USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 514 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 799 ASN : amide:sc= -2.11 K(o=-1.1,f=-4.1!) USER MOD Set 1.2: A 803 SER OG : rot -53:sc= 1 USER MOD Set 2.1: A 782 THR OG1 : rot -74:sc= 1.17 USER MOD Set 2.2: A 819 GLN : amide:sc= -2.28! X(o=-2.6!,f=-3.1) USER MOD Set 2.3: A 850 ASN : amide:sc= -1.47! C(o=-2.6!,f=-7.1!) USER MOD Single : A 787 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 790 ASN : amide:sc= -1.51 K(o=-1.5,f=0.13) USER MOD Single : A 796 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD Single : A 801 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 814 THR OG1 : rot 180:sc= 0 USER MOD Single : A 815 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 817 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 818 TYR OH : rot 180:sc= 0 USER MOD Single : A 830 SER OG : rot -40:sc= 0.0832 USER MOD Single : A 835 ASN : amide:sc= -0.789 X(o=-0.79,f=-1.3) USER MOD Single : A 838 LYS NZ :NH3+ 152:sc= 0.533 (180deg=0.149) USER MOD Single : A 840 MET CE :methyl -153:sc= -0.618 (180deg=-0.764) USER MOD Single : A 844 ASN : amide:sc= -0.658 X(o=-0.66,f=-0.65) USER MOD Single : A 845 ASN : amide:sc= -0.261 K(o=-0.26,f=-2.9!) USER MOD Single : A 847 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N ILE A 780 -5.604 3.991 3.914 1.00 0.79 N ATOM 56 CA ILE A 780 -5.181 2.623 3.638 1.00 0.51 C ATOM 57 C ILE A 780 -4.745 2.467 2.185 1.00 0.46 C ATOM 58 O ILE A 780 -4.683 3.444 1.438 1.00 0.53 O ATOM 59 CB ILE A 780 -6.300 1.603 3.936 1.00 0.43 C ATOM 60 CG1 ILE A 780 -7.456 2.270 4.684 1.00 0.64 C ATOM 61 CG2 ILE A 780 -5.746 0.439 4.740 1.00 0.58 C ATOM 62 CD1 ILE A 780 -8.689 1.397 4.793 1.00 1.22 C ATOM 0 HA ILE A 780 -4.337 2.421 4.298 1.00 0.51 H new ATOM 0 HB ILE A 780 -6.684 1.223 2.989 1.00 0.43 H new ATOM 0 HG12 ILE A 780 -7.122 2.540 5.686 1.00 0.64 H new ATOM 0 HG13 ILE A 780 -7.721 3.197 4.175 1.00 0.64 H new ATOM 0 HG21 ILE A 780 -6.544 -0.275 4.945 1.00 0.58 H new ATOM 0 HG22 ILE A 780 -4.957 -0.053 4.172 1.00 0.58 H new ATOM 0 HG23 ILE A 780 -5.339 0.808 5.681 1.00 0.58 H new ATOM 0 HD11 ILE A 780 -9.468 1.933 5.335 1.00 1.22 H new ATOM 0 HD12 ILE A 780 -9.048 1.148 3.794 1.00 1.22 H new ATOM 0 HD13 ILE A 780 -8.440 0.481 5.328 1.00 1.22 H new ATOM 74 N PHE A 781 -4.451 1.231 1.791 1.00 0.39 N ATOM 75 CA PHE A 781 -4.027 0.939 0.433 1.00 0.36 C ATOM 76 C PHE A 781 -4.486 -0.459 0.047 1.00 0.30 C ATOM 77 O PHE A 781 -3.779 -1.439 0.260 1.00 0.35 O ATOM 78 CB PHE A 781 -2.503 1.054 0.314 1.00 0.41 C ATOM 79 CG PHE A 781 -2.034 2.037 -0.727 1.00 0.45 C ATOM 80 CD1 PHE A 781 -2.751 3.195 -0.990 1.00 0.73 C ATOM 81 CD2 PHE A 781 -0.866 1.802 -1.439 1.00 0.81 C ATOM 82 CE1 PHE A 781 -2.316 4.096 -1.944 1.00 0.80 C ATOM 83 CE2 PHE A 781 -0.427 2.699 -2.394 1.00 0.94 C ATOM 84 CZ PHE A 781 -1.152 3.848 -2.645 1.00 0.73 C ATOM 0 H PHE A 781 -4.500 0.414 2.400 1.00 0.39 H new ATOM 0 HA PHE A 781 -4.478 1.663 -0.246 1.00 0.36 H new ATOM 0 HB2 PHE A 781 -2.096 1.346 1.282 1.00 0.41 H new ATOM 0 HB3 PHE A 781 -2.094 0.071 0.079 1.00 0.41 H new ATOM 0 HD1 PHE A 781 -3.660 3.395 -0.443 1.00 0.73 H new ATOM 0 HD2 PHE A 781 -0.293 0.907 -1.244 1.00 0.81 H new ATOM 0 HE1 PHE A 781 -2.885 4.992 -2.141 1.00 0.80 H new ATOM 0 HE2 PHE A 781 0.482 2.502 -2.944 1.00 0.94 H new ATOM 0 HZ PHE A 781 -0.809 4.552 -3.389 1.00 0.73 H new ATOM 94 N THR A 782 -5.687 -0.542 -0.505 1.00 0.28 N ATOM 95 CA THR A 782 -6.256 -1.823 -0.899 1.00 0.29 C ATOM 96 C THR A 782 -6.049 -2.088 -2.384 1.00 0.35 C ATOM 97 O THR A 782 -6.757 -1.544 -3.232 1.00 0.52 O ATOM 98 CB THR A 782 -7.762 -1.887 -0.584 1.00 0.41 C ATOM 99 OG1 THR A 782 -8.150 -0.743 0.185 1.00 0.67 O ATOM 100 CG2 THR A 782 -8.102 -3.158 0.180 1.00 0.44 C ATOM 0 H THR A 782 -6.287 0.262 -0.690 1.00 0.28 H new ATOM 0 HA THR A 782 -5.736 -2.588 -0.323 1.00 0.29 H new ATOM 0 HB THR A 782 -8.308 -1.893 -1.527 1.00 0.41 H new ATOM 0 HG1 THR A 782 -7.830 -0.844 1.106 1.00 0.67 H new ATOM 0 HG21 THR A 782 -9.171 -3.181 0.391 1.00 0.44 H new ATOM 0 HG22 THR A 782 -7.832 -4.027 -0.421 1.00 0.44 H new ATOM 0 HG23 THR A 782 -7.547 -3.178 1.118 1.00 0.44 H new ATOM 108 N LEU A 783 -5.070 -2.936 -2.684 1.00 0.40 N ATOM 109 CA LEU A 783 -4.756 -3.291 -4.061 1.00 0.56 C ATOM 110 C LEU A 783 -5.567 -4.497 -4.501 1.00 0.58 C ATOM 111 O LEU A 783 -6.390 -5.016 -3.748 1.00 0.99 O ATOM 112 CB LEU A 783 -3.264 -3.619 -4.205 1.00 0.67 C ATOM 113 CG LEU A 783 -2.351 -2.426 -4.505 1.00 0.94 C ATOM 114 CD1 LEU A 783 -2.560 -1.315 -3.490 1.00 1.57 C ATOM 115 CD2 LEU A 783 -0.897 -2.872 -4.519 1.00 1.53 C ATOM 0 H LEU A 783 -4.479 -3.391 -1.988 1.00 0.40 H new ATOM 0 HA LEU A 783 -5.005 -2.436 -4.690 1.00 0.56 H new ATOM 0 HB2 LEU A 783 -2.924 -4.092 -3.284 1.00 0.67 H new ATOM 0 HB3 LEU A 783 -3.147 -4.353 -5.002 1.00 0.67 H new ATOM 0 HG LEU A 783 -2.607 -2.034 -5.489 1.00 0.94 H new ATOM 0 HD11 LEU A 783 -1.901 -0.479 -3.724 1.00 1.57 H new ATOM 0 HD12 LEU A 783 -3.597 -0.980 -3.525 1.00 1.57 H new ATOM 0 HD13 LEU A 783 -2.333 -1.687 -2.491 1.00 1.57 H new ATOM 0 HD21 LEU A 783 -0.256 -2.017 -4.733 1.00 1.53 H new ATOM 0 HD22 LEU A 783 -0.635 -3.288 -3.546 1.00 1.53 H new ATOM 0 HD23 LEU A 783 -0.757 -3.632 -5.288 1.00 1.53 H new ATOM 127 N LEU A 784 -5.307 -4.955 -5.716 1.00 0.27 N ATOM 128 CA LEU A 784 -5.989 -6.122 -6.248 1.00 0.26 C ATOM 129 C LEU A 784 -5.006 -7.276 -6.364 1.00 0.23 C ATOM 130 O LEU A 784 -4.267 -7.390 -7.342 1.00 0.29 O ATOM 131 CB LEU A 784 -6.625 -5.812 -7.594 1.00 0.31 C ATOM 132 CG LEU A 784 -6.988 -7.031 -8.447 1.00 0.51 C ATOM 133 CD1 LEU A 784 -8.461 -7.373 -8.286 1.00 0.81 C ATOM 134 CD2 LEU A 784 -6.652 -6.778 -9.908 1.00 0.75 C ATOM 0 H LEU A 784 -4.628 -4.535 -6.351 1.00 0.27 H new ATOM 0 HA LEU A 784 -6.790 -6.407 -5.565 1.00 0.26 H new ATOM 0 HB2 LEU A 784 -7.529 -5.227 -7.423 1.00 0.31 H new ATOM 0 HB3 LEU A 784 -5.941 -5.182 -8.163 1.00 0.31 H new ATOM 0 HG LEU A 784 -6.399 -7.881 -8.103 1.00 0.51 H new ATOM 0 HD11 LEU A 784 -8.702 -8.242 -8.899 1.00 0.81 H new ATOM 0 HD12 LEU A 784 -8.670 -7.598 -7.240 1.00 0.81 H new ATOM 0 HD13 LEU A 784 -9.068 -6.525 -8.603 1.00 0.81 H new ATOM 0 HD21 LEU A 784 -6.917 -7.655 -10.499 1.00 0.75 H new ATOM 0 HD22 LEU A 784 -7.214 -5.915 -10.266 1.00 0.75 H new ATOM 0 HD23 LEU A 784 -5.584 -6.582 -10.007 1.00 0.75 H new ATOM 146 N VAL A 785 -4.990 -8.112 -5.338 1.00 0.25 N ATOM 147 CA VAL A 785 -4.084 -9.249 -5.291 1.00 0.30 C ATOM 148 C VAL A 785 -4.733 -10.510 -5.851 1.00 0.34 C ATOM 149 O VAL A 785 -5.937 -10.721 -5.707 1.00 0.55 O ATOM 150 CB VAL A 785 -3.616 -9.516 -3.847 1.00 0.39 C ATOM 151 CG1 VAL A 785 -2.705 -10.734 -3.793 1.00 1.11 C ATOM 152 CG2 VAL A 785 -2.914 -8.289 -3.278 1.00 1.18 C ATOM 0 H VAL A 785 -5.597 -8.024 -4.523 1.00 0.25 H new ATOM 0 HA VAL A 785 -3.224 -8.997 -5.911 1.00 0.30 H new ATOM 0 HB VAL A 785 -4.493 -9.723 -3.234 1.00 0.39 H new ATOM 0 HG11 VAL A 785 -2.386 -10.905 -2.765 1.00 1.11 H new ATOM 0 HG12 VAL A 785 -3.245 -11.609 -4.155 1.00 1.11 H new ATOM 0 HG13 VAL A 785 -1.830 -10.562 -4.420 1.00 1.11 H new ATOM 0 HG21 VAL A 785 -2.590 -8.495 -2.258 1.00 1.18 H new ATOM 0 HG22 VAL A 785 -2.046 -8.049 -3.892 1.00 1.18 H new ATOM 0 HG23 VAL A 785 -3.603 -7.444 -3.276 1.00 1.18 H new ATOM 162 N GLU A 786 -3.919 -11.347 -6.485 1.00 0.38 N ATOM 163 CA GLU A 786 -4.395 -12.596 -7.067 1.00 0.42 C ATOM 164 C GLU A 786 -4.027 -13.780 -6.175 1.00 0.46 C ATOM 165 O GLU A 786 -3.272 -13.631 -5.215 1.00 0.48 O ATOM 166 CB GLU A 786 -3.800 -12.784 -8.464 1.00 0.43 C ATOM 167 CG GLU A 786 -4.832 -13.124 -9.526 1.00 0.56 C ATOM 168 CD GLU A 786 -4.836 -12.131 -10.671 1.00 0.75 C ATOM 169 OE1 GLU A 786 -5.273 -10.981 -10.459 1.00 1.40 O ATOM 170 OE2 GLU A 786 -4.401 -12.503 -11.782 1.00 1.02 O ATOM 0 H GLU A 786 -2.920 -11.181 -6.609 1.00 0.38 H new ATOM 0 HA GLU A 786 -5.481 -12.549 -7.147 1.00 0.42 H new ATOM 0 HB2 GLU A 786 -3.280 -11.871 -8.754 1.00 0.43 H new ATOM 0 HB3 GLU A 786 -3.054 -13.578 -8.428 1.00 0.43 H new ATOM 0 HG2 GLU A 786 -4.632 -14.122 -9.916 1.00 0.56 H new ATOM 0 HG3 GLU A 786 -5.822 -13.152 -9.070 1.00 0.56 H new ATOM 177 N LYS A 787 -4.562 -14.953 -6.499 1.00 0.51 N ATOM 178 CA LYS A 787 -4.286 -16.160 -5.727 1.00 0.57 C ATOM 179 C LYS A 787 -2.998 -16.827 -6.203 1.00 0.60 C ATOM 180 O LYS A 787 -2.984 -18.012 -6.535 1.00 1.07 O ATOM 181 CB LYS A 787 -5.454 -17.142 -5.836 1.00 0.64 C ATOM 182 CG LYS A 787 -6.809 -16.513 -5.560 1.00 1.29 C ATOM 183 CD LYS A 787 -7.617 -16.347 -6.835 1.00 1.49 C ATOM 184 CE LYS A 787 -9.087 -16.661 -6.610 1.00 2.24 C ATOM 185 NZ LYS A 787 -9.368 -18.118 -6.731 1.00 2.85 N ATOM 0 H LYS A 787 -5.189 -15.094 -7.291 1.00 0.51 H new ATOM 0 HA LYS A 787 -4.161 -15.872 -4.683 1.00 0.57 H new ATOM 0 HB2 LYS A 787 -5.461 -17.575 -6.836 1.00 0.64 H new ATOM 0 HB3 LYS A 787 -5.294 -17.962 -5.135 1.00 0.64 H new ATOM 0 HG2 LYS A 787 -7.363 -17.134 -4.856 1.00 1.29 H new ATOM 0 HG3 LYS A 787 -6.670 -15.541 -5.087 1.00 1.29 H new ATOM 0 HD2 LYS A 787 -7.514 -15.325 -7.201 1.00 1.49 H new ATOM 0 HD3 LYS A 787 -7.218 -17.004 -7.608 1.00 1.49 H new ATOM 0 HE2 LYS A 787 -9.385 -16.315 -5.620 1.00 2.24 H new ATOM 0 HE3 LYS A 787 -9.690 -16.113 -7.334 1.00 2.24 H new ATOM 0 HZ1 LYS A 787 -10.381 -18.291 -6.571 1.00 2.85 H new ATOM 0 HZ2 LYS A 787 -9.108 -18.444 -7.684 1.00 2.85 H new ATOM 0 HZ3 LYS A 787 -8.812 -18.639 -6.023 1.00 2.85 H new ATOM 199 N VAL A 788 -1.920 -16.052 -6.238 1.00 0.29 N ATOM 200 CA VAL A 788 -0.624 -16.557 -6.677 1.00 0.29 C ATOM 201 C VAL A 788 0.501 -15.619 -6.243 1.00 0.26 C ATOM 202 O VAL A 788 1.659 -16.024 -6.133 1.00 0.29 O ATOM 203 CB VAL A 788 -0.587 -16.725 -8.213 1.00 0.32 C ATOM 204 CG1 VAL A 788 -1.069 -15.458 -8.900 1.00 0.31 C ATOM 205 CG2 VAL A 788 0.810 -17.097 -8.688 1.00 0.33 C ATOM 0 H VAL A 788 -1.918 -15.069 -5.967 1.00 0.29 H new ATOM 0 HA VAL A 788 -0.477 -17.531 -6.210 1.00 0.29 H new ATOM 0 HB VAL A 788 -1.260 -17.539 -8.481 1.00 0.32 H new ATOM 0 HG11 VAL A 788 -1.036 -15.595 -9.981 1.00 0.31 H new ATOM 0 HG12 VAL A 788 -2.093 -15.244 -8.592 1.00 0.31 H new ATOM 0 HG13 VAL A 788 -0.425 -14.625 -8.620 1.00 0.31 H new ATOM 0 HG21 VAL A 788 0.808 -17.209 -9.772 1.00 0.33 H new ATOM 0 HG22 VAL A 788 1.511 -16.312 -8.406 1.00 0.33 H new ATOM 0 HG23 VAL A 788 1.113 -18.037 -8.227 1.00 0.33 H new ATOM 215 N TRP A 789 0.145 -14.362 -6.005 1.00 0.21 N ATOM 216 CA TRP A 789 1.113 -13.353 -5.594 1.00 0.18 C ATOM 217 C TRP A 789 1.853 -13.752 -4.325 1.00 0.18 C ATOM 218 O TRP A 789 1.240 -14.093 -3.315 1.00 0.19 O ATOM 219 CB TRP A 789 0.414 -12.014 -5.363 1.00 0.18 C ATOM 220 CG TRP A 789 0.027 -11.331 -6.635 1.00 0.20 C ATOM 221 CD1 TRP A 789 -0.004 -11.881 -7.883 1.00 0.22 C ATOM 222 CD2 TRP A 789 -0.379 -9.968 -6.785 1.00 0.22 C ATOM 223 NE1 TRP A 789 -0.399 -10.946 -8.799 1.00 0.25 N ATOM 224 CE2 TRP A 789 -0.640 -9.760 -8.151 1.00 0.25 C ATOM 225 CE3 TRP A 789 -0.549 -8.906 -5.894 1.00 0.24 C ATOM 226 CZ2 TRP A 789 -1.060 -8.528 -8.648 1.00 0.28 C ATOM 227 CZ3 TRP A 789 -0.967 -7.686 -6.386 1.00 0.28 C ATOM 228 CH2 TRP A 789 -1.219 -7.505 -7.752 1.00 0.30 C ATOM 0 H TRP A 789 -0.811 -14.017 -6.090 1.00 0.21 H new ATOM 0 HA TRP A 789 1.842 -13.263 -6.400 1.00 0.18 H new ATOM 0 HB2 TRP A 789 -0.478 -12.176 -4.758 1.00 0.18 H new ATOM 0 HB3 TRP A 789 1.073 -11.360 -4.792 1.00 0.18 H new ATOM 0 HD1 TRP A 789 0.247 -12.906 -8.114 1.00 0.22 H new ATOM 0 HE1 TRP A 789 -0.499 -11.104 -9.802 1.00 0.25 H new ATOM 0 HE3 TRP A 789 -0.357 -9.037 -4.839 1.00 0.24 H new ATOM 0 HZ2 TRP A 789 -1.253 -8.385 -9.701 1.00 0.28 H new ATOM 0 HZ3 TRP A 789 -1.102 -6.857 -5.707 1.00 0.28 H new ATOM 0 HH2 TRP A 789 -1.546 -6.538 -8.106 1.00 0.30 H new ATOM 239 N ASN A 790 3.175 -13.667 -4.381 1.00 0.18 N ATOM 240 CA ASN A 790 4.012 -13.978 -3.231 1.00 0.20 C ATOM 241 C ASN A 790 4.390 -12.677 -2.536 1.00 0.18 C ATOM 242 O ASN A 790 4.194 -11.602 -3.098 1.00 0.20 O ATOM 243 CB ASN A 790 5.270 -14.732 -3.669 1.00 0.24 C ATOM 244 CG ASN A 790 5.174 -15.238 -5.095 1.00 0.93 C ATOM 245 OD1 ASN A 790 4.874 -16.408 -5.332 1.00 1.89 O ATOM 246 ND2 ASN A 790 5.428 -14.355 -6.054 1.00 0.77 N ATOM 0 H ASN A 790 3.692 -13.384 -5.214 1.00 0.18 H new ATOM 0 HA ASN A 790 3.461 -14.618 -2.542 1.00 0.20 H new ATOM 0 HB2 ASN A 790 6.135 -14.075 -3.577 1.00 0.24 H new ATOM 0 HB3 ASN A 790 5.437 -15.575 -2.998 1.00 0.24 H new ATOM 0 HD21 ASN A 790 5.378 -14.637 -7.033 1.00 0.77 H new ATOM 0 HD22 ASN A 790 5.673 -13.395 -5.811 1.00 0.77 H new ATOM 253 N PHE A 791 4.924 -12.763 -1.324 1.00 0.20 N ATOM 254 CA PHE A 791 5.310 -11.560 -0.591 1.00 0.20 C ATOM 255 C PHE A 791 6.255 -10.714 -1.435 1.00 0.16 C ATOM 256 O PHE A 791 6.356 -9.502 -1.247 1.00 0.17 O ATOM 257 CB PHE A 791 5.966 -11.928 0.743 1.00 0.26 C ATOM 258 CG PHE A 791 6.383 -10.738 1.560 1.00 0.35 C ATOM 259 CD1 PHE A 791 5.438 -9.965 2.218 1.00 0.44 C ATOM 260 CD2 PHE A 791 7.720 -10.393 1.673 1.00 0.47 C ATOM 261 CE1 PHE A 791 5.820 -8.872 2.972 1.00 0.57 C ATOM 262 CE2 PHE A 791 8.108 -9.301 2.424 1.00 0.59 C ATOM 263 CZ PHE A 791 7.152 -8.533 3.068 1.00 0.63 C ATOM 0 H PHE A 791 5.099 -13.639 -0.832 1.00 0.20 H new ATOM 0 HA PHE A 791 4.413 -10.978 -0.380 1.00 0.20 H new ATOM 0 HB2 PHE A 791 5.270 -12.532 1.326 1.00 0.26 H new ATOM 0 HB3 PHE A 791 6.841 -12.549 0.549 1.00 0.26 H new ATOM 0 HD1 PHE A 791 4.392 -10.220 2.140 1.00 0.44 H new ATOM 0 HD2 PHE A 791 8.468 -10.985 1.167 1.00 0.47 H new ATOM 0 HE1 PHE A 791 5.075 -8.283 3.486 1.00 0.57 H new ATOM 0 HE2 PHE A 791 9.154 -9.046 2.509 1.00 0.59 H new ATOM 0 HZ PHE A 791 7.450 -7.670 3.644 1.00 0.63 H new ATOM 273 N ASP A 792 6.925 -11.361 -2.380 1.00 0.17 N ATOM 274 CA ASP A 792 7.841 -10.667 -3.271 1.00 0.17 C ATOM 275 C ASP A 792 7.056 -9.839 -4.280 1.00 0.16 C ATOM 276 O ASP A 792 7.216 -8.623 -4.349 1.00 0.19 O ATOM 277 CB ASP A 792 8.740 -11.666 -3.999 1.00 0.22 C ATOM 278 CG ASP A 792 9.910 -10.994 -4.691 1.00 1.17 C ATOM 279 OD1 ASP A 792 9.673 -10.229 -5.649 1.00 2.05 O ATOM 280 OD2 ASP A 792 11.063 -11.230 -4.274 1.00 1.47 O ATOM 0 H ASP A 792 6.850 -12.364 -2.548 1.00 0.17 H new ATOM 0 HA ASP A 792 8.470 -10.004 -2.677 1.00 0.17 H new ATOM 0 HB2 ASP A 792 9.116 -12.399 -3.285 1.00 0.22 H new ATOM 0 HB3 ASP A 792 8.150 -12.211 -4.736 1.00 0.22 H new ATOM 285 N ASP A 793 6.196 -10.507 -5.050 1.00 0.17 N ATOM 286 CA ASP A 793 5.376 -9.827 -6.046 1.00 0.18 C ATOM 287 C ASP A 793 4.515 -8.762 -5.384 1.00 0.17 C ATOM 288 O ASP A 793 4.246 -7.712 -5.968 1.00 0.24 O ATOM 289 CB ASP A 793 4.492 -10.828 -6.788 1.00 0.19 C ATOM 290 CG ASP A 793 4.547 -10.640 -8.293 1.00 0.56 C ATOM 291 OD1 ASP A 793 4.314 -9.506 -8.758 1.00 1.07 O ATOM 292 OD2 ASP A 793 4.823 -11.628 -9.005 1.00 1.04 O ATOM 0 H ASP A 793 6.051 -11.516 -5.001 1.00 0.17 H new ATOM 0 HA ASP A 793 6.039 -9.347 -6.766 1.00 0.18 H new ATOM 0 HB2 ASP A 793 4.807 -11.841 -6.539 1.00 0.19 H new ATOM 0 HB3 ASP A 793 3.462 -10.721 -6.448 1.00 0.19 H new ATOM 297 N LEU A 794 4.097 -9.038 -4.153 1.00 0.14 N ATOM 298 CA LEU A 794 3.278 -8.102 -3.396 1.00 0.15 C ATOM 299 C LEU A 794 4.038 -6.803 -3.176 1.00 0.15 C ATOM 300 O LEU A 794 3.536 -5.716 -3.467 1.00 0.17 O ATOM 301 CB LEU A 794 2.888 -8.703 -2.042 1.00 0.19 C ATOM 302 CG LEU A 794 1.812 -7.929 -1.282 1.00 0.26 C ATOM 303 CD1 LEU A 794 0.530 -7.834 -2.102 1.00 0.93 C ATOM 304 CD2 LEU A 794 1.539 -8.578 0.065 1.00 0.70 C ATOM 0 H LEU A 794 4.313 -9.904 -3.659 1.00 0.14 H new ATOM 0 HA LEU A 794 2.372 -7.899 -3.967 1.00 0.15 H new ATOM 0 HB2 LEU A 794 2.538 -9.723 -2.201 1.00 0.19 H new ATOM 0 HB3 LEU A 794 3.780 -8.765 -1.418 1.00 0.19 H new ATOM 0 HG LEU A 794 2.179 -6.917 -1.109 1.00 0.26 H new ATOM 0 HD11 LEU A 794 -0.221 -7.279 -1.540 1.00 0.93 H new ATOM 0 HD12 LEU A 794 0.736 -7.319 -3.040 1.00 0.93 H new ATOM 0 HD13 LEU A 794 0.158 -8.837 -2.313 1.00 0.93 H new ATOM 0 HD21 LEU A 794 0.770 -8.013 0.592 1.00 0.70 H new ATOM 0 HD22 LEU A 794 1.197 -9.602 -0.087 1.00 0.70 H new ATOM 0 HD23 LEU A 794 2.454 -8.585 0.657 1.00 0.70 H new ATOM 316 N ILE A 795 5.255 -6.932 -2.662 1.00 0.19 N ATOM 317 CA ILE A 795 6.106 -5.781 -2.396 1.00 0.22 C ATOM 318 C ILE A 795 6.345 -4.967 -3.661 1.00 0.21 C ATOM 319 O ILE A 795 6.498 -3.754 -3.598 1.00 0.23 O ATOM 320 CB ILE A 795 7.452 -6.220 -1.789 1.00 0.26 C ATOM 321 CG1 ILE A 795 7.263 -6.659 -0.334 1.00 0.30 C ATOM 322 CG2 ILE A 795 8.489 -5.108 -1.885 1.00 0.28 C ATOM 323 CD1 ILE A 795 6.724 -5.568 0.568 1.00 0.32 C ATOM 0 H ILE A 795 5.676 -7.829 -2.420 1.00 0.19 H new ATOM 0 HA ILE A 795 5.586 -5.151 -1.675 1.00 0.22 H new ATOM 0 HB ILE A 795 7.821 -7.069 -2.364 1.00 0.26 H new ATOM 0 HG12 ILE A 795 6.582 -7.510 -0.306 1.00 0.30 H new ATOM 0 HG13 ILE A 795 8.220 -7.003 0.059 1.00 0.30 H new ATOM 0 HG21 ILE A 795 9.428 -5.448 -1.448 1.00 0.28 H new ATOM 0 HG22 ILE A 795 8.648 -4.848 -2.932 1.00 0.28 H new ATOM 0 HG23 ILE A 795 8.133 -4.231 -1.344 1.00 0.28 H new ATOM 0 HD11 ILE A 795 6.617 -5.954 1.582 1.00 0.32 H new ATOM 0 HD12 ILE A 795 7.415 -4.725 0.572 1.00 0.32 H new ATOM 0 HD13 ILE A 795 5.752 -5.239 0.200 1.00 0.32 H new ATOM 335 N MET A 796 6.368 -5.634 -4.812 1.00 0.23 N ATOM 336 CA MET A 796 6.582 -4.944 -6.080 1.00 0.26 C ATOM 337 C MET A 796 5.398 -4.042 -6.403 1.00 0.23 C ATOM 338 O MET A 796 5.569 -2.853 -6.674 1.00 0.22 O ATOM 339 CB MET A 796 6.794 -5.948 -7.215 1.00 0.36 C ATOM 340 CG MET A 796 7.623 -7.155 -6.814 1.00 0.46 C ATOM 341 SD MET A 796 8.100 -8.170 -8.227 1.00 0.67 S ATOM 342 CE MET A 796 9.746 -7.542 -8.553 1.00 1.53 C ATOM 0 H MET A 796 6.242 -6.643 -4.893 1.00 0.23 H new ATOM 0 HA MET A 796 7.478 -4.331 -5.983 1.00 0.26 H new ATOM 0 HB2 MET A 796 5.823 -6.288 -7.574 1.00 0.36 H new ATOM 0 HB3 MET A 796 7.283 -5.443 -8.048 1.00 0.36 H new ATOM 0 HG2 MET A 796 8.520 -6.818 -6.294 1.00 0.46 H new ATOM 0 HG3 MET A 796 7.055 -7.763 -6.110 1.00 0.46 H new ATOM 0 HE1 MET A 796 10.176 -8.072 -9.403 1.00 1.53 H new ATOM 0 HE2 MET A 796 9.691 -6.477 -8.780 1.00 1.53 H new ATOM 0 HE3 MET A 796 10.374 -7.694 -7.675 1.00 1.53 H new ATOM 352 N ALA A 797 4.196 -4.614 -6.364 1.00 0.26 N ATOM 353 CA ALA A 797 2.982 -3.855 -6.642 1.00 0.30 C ATOM 354 C ALA A 797 2.920 -2.618 -5.757 1.00 0.28 C ATOM 355 O ALA A 797 2.775 -1.495 -6.246 1.00 0.30 O ATOM 356 CB ALA A 797 1.754 -4.726 -6.428 1.00 0.38 C ATOM 0 H ALA A 797 4.039 -5.597 -6.143 1.00 0.26 H new ATOM 0 HA ALA A 797 3.000 -3.535 -7.684 1.00 0.30 H new ATOM 0 HB1 ALA A 797 0.855 -4.146 -6.639 1.00 0.38 H new ATOM 0 HB2 ALA A 797 1.797 -5.586 -7.097 1.00 0.38 H new ATOM 0 HB3 ALA A 797 1.728 -5.071 -5.394 1.00 0.38 H new ATOM 362 N ILE A 798 3.048 -2.834 -4.453 1.00 0.27 N ATOM 363 CA ILE A 798 3.026 -1.745 -3.492 1.00 0.31 C ATOM 364 C ILE A 798 4.135 -0.744 -3.785 1.00 0.29 C ATOM 365 O ILE A 798 3.899 0.461 -3.853 1.00 0.33 O ATOM 366 CB ILE A 798 3.197 -2.265 -2.054 1.00 0.35 C ATOM 367 CG1 ILE A 798 1.984 -3.108 -1.650 1.00 0.40 C ATOM 368 CG2 ILE A 798 3.401 -1.101 -1.093 1.00 0.42 C ATOM 369 CD1 ILE A 798 2.090 -3.699 -0.260 1.00 0.50 C ATOM 0 H ILE A 798 3.168 -3.758 -4.039 1.00 0.27 H new ATOM 0 HA ILE A 798 2.056 -1.257 -3.583 1.00 0.31 H new ATOM 0 HB ILE A 798 4.082 -2.900 -2.008 1.00 0.35 H new ATOM 0 HG12 ILE A 798 1.088 -2.490 -1.705 1.00 0.40 H new ATOM 0 HG13 ILE A 798 1.858 -3.916 -2.370 1.00 0.40 H new ATOM 0 HG21 ILE A 798 3.521 -1.483 -0.079 1.00 0.42 H new ATOM 0 HG22 ILE A 798 4.294 -0.545 -1.379 1.00 0.42 H new ATOM 0 HG23 ILE A 798 2.535 -0.441 -1.132 1.00 0.42 H new ATOM 0 HD11 ILE A 798 1.195 -4.283 -0.044 1.00 0.50 H new ATOM 0 HD12 ILE A 798 2.967 -4.345 -0.205 1.00 0.50 H new ATOM 0 HD13 ILE A 798 2.185 -2.896 0.471 1.00 0.50 H new ATOM 381 N ASN A 799 5.349 -1.260 -3.948 1.00 0.25 N ATOM 382 CA ASN A 799 6.508 -0.422 -4.226 1.00 0.29 C ATOM 383 C ASN A 799 6.281 0.443 -5.461 1.00 0.27 C ATOM 384 O ASN A 799 6.851 1.527 -5.582 1.00 0.36 O ATOM 385 CB ASN A 799 7.757 -1.278 -4.419 1.00 0.30 C ATOM 386 CG ASN A 799 8.972 -0.699 -3.722 1.00 0.38 C ATOM 387 OD1 ASN A 799 9.592 0.246 -4.212 1.00 0.81 O ATOM 388 ND2 ASN A 799 9.320 -1.263 -2.571 1.00 0.78 N ATOM 0 H ASN A 799 5.555 -2.257 -3.892 1.00 0.25 H new ATOM 0 HA ASN A 799 6.653 0.233 -3.367 1.00 0.29 H new ATOM 0 HB2 ASN A 799 7.568 -2.282 -4.038 1.00 0.30 H new ATOM 0 HB3 ASN A 799 7.966 -1.375 -5.484 1.00 0.30 H new ATOM 0 HD21 ASN A 799 10.129 -0.915 -2.057 1.00 0.78 H new ATOM 0 HD22 ASN A 799 8.778 -2.044 -2.201 1.00 0.78 H new ATOM 395 N SER A 800 5.448 -0.042 -6.376 1.00 0.22 N ATOM 396 CA SER A 800 5.151 0.692 -7.600 1.00 0.25 C ATOM 397 C SER A 800 4.143 1.803 -7.332 1.00 0.28 C ATOM 398 O SER A 800 4.102 2.805 -8.048 1.00 0.33 O ATOM 399 CB SER A 800 4.609 -0.257 -8.671 1.00 0.28 C ATOM 400 OG SER A 800 4.322 0.439 -9.870 1.00 0.98 O ATOM 0 H SER A 800 4.968 -0.938 -6.293 1.00 0.22 H new ATOM 0 HA SER A 800 6.076 1.142 -7.960 1.00 0.25 H new ATOM 0 HB2 SER A 800 5.339 -1.042 -8.868 1.00 0.28 H new ATOM 0 HB3 SER A 800 3.706 -0.746 -8.305 1.00 0.28 H new ATOM 0 HG SER A 800 3.979 -0.190 -10.539 1.00 0.98 H new ATOM 406 N LYS A 801 3.327 1.617 -6.300 1.00 0.30 N ATOM 407 CA LYS A 801 2.314 2.603 -5.939 1.00 0.37 C ATOM 408 C LYS A 801 2.800 3.510 -4.809 1.00 0.40 C ATOM 409 O LYS A 801 2.092 4.427 -4.396 1.00 0.49 O ATOM 410 CB LYS A 801 1.019 1.902 -5.525 1.00 0.42 C ATOM 411 CG LYS A 801 -0.228 2.526 -6.129 1.00 0.67 C ATOM 412 CD LYS A 801 -0.861 1.614 -7.168 1.00 1.05 C ATOM 413 CE LYS A 801 -2.368 1.796 -7.223 1.00 1.43 C ATOM 414 NZ LYS A 801 -3.063 1.002 -6.173 1.00 2.25 N ATOM 0 H LYS A 801 3.347 0.793 -5.699 1.00 0.30 H new ATOM 0 HA LYS A 801 2.124 3.224 -6.815 1.00 0.37 H new ATOM 0 HB2 LYS A 801 1.071 0.854 -5.822 1.00 0.42 H new ATOM 0 HB3 LYS A 801 0.936 1.922 -4.438 1.00 0.42 H new ATOM 0 HG2 LYS A 801 -0.950 2.736 -5.340 1.00 0.67 H new ATOM 0 HG3 LYS A 801 0.028 3.481 -6.589 1.00 0.67 H new ATOM 0 HD2 LYS A 801 -0.432 1.824 -8.148 1.00 1.05 H new ATOM 0 HD3 LYS A 801 -0.627 0.576 -6.933 1.00 1.05 H new ATOM 0 HE2 LYS A 801 -2.611 2.851 -7.100 1.00 1.43 H new ATOM 0 HE3 LYS A 801 -2.734 1.497 -8.205 1.00 1.43 H new ATOM 0 HZ1 LYS A 801 -4.089 1.154 -6.245 1.00 2.25 H new ATOM 0 HZ2 LYS A 801 -2.853 -0.008 -6.305 1.00 2.25 H new ATOM 0 HZ3 LYS A 801 -2.733 1.304 -5.234 1.00 2.25 H new ATOM 428 N ILE A 802 4.008 3.250 -4.312 1.00 0.39 N ATOM 429 CA ILE A 802 4.572 4.051 -3.229 1.00 0.45 C ATOM 430 C ILE A 802 5.795 4.837 -3.696 1.00 0.50 C ATOM 431 O ILE A 802 6.037 5.954 -3.239 1.00 0.60 O ATOM 432 CB ILE A 802 4.966 3.177 -2.019 1.00 0.47 C ATOM 433 CG1 ILE A 802 6.090 2.216 -2.392 1.00 0.42 C ATOM 434 CG2 ILE A 802 3.758 2.414 -1.499 1.00 0.49 C ATOM 435 CD1 ILE A 802 7.322 2.361 -1.526 1.00 0.75 C ATOM 0 H ILE A 802 4.611 2.496 -4.640 1.00 0.39 H new ATOM 0 HA ILE A 802 3.793 4.749 -2.922 1.00 0.45 H new ATOM 0 HB ILE A 802 5.328 3.831 -1.226 1.00 0.47 H new ATOM 0 HG12 ILE A 802 5.722 1.193 -2.317 1.00 0.42 H new ATOM 0 HG13 ILE A 802 6.367 2.380 -3.433 1.00 0.42 H new ATOM 0 HG21 ILE A 802 4.053 1.803 -0.646 1.00 0.49 H new ATOM 0 HG22 ILE A 802 2.987 3.120 -1.190 1.00 0.49 H new ATOM 0 HG23 ILE A 802 3.366 1.771 -2.288 1.00 0.49 H new ATOM 0 HD11 ILE A 802 8.079 1.647 -1.848 1.00 0.75 H new ATOM 0 HD12 ILE A 802 7.715 3.373 -1.619 1.00 0.75 H new ATOM 0 HD13 ILE A 802 7.060 2.168 -0.486 1.00 0.75 H new ATOM 447 N SER A 803 6.563 4.247 -4.606 1.00 0.45 N ATOM 448 CA SER A 803 7.762 4.894 -5.130 1.00 0.53 C ATOM 449 C SER A 803 7.715 4.991 -6.653 1.00 0.61 C ATOM 450 O SER A 803 8.060 6.023 -7.228 1.00 1.19 O ATOM 451 CB SER A 803 9.013 4.129 -4.692 1.00 0.60 C ATOM 452 OG SER A 803 9.250 3.014 -5.535 1.00 1.53 O ATOM 0 H SER A 803 6.377 3.323 -4.996 1.00 0.45 H new ATOM 0 HA SER A 803 7.802 5.905 -4.725 1.00 0.53 H new ATOM 0 HB2 SER A 803 9.876 4.795 -4.713 1.00 0.60 H new ATOM 0 HB3 SER A 803 8.895 3.792 -3.662 1.00 0.60 H new ATOM 0 HG SER A 803 8.441 2.462 -5.583 1.00 1.53 H new ATOM 576 N PRO A 812 11.732 3.404 -1.033 1.00 0.70 N ATOM 577 CA PRO A 812 10.911 2.188 -1.001 1.00 0.66 C ATOM 578 C PRO A 812 10.788 1.618 0.409 1.00 0.62 C ATOM 579 O PRO A 812 11.467 2.068 1.332 1.00 0.73 O ATOM 580 CB PRO A 812 11.663 1.207 -1.910 1.00 0.70 C ATOM 581 CG PRO A 812 12.611 2.046 -2.700 1.00 0.95 C ATOM 582 CD PRO A 812 12.957 3.214 -1.825 1.00 0.77 C ATOM 0 HA PRO A 812 9.889 2.382 -1.328 1.00 0.66 H new ATOM 0 HB2 PRO A 812 12.196 0.458 -1.324 1.00 0.70 H new ATOM 0 HB3 PRO A 812 10.975 0.670 -2.563 1.00 0.70 H new ATOM 0 HG2 PRO A 812 13.504 1.480 -2.967 1.00 0.95 H new ATOM 0 HG3 PRO A 812 12.154 2.379 -3.632 1.00 0.95 H new ATOM 0 HD2 PRO A 812 13.819 3.003 -1.192 1.00 0.77 H new ATOM 0 HD3 PRO A 812 13.201 4.100 -2.411 1.00 0.77 H new ATOM 590 N ILE A 813 9.920 0.623 0.567 1.00 0.62 N ATOM 591 CA ILE A 813 9.711 -0.012 1.863 1.00 0.61 C ATOM 592 C ILE A 813 9.727 -1.531 1.740 1.00 0.59 C ATOM 593 O ILE A 813 9.978 -2.071 0.662 1.00 0.75 O ATOM 594 CB ILE A 813 8.378 0.432 2.497 1.00 0.70 C ATOM 595 CG1 ILE A 813 7.264 0.431 1.449 1.00 1.22 C ATOM 596 CG2 ILE A 813 8.525 1.811 3.122 1.00 1.05 C ATOM 597 CD1 ILE A 813 5.871 0.483 2.042 1.00 1.94 C ATOM 0 H ILE A 813 9.350 0.239 -0.187 1.00 0.62 H new ATOM 0 HA ILE A 813 10.532 0.303 2.507 1.00 0.61 H new ATOM 0 HB ILE A 813 8.111 -0.275 3.282 1.00 0.70 H new ATOM 0 HG12 ILE A 813 7.400 1.286 0.787 1.00 1.22 H new ATOM 0 HG13 ILE A 813 7.355 -0.465 0.835 1.00 1.22 H new ATOM 0 HG21 ILE A 813 7.576 2.112 3.566 1.00 1.05 H new ATOM 0 HG22 ILE A 813 9.294 1.780 3.894 1.00 1.05 H new ATOM 0 HG23 ILE A 813 8.811 2.530 2.354 1.00 1.05 H new ATOM 0 HD11 ILE A 813 5.134 0.479 1.239 1.00 1.94 H new ATOM 0 HD12 ILE A 813 5.715 -0.386 2.682 1.00 1.94 H new ATOM 0 HD13 ILE A 813 5.760 1.393 2.632 1.00 1.94 H new ATOM 609 N THR A 814 9.463 -2.217 2.848 1.00 0.49 N ATOM 610 CA THR A 814 9.453 -3.676 2.855 1.00 0.49 C ATOM 611 C THR A 814 8.438 -4.223 3.856 1.00 0.47 C ATOM 612 O THR A 814 7.438 -4.829 3.470 1.00 0.54 O ATOM 613 CB THR A 814 10.843 -4.243 3.193 1.00 0.53 C ATOM 614 OG1 THR A 814 11.532 -3.357 4.084 1.00 1.16 O ATOM 615 CG2 THR A 814 11.668 -4.441 1.930 1.00 1.07 C ATOM 0 H THR A 814 9.254 -1.788 3.749 1.00 0.49 H new ATOM 0 HA THR A 814 9.170 -3.991 1.851 1.00 0.49 H new ATOM 0 HB THR A 814 10.708 -5.211 3.676 1.00 0.53 H new ATOM 0 HG1 THR A 814 12.415 -3.727 4.295 1.00 1.16 H new ATOM 0 HG21 THR A 814 12.646 -4.843 2.194 1.00 1.07 H new ATOM 0 HG22 THR A 814 11.156 -5.138 1.267 1.00 1.07 H new ATOM 0 HG23 THR A 814 11.793 -3.484 1.423 1.00 1.07 H new ATOM 623 N LYS A 815 8.701 -4.010 5.141 1.00 0.42 N ATOM 624 CA LYS A 815 7.807 -4.487 6.191 1.00 0.42 C ATOM 625 C LYS A 815 6.608 -3.556 6.348 1.00 0.40 C ATOM 626 O LYS A 815 6.765 -2.373 6.647 1.00 0.48 O ATOM 627 CB LYS A 815 8.558 -4.600 7.519 1.00 0.49 C ATOM 628 CG LYS A 815 8.763 -6.034 7.980 1.00 0.89 C ATOM 629 CD LYS A 815 9.588 -6.098 9.255 1.00 1.30 C ATOM 630 CE LYS A 815 8.715 -6.359 10.470 1.00 1.97 C ATOM 631 NZ LYS A 815 9.495 -6.313 11.737 1.00 2.69 N ATOM 0 H LYS A 815 9.524 -3.512 5.480 1.00 0.42 H new ATOM 0 HA LYS A 815 7.444 -5.474 5.904 1.00 0.42 H new ATOM 0 HB2 LYS A 815 9.530 -4.116 7.420 1.00 0.49 H new ATOM 0 HB3 LYS A 815 8.007 -4.055 8.286 1.00 0.49 H new ATOM 0 HG2 LYS A 815 7.794 -6.505 8.148 1.00 0.89 H new ATOM 0 HG3 LYS A 815 9.261 -6.602 7.194 1.00 0.89 H new ATOM 0 HD2 LYS A 815 10.336 -6.886 9.167 1.00 1.30 H new ATOM 0 HD3 LYS A 815 10.128 -5.160 9.388 1.00 1.30 H new ATOM 0 HE2 LYS A 815 7.917 -5.618 10.509 1.00 1.97 H new ATOM 0 HE3 LYS A 815 8.240 -7.335 10.372 1.00 1.97 H new ATOM 0 HZ1 LYS A 815 8.862 -6.496 12.541 1.00 2.69 H new ATOM 0 HZ2 LYS A 815 10.241 -7.037 11.712 1.00 2.69 H new ATOM 0 HZ3 LYS A 815 9.928 -5.373 11.844 1.00 2.69 H new ATOM 645 N ILE A 816 5.411 -4.098 6.134 1.00 0.36 N ATOM 646 CA ILE A 816 4.188 -3.311 6.244 1.00 0.38 C ATOM 647 C ILE A 816 3.118 -4.046 7.049 1.00 0.33 C ATOM 648 O ILE A 816 3.313 -5.184 7.474 1.00 0.37 O ATOM 649 CB ILE A 816 3.617 -2.953 4.853 1.00 0.41 C ATOM 650 CG1 ILE A 816 2.929 -4.168 4.213 1.00 0.59 C ATOM 651 CG2 ILE A 816 4.716 -2.415 3.946 1.00 0.84 C ATOM 652 CD1 ILE A 816 3.875 -5.292 3.847 1.00 0.53 C ATOM 0 H ILE A 816 5.263 -5.076 5.884 1.00 0.36 H new ATOM 0 HA ILE A 816 4.457 -2.393 6.766 1.00 0.38 H new ATOM 0 HB ILE A 816 2.867 -2.173 4.984 1.00 0.41 H new ATOM 0 HG12 ILE A 816 2.176 -4.551 4.902 1.00 0.59 H new ATOM 0 HG13 ILE A 816 2.403 -3.843 3.315 1.00 0.59 H new ATOM 0 HG21 ILE A 816 4.295 -2.168 2.971 1.00 0.84 H new ATOM 0 HG22 ILE A 816 5.149 -1.519 4.391 1.00 0.84 H new ATOM 0 HG23 ILE A 816 5.491 -3.172 3.826 1.00 0.84 H new ATOM 0 HD11 ILE A 816 3.311 -6.111 3.401 1.00 0.53 H new ATOM 0 HD12 ILE A 816 4.613 -4.928 3.132 1.00 0.53 H new ATOM 0 HD13 ILE A 816 4.383 -5.647 4.744 1.00 0.53 H new ATOM 664 N LYS A 817 1.985 -3.378 7.246 1.00 0.32 N ATOM 665 CA LYS A 817 0.868 -3.946 7.990 1.00 0.31 C ATOM 666 C LYS A 817 -0.338 -4.125 7.071 1.00 0.32 C ATOM 667 O LYS A 817 -0.365 -3.589 5.964 1.00 0.59 O ATOM 668 CB LYS A 817 0.501 -3.034 9.166 1.00 0.37 C ATOM 669 CG LYS A 817 1.565 -2.985 10.251 1.00 0.39 C ATOM 670 CD LYS A 817 1.025 -3.476 11.583 1.00 0.38 C ATOM 671 CE LYS A 817 1.734 -2.813 12.752 1.00 0.50 C ATOM 672 NZ LYS A 817 0.949 -2.925 14.013 1.00 0.85 N ATOM 0 H LYS A 817 1.817 -2.435 6.897 1.00 0.32 H new ATOM 0 HA LYS A 817 1.163 -4.921 8.378 1.00 0.31 H new ATOM 0 HB2 LYS A 817 0.328 -2.025 8.792 1.00 0.37 H new ATOM 0 HB3 LYS A 817 -0.437 -3.378 9.603 1.00 0.37 H new ATOM 0 HG2 LYS A 817 2.417 -3.597 9.955 1.00 0.39 H new ATOM 0 HG3 LYS A 817 1.929 -1.963 10.359 1.00 0.39 H new ATOM 0 HD2 LYS A 817 -0.044 -3.271 11.641 1.00 0.38 H new ATOM 0 HD3 LYS A 817 1.146 -4.557 11.649 1.00 0.38 H new ATOM 0 HE2 LYS A 817 2.712 -3.273 12.891 1.00 0.50 H new ATOM 0 HE3 LYS A 817 1.906 -1.761 12.523 1.00 0.50 H new ATOM 0 HZ1 LYS A 817 1.466 -2.461 14.786 1.00 0.85 H new ATOM 0 HZ2 LYS A 817 0.025 -2.464 13.889 1.00 0.85 H new ATOM 0 HZ3 LYS A 817 0.807 -3.929 14.245 1.00 0.85 H new ATOM 686 N TYR A 818 -1.336 -4.879 7.530 1.00 0.23 N ATOM 687 CA TYR A 818 -2.534 -5.113 6.730 1.00 0.22 C ATOM 688 C TYR A 818 -3.755 -5.360 7.612 1.00 0.23 C ATOM 689 O TYR A 818 -3.631 -5.744 8.773 1.00 0.31 O ATOM 690 CB TYR A 818 -2.321 -6.290 5.774 1.00 0.26 C ATOM 691 CG TYR A 818 -2.288 -7.643 6.450 1.00 0.30 C ATOM 692 CD1 TYR A 818 -1.232 -7.998 7.281 1.00 0.46 C ATOM 693 CD2 TYR A 818 -3.316 -8.559 6.268 1.00 0.41 C ATOM 694 CE1 TYR A 818 -1.202 -9.228 7.909 1.00 0.58 C ATOM 695 CE2 TYR A 818 -3.294 -9.790 6.896 1.00 0.51 C ATOM 696 CZ TYR A 818 -2.220 -10.141 7.672 1.00 0.56 C ATOM 697 OH TYR A 818 -2.210 -11.344 8.341 1.00 0.71 O ATOM 0 H TYR A 818 -1.338 -5.334 8.443 1.00 0.23 H new ATOM 0 HA TYR A 818 -2.721 -4.213 6.144 1.00 0.22 H new ATOM 0 HB2 TYR A 818 -3.118 -6.288 5.030 1.00 0.26 H new ATOM 0 HB3 TYR A 818 -1.384 -6.142 5.237 1.00 0.26 H new ATOM 0 HD1 TYR A 818 -0.422 -7.301 7.438 1.00 0.46 H new ATOM 0 HD2 TYR A 818 -4.146 -8.305 5.625 1.00 0.41 H new ATOM 0 HE1 TYR A 818 -0.393 -9.477 8.579 1.00 0.58 H new ATOM 0 HE2 TYR A 818 -4.121 -10.474 6.776 1.00 0.51 H new ATOM 0 HH TYR A 818 -2.988 -11.875 8.070 1.00 0.71 H new ATOM 707 N GLN A 819 -4.936 -5.134 7.043 1.00 0.27 N ATOM 708 CA GLN A 819 -6.188 -5.324 7.754 1.00 0.34 C ATOM 709 C GLN A 819 -6.607 -6.785 7.725 1.00 0.40 C ATOM 710 O GLN A 819 -7.036 -7.305 6.695 1.00 0.45 O ATOM 711 CB GLN A 819 -7.282 -4.445 7.138 1.00 0.44 C ATOM 712 CG GLN A 819 -8.687 -4.787 7.611 1.00 0.56 C ATOM 713 CD GLN A 819 -9.393 -3.603 8.242 1.00 1.14 C ATOM 714 OE1 GLN A 819 -9.357 -2.490 7.717 1.00 1.91 O ATOM 715 NE2 GLN A 819 -10.042 -3.838 9.378 1.00 1.44 N ATOM 0 H GLN A 819 -5.048 -4.816 6.080 1.00 0.27 H new ATOM 0 HA GLN A 819 -6.043 -5.031 8.794 1.00 0.34 H new ATOM 0 HB2 GLN A 819 -7.073 -3.402 7.376 1.00 0.44 H new ATOM 0 HB3 GLN A 819 -7.242 -4.539 6.053 1.00 0.44 H new ATOM 0 HG2 GLN A 819 -9.274 -5.147 6.766 1.00 0.56 H new ATOM 0 HG3 GLN A 819 -8.635 -5.602 8.333 1.00 0.56 H new ATOM 0 HE21 GLN A 819 -10.046 -4.776 9.778 1.00 1.44 H new ATOM 0 HE22 GLN A 819 -10.536 -3.080 9.849 1.00 1.44 H new ATOM 724 N ASP A 820 -6.475 -7.441 8.868 1.00 0.43 N ATOM 725 CA ASP A 820 -6.832 -8.850 8.991 1.00 0.53 C ATOM 726 C ASP A 820 -8.343 -9.013 9.125 1.00 0.62 C ATOM 727 O ASP A 820 -9.083 -8.029 9.150 1.00 0.65 O ATOM 728 CB ASP A 820 -6.133 -9.468 10.203 1.00 0.58 C ATOM 729 CG ASP A 820 -6.007 -10.974 10.093 1.00 1.13 C ATOM 730 OD1 ASP A 820 -5.631 -11.461 9.007 1.00 1.80 O ATOM 731 OD2 ASP A 820 -6.285 -11.668 11.094 1.00 1.34 O ATOM 0 H ASP A 820 -6.122 -7.020 9.728 1.00 0.43 H new ATOM 0 HA ASP A 820 -6.505 -9.366 8.088 1.00 0.53 H new ATOM 0 HB2 ASP A 820 -5.140 -9.030 10.309 1.00 0.58 H new ATOM 0 HB3 ASP A 820 -6.689 -9.218 11.106 1.00 0.58 H new ATOM 736 N GLU A 821 -8.799 -10.261 9.207 1.00 0.71 N ATOM 737 CA GLU A 821 -10.224 -10.551 9.334 1.00 0.82 C ATOM 738 C GLU A 821 -10.696 -10.375 10.776 1.00 0.83 C ATOM 739 O GLU A 821 -11.561 -11.111 11.250 1.00 0.97 O ATOM 740 CB GLU A 821 -10.525 -11.971 8.850 1.00 0.96 C ATOM 741 CG GLU A 821 -9.801 -13.052 9.637 1.00 1.10 C ATOM 742 CD GLU A 821 -10.722 -14.177 10.070 1.00 1.30 C ATOM 743 OE1 GLU A 821 -11.742 -14.405 9.387 1.00 1.62 O ATOM 744 OE2 GLU A 821 -10.425 -14.828 11.094 1.00 1.53 O ATOM 0 H GLU A 821 -8.201 -11.087 9.188 1.00 0.71 H new ATOM 0 HA GLU A 821 -10.767 -9.842 8.710 1.00 0.82 H new ATOM 0 HB2 GLU A 821 -11.599 -12.146 8.912 1.00 0.96 H new ATOM 0 HB3 GLU A 821 -10.249 -12.053 7.799 1.00 0.96 H new ATOM 0 HG2 GLU A 821 -8.996 -13.462 9.027 1.00 1.10 H new ATOM 0 HG3 GLU A 821 -9.339 -12.607 10.518 1.00 1.10 H new ATOM 751 N ASP A 822 -10.124 -9.394 11.464 1.00 0.79 N ATOM 752 CA ASP A 822 -10.486 -9.115 12.848 1.00 0.81 C ATOM 753 C ASP A 822 -10.724 -7.623 13.050 1.00 0.73 C ATOM 754 O ASP A 822 -10.824 -7.148 14.182 1.00 0.78 O ATOM 755 CB ASP A 822 -9.386 -9.600 13.793 1.00 0.86 C ATOM 756 CG ASP A 822 -9.901 -10.577 14.831 1.00 1.20 C ATOM 757 OD1 ASP A 822 -10.965 -10.304 15.426 1.00 1.65 O ATOM 758 OD2 ASP A 822 -9.241 -11.614 15.048 1.00 1.56 O ATOM 0 H ASP A 822 -9.406 -8.777 11.085 1.00 0.79 H new ATOM 0 HA ASP A 822 -11.409 -9.650 13.074 1.00 0.81 H new ATOM 0 HB2 ASP A 822 -8.596 -10.075 13.212 1.00 0.86 H new ATOM 0 HB3 ASP A 822 -8.940 -8.742 14.296 1.00 0.86 H new ATOM 763 N GLY A 823 -10.813 -6.889 11.944 1.00 0.68 N ATOM 764 CA GLY A 823 -11.034 -5.456 12.018 1.00 0.70 C ATOM 765 C GLY A 823 -9.912 -4.740 12.741 1.00 0.67 C ATOM 766 O GLY A 823 -10.158 -3.912 13.618 1.00 0.88 O ATOM 0 H GLY A 823 -10.736 -7.262 10.998 1.00 0.68 H new ATOM 0 HA2 GLY A 823 -11.130 -5.052 11.010 1.00 0.70 H new ATOM 0 HA3 GLY A 823 -11.976 -5.261 12.530 1.00 0.70 H new ATOM 770 N ASP A 824 -8.675 -5.064 12.373 1.00 0.54 N ATOM 771 CA ASP A 824 -7.507 -4.456 12.988 1.00 0.57 C ATOM 772 C ASP A 824 -6.240 -4.843 12.233 1.00 0.55 C ATOM 773 O ASP A 824 -6.033 -6.011 11.897 1.00 0.93 O ATOM 774 CB ASP A 824 -7.392 -4.885 14.453 1.00 0.65 C ATOM 775 CG ASP A 824 -7.159 -3.710 15.383 1.00 1.15 C ATOM 776 OD1 ASP A 824 -8.152 -3.111 15.845 1.00 1.86 O ATOM 777 OD2 ASP A 824 -5.981 -3.388 15.650 1.00 1.48 O ATOM 0 H ASP A 824 -8.459 -5.748 11.648 1.00 0.54 H new ATOM 0 HA ASP A 824 -7.623 -3.373 12.944 1.00 0.57 H new ATOM 0 HB2 ASP A 824 -8.303 -5.404 14.749 1.00 0.65 H new ATOM 0 HB3 ASP A 824 -6.572 -5.596 14.557 1.00 0.65 H new ATOM 782 N PHE A 825 -5.398 -3.853 11.969 1.00 0.42 N ATOM 783 CA PHE A 825 -4.148 -4.080 11.255 1.00 0.37 C ATOM 784 C PHE A 825 -3.221 -4.981 12.061 1.00 0.38 C ATOM 785 O PHE A 825 -3.192 -4.919 13.291 1.00 0.44 O ATOM 786 CB PHE A 825 -3.455 -2.750 10.959 1.00 0.39 C ATOM 787 CG PHE A 825 -4.194 -1.899 9.966 1.00 0.41 C ATOM 788 CD1 PHE A 825 -4.037 -2.107 8.605 1.00 0.38 C ATOM 789 CD2 PHE A 825 -5.043 -0.893 10.394 1.00 0.59 C ATOM 790 CE1 PHE A 825 -4.717 -1.326 7.689 1.00 0.43 C ATOM 791 CE2 PHE A 825 -5.725 -0.109 9.483 1.00 0.64 C ATOM 792 CZ PHE A 825 -5.561 -0.326 8.128 1.00 0.52 C ATOM 0 H PHE A 825 -5.558 -2.883 12.239 1.00 0.42 H new ATOM 0 HA PHE A 825 -4.381 -4.576 10.313 1.00 0.37 H new ATOM 0 HB2 PHE A 825 -3.341 -2.193 11.889 1.00 0.39 H new ATOM 0 HB3 PHE A 825 -2.452 -2.948 10.581 1.00 0.39 H new ATOM 0 HD1 PHE A 825 -3.377 -2.887 8.256 1.00 0.38 H new ATOM 0 HD2 PHE A 825 -5.174 -0.719 11.452 1.00 0.59 H new ATOM 0 HE1 PHE A 825 -4.588 -1.498 6.631 1.00 0.43 H new ATOM 0 HE2 PHE A 825 -6.385 0.672 9.829 1.00 0.64 H new ATOM 0 HZ PHE A 825 -6.092 0.286 7.414 1.00 0.52 H new ATOM 802 N VAL A 826 -2.462 -5.819 11.361 1.00 0.38 N ATOM 803 CA VAL A 826 -1.531 -6.732 12.011 1.00 0.45 C ATOM 804 C VAL A 826 -0.170 -6.689 11.328 1.00 0.36 C ATOM 805 O VAL A 826 0.013 -5.982 10.335 1.00 0.31 O ATOM 806 CB VAL A 826 -2.060 -8.180 12.002 1.00 0.54 C ATOM 807 CG1 VAL A 826 -2.977 -8.420 13.192 1.00 0.97 C ATOM 808 CG2 VAL A 826 -2.787 -8.476 10.701 1.00 0.79 C ATOM 0 H VAL A 826 -2.474 -5.884 10.343 1.00 0.38 H new ATOM 0 HA VAL A 826 -1.429 -6.405 13.046 1.00 0.45 H new ATOM 0 HB VAL A 826 -1.209 -8.857 12.081 1.00 0.54 H new ATOM 0 HG11 VAL A 826 -3.341 -9.447 13.169 1.00 0.97 H new ATOM 0 HG12 VAL A 826 -2.425 -8.251 14.117 1.00 0.97 H new ATOM 0 HG13 VAL A 826 -3.823 -7.734 13.144 1.00 0.97 H new ATOM 0 HG21 VAL A 826 -3.153 -9.503 10.714 1.00 0.79 H new ATOM 0 HG22 VAL A 826 -3.629 -7.792 10.591 1.00 0.79 H new ATOM 0 HG23 VAL A 826 -2.102 -8.346 9.863 1.00 0.79 H new ATOM 818 N VAL A 827 0.786 -7.443 11.862 1.00 0.37 N ATOM 819 CA VAL A 827 2.131 -7.477 11.302 1.00 0.33 C ATOM 820 C VAL A 827 2.327 -8.700 10.414 1.00 0.30 C ATOM 821 O VAL A 827 2.377 -9.831 10.898 1.00 0.35 O ATOM 822 CB VAL A 827 3.206 -7.481 12.404 1.00 0.41 C ATOM 823 CG1 VAL A 827 4.463 -6.768 11.927 1.00 0.52 C ATOM 824 CG2 VAL A 827 2.675 -6.843 13.679 1.00 0.56 C ATOM 0 H VAL A 827 0.654 -8.037 12.680 1.00 0.37 H new ATOM 0 HA VAL A 827 2.242 -6.573 10.704 1.00 0.33 H new ATOM 0 HB VAL A 827 3.463 -8.517 12.626 1.00 0.41 H new ATOM 0 HG11 VAL A 827 5.211 -6.781 12.719 1.00 0.52 H new ATOM 0 HG12 VAL A 827 4.857 -7.276 11.047 1.00 0.52 H new ATOM 0 HG13 VAL A 827 4.222 -5.736 11.673 1.00 0.52 H new ATOM 0 HG21 VAL A 827 3.452 -6.857 14.444 1.00 0.56 H new ATOM 0 HG22 VAL A 827 2.384 -5.812 13.476 1.00 0.56 H new ATOM 0 HG23 VAL A 827 1.808 -7.402 14.032 1.00 0.56 H new ATOM 834 N LEU A 828 2.439 -8.460 9.112 1.00 0.26 N ATOM 835 CA LEU A 828 2.633 -9.537 8.148 1.00 0.28 C ATOM 836 C LEU A 828 4.092 -9.977 8.121 1.00 0.46 C ATOM 837 O LEU A 828 4.973 -9.216 7.718 1.00 0.60 O ATOM 838 CB LEU A 828 2.193 -9.085 6.754 1.00 0.31 C ATOM 839 CG LEU A 828 2.303 -10.151 5.661 1.00 0.45 C ATOM 840 CD1 LEU A 828 1.010 -10.946 5.557 1.00 0.66 C ATOM 841 CD2 LEU A 828 2.642 -9.509 4.324 1.00 0.81 C ATOM 0 H LEU A 828 2.399 -7.528 8.700 1.00 0.26 H new ATOM 0 HA LEU A 828 2.021 -10.386 8.453 1.00 0.28 H new ATOM 0 HB2 LEU A 828 1.158 -8.748 6.808 1.00 0.31 H new ATOM 0 HB3 LEU A 828 2.794 -8.224 6.462 1.00 0.31 H new ATOM 0 HG LEU A 828 3.107 -10.836 5.929 1.00 0.45 H new ATOM 0 HD11 LEU A 828 1.108 -11.699 4.775 1.00 0.66 H new ATOM 0 HD12 LEU A 828 0.807 -11.436 6.509 1.00 0.66 H new ATOM 0 HD13 LEU A 828 0.188 -10.273 5.313 1.00 0.66 H new ATOM 0 HD21 LEU A 828 2.716 -10.281 3.558 1.00 0.81 H new ATOM 0 HD22 LEU A 828 1.859 -8.802 4.051 1.00 0.81 H new ATOM 0 HD23 LEU A 828 3.594 -8.984 4.403 1.00 0.81 H new ATOM 853 N GLY A 829 4.340 -11.210 8.553 1.00 0.58 N ATOM 854 CA GLY A 829 5.692 -11.734 8.576 1.00 0.81 C ATOM 855 C GLY A 829 6.331 -11.758 7.201 1.00 0.49 C ATOM 856 O GLY A 829 7.266 -11.005 6.930 1.00 0.45 O ATOM 0 H GLY A 829 3.626 -11.856 8.888 1.00 0.58 H new ATOM 0 HA2 GLY A 829 6.302 -11.127 9.245 1.00 0.81 H new ATOM 0 HA3 GLY A 829 5.679 -12.744 8.984 1.00 0.81 H new ATOM 860 N SER A 830 5.825 -12.629 6.332 1.00 0.35 N ATOM 861 CA SER A 830 6.352 -12.754 4.978 1.00 0.23 C ATOM 862 C SER A 830 5.460 -13.665 4.138 1.00 0.19 C ATOM 863 O SER A 830 4.236 -13.632 4.267 1.00 0.20 O ATOM 864 CB SER A 830 7.784 -13.299 5.020 1.00 0.45 C ATOM 865 OG SER A 830 8.698 -12.379 4.448 1.00 1.31 O ATOM 0 H SER A 830 5.050 -13.258 6.542 1.00 0.35 H new ATOM 0 HA SER A 830 6.365 -11.767 4.516 1.00 0.23 H new ATOM 0 HB2 SER A 830 8.068 -13.504 6.052 1.00 0.45 H new ATOM 0 HB3 SER A 830 7.832 -14.246 4.482 1.00 0.45 H new ATOM 0 HG SER A 830 8.299 -11.976 3.649 1.00 1.31 H new ATOM 871 N ASP A 831 6.074 -14.477 3.280 1.00 0.18 N ATOM 872 CA ASP A 831 5.329 -15.395 2.425 1.00 0.18 C ATOM 873 C ASP A 831 4.418 -16.296 3.255 1.00 0.17 C ATOM 874 O ASP A 831 3.429 -16.827 2.749 1.00 0.22 O ATOM 875 CB ASP A 831 6.294 -16.246 1.597 1.00 0.23 C ATOM 876 CG ASP A 831 5.590 -17.353 0.838 1.00 1.33 C ATOM 877 OD1 ASP A 831 5.132 -17.098 -0.296 1.00 2.20 O ATOM 878 OD2 ASP A 831 5.495 -18.475 1.376 1.00 1.77 O ATOM 0 H ASP A 831 7.086 -14.517 3.159 1.00 0.18 H new ATOM 0 HA ASP A 831 4.707 -14.804 1.753 1.00 0.18 H new ATOM 0 HB2 ASP A 831 6.823 -15.606 0.891 1.00 0.23 H new ATOM 0 HB3 ASP A 831 7.045 -16.683 2.256 1.00 0.23 H new ATOM 883 N GLU A 832 4.753 -16.460 4.532 1.00 0.18 N ATOM 884 CA GLU A 832 3.961 -17.293 5.430 1.00 0.21 C ATOM 885 C GLU A 832 2.602 -16.657 5.698 1.00 0.19 C ATOM 886 O GLU A 832 1.576 -17.142 5.219 1.00 0.19 O ATOM 887 CB GLU A 832 4.704 -17.517 6.748 1.00 0.26 C ATOM 888 CG GLU A 832 5.977 -18.333 6.596 1.00 0.92 C ATOM 889 CD GLU A 832 6.633 -18.639 7.928 1.00 1.41 C ATOM 890 OE1 GLU A 832 7.297 -17.738 8.484 1.00 2.21 O ATOM 891 OE2 GLU A 832 6.484 -19.779 8.416 1.00 1.63 O ATOM 0 H GLU A 832 5.567 -16.027 4.967 1.00 0.18 H new ATOM 0 HA GLU A 832 3.804 -18.257 4.947 1.00 0.21 H new ATOM 0 HB2 GLU A 832 4.952 -16.550 7.185 1.00 0.26 H new ATOM 0 HB3 GLU A 832 4.040 -18.022 7.449 1.00 0.26 H new ATOM 0 HG2 GLU A 832 5.747 -19.268 6.085 1.00 0.92 H new ATOM 0 HG3 GLU A 832 6.680 -17.789 5.965 1.00 0.92 H new ATOM 898 N ASP A 833 2.600 -15.563 6.457 1.00 0.19 N ATOM 899 CA ASP A 833 1.362 -14.859 6.776 1.00 0.19 C ATOM 900 C ASP A 833 0.679 -14.379 5.508 1.00 0.18 C ATOM 901 O ASP A 833 -0.489 -13.995 5.528 1.00 0.18 O ATOM 902 CB ASP A 833 1.642 -13.671 7.701 1.00 0.22 C ATOM 903 CG ASP A 833 1.605 -14.057 9.167 1.00 0.41 C ATOM 904 OD1 ASP A 833 2.382 -14.952 9.565 1.00 0.73 O ATOM 905 OD2 ASP A 833 0.798 -13.468 9.916 1.00 0.73 O ATOM 0 H ASP A 833 3.439 -15.147 6.861 1.00 0.19 H new ATOM 0 HA ASP A 833 0.699 -15.555 7.290 1.00 0.19 H new ATOM 0 HB2 ASP A 833 2.620 -13.252 7.463 1.00 0.22 H new ATOM 0 HB3 ASP A 833 0.906 -12.889 7.516 1.00 0.22 H new ATOM 910 N TRP A 834 1.408 -14.416 4.398 1.00 0.17 N ATOM 911 CA TRP A 834 0.858 -13.999 3.119 1.00 0.17 C ATOM 912 C TRP A 834 0.006 -15.114 2.530 1.00 0.17 C ATOM 913 O TRP A 834 -1.107 -14.877 2.061 1.00 0.19 O ATOM 914 CB TRP A 834 1.977 -13.610 2.152 1.00 0.19 C ATOM 915 CG TRP A 834 1.496 -12.948 0.890 1.00 0.17 C ATOM 916 CD1 TRP A 834 2.104 -12.999 -0.332 1.00 0.17 C ATOM 917 CD2 TRP A 834 0.322 -12.137 0.715 1.00 0.19 C ATOM 918 NE1 TRP A 834 1.391 -12.269 -1.250 1.00 0.17 N ATOM 919 CE2 TRP A 834 0.292 -11.735 -0.634 1.00 0.19 C ATOM 920 CE3 TRP A 834 -0.706 -11.711 1.565 1.00 0.23 C ATOM 921 CZ2 TRP A 834 -0.722 -10.932 -1.150 1.00 0.23 C ATOM 922 CZ3 TRP A 834 -1.711 -10.915 1.051 1.00 0.26 C ATOM 923 CH2 TRP A 834 -1.713 -10.533 -0.296 1.00 0.26 C ATOM 0 H TRP A 834 2.378 -14.730 4.361 1.00 0.17 H new ATOM 0 HA TRP A 834 0.228 -13.124 3.278 1.00 0.17 H new ATOM 0 HB2 TRP A 834 2.666 -12.937 2.662 1.00 0.19 H new ATOM 0 HB3 TRP A 834 2.542 -14.504 1.888 1.00 0.19 H new ATOM 0 HD1 TRP A 834 3.016 -13.537 -0.546 1.00 0.17 H new ATOM 0 HE1 TRP A 834 1.640 -12.145 -2.231 1.00 0.17 H new ATOM 0 HE3 TRP A 834 -0.713 -12.000 2.606 1.00 0.23 H new ATOM 0 HZ2 TRP A 834 -0.726 -10.635 -2.188 1.00 0.23 H new ATOM 0 HZ3 TRP A 834 -2.508 -10.582 1.699 1.00 0.26 H new ATOM 0 HH2 TRP A 834 -2.513 -9.911 -0.668 1.00 0.26 H new ATOM 934 N ASN A 835 0.531 -16.333 2.578 1.00 0.18 N ATOM 935 CA ASN A 835 -0.183 -17.495 2.067 1.00 0.20 C ATOM 936 C ASN A 835 -1.400 -17.789 2.935 1.00 0.20 C ATOM 937 O ASN A 835 -2.437 -18.237 2.444 1.00 0.23 O ATOM 938 CB ASN A 835 0.740 -18.714 2.027 1.00 0.23 C ATOM 939 CG ASN A 835 1.510 -18.809 0.726 1.00 1.38 C ATOM 940 OD1 ASN A 835 0.923 -18.947 -0.347 1.00 1.90 O ATOM 941 ND2 ASN A 835 2.833 -18.735 0.814 1.00 1.98 N ATOM 0 H ASN A 835 1.451 -16.542 2.967 1.00 0.18 H new ATOM 0 HA ASN A 835 -0.517 -17.277 1.053 1.00 0.20 H new ATOM 0 HB2 ASN A 835 1.442 -18.663 2.859 1.00 0.23 H new ATOM 0 HB3 ASN A 835 0.149 -19.619 2.164 1.00 0.23 H new ATOM 0 HD21 ASN A 835 3.404 -18.793 -0.029 1.00 1.98 H new ATOM 0 HD22 ASN A 835 3.278 -18.620 1.725 1.00 1.98 H new ATOM 948 N VAL A 836 -1.270 -17.513 4.231 1.00 0.20 N ATOM 949 CA VAL A 836 -2.360 -17.728 5.170 1.00 0.22 C ATOM 950 C VAL A 836 -3.424 -16.658 4.981 1.00 0.22 C ATOM 951 O VAL A 836 -4.602 -16.965 4.798 1.00 0.27 O ATOM 952 CB VAL A 836 -1.870 -17.706 6.631 1.00 0.24 C ATOM 953 CG1 VAL A 836 -2.968 -18.180 7.570 1.00 0.67 C ATOM 954 CG2 VAL A 836 -0.621 -18.559 6.788 1.00 0.62 C ATOM 0 H VAL A 836 -0.419 -17.140 4.651 1.00 0.20 H new ATOM 0 HA VAL A 836 -2.779 -18.714 4.967 1.00 0.22 H new ATOM 0 HB VAL A 836 -1.617 -16.679 6.894 1.00 0.24 H new ATOM 0 HG11 VAL A 836 -2.603 -18.158 8.597 1.00 0.67 H new ATOM 0 HG12 VAL A 836 -3.834 -17.524 7.478 1.00 0.67 H new ATOM 0 HG13 VAL A 836 -3.255 -19.199 7.309 1.00 0.67 H new ATOM 0 HG21 VAL A 836 -0.290 -18.531 7.826 1.00 0.62 H new ATOM 0 HG22 VAL A 836 -0.845 -19.588 6.506 1.00 0.62 H new ATOM 0 HG23 VAL A 836 0.168 -18.170 6.145 1.00 0.62 H new ATOM 964 N ALA A 837 -2.994 -15.398 5.002 1.00 0.20 N ATOM 965 CA ALA A 837 -3.910 -14.281 4.809 1.00 0.20 C ATOM 966 C ALA A 837 -4.622 -14.412 3.468 1.00 0.20 C ATOM 967 O ALA A 837 -5.740 -13.925 3.293 1.00 0.21 O ATOM 968 CB ALA A 837 -3.169 -12.955 4.885 1.00 0.22 C ATOM 0 H ALA A 837 -2.022 -15.128 5.150 1.00 0.20 H new ATOM 0 HA ALA A 837 -4.652 -14.303 5.607 1.00 0.20 H new ATOM 0 HB1 ALA A 837 -3.873 -12.136 4.738 1.00 0.22 H new ATOM 0 HB2 ALA A 837 -2.697 -12.857 5.863 1.00 0.22 H new ATOM 0 HB3 ALA A 837 -2.405 -12.920 4.109 1.00 0.22 H new ATOM 974 N LYS A 838 -3.966 -15.087 2.525 1.00 0.21 N ATOM 975 CA LYS A 838 -4.531 -15.299 1.199 1.00 0.24 C ATOM 976 C LYS A 838 -5.737 -16.228 1.279 1.00 0.24 C ATOM 977 O LYS A 838 -6.781 -15.956 0.690 1.00 0.26 O ATOM 978 CB LYS A 838 -3.477 -15.887 0.263 1.00 0.28 C ATOM 979 CG LYS A 838 -2.792 -14.847 -0.611 1.00 0.38 C ATOM 980 CD LYS A 838 -1.338 -15.208 -0.884 1.00 0.49 C ATOM 981 CE LYS A 838 -1.209 -16.564 -1.560 1.00 0.68 C ATOM 982 NZ LYS A 838 -0.615 -16.454 -2.921 1.00 0.85 N ATOM 0 H LYS A 838 -3.041 -15.496 2.658 1.00 0.21 H new ATOM 0 HA LYS A 838 -4.856 -14.337 0.803 1.00 0.24 H new ATOM 0 HB2 LYS A 838 -2.723 -16.404 0.857 1.00 0.28 H new ATOM 0 HB3 LYS A 838 -3.947 -16.634 -0.376 1.00 0.28 H new ATOM 0 HG2 LYS A 838 -3.328 -14.756 -1.556 1.00 0.38 H new ATOM 0 HG3 LYS A 838 -2.840 -13.874 -0.123 1.00 0.38 H new ATOM 0 HD2 LYS A 838 -0.886 -14.443 -1.515 1.00 0.49 H new ATOM 0 HD3 LYS A 838 -0.783 -15.216 0.054 1.00 0.49 H new ATOM 0 HE2 LYS A 838 -0.590 -17.218 -0.946 1.00 0.68 H new ATOM 0 HE3 LYS A 838 -2.192 -17.029 -1.630 1.00 0.68 H new ATOM 0 HZ1 LYS A 838 -0.116 -17.336 -3.154 1.00 0.85 H new ATOM 0 HZ2 LYS A 838 -1.370 -16.289 -3.617 1.00 0.85 H new ATOM 0 HZ3 LYS A 838 0.056 -15.660 -2.944 1.00 0.85 H new ATOM 996 N GLU A 839 -5.585 -17.322 2.021 1.00 0.26 N ATOM 997 CA GLU A 839 -6.667 -18.288 2.189 1.00 0.29 C ATOM 998 C GLU A 839 -7.855 -17.633 2.884 1.00 0.27 C ATOM 999 O GLU A 839 -9.003 -18.037 2.690 1.00 0.31 O ATOM 1000 CB GLU A 839 -6.187 -19.494 2.999 1.00 0.34 C ATOM 1001 CG GLU A 839 -6.271 -20.809 2.242 1.00 0.71 C ATOM 1002 CD GLU A 839 -7.311 -21.749 2.822 1.00 1.28 C ATOM 1003 OE1 GLU A 839 -8.510 -21.557 2.532 1.00 1.82 O ATOM 1004 OE2 GLU A 839 -6.925 -22.678 3.563 1.00 1.95 O ATOM 0 H GLU A 839 -4.725 -17.561 2.514 1.00 0.26 H new ATOM 0 HA GLU A 839 -6.979 -18.631 1.203 1.00 0.29 H new ATOM 0 HB2 GLU A 839 -5.155 -19.327 3.306 1.00 0.34 H new ATOM 0 HB3 GLU A 839 -6.782 -19.570 3.909 1.00 0.34 H new ATOM 0 HG2 GLU A 839 -6.510 -20.608 1.198 1.00 0.71 H new ATOM 0 HG3 GLU A 839 -5.296 -21.297 2.258 1.00 0.71 H new ATOM 1011 N MET A 840 -7.567 -16.618 3.691 1.00 0.25 N ATOM 1012 CA MET A 840 -8.600 -15.892 4.417 1.00 0.24 C ATOM 1013 C MET A 840 -9.408 -15.019 3.462 1.00 0.24 C ATOM 1014 O MET A 840 -10.619 -14.864 3.615 1.00 0.27 O ATOM 1015 CB MET A 840 -7.964 -15.036 5.518 1.00 0.24 C ATOM 1016 CG MET A 840 -8.808 -13.845 5.950 1.00 0.26 C ATOM 1017 SD MET A 840 -7.835 -12.566 6.767 1.00 0.30 S ATOM 1018 CE MET A 840 -7.174 -11.682 5.354 1.00 0.27 C ATOM 0 H MET A 840 -6.620 -16.278 3.859 1.00 0.25 H new ATOM 0 HA MET A 840 -9.276 -16.611 4.879 1.00 0.24 H new ATOM 0 HB2 MET A 840 -7.773 -15.666 6.387 1.00 0.24 H new ATOM 0 HB3 MET A 840 -6.997 -14.674 5.168 1.00 0.24 H new ATOM 0 HG2 MET A 840 -9.302 -13.419 5.077 1.00 0.26 H new ATOM 0 HG3 MET A 840 -9.593 -14.186 6.625 1.00 0.26 H new ATOM 0 HE1 MET A 840 -6.230 -11.211 5.629 1.00 0.27 H new ATOM 0 HE2 MET A 840 -7.006 -12.380 4.534 1.00 0.27 H new ATOM 0 HE3 MET A 840 -7.884 -10.917 5.039 1.00 0.27 H new ATOM 1028 N LEU A 841 -8.722 -14.453 2.473 1.00 0.22 N ATOM 1029 CA LEU A 841 -9.368 -13.598 1.486 1.00 0.24 C ATOM 1030 C LEU A 841 -10.193 -14.426 0.509 1.00 0.24 C ATOM 1031 O LEU A 841 -11.348 -14.108 0.232 1.00 0.28 O ATOM 1032 CB LEU A 841 -8.319 -12.783 0.727 1.00 0.26 C ATOM 1033 CG LEU A 841 -7.706 -11.626 1.514 1.00 0.32 C ATOM 1034 CD1 LEU A 841 -6.216 -11.514 1.224 1.00 0.47 C ATOM 1035 CD2 LEU A 841 -8.414 -10.322 1.182 1.00 0.38 C ATOM 0 H LEU A 841 -7.718 -14.572 2.335 1.00 0.22 H new ATOM 0 HA LEU A 841 -10.038 -12.917 2.010 1.00 0.24 H new ATOM 0 HB2 LEU A 841 -7.519 -13.453 0.412 1.00 0.26 H new ATOM 0 HB3 LEU A 841 -8.776 -12.385 -0.179 1.00 0.26 H new ATOM 0 HG LEU A 841 -7.835 -11.826 2.578 1.00 0.32 H new ATOM 0 HD11 LEU A 841 -5.796 -10.685 1.793 1.00 0.47 H new ATOM 0 HD12 LEU A 841 -5.719 -12.440 1.512 1.00 0.47 H new ATOM 0 HD13 LEU A 841 -6.065 -11.337 0.159 1.00 0.47 H new ATOM 0 HD21 LEU A 841 -7.964 -9.509 1.752 1.00 0.38 H new ATOM 0 HD22 LEU A 841 -8.316 -10.116 0.116 1.00 0.38 H new ATOM 0 HD23 LEU A 841 -9.470 -10.405 1.440 1.00 0.38 H new ATOM 1047 N ALA A 842 -9.590 -15.493 -0.007 1.00 0.30 N ATOM 1048 CA ALA A 842 -10.265 -16.373 -0.954 1.00 0.35 C ATOM 1049 C ALA A 842 -11.471 -17.045 -0.312 1.00 0.36 C ATOM 1050 O ALA A 842 -12.411 -17.444 -1.000 1.00 0.49 O ATOM 1051 CB ALA A 842 -9.303 -17.422 -1.475 1.00 0.49 C ATOM 0 H ALA A 842 -8.634 -15.769 0.216 1.00 0.30 H new ATOM 0 HA ALA A 842 -10.615 -15.765 -1.788 1.00 0.35 H new ATOM 0 HB1 ALA A 842 -9.820 -18.072 -2.181 1.00 0.49 H new ATOM 0 HB2 ALA A 842 -8.468 -16.933 -1.977 1.00 0.49 H new ATOM 0 HB3 ALA A 842 -8.927 -18.017 -0.642 1.00 0.49 H new ATOM 1057 N GLU A 843 -11.441 -17.161 1.011 1.00 0.34 N ATOM 1058 CA GLU A 843 -12.534 -17.776 1.751 1.00 0.42 C ATOM 1059 C GLU A 843 -13.799 -16.933 1.632 1.00 0.53 C ATOM 1060 O GLU A 843 -14.845 -17.280 2.184 1.00 0.69 O ATOM 1061 CB GLU A 843 -12.152 -17.939 3.223 1.00 0.45 C ATOM 1062 CG GLU A 843 -12.831 -19.116 3.903 1.00 0.57 C ATOM 1063 CD GLU A 843 -12.434 -19.255 5.360 1.00 1.05 C ATOM 1064 OE1 GLU A 843 -12.923 -18.457 6.187 1.00 1.36 O ATOM 1065 OE2 GLU A 843 -11.635 -20.162 5.673 1.00 1.68 O ATOM 0 H GLU A 843 -10.669 -16.836 1.593 1.00 0.34 H new ATOM 0 HA GLU A 843 -12.727 -18.760 1.325 1.00 0.42 H new ATOM 0 HB2 GLU A 843 -11.071 -18.062 3.297 1.00 0.45 H new ATOM 0 HB3 GLU A 843 -12.407 -17.025 3.759 1.00 0.45 H new ATOM 0 HG2 GLU A 843 -13.912 -18.996 3.835 1.00 0.57 H new ATOM 0 HG3 GLU A 843 -12.578 -20.034 3.372 1.00 0.57 H new ATOM 1072 N ASN A 844 -13.693 -15.825 0.903 1.00 0.54 N ATOM 1073 CA ASN A 844 -14.823 -14.923 0.702 1.00 0.77 C ATOM 1074 C ASN A 844 -14.774 -14.300 -0.689 1.00 0.81 C ATOM 1075 O ASN A 844 -15.423 -13.285 -0.946 1.00 1.48 O ATOM 1076 CB ASN A 844 -14.823 -13.822 1.765 1.00 0.89 C ATOM 1077 CG ASN A 844 -14.553 -14.355 3.159 1.00 1.06 C ATOM 1078 OD1 ASN A 844 -13.448 -14.222 3.684 1.00 1.96 O ATOM 1079 ND2 ASN A 844 -15.566 -14.963 3.763 1.00 1.05 N ATOM 0 H ASN A 844 -12.833 -15.530 0.440 1.00 0.54 H new ATOM 0 HA ASN A 844 -15.741 -15.504 0.793 1.00 0.77 H new ATOM 0 HB2 ASN A 844 -14.067 -13.078 1.512 1.00 0.89 H new ATOM 0 HB3 ASN A 844 -15.787 -13.313 1.755 1.00 0.89 H new ATOM 0 HD21 ASN A 844 -15.446 -15.343 4.702 1.00 1.05 H new ATOM 0 HD22 ASN A 844 -16.465 -15.050 3.289 1.00 1.05 H new ATOM 1086 N ASN A 845 -13.999 -14.914 -1.578 1.00 0.49 N ATOM 1087 CA ASN A 845 -13.858 -14.425 -2.947 1.00 0.56 C ATOM 1088 C ASN A 845 -13.319 -12.997 -2.962 1.00 0.48 C ATOM 1089 O ASN A 845 -13.616 -12.220 -3.870 1.00 0.57 O ATOM 1090 CB ASN A 845 -15.200 -14.486 -3.681 1.00 0.73 C ATOM 1091 CG ASN A 845 -15.803 -15.878 -3.670 1.00 1.33 C ATOM 1092 OD1 ASN A 845 -16.041 -16.457 -2.609 1.00 1.99 O ATOM 1093 ND2 ASN A 845 -16.055 -16.423 -4.854 1.00 1.97 N ATOM 0 H ASN A 845 -13.457 -15.754 -1.375 1.00 0.49 H new ATOM 0 HA ASN A 845 -13.145 -15.069 -3.462 1.00 0.56 H new ATOM 0 HB2 ASN A 845 -15.897 -13.788 -3.217 1.00 0.73 H new ATOM 0 HB3 ASN A 845 -15.062 -14.161 -4.712 1.00 0.73 H new ATOM 0 HD21 ASN A 845 -16.462 -17.357 -4.909 1.00 1.97 H new ATOM 0 HD22 ASN A 845 -15.842 -15.908 -5.708 1.00 1.97 H new ATOM 1100 N GLU A 846 -12.525 -12.660 -1.950 1.00 0.35 N ATOM 1101 CA GLU A 846 -11.943 -11.325 -1.844 1.00 0.31 C ATOM 1102 C GLU A 846 -10.661 -11.225 -2.666 1.00 0.30 C ATOM 1103 O GLU A 846 -10.013 -12.233 -2.949 1.00 0.49 O ATOM 1104 CB GLU A 846 -11.652 -10.989 -0.381 1.00 0.33 C ATOM 1105 CG GLU A 846 -12.626 -9.985 0.217 1.00 0.44 C ATOM 1106 CD GLU A 846 -13.040 -10.342 1.632 1.00 1.38 C ATOM 1107 OE1 GLU A 846 -12.463 -11.294 2.200 1.00 1.69 O ATOM 1108 OE2 GLU A 846 -13.942 -9.670 2.174 1.00 2.30 O ATOM 0 H GLU A 846 -12.270 -13.292 -1.192 1.00 0.35 H new ATOM 0 HA GLU A 846 -12.663 -10.608 -2.238 1.00 0.31 H new ATOM 0 HB2 GLU A 846 -11.682 -11.906 0.207 1.00 0.33 H new ATOM 0 HB3 GLU A 846 -10.640 -10.592 -0.302 1.00 0.33 H new ATOM 0 HG2 GLU A 846 -12.168 -8.996 0.215 1.00 0.44 H new ATOM 0 HG3 GLU A 846 -13.514 -9.927 -0.413 1.00 0.44 H new ATOM 1115 N LYS A 847 -10.302 -10.003 -3.044 1.00 0.27 N ATOM 1116 CA LYS A 847 -9.096 -9.771 -3.832 1.00 0.31 C ATOM 1117 C LYS A 847 -8.490 -8.408 -3.515 1.00 0.36 C ATOM 1118 O LYS A 847 -7.616 -7.924 -4.234 1.00 0.67 O ATOM 1119 CB LYS A 847 -9.411 -9.862 -5.328 1.00 0.38 C ATOM 1120 CG LYS A 847 -10.751 -9.256 -5.707 1.00 0.69 C ATOM 1121 CD LYS A 847 -11.199 -9.713 -7.085 1.00 0.97 C ATOM 1122 CE LYS A 847 -11.897 -11.061 -7.026 1.00 1.32 C ATOM 1123 NZ LYS A 847 -11.967 -11.710 -8.363 1.00 1.98 N ATOM 0 H LYS A 847 -10.828 -9.159 -2.818 1.00 0.27 H new ATOM 0 HA LYS A 847 -8.371 -10.542 -3.571 1.00 0.31 H new ATOM 0 HB2 LYS A 847 -8.623 -9.358 -5.888 1.00 0.38 H new ATOM 0 HB3 LYS A 847 -9.397 -10.909 -5.630 1.00 0.38 H new ATOM 0 HG2 LYS A 847 -11.501 -9.537 -4.968 1.00 0.69 H new ATOM 0 HG3 LYS A 847 -10.678 -8.169 -5.689 1.00 0.69 H new ATOM 0 HD2 LYS A 847 -11.873 -8.972 -7.514 1.00 0.97 H new ATOM 0 HD3 LYS A 847 -10.335 -9.778 -7.746 1.00 0.97 H new ATOM 0 HE2 LYS A 847 -11.367 -11.714 -6.333 1.00 1.32 H new ATOM 0 HE3 LYS A 847 -12.905 -10.931 -6.633 1.00 1.32 H new ATOM 0 HZ1 LYS A 847 -12.450 -12.627 -8.279 1.00 1.98 H new ATOM 0 HZ2 LYS A 847 -12.495 -11.099 -9.018 1.00 1.98 H new ATOM 0 HZ3 LYS A 847 -11.004 -11.858 -8.728 1.00 1.98 H new ATOM 1137 N PHE A 848 -8.960 -7.794 -2.434 1.00 0.32 N ATOM 1138 CA PHE A 848 -8.462 -6.486 -2.022 1.00 0.37 C ATOM 1139 C PHE A 848 -7.777 -6.572 -0.661 1.00 0.30 C ATOM 1140 O PHE A 848 -8.412 -6.890 0.344 1.00 0.39 O ATOM 1141 CB PHE A 848 -9.608 -5.473 -1.976 1.00 0.50 C ATOM 1142 CG PHE A 848 -10.331 -5.329 -3.286 1.00 0.52 C ATOM 1143 CD1 PHE A 848 -11.415 -6.139 -3.587 1.00 0.82 C ATOM 1144 CD2 PHE A 848 -9.930 -4.382 -4.215 1.00 0.92 C ATOM 1145 CE1 PHE A 848 -12.083 -6.009 -4.789 1.00 1.02 C ATOM 1146 CE2 PHE A 848 -10.596 -4.245 -5.419 1.00 1.09 C ATOM 1147 CZ PHE A 848 -11.667 -5.064 -5.709 1.00 0.98 C ATOM 0 H PHE A 848 -9.684 -8.180 -1.828 1.00 0.32 H new ATOM 0 HA PHE A 848 -7.727 -6.153 -2.755 1.00 0.37 H new ATOM 0 HB2 PHE A 848 -10.320 -5.776 -1.208 1.00 0.50 H new ATOM 0 HB3 PHE A 848 -9.213 -4.502 -1.679 1.00 0.50 H new ATOM 0 HD1 PHE A 848 -11.741 -6.881 -2.873 1.00 0.82 H new ATOM 0 HD2 PHE A 848 -9.087 -3.743 -3.996 1.00 0.92 H new ATOM 0 HE1 PHE A 848 -12.928 -6.644 -5.010 1.00 1.02 H new ATOM 0 HE2 PHE A 848 -10.278 -3.498 -6.131 1.00 1.09 H new ATOM 0 HZ PHE A 848 -12.181 -4.967 -6.654 1.00 0.98 H new ATOM 1157 N LEU A 849 -6.477 -6.292 -0.641 1.00 0.27 N ATOM 1158 CA LEU A 849 -5.703 -6.346 0.597 1.00 0.23 C ATOM 1159 C LEU A 849 -5.302 -4.946 1.061 1.00 0.24 C ATOM 1160 O LEU A 849 -4.703 -4.178 0.308 1.00 0.32 O ATOM 1161 CB LEU A 849 -4.456 -7.218 0.400 1.00 0.26 C ATOM 1162 CG LEU A 849 -3.938 -7.947 1.650 1.00 0.31 C ATOM 1163 CD1 LEU A 849 -2.966 -7.067 2.416 1.00 0.53 C ATOM 1164 CD2 LEU A 849 -5.087 -8.384 2.552 1.00 0.74 C ATOM 0 H LEU A 849 -5.938 -6.026 -1.465 1.00 0.27 H new ATOM 0 HA LEU A 849 -6.331 -6.789 1.371 1.00 0.23 H new ATOM 0 HB2 LEU A 849 -4.675 -7.962 -0.366 1.00 0.26 H new ATOM 0 HB3 LEU A 849 -3.655 -6.589 0.013 1.00 0.26 H new ATOM 0 HG LEU A 849 -3.412 -8.843 1.320 1.00 0.31 H new ATOM 0 HD11 LEU A 849 -2.610 -7.600 3.298 1.00 0.53 H new ATOM 0 HD12 LEU A 849 -2.119 -6.817 1.776 1.00 0.53 H new ATOM 0 HD13 LEU A 849 -3.470 -6.151 2.725 1.00 0.53 H new ATOM 0 HD21 LEU A 849 -4.688 -8.897 3.427 1.00 0.74 H new ATOM 0 HD22 LEU A 849 -5.653 -7.508 2.871 1.00 0.74 H new ATOM 0 HD23 LEU A 849 -5.743 -9.060 2.004 1.00 0.74 H new ATOM 1176 N ASN A 850 -5.641 -4.627 2.310 1.00 0.23 N ATOM 1177 CA ASN A 850 -5.326 -3.323 2.893 1.00 0.29 C ATOM 1178 C ASN A 850 -3.872 -3.265 3.354 1.00 0.30 C ATOM 1179 O ASN A 850 -3.233 -4.298 3.549 1.00 0.43 O ATOM 1180 CB ASN A 850 -6.256 -3.042 4.075 1.00 0.37 C ATOM 1181 CG ASN A 850 -7.442 -2.181 3.690 1.00 0.64 C ATOM 1182 OD1 ASN A 850 -7.410 -1.471 2.686 1.00 1.52 O ATOM 1183 ND2 ASN A 850 -8.498 -2.236 4.494 1.00 0.92 N ATOM 0 H ASN A 850 -6.136 -5.258 2.940 1.00 0.23 H new ATOM 0 HA ASN A 850 -5.473 -2.563 2.126 1.00 0.29 H new ATOM 0 HB2 ASN A 850 -6.615 -3.987 4.483 1.00 0.37 H new ATOM 0 HB3 ASN A 850 -5.693 -2.546 4.866 1.00 0.37 H new ATOM 0 HD21 ASN A 850 -9.325 -1.675 4.289 1.00 0.92 H new ATOM 0 HD22 ASN A 850 -8.482 -2.839 5.317 1.00 0.92 H new ATOM 1190 N ILE A 851 -3.351 -2.050 3.527 1.00 0.31 N ATOM 1191 CA ILE A 851 -1.970 -1.869 3.967 1.00 0.36 C ATOM 1192 C ILE A 851 -1.870 -0.855 5.105 1.00 0.53 C ATOM 1193 O ILE A 851 -2.793 -0.073 5.330 1.00 0.71 O ATOM 1194 CB ILE A 851 -1.064 -1.442 2.806 1.00 0.41 C ATOM 1195 CG1 ILE A 851 -1.330 -2.341 1.615 1.00 0.54 C ATOM 1196 CG2 ILE A 851 0.401 -1.514 3.198 1.00 0.53 C ATOM 1197 CD1 ILE A 851 -0.801 -1.805 0.304 1.00 1.04 C ATOM 0 H ILE A 851 -3.862 -1.182 3.370 1.00 0.31 H new ATOM 0 HA ILE A 851 -1.628 -2.836 4.337 1.00 0.36 H new ATOM 0 HB ILE A 851 -1.288 -0.407 2.547 1.00 0.41 H new ATOM 0 HG12 ILE A 851 -0.882 -3.317 1.803 1.00 0.54 H new ATOM 0 HG13 ILE A 851 -2.405 -2.496 1.524 1.00 0.54 H new ATOM 0 HG21 ILE A 851 1.019 -1.206 2.355 1.00 0.53 H new ATOM 0 HG22 ILE A 851 0.584 -0.851 4.044 1.00 0.53 H new ATOM 0 HG23 ILE A 851 0.653 -2.537 3.477 1.00 0.53 H new ATOM 0 HD11 ILE A 851 -1.033 -2.508 -0.496 1.00 1.04 H new ATOM 0 HD12 ILE A 851 -1.267 -0.844 0.089 1.00 1.04 H new ATOM 0 HD13 ILE A 851 0.279 -1.677 0.373 1.00 1.04 H new