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 Single : A 7 LYS NZ :NH3+ 151:sc= -1.22 (180deg=-2.55!) USER MOD Single : A 11 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.1) USER MOD Single : A 16 ASN : amide:sc= -4.75! C(o=-4.7!,f=-5.1!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 ASN : amide:sc= -5.95! C(o=-6!,f=-8.3!) 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 X(o=0,f=-0.097) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 GLN : amide:sc= -1.86 K(o=-1.9,f=-9.6!) USER MOD ----------------------------------------------------------------- ATOM 65 N LEU A 5 -14.919 0.310 -4.439 1.00 0.00 N ATOM 66 CA LEU A 5 -14.209 0.202 -3.171 1.00 0.00 C ATOM 67 C LEU A 5 -13.696 -1.219 -2.963 1.00 0.00 C ATOM 68 O LEU A 5 -12.606 -1.425 -2.430 1.00 0.00 O ATOM 69 CB LEU A 5 -15.124 0.602 -2.013 1.00 0.00 C ATOM 70 CG LEU A 5 -15.357 2.105 -1.865 1.00 0.00 C ATOM 71 CD1 LEU A 5 -16.509 2.374 -0.909 1.00 0.00 C ATOM 72 CD2 LEU A 5 -14.089 2.795 -1.383 1.00 0.00 C ATOM 0 HA LEU A 5 -13.356 0.880 -3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.088 0.111 -2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.698 0.222 -1.085 1.00 0.00 H new ATOM 0 HG LEU A 5 -15.620 2.512 -2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -16.661 3.449 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.417 1.911 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.275 1.954 0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -14.272 3.865 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -13.797 2.385 -0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -13.288 2.630 -2.104 1.00 0.00 H new ATOM 84 N GLU A 6 -14.490 -2.195 -3.391 1.00 0.00 N ATOM 85 CA GLU A 6 -14.118 -3.597 -3.257 1.00 0.00 C ATOM 86 C GLU A 6 -12.839 -3.896 -4.032 1.00 0.00 C ATOM 87 O GLU A 6 -12.085 -4.803 -3.680 1.00 0.00 O ATOM 88 CB GLU A 6 -15.251 -4.496 -3.758 1.00 0.00 C ATOM 89 CG GLU A 6 -16.499 -4.441 -2.892 1.00 0.00 C ATOM 90 CD GLU A 6 -17.682 -5.139 -3.531 1.00 0.00 C ATOM 91 OE1 GLU A 6 -17.645 -6.381 -3.653 1.00 0.00 O ATOM 92 OE2 GLU A 6 -18.647 -4.443 -3.913 1.00 0.00 O ATOM 0 H GLU A 6 -15.396 -2.040 -3.834 1.00 0.00 H new ATOM 0 HA GLU A 6 -13.939 -3.801 -2.201 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.512 -4.205 -4.776 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.895 -5.525 -3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.288 -4.902 -1.927 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.757 -3.400 -2.699 1.00 0.00 H new ATOM 99 N LYS A 7 -12.603 -3.128 -5.091 1.00 0.00 N ATOM 100 CA LYS A 7 -11.414 -3.309 -5.917 1.00 0.00 C ATOM 101 C LYS A 7 -10.273 -2.431 -5.419 1.00 0.00 C ATOM 102 O LYS A 7 -9.103 -2.799 -5.519 1.00 0.00 O ATOM 103 CB LYS A 7 -11.718 -2.981 -7.385 1.00 0.00 C ATOM 104 CG LYS A 7 -13.123 -3.365 -7.832 1.00 0.00 C ATOM 105 CD LYS A 7 -13.163 -4.770 -8.410 1.00 0.00 C ATOM 106 CE LYS A 7 -12.730 -4.787 -9.867 1.00 0.00 C ATOM 107 NZ LYS A 7 -11.250 -4.716 -10.007 1.00 0.00 N ATOM 0 H LYS A 7 -13.219 -2.375 -5.397 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.112 -4.354 -5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.578 -1.912 -7.543 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.994 -3.495 -8.018 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.805 -3.300 -6.984 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.475 -2.654 -8.579 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.512 -5.422 -7.828 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.173 -5.171 -8.325 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.097 -5.696 -10.344 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.185 -3.946 -10.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.960 -5.201 -10.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.953 -3.720 -10.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.801 -5.177 -9.190 1.00 0.00 H new ATOM 121 N GLU A 8 -10.622 -1.269 -4.877 1.00 0.00 N ATOM 122 CA GLU A 8 -9.627 -0.341 -4.359 1.00 0.00 C ATOM 123 C GLU A 8 -8.829 -0.973 -3.221 1.00 0.00 C ATOM 124 O GLU A 8 -7.705 -0.559 -2.936 1.00 0.00 O ATOM 125 CB GLU A 8 -10.298 0.944 -3.877 1.00 0.00 C ATOM 126 CG GLU A 8 -9.333 2.105 -3.704 1.00 0.00 C ATOM 127 CD GLU A 8 -10.031 3.395 -3.316 1.00 0.00 C ATOM 128 OE1 GLU A 8 -11.277 3.447 -3.407 1.00 0.00 O ATOM 129 OE2 GLU A 8 -9.333 4.353 -2.923 1.00 0.00 O ATOM 0 H GLU A 8 -11.586 -0.949 -4.786 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.938 -0.100 -5.168 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.072 1.229 -4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.795 0.750 -2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.598 1.850 -2.940 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.786 2.259 -4.634 1.00 0.00 H new ATOM 136 N VAL A 9 -9.414 -1.981 -2.579 1.00 0.00 N ATOM 137 CA VAL A 9 -8.750 -2.672 -1.479 1.00 0.00 C ATOM 138 C VAL A 9 -7.748 -3.690 -2.011 1.00 0.00 C ATOM 139 O VAL A 9 -6.560 -3.629 -1.697 1.00 0.00 O ATOM 140 CB VAL A 9 -9.768 -3.383 -0.564 1.00 0.00 C ATOM 141 CG1 VAL A 9 -9.059 -4.186 0.519 1.00 0.00 C ATOM 142 CG2 VAL A 9 -10.720 -2.372 0.056 1.00 0.00 C ATOM 0 H VAL A 9 -10.344 -2.336 -2.801 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.224 -1.919 -0.893 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.347 -4.077 -1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.799 -4.678 1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.421 -4.938 0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.449 -3.518 1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.432 -2.889 0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.153 -1.653 0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.258 -1.848 -0.733 1.00 0.00 H new ATOM 152 N ALA A 10 -8.233 -4.620 -2.828 1.00 0.00 N ATOM 153 CA ALA A 10 -7.375 -5.643 -3.413 1.00 0.00 C ATOM 154 C ALA A 10 -6.196 -5.009 -4.143 1.00 0.00 C ATOM 155 O ALA A 10 -5.141 -5.625 -4.295 1.00 0.00 O ATOM 156 CB ALA A 10 -8.176 -6.526 -4.360 1.00 0.00 C ATOM 0 H ALA A 10 -9.214 -4.686 -3.099 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.982 -6.262 -2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.523 -7.285 -4.790 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.983 -7.010 -3.811 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.596 -5.915 -5.159 1.00 0.00 H new ATOM 162 N GLN A 11 -6.384 -3.768 -4.587 1.00 0.00 N ATOM 163 CA GLN A 11 -5.340 -3.041 -5.295 1.00 0.00 C ATOM 164 C GLN A 11 -4.169 -2.739 -4.365 1.00 0.00 C ATOM 165 O GLN A 11 -3.015 -3.016 -4.694 1.00 0.00 O ATOM 166 CB GLN A 11 -5.902 -1.740 -5.873 1.00 0.00 C ATOM 167 CG GLN A 11 -4.865 -0.896 -6.599 1.00 0.00 C ATOM 168 CD GLN A 11 -5.121 -0.812 -8.091 1.00 0.00 C ATOM 169 OE1 GLN A 11 -4.209 -0.985 -8.900 1.00 0.00 O ATOM 170 NE2 GLN A 11 -6.367 -0.541 -8.463 1.00 0.00 N ATOM 0 H GLN A 11 -7.252 -3.247 -4.467 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.980 -3.665 -6.112 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.711 -1.979 -6.563 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.336 -1.151 -5.065 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.861 0.109 -6.178 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.875 -1.317 -6.427 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.092 -0.405 -7.758 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.599 -0.469 -9.454 1.00 0.00 H new ATOM 179 N LEU A 12 -4.473 -2.169 -3.201 1.00 0.00 N ATOM 180 CA LEU A 12 -3.442 -1.833 -2.226 1.00 0.00 C ATOM 181 C LEU A 12 -3.035 -3.060 -1.419 1.00 0.00 C ATOM 182 O LEU A 12 -1.883 -3.190 -1.008 1.00 0.00 O ATOM 183 CB LEU A 12 -3.933 -0.734 -1.284 1.00 0.00 C ATOM 184 CG LEU A 12 -4.414 0.544 -1.971 1.00 0.00 C ATOM 185 CD1 LEU A 12 -5.127 1.447 -0.976 1.00 0.00 C ATOM 186 CD2 LEU A 12 -3.244 1.275 -2.611 1.00 0.00 C ATOM 0 H LEU A 12 -5.422 -1.931 -2.912 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.571 -1.471 -2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.749 -1.132 -0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.125 -0.477 -0.599 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.120 0.270 -2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.463 2.352 -1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.988 0.923 -0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.442 1.714 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.603 2.183 -3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.515 1.537 -1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.773 0.629 -3.353 1.00 0.00 H new ATOM 198 N GLU A 13 -3.985 -3.961 -1.191 1.00 0.00 N ATOM 199 CA GLU A 13 -3.714 -5.174 -0.430 1.00 0.00 C ATOM 200 C GLU A 13 -2.626 -6.009 -1.104 1.00 0.00 C ATOM 201 O GLU A 13 -1.938 -6.792 -0.450 1.00 0.00 O ATOM 202 CB GLU A 13 -4.991 -6.002 -0.276 1.00 0.00 C ATOM 203 CG GLU A 13 -5.756 -5.702 1.002 1.00 0.00 C ATOM 204 CD GLU A 13 -6.971 -6.594 1.177 1.00 0.00 C ATOM 205 OE1 GLU A 13 -7.439 -7.163 0.170 1.00 0.00 O ATOM 206 OE2 GLU A 13 -7.451 -6.723 2.323 1.00 0.00 O ATOM 0 H GLU A 13 -4.946 -3.874 -1.521 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.360 -4.881 0.559 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.641 -5.816 -1.131 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.733 -7.061 -0.296 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.092 -5.827 1.857 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.073 -4.659 0.995 1.00 0.00 H new ATOM 213 N ALA A 14 -2.476 -5.834 -2.414 1.00 0.00 N ATOM 214 CA ALA A 14 -1.470 -6.568 -3.171 1.00 0.00 C ATOM 215 C ALA A 14 -0.148 -5.809 -3.209 1.00 0.00 C ATOM 216 O ALA A 14 0.925 -6.406 -3.124 1.00 0.00 O ATOM 217 CB ALA A 14 -1.966 -6.837 -4.584 1.00 0.00 C ATOM 0 H ALA A 14 -3.038 -5.191 -2.972 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.298 -7.520 -2.670 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.205 -7.386 -5.138 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.881 -7.428 -4.542 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.168 -5.890 -5.085 1.00 0.00 H new ATOM 223 N GLU A 15 -0.235 -4.488 -3.335 1.00 0.00 N ATOM 224 CA GLU A 15 0.955 -3.644 -3.383 1.00 0.00 C ATOM 225 C GLU A 15 1.468 -3.348 -1.978 1.00 0.00 C ATOM 226 O GLU A 15 2.635 -3.589 -1.668 1.00 0.00 O ATOM 227 CB GLU A 15 0.649 -2.337 -4.114 1.00 0.00 C ATOM 228 CG GLU A 15 1.886 -1.635 -4.649 1.00 0.00 C ATOM 229 CD GLU A 15 1.744 -1.227 -6.102 1.00 0.00 C ATOM 230 OE1 GLU A 15 1.114 -1.982 -6.872 1.00 0.00 O ATOM 231 OE2 GLU A 15 2.264 -0.152 -6.471 1.00 0.00 O ATOM 0 H GLU A 15 -1.116 -3.979 -3.406 1.00 0.00 H new ATOM 0 HA GLU A 15 1.731 -4.182 -3.927 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.028 -2.544 -4.943 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.125 -1.665 -3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.086 -0.750 -4.045 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.747 -2.295 -4.543 1.00 0.00 H new ATOM 238 N ASN A 16 0.588 -2.824 -1.129 1.00 0.00 N ATOM 239 CA ASN A 16 0.947 -2.493 0.247 1.00 0.00 C ATOM 240 C ASN A 16 1.629 -3.673 0.934 1.00 0.00 C ATOM 241 O ASN A 16 2.476 -3.490 1.809 1.00 0.00 O ATOM 242 CB ASN A 16 -0.302 -2.081 1.029 1.00 0.00 C ATOM 243 CG ASN A 16 0.012 -1.688 2.459 1.00 0.00 C ATOM 244 OD1 ASN A 16 1.145 -1.330 2.783 1.00 0.00 O ATOM 245 ND2 ASN A 16 -0.993 -1.751 3.323 1.00 0.00 N ATOM 0 H ASN A 16 -0.382 -2.619 -1.371 1.00 0.00 H new ATOM 0 HA ASN A 16 1.649 -1.659 0.226 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.784 -1.244 0.523 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.014 -2.906 1.030 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.843 -1.497 4.299 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.916 -2.053 3.011 1.00 0.00 H new ATOM 252 N TYR A 17 1.256 -4.882 0.531 1.00 0.00 N ATOM 253 CA TYR A 17 1.833 -6.092 1.106 1.00 0.00 C ATOM 254 C TYR A 17 3.124 -6.474 0.387 1.00 0.00 C ATOM 255 O TYR A 17 4.113 -6.843 1.021 1.00 0.00 O ATOM 256 CB TYR A 17 0.827 -7.245 1.026 1.00 0.00 C ATOM 257 CG TYR A 17 1.402 -8.588 1.423 1.00 0.00 C ATOM 258 CD1 TYR A 17 1.948 -8.785 2.685 1.00 0.00 C ATOM 259 CD2 TYR A 17 1.398 -9.657 0.536 1.00 0.00 C ATOM 260 CE1 TYR A 17 2.474 -10.009 3.052 1.00 0.00 C ATOM 261 CE2 TYR A 17 1.922 -10.884 0.895 1.00 0.00 C ATOM 262 CZ TYR A 17 2.458 -11.055 2.153 1.00 0.00 C ATOM 263 OH TYR A 17 2.981 -12.275 2.515 1.00 0.00 O ATOM 0 H TYR A 17 0.556 -5.051 -0.192 1.00 0.00 H new ATOM 0 HA TYR A 17 2.068 -5.895 2.152 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.022 -7.019 1.671 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.445 -7.311 0.007 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.962 -7.968 3.391 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.978 -9.527 -0.451 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.895 -10.146 4.037 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.912 -11.705 0.193 1.00 0.00 H new ATOM 0 HH TYR A 17 2.891 -12.904 1.769 1.00 0.00 H new ATOM 273 N GLN A 18 3.105 -6.386 -0.938 1.00 0.00 N ATOM 274 CA GLN A 18 4.270 -6.726 -1.746 1.00 0.00 C ATOM 275 C GLN A 18 5.484 -5.893 -1.343 1.00 0.00 C ATOM 276 O GLN A 18 6.597 -6.410 -1.247 1.00 0.00 O ATOM 277 CB GLN A 18 3.961 -6.518 -3.230 1.00 0.00 C ATOM 278 CG GLN A 18 3.674 -7.810 -3.978 1.00 0.00 C ATOM 279 CD GLN A 18 3.306 -7.574 -5.430 1.00 0.00 C ATOM 280 OE1 GLN A 18 2.152 -7.740 -5.825 1.00 0.00 O ATOM 281 NE2 GLN A 18 4.289 -7.184 -6.233 1.00 0.00 N ATOM 0 H GLN A 18 2.294 -6.081 -1.476 1.00 0.00 H new ATOM 0 HA GLN A 18 4.506 -7.776 -1.572 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.101 -5.855 -3.324 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.805 -6.015 -3.701 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.551 -8.456 -3.930 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.860 -8.339 -3.482 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.231 -7.059 -5.862 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.102 -7.009 -7.220 1.00 0.00 H new ATOM 290 N LEU A 19 5.265 -4.603 -1.109 1.00 0.00 N ATOM 291 CA LEU A 19 6.343 -3.705 -0.718 1.00 0.00 C ATOM 292 C LEU A 19 6.797 -3.991 0.708 1.00 0.00 C ATOM 293 O LEU A 19 7.989 -4.111 0.976 1.00 0.00 O ATOM 294 CB LEU A 19 5.893 -2.250 -0.837 1.00 0.00 C ATOM 295 CG LEU A 19 5.546 -1.789 -2.254 1.00 0.00 C ATOM 296 CD1 LEU A 19 5.217 -0.303 -2.267 1.00 0.00 C ATOM 297 CD2 LEU A 19 6.693 -2.093 -3.209 1.00 0.00 C ATOM 0 H LEU A 19 4.351 -4.157 -1.184 1.00 0.00 H new ATOM 0 HA LEU A 19 7.184 -3.874 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.020 -2.103 -0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.684 -1.609 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 19 4.665 -2.337 -2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.973 0.007 -3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.364 -0.113 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.078 0.263 -1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.429 -1.759 -4.212 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.591 -1.572 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.881 -3.167 -3.222 1.00 0.00 H new ATOM 309 N GLU A 20 5.839 -4.097 1.621 1.00 0.00 N ATOM 310 CA GLU A 20 6.145 -4.367 3.022 1.00 0.00 C ATOM 311 C GLU A 20 7.052 -5.587 3.165 1.00 0.00 C ATOM 312 O GLU A 20 7.792 -5.711 4.141 1.00 0.00 O ATOM 313 CB GLU A 20 4.855 -4.583 3.813 1.00 0.00 C ATOM 314 CG GLU A 20 4.986 -4.256 5.292 1.00 0.00 C ATOM 315 CD GLU A 20 3.659 -4.322 6.023 1.00 0.00 C ATOM 316 OE1 GLU A 20 3.190 -5.445 6.301 1.00 0.00 O ATOM 317 OE2 GLU A 20 3.091 -3.249 6.317 1.00 0.00 O ATOM 0 H GLU A 20 4.844 -4.000 1.417 1.00 0.00 H new ATOM 0 HA GLU A 20 6.672 -3.501 3.422 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.067 -3.966 3.382 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.542 -5.622 3.705 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.686 -4.952 5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.409 -3.258 5.404 1.00 0.00 H new ATOM 324 N GLN A 21 6.987 -6.486 2.188 1.00 0.00 N ATOM 325 CA GLN A 21 7.801 -7.697 2.209 1.00 0.00 C ATOM 326 C GLN A 21 9.075 -7.521 1.383 1.00 0.00 C ATOM 327 O GLN A 21 10.075 -8.199 1.622 1.00 0.00 O ATOM 328 CB GLN A 21 6.994 -8.884 1.678 1.00 0.00 C ATOM 329 CG GLN A 21 7.127 -10.139 2.525 1.00 0.00 C ATOM 330 CD GLN A 21 6.461 -11.344 1.890 1.00 0.00 C ATOM 331 OE1 GLN A 21 5.725 -11.216 0.912 1.00 0.00 O ATOM 332 NE2 GLN A 21 6.716 -12.523 2.445 1.00 0.00 N ATOM 0 H GLN A 21 6.380 -6.399 1.373 1.00 0.00 H new ATOM 0 HA GLN A 21 8.089 -7.891 3.242 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.942 -8.602 1.624 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.317 -9.106 0.661 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.183 -10.355 2.685 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.686 -9.960 3.506 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.333 -12.583 3.255 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.295 -13.369 2.061 1.00 0.00 H new ATOM 341 N GLU A 22 9.034 -6.611 0.413 1.00 0.00 N ATOM 342 CA GLU A 22 10.190 -6.359 -0.443 1.00 0.00 C ATOM 343 C GLU A 22 11.086 -5.272 0.147 1.00 0.00 C ATOM 344 O GLU A 22 12.289 -5.241 -0.109 1.00 0.00 O ATOM 345 CB GLU A 22 9.734 -5.954 -1.847 1.00 0.00 C ATOM 346 CG GLU A 22 10.521 -6.625 -2.960 1.00 0.00 C ATOM 347 CD GLU A 22 11.658 -5.763 -3.474 1.00 0.00 C ATOM 348 OE1 GLU A 22 11.493 -4.526 -3.512 1.00 0.00 O ATOM 349 OE2 GLU A 22 12.711 -6.325 -3.840 1.00 0.00 O ATOM 0 H GLU A 22 8.217 -6.038 0.201 1.00 0.00 H new ATOM 0 HA GLU A 22 10.767 -7.282 -0.506 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.678 -6.199 -1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.824 -4.873 -1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.923 -7.571 -2.596 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.848 -6.861 -3.784 1.00 0.00 H new ATOM 356 N VAL A 23 10.491 -4.382 0.935 1.00 0.00 N ATOM 357 CA VAL A 23 11.235 -3.295 1.558 1.00 0.00 C ATOM 358 C VAL A 23 12.052 -3.797 2.743 1.00 0.00 C ATOM 359 O VAL A 23 13.103 -3.243 3.065 1.00 0.00 O ATOM 360 CB VAL A 23 10.293 -2.171 2.032 1.00 0.00 C ATOM 361 CG1 VAL A 23 11.093 -0.977 2.533 1.00 0.00 C ATOM 362 CG2 VAL A 23 9.346 -1.757 0.915 1.00 0.00 C ATOM 0 H VAL A 23 9.495 -4.393 1.157 1.00 0.00 H new ATOM 0 HA VAL A 23 11.910 -2.896 0.801 1.00 0.00 H new ATOM 0 HB VAL A 23 9.695 -2.551 2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 23 10.410 -0.194 2.863 1.00 0.00 H new ATOM 0 HG12 VAL A 23 11.722 -1.285 3.368 1.00 0.00 H new ATOM 0 HG13 VAL A 23 11.720 -0.595 1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.690 -0.963 1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.923 -1.397 0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.746 -2.614 0.610 1.00 0.00 H new ATOM 372 N ALA A 24 11.563 -4.851 3.389 1.00 0.00 N ATOM 373 CA ALA A 24 12.246 -5.429 4.541 1.00 0.00 C ATOM 374 C ALA A 24 13.666 -5.862 4.184 1.00 0.00 C ATOM 375 O ALA A 24 14.532 -5.955 5.055 1.00 0.00 O ATOM 376 CB ALA A 24 11.455 -6.610 5.083 1.00 0.00 C ATOM 0 H ALA A 24 10.695 -5.323 3.134 1.00 0.00 H new ATOM 0 HA ALA A 24 12.313 -4.662 5.312 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.975 -7.033 5.943 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.464 -6.275 5.388 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.359 -7.370 4.308 1.00 0.00 H new ATOM 382 N GLN A 25 13.899 -6.128 2.903 1.00 0.00 N ATOM 383 CA GLN A 25 15.216 -6.554 2.439 1.00 0.00 C ATOM 384 C GLN A 25 16.014 -5.375 1.890 1.00 0.00 C ATOM 385 O GLN A 25 17.227 -5.293 2.080 1.00 0.00 O ATOM 386 CB GLN A 25 15.076 -7.633 1.364 1.00 0.00 C ATOM 387 CG GLN A 25 14.289 -8.851 1.822 1.00 0.00 C ATOM 388 CD GLN A 25 14.860 -10.149 1.285 1.00 0.00 C ATOM 389 OE1 GLN A 25 14.395 -10.673 0.273 1.00 0.00 O ATOM 390 NE2 GLN A 25 15.873 -10.675 1.964 1.00 0.00 N ATOM 0 H GLN A 25 13.195 -6.057 2.168 1.00 0.00 H new ATOM 0 HA GLN A 25 15.755 -6.965 3.292 1.00 0.00 H new ATOM 0 HB2 GLN A 25 14.587 -7.202 0.490 1.00 0.00 H new ATOM 0 HB3 GLN A 25 16.070 -7.951 1.048 1.00 0.00 H new ATOM 0 HG2 GLN A 25 14.281 -8.885 2.911 1.00 0.00 H new ATOM 0 HG3 GLN A 25 13.253 -8.753 1.498 1.00 0.00 H new ATOM 0 HE21 GLN A 25 16.226 -10.206 2.798 1.00 0.00 H new ATOM 0 HE22 GLN A 25 16.298 -11.548 1.652 1.00 0.00 H new ATOM 399 N LEU A 26 15.326 -4.465 1.208 1.00 0.00 N ATOM 400 CA LEU A 26 15.974 -3.293 0.629 1.00 0.00 C ATOM 401 C LEU A 26 16.669 -2.463 1.706 1.00 0.00 C ATOM 402 O LEU A 26 17.893 -2.336 1.711 1.00 0.00 O ATOM 403 CB LEU A 26 14.952 -2.433 -0.116 1.00 0.00 C ATOM 404 CG LEU A 26 14.311 -3.099 -1.335 1.00 0.00 C ATOM 405 CD1 LEU A 26 13.119 -2.291 -1.821 1.00 0.00 C ATOM 406 CD2 LEU A 26 15.335 -3.267 -2.448 1.00 0.00 C ATOM 0 H LEU A 26 14.321 -4.516 1.043 1.00 0.00 H new ATOM 0 HA LEU A 26 16.728 -3.640 -0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.163 -2.148 0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.440 -1.513 -0.438 1.00 0.00 H new ATOM 0 HG LEU A 26 13.956 -4.087 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.677 -2.781 -2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.377 -2.223 -1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.447 -1.289 -2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.863 -3.742 -3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.719 -2.290 -2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 26 16.157 -3.890 -2.095 1.00 0.00 H new ATOM 418 N GLU A 27 15.881 -1.902 2.618 1.00 0.00 N ATOM 419 CA GLU A 27 16.426 -1.086 3.698 1.00 0.00 C ATOM 420 C GLU A 27 16.842 -1.956 4.881 1.00 0.00 C ATOM 421 O GLU A 27 16.368 -1.769 6.002 1.00 0.00 O ATOM 422 CB GLU A 27 15.400 -0.044 4.150 1.00 0.00 C ATOM 423 CG GLU A 27 14.058 -0.641 4.544 1.00 0.00 C ATOM 424 CD GLU A 27 13.735 -0.435 6.012 1.00 0.00 C ATOM 425 OE1 GLU A 27 13.980 0.678 6.523 1.00 0.00 O ATOM 426 OE2 GLU A 27 13.239 -1.387 6.649 1.00 0.00 O ATOM 0 H GLU A 27 14.866 -1.997 2.631 1.00 0.00 H new ATOM 0 HA GLU A 27 17.310 -0.572 3.320 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.805 0.509 4.998 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.246 0.675 3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.272 -0.192 3.937 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.061 -1.708 4.323 1.00 0.00 H new ATOM 513 N GLN B 3 -18.667 1.864 3.758 1.00 0.00 N ATOM 514 CA GLN B 3 -17.872 2.382 4.870 1.00 0.00 C ATOM 515 C GLN B 3 -16.723 1.440 5.246 1.00 0.00 C ATOM 516 O GLN B 3 -15.550 1.761 5.055 1.00 0.00 O ATOM 517 CB GLN B 3 -18.763 2.633 6.088 1.00 0.00 C ATOM 518 CG GLN B 3 -18.084 3.444 7.180 1.00 0.00 C ATOM 519 CD GLN B 3 -19.076 4.148 8.085 1.00 0.00 C ATOM 520 OE1 GLN B 3 -19.492 3.608 9.109 1.00 0.00 O ATOM 521 NE2 GLN B 3 -19.461 5.362 7.710 1.00 0.00 N ATOM 0 HA GLN B 3 -17.432 3.323 4.542 1.00 0.00 H new ATOM 0 HB2 GLN B 3 -19.665 3.154 5.767 1.00 0.00 H new ATOM 0 HB3 GLN B 3 -19.078 1.675 6.501 1.00 0.00 H new ATOM 0 HG2 GLN B 3 -17.455 2.785 7.779 1.00 0.00 H new ATOM 0 HG3 GLN B 3 -17.426 4.183 6.723 1.00 0.00 H new ATOM 0 HE21 GLN B 3 -19.091 5.772 6.853 1.00 0.00 H new ATOM 0 HE22 GLN B 3 -20.127 5.884 8.279 1.00 0.00 H new ATOM 530 N ALA B 4 -17.082 0.286 5.813 1.00 0.00 N ATOM 531 CA ALA B 4 -16.107 -0.713 6.262 1.00 0.00 C ATOM 532 C ALA B 4 -15.113 -1.111 5.173 1.00 0.00 C ATOM 533 O ALA B 4 -14.059 -1.674 5.467 1.00 0.00 O ATOM 534 CB ALA B 4 -16.829 -1.945 6.784 1.00 0.00 C ATOM 0 H ALA B 4 -18.053 0.017 5.974 1.00 0.00 H new ATOM 0 HA ALA B 4 -15.528 -0.252 7.062 1.00 0.00 H new ATOM 0 HB1 ALA B 4 -16.098 -2.682 7.115 1.00 0.00 H new ATOM 0 HB2 ALA B 4 -17.467 -1.665 7.622 1.00 0.00 H new ATOM 0 HB3 ALA B 4 -17.440 -2.372 5.989 1.00 0.00 H new ATOM 540 N LEU B 5 -15.438 -0.813 3.923 1.00 0.00 N ATOM 541 CA LEU B 5 -14.554 -1.140 2.808 1.00 0.00 C ATOM 542 C LEU B 5 -13.826 0.109 2.345 1.00 0.00 C ATOM 543 O LEU B 5 -12.710 0.056 1.829 1.00 0.00 O ATOM 544 CB LEU B 5 -15.360 -1.718 1.651 1.00 0.00 C ATOM 545 CG LEU B 5 -15.518 -3.238 1.657 1.00 0.00 C ATOM 546 CD1 LEU B 5 -16.832 -3.640 1.005 1.00 0.00 C ATOM 547 CD2 LEU B 5 -14.346 -3.898 0.946 1.00 0.00 C ATOM 0 H LEU B 5 -16.304 -0.347 3.654 1.00 0.00 H new ATOM 0 HA LEU B 5 -13.827 -1.881 3.142 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -16.352 -1.267 1.660 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -14.884 -1.423 0.716 1.00 0.00 H new ATOM 0 HG LEU B 5 -15.529 -3.579 2.692 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -16.928 -4.726 1.018 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -17.662 -3.196 1.555 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -16.850 -3.287 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -14.475 -4.980 0.960 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -14.304 -3.551 -0.086 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -13.418 -3.637 1.455 1.00 0.00 H new ATOM 559 N LYS B 6 -14.499 1.226 2.532 1.00 0.00 N ATOM 560 CA LYS B 6 -13.998 2.527 2.151 1.00 0.00 C ATOM 561 C LYS B 6 -12.847 2.971 3.052 1.00 0.00 C ATOM 562 O LYS B 6 -11.710 3.117 2.602 1.00 0.00 O ATOM 563 CB LYS B 6 -15.164 3.499 2.242 1.00 0.00 C ATOM 564 CG LYS B 6 -14.795 4.969 2.154 1.00 0.00 C ATOM 565 CD LYS B 6 -14.995 5.513 0.748 1.00 0.00 C ATOM 566 CE LYS B 6 -15.660 6.879 0.769 1.00 0.00 C ATOM 567 NZ LYS B 6 -17.119 6.783 1.045 1.00 0.00 N ATOM 0 H LYS B 6 -15.424 1.254 2.960 1.00 0.00 H new ATOM 0 HA LYS B 6 -13.598 2.494 1.137 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -15.869 3.270 1.443 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -15.685 3.328 3.184 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -15.403 5.540 2.856 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -13.755 5.102 2.452 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -14.031 5.584 0.244 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -15.606 4.818 0.171 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -15.187 7.501 1.529 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -15.504 7.373 -0.190 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -17.535 7.736 1.051 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -17.575 6.211 0.306 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -17.268 6.335 1.971 1.00 0.00 H new ATOM 581 N LYS B 7 -13.158 3.195 4.322 1.00 0.00 N ATOM 582 CA LYS B 7 -12.164 3.638 5.293 1.00 0.00 C ATOM 583 C LYS B 7 -11.013 2.642 5.428 1.00 0.00 C ATOM 584 O LYS B 7 -9.947 2.988 5.936 1.00 0.00 O ATOM 585 CB LYS B 7 -12.825 3.852 6.654 1.00 0.00 C ATOM 586 CG LYS B 7 -13.606 5.152 6.754 1.00 0.00 C ATOM 587 CD LYS B 7 -15.088 4.937 6.484 1.00 0.00 C ATOM 588 CE LYS B 7 -15.615 5.914 5.445 1.00 0.00 C ATOM 589 NZ LYS B 7 -16.314 7.069 6.072 1.00 0.00 N ATOM 0 H LYS B 7 -14.096 3.077 4.706 1.00 0.00 H new ATOM 0 HA LYS B 7 -11.748 4.578 4.932 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -13.497 3.018 6.857 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -12.057 3.839 7.427 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -13.475 5.580 7.748 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -13.206 5.873 6.041 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -15.251 3.916 6.140 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -15.648 5.054 7.412 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -14.787 6.278 4.836 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -16.300 5.396 4.774 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -16.658 7.711 5.330 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -17.120 6.725 6.632 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -15.654 7.579 6.692 1.00 0.00 H new ATOM 603 N ARG B 8 -11.228 1.407 4.985 1.00 0.00 N ATOM 604 CA ARG B 8 -10.194 0.381 5.079 1.00 0.00 C ATOM 605 C ARG B 8 -9.117 0.571 4.013 1.00 0.00 C ATOM 606 O ARG B 8 -7.968 0.172 4.203 1.00 0.00 O ATOM 607 CB ARG B 8 -10.817 -1.019 4.979 1.00 0.00 C ATOM 608 CG ARG B 8 -11.137 -1.471 3.560 1.00 0.00 C ATOM 609 CD ARG B 8 -10.662 -2.894 3.309 1.00 0.00 C ATOM 610 NE ARG B 8 -11.775 -3.836 3.215 1.00 0.00 N ATOM 611 CZ ARG B 8 -12.406 -4.346 4.271 1.00 0.00 C ATOM 612 NH1 ARG B 8 -12.037 -4.011 5.500 1.00 0.00 N ATOM 613 NH2 ARG B 8 -13.410 -5.195 4.096 1.00 0.00 N ATOM 0 H ARG B 8 -12.101 1.094 4.561 1.00 0.00 H new ATOM 0 HA ARG B 8 -9.713 0.480 6.052 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -10.134 -1.739 5.430 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -11.734 -1.037 5.568 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -12.212 -1.410 3.391 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -10.663 -0.797 2.846 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -10.082 -2.925 2.386 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -9.995 -3.201 4.115 1.00 0.00 H new ATOM 0 HE ARG B 8 -12.087 -4.120 2.286 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -11.265 -3.359 5.641 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -12.525 -4.405 6.304 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -13.698 -5.457 3.153 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -13.894 -5.586 4.904 1.00 0.00 H new ATOM 627 N VAL B 9 -9.490 1.183 2.892 1.00 0.00 N ATOM 628 CA VAL B 9 -8.545 1.420 1.805 1.00 0.00 C ATOM 629 C VAL B 9 -7.388 2.298 2.271 1.00 0.00 C ATOM 630 O VAL B 9 -6.221 1.951 2.094 1.00 0.00 O ATOM 631 CB VAL B 9 -9.230 2.083 0.592 1.00 0.00 C ATOM 632 CG1 VAL B 9 -8.228 2.341 -0.526 1.00 0.00 C ATOM 633 CG2 VAL B 9 -10.378 1.219 0.094 1.00 0.00 C ATOM 0 H VAL B 9 -10.435 1.522 2.713 1.00 0.00 H new ATOM 0 HA VAL B 9 -8.161 0.447 1.500 1.00 0.00 H new ATOM 0 HB VAL B 9 -9.632 3.044 0.911 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -8.736 2.809 -1.369 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -7.441 3.003 -0.164 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -7.789 1.396 -0.846 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -10.851 1.700 -0.762 1.00 0.00 H new ATOM 0 HG22 VAL B 9 -9.996 0.243 -0.204 1.00 0.00 H new ATOM 0 HG23 VAL B 9 -11.111 1.094 0.891 1.00 0.00 H new ATOM 643 N GLN B 10 -7.721 3.439 2.867 1.00 0.00 N ATOM 644 CA GLN B 10 -6.710 4.368 3.358 1.00 0.00 C ATOM 645 C GLN B 10 -5.710 3.658 4.266 1.00 0.00 C ATOM 646 O GLN B 10 -4.551 4.057 4.361 1.00 0.00 O ATOM 647 CB GLN B 10 -7.372 5.524 4.111 1.00 0.00 C ATOM 648 CG GLN B 10 -8.039 5.104 5.411 1.00 0.00 C ATOM 649 CD GLN B 10 -7.350 5.678 6.634 1.00 0.00 C ATOM 650 OE1 GLN B 10 -6.160 5.455 6.852 1.00 0.00 O ATOM 651 NE2 GLN B 10 -8.099 6.423 7.440 1.00 0.00 N ATOM 0 H GLN B 10 -8.683 3.742 3.021 1.00 0.00 H new ATOM 0 HA GLN B 10 -6.171 4.766 2.498 1.00 0.00 H new ATOM 0 HB2 GLN B 10 -6.620 6.283 4.327 1.00 0.00 H new ATOM 0 HB3 GLN B 10 -8.117 5.988 3.464 1.00 0.00 H new ATOM 0 HG2 GLN B 10 -9.080 5.426 5.401 1.00 0.00 H new ATOM 0 HG3 GLN B 10 -8.042 4.016 5.478 1.00 0.00 H new ATOM 0 HE21 GLN B 10 -9.082 6.582 7.220 1.00 0.00 H new ATOM 0 HE22 GLN B 10 -7.691 6.836 8.278 1.00 0.00 H new ATOM 660 N ALA B 11 -6.168 2.601 4.932 1.00 0.00 N ATOM 661 CA ALA B 11 -5.315 1.834 5.832 1.00 0.00 C ATOM 662 C ALA B 11 -4.284 1.013 5.062 1.00 0.00 C ATOM 663 O ALA B 11 -3.268 0.599 5.619 1.00 0.00 O ATOM 664 CB ALA B 11 -6.161 0.926 6.712 1.00 0.00 C ATOM 0 H ALA B 11 -7.126 2.257 4.864 1.00 0.00 H new ATOM 0 HA ALA B 11 -4.775 2.540 6.462 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -5.512 0.359 7.379 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -6.850 1.530 7.302 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -6.728 0.238 6.085 1.00 0.00 H new ATOM 670 N LEU B 12 -4.548 0.781 3.778 1.00 0.00 N ATOM 671 CA LEU B 12 -3.635 0.011 2.941 1.00 0.00 C ATOM 672 C LEU B 12 -2.619 0.924 2.263 1.00 0.00 C ATOM 673 O LEU B 12 -1.422 0.639 2.248 1.00 0.00 O ATOM 674 CB LEU B 12 -4.406 -0.776 1.873 1.00 0.00 C ATOM 675 CG LEU B 12 -5.804 -1.252 2.279 1.00 0.00 C ATOM 676 CD1 LEU B 12 -6.668 -1.469 1.047 1.00 0.00 C ATOM 677 CD2 LEU B 12 -5.718 -2.530 3.099 1.00 0.00 C ATOM 0 H LEU B 12 -5.384 1.114 3.297 1.00 0.00 H new ATOM 0 HA LEU B 12 -3.107 -0.690 3.588 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -4.499 -0.152 0.984 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -3.814 -1.646 1.591 1.00 0.00 H new ATOM 0 HG LEU B 12 -6.265 -0.480 2.895 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -7.658 -1.807 1.352 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -6.758 -0.533 0.496 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -6.208 -2.223 0.408 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -6.721 -2.852 3.378 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -5.238 -3.310 2.508 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -5.133 -2.346 4.000 1.00 0.00 H new ATOM 689 N LYS B 13 -3.111 2.021 1.695 1.00 0.00 N ATOM 690 CA LYS B 13 -2.255 2.978 1.004 1.00 0.00 C ATOM 691 C LYS B 13 -1.548 3.914 1.985 1.00 0.00 C ATOM 692 O LYS B 13 -0.565 4.563 1.631 1.00 0.00 O ATOM 693 CB LYS B 13 -3.076 3.792 0.002 1.00 0.00 C ATOM 694 CG LYS B 13 -4.279 4.486 0.620 1.00 0.00 C ATOM 695 CD LYS B 13 -4.039 5.980 0.762 1.00 0.00 C ATOM 696 CE LYS B 13 -4.809 6.776 -0.282 1.00 0.00 C ATOM 697 NZ LYS B 13 -3.899 7.436 -1.259 1.00 0.00 N ATOM 0 H LYS B 13 -4.100 2.269 1.700 1.00 0.00 H new ATOM 0 HA LYS B 13 -1.490 2.414 0.471 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -2.432 4.541 -0.458 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -3.418 3.132 -0.795 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -5.159 4.314 0.001 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -4.488 4.054 1.599 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -4.338 6.303 1.759 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -2.973 6.188 0.665 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -5.492 6.113 -0.813 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -5.419 7.531 0.214 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -4.462 7.968 -1.953 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -3.264 8.088 -0.756 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -3.335 6.714 -1.751 1.00 0.00 H new ATOM 711 N ALA B 14 -2.050 3.982 3.214 1.00 0.00 N ATOM 712 CA ALA B 14 -1.456 4.843 4.233 1.00 0.00 C ATOM 713 C ALA B 14 0.013 4.499 4.454 1.00 0.00 C ATOM 714 O ALA B 14 0.885 5.363 4.357 1.00 0.00 O ATOM 715 CB ALA B 14 -2.225 4.726 5.541 1.00 0.00 C ATOM 0 H ALA B 14 -2.864 3.454 3.529 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.515 5.872 3.879 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -1.770 5.374 6.290 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -3.261 5.027 5.382 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -2.196 3.693 5.889 1.00 0.00 H new ATOM 721 N ARG B 15 0.279 3.232 4.755 1.00 0.00 N ATOM 722 CA ARG B 15 1.641 2.772 4.994 1.00 0.00 C ATOM 723 C ARG B 15 2.368 2.502 3.681 1.00 0.00 C ATOM 724 O ARG B 15 3.566 2.752 3.560 1.00 0.00 O ATOM 725 CB ARG B 15 1.628 1.506 5.852 1.00 0.00 C ATOM 726 CG ARG B 15 3.008 1.069 6.316 1.00 0.00 C ATOM 727 CD ARG B 15 3.528 1.959 7.434 1.00 0.00 C ATOM 728 NE ARG B 15 3.462 1.296 8.735 1.00 0.00 N ATOM 729 CZ ARG B 15 4.344 0.390 9.150 1.00 0.00 C ATOM 730 NH1 ARG B 15 5.359 0.037 8.373 1.00 0.00 N ATOM 731 NH2 ARG B 15 4.210 -0.165 10.347 1.00 0.00 N ATOM 0 H ARG B 15 -0.432 2.505 4.839 1.00 0.00 H new ATOM 0 HA ARG B 15 2.175 3.560 5.525 1.00 0.00 H new ATOM 0 HB2 ARG B 15 0.998 1.676 6.725 1.00 0.00 H new ATOM 0 HB3 ARG B 15 1.172 0.696 5.282 1.00 0.00 H new ATOM 0 HG2 ARG B 15 2.967 0.036 6.661 1.00 0.00 H new ATOM 0 HG3 ARG B 15 3.701 1.097 5.475 1.00 0.00 H new ATOM 0 HD2 ARG B 15 4.559 2.242 7.223 1.00 0.00 H new ATOM 0 HD3 ARG B 15 2.945 2.880 7.466 1.00 0.00 H new ATOM 0 HE ARG B 15 2.695 1.542 9.361 1.00 0.00 H new ATOM 0 HH11 ARG B 15 5.467 0.461 7.451 1.00 0.00 H new ATOM 0 HH12 ARG B 15 6.032 -0.658 8.697 1.00 0.00 H new ATOM 0 HH21 ARG B 15 3.431 0.103 10.949 1.00 0.00 H new ATOM 0 HH22 ARG B 15 4.886 -0.859 10.666 1.00 0.00 H new ATOM 745 N ASN B 16 1.633 1.987 2.699 1.00 0.00 N ATOM 746 CA ASN B 16 2.209 1.679 1.395 1.00 0.00 C ATOM 747 C ASN B 16 2.724 2.941 0.711 1.00 0.00 C ATOM 748 O ASN B 16 3.779 2.926 0.078 1.00 0.00 O ATOM 749 CB ASN B 16 1.168 0.986 0.511 1.00 0.00 C ATOM 750 CG ASN B 16 1.669 0.737 -0.899 1.00 0.00 C ATOM 751 OD1 ASN B 16 2.836 0.407 -1.106 1.00 0.00 O ATOM 752 ND2 ASN B 16 0.785 0.896 -1.878 1.00 0.00 N ATOM 0 H ASN B 16 0.639 1.775 2.782 1.00 0.00 H new ATOM 0 HA ASN B 16 3.054 1.007 1.546 1.00 0.00 H new ATOM 0 HB2 ASN B 16 0.887 0.036 0.965 1.00 0.00 H new ATOM 0 HB3 ASN B 16 0.267 1.599 0.469 1.00 0.00 H new ATOM 0 HD21 ASN B 16 1.064 0.743 -2.847 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -0.173 1.171 -1.661 1.00 0.00 H new ATOM 759 N TYR B 17 1.975 4.032 0.839 1.00 0.00 N ATOM 760 CA TYR B 17 2.364 5.299 0.228 1.00 0.00 C ATOM 761 C TYR B 17 3.783 5.686 0.630 1.00 0.00 C ATOM 762 O TYR B 17 4.537 6.243 -0.169 1.00 0.00 O ATOM 763 CB TYR B 17 1.389 6.409 0.629 1.00 0.00 C ATOM 764 CG TYR B 17 1.747 7.761 0.054 1.00 0.00 C ATOM 765 CD1 TYR B 17 1.685 7.994 -1.314 1.00 0.00 C ATOM 766 CD2 TYR B 17 2.152 8.803 0.880 1.00 0.00 C ATOM 767 CE1 TYR B 17 2.015 9.227 -1.843 1.00 0.00 C ATOM 768 CE2 TYR B 17 2.483 10.038 0.357 1.00 0.00 C ATOM 769 CZ TYR B 17 2.413 10.245 -1.004 1.00 0.00 C ATOM 770 OH TYR B 17 2.743 11.474 -1.527 1.00 0.00 O ATOM 0 H TYR B 17 1.098 4.065 1.359 1.00 0.00 H new ATOM 0 HA TYR B 17 2.333 5.172 -0.854 1.00 0.00 H new ATOM 0 HB2 TYR B 17 0.386 6.137 0.301 1.00 0.00 H new ATOM 0 HB3 TYR B 17 1.360 6.481 1.716 1.00 0.00 H new ATOM 0 HD1 TYR B 17 1.374 7.198 -1.975 1.00 0.00 H new ATOM 0 HD2 TYR B 17 2.209 8.645 1.947 1.00 0.00 H new ATOM 0 HE1 TYR B 17 1.961 9.392 -2.909 1.00 0.00 H new ATOM 0 HE2 TYR B 17 2.795 10.838 1.012 1.00 0.00 H new ATOM 0 HH TYR B 17 3.001 12.080 -0.801 1.00 0.00 H new ATOM 780 N ALA B 18 4.143 5.388 1.873 1.00 0.00 N ATOM 781 CA ALA B 18 5.471 5.704 2.379 1.00 0.00 C ATOM 782 C ALA B 18 6.526 4.805 1.748 1.00 0.00 C ATOM 783 O ALA B 18 7.575 5.277 1.311 1.00 0.00 O ATOM 784 CB ALA B 18 5.505 5.581 3.895 1.00 0.00 C ATOM 0 H ALA B 18 3.533 4.928 2.548 1.00 0.00 H new ATOM 0 HA ALA B 18 5.700 6.734 2.107 1.00 0.00 H new ATOM 0 HB1 ALA B 18 6.505 5.821 4.257 1.00 0.00 H new ATOM 0 HB2 ALA B 18 4.785 6.273 4.332 1.00 0.00 H new ATOM 0 HB3 ALA B 18 5.249 4.561 4.183 1.00 0.00 H new ATOM 790 N LEU B 19 6.241 3.508 1.693 1.00 0.00 N ATOM 791 CA LEU B 19 7.176 2.558 1.102 1.00 0.00 C ATOM 792 C LEU B 19 7.329 2.833 -0.386 1.00 0.00 C ATOM 793 O LEU B 19 8.431 3.057 -0.874 1.00 0.00 O ATOM 794 CB LEU B 19 6.716 1.111 1.315 1.00 0.00 C ATOM 795 CG LEU B 19 5.900 0.854 2.584 1.00 0.00 C ATOM 796 CD1 LEU B 19 5.636 -0.634 2.754 1.00 0.00 C ATOM 797 CD2 LEU B 19 6.617 1.410 3.806 1.00 0.00 C ATOM 0 H LEU B 19 5.379 3.094 2.047 1.00 0.00 H new ATOM 0 HA LEU B 19 8.138 2.685 1.599 1.00 0.00 H new ATOM 0 HB2 LEU B 19 6.120 0.808 0.454 1.00 0.00 H new ATOM 0 HB3 LEU B 19 7.596 0.469 1.335 1.00 0.00 H new ATOM 0 HG LEU B 19 4.943 1.367 2.486 1.00 0.00 H new ATOM 0 HD11 LEU B 19 5.055 -0.799 3.661 1.00 0.00 H new ATOM 0 HD12 LEU B 19 5.079 -1.005 1.894 1.00 0.00 H new ATOM 0 HD13 LEU B 19 6.585 -1.166 2.829 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.020 1.217 4.697 1.00 0.00 H new ATOM 0 HD22 LEU B 19 7.589 0.927 3.909 1.00 0.00 H new ATOM 0 HD23 LEU B 19 6.756 2.485 3.689 1.00 0.00 H new ATOM 809 N LYS B 20 6.210 2.827 -1.104 1.00 0.00 N ATOM 810 CA LYS B 20 6.211 3.083 -2.545 1.00 0.00 C ATOM 811 C LYS B 20 7.145 4.238 -2.908 1.00 0.00 C ATOM 812 O LYS B 20 7.693 4.283 -4.010 1.00 0.00 O ATOM 813 CB LYS B 20 4.793 3.399 -3.021 1.00 0.00 C ATOM 814 CG LYS B 20 4.439 2.754 -4.352 1.00 0.00 C ATOM 815 CD LYS B 20 3.051 2.130 -4.322 1.00 0.00 C ATOM 816 CE LYS B 20 2.179 2.653 -5.452 1.00 0.00 C ATOM 817 NZ LYS B 20 1.344 3.808 -5.022 1.00 0.00 N ATOM 0 H LYS B 20 5.286 2.647 -0.712 1.00 0.00 H new ATOM 0 HA LYS B 20 6.574 2.184 -3.043 1.00 0.00 H new ATOM 0 HB2 LYS B 20 4.082 3.065 -2.265 1.00 0.00 H new ATOM 0 HB3 LYS B 20 4.681 4.480 -3.109 1.00 0.00 H new ATOM 0 HG2 LYS B 20 4.485 3.503 -5.143 1.00 0.00 H new ATOM 0 HG3 LYS B 20 5.177 1.989 -4.594 1.00 0.00 H new ATOM 0 HD2 LYS B 20 3.137 1.046 -4.399 1.00 0.00 H new ATOM 0 HD3 LYS B 20 2.575 2.345 -3.365 1.00 0.00 H new ATOM 0 HE2 LYS B 20 2.810 2.953 -6.288 1.00 0.00 H new ATOM 0 HE3 LYS B 20 1.533 1.852 -5.812 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 0.765 4.134 -5.822 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 0.723 3.516 -4.241 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 1.961 4.582 -4.703 1.00 0.00 H new ATOM 831 N GLN B 21 7.315 5.171 -1.977 1.00 0.00 N ATOM 832 CA GLN B 21 8.173 6.327 -2.199 1.00 0.00 C ATOM 833 C GLN B 21 9.645 5.994 -1.947 1.00 0.00 C ATOM 834 O GLN B 21 10.522 6.435 -2.690 1.00 0.00 O ATOM 835 CB GLN B 21 7.731 7.485 -1.298 1.00 0.00 C ATOM 836 CG GLN B 21 8.657 8.690 -1.345 1.00 0.00 C ATOM 837 CD GLN B 21 7.990 9.955 -0.840 1.00 0.00 C ATOM 838 OE1 GLN B 21 7.223 9.926 0.121 1.00 0.00 O ATOM 839 NE2 GLN B 21 8.282 11.077 -1.489 1.00 0.00 N ATOM 0 H GLN B 21 6.869 5.148 -1.060 1.00 0.00 H new ATOM 0 HA GLN B 21 8.075 6.622 -3.244 1.00 0.00 H new ATOM 0 HB2 GLN B 21 6.729 7.798 -1.590 1.00 0.00 H new ATOM 0 HB3 GLN B 21 7.667 7.128 -0.270 1.00 0.00 H new ATOM 0 HG2 GLN B 21 9.544 8.486 -0.745 1.00 0.00 H new ATOM 0 HG3 GLN B 21 8.994 8.845 -2.370 1.00 0.00 H new ATOM 0 HE21 GLN B 21 8.924 11.056 -2.281 1.00 0.00 H new ATOM 0 HE22 GLN B 21 7.864 11.960 -1.195 1.00 0.00 H new ATOM 848 N LYS B 22 9.914 5.227 -0.892 1.00 0.00 N ATOM 849 CA LYS B 22 11.287 4.858 -0.548 1.00 0.00 C ATOM 850 C LYS B 22 11.714 3.555 -1.224 1.00 0.00 C ATOM 851 O LYS B 22 12.879 3.393 -1.585 1.00 0.00 O ATOM 852 CB LYS B 22 11.438 4.730 0.969 1.00 0.00 C ATOM 853 CG LYS B 22 10.435 3.780 1.605 1.00 0.00 C ATOM 854 CD LYS B 22 11.127 2.657 2.360 1.00 0.00 C ATOM 855 CE LYS B 22 11.785 3.164 3.631 1.00 0.00 C ATOM 856 NZ LYS B 22 10.826 3.223 4.769 1.00 0.00 N ATOM 0 H LYS B 22 9.204 4.851 -0.263 1.00 0.00 H new ATOM 0 HA LYS B 22 11.938 5.652 -0.913 1.00 0.00 H new ATOM 0 HB2 LYS B 22 12.447 4.385 1.197 1.00 0.00 H new ATOM 0 HB3 LYS B 22 11.328 5.716 1.421 1.00 0.00 H new ATOM 0 HG2 LYS B 22 9.790 4.334 2.287 1.00 0.00 H new ATOM 0 HG3 LYS B 22 9.793 3.358 0.832 1.00 0.00 H new ATOM 0 HD2 LYS B 22 10.401 1.883 2.609 1.00 0.00 H new ATOM 0 HD3 LYS B 22 11.878 2.195 1.719 1.00 0.00 H new ATOM 0 HE2 LYS B 22 12.619 2.512 3.893 1.00 0.00 H new ATOM 0 HE3 LYS B 22 12.199 4.156 3.454 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 11.315 3.574 5.617 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 10.043 3.865 4.530 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 10.449 2.272 4.955 1.00 0.00 H new ATOM 870 N VAL B 23 10.765 2.630 -1.382 1.00 0.00 N ATOM 871 CA VAL B 23 11.031 1.330 -2.007 1.00 0.00 C ATOM 872 C VAL B 23 12.074 1.438 -3.118 1.00 0.00 C ATOM 873 O VAL B 23 13.103 0.763 -3.083 1.00 0.00 O ATOM 874 CB VAL B 23 9.738 0.710 -2.583 1.00 0.00 C ATOM 875 CG1 VAL B 23 10.043 -0.564 -3.361 1.00 0.00 C ATOM 876 CG2 VAL B 23 8.737 0.431 -1.472 1.00 0.00 C ATOM 0 H VAL B 23 9.798 2.758 -1.084 1.00 0.00 H new ATOM 0 HA VAL B 23 11.422 0.683 -1.222 1.00 0.00 H new ATOM 0 HB VAL B 23 9.297 1.430 -3.273 1.00 0.00 H new ATOM 0 HG11 VAL B 23 9.116 -0.980 -3.756 1.00 0.00 H new ATOM 0 HG12 VAL B 23 10.718 -0.334 -4.186 1.00 0.00 H new ATOM 0 HG13 VAL B 23 10.514 -1.291 -2.699 1.00 0.00 H new ATOM 0 HG21 VAL B 23 7.833 -0.005 -1.898 1.00 0.00 H new ATOM 0 HG22 VAL B 23 9.173 -0.265 -0.756 1.00 0.00 H new ATOM 0 HG23 VAL B 23 8.486 1.363 -0.966 1.00 0.00 H new ATOM 886 N GLN B 24 11.803 2.293 -4.097 1.00 0.00 N ATOM 887 CA GLN B 24 12.721 2.490 -5.210 1.00 0.00 C ATOM 888 C GLN B 24 14.000 3.169 -4.735 1.00 0.00 C ATOM 889 O GLN B 24 15.100 2.789 -5.133 1.00 0.00 O ATOM 890 CB GLN B 24 12.065 3.325 -6.311 1.00 0.00 C ATOM 891 CG GLN B 24 10.629 2.925 -6.611 1.00 0.00 C ATOM 892 CD GLN B 24 10.508 1.484 -7.065 1.00 0.00 C ATOM 893 OE1 GLN B 24 11.330 0.993 -7.838 1.00 0.00 O ATOM 894 NE2 GLN B 24 9.478 0.797 -6.585 1.00 0.00 N ATOM 0 H GLN B 24 10.956 2.860 -4.142 1.00 0.00 H new ATOM 0 HA GLN B 24 12.973 1.511 -5.617 1.00 0.00 H new ATOM 0 HB2 GLN B 24 12.087 4.375 -6.019 1.00 0.00 H new ATOM 0 HB3 GLN B 24 12.655 3.235 -7.223 1.00 0.00 H new ATOM 0 HG2 GLN B 24 10.021 3.073 -5.719 1.00 0.00 H new ATOM 0 HG3 GLN B 24 10.227 3.580 -7.384 1.00 0.00 H new ATOM 0 HE21 GLN B 24 8.820 1.244 -5.946 1.00 0.00 H new ATOM 0 HE22 GLN B 24 9.345 -0.178 -6.855 1.00 0.00 H new ATOM 903 N ALA B 25 13.847 4.174 -3.878 1.00 0.00 N ATOM 904 CA ALA B 25 14.989 4.905 -3.345 1.00 0.00 C ATOM 905 C ALA B 25 15.987 3.959 -2.685 1.00 0.00 C ATOM 906 O ALA B 25 17.194 4.199 -2.707 1.00 0.00 O ATOM 907 CB ALA B 25 14.523 5.958 -2.351 1.00 0.00 C ATOM 0 H ALA B 25 12.942 4.500 -3.538 1.00 0.00 H new ATOM 0 HA ALA B 25 15.492 5.401 -4.176 1.00 0.00 H new ATOM 0 HB1 ALA B 25 15.386 6.497 -1.960 1.00 0.00 H new ATOM 0 HB2 ALA B 25 13.853 6.658 -2.850 1.00 0.00 H new ATOM 0 HB3 ALA B 25 13.995 5.474 -1.529 1.00 0.00 H new ATOM 913 N LEU B 26 15.473 2.881 -2.101 1.00 0.00 N ATOM 914 CA LEU B 26 16.318 1.894 -1.437 1.00 0.00 C ATOM 915 C LEU B 26 17.087 1.064 -2.460 1.00 0.00 C ATOM 916 O LEU B 26 18.317 1.091 -2.500 1.00 0.00 O ATOM 917 CB LEU B 26 15.472 0.974 -0.555 1.00 0.00 C ATOM 918 CG LEU B 26 14.634 1.681 0.512 1.00 0.00 C ATOM 919 CD1 LEU B 26 13.821 0.673 1.306 1.00 0.00 C ATOM 920 CD2 LEU B 26 15.525 2.496 1.435 1.00 0.00 C ATOM 0 H LEU B 26 14.476 2.669 -2.074 1.00 0.00 H new ATOM 0 HA LEU B 26 17.033 2.428 -0.812 1.00 0.00 H new ATOM 0 HB2 LEU B 26 14.804 0.398 -1.195 1.00 0.00 H new ATOM 0 HB3 LEU B 26 16.133 0.262 -0.061 1.00 0.00 H new ATOM 0 HG LEU B 26 13.943 2.361 0.013 1.00 0.00 H new ATOM 0 HD11 LEU B 26 13.231 1.194 2.060 1.00 0.00 H new ATOM 0 HD12 LEU B 26 13.154 0.133 0.634 1.00 0.00 H new ATOM 0 HD13 LEU B 26 14.493 -0.032 1.795 1.00 0.00 H new ATOM 0 HD21 LEU B 26 14.912 2.992 2.188 1.00 0.00 H new ATOM 0 HD22 LEU B 26 16.240 1.836 1.926 1.00 0.00 H new ATOM 0 HD23 LEU B 26 16.063 3.245 0.854 1.00 0.00 H new ATOM 932 N ARG B 27 16.349 0.322 -3.281 1.00 0.00 N ATOM 933 CA ARG B 27 16.956 -0.526 -4.304 1.00 0.00 C ATOM 934 C ARG B 27 17.913 0.268 -5.191 1.00 0.00 C ATOM 935 O ARG B 27 18.908 -0.269 -5.677 1.00 0.00 O ATOM 936 CB ARG B 27 15.872 -1.186 -5.160 1.00 0.00 C ATOM 937 CG ARG B 27 14.780 -0.237 -5.623 1.00 0.00 C ATOM 938 CD ARG B 27 13.420 -0.916 -5.630 1.00 0.00 C ATOM 939 NE ARG B 27 12.823 -0.940 -6.964 1.00 0.00 N ATOM 940 CZ ARG B 27 11.843 -1.766 -7.324 1.00 0.00 C ATOM 941 NH1 ARG B 27 11.344 -2.635 -6.452 1.00 0.00 N ATOM 942 NH2 ARG B 27 11.360 -1.722 -8.557 1.00 0.00 N ATOM 0 H ARG B 27 15.330 0.290 -3.258 1.00 0.00 H new ATOM 0 HA ARG B 27 17.531 -1.300 -3.796 1.00 0.00 H new ATOM 0 HB2 ARG B 27 16.340 -1.637 -6.035 1.00 0.00 H new ATOM 0 HB3 ARG B 27 15.417 -1.995 -4.589 1.00 0.00 H new ATOM 0 HG2 ARG B 27 14.750 0.633 -4.967 1.00 0.00 H new ATOM 0 HG3 ARG B 27 15.012 0.126 -6.624 1.00 0.00 H new ATOM 0 HD2 ARG B 27 13.523 -1.937 -5.261 1.00 0.00 H new ATOM 0 HD3 ARG B 27 12.752 -0.395 -4.944 1.00 0.00 H new ATOM 0 HE ARG B 27 13.178 -0.285 -7.660 1.00 0.00 H new ATOM 0 HH11 ARG B 27 11.712 -2.672 -5.501 1.00 0.00 H new ATOM 0 HH12 ARG B 27 10.593 -3.266 -6.733 1.00 0.00 H new ATOM 0 HH21 ARG B 27 11.739 -1.056 -9.230 1.00 0.00 H new ATOM 0 HH22 ARG B 27 10.609 -2.355 -8.833 1.00 0.00 H new