00 O ATOM 0 H GLY A 115 8.521 8.613 6.849 1.00 0.00 H new ATOM 0 HA2 GLY A 115 10.700 8.110 7.039 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.268 6.428 7.278 1.00 0.00 H new ATOM 383 N GLY A 116 10.291 7.770 4.255 1.00 0.00 N ATOM 384 CA GLY A 116 10.750 7.537 2.899 1.00 0.00 C ATOM 385 C GLY A 116 10.246 8.576 1.917 1.00 0.00 C ATOM 386 O GLY A 116 9.053 8.869 1.867 1.00 0.00 O ATOM 0 H GLY A 116 9.690 8.586 4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 116 11.840 7.531 2.886 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.422 6.549 2.575 1.00 0.00 H new ATOM 390 N ASP A 117 11.167 9.120 1.126 1.00 0.00 N ATOM 391 CA ASP A 117 10.842 10.126 0.120 1.00 0.00 C ATOM 392 C ASP A 117 11.953 10.193 -0.921 1.00 0.00 C ATOM 393 O ASP A 117 13.107 10.452 -0.584 1.00 0.00 O ATOM 394 CB ASP A 117 10.658 11.505 0.764 1.00 0.00 C ATOM 395 CG ASP A 117 9.447 11.575 1.672 1.00 0.00 C ATOM 396 OD1 ASP A 117 8.320 11.365 1.175 1.00 0.00 O ATOM 397 OD2 ASP A 117 9.624 11.839 2.880 1.00 0.00 O ATOM 0 H ASP A 117 12.157 8.876 1.164 1.00 0.00 H new ATOM 0 HA ASP A 117 9.906 9.840 -0.360 1.00 0.00 H new ATOM 0 HB2 ASP A 117 11.551 11.755 1.337 1.00 0.00 H new ATOM 0 HB3 ASP A 117 10.562 12.257 -0.020 1.00 0.00 H new ATOM 402 N LEU A 118 11.596 9.955 -2.181 1.00 0.00 N ATOM 403 CA LEU A 118 12.561 9.975 -3.279 1.00 0.00 C ATOM 404 C LEU A 118 13.586 11.093 -3.096 1.00 0.00 C ATOM 405 O LEU A 118 13.229 12.229 -2.781 1.00 0.00 O ATOM 406 CB LEU A 118 11.828 10.145 -4.613 1.00 0.00 C ATOM 407 CG LEU A 118 12.716 10.228 -5.859 1.00 0.00 C ATOM 408 CD1 LEU A 118 13.351 8.877 -6.156 1.00 0.00 C ATOM 409 CD2 LEU A 118 11.902 10.696 -7.056 1.00 0.00 C ATOM 0 H LEU A 118 10.640 9.745 -2.468 1.00 0.00 H new ATOM 0 HA LEU A 118 13.097 9.026 -3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 118 11.140 9.309 -4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 118 11.224 11.050 -4.560 1.00 0.00 H new ATOM 0 HG LEU A 118 13.510 10.950 -5.667 1.00 0.00 H new ATOM 0 HD11 LEU A 118 13.978 8.957 -7.044 1.00 0.00 H new ATOM 0 HD12 LEU A 118 13.962 8.568 -5.308 1.00 0.00 H new ATOM 0 HD13 LEU A 118 12.569 8.138 -6.329 1.00 0.00 H new ATOM 0 HD21 LEU A 118 12.545 10.751 -7.934 1.00 0.00 H new ATOM 0 HD22 LEU A 118 11.092 9.991 -7.243 1.00 0.00 H new ATOM 0 HD23 LEU A 118 11.485 11.682 -6.850 1.00 0.00 H new ATOM 421 N PRO A 119 14.884 10.781 -3.283 1.00 0.00 N ATOM 422 CA PRO A 119 15.348 9.448 -3.656 1.00 0.00 C ATOM 423 C PRO A 119 15.711 8.573 -2.455 1.00 0.00 C ATOM 424 O PRO A 119 16.743 7.901 -2.461 1.00 0.00 O ATOM 425 CB PRO A 119 16.590 9.770 -4.478 1.00 0.00 C ATOM 426 CG PRO A 119 17.155 11.004 -3.844 1.00 0.00 C ATOM 427 CD PRO A 119 16.010 11.719 -3.156 1.00 0.00 C ATOM 0 HA PRO A 119 14.583 8.873 -4.178 1.00 0.00 H new ATOM 0 HB2 PRO A 119 17.306 8.948 -4.453 1.00 0.00 H new ATOM 0 HB3 PRO A 119 16.339 9.942 -5.525 1.00 0.00 H new ATOM 0 HG2 PRO A 119 17.934 10.746 -3.127 1.00 0.00 H new ATOM 0 HG3 PRO A 119 17.614 11.647 -4.595 1.00 0.00 H new ATOM 0 HD2 PRO A 119 16.240 11.929 -2.111 1.00 0.00 H new ATOM 0 HD3 PRO A 119 15.791 12.674 -3.633 1.00 0.00 H new ATOM 435 N ALA A 120 14.863 8.578 -1.430 1.00 0.00 N ATOM 436 CA ALA A 120 15.108 7.776 -0.234 1.00 0.00 C ATOM 437 C ALA A 120 14.685 6.325 -0.446 1.00 0.00 C ATOM 438 O ALA A 120 13.742 6.045 -1.186 1.00 0.00 O ATOM 439 CB ALA A 120 14.383 8.368 0.964 1.00 0.00 C ATOM 0 H ALA A 120 14.003 9.126 -1.403 1.00 0.00 H new ATOM 0 HA ALA A 120 16.180 7.790 -0.037 1.00 0.00 H new ATOM 0 HB1 ALA A 120 14.577 7.757 1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 120 14.740 9.383 1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 120 13.311 8.389 0.767 1.00 0.00 H new ATOM 445 N LEU A 121 15.390 5.407 0.209 1.00 0.00 N ATOM 446 CA LEU A 121 15.086 3.984 0.093 1.00 0.00 C ATOM 447 C LEU A 121 15.729 3.209 1.242 1.00 0.00 C ATOM 448 O LEU A 121 16.779 2.588 1.078 1.00 0.00 O ATOM 449 CB LEU A 121 15.579 3.443 -1.256 1.00 0.00 C ATOM 450 CG LEU A 121 14.911 2.147 -1.741 1.00 0.00 C ATOM 451 CD1 LEU A 121 15.423 1.779 -3.124 1.00 0.00 C ATOM 452 CD2 LEU A 121 15.151 1.000 -0.769 1.00 0.00 C ATOM 0 H LEU A 121 16.174 5.622 0.825 1.00 0.00 H new ATOM 0 HA LEU A 121 14.005 3.853 0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.427 4.213 -2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 121 16.653 3.272 -1.187 1.00 0.00 H new ATOM 0 HG LEU A 121 13.836 2.323 -1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 121 14.942 0.859 -3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 121 15.192 2.583 -3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 121 16.502 1.631 -3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 121 14.665 0.099 -1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 121 16.222 0.822 -0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 121 14.738 1.257 0.206 1.00 0.00 H new ATOM 464 N ASP A 122 15.090 3.257 2.407 1.00 0.00 N ATOM 465 CA ASP A 122 15.593 2.565 3.585 1.00 0.00 C ATOM 466 C ASP A 122 14.527 2.518 4.676 1.00 0.00 C ATOM 467 O ASP A 122 14.035 3.554 5.121 1.00 0.00 O ATOM 468 CB ASP A 122 16.844 3.268 4.108 1.00 0.00 C ATOM 469 CG ASP A 122 17.453 2.569 5.310 1.00 0.00 C ATOM 470 OD1 ASP A 122 16.926 1.512 5.717 1.00 0.00 O ATOM 471 OD2 ASP A 122 18.462 3.077 5.842 1.00 0.00 O ATOM 0 H ASP A 122 14.221 3.769 2.559 1.00 0.00 H new ATOM 0 HA ASP A 122 15.847 1.543 3.305 1.00 0.00 H new ATOM 0 HB2 ASP A 122 17.585 3.321 3.311 1.00 0.00 H new ATOM 0 HB3 ASP A 122 16.592 4.293 4.379 1.00 0.00 H new ATOM 476 N GLY A 123 14.180 1.307 5.100 1.00 0.00 N ATOM 477 CA GLY A 123 13.176 1.136 6.134 1.00 0.00 C ATOM 478 C GLY A 123 11.891 1.883 5.832 1.00 0.00 C ATOM 479 O GLY A 123 11.194 2.325 6.746 1.00 0.00 O ATOM 0 H GLY A 123 14.578 0.438 4.744 1.00 0.00 H new ATOM 0 HA2 GLY A 123 12.956 0.075 6.249 1.00 0.00 H new ATOM 0 HA3 GLY A 123 13.578 1.483 7.086 1.00 0.00 H new ATOM 483 N ALA A 124 11.573 2.020 4.549 1.00 0.00 N ATOM 484 CA ALA A 124 10.360 2.714 4.132 1.00 0.00 C ATOM 485 C ALA A 124 9.133 1.840 4.355 1.00 0.00 C ATOM 486 O ALA A 124 9.090 0.695 3.909 1.00 0.00 O ATOM 487 CB ALA A 124 10.463 3.122 2.669 1.00 0.00 C ATOM 0 H ALA A 124 12.138 1.660 3.780 1.00 0.00 H new ATOM 0 HA ALA A 124 10.252 3.613 4.740 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.551 3.639 2.370 1.00 0.00 H new ATOM 0 HB2 ALA A 124 11.317 3.786 2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 124 10.595 2.233 2.052 1.00 0.00 H new ATOM 493 N ARG A 125 8.135 2.381 5.046 1.00 0.00 N ATOM 494 CA ARG A 125 6.912 1.635 5.322 1.00 0.00 C ATOM 495 C ARG A 125 5.684 2.404 4.849 1.00 0.00 C ATOM 496 O ARG A 125 5.633 3.631 4.943 1.00 0.00 O ATOM 497 CB ARG A 125 6.793 1.332 6.817 1.00 0.00 C ATOM 498 CG ARG A 125 5.573 0.494 7.167 1.00 0.00 C ATOM 499 CD ARG A 125 5.493 0.211 8.658 1.00 0.00 C ATOM 500 NE ARG A 125 5.384 1.435 9.445 1.00 0.00 N ATOM 501 CZ ARG A 125 5.238 1.452 10.767 1.00 0.00 C ATOM 502 NH1 ARG A 125 5.174 0.313 11.445 1.00 0.00 N ATOM 503 NH2 ARG A 125 5.154 2.607 11.412 1.00 0.00 N ATOM 0 H ARG A 125 8.148 3.328 5.424 1.00 0.00 H new ATOM 0 HA ARG A 125 6.964 0.695 4.773 1.00 0.00 H new ATOM 0 HB2 ARG A 125 7.691 0.809 7.147 1.00 0.00 H new ATOM 0 HB3 ARG A 125 6.750 2.271 7.368 1.00 0.00 H new ATOM 0 HG2 ARG A 125 4.670 1.014 6.847 1.00 0.00 H new ATOM 0 HG3 ARG A 125 5.609 -0.448 6.619 1.00 0.00 H new ATOM 0 HD2 ARG A 125 4.632 -0.427 8.860 1.00 0.00 H new ATOM 0 HD3 ARG A 125 6.379 -0.342 8.969 1.00 0.00 H new ATOM 0 HE ARG A 125 5.422 2.328 8.954 1.00 0.00 H new ATOM 0 HH11 ARG A 125 5.237 -0.578 10.952 1.00 0.00 H new ATOM 0 HH12 ARG A 125 5.062 0.329 12.459 1.00 0.00 H new ATOM 0 HH21 ARG A 125 5.201 3.485 10.895 1.00 0.00 H new ATOM 0 HH22 ARG A 125 5.042 2.618 12.426 1.00 0.00 H new ATOM 517 N VAL A 126 4.696 1.674 4.339 1.00 0.00 N ATOM 518 CA VAL A 126 3.471 2.291 3.851 1.00 0.00 C ATOM 519 C VAL A 126 2.233 1.564 4.365 1.00 0.00 C ATOM 520 O VAL A 126 2.169 0.329 4.361 1.00 0.00 O ATOM 521 CB VAL A 126 3.427 2.328 2.312 1.00 0.00 C ATOM 522 CG1 VAL A 126 4.555 3.190 1.768 1.00 0.00 C ATOM 523 CG2 VAL A 126 3.496 0.922 1.737 1.00 0.00 C ATOM 0 H VAL A 126 4.721 0.658 4.254 1.00 0.00 H new ATOM 0 HA VAL A 126 3.470 3.312 4.232 1.00 0.00 H new ATOM 0 HB VAL A 126 2.479 2.771 2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 126 4.509 3.205 0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 126 4.453 4.206 2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 126 5.513 2.778 2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.463 0.972 0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.425 0.446 2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.649 0.339 2.099 1.00 0.00 H new ATOM 533 N GLU A 127 1.253 2.348 4.805 1.00 0.00 N ATOM 534 CA GLU A 127 0.002 1.813 5.324 1.00 0.00 C ATOM 535 C GLU A 127 -1.139 2.094 4.350 1.00 0.00 C ATOM 536 O GLU A 127 -1.804 3.126 4.447 1.00 0.00 O ATOM 537 CB GLU A 127 -0.310 2.441 6.685 1.00 0.00 C ATOM 538 CG GLU A 127 -1.535 1.851 7.366 1.00 0.00 C ATOM 539 CD GLU A 127 -1.825 2.497 8.707 1.00 0.00 C ATOM 540 OE1 GLU A 127 -1.066 3.406 9.106 1.00 0.00 O ATOM 541 OE2 GLU A 127 -2.812 2.095 9.359 1.00 0.00 O ATOM 0 H GLU A 127 1.305 3.367 4.811 1.00 0.00 H new ATOM 0 HA GLU A 127 0.106 0.734 5.442 1.00 0.00 H new ATOM 0 HB2 GLU A 127 0.553 2.316 7.339 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -0.459 3.513 6.555 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -2.401 1.970 6.715 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -1.387 0.780 7.507 1.00 0.00 H new ATOM 548 N PHE A 128 -1.354 1.182 3.407 1.00 0.00 N ATOM 549 CA PHE A 128 -2.409 1.353 2.415 1.00 0.00 C ATOM 550 C PHE A 128 -3.762 1.570 3.082 1.00 0.00 C ATOM 551 O PHE A 128 -4.073 0.953 4.101 1.00 0.00 O ATOM 552 CB PHE A 128 -2.487 0.144 1.479 1.00 0.00 C ATOM 553 CG PHE A 128 -1.202 -0.157 0.761 1.00 0.00 C ATOM 554 CD1 PHE A 128 -0.204 -0.888 1.382 1.00 0.00 C ATOM 555 CD2 PHE A 128 -0.993 0.290 -0.536 1.00 0.00 C ATOM 556 CE1 PHE A 128 0.977 -1.170 0.726 1.00 0.00 C ATOM 557 CE2 PHE A 128 0.189 0.011 -1.196 1.00 0.00 C ATOM 558 CZ PHE A 128 1.174 -0.721 -0.564 1.00 0.00 C ATOM 0 H PHE A 128 -0.815 0.322 3.309 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.160 2.238 1.829 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -2.782 -0.732 2.057 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.271 0.318 0.742 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -0.351 -1.242 2.392 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -1.762 0.862 -1.035 1.00 0.00 H new ATOM 0 HE1 PHE A 128 1.747 -1.742 1.222 1.00 0.00 H new ATOM 0 HE2 PHE A 128 0.342 0.365 -2.205 1.00 0.00 H new ATOM 0 HZ PHE A 128 2.098 -0.942 -1.078 1.00 0.00 H new ATOM 568 N ARG A 129 -4.561 2.451 2.492 1.00 0.00 N ATOM 569 CA ARG A 129 -5.886 2.759 3.012 1.00 0.00 C ATOM 570 C ARG A 129 -6.854 2.993 1.859 1.00 0.00 C ATOM 571 O ARG A 129 -6.569 3.766 0.945 1.00 0.00 O ATOM 572 CB ARG A 129 -5.832 3.999 3.909 1.00 0.00 C ATOM 573 CG ARG A 129 -7.174 4.376 4.519 1.00 0.00 C ATOM 574 CD ARG A 129 -7.660 3.327 5.506 1.00 0.00 C ATOM 575 NE ARG A 129 -6.721 3.133 6.610 1.00 0.00 N ATOM 576 CZ ARG A 129 -6.379 4.092 7.469 1.00 0.00 C ATOM 577 NH1 ARG A 129 -6.903 5.306 7.363 1.00 0.00 N ATOM 578 NH2 ARG A 129 -5.512 3.833 8.438 1.00 0.00 N ATOM 0 H ARG A 129 -4.312 2.967 1.648 1.00 0.00 H new ATOM 0 HA ARG A 129 -6.234 1.914 3.606 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.115 3.824 4.711 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -5.459 4.841 3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -7.086 5.338 5.025 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -7.912 4.499 3.726 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -8.630 3.626 5.904 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -7.807 2.381 4.985 1.00 0.00 H new ATOM 0 HE ARG A 129 -6.304 2.210 6.729 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -7.572 5.510 6.620 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -6.637 6.036 8.024 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -5.108 2.901 8.525 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -5.249 4.566 9.097 1.00 0.00 H new ATOM 592 N CYS A 130 -7.993 2.312 1.899 1.00 0.00 N ATOM 593 CA CYS A 130 -8.991 2.441 0.845 1.00 0.00 C ATOM 594 C CYS A 130 -9.968 3.571 1.150 1.00 0.00 C ATOM 595 O CYS A 130 -10.195 3.915 2.311 1.00 0.00 O ATOM 596 CB CYS A 130 -9.744 1.124 0.661 1.00 0.00 C ATOM 597 SG CYS A 130 -10.841 1.101 -0.791 1.00 0.00 S ATOM 0 H CYS A 130 -8.248 1.667 2.647 1.00 0.00 H new ATOM 0 HA CYS A 130 -8.473 2.683 -0.083 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -9.022 0.313 0.572 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -10.336 0.927 1.555 1.00 0.00 H new ATOM 602 N ASP A 131 -10.539 4.146 0.095 1.00 0.00 N ATOM 603 CA ASP A 131 -11.491 5.245 0.232 1.00 0.00 C ATOM 604 C ASP A 131 -12.619 4.885 1.195 1.00 0.00 C ATOM 605 O ASP A 131 -12.943 3.710 1.369 1.00 0.00 O ATOM 606 CB ASP A 131 -12.079 5.610 -1.134 1.00 0.00 C ATOM 607 CG ASP A 131 -12.768 4.439 -1.806 1.00 0.00 C ATOM 608 OD1 ASP A 131 -12.733 3.326 -1.245 1.00 0.00 O ATOM 609 OD2 ASP A 131 -13.338 4.635 -2.901 1.00 0.00 O ATOM 0 H ASP A 131 -10.358 3.867 -0.869 1.00 0.00 H new ATOM 0 HA ASP A 131 -10.953 6.102 0.637 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -12.793 6.425 -1.012 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -11.283 5.978 -1.781 1.00 0.00 H new ATOM 614 N PRO A 132 -13.241 5.898 1.828 1.00 0.00 N ATOM 615 CA PRO A 132 -14.344 5.688 2.768 1.00 0.00 C ATOM 616 C PRO A 132 -15.410 4.776 2.177 1.00 0.00 C ATOM 617 O PRO A 132 -15.521 4.659 0.957 1.00 0.00 O ATOM 618 CB PRO A 132 -14.906 7.099 3.008 1.00 0.00 C ATOM 619 CG PRO A 132 -14.246 7.975 1.994 1.00 0.00 C ATOM 620 CD PRO A 132 -12.932 7.324 1.674 1.00 0.00 C ATOM 0 HA PRO A 132 -14.015 5.202 3.687 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -15.990 7.114 2.892 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -14.689 7.440 4.020 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -14.862 8.069 1.100 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -14.097 8.981 2.386 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -12.597 7.560 0.664 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -12.143 7.645 2.355 1.00 0.00 H new ATOM 628 N ASP A 133 -16.171 4.114 3.050 1.00 0.00 N ATOM 629 CA ASP A 133 -17.218 3.185 2.623 1.00 0.00 C ATOM 630 C ASP A 133 -16.602 1.846 2.229 1.00 0.00 C ATOM 631 O ASP A 133 -17.226 0.796 2.377 1.00 0.00 O ATOM 632 CB ASP A 133 -18.032 3.758 1.459 1.00 0.00 C ATOM 633 CG ASP A 133 -18.623 5.119 1.775 1.00 0.00 C ATOM 634 OD1 ASP A 133 -18.402 5.618 2.900 1.00 0.00 O ATOM 635 OD2 ASP A 133 -19.306 5.689 0.897 1.00 0.00 O ATOM 0 H ASP A 133 -16.081 4.205 4.062 1.00 0.00 H new ATOM 0 HA ASP A 133 -17.897 3.033 3.462 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -17.394 3.839 0.579 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -18.836 3.066 1.207 1.00 0.00 H new ATOM 640 N PHE A 134 -15.364 1.891 1.744 1.00 0.00 N ATOM 641 CA PHE A 134 -14.649 0.684 1.348 1.00 0.00 C ATOM 642 C PHE A 134 -13.583 0.351 2.386 1.00 0.00 C ATOM 643 O PHE A 134 -13.074 1.242 3.067 1.00 0.00 O ATOM 644 CB PHE A 134 -13.979 0.853 -0.022 1.00 0.00 C ATOM 645 CG PHE A 134 -14.901 1.241 -1.142 1.00 0.00 C ATOM 646 CD1 PHE A 134 -15.601 2.436 -1.111 1.00 0.00 C ATOM 647 CD2 PHE A 134 -15.061 0.403 -2.235 1.00 0.00 C ATOM 648 CE1 PHE A 134 -16.444 2.788 -2.147 1.00 0.00 C ATOM 649 CE2 PHE A 134 -15.902 0.750 -3.274 1.00 0.00 C ATOM 650 CZ PHE A 134 -16.596 1.944 -3.230 1.00 0.00 C ATOM 0 H PHE A 134 -14.835 2.754 1.616 1.00 0.00 H new ATOM 0 HA PHE A 134 -15.375 -0.126 1.281 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -13.199 1.610 0.064 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -13.487 -0.083 -0.286 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -15.486 3.100 -0.267 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -14.522 -0.532 -2.274 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -16.984 3.723 -2.110 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -16.017 0.089 -4.120 1.00 0.00 H new ATOM 0 HZ PHE A 134 -17.256 2.217 -4.040 1.00 0.00 H new ATOM 660 N HIS A 135 -13.246 -0.929 2.512 1.00 0.00 N ATOM 661 CA HIS A 135 -12.238 -1.350 3.478 1.00 0.00 C ATOM 662 C HIS A 135 -11.229 -2.308 2.850 1.00 0.00 C ATOM 663 O HIS A 135 -11.602 -3.277 2.187 1.00 0.00 O ATOM 664 CB HIS A 135 -12.904 -2.010 4.689 1.00 0.00 C ATOM 665 CG HIS A 135 -13.700 -3.232 4.351 1.00 0.00 C ATOM 666 ND1 HIS A 135 -14.755 -3.223 3.461 1.00 0.00 N ATOM 667 CD2 HIS A 135 -13.593 -4.508 4.791 1.00 0.00 C ATOM 668 CE1 HIS A 135 -15.262 -4.440 3.370 1.00 0.00 C ATOM 669 NE2 HIS A 135 -14.574 -5.237 4.166 1.00 0.00 N ATOM 0 H HIS A 135 -13.652 -1.686 1.963 1.00 0.00 H new ATOM 0 HA HIS A 135 -11.700 -0.460 3.805 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -12.135 -2.278 5.413 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -13.558 -1.284 5.172 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -12.871 -4.882 5.501 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -16.097 -4.732 2.750 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -14.744 -6.234 4.296 1.00 0.00 H new ATOM 678 N LEU A 136 -9.947 -2.026 3.069 1.00 0.00 N ATOM 679 CA LEU A 136 -8.875 -2.859 2.534 1.00 0.00 C ATOM 680 C LEU A 136 -8.851 -4.212 3.237 1.00 0.00 C ATOM 681 O LEU A 136 -8.950 -4.285 4.462 1.00 0.00 O ATOM 682 CB LEU A 136 -7.528 -2.151 2.693 1.00 0.00 C ATOM 683 CG LEU A 136 -6.319 -2.915 2.147 1.00 0.00 C ATOM 684 CD1 LEU A 136 -6.525 -3.269 0.682 1.00 0.00 C ATOM 685 CD2 LEU A 136 -5.053 -2.093 2.325 1.00 0.00 C ATOM 0 H LEU A 136 -9.626 -1.226 3.614 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.059 -3.026 1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.583 -1.185 2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.363 -1.952 3.752 1.00 0.00 H new ATOM 0 HG LEU A 136 -6.213 -3.843 2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.655 -3.812 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -7.412 -3.894 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -6.656 -2.356 0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -4.201 -2.648 1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -5.152 -1.151 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -4.897 -1.890 3.384 1.00 0.00 H new ATOM 697 N VAL A 137 -8.740 -5.281 2.455 1.00 0.00 N ATOM 698 CA VAL A 137 -8.727 -6.630 3.009 1.00 0.00 C ATOM 699 C VAL A 137 -7.575 -7.465 2.450 1.00 0.00 C ATOM 700 O VAL A 137 -7.797 -8.389 1.667 1.00 0.00 O ATOM 701 CB VAL A 137 -10.053 -7.356 2.715 1.00 0.00 C ATOM 702 CG1 VAL A 137 -10.106 -8.697 3.434 1.00 0.00 C ATOM 703 CG2 VAL A 137 -11.238 -6.485 3.102 1.00 0.00 C ATOM 0 H VAL A 137 -8.658 -5.240 1.439 1.00 0.00 H new ATOM 0 HA VAL A 137 -8.593 -6.524 4.086 1.00 0.00 H new ATOM 0 HB VAL A 137 -10.108 -7.547 1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -11.051 -9.192 3.212 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -9.280 -9.324 3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -10.024 -8.537 4.509 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -12.165 -7.016 2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -11.189 -6.257 4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -11.210 -5.557 2.530 1.00 0.00 H new ATOM 713 N GLY A 138 -6.348 -7.146 2.848 1.00 0.00 N ATOM 714 CA GLY A 138 -5.211 -7.901 2.359 1.00 0.00 C ATOM 715 C GLY A 138 -3.884 -7.387 2.873 1.00 0.00 C ATOM 716 O GLY A 138 -3.722 -7.150 4.070 1.00 0.00 O ATOM 0 H GLY A 138 -6.123 -6.388 3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -5.325 -8.945 2.650 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -5.206 -7.872 1.269 1.00 0.00 H new ATOM 720 N SER A 139 -2.934 -7.229 1.958 1.00 0.00 N ATOM 721 CA SER A 139 -1.602 -6.750 2.284 1.00 0.00 C ATOM 722 C SER A 139 -1.615 -5.256 2.600 1.00 0.00 C ATOM 723 O SER A 139 -0.940 -4.465 1.942 1.00 0.00 O ATOM 724 CB SER A 139 -0.670 -7.030 1.114 1.00 0.00 C ATOM 725 OG SER A 139 -0.615 -8.416 0.826 1.00 0.00 O ATOM 0 H SER A 139 -3.070 -7.431 0.967 1.00 0.00 H new ATOM 0 HA SER A 139 -1.249 -7.274 3.172 1.00 0.00 H new ATOM 0 HB2 SER A 139 -1.013 -6.486 0.234 1.00 0.00 H new ATOM 0 HB3 SER A 139 0.330 -6.664 1.346 1.00 0.00 H new ATOM 0 HG SER A 139 -0.444 -8.545 -0.130 1.00 0.00 H new ATOM 731 N SER A 140 -2.394 -4.882 3.605 1.00 0.00 N ATOM 732 CA SER A 140 -2.517 -3.496 4.015 1.00 0.00 C ATOM 733 C SER A 140 -1.161 -2.891 4.374 1.00 0.00 C ATOM 734 O SER A 140 -0.963 -1.682 4.252 1.00 0.00 O ATOM 735 CB SER A 140 -3.470 -3.407 5.205 1.00 0.00 C ATOM 736 OG SER A 140 -2.931 -4.061 6.341 1.00 0.00 O ATOM 0 H SER A 140 -2.956 -5.531 4.156 1.00 0.00 H new ATOM 0 HA SER A 140 -2.916 -2.923 3.178 1.00 0.00 H new ATOM 0 HB2 SER A 140 -3.664 -2.361 5.442 1.00 0.00 H new ATOM 0 HB3 SER A 140 -4.427 -3.857 4.943 1.00 0.00 H new ATOM 0 HG SER A 140 -3.560 -3.988 7.089 1.00 0.00 H new ATOM 742 N ARG A 141 -0.234 -3.731 4.825 1.00 0.00 N ATOM 743 CA ARG A 141 1.097 -3.263 5.208 1.00 0.00 C ATOM 744 C ARG A 141 2.170 -3.730 4.226 1.00 0.00 C ATOM 745 O ARG A 141 2.155 -4.871 3.767 1.00 0.00 O ATOM 746 CB ARG A 141 1.441 -3.748 6.618 1.00 0.00 C ATOM 747 CG ARG A 141 0.525 -3.190 7.696 1.00 0.00 C ATOM 748 CD ARG A 141 0.609 -1.673 7.771 1.00 0.00 C ATOM 749 NE ARG A 141 -0.215 -1.127 8.849 1.00 0.00 N ATOM 750 CZ ARG A 141 -0.020 -1.393 10.138 1.00 0.00 C ATOM 751 NH1 ARG A 141 0.971 -2.190 10.514 1.00 0.00 N ATOM 752 NH2 ARG A 141 -0.815 -0.857 11.053 1.00 0.00 N ATOM 0 H ARG A 141 -0.377 -4.735 4.934 1.00 0.00 H new ATOM 0 HA ARG A 141 1.078 -2.173 5.189 1.00 0.00 H new ATOM 0 HB2 ARG A 141 1.393 -4.837 6.640 1.00 0.00 H new ATOM 0 HB3 ARG A 141 2.470 -3.470 6.848 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -0.503 -3.488 7.491 1.00 0.00 H new ATOM 0 HG3 ARG A 141 0.795 -3.618 8.661 1.00 0.00 H new ATOM 0 HD2 ARG A 141 1.647 -1.375 7.923 1.00 0.00 H new ATOM 0 HD3 ARG A 141 0.290 -1.246 6.820 1.00 0.00 H new ATOM 0 HE ARG A 141 -0.984 -0.506 8.598 1.00 0.00 H new ATOM 0 HH11 ARG A 141 1.588 -2.602 9.814 1.00 0.00 H new ATOM 0 HH12 ARG A 141 1.116 -2.391 11.503 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -1.576 -0.241 10.769 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -0.665 -1.061 12.041 1.00 0.00 H new ATOM 766 N SER A 142 3.107 -2.834 3.918 1.00 0.00 N ATOM 767 CA SER A 142 4.204 -3.141 3.001 1.00 0.00 C ATOM 768 C SER A 142 5.442 -2.319 3.356 1.00 0.00 C ATOM 769 O SER A 142 5.332 -1.157 3.745 1.00 0.00 O ATOM 770 CB SER A 142 3.791 -2.865 1.555 1.00 0.00 C ATOM 771 OG SER A 142 2.730 -3.716 1.155 1.00 0.00 O ATOM 0 H SER A 142 3.128 -1.885 4.292 1.00 0.00 H new ATOM 0 HA SER A 142 4.443 -4.200 3.099 1.00 0.00 H new ATOM 0 HB2 SER A 142 3.484 -1.824 1.454 1.00 0.00 H new ATOM 0 HB3 SER A 142 4.646 -3.011 0.895 1.00 0.00 H new ATOM 0 HG SER A 142 3.072 -4.399 0.541 1.00 0.00 H new ATOM 777 N VAL A 143 6.618 -2.931 3.233 1.00 0.00 N ATOM 778 CA VAL A 143 7.868 -2.251 3.557 1.00 0.00 C ATOM 779 C VAL A 143 9.005 -2.693 2.637 1.00 0.00 C ATOM 780 O VAL A 143 9.160 -3.879 2.345 1.00 0.00 O ATOM 781 CB VAL A 143 8.275 -2.511 5.021 1.00 0.00 C ATOM 782 CG1 VAL A 143 8.390 -4.004 5.288 1.00 0.00 C ATOM 783 CG2 VAL A 143 9.578 -1.801 5.356 1.00 0.00 C ATOM 0 H VAL A 143 6.730 -3.893 2.913 1.00 0.00 H new ATOM 0 HA VAL A 143 7.693 -1.185 3.412 1.00 0.00 H new ATOM 0 HB VAL A 143 7.496 -2.107 5.667 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.678 -4.167 6.327 1.00 0.00 H new ATOM 0 HG12 VAL A 143 7.429 -4.483 5.099 1.00 0.00 H new ATOM 0 HG13 VAL A 143 9.145 -4.434 4.630 1.00 0.00 H new ATOM 0 HG21 VAL A 143 9.844 -2.000 6.394 1.00 0.00 H new ATOM 0 HG22 VAL A 143 10.370 -2.166 4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 143 9.455 -0.728 5.212 1.00 0.00 H new ATOM 793 N CYS A 144 9.801 -1.724 2.188 1.00 0.00 N ATOM 794 CA CYS A 144 10.930 -1.999 1.304 1.00 0.00 C ATOM 795 C CYS A 144 11.928 -2.937 1.978 1.00 0.00 C ATOM 796 O CYS A 144 11.952 -3.057 3.203 1.00 0.00 O ATOM 797 CB CYS A 144 11.633 -0.697 0.913 1.00 0.00 C ATOM 798 SG CYS A 144 10.529 0.581 0.229 1.00 0.00 S ATOM 0 H CYS A 144 9.683 -0.739 2.423 1.00 0.00 H new ATOM 0 HA CYS A 144 10.544 -2.481 0.406 1.00 0.00 H new ATOM 0 HB2 CYS A 144 12.136 -0.293 1.791 1.00 0.00 H new ATOM 0 HB3 CYS A 144 12.406 -0.923 0.178 1.00 0.00 H new ATOM 803 N SER A 145 12.750 -3.600 1.169 1.00 0.00 N ATOM 804 CA SER A 145 13.750 -4.529 1.686 1.00 0.00 C ATOM 805 C SER A 145 14.810 -4.819 0.632 1.00 0.00 C ATOM 806 O SER A 145 15.967 -5.095 0.951 1.00 0.00 O ATOM 807 CB SER A 145 13.088 -5.832 2.137 1.00 0.00 C ATOM 808 OG SER A 145 14.047 -6.736 2.661 1.00 0.00 O ATOM 0 H SER A 145 12.743 -3.511 0.153 1.00 0.00 H new ATOM 0 HA SER A 145 14.233 -4.065 2.546 1.00 0.00 H new ATOM 0 HB2 SER A 145 12.334 -5.617 2.894 1.00 0.00 H new ATOM 0 HB3 SER A 145 12.572 -6.292 1.294 1.00 0.00 H new ATOM 0 HG SER A 145 13.599 -7.561 2.944 1.00 0.00 H new ATOM 814 N GLN A 146 14.399 -4.754 -0.625 1.00 0.00 N ATOM 815 CA GLN A 146 15.295 -5.005 -1.749 1.00 0.00 C ATOM 816 C GLN A 146 14.643 -4.542 -3.049 1.00 0.00 C ATOM 817 O GLN A 146 14.459 -5.324 -3.983 1.00 0.00 O ATOM 818 CB GLN A 146 15.645 -6.494 -1.828 1.00 0.00 C ATOM 819 CG GLN A 146 16.701 -6.819 -2.875 1.00 0.00 C ATOM 820 CD GLN A 146 17.068 -8.291 -2.897 1.00 0.00 C ATOM 821 OE1 GLN A 146 16.219 -9.150 -3.135 1.00 0.00 O ATOM 822 NE2 GLN A 146 18.337 -8.587 -2.646 1.00 0.00 N ATOM 0 H GLN A 146 13.442 -4.528 -0.896 1.00 0.00 H new ATOM 0 HA GLN A 146 16.216 -4.442 -1.598 1.00 0.00 H new ATOM 0 HB2 GLN A 146 15.999 -6.827 -0.852 1.00 0.00 H new ATOM 0 HB3 GLN A 146 14.740 -7.060 -2.050 1.00 0.00 H new ATOM 0 HG2 GLN A 146 16.334 -6.525 -3.859 1.00 0.00 H new ATOM 0 HG3 GLN A 146 17.596 -6.228 -2.679 1.00 0.00 H new ATOM 0 HE21 GLN A 146 19.006 -7.842 -2.454 1.00 0.00 H new ATOM 0 HE22 GLN A 146 18.643 -9.560 -2.645 1.00 0.00 H new ATOM 831 N GLY A 147 14.276 -3.265 -3.090 1.00 0.00 N ATOM 832 CA GLY A 147 13.628 -2.714 -4.265 1.00 0.00 C ATOM 833 C GLY A 147 12.246 -3.300 -4.464 1.00 0.00 C ATOM 834 O GLY A 147 11.825 -3.553 -5.592 1.00 0.00 O ATOM 0 H GLY A 147 14.416 -2.601 -2.328 1.00 0.00 H new ATOM 0 HA2 GLY A 147 13.554 -1.631 -4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 147 14.239 -2.913 -5.146 1.00 0.00 H new ATOM 838 N GLN A 148 11.547 -3.516 -3.354 1.00 0.00 N ATOM 839 CA GLN A 148 10.201 -4.083 -3.373 1.00 0.00 C ATOM 840 C GLN A 148 9.433 -3.670 -2.123 1.00 0.00 C ATOM 841 O GLN A 148 9.660 -2.597 -1.564 1.00 0.00 O ATOM 842 CB GLN A 148 10.274 -5.613 -3.444 1.00 0.00 C ATOM 843 CG GLN A 148 10.842 -6.153 -4.748 1.00 0.00 C ATOM 844 CD GLN A 148 9.922 -5.915 -5.930 1.00 0.00 C ATOM 845 OE1 GLN A 148 9.595 -4.776 -6.261 1.00 0.00 O ATOM 846 NE2 GLN A 148 9.500 -6.996 -6.575 1.00 0.00 N ATOM 0 H GLN A 148 11.895 -3.304 -2.419 1.00 0.00 H new ATOM 0 HA GLN A 148 9.681 -3.704 -4.253 1.00 0.00 H new ATOM 0 HB2 GLN A 148 10.886 -5.975 -2.618 1.00 0.00 H new ATOM 0 HB3 GLN A 148 9.273 -6.020 -3.301 1.00 0.00 H new ATOM 0 HG2 GLN A 148 11.806 -5.682 -4.942 1.00 0.00 H new ATOM 0 HG3 GLN A 148 11.025 -7.223 -4.645 1.00 0.00 H new ATOM 0 HE21 GLN A 148 9.796 -7.922 -6.266 1.00 0.00 H new ATOM 0 HE22 GLN A 148 8.880 -6.900 -7.379 1.00 0.00 H new ATOM 855 N TRP A 149 8.532 -4.539 -1.691 1.00 0.00 N ATOM 856 CA TRP A 149 7.725 -4.291 -0.501 1.00 0.00 C ATOM 857 C TRP A 149 7.437 -5.600 0.226 1.00 0.00 C ATOM 858 O TRP A 149 7.471 -6.672 -0.377 1.00 0.00 O ATOM 859 CB TRP A 149 6.412 -3.592 -0.862 1.00 0.00 C ATOM 860 CG TRP A 149 6.606 -2.251 -1.503 1.00 0.00 C ATOM 861 CD1 TRP A 149 6.748 -1.991 -2.836 1.00 0.00 C ATOM 862 CD2 TRP A 149 6.704 -0.989 -0.834 1.00 0.00 C ATOM 863 NE1 TRP A 149 6.912 -0.641 -3.038 1.00 0.00 N ATOM 864 CE2 TRP A 149 6.892 -0.006 -1.824 1.00 0.00 C ATOM 865 CE3 TRP A 149 6.647 -0.594 0.505 1.00 0.00 C ATOM 866 CZ2 TRP A 149 7.022 1.346 -1.515 1.00 0.00 C ATOM 867 CZ3 TRP A 149 6.778 0.748 0.809 1.00 0.00 C ATOM 868 CH2 TRP A 149 6.963 1.704 -0.196 1.00 0.00 C ATOM 0 H TRP A 149 8.339 -5.430 -2.149 1.00 0.00 H new ATOM 0 HA TRP A 149 8.292 -3.634 0.159 1.00 0.00 H new ATOM 0 HB2 TRP A 149 5.844 -4.230 -1.538 1.00 0.00 H new ATOM 0 HB3 TRP A 149 5.813 -3.471 0.041 1.00 0.00 H new ATOM 0 HD1 TRP A 149 6.734 -2.737 -3.617 1.00 0.00 H new ATOM 0 HE1 TRP A 149 7.029 -0.186 -3.944 1.00 0.00 H new ATOM 0 HE3 TRP A 149 6.503 -1.324 1.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 7.164 2.085 -2.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 6.737 1.064 1.841 1.00 0.00 H new ATOM 0 HH2 TRP A 149 7.061 2.745 0.075 1.00 0.00 H new ATOM 879 N SER A 150 7.172 -5.502 1.526 1.00 0.00 N ATOM 880 CA SER A 150 6.895 -6.675 2.349 1.00 0.00 C ATOM 881 C SER A 150 5.987 -7.663 1.623 1.00 0.00 C ATOM 882 O SER A 150 6.287 -8.855 1.551 1.00 0.00 O ATOM 883 CB SER A 150 6.247 -6.253 3.669 1.00 0.00 C ATOM 884 OG SER A 150 5.970 -7.379 4.485 1.00 0.00 O ATOM 0 H SER A 150 7.143 -4.618 2.034 1.00 0.00 H new ATOM 0 HA SER A 150 7.845 -7.170 2.552 1.00 0.00 H new ATOM 0 HB2 SER A 150 6.909 -5.569 4.200 1.00 0.00 H new ATOM 0 HB3 SER A 150 5.323 -5.710 3.467 1.00 0.00 H new ATOM 0 HG SER A 150 5.558 -7.082 5.323 1.00 0.00 H new ATOM 890 N THR A 151 4.878 -7.166 1.087 1.00 0.00 N ATOM 891 CA THR A 151 3.936 -8.021 0.372 1.00 0.00 C ATOM 892 C THR A 151 3.238 -7.283 -0.771 1.00 0.00 C ATOM 893 O THR A 151 2.969 -6.085 -0.681 1.00 0.00 O ATOM 894 CB THR A 151 2.883 -8.614 1.324 1.00 0.00 C ATOM 895 OG1 THR A 151 1.815 -9.202 0.575 1.00 0.00 O ATOM 896 CG2 THR A 151 2.340 -7.549 2.264 1.00 0.00 C ATOM 0 H THR A 151 4.610 -6.183 1.133 1.00 0.00 H new ATOM 0 HA THR A 151 4.524 -8.832 -0.057 1.00 0.00 H new ATOM 0 HB THR A 151 3.363 -9.387 1.924 1.00 0.00 H new ATOM 0 HG1 THR A 151 0.965 -9.040 1.035 1.00 0.00 H new ATOM 0 HG21 THR A 151 1.597 -7.993 2.927 1.00 0.00 H new ATOM 0 HG22 THR A 151 3.156 -7.137 2.858 1.00 0.00 H new ATOM 0 HG23 THR A 151 1.877 -6.752 1.682 1.00 0.00 H new ATOM 904 N PRO A 152 2.944 -8.006 -1.869 1.00 0.00 N ATOM 905 CA PRO A 152 2.280 -7.445 -3.054 1.00 0.00 C ATOM 906 C PRO A 152 1.056 -6.598 -2.716 1.00 0.00 C ATOM 907 O PRO A 152 0.450 -6.756 -1.657 1.00 0.00 O ATOM 908 CB PRO A 152 1.854 -8.687 -3.838 1.00 0.00 C ATOM 909 CG PRO A 152 2.842 -9.734 -3.458 1.00 0.00 C ATOM 910 CD PRO A 152 3.248 -9.441 -2.038 1.00 0.00 C ATOM 0 HA PRO A 152 2.943 -6.771 -3.597 1.00 0.00 H new ATOM 0 HB2 PRO A 152 0.839 -8.989 -3.580 1.00 0.00 H new ATOM 0 HB3 PRO A 152 1.868 -8.501 -4.912 1.00 0.00 H new ATOM 0 HG2 PRO A 152 2.404 -10.729 -3.539 1.00 0.00 H new ATOM 0 HG3 PRO A 152 3.706 -9.711 -4.122 1.00 0.00 H new ATOM 0 HD2 PRO A 152 2.691 -10.053 -1.329 1.00 0.00 H new ATOM 0 HD3 PRO A 152 4.306 -9.647 -1.875 1.00 0.00 H new ATOM 918 N LYS A 153 0.700 -5.700 -3.633 1.00 0.00 N ATOM 919 CA LYS A 153 -0.451 -4.820 -3.450 1.00 0.00 C ATOM 920 C LYS A 153 -1.725 -5.629 -3.202 1.00 0.00 C ATOM 921 O LYS A 153 -2.043 -6.546 -3.958 1.00 0.00 O ATOM 922 CB LYS A 153 -0.632 -3.935 -4.686 1.00 0.00 C ATOM 923 CG LYS A 153 -1.801 -2.968 -4.586 1.00 0.00 C ATOM 924 CD LYS A 153 -1.986 -2.186 -5.876 1.00 0.00 C ATOM 925 CE LYS A 153 -3.151 -1.214 -5.780 1.00 0.00 C ATOM 926 NZ LYS A 153 -4.437 -1.910 -5.507 1.00 0.00 N ATOM 0 H LYS A 153 1.195 -5.563 -4.514 1.00 0.00 H new ATOM 0 HA LYS A 153 -0.266 -4.193 -2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.283 -3.367 -4.851 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -0.774 -4.572 -5.559 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.713 -3.520 -4.359 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -1.633 -2.276 -3.760 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -1.072 -1.638 -6.104 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -2.156 -2.878 -6.700 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -2.955 -0.491 -4.988 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -3.233 -0.653 -6.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -5.227 -1.249 -5.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -4.540 -2.717 -6.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -4.445 -2.252 -4.525 1.00 0.00 H new ATOM 940 N PRO A 154 -2.474 -5.296 -2.134 1.00 0.00 N ATOM 941 CA PRO A 154 -3.717 -5.994 -1.791 1.00 0.00 C ATOM 942 C PRO A 154 -4.875 -5.614 -2.710 1.00 0.00 C ATOM 943 O PRO A 154 -4.675 -5.326 -3.890 1.00 0.00 O ATOM 944 CB PRO A 154 -3.995 -5.525 -0.364 1.00 0.00 C ATOM 945 CG PRO A 154 -3.380 -4.170 -0.289 1.00 0.00 C ATOM 946 CD PRO A 154 -2.167 -4.212 -1.178 1.00 0.00 C ATOM 0 HA PRO A 154 -3.620 -7.075 -1.894 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -5.065 -5.487 -0.160 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -3.555 -6.201 0.369 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -4.081 -3.405 -0.622 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -3.103 -3.924 0.736 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -2.010 -3.261 -1.687 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -1.261 -4.423 -0.610 1.00 0.00 H new ATOM 954 N HIS A 155 -6.087 -5.609 -2.158 1.00 0.00 N ATOM 955 CA HIS A 155 -7.278 -5.258 -2.921 1.00 0.00 C ATOM 956 C HIS A 155 -8.357 -4.709 -1.996 1.00 0.00 C ATOM 957 O HIS A 155 -8.489 -5.154 -0.856 1.00 0.00 O ATOM 958 CB HIS A 155 -7.807 -6.477 -3.681 1.00 0.00 C ATOM 959 CG HIS A 155 -8.179 -7.625 -2.794 1.00 0.00 C ATOM 960 ND1 HIS A 155 -7.271 -8.281 -1.991 1.00 0.00 N ATOM 961 CD2 HIS A 155 -9.370 -8.234 -2.586 1.00 0.00 C ATOM 962 CE1 HIS A 155 -7.888 -9.243 -1.327 1.00 0.00 C ATOM 963 NE2 HIS A 155 -9.162 -9.235 -1.670 1.00 0.00 N ATOM 0 H HIS A 155 -6.268 -5.845 -1.182 1.00 0.00 H new ATOM 0 HA HIS A 155 -7.009 -4.487 -3.643 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -8.680 -6.181 -4.262 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -7.049 -6.809 -4.391 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -10.310 -7.980 -3.054 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -7.428 -9.921 -0.623 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -9.876 -9.869 -1.313 1.00 0.00 H new ATOM 972 N CYS A 156 -9.127 -3.743 -2.486 1.00 0.00 N ATOM 973 CA CYS A 156 -10.187 -3.149 -1.681 1.00 0.00 C ATOM 974 C CYS A 156 -11.520 -3.826 -1.968 1.00 0.00 C ATOM 975 O CYS A 156 -11.897 -4.017 -3.124 1.00 0.00 O ATOM 976 CB CYS A 156 -10.309 -1.649 -1.954 1.00 0.00 C ATOM 977 SG CYS A 156 -11.507 -0.814 -0.873 1.00 0.00 S ATOM 0 H CYS A 156 -9.038 -3.358 -3.427 1.00 0.00 H new ATOM 0 HA CYS A 156 -9.927 -3.295 -0.633 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -9.331 -1.184 -1.828 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -10.602 -1.499 -2.993 1.00 0.00 H new ATOM 982 N GLN A 157 -12.228 -4.188 -0.904 1.00 0.00 N ATOM 983 CA GLN A 157 -13.520 -4.847 -1.039 1.00 0.00 C ATOM 984 C GLN A 157 -14.634 -3.988 -0.452 1.00 0.00 C ATOM 985 O GLN A 157 -14.477 -3.391 0.613 1.00 0.00 O ATOM 986 CB GLN A 157 -13.491 -6.214 -0.349 1.00 0.00 C ATOM 987 CG GLN A 157 -14.795 -6.988 -0.471 1.00 0.00 C ATOM 988 CD GLN A 157 -15.132 -7.380 -1.900 1.00 0.00 C ATOM 989 OE1 GLN A 157 -14.218 -7.117 -2.831 1.00 0.00 O flip ATOM 990 NE2 GLN A 157 -16.202 -7.926 -2.166 1.00 0.00 N flip ATOM 0 H GLN A 157 -11.929 -4.036 0.059 1.00 0.00 H new ATOM 0 HA GLN A 157 -13.720 -4.988 -2.101 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -12.684 -6.810 -0.776 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -13.260 -6.073 0.707 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -14.733 -7.888 0.140 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -15.607 -6.384 -0.067 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -16.878 -8.111 -1.425 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -16.413 -8.193 -3.127 1.00 0.00 H new ATOM 999 N VAL A 158 -15.762 -3.939 -1.150 1.00 0.00 N ATOM 1000 CA VAL A 158 -16.907 -3.165 -0.701 1.00 0.00 C ATOM 1001 C VAL A 158 -17.708 -3.958 0.321 1.00 0.00 C ATOM 1002 O VAL A 158 -18.010 -5.133 0.106 1.00 0.00 O ATOM 1003 CB VAL A 158 -17.820 -2.774 -1.880 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -18.325 -4.012 -2.606 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -18.982 -1.918 -1.398 1.00 0.00 C ATOM 0 H VAL A 158 -15.906 -4.429 -2.033 1.00 0.00 H new ATOM 0 HA VAL A 158 -16.529 -2.251 -0.242 1.00 0.00 H new ATOM 0 HB VAL A 158 -17.233 -2.185 -2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -18.967 -3.712 -3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -17.477 -4.579 -2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -18.893 -4.634 -1.914 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -19.614 -1.653 -2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -19.568 -2.477 -0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -18.597 -1.010 -0.934 1.00 0.00 H new ATOM 1015 N ASN A 159 -18.041 -3.325 1.435 1.00 0.00 N ATOM 1016 CA ASN A 159 -18.798 -3.999 2.477 1.00 0.00 C ATOM 1017 C ASN A 159 -20.236 -4.249 2.032 1.00 0.00 C ATOM 1018 O ASN A 159 -20.667 -3.622 1.042 1.00 0.00 O ATOM 1019 CB ASN A 159 -18.780 -3.187 3.774 1.00 0.00 C ATOM 1020 CG ASN A 159 -19.354 -1.795 3.599 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -20.494 -1.628 3.166 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -18.565 -0.784 3.945 1.00 0.00 N ATOM 1023 OXT ASN A 159 -20.919 -5.072 2.678 1.00 0.00 O ATOM 0 H ASN A 159 -17.802 -2.355 1.640 1.00 0.00 H new ATOM 0 HA ASN A 159 -18.323 -4.962 2.664 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -19.349 -3.717 4.538 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -17.755 -3.110 4.136 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -18.898 0.176 3.856 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -17.626 -0.968 4.300 1.00 0.00 H new TER 1030 ASN A 159