USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 417 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 17 TYR OH : rot 111:sc= 1.14 USER MOD Set 1.2: A 21 GLN : amide:sc= 1.64 K(o=2.8,f=-1.5!) USER MOD Set 2.1: A 16 ASN : amide:sc= -12.5! C(o=-18!,f=-23!) USER MOD Set 2.2: B 16 ASN : amide:sc= -5.86! C(o=-18!,f=-24!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0529 X(o=-0.053,f=0) USER MOD Single : A 18 GLN : amide:sc= -0.232 X(o=-0.23,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.629 X(o=-0.63,f=-0.14) USER MOD Single : B 3 GLN : amide:sc= -0.249 X(o=-0.25,f=0) USER MOD Single : B 6 LYS NZ :NH3+ -129:sc= -1.61 (180deg=-4.92!) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN : amide:sc= -0.0799 X(o=-0.08,f=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 GLN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD ----------------------------------------------------------------- ATOM 65 N LEU A 5 -16.234 -2.396 -2.455 1.00 0.00 N ATOM 66 CA LEU A 5 -15.026 -1.795 -1.910 1.00 0.00 C ATOM 67 C LEU A 5 -13.938 -2.846 -1.736 1.00 0.00 C ATOM 68 O LEU A 5 -12.758 -2.570 -1.941 1.00 0.00 O ATOM 69 CB LEU A 5 -15.317 -1.157 -0.556 1.00 0.00 C ATOM 70 CG LEU A 5 -15.846 0.274 -0.583 1.00 0.00 C ATOM 71 CD1 LEU A 5 -16.392 0.638 0.784 1.00 0.00 C ATOM 72 CD2 LEU A 5 -14.748 1.233 -1.017 1.00 0.00 C ATOM 0 HA LEU A 5 -14.685 -1.032 -2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.042 -1.780 -0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.400 -1.172 0.033 1.00 0.00 H new ATOM 0 HG LEU A 5 -16.656 0.351 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -16.770 1.660 0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.202 -0.043 1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -15.597 0.559 1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -15.139 2.250 -1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -13.916 1.174 -0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -14.402 0.962 -2.015 1.00 0.00 H new ATOM 84 N GLU A 6 -14.346 -4.056 -1.352 1.00 0.00 N ATOM 85 CA GLU A 6 -13.404 -5.155 -1.153 1.00 0.00 C ATOM 86 C GLU A 6 -12.447 -5.241 -2.325 1.00 0.00 C ATOM 87 O GLU A 6 -11.287 -5.626 -2.180 1.00 0.00 O ATOM 88 CB GLU A 6 -14.151 -6.480 -1.027 1.00 0.00 C ATOM 89 CG GLU A 6 -14.316 -6.957 0.407 1.00 0.00 C ATOM 90 CD GLU A 6 -13.472 -8.179 0.717 1.00 0.00 C ATOM 91 OE1 GLU A 6 -12.259 -8.154 0.420 1.00 0.00 O ATOM 92 OE2 GLU A 6 -14.024 -9.161 1.257 1.00 0.00 O ATOM 0 H GLU A 6 -15.321 -4.298 -1.173 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.847 -4.964 -0.236 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.136 -6.375 -1.481 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.618 -7.243 -1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.044 -6.150 1.088 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.365 -7.189 0.590 1.00 0.00 H new ATOM 99 N LYS A 7 -12.955 -4.876 -3.490 1.00 0.00 N ATOM 100 CA LYS A 7 -12.169 -4.904 -4.704 1.00 0.00 C ATOM 101 C LYS A 7 -11.230 -3.705 -4.738 1.00 0.00 C ATOM 102 O LYS A 7 -10.105 -3.794 -5.228 1.00 0.00 O ATOM 103 CB LYS A 7 -13.078 -4.928 -5.942 1.00 0.00 C ATOM 104 CG LYS A 7 -14.517 -5.365 -5.662 1.00 0.00 C ATOM 105 CD LYS A 7 -14.584 -6.702 -4.929 1.00 0.00 C ATOM 106 CE LYS A 7 -14.773 -7.858 -5.899 1.00 0.00 C ATOM 107 NZ LYS A 7 -16.186 -8.327 -5.935 1.00 0.00 N ATOM 0 H LYS A 7 -13.915 -4.555 -3.617 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.571 -5.815 -4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -13.093 -3.932 -6.386 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.645 -5.600 -6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -15.017 -4.601 -5.066 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -15.061 -5.442 -6.604 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.668 -6.851 -4.357 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.407 -6.686 -4.215 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.468 -7.547 -6.898 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -14.123 -8.684 -5.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.273 -9.115 -6.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -16.470 -8.648 -4.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.803 -7.546 -6.235 1.00 0.00 H new ATOM 121 N GLU A 8 -11.694 -2.591 -4.179 1.00 0.00 N ATOM 122 CA GLU A 8 -10.889 -1.382 -4.106 1.00 0.00 C ATOM 123 C GLU A 8 -9.704 -1.603 -3.169 1.00 0.00 C ATOM 124 O GLU A 8 -8.687 -0.917 -3.266 1.00 0.00 O ATOM 125 CB GLU A 8 -11.733 -0.207 -3.608 1.00 0.00 C ATOM 126 CG GLU A 8 -10.978 1.113 -3.575 1.00 0.00 C ATOM 127 CD GLU A 8 -11.788 2.263 -4.140 1.00 0.00 C ATOM 128 OE1 GLU A 8 -12.173 2.192 -5.325 1.00 0.00 O ATOM 129 OE2 GLU A 8 -12.038 3.235 -3.396 1.00 0.00 O ATOM 0 H GLU A 8 -12.624 -2.503 -3.770 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.519 -1.148 -5.104 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.607 -0.100 -4.250 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.099 -0.432 -2.606 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.698 1.341 -2.547 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.053 1.012 -4.142 1.00 0.00 H new ATOM 136 N VAL A 9 -9.843 -2.577 -2.270 1.00 0.00 N ATOM 137 CA VAL A 9 -8.782 -2.906 -1.327 1.00 0.00 C ATOM 138 C VAL A 9 -7.755 -3.802 -2.002 1.00 0.00 C ATOM 139 O VAL A 9 -6.553 -3.538 -1.951 1.00 0.00 O ATOM 140 CB VAL A 9 -9.334 -3.612 -0.070 1.00 0.00 C ATOM 141 CG1 VAL A 9 -8.208 -3.977 0.888 1.00 0.00 C ATOM 142 CG2 VAL A 9 -10.367 -2.736 0.622 1.00 0.00 C ATOM 0 H VAL A 9 -10.681 -3.150 -2.177 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.315 -1.973 -1.012 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.820 -4.536 -0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.623 -4.473 1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.509 -4.648 0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.685 -3.072 1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -10.746 -3.249 1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.905 -1.794 0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.191 -2.536 -0.062 1.00 0.00 H new ATOM 152 N ALA A 10 -8.241 -4.852 -2.659 1.00 0.00 N ATOM 153 CA ALA A 10 -7.368 -5.774 -3.372 1.00 0.00 C ATOM 154 C ALA A 10 -6.526 -5.013 -4.390 1.00 0.00 C ATOM 155 O ALA A 10 -5.442 -5.452 -4.773 1.00 0.00 O ATOM 156 CB ALA A 10 -8.186 -6.858 -4.058 1.00 0.00 C ATOM 0 H ALA A 10 -9.233 -5.083 -2.711 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.701 -6.253 -2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.518 -7.538 -4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.753 -7.413 -3.311 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.874 -6.400 -4.769 1.00 0.00 H new ATOM 162 N GLN A 11 -7.037 -3.858 -4.814 1.00 0.00 N ATOM 163 CA GLN A 11 -6.345 -3.013 -5.774 1.00 0.00 C ATOM 164 C GLN A 11 -4.950 -2.662 -5.259 1.00 0.00 C ATOM 165 O GLN A 11 -3.948 -3.031 -5.871 1.00 0.00 O ATOM 166 CB GLN A 11 -7.177 -1.753 -6.047 1.00 0.00 C ATOM 167 CG GLN A 11 -6.382 -0.574 -6.594 1.00 0.00 C ATOM 168 CD GLN A 11 -5.891 -0.812 -8.009 1.00 0.00 C ATOM 169 OE1 GLN A 11 -6.602 -0.545 -8.978 1.00 0.00 O ATOM 170 NE2 GLN A 11 -4.668 -1.316 -8.134 1.00 0.00 N ATOM 0 H GLN A 11 -7.935 -3.488 -4.502 1.00 0.00 H new ATOM 0 HA GLN A 11 -6.224 -3.552 -6.714 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.967 -2.002 -6.756 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.664 -1.448 -5.121 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.005 0.320 -6.574 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.528 -0.382 -5.944 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.114 -1.522 -7.303 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.283 -1.497 -9.061 1.00 0.00 H new ATOM 179 N LEU A 12 -4.880 -1.968 -4.120 1.00 0.00 N ATOM 180 CA LEU A 12 -3.586 -1.614 -3.548 1.00 0.00 C ATOM 181 C LEU A 12 -2.905 -2.854 -3.001 1.00 0.00 C ATOM 182 O LEU A 12 -1.762 -3.129 -3.335 1.00 0.00 O ATOM 183 CB LEU A 12 -3.706 -0.570 -2.435 1.00 0.00 C ATOM 184 CG LEU A 12 -4.377 0.738 -2.849 1.00 0.00 C ATOM 185 CD1 LEU A 12 -4.959 1.441 -1.638 1.00 0.00 C ATOM 186 CD2 LEU A 12 -3.376 1.640 -3.555 1.00 0.00 C ATOM 0 H LEU A 12 -5.689 -1.647 -3.587 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.990 -1.178 -4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.269 -1.004 -1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.708 -0.346 -2.058 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.190 0.510 -3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.433 2.371 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.700 0.797 -1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.162 1.661 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.866 2.570 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.548 1.861 -2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.996 1.137 -4.444 1.00 0.00 H new ATOM 198 N GLU A 13 -3.620 -3.602 -2.160 1.00 0.00 N ATOM 199 CA GLU A 13 -3.081 -4.825 -1.559 1.00 0.00 C ATOM 200 C GLU A 13 -2.144 -5.553 -2.524 1.00 0.00 C ATOM 201 O GLU A 13 -1.133 -6.120 -2.111 1.00 0.00 O ATOM 202 CB GLU A 13 -4.217 -5.747 -1.121 1.00 0.00 C ATOM 203 CG GLU A 13 -4.832 -5.351 0.212 1.00 0.00 C ATOM 204 CD GLU A 13 -6.125 -6.089 0.502 1.00 0.00 C ATOM 205 OE1 GLU A 13 -6.764 -6.567 -0.457 1.00 0.00 O ATOM 206 OE2 GLU A 13 -6.496 -6.191 1.690 1.00 0.00 O ATOM 0 H GLU A 13 -4.576 -3.383 -1.878 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.501 -4.540 -0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.993 -5.745 -1.886 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.841 -6.768 -1.051 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.118 -5.550 1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.022 -4.278 0.215 1.00 0.00 H new ATOM 213 N ALA A 14 -2.471 -5.505 -3.814 1.00 0.00 N ATOM 214 CA ALA A 14 -1.638 -6.131 -4.829 1.00 0.00 C ATOM 215 C ALA A 14 -0.279 -5.440 -4.883 1.00 0.00 C ATOM 216 O ALA A 14 0.761 -6.080 -4.722 1.00 0.00 O ATOM 217 CB ALA A 14 -2.321 -6.075 -6.187 1.00 0.00 C ATOM 0 H ALA A 14 -3.304 -5.040 -4.176 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.489 -7.178 -4.567 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.684 -6.548 -6.934 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.274 -6.602 -6.137 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.495 -5.035 -6.464 1.00 0.00 H new ATOM 223 N GLU A 15 -0.298 -4.124 -5.092 1.00 0.00 N ATOM 224 CA GLU A 15 0.903 -3.336 -5.146 1.00 0.00 C ATOM 225 C GLU A 15 1.412 -3.051 -3.735 1.00 0.00 C ATOM 226 O GLU A 15 2.605 -3.165 -3.457 1.00 0.00 O ATOM 227 CB GLU A 15 0.612 -2.036 -5.886 1.00 0.00 C ATOM 228 CG GLU A 15 -0.751 -1.425 -5.594 1.00 0.00 C ATOM 229 CD GLU A 15 -0.851 0.017 -6.053 1.00 0.00 C ATOM 230 OE1 GLU A 15 -0.877 0.249 -7.281 1.00 0.00 O ATOM 231 OE2 GLU A 15 -0.903 0.915 -5.186 1.00 0.00 O ATOM 0 H GLU A 15 -1.154 -3.587 -5.227 1.00 0.00 H new ATOM 0 HA GLU A 15 1.679 -3.886 -5.679 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.383 -1.309 -5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.690 -2.219 -6.958 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.523 -2.015 -6.088 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.947 -1.476 -4.523 1.00 0.00 H new ATOM 238 N ASN A 16 0.488 -2.693 -2.843 1.00 0.00 N ATOM 239 CA ASN A 16 0.814 -2.407 -1.456 1.00 0.00 C ATOM 240 C ASN A 16 1.645 -3.535 -0.846 1.00 0.00 C ATOM 241 O ASN A 16 2.437 -3.312 0.069 1.00 0.00 O ATOM 242 CB ASN A 16 -0.484 -2.210 -0.668 1.00 0.00 C ATOM 243 CG ASN A 16 -0.552 -0.854 -0.022 1.00 0.00 C ATOM 244 OD1 ASN A 16 -0.497 0.169 -0.702 1.00 0.00 O ATOM 245 ND2 ASN A 16 -0.710 -0.842 1.291 1.00 0.00 N ATOM 0 H ASN A 16 -0.503 -2.595 -3.066 1.00 0.00 H new ATOM 0 HA ASN A 16 1.411 -1.496 -1.410 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.336 -2.336 -1.336 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.563 -2.981 0.099 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.793 0.046 1.787 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -0.749 -1.720 1.808 1.00 0.00 H new ATOM 252 N TYR A 17 1.463 -4.745 -1.368 1.00 0.00 N ATOM 253 CA TYR A 17 2.200 -5.907 -0.883 1.00 0.00 C ATOM 254 C TYR A 17 3.582 -5.979 -1.531 1.00 0.00 C ATOM 255 O TYR A 17 4.500 -6.597 -0.991 1.00 0.00 O ATOM 256 CB TYR A 17 1.413 -7.190 -1.170 1.00 0.00 C ATOM 257 CG TYR A 17 2.214 -8.460 -0.975 1.00 0.00 C ATOM 258 CD1 TYR A 17 3.061 -8.927 -1.972 1.00 0.00 C ATOM 259 CD2 TYR A 17 2.125 -9.187 0.204 1.00 0.00 C ATOM 260 CE1 TYR A 17 3.796 -10.084 -1.799 1.00 0.00 C ATOM 261 CE2 TYR A 17 2.857 -10.345 0.386 1.00 0.00 C ATOM 262 CZ TYR A 17 3.690 -10.789 -0.619 1.00 0.00 C ATOM 263 OH TYR A 17 4.421 -11.942 -0.442 1.00 0.00 O ATOM 0 H TYR A 17 0.811 -4.946 -2.127 1.00 0.00 H new ATOM 0 HA TYR A 17 2.331 -5.807 0.194 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.538 -7.221 -0.520 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.047 -7.158 -2.196 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.146 -8.377 -2.897 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.473 -8.842 0.993 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.450 -10.434 -2.584 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.777 -10.899 1.310 1.00 0.00 H new ATOM 0 HH TYR A 17 5.109 -11.792 0.240 1.00 0.00 H new ATOM 273 N GLN A 18 3.723 -5.342 -2.692 1.00 0.00 N ATOM 274 CA GLN A 18 4.992 -5.334 -3.411 1.00 0.00 C ATOM 275 C GLN A 18 5.983 -4.348 -2.788 1.00 0.00 C ATOM 276 O GLN A 18 7.111 -4.210 -3.263 1.00 0.00 O ATOM 277 CB GLN A 18 4.764 -4.980 -4.882 1.00 0.00 C ATOM 278 CG GLN A 18 5.687 -5.719 -5.837 1.00 0.00 C ATOM 279 CD GLN A 18 5.039 -6.949 -6.441 1.00 0.00 C ATOM 280 OE1 GLN A 18 4.904 -7.059 -7.660 1.00 0.00 O ATOM 281 NE2 GLN A 18 4.633 -7.883 -5.589 1.00 0.00 N ATOM 0 H GLN A 18 2.974 -4.826 -3.153 1.00 0.00 H new ATOM 0 HA GLN A 18 5.419 -6.334 -3.340 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.730 -5.203 -5.144 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.902 -3.907 -5.014 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.992 -5.044 -6.637 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.592 -6.014 -5.306 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.765 -7.751 -4.586 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.189 -8.733 -5.937 1.00 0.00 H new ATOM 290 N LEU A 19 5.563 -3.671 -1.722 1.00 0.00 N ATOM 291 CA LEU A 19 6.417 -2.714 -1.038 1.00 0.00 C ATOM 292 C LEU A 19 6.523 -3.073 0.440 1.00 0.00 C ATOM 293 O LEU A 19 7.608 -3.322 0.951 1.00 0.00 O ATOM 294 CB LEU A 19 5.866 -1.294 -1.200 1.00 0.00 C ATOM 295 CG LEU A 19 6.003 -0.705 -2.606 1.00 0.00 C ATOM 296 CD1 LEU A 19 5.572 0.754 -2.618 1.00 0.00 C ATOM 297 CD2 LEU A 19 7.434 -0.842 -3.106 1.00 0.00 C ATOM 0 H LEU A 19 4.633 -3.771 -1.315 1.00 0.00 H new ATOM 0 HA LEU A 19 7.411 -2.752 -1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.812 -1.296 -0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.379 -0.639 -0.496 1.00 0.00 H new ATOM 0 HG LEU A 19 5.349 -1.263 -3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.676 1.156 -3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.531 0.828 -2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.200 1.324 -1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.512 -0.418 -4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.107 -0.310 -2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.709 -1.896 -3.136 1.00 0.00 H new ATOM 309 N GLU A 20 5.384 -3.112 1.120 1.00 0.00 N ATOM 310 CA GLU A 20 5.355 -3.453 2.538 1.00 0.00 C ATOM 311 C GLU A 20 6.061 -4.782 2.798 1.00 0.00 C ATOM 312 O GLU A 20 6.603 -5.005 3.881 1.00 0.00 O ATOM 313 CB GLU A 20 3.910 -3.525 3.031 1.00 0.00 C ATOM 314 CG GLU A 20 3.732 -3.056 4.466 1.00 0.00 C ATOM 315 CD GLU A 20 2.928 -4.032 5.304 1.00 0.00 C ATOM 316 OE1 GLU A 20 3.486 -5.079 5.695 1.00 0.00 O ATOM 317 OE2 GLU A 20 1.740 -3.749 5.568 1.00 0.00 O ATOM 0 H GLU A 20 4.470 -2.912 0.714 1.00 0.00 H new ATOM 0 HA GLU A 20 5.884 -2.673 3.085 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.282 -2.918 2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.557 -4.553 2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.712 -2.913 4.922 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.235 -2.086 4.468 1.00 0.00 H new ATOM 324 N GLN A 21 6.053 -5.659 1.799 1.00 0.00 N ATOM 325 CA GLN A 21 6.697 -6.961 1.924 1.00 0.00 C ATOM 326 C GLN A 21 8.052 -6.964 1.227 1.00 0.00 C ATOM 327 O GLN A 21 8.983 -7.643 1.660 1.00 0.00 O ATOM 328 CB GLN A 21 5.803 -8.056 1.338 1.00 0.00 C ATOM 329 CG GLN A 21 5.699 -9.292 2.217 1.00 0.00 C ATOM 330 CD GLN A 21 6.603 -10.417 1.750 1.00 0.00 C ATOM 331 OE1 GLN A 21 6.131 -11.462 1.302 1.00 0.00 O ATOM 332 NE2 GLN A 21 7.910 -10.208 1.856 1.00 0.00 N ATOM 0 H GLN A 21 5.609 -5.492 0.896 1.00 0.00 H new ATOM 0 HA GLN A 21 6.853 -7.162 2.984 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.804 -7.650 1.176 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.191 -8.346 0.362 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.955 -9.027 3.243 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.666 -9.641 2.227 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.256 -9.326 2.233 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.567 -10.929 1.560 1.00 0.00 H new ATOM 341 N GLU A 22 8.159 -6.195 0.147 1.00 0.00 N ATOM 342 CA GLU A 22 9.405 -6.106 -0.605 1.00 0.00 C ATOM 343 C GLU A 22 10.405 -5.209 0.116 1.00 0.00 C ATOM 344 O GLU A 22 11.616 -5.379 -0.017 1.00 0.00 O ATOM 345 CB GLU A 22 9.138 -5.571 -2.013 1.00 0.00 C ATOM 346 CG GLU A 22 10.143 -6.052 -3.048 1.00 0.00 C ATOM 347 CD GLU A 22 9.578 -7.135 -3.948 1.00 0.00 C ATOM 348 OE1 GLU A 22 9.048 -8.132 -3.416 1.00 0.00 O ATOM 349 OE2 GLU A 22 9.666 -6.983 -5.185 1.00 0.00 O ATOM 0 H GLU A 22 7.399 -5.626 -0.226 1.00 0.00 H new ATOM 0 HA GLU A 22 9.831 -7.106 -0.683 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.137 -5.872 -2.323 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.149 -4.481 -1.987 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.463 -5.208 -3.658 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.029 -6.432 -2.540 1.00 0.00 H new ATOM 356 N VAL A 23 9.888 -4.260 0.890 1.00 0.00 N ATOM 357 CA VAL A 23 10.731 -3.343 1.644 1.00 0.00 C ATOM 358 C VAL A 23 11.569 -4.113 2.659 1.00 0.00 C ATOM 359 O VAL A 23 12.764 -3.862 2.816 1.00 0.00 O ATOM 360 CB VAL A 23 9.883 -2.280 2.380 1.00 0.00 C ATOM 361 CG1 VAL A 23 10.725 -1.514 3.393 1.00 0.00 C ATOM 362 CG2 VAL A 23 9.235 -1.328 1.382 1.00 0.00 C ATOM 0 H VAL A 23 8.887 -4.107 1.011 1.00 0.00 H new ATOM 0 HA VAL A 23 11.387 -2.836 0.936 1.00 0.00 H new ATOM 0 HB VAL A 23 9.092 -2.795 2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 23 10.104 -0.773 3.896 1.00 0.00 H new ATOM 0 HG12 VAL A 23 11.130 -2.209 4.129 1.00 0.00 H new ATOM 0 HG13 VAL A 23 11.545 -1.012 2.879 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.642 -0.587 1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 23 10.010 -0.824 0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.589 -1.891 0.709 1.00 0.00 H new ATOM 372 N ALA A 24 10.926 -5.052 3.345 1.00 0.00 N ATOM 373 CA ALA A 24 11.598 -5.869 4.347 1.00 0.00 C ATOM 374 C ALA A 24 12.820 -6.572 3.765 1.00 0.00 C ATOM 375 O ALA A 24 13.746 -6.929 4.493 1.00 0.00 O ATOM 376 CB ALA A 24 10.627 -6.889 4.925 1.00 0.00 C ATOM 0 H ALA A 24 9.936 -5.266 3.224 1.00 0.00 H new ATOM 0 HA ALA A 24 11.942 -5.210 5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.138 -7.495 5.673 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.788 -6.370 5.390 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.258 -7.533 4.127 1.00 0.00 H new ATOM 382 N GLN A 25 12.818 -6.770 2.450 1.00 0.00 N ATOM 383 CA GLN A 25 13.928 -7.434 1.778 1.00 0.00 C ATOM 384 C GLN A 25 14.805 -6.429 1.037 1.00 0.00 C ATOM 385 O GLN A 25 16.015 -6.620 0.915 1.00 0.00 O ATOM 386 CB GLN A 25 13.406 -8.491 0.803 1.00 0.00 C ATOM 387 CG GLN A 25 12.601 -7.911 -0.350 1.00 0.00 C ATOM 388 CD GLN A 25 12.410 -8.900 -1.483 1.00 0.00 C ATOM 389 OE1 GLN A 25 12.172 -10.086 -1.254 1.00 0.00 O ATOM 390 NE2 GLN A 25 12.514 -8.416 -2.715 1.00 0.00 N ATOM 0 H GLN A 25 12.061 -6.480 1.830 1.00 0.00 H new ATOM 0 HA GLN A 25 14.536 -7.921 2.540 1.00 0.00 H new ATOM 0 HB2 GLN A 25 14.250 -9.050 0.400 1.00 0.00 H new ATOM 0 HB3 GLN A 25 12.784 -9.201 1.348 1.00 0.00 H new ATOM 0 HG2 GLN A 25 11.626 -7.592 0.017 1.00 0.00 H new ATOM 0 HG3 GLN A 25 13.105 -7.022 -0.729 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.712 -7.426 -2.859 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.395 -9.034 -3.518 1.00 0.00 H new ATOM 399 N LEU A 26 14.188 -5.362 0.541 1.00 0.00 N ATOM 400 CA LEU A 26 14.912 -4.328 -0.192 1.00 0.00 C ATOM 401 C LEU A 26 16.072 -3.769 0.629 1.00 0.00 C ATOM 402 O LEU A 26 17.215 -3.742 0.175 1.00 0.00 O ATOM 403 CB LEU A 26 13.965 -3.190 -0.575 1.00 0.00 C ATOM 404 CG LEU A 26 13.159 -3.418 -1.854 1.00 0.00 C ATOM 405 CD1 LEU A 26 11.830 -2.683 -1.784 1.00 0.00 C ATOM 406 CD2 LEU A 26 13.956 -2.970 -3.070 1.00 0.00 C ATOM 0 H LEU A 26 13.187 -5.190 0.633 1.00 0.00 H new ATOM 0 HA LEU A 26 15.318 -4.787 -1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.271 -3.024 0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.548 -2.276 -0.690 1.00 0.00 H new ATOM 0 HG LEU A 26 12.955 -4.485 -1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.269 -2.856 -2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.256 -3.050 -0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.011 -1.615 -1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.369 -3.139 -3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.189 -1.909 -2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.883 -3.541 -3.128 1.00 0.00 H new ATOM 418 N GLU A 27 15.758 -3.304 1.831 1.00 0.00 N ATOM 419 CA GLU A 27 16.755 -2.717 2.721 1.00 0.00 C ATOM 420 C GLU A 27 17.948 -3.645 2.963 1.00 0.00 C ATOM 421 O GLU A 27 19.092 -3.190 2.992 1.00 0.00 O ATOM 422 CB GLU A 27 16.114 -2.339 4.059 1.00 0.00 C ATOM 423 CG GLU A 27 15.200 -3.414 4.630 1.00 0.00 C ATOM 424 CD GLU A 27 15.827 -4.150 5.797 1.00 0.00 C ATOM 425 OE1 GLU A 27 17.047 -4.413 5.748 1.00 0.00 O ATOM 426 OE2 GLU A 27 15.098 -4.465 6.761 1.00 0.00 O ATOM 0 H GLU A 27 14.813 -3.322 2.216 1.00 0.00 H new ATOM 0 HA GLU A 27 17.133 -1.823 2.225 1.00 0.00 H new ATOM 0 HB2 GLU A 27 16.902 -2.125 4.781 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.542 -1.420 3.930 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.265 -2.957 4.953 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.951 -4.129 3.846 1.00 0.00 H new ATOM 513 N GLN B 3 -17.632 3.889 3.583 1.00 0.00 N ATOM 514 CA GLN B 3 -16.352 3.821 4.303 1.00 0.00 C ATOM 515 C GLN B 3 -16.185 2.497 5.039 1.00 0.00 C ATOM 516 O GLN B 3 -15.240 2.302 5.801 1.00 0.00 O ATOM 517 CB GLN B 3 -16.262 4.984 5.295 1.00 0.00 C ATOM 518 CG GLN B 3 -15.383 6.127 4.815 1.00 0.00 C ATOM 519 CD GLN B 3 -15.437 7.331 5.735 1.00 0.00 C ATOM 520 OE1 GLN B 3 -15.565 8.469 5.282 1.00 0.00 O ATOM 521 NE2 GLN B 3 -15.340 7.086 7.036 1.00 0.00 N ATOM 0 HA GLN B 3 -15.549 3.893 3.570 1.00 0.00 H new ATOM 0 HB2 GLN B 3 -17.265 5.364 5.488 1.00 0.00 H new ATOM 0 HB3 GLN B 3 -15.874 4.612 6.243 1.00 0.00 H new ATOM 0 HG2 GLN B 3 -14.353 5.780 4.737 1.00 0.00 H new ATOM 0 HG3 GLN B 3 -15.695 6.425 3.814 1.00 0.00 H new ATOM 0 HE21 GLN B 3 -15.235 6.127 7.368 1.00 0.00 H new ATOM 0 HE22 GLN B 3 -15.370 7.856 7.704 1.00 0.00 H new ATOM 530 N ALA B 4 -17.092 1.584 4.758 1.00 0.00 N ATOM 531 CA ALA B 4 -17.064 0.252 5.322 1.00 0.00 C ATOM 532 C ALA B 4 -15.709 -0.346 5.045 1.00 0.00 C ATOM 533 O ALA B 4 -15.021 -0.860 5.926 1.00 0.00 O ATOM 534 CB ALA B 4 -18.160 -0.583 4.673 1.00 0.00 C ATOM 0 H ALA B 4 -17.876 1.748 4.126 1.00 0.00 H new ATOM 0 HA ALA B 4 -17.237 0.278 6.398 1.00 0.00 H new ATOM 0 HB1 ALA B 4 -18.147 -1.589 5.092 1.00 0.00 H new ATOM 0 HB2 ALA B 4 -19.129 -0.123 4.864 1.00 0.00 H new ATOM 0 HB3 ALA B 4 -17.989 -0.635 3.598 1.00 0.00 H new ATOM 540 N LEU B 5 -15.337 -0.207 3.795 1.00 0.00 N ATOM 541 CA LEU B 5 -14.054 -0.651 3.299 1.00 0.00 C ATOM 542 C LEU B 5 -13.377 0.507 2.585 1.00 0.00 C ATOM 543 O LEU B 5 -12.233 0.402 2.144 1.00 0.00 O ATOM 544 CB LEU B 5 -14.222 -1.824 2.346 1.00 0.00 C ATOM 545 CG LEU B 5 -14.167 -3.209 2.992 1.00 0.00 C ATOM 546 CD1 LEU B 5 -15.028 -4.195 2.217 1.00 0.00 C ATOM 547 CD2 LEU B 5 -12.731 -3.703 3.072 1.00 0.00 C ATOM 0 H LEU B 5 -15.925 0.224 3.082 1.00 0.00 H new ATOM 0 HA LEU B 5 -13.440 -0.982 4.136 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -15.178 -1.719 1.833 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -13.444 -1.766 1.585 1.00 0.00 H new ATOM 0 HG LEU B 5 -14.561 -3.131 4.005 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -14.976 -5.175 2.692 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -16.062 -3.849 2.211 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -14.664 -4.269 1.192 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -12.711 -4.690 3.534 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -12.311 -3.764 2.068 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -12.141 -3.010 3.671 1.00 0.00 H new ATOM 559 N LYS B 6 -14.104 1.618 2.469 1.00 0.00 N ATOM 560 CA LYS B 6 -13.605 2.797 1.815 1.00 0.00 C ATOM 561 C LYS B 6 -12.784 3.630 2.790 1.00 0.00 C ATOM 562 O LYS B 6 -11.982 4.471 2.382 1.00 0.00 O ATOM 563 CB LYS B 6 -14.822 3.518 1.273 1.00 0.00 C ATOM 564 CG LYS B 6 -14.751 5.015 1.129 1.00 0.00 C ATOM 565 CD LYS B 6 -15.852 5.460 0.179 1.00 0.00 C ATOM 566 CE LYS B 6 -17.134 5.839 0.920 1.00 0.00 C ATOM 567 NZ LYS B 6 -16.923 6.974 1.862 1.00 0.00 N ATOM 0 H LYS B 6 -15.053 1.712 2.830 1.00 0.00 H new ATOM 0 HA LYS B 6 -12.924 2.571 0.994 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -15.049 3.099 0.293 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -15.665 3.285 1.923 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -14.871 5.495 2.100 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -13.775 5.313 0.745 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -15.505 6.314 -0.403 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -16.066 4.658 -0.528 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -17.904 6.107 0.197 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -17.502 4.974 1.472 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -17.293 6.720 2.800 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -15.906 7.180 1.935 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -17.422 7.815 1.509 1.00 0.00 H new ATOM 581 N LYS B 7 -12.953 3.359 4.088 1.00 0.00 N ATOM 582 CA LYS B 7 -12.181 4.060 5.107 1.00 0.00 C ATOM 583 C LYS B 7 -10.884 3.299 5.396 1.00 0.00 C ATOM 584 O LYS B 7 -9.950 3.843 5.987 1.00 0.00 O ATOM 585 CB LYS B 7 -12.996 4.216 6.396 1.00 0.00 C ATOM 586 CG LYS B 7 -13.049 2.959 7.253 1.00 0.00 C ATOM 587 CD LYS B 7 -14.198 3.010 8.245 1.00 0.00 C ATOM 588 CE LYS B 7 -13.865 3.897 9.433 1.00 0.00 C ATOM 589 NZ LYS B 7 -14.962 3.917 10.438 1.00 0.00 N ATOM 0 H LYS B 7 -13.610 2.668 4.450 1.00 0.00 H new ATOM 0 HA LYS B 7 -11.938 5.054 4.732 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -12.571 5.028 6.986 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -14.013 4.509 6.137 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -13.159 2.084 6.612 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -12.108 2.844 7.790 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -15.093 3.385 7.749 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -14.425 2.002 8.593 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -12.948 3.543 9.904 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -13.673 4.912 9.085 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -14.694 4.533 11.232 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -15.831 4.279 9.996 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -15.128 2.952 10.790 1.00 0.00 H new ATOM 603 N ARG B 8 -10.848 2.028 4.990 1.00 0.00 N ATOM 604 CA ARG B 8 -9.686 1.174 5.216 1.00 0.00 C ATOM 605 C ARG B 8 -8.679 1.242 4.062 1.00 0.00 C ATOM 606 O ARG B 8 -7.473 1.132 4.284 1.00 0.00 O ATOM 607 CB ARG B 8 -10.144 -0.273 5.435 1.00 0.00 C ATOM 608 CG ARG B 8 -10.500 -1.012 4.152 1.00 0.00 C ATOM 609 CD ARG B 8 -9.411 -1.999 3.756 1.00 0.00 C ATOM 610 NE ARG B 8 -9.774 -3.380 4.072 1.00 0.00 N ATOM 611 CZ ARG B 8 -9.428 -4.008 5.195 1.00 0.00 C ATOM 612 NH1 ARG B 8 -8.697 -3.392 6.117 1.00 0.00 N ATOM 613 NH2 ARG B 8 -9.812 -5.260 5.396 1.00 0.00 N ATOM 0 H ARG B 8 -11.616 1.568 4.501 1.00 0.00 H new ATOM 0 HA ARG B 8 -9.176 1.540 6.107 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -9.353 -0.819 5.949 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -11.012 -0.272 6.094 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -11.442 -1.543 4.286 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -10.651 -0.293 3.347 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -9.216 -1.912 2.687 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -8.485 -1.742 4.271 1.00 0.00 H new ATOM 0 HE ARG B 8 -10.328 -3.896 3.388 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -8.395 -2.429 5.969 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -8.438 -3.882 6.973 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -10.371 -5.741 4.692 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -9.548 -5.743 6.255 1.00 0.00 H new ATOM 627 N VAL B 9 -9.170 1.412 2.833 1.00 0.00 N ATOM 628 CA VAL B 9 -8.293 1.480 1.658 1.00 0.00 C ATOM 629 C VAL B 9 -7.110 2.407 1.908 1.00 0.00 C ATOM 630 O VAL B 9 -5.966 2.057 1.620 1.00 0.00 O ATOM 631 CB VAL B 9 -9.051 1.957 0.401 1.00 0.00 C ATOM 632 CG1 VAL B 9 -8.098 2.116 -0.778 1.00 0.00 C ATOM 633 CG2 VAL B 9 -10.177 0.993 0.057 1.00 0.00 C ATOM 0 H VAL B 9 -10.164 1.505 2.624 1.00 0.00 H new ATOM 0 HA VAL B 9 -7.930 0.467 1.483 1.00 0.00 H new ATOM 0 HB VAL B 9 -9.489 2.932 0.616 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -8.654 2.453 -1.653 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -7.332 2.851 -0.530 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -7.625 1.158 -0.995 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -10.700 1.346 -0.832 1.00 0.00 H new ATOM 0 HG22 VAL B 9 -9.763 0.003 -0.135 1.00 0.00 H new ATOM 0 HG23 VAL B 9 -10.876 0.938 0.891 1.00 0.00 H new ATOM 643 N GLN B 10 -7.385 3.588 2.454 1.00 0.00 N ATOM 644 CA GLN B 10 -6.328 4.547 2.746 1.00 0.00 C ATOM 645 C GLN B 10 -5.210 3.870 3.532 1.00 0.00 C ATOM 646 O GLN B 10 -4.039 4.217 3.396 1.00 0.00 O ATOM 647 CB GLN B 10 -6.884 5.734 3.535 1.00 0.00 C ATOM 648 CG GLN B 10 -7.686 5.328 4.763 1.00 0.00 C ATOM 649 CD GLN B 10 -7.272 6.087 6.008 1.00 0.00 C ATOM 650 OE1 GLN B 10 -6.512 5.580 6.835 1.00 0.00 O ATOM 651 NE2 GLN B 10 -7.769 7.310 6.148 1.00 0.00 N ATOM 0 H GLN B 10 -8.324 3.901 2.701 1.00 0.00 H new ATOM 0 HA GLN B 10 -5.924 4.917 1.804 1.00 0.00 H new ATOM 0 HB2 GLN B 10 -6.057 6.372 3.846 1.00 0.00 H new ATOM 0 HB3 GLN B 10 -7.517 6.331 2.879 1.00 0.00 H new ATOM 0 HG2 GLN B 10 -8.746 5.500 4.573 1.00 0.00 H new ATOM 0 HG3 GLN B 10 -7.562 4.259 4.936 1.00 0.00 H new ATOM 0 HE21 GLN B 10 -8.395 7.690 5.438 1.00 0.00 H new ATOM 0 HE22 GLN B 10 -7.525 7.869 6.965 1.00 0.00 H new ATOM 660 N ALA B 11 -5.586 2.891 4.345 1.00 0.00 N ATOM 661 CA ALA B 11 -4.622 2.153 5.147 1.00 0.00 C ATOM 662 C ALA B 11 -3.592 1.450 4.268 1.00 0.00 C ATOM 663 O ALA B 11 -2.512 1.090 4.736 1.00 0.00 O ATOM 664 CB ALA B 11 -5.339 1.144 6.032 1.00 0.00 C ATOM 0 H ALA B 11 -6.553 2.590 4.466 1.00 0.00 H new ATOM 0 HA ALA B 11 -4.092 2.866 5.778 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -4.607 0.598 6.627 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -6.029 1.667 6.695 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -5.895 0.444 5.409 1.00 0.00 H new ATOM 670 N LEU B 12 -3.925 1.253 2.991 1.00 0.00 N ATOM 671 CA LEU B 12 -3.008 0.590 2.071 1.00 0.00 C ATOM 672 C LEU B 12 -2.202 1.626 1.283 1.00 0.00 C ATOM 673 O LEU B 12 -0.975 1.574 1.245 1.00 0.00 O ATOM 674 CB LEU B 12 -3.761 -0.335 1.093 1.00 0.00 C ATOM 675 CG LEU B 12 -5.073 -0.929 1.627 1.00 0.00 C ATOM 676 CD1 LEU B 12 -6.060 -1.173 0.496 1.00 0.00 C ATOM 677 CD2 LEU B 12 -4.803 -2.223 2.379 1.00 0.00 C ATOM 0 H LEU B 12 -4.812 1.540 2.577 1.00 0.00 H new ATOM 0 HA LEU B 12 -2.329 -0.021 2.666 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -3.979 0.226 0.184 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -3.099 -1.154 0.811 1.00 0.00 H new ATOM 0 HG LEU B 12 -5.514 -0.208 2.316 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -6.980 -1.594 0.901 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -6.281 -0.230 -0.004 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -5.627 -1.871 -0.221 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -5.743 -2.631 2.751 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -4.335 -2.943 1.708 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -4.137 -2.024 3.218 1.00 0.00 H new ATOM 689 N LYS B 13 -2.900 2.554 0.643 1.00 0.00 N ATOM 690 CA LYS B 13 -2.245 3.582 -0.165 1.00 0.00 C ATOM 691 C LYS B 13 -1.630 4.693 0.686 1.00 0.00 C ATOM 692 O LYS B 13 -0.506 5.120 0.432 1.00 0.00 O ATOM 693 CB LYS B 13 -3.232 4.178 -1.169 1.00 0.00 C ATOM 694 CG LYS B 13 -4.524 4.680 -0.543 1.00 0.00 C ATOM 695 CD LYS B 13 -4.414 6.144 -0.153 1.00 0.00 C ATOM 696 CE LYS B 13 -5.601 6.950 -0.657 1.00 0.00 C ATOM 697 NZ LYS B 13 -5.260 7.741 -1.872 1.00 0.00 N ATOM 0 H LYS B 13 -3.918 2.619 0.665 1.00 0.00 H new ATOM 0 HA LYS B 13 -1.430 3.094 -0.699 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -2.749 5.004 -1.692 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -3.472 3.424 -1.918 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -5.346 4.549 -1.246 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -4.760 4.083 0.338 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -4.351 6.228 0.932 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -3.492 6.561 -0.559 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -6.428 6.276 -0.883 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -5.943 7.622 0.130 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -6.096 8.276 -2.184 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -4.488 8.402 -1.651 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -4.958 7.098 -2.631 1.00 0.00 H new ATOM 711 N ALA B 14 -2.367 5.173 1.682 1.00 0.00 N ATOM 712 CA ALA B 14 -1.869 6.247 2.541 1.00 0.00 C ATOM 713 C ALA B 14 -0.512 5.898 3.146 1.00 0.00 C ATOM 714 O ALA B 14 0.356 6.762 3.284 1.00 0.00 O ATOM 715 CB ALA B 14 -2.872 6.561 3.641 1.00 0.00 C ATOM 0 H ALA B 14 -3.303 4.841 1.915 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.740 7.132 1.918 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -2.484 7.362 4.270 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -3.815 6.875 3.194 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -3.037 5.671 4.248 1.00 0.00 H new ATOM 721 N ARG B 15 -0.333 4.633 3.513 1.00 0.00 N ATOM 722 CA ARG B 15 0.922 4.181 4.109 1.00 0.00 C ATOM 723 C ARG B 15 1.906 3.702 3.047 1.00 0.00 C ATOM 724 O ARG B 15 3.117 3.865 3.195 1.00 0.00 O ATOM 725 CB ARG B 15 0.661 3.059 5.115 1.00 0.00 C ATOM 726 CG ARG B 15 1.918 2.551 5.802 1.00 0.00 C ATOM 727 CD ARG B 15 2.524 3.608 6.711 1.00 0.00 C ATOM 728 NE ARG B 15 1.801 3.723 7.975 1.00 0.00 N ATOM 729 CZ ARG B 15 1.796 2.779 8.914 1.00 0.00 C ATOM 730 NH1 ARG B 15 2.472 1.652 8.735 1.00 0.00 N ATOM 731 NH2 ARG B 15 1.113 2.965 10.036 1.00 0.00 N ATOM 0 H ARG B 15 -1.038 3.903 3.409 1.00 0.00 H new ATOM 0 HA ARG B 15 1.366 5.033 4.624 1.00 0.00 H new ATOM 0 HB2 ARG B 15 -0.037 3.417 5.872 1.00 0.00 H new ATOM 0 HB3 ARG B 15 0.177 2.228 4.602 1.00 0.00 H new ATOM 0 HG2 ARG B 15 1.680 1.661 6.385 1.00 0.00 H new ATOM 0 HG3 ARG B 15 2.649 2.254 5.050 1.00 0.00 H new ATOM 0 HD2 ARG B 15 3.566 3.360 6.911 1.00 0.00 H new ATOM 0 HD3 ARG B 15 2.518 4.571 6.201 1.00 0.00 H new ATOM 0 HE ARG B 15 1.269 4.576 8.148 1.00 0.00 H new ATOM 0 HH11 ARG B 15 2.999 1.505 7.874 1.00 0.00 H new ATOM 0 HH12 ARG B 15 2.464 0.932 9.458 1.00 0.00 H new ATOM 0 HH21 ARG B 15 0.592 3.830 10.179 1.00 0.00 H new ATOM 0 HH22 ARG B 15 1.108 2.243 10.756 1.00 0.00 H new ATOM 745 N ASN B 16 1.385 3.099 1.982 1.00 0.00 N ATOM 746 CA ASN B 16 2.231 2.590 0.910 1.00 0.00 C ATOM 747 C ASN B 16 2.780 3.722 0.052 1.00 0.00 C ATOM 748 O ASN B 16 3.916 3.660 -0.419 1.00 0.00 O ATOM 749 CB ASN B 16 1.448 1.611 0.044 1.00 0.00 C ATOM 750 CG ASN B 16 2.273 1.044 -1.095 1.00 0.00 C ATOM 751 OD1 ASN B 16 3.446 0.715 -0.923 1.00 0.00 O ATOM 752 ND2 ASN B 16 1.658 0.927 -2.267 1.00 0.00 N ATOM 0 H ASN B 16 0.386 2.952 1.840 1.00 0.00 H new ATOM 0 HA ASN B 16 3.075 2.072 1.366 1.00 0.00 H new ATOM 0 HB2 ASN B 16 1.085 0.793 0.666 1.00 0.00 H new ATOM 0 HB3 ASN B 16 0.571 2.114 -0.364 1.00 0.00 H new ATOM 0 HD21 ASN B 16 2.160 0.551 -3.071 1.00 0.00 H new ATOM 0 HD22 ASN B 16 0.684 1.213 -2.362 1.00 0.00 H new ATOM 759 N TYR B 17 1.970 4.756 -0.151 1.00 0.00 N ATOM 760 CA TYR B 17 2.382 5.899 -0.956 1.00 0.00 C ATOM 761 C TYR B 17 3.768 6.385 -0.530 1.00 0.00 C ATOM 762 O TYR B 17 4.640 6.630 -1.365 1.00 0.00 O ATOM 763 CB TYR B 17 1.366 7.042 -0.830 1.00 0.00 C ATOM 764 CG TYR B 17 1.930 8.398 -1.202 1.00 0.00 C ATOM 765 CD1 TYR B 17 1.991 8.808 -2.527 1.00 0.00 C ATOM 766 CD2 TYR B 17 2.414 9.260 -0.225 1.00 0.00 C ATOM 767 CE1 TYR B 17 2.518 10.039 -2.869 1.00 0.00 C ATOM 768 CE2 TYR B 17 2.939 10.493 -0.559 1.00 0.00 C ATOM 769 CZ TYR B 17 2.990 10.878 -1.881 1.00 0.00 C ATOM 770 OH TYR B 17 3.515 12.104 -2.218 1.00 0.00 O ATOM 0 H TYR B 17 1.026 4.825 0.230 1.00 0.00 H new ATOM 0 HA TYR B 17 2.426 5.581 -1.998 1.00 0.00 H new ATOM 0 HB2 TYR B 17 0.509 6.827 -1.468 1.00 0.00 H new ATOM 0 HB3 TYR B 17 0.999 7.079 0.196 1.00 0.00 H new ATOM 0 HD1 TYR B 17 1.621 8.154 -3.303 1.00 0.00 H new ATOM 0 HD2 TYR B 17 2.379 8.961 0.812 1.00 0.00 H new ATOM 0 HE1 TYR B 17 2.560 10.343 -3.905 1.00 0.00 H new ATOM 0 HE2 TYR B 17 3.308 11.152 0.213 1.00 0.00 H new ATOM 0 HH TYR B 17 3.801 12.572 -1.406 1.00 0.00 H new ATOM 780 N ALA B 18 3.954 6.528 0.779 1.00 0.00 N ATOM 781 CA ALA B 18 5.220 6.990 1.331 1.00 0.00 C ATOM 782 C ALA B 18 6.350 6.013 1.029 1.00 0.00 C ATOM 783 O ALA B 18 7.458 6.423 0.680 1.00 0.00 O ATOM 784 CB ALA B 18 5.091 7.198 2.833 1.00 0.00 C ATOM 0 H ALA B 18 3.239 6.329 1.479 1.00 0.00 H new ATOM 0 HA ALA B 18 5.466 7.940 0.857 1.00 0.00 H new ATOM 0 HB1 ALA B 18 6.043 7.543 3.236 1.00 0.00 H new ATOM 0 HB2 ALA B 18 4.321 7.943 3.032 1.00 0.00 H new ATOM 0 HB3 ALA B 18 4.816 6.256 3.308 1.00 0.00 H new ATOM 790 N LEU B 19 6.070 4.721 1.165 1.00 0.00 N ATOM 791 CA LEU B 19 7.080 3.699 0.904 1.00 0.00 C ATOM 792 C LEU B 19 7.549 3.779 -0.542 1.00 0.00 C ATOM 793 O LEU B 19 8.748 3.775 -0.820 1.00 0.00 O ATOM 794 CB LEU B 19 6.547 2.297 1.194 1.00 0.00 C ATOM 795 CG LEU B 19 5.479 2.214 2.285 1.00 0.00 C ATOM 796 CD1 LEU B 19 5.109 0.768 2.548 1.00 0.00 C ATOM 797 CD2 LEU B 19 5.960 2.883 3.563 1.00 0.00 C ATOM 0 H LEU B 19 5.161 4.358 1.452 1.00 0.00 H new ATOM 0 HA LEU B 19 7.921 3.889 1.571 1.00 0.00 H new ATOM 0 HB2 LEU B 19 6.134 1.886 0.273 1.00 0.00 H new ATOM 0 HB3 LEU B 19 7.384 1.660 1.480 1.00 0.00 H new ATOM 0 HG LEU B 19 4.591 2.744 1.939 1.00 0.00 H new ATOM 0 HD11 LEU B 19 4.348 0.723 3.327 1.00 0.00 H new ATOM 0 HD12 LEU B 19 4.720 0.320 1.634 1.00 0.00 H new ATOM 0 HD13 LEU B 19 5.993 0.219 2.873 1.00 0.00 H new ATOM 0 HD21 LEU B 19 5.184 2.812 4.325 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.863 2.385 3.917 1.00 0.00 H new ATOM 0 HD23 LEU B 19 6.178 3.932 3.364 1.00 0.00 H new ATOM 809 N LYS B 20 6.588 3.859 -1.459 1.00 0.00 N ATOM 810 CA LYS B 20 6.884 3.950 -2.887 1.00 0.00 C ATOM 811 C LYS B 20 7.995 4.966 -3.156 1.00 0.00 C ATOM 812 O LYS B 20 8.737 4.849 -4.131 1.00 0.00 O ATOM 813 CB LYS B 20 5.625 4.348 -3.660 1.00 0.00 C ATOM 814 CG LYS B 20 5.461 3.608 -4.976 1.00 0.00 C ATOM 815 CD LYS B 20 4.397 4.253 -5.850 1.00 0.00 C ATOM 816 CE LYS B 20 3.817 3.260 -6.844 1.00 0.00 C ATOM 817 NZ LYS B 20 2.660 3.830 -7.587 1.00 0.00 N ATOM 0 H LYS B 20 5.592 3.863 -1.237 1.00 0.00 H new ATOM 0 HA LYS B 20 7.224 2.970 -3.223 1.00 0.00 H new ATOM 0 HB2 LYS B 20 4.751 4.161 -3.036 1.00 0.00 H new ATOM 0 HB3 LYS B 20 5.653 5.420 -3.856 1.00 0.00 H new ATOM 0 HG2 LYS B 20 6.412 3.596 -5.508 1.00 0.00 H new ATOM 0 HG3 LYS B 20 5.192 2.570 -4.780 1.00 0.00 H new ATOM 0 HD2 LYS B 20 3.599 4.649 -5.222 1.00 0.00 H new ATOM 0 HD3 LYS B 20 4.829 5.098 -6.387 1.00 0.00 H new ATOM 0 HE2 LYS B 20 4.590 2.960 -7.551 1.00 0.00 H new ATOM 0 HE3 LYS B 20 3.502 2.360 -6.316 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 2.293 3.122 -8.255 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 1.911 4.093 -6.915 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 2.966 4.674 -8.111 1.00 0.00 H new ATOM 831 N GLN B 21 8.093 5.963 -2.284 1.00 0.00 N ATOM 832 CA GLN B 21 9.098 7.009 -2.416 1.00 0.00 C ATOM 833 C GLN B 21 10.433 6.584 -1.802 1.00 0.00 C ATOM 834 O GLN B 21 11.498 6.964 -2.290 1.00 0.00 O ATOM 835 CB GLN B 21 8.596 8.289 -1.744 1.00 0.00 C ATOM 836 CG GLN B 21 9.606 9.429 -1.749 1.00 0.00 C ATOM 837 CD GLN B 21 9.664 10.160 -0.422 1.00 0.00 C ATOM 838 OE1 GLN B 21 9.381 11.356 -0.347 1.00 0.00 O ATOM 839 NE2 GLN B 21 10.033 9.445 0.634 1.00 0.00 N ATOM 0 H GLN B 21 7.484 6.068 -1.473 1.00 0.00 H new ATOM 0 HA GLN B 21 9.264 7.191 -3.478 1.00 0.00 H new ATOM 0 HB2 GLN B 21 7.688 8.620 -2.248 1.00 0.00 H new ATOM 0 HB3 GLN B 21 8.324 8.063 -0.713 1.00 0.00 H new ATOM 0 HG2 GLN B 21 10.594 9.034 -1.986 1.00 0.00 H new ATOM 0 HG3 GLN B 21 9.348 10.135 -2.538 1.00 0.00 H new ATOM 0 HE21 GLN B 21 10.259 8.456 0.527 1.00 0.00 H new ATOM 0 HE22 GLN B 21 10.091 9.885 1.553 1.00 0.00 H new ATOM 848 N LYS B 22 10.370 5.809 -0.725 1.00 0.00 N ATOM 849 CA LYS B 22 11.575 5.350 -0.038 1.00 0.00 C ATOM 850 C LYS B 22 12.081 4.017 -0.594 1.00 0.00 C ATOM 851 O LYS B 22 13.171 3.572 -0.234 1.00 0.00 O ATOM 852 CB LYS B 22 11.298 5.198 1.459 1.00 0.00 C ATOM 853 CG LYS B 22 10.356 4.046 1.768 1.00 0.00 C ATOM 854 CD LYS B 22 10.007 3.952 3.246 1.00 0.00 C ATOM 855 CE LYS B 22 11.218 4.192 4.137 1.00 0.00 C ATOM 856 NZ LYS B 22 10.957 3.794 5.547 1.00 0.00 N ATOM 0 H LYS B 22 9.498 5.484 -0.307 1.00 0.00 H new ATOM 0 HA LYS B 22 12.348 6.101 -0.204 1.00 0.00 H new ATOM 0 HB2 LYS B 22 12.240 5.042 1.985 1.00 0.00 H new ATOM 0 HB3 LYS B 22 10.869 6.125 1.841 1.00 0.00 H new ATOM 0 HG2 LYS B 22 9.440 4.166 1.190 1.00 0.00 H new ATOM 0 HG3 LYS B 22 10.815 3.111 1.447 1.00 0.00 H new ATOM 0 HD2 LYS B 22 9.233 4.682 3.482 1.00 0.00 H new ATOM 0 HD3 LYS B 22 9.591 2.967 3.458 1.00 0.00 H new ATOM 0 HE2 LYS B 22 12.069 3.629 3.753 1.00 0.00 H new ATOM 0 HE3 LYS B 22 11.491 5.247 4.102 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 11.806 3.973 6.121 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 10.161 4.349 5.923 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 10.721 2.782 5.584 1.00 0.00 H new ATOM 870 N VAL B 23 11.286 3.375 -1.451 1.00 0.00 N ATOM 871 CA VAL B 23 11.667 2.083 -2.028 1.00 0.00 C ATOM 872 C VAL B 23 13.150 2.052 -2.403 1.00 0.00 C ATOM 873 O VAL B 23 13.892 1.177 -1.958 1.00 0.00 O ATOM 874 CB VAL B 23 10.824 1.737 -3.270 1.00 0.00 C ATOM 875 CG1 VAL B 23 11.217 0.376 -3.826 1.00 0.00 C ATOM 876 CG2 VAL B 23 9.346 1.763 -2.927 1.00 0.00 C ATOM 0 H VAL B 23 10.379 3.725 -1.760 1.00 0.00 H new ATOM 0 HA VAL B 23 11.477 1.336 -1.257 1.00 0.00 H new ATOM 0 HB VAL B 23 11.018 2.487 -4.037 1.00 0.00 H new ATOM 0 HG11 VAL B 23 10.609 0.152 -4.703 1.00 0.00 H new ATOM 0 HG12 VAL B 23 12.270 0.388 -4.108 1.00 0.00 H new ATOM 0 HG13 VAL B 23 11.054 -0.388 -3.066 1.00 0.00 H new ATOM 0 HG21 VAL B 23 8.762 1.517 -3.814 1.00 0.00 H new ATOM 0 HG22 VAL B 23 9.141 1.033 -2.144 1.00 0.00 H new ATOM 0 HG23 VAL B 23 9.071 2.758 -2.577 1.00 0.00 H new ATOM 886 N GLN B 24 13.573 3.015 -3.216 1.00 0.00 N ATOM 887 CA GLN B 24 14.968 3.097 -3.642 1.00 0.00 C ATOM 888 C GLN B 24 15.865 3.486 -2.472 1.00 0.00 C ATOM 889 O GLN B 24 17.025 3.076 -2.401 1.00 0.00 O ATOM 890 CB GLN B 24 15.126 4.110 -4.779 1.00 0.00 C ATOM 891 CG GLN B 24 13.999 4.067 -5.798 1.00 0.00 C ATOM 892 CD GLN B 24 14.312 4.866 -7.049 1.00 0.00 C ATOM 893 OE1 GLN B 24 13.568 5.773 -7.422 1.00 0.00 O ATOM 894 NE2 GLN B 24 15.418 4.532 -7.702 1.00 0.00 N ATOM 0 H GLN B 24 12.972 3.748 -3.593 1.00 0.00 H new ATOM 0 HA GLN B 24 15.269 2.114 -4.003 1.00 0.00 H new ATOM 0 HB2 GLN B 24 15.182 5.113 -4.355 1.00 0.00 H new ATOM 0 HB3 GLN B 24 16.072 3.926 -5.289 1.00 0.00 H new ATOM 0 HG2 GLN B 24 13.802 3.031 -6.073 1.00 0.00 H new ATOM 0 HG3 GLN B 24 13.088 4.454 -5.343 1.00 0.00 H new ATOM 0 HE21 GLN B 24 16.005 3.773 -7.356 1.00 0.00 H new ATOM 0 HE22 GLN B 24 15.681 5.034 -8.550 1.00 0.00 H new ATOM 903 N ALA B 25 15.320 4.274 -1.552 1.00 0.00 N ATOM 904 CA ALA B 25 16.067 4.714 -0.381 1.00 0.00 C ATOM 905 C ALA B 25 16.379 3.537 0.540 1.00 0.00 C ATOM 906 O ALA B 25 17.308 3.596 1.346 1.00 0.00 O ATOM 907 CB ALA B 25 15.290 5.784 0.371 1.00 0.00 C ATOM 0 H ALA B 25 14.362 4.621 -1.595 1.00 0.00 H new ATOM 0 HA ALA B 25 17.011 5.140 -0.720 1.00 0.00 H new ATOM 0 HB1 ALA B 25 15.861 6.103 1.243 1.00 0.00 H new ATOM 0 HB2 ALA B 25 15.121 6.639 -0.284 1.00 0.00 H new ATOM 0 HB3 ALA B 25 14.331 5.378 0.693 1.00 0.00 H new ATOM 913 N LEU B 26 15.595 2.469 0.415 1.00 0.00 N ATOM 914 CA LEU B 26 15.784 1.279 1.234 1.00 0.00 C ATOM 915 C LEU B 26 16.949 0.441 0.715 1.00 0.00 C ATOM 916 O LEU B 26 17.924 0.210 1.428 1.00 0.00 O ATOM 917 CB LEU B 26 14.502 0.444 1.253 1.00 0.00 C ATOM 918 CG LEU B 26 13.308 1.122 1.926 1.00 0.00 C ATOM 919 CD1 LEU B 26 12.007 0.477 1.481 1.00 0.00 C ATOM 920 CD2 LEU B 26 13.445 1.061 3.440 1.00 0.00 C ATOM 0 H LEU B 26 14.822 2.405 -0.247 1.00 0.00 H new ATOM 0 HA LEU B 26 16.017 1.597 2.250 1.00 0.00 H new ATOM 0 HB2 LEU B 26 14.231 0.196 0.227 1.00 0.00 H new ATOM 0 HB3 LEU B 26 14.705 -0.497 1.765 1.00 0.00 H new ATOM 0 HG LEU B 26 13.292 2.169 1.624 1.00 0.00 H new ATOM 0 HD11 LEU B 26 11.169 0.973 1.971 1.00 0.00 H new ATOM 0 HD12 LEU B 26 11.904 0.573 0.400 1.00 0.00 H new ATOM 0 HD13 LEU B 26 12.013 -0.579 1.753 1.00 0.00 H new ATOM 0 HD21 LEU B 26 12.587 1.548 3.903 1.00 0.00 H new ATOM 0 HD22 LEU B 26 13.487 0.020 3.760 1.00 0.00 H new ATOM 0 HD23 LEU B 26 14.359 1.571 3.743 1.00 0.00 H new ATOM 932 N ARG B 27 16.844 -0.012 -0.532 1.00 0.00 N ATOM 933 CA ARG B 27 17.896 -0.824 -1.142 1.00 0.00 C ATOM 934 C ARG B 27 19.270 -0.178 -0.965 1.00 0.00 C ATOM 935 O ARG B 27 20.292 -0.864 -0.962 1.00 0.00 O ATOM 936 CB ARG B 27 17.616 -1.059 -2.632 1.00 0.00 C ATOM 937 CG ARG B 27 17.004 0.131 -3.352 1.00 0.00 C ATOM 938 CD ARG B 27 15.749 -0.268 -4.114 1.00 0.00 C ATOM 939 NE ARG B 27 15.684 0.356 -5.434 1.00 0.00 N ATOM 940 CZ ARG B 27 14.759 0.065 -6.346 1.00 0.00 C ATOM 941 NH1 ARG B 27 13.821 -0.838 -6.086 1.00 0.00 N ATOM 942 NH2 ARG B 27 14.769 0.681 -7.521 1.00 0.00 N ATOM 0 H ARG B 27 16.044 0.168 -1.139 1.00 0.00 H new ATOM 0 HA ARG B 27 17.900 -1.787 -0.631 1.00 0.00 H new ATOM 0 HB2 ARG B 27 18.550 -1.326 -3.127 1.00 0.00 H new ATOM 0 HB3 ARG B 27 16.946 -1.913 -2.733 1.00 0.00 H new ATOM 0 HG2 ARG B 27 16.761 0.910 -2.629 1.00 0.00 H new ATOM 0 HG3 ARG B 27 17.733 0.554 -4.044 1.00 0.00 H new ATOM 0 HD2 ARG B 27 15.722 -1.352 -4.225 1.00 0.00 H new ATOM 0 HD3 ARG B 27 14.869 0.015 -3.536 1.00 0.00 H new ATOM 0 HE ARG B 27 16.388 1.055 -5.670 1.00 0.00 H new ATOM 0 HH11 ARG B 27 13.807 -1.313 -5.183 1.00 0.00 H new ATOM 0 HH12 ARG B 27 13.115 -1.057 -6.789 1.00 0.00 H new ATOM 0 HH21 ARG B 27 15.485 1.378 -7.726 1.00 0.00 H new ATOM 0 HH22 ARG B 27 14.060 0.458 -8.220 1.00 0.00 H new