USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=9 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 782 THR OG1 : rot 170:sc= -0.251 USER MOD Set 1.2: A 850 ASN : amide:sc= -2.47! K(o=-2.7!,f=-0.71) USER MOD Single : A 787 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 790 ASN : amide:sc= -1.33! K(o=-1.3!,f=0.19) USER MOD Single : A 796 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 799 ASN : amide:sc= -1.73 K(o=-1.7,f=-0.76) 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 803 SER OG : rot -23:sc= 1.23 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+ 170:sc= -0.0286 (180deg=-0.128) USER MOD Single : A 818 TYR OH : rot -31:sc= 0.0284 USER MOD Single : A 819 GLN : amide:sc= -1.5 K(o=-1.5,f=-0.74) USER MOD Single : A 830 SER OG : rot 102:sc= 0.00548 USER MOD Single : A 835 ASN : amide:sc= 0.163 X(o=0.16,f=-0.024) USER MOD Single : A 838 LYS NZ :NH3+ -162:sc= 0.982 (180deg=0.715) USER MOD Single : A 840 MET CE :methyl -122:sc= -1.16 (180deg=-2.03!) USER MOD Single : A 844 ASN : amide:sc= -0.497 X(o=-0.5,f=-0.7) USER MOD Single : A 845 ASN : amide:sc= -0.676 K(o=-0.68,f=0) USER MOD Single : A 847 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N ILE A 780 -5.469 4.118 4.020 1.00 0.79 N ATOM 56 CA ILE A 780 -5.112 2.738 3.711 1.00 0.51 C ATOM 57 C ILE A 780 -4.657 2.606 2.263 1.00 0.46 C ATOM 58 O ILE A 780 -4.715 3.567 1.494 1.00 0.53 O ATOM 59 CB ILE A 780 -6.294 1.774 3.953 1.00 0.43 C ATOM 60 CG1 ILE A 780 -7.502 2.526 4.519 1.00 0.64 C ATOM 61 CG2 ILE A 780 -5.878 0.652 4.893 1.00 0.58 C ATOM 62 CD1 ILE A 780 -8.415 3.092 3.453 1.00 1.22 C ATOM 0 HA ILE A 780 -4.295 2.468 4.379 1.00 0.51 H new ATOM 0 HB ILE A 780 -6.582 1.339 2.996 1.00 0.43 H new ATOM 0 HG12 ILE A 780 -8.074 1.851 5.155 1.00 0.64 H new ATOM 0 HG13 ILE A 780 -7.149 3.339 5.153 1.00 0.64 H new ATOM 0 HG21 ILE A 780 -6.722 -0.019 5.054 1.00 0.58 H new ATOM 0 HG22 ILE A 780 -5.051 0.096 4.452 1.00 0.58 H new ATOM 0 HG23 ILE A 780 -5.563 1.075 5.847 1.00 0.58 H new ATOM 0 HD11 ILE A 780 -9.249 3.611 3.926 1.00 1.22 H new ATOM 0 HD12 ILE A 780 -7.858 3.792 2.831 1.00 1.22 H new ATOM 0 HD13 ILE A 780 -8.797 2.281 2.833 1.00 1.22 H new ATOM 74 N PHE A 781 -4.212 1.409 1.893 1.00 0.39 N ATOM 75 CA PHE A 781 -3.757 1.149 0.537 1.00 0.36 C ATOM 76 C PHE A 781 -4.188 -0.247 0.111 1.00 0.30 C ATOM 77 O PHE A 781 -3.428 -1.209 0.224 1.00 0.35 O ATOM 78 CB PHE A 781 -2.235 1.295 0.450 1.00 0.41 C ATOM 79 CG PHE A 781 -1.759 2.031 -0.772 1.00 0.45 C ATOM 80 CD1 PHE A 781 -2.264 3.284 -1.081 1.00 0.73 C ATOM 81 CD2 PHE A 781 -0.810 1.469 -1.613 1.00 0.81 C ATOM 82 CE1 PHE A 781 -1.831 3.963 -2.204 1.00 0.80 C ATOM 83 CE2 PHE A 781 -0.374 2.144 -2.736 1.00 0.94 C ATOM 84 CZ PHE A 781 -0.876 3.390 -3.030 1.00 0.73 C ATOM 0 H PHE A 781 -4.158 0.604 2.517 1.00 0.39 H new ATOM 0 HA PHE A 781 -4.207 1.877 -0.138 1.00 0.36 H new ATOM 0 HB2 PHE A 781 -1.879 1.818 1.338 1.00 0.41 H new ATOM 0 HB3 PHE A 781 -1.784 0.303 0.462 1.00 0.41 H new ATOM 0 HD1 PHE A 781 -3.004 3.735 -0.437 1.00 0.73 H new ATOM 0 HD2 PHE A 781 -0.408 0.493 -1.387 1.00 0.81 H new ATOM 0 HE1 PHE A 781 -2.235 4.937 -2.438 1.00 0.80 H new ATOM 0 HE2 PHE A 781 0.362 1.693 -3.384 1.00 0.94 H new ATOM 0 HZ PHE A 781 -0.527 3.921 -3.903 1.00 0.73 H new ATOM 94 N THR A 782 -5.423 -0.350 -0.358 1.00 0.28 N ATOM 95 CA THR A 782 -5.979 -1.629 -0.781 1.00 0.29 C ATOM 96 C THR A 782 -5.888 -1.803 -2.290 1.00 0.35 C ATOM 97 O THR A 782 -6.392 -0.982 -3.055 1.00 0.52 O ATOM 98 CB THR A 782 -7.450 -1.767 -0.351 1.00 0.41 C ATOM 99 OG1 THR A 782 -7.670 -1.075 0.883 1.00 0.67 O ATOM 100 CG2 THR A 782 -7.834 -3.232 -0.190 1.00 0.44 C ATOM 0 H THR A 782 -6.062 0.439 -0.456 1.00 0.28 H new ATOM 0 HA THR A 782 -5.387 -2.404 -0.295 1.00 0.29 H new ATOM 0 HB THR A 782 -8.073 -1.327 -1.130 1.00 0.41 H new ATOM 0 HG1 THR A 782 -8.632 -1.031 1.066 1.00 0.67 H new ATOM 0 HG21 THR A 782 -8.878 -3.303 0.114 1.00 0.44 H new ATOM 0 HG22 THR A 782 -7.696 -3.751 -1.139 1.00 0.44 H new ATOM 0 HG23 THR A 782 -7.202 -3.692 0.570 1.00 0.44 H new ATOM 108 N LEU A 783 -5.241 -2.886 -2.707 1.00 0.40 N ATOM 109 CA LEU A 783 -5.081 -3.185 -4.126 1.00 0.56 C ATOM 110 C LEU A 783 -5.745 -4.510 -4.475 1.00 0.58 C ATOM 111 O LEU A 783 -6.526 -5.049 -3.692 1.00 0.99 O ATOM 112 CB LEU A 783 -3.596 -3.236 -4.503 1.00 0.67 C ATOM 113 CG LEU A 783 -2.638 -2.608 -3.489 1.00 0.94 C ATOM 114 CD1 LEU A 783 -1.495 -3.561 -3.181 1.00 1.57 C ATOM 115 CD2 LEU A 783 -2.103 -1.281 -4.008 1.00 1.53 C ATOM 0 H LEU A 783 -4.818 -3.572 -2.082 1.00 0.40 H new ATOM 0 HA LEU A 783 -5.563 -2.389 -4.693 1.00 0.56 H new ATOM 0 HB2 LEU A 783 -3.311 -4.278 -4.649 1.00 0.67 H new ATOM 0 HB3 LEU A 783 -3.465 -2.733 -5.461 1.00 0.67 H new ATOM 0 HG LEU A 783 -3.187 -2.417 -2.567 1.00 0.94 H new ATOM 0 HD11 LEU A 783 -0.822 -3.100 -2.458 1.00 1.57 H new ATOM 0 HD12 LEU A 783 -1.895 -4.486 -2.766 1.00 1.57 H new ATOM 0 HD13 LEU A 783 -0.948 -3.781 -4.098 1.00 1.57 H new ATOM 0 HD21 LEU A 783 -1.424 -0.850 -3.273 1.00 1.53 H new ATOM 0 HD22 LEU A 783 -1.568 -1.445 -4.944 1.00 1.53 H new ATOM 0 HD23 LEU A 783 -2.933 -0.596 -4.180 1.00 1.53 H new ATOM 127 N LEU A 784 -5.421 -5.036 -5.650 1.00 0.27 N ATOM 128 CA LEU A 784 -5.977 -6.305 -6.100 1.00 0.26 C ATOM 129 C LEU A 784 -4.868 -7.336 -6.272 1.00 0.23 C ATOM 130 O LEU A 784 -4.103 -7.288 -7.235 1.00 0.29 O ATOM 131 CB LEU A 784 -6.745 -6.119 -7.401 1.00 0.31 C ATOM 132 CG LEU A 784 -7.000 -7.397 -8.205 1.00 0.51 C ATOM 133 CD1 LEU A 784 -8.432 -7.871 -8.007 1.00 0.81 C ATOM 134 CD2 LEU A 784 -6.713 -7.163 -9.680 1.00 0.75 C ATOM 0 H LEU A 784 -4.775 -4.602 -6.309 1.00 0.27 H new ATOM 0 HA LEU A 784 -6.672 -6.669 -5.343 1.00 0.26 H new ATOM 0 HB2 LEU A 784 -7.705 -5.657 -7.173 1.00 0.31 H new ATOM 0 HB3 LEU A 784 -6.195 -5.419 -8.030 1.00 0.31 H new ATOM 0 HG LEU A 784 -6.327 -8.174 -7.844 1.00 0.51 H new ATOM 0 HD11 LEU A 784 -8.597 -8.780 -8.585 1.00 0.81 H new ATOM 0 HD12 LEU A 784 -8.605 -8.076 -6.950 1.00 0.81 H new ATOM 0 HD13 LEU A 784 -9.121 -7.097 -8.344 1.00 0.81 H new ATOM 0 HD21 LEU A 784 -6.899 -8.081 -10.237 1.00 0.75 H new ATOM 0 HD22 LEU A 784 -7.362 -6.372 -10.056 1.00 0.75 H new ATOM 0 HD23 LEU A 784 -5.671 -6.867 -9.806 1.00 0.75 H new ATOM 146 N VAL A 785 -4.779 -8.258 -5.321 1.00 0.25 N ATOM 147 CA VAL A 785 -3.754 -9.290 -5.351 1.00 0.30 C ATOM 148 C VAL A 785 -4.289 -10.596 -5.931 1.00 0.34 C ATOM 149 O VAL A 785 -5.427 -10.662 -6.395 1.00 0.55 O ATOM 150 CB VAL A 785 -3.191 -9.552 -3.942 1.00 0.39 C ATOM 151 CG1 VAL A 785 -2.557 -8.287 -3.380 1.00 1.11 C ATOM 152 CG2 VAL A 785 -4.285 -10.064 -3.016 1.00 1.18 C ATOM 0 H VAL A 785 -5.406 -8.311 -4.519 1.00 0.25 H new ATOM 0 HA VAL A 785 -2.955 -8.923 -5.995 1.00 0.30 H new ATOM 0 HB VAL A 785 -2.420 -10.319 -4.014 1.00 0.39 H new ATOM 0 HG11 VAL A 785 -2.164 -8.489 -2.384 1.00 1.11 H new ATOM 0 HG12 VAL A 785 -1.745 -7.966 -4.032 1.00 1.11 H new ATOM 0 HG13 VAL A 785 -3.308 -7.499 -3.321 1.00 1.11 H new ATOM 0 HG21 VAL A 785 -3.868 -10.244 -2.025 1.00 1.18 H new ATOM 0 HG22 VAL A 785 -5.080 -9.321 -2.946 1.00 1.18 H new ATOM 0 HG23 VAL A 785 -4.691 -10.994 -3.413 1.00 1.18 H new ATOM 162 N GLU A 786 -3.455 -11.631 -5.899 1.00 0.38 N ATOM 163 CA GLU A 786 -3.836 -12.938 -6.422 1.00 0.42 C ATOM 164 C GLU A 786 -3.336 -14.053 -5.508 1.00 0.46 C ATOM 165 O GLU A 786 -2.449 -13.839 -4.680 1.00 0.48 O ATOM 166 CB GLU A 786 -3.272 -13.123 -7.833 1.00 0.43 C ATOM 167 CG GLU A 786 -4.154 -13.969 -8.736 1.00 0.56 C ATOM 168 CD GLU A 786 -4.376 -13.331 -10.094 1.00 0.75 C ATOM 169 OE1 GLU A 786 -3.379 -12.942 -10.738 1.00 1.02 O ATOM 170 OE2 GLU A 786 -5.547 -13.218 -10.512 1.00 1.40 O ATOM 0 H GLU A 786 -2.511 -11.589 -5.516 1.00 0.38 H new ATOM 0 HA GLU A 786 -4.924 -12.989 -6.463 1.00 0.42 H new ATOM 0 HB2 GLU A 786 -3.132 -12.144 -8.290 1.00 0.43 H new ATOM 0 HB3 GLU A 786 -2.288 -13.586 -7.764 1.00 0.43 H new ATOM 0 HG2 GLU A 786 -3.697 -14.950 -8.869 1.00 0.56 H new ATOM 0 HG3 GLU A 786 -5.117 -14.129 -8.251 1.00 0.56 H new ATOM 177 N LYS A 787 -3.910 -15.242 -5.662 1.00 0.51 N ATOM 178 CA LYS A 787 -3.522 -16.391 -4.850 1.00 0.57 C ATOM 179 C LYS A 787 -2.134 -16.889 -5.236 1.00 0.60 C ATOM 180 O LYS A 787 -1.566 -17.758 -4.573 1.00 1.07 O ATOM 181 CB LYS A 787 -4.542 -17.522 -5.006 1.00 0.64 C ATOM 182 CG LYS A 787 -4.573 -18.125 -6.403 1.00 1.29 C ATOM 183 CD LYS A 787 -5.765 -17.620 -7.202 1.00 1.49 C ATOM 184 CE LYS A 787 -5.961 -18.425 -8.477 1.00 2.24 C ATOM 185 NZ LYS A 787 -7.341 -18.972 -8.582 1.00 2.85 N ATOM 0 H LYS A 787 -4.646 -15.435 -6.342 1.00 0.51 H new ATOM 0 HA LYS A 787 -3.497 -16.073 -3.808 1.00 0.57 H new ATOM 0 HB2 LYS A 787 -4.315 -18.307 -4.285 1.00 0.64 H new ATOM 0 HB3 LYS A 787 -5.534 -17.142 -4.761 1.00 0.64 H new ATOM 0 HG2 LYS A 787 -3.650 -17.877 -6.928 1.00 1.29 H new ATOM 0 HG3 LYS A 787 -4.616 -19.212 -6.330 1.00 1.29 H new ATOM 0 HD2 LYS A 787 -6.666 -17.679 -6.591 1.00 1.49 H new ATOM 0 HD3 LYS A 787 -5.618 -16.569 -7.452 1.00 1.49 H new ATOM 0 HE2 LYS A 787 -5.754 -17.793 -9.341 1.00 2.24 H new ATOM 0 HE3 LYS A 787 -5.243 -19.245 -8.503 1.00 2.24 H new ATOM 0 HZ1 LYS A 787 -7.433 -19.514 -9.465 1.00 2.85 H new ATOM 0 HZ2 LYS A 787 -7.530 -19.596 -7.771 1.00 2.85 H new ATOM 0 HZ3 LYS A 787 -8.026 -18.189 -8.583 1.00 2.85 H new ATOM 199 N VAL A 788 -1.595 -16.332 -6.314 1.00 0.29 N ATOM 200 CA VAL A 788 -0.274 -16.714 -6.799 1.00 0.29 C ATOM 201 C VAL A 788 0.780 -15.698 -6.369 1.00 0.26 C ATOM 202 O VAL A 788 1.962 -16.023 -6.250 1.00 0.29 O ATOM 203 CB VAL A 788 -0.264 -16.841 -8.337 1.00 0.32 C ATOM 204 CG1 VAL A 788 -0.853 -15.594 -8.978 1.00 0.31 C ATOM 205 CG2 VAL A 788 1.146 -17.096 -8.852 1.00 0.33 C ATOM 0 H VAL A 788 -2.054 -15.611 -6.871 1.00 0.29 H new ATOM 0 HA VAL A 788 -0.035 -17.683 -6.361 1.00 0.29 H new ATOM 0 HB VAL A 788 -0.883 -17.695 -8.612 1.00 0.32 H new ATOM 0 HG11 VAL A 788 -0.838 -15.701 -10.063 1.00 0.31 H new ATOM 0 HG12 VAL A 788 -1.881 -15.462 -8.640 1.00 0.31 H new ATOM 0 HG13 VAL A 788 -0.263 -14.724 -8.691 1.00 0.31 H new ATOM 0 HG21 VAL A 788 1.127 -17.182 -9.938 1.00 0.33 H new ATOM 0 HG22 VAL A 788 1.794 -16.268 -8.565 1.00 0.33 H new ATOM 0 HG23 VAL A 788 1.529 -18.022 -8.422 1.00 0.33 H new ATOM 215 N TRP A 789 0.341 -14.464 -6.145 1.00 0.21 N ATOM 216 CA TRP A 789 1.240 -13.390 -5.738 1.00 0.18 C ATOM 217 C TRP A 789 2.005 -13.745 -4.473 1.00 0.18 C ATOM 218 O TRP A 789 1.410 -13.997 -3.424 1.00 0.19 O ATOM 219 CB TRP A 789 0.459 -12.101 -5.503 1.00 0.18 C ATOM 220 CG TRP A 789 0.119 -11.381 -6.767 1.00 0.20 C ATOM 221 CD1 TRP A 789 0.073 -11.912 -8.022 1.00 0.22 C ATOM 222 CD2 TRP A 789 -0.215 -9.997 -6.902 1.00 0.22 C ATOM 223 NE1 TRP A 789 -0.270 -10.944 -8.929 1.00 0.25 N ATOM 224 CE2 TRP A 789 -0.453 -9.756 -8.267 1.00 0.25 C ATOM 225 CE3 TRP A 789 -0.337 -8.936 -5.998 1.00 0.24 C ATOM 226 CZ2 TRP A 789 -0.806 -8.499 -8.751 1.00 0.28 C ATOM 227 CZ3 TRP A 789 -0.688 -7.689 -6.478 1.00 0.28 C ATOM 228 CH2 TRP A 789 -0.920 -7.480 -7.844 1.00 0.30 C ATOM 0 H TRP A 789 -0.635 -14.182 -6.239 1.00 0.21 H new ATOM 0 HA TRP A 789 1.956 -13.247 -6.548 1.00 0.18 H new ATOM 0 HB2 TRP A 789 -0.461 -12.334 -4.966 1.00 0.18 H new ATOM 0 HB3 TRP A 789 1.044 -11.441 -4.862 1.00 0.18 H new ATOM 0 HD1 TRP A 789 0.277 -12.944 -8.265 1.00 0.22 H new ATOM 0 HE1 TRP A 789 -0.373 -11.084 -9.934 1.00 0.25 H new ATOM 0 HE3 TRP A 789 -0.160 -9.089 -4.944 1.00 0.24 H new ATOM 0 HZ2 TRP A 789 -0.983 -8.334 -9.803 1.00 0.28 H new ATOM 0 HZ3 TRP A 789 -0.785 -6.862 -5.790 1.00 0.28 H new ATOM 0 HH2 TRP A 789 -1.195 -6.494 -8.189 1.00 0.30 H new ATOM 239 N ASN A 790 3.326 -13.729 -4.567 1.00 0.18 N ATOM 240 CA ASN A 790 4.173 -14.012 -3.421 1.00 0.20 C ATOM 241 C ASN A 790 4.487 -12.706 -2.707 1.00 0.18 C ATOM 242 O ASN A 790 4.267 -11.633 -3.265 1.00 0.20 O ATOM 243 CB ASN A 790 5.469 -14.697 -3.860 1.00 0.24 C ATOM 244 CG ASN A 790 5.370 -15.294 -5.250 1.00 0.93 C ATOM 245 OD1 ASN A 790 5.174 -16.499 -5.408 1.00 1.89 O ATOM 246 ND2 ASN A 790 5.508 -14.450 -6.266 1.00 0.77 N ATOM 0 H ASN A 790 3.834 -13.523 -5.427 1.00 0.18 H new ATOM 0 HA ASN A 790 3.649 -14.687 -2.745 1.00 0.20 H new ATOM 0 HB2 ASN A 790 6.284 -13.974 -3.836 1.00 0.24 H new ATOM 0 HB3 ASN A 790 5.720 -15.483 -3.148 1.00 0.24 H new ATOM 0 HD21 ASN A 790 5.453 -14.793 -7.225 1.00 0.77 H new ATOM 0 HD22 ASN A 790 5.669 -13.459 -6.087 1.00 0.77 H new ATOM 253 N PHE A 791 4.997 -12.788 -1.484 1.00 0.20 N ATOM 254 CA PHE A 791 5.329 -11.584 -0.729 1.00 0.20 C ATOM 255 C PHE A 791 6.214 -10.670 -1.565 1.00 0.16 C ATOM 256 O PHE A 791 6.196 -9.450 -1.404 1.00 0.17 O ATOM 257 CB PHE A 791 6.023 -11.951 0.586 1.00 0.26 C ATOM 258 CG PHE A 791 6.616 -10.775 1.310 1.00 0.35 C ATOM 259 CD1 PHE A 791 5.798 -9.817 1.886 1.00 0.44 C ATOM 260 CD2 PHE A 791 7.991 -10.630 1.415 1.00 0.47 C ATOM 261 CE1 PHE A 791 6.340 -8.735 2.553 1.00 0.57 C ATOM 262 CE2 PHE A 791 8.537 -9.550 2.080 1.00 0.59 C ATOM 263 CZ PHE A 791 7.716 -8.601 2.647 1.00 0.63 C ATOM 0 H PHE A 791 5.188 -13.664 -0.998 1.00 0.20 H new ATOM 0 HA PHE A 791 4.407 -11.054 -0.491 1.00 0.20 H new ATOM 0 HB2 PHE A 791 5.303 -12.443 1.240 1.00 0.26 H new ATOM 0 HB3 PHE A 791 6.812 -12.674 0.380 1.00 0.26 H new ATOM 0 HD1 PHE A 791 4.725 -9.917 1.813 1.00 0.44 H new ATOM 0 HD2 PHE A 791 8.642 -11.369 0.972 1.00 0.47 H new ATOM 0 HE1 PHE A 791 5.693 -7.995 3.000 1.00 0.57 H new ATOM 0 HE2 PHE A 791 9.610 -9.449 2.156 1.00 0.59 H new ATOM 0 HZ PHE A 791 8.143 -7.754 3.164 1.00 0.63 H new ATOM 273 N ASP A 792 6.969 -11.269 -2.479 1.00 0.17 N ATOM 274 CA ASP A 792 7.837 -10.511 -3.363 1.00 0.17 C ATOM 275 C ASP A 792 6.998 -9.712 -4.349 1.00 0.16 C ATOM 276 O ASP A 792 7.064 -8.485 -4.376 1.00 0.19 O ATOM 277 CB ASP A 792 8.782 -11.446 -4.118 1.00 0.22 C ATOM 278 CG ASP A 792 9.440 -12.463 -3.206 1.00 1.17 C ATOM 279 OD1 ASP A 792 10.298 -12.063 -2.392 1.00 1.47 O ATOM 280 OD2 ASP A 792 9.098 -13.661 -3.307 1.00 2.05 O ATOM 0 H ASP A 792 6.995 -12.278 -2.625 1.00 0.17 H new ATOM 0 HA ASP A 792 8.435 -9.826 -2.762 1.00 0.17 H new ATOM 0 HB2 ASP A 792 8.227 -11.967 -4.898 1.00 0.22 H new ATOM 0 HB3 ASP A 792 9.552 -10.856 -4.615 1.00 0.22 H new ATOM 285 N ASP A 793 6.190 -10.419 -5.142 1.00 0.17 N ATOM 286 CA ASP A 793 5.322 -9.775 -6.117 1.00 0.18 C ATOM 287 C ASP A 793 4.438 -8.741 -5.434 1.00 0.17 C ATOM 288 O ASP A 793 4.111 -7.704 -6.013 1.00 0.24 O ATOM 289 CB ASP A 793 4.458 -10.817 -6.829 1.00 0.19 C ATOM 290 CG ASP A 793 5.110 -11.348 -8.091 1.00 0.56 C ATOM 291 OD1 ASP A 793 6.346 -11.221 -8.221 1.00 1.04 O ATOM 292 OD2 ASP A 793 4.383 -11.891 -8.950 1.00 1.07 O ATOM 0 H ASP A 793 6.122 -11.437 -5.124 1.00 0.17 H new ATOM 0 HA ASP A 793 5.944 -9.271 -6.857 1.00 0.18 H new ATOM 0 HB2 ASP A 793 4.261 -11.646 -6.149 1.00 0.19 H new ATOM 0 HB3 ASP A 793 3.494 -10.374 -7.080 1.00 0.19 H new ATOM 297 N LEU A 794 4.072 -9.025 -4.187 1.00 0.14 N ATOM 298 CA LEU A 794 3.243 -8.118 -3.407 1.00 0.15 C ATOM 299 C LEU A 794 3.968 -6.797 -3.202 1.00 0.15 C ATOM 300 O LEU A 794 3.445 -5.728 -3.517 1.00 0.17 O ATOM 301 CB LEU A 794 2.905 -8.736 -2.046 1.00 0.19 C ATOM 302 CG LEU A 794 1.895 -7.950 -1.211 1.00 0.26 C ATOM 303 CD1 LEU A 794 0.579 -7.791 -1.963 1.00 0.93 C ATOM 304 CD2 LEU A 794 1.667 -8.629 0.129 1.00 0.70 C ATOM 0 H LEU A 794 4.338 -9.879 -3.696 1.00 0.14 H new ATOM 0 HA LEU A 794 2.317 -7.941 -3.953 1.00 0.15 H new ATOM 0 HB2 LEU A 794 2.516 -9.741 -2.207 1.00 0.19 H new ATOM 0 HB3 LEU A 794 3.826 -8.839 -1.472 1.00 0.19 H new ATOM 0 HG LEU A 794 2.304 -6.956 -1.028 1.00 0.26 H new ATOM 0 HD11 LEU A 794 -0.125 -7.228 -1.350 1.00 0.93 H new ATOM 0 HD12 LEU A 794 0.755 -7.256 -2.896 1.00 0.93 H new ATOM 0 HD13 LEU A 794 0.164 -8.775 -2.182 1.00 0.93 H new ATOM 0 HD21 LEU A 794 0.945 -8.055 0.710 1.00 0.70 H new ATOM 0 HD22 LEU A 794 1.283 -9.636 -0.034 1.00 0.70 H new ATOM 0 HD23 LEU A 794 2.609 -8.684 0.674 1.00 0.70 H new ATOM 316 N ILE A 795 5.180 -6.889 -2.668 1.00 0.19 N ATOM 317 CA ILE A 795 6.001 -5.713 -2.412 1.00 0.22 C ATOM 318 C ILE A 795 6.252 -4.913 -3.685 1.00 0.21 C ATOM 319 O ILE A 795 6.383 -3.696 -3.631 1.00 0.23 O ATOM 320 CB ILE A 795 7.347 -6.103 -1.775 1.00 0.26 C ATOM 321 CG1 ILE A 795 7.133 -6.669 -0.368 1.00 0.30 C ATOM 322 CG2 ILE A 795 8.295 -4.911 -1.733 1.00 0.28 C ATOM 323 CD1 ILE A 795 6.423 -5.718 0.572 1.00 0.32 C ATOM 0 H ILE A 795 5.617 -7.771 -2.403 1.00 0.19 H new ATOM 0 HA ILE A 795 5.445 -5.087 -1.714 1.00 0.22 H new ATOM 0 HB ILE A 795 7.802 -6.877 -2.393 1.00 0.26 H new ATOM 0 HG12 ILE A 795 6.556 -7.591 -0.441 1.00 0.30 H new ATOM 0 HG13 ILE A 795 8.101 -6.932 0.059 1.00 0.30 H new ATOM 0 HG21 ILE A 795 9.239 -5.213 -1.279 1.00 0.28 H new ATOM 0 HG22 ILE A 795 8.478 -4.556 -2.747 1.00 0.28 H new ATOM 0 HG23 ILE A 795 7.848 -4.111 -1.143 1.00 0.28 H new ATOM 0 HD11 ILE A 795 6.308 -6.189 1.548 1.00 0.32 H new ATOM 0 HD12 ILE A 795 7.009 -4.805 0.677 1.00 0.32 H new ATOM 0 HD13 ILE A 795 5.440 -5.474 0.169 1.00 0.32 H new ATOM 335 N MET A 796 6.317 -5.591 -4.827 1.00 0.23 N ATOM 336 CA MET A 796 6.552 -4.905 -6.097 1.00 0.26 C ATOM 337 C MET A 796 5.380 -3.998 -6.447 1.00 0.23 C ATOM 338 O MET A 796 5.576 -2.836 -6.801 1.00 0.22 O ATOM 339 CB MET A 796 6.786 -5.907 -7.229 1.00 0.36 C ATOM 340 CG MET A 796 7.652 -7.092 -6.838 1.00 0.46 C ATOM 341 SD MET A 796 8.192 -8.054 -8.265 1.00 0.67 S ATOM 342 CE MET A 796 9.160 -9.332 -7.468 1.00 1.53 C ATOM 0 H MET A 796 6.212 -6.603 -4.902 1.00 0.23 H new ATOM 0 HA MET A 796 7.448 -4.296 -5.980 1.00 0.26 H new ATOM 0 HB2 MET A 796 5.822 -6.275 -7.579 1.00 0.36 H new ATOM 0 HB3 MET A 796 7.253 -5.390 -8.067 1.00 0.36 H new ATOM 0 HG2 MET A 796 8.526 -6.735 -6.293 1.00 0.46 H new ATOM 0 HG3 MET A 796 7.094 -7.737 -6.159 1.00 0.46 H new ATOM 0 HE1 MET A 796 9.562 -10.008 -8.223 1.00 1.53 H new ATOM 0 HE2 MET A 796 9.981 -8.875 -6.915 1.00 1.53 H new ATOM 0 HE3 MET A 796 8.527 -9.892 -6.780 1.00 1.53 H new ATOM 352 N ALA A 797 4.164 -4.528 -6.342 1.00 0.26 N ATOM 353 CA ALA A 797 2.969 -3.746 -6.641 1.00 0.30 C ATOM 354 C ALA A 797 2.941 -2.493 -5.779 1.00 0.28 C ATOM 355 O ALA A 797 2.872 -1.372 -6.287 1.00 0.30 O ATOM 356 CB ALA A 797 1.717 -4.580 -6.416 1.00 0.38 C ATOM 0 H ALA A 797 3.981 -5.489 -6.054 1.00 0.26 H new ATOM 0 HA ALA A 797 2.995 -3.449 -7.689 1.00 0.30 H new ATOM 0 HB1 ALA A 797 0.835 -3.981 -6.644 1.00 0.38 H new ATOM 0 HB2 ALA A 797 1.740 -5.454 -7.067 1.00 0.38 H new ATOM 0 HB3 ALA A 797 1.677 -4.903 -5.376 1.00 0.38 H new ATOM 362 N ILE A 798 3.020 -2.695 -4.468 1.00 0.27 N ATOM 363 CA ILE A 798 3.028 -1.595 -3.522 1.00 0.31 C ATOM 364 C ILE A 798 4.147 -0.618 -3.846 1.00 0.29 C ATOM 365 O ILE A 798 3.924 0.584 -3.967 1.00 0.33 O ATOM 366 CB ILE A 798 3.216 -2.106 -2.086 1.00 0.35 C ATOM 367 CG1 ILE A 798 1.999 -2.926 -1.655 1.00 0.40 C ATOM 368 CG2 ILE A 798 3.459 -0.941 -1.136 1.00 0.42 C ATOM 369 CD1 ILE A 798 2.159 -3.588 -0.304 1.00 0.50 C ATOM 0 H ILE A 798 3.080 -3.618 -4.038 1.00 0.27 H new ATOM 0 HA ILE A 798 2.066 -1.089 -3.601 1.00 0.31 H new ATOM 0 HB ILE A 798 4.092 -2.754 -2.052 1.00 0.35 H new ATOM 0 HG12 ILE A 798 1.124 -2.276 -1.630 1.00 0.40 H new ATOM 0 HG13 ILE A 798 1.805 -3.693 -2.405 1.00 0.40 H new ATOM 0 HG21 ILE A 798 3.590 -1.319 -0.122 1.00 0.42 H new ATOM 0 HG22 ILE A 798 4.357 -0.403 -1.442 1.00 0.42 H new ATOM 0 HG23 ILE A 798 2.604 -0.265 -1.163 1.00 0.42 H new ATOM 0 HD11 ILE A 798 1.257 -4.151 -0.066 1.00 0.50 H new ATOM 0 HD12 ILE A 798 3.013 -4.265 -0.329 1.00 0.50 H new ATOM 0 HD13 ILE A 798 2.322 -2.826 0.458 1.00 0.50 H new ATOM 381 N ASN A 799 5.357 -1.152 -3.972 1.00 0.25 N ATOM 382 CA ASN A 799 6.535 -0.346 -4.272 1.00 0.29 C ATOM 383 C ASN A 799 6.345 0.471 -5.547 1.00 0.27 C ATOM 384 O ASN A 799 6.880 1.573 -5.673 1.00 0.36 O ATOM 385 CB ASN A 799 7.766 -1.239 -4.410 1.00 0.30 C ATOM 386 CG ASN A 799 8.962 -0.702 -3.649 1.00 0.38 C ATOM 387 OD1 ASN A 799 9.967 -0.312 -4.244 1.00 0.81 O ATOM 388 ND2 ASN A 799 8.858 -0.678 -2.324 1.00 0.78 N ATOM 0 H ASN A 799 5.548 -2.149 -3.870 1.00 0.25 H new ATOM 0 HA ASN A 799 6.680 0.347 -3.443 1.00 0.29 H new ATOM 0 HB2 ASN A 799 7.528 -2.239 -4.047 1.00 0.30 H new ATOM 0 HB3 ASN A 799 8.024 -1.336 -5.465 1.00 0.30 H new ATOM 0 HD21 ASN A 799 9.630 -0.326 -1.758 1.00 0.78 H new ATOM 0 HD22 ASN A 799 8.006 -1.011 -1.873 1.00 0.78 H new ATOM 395 N SER A 800 5.587 -0.073 -6.492 1.00 0.22 N ATOM 396 CA SER A 800 5.337 0.610 -7.757 1.00 0.25 C ATOM 397 C SER A 800 4.308 1.722 -7.580 1.00 0.28 C ATOM 398 O SER A 800 4.209 2.628 -8.406 1.00 0.33 O ATOM 399 CB SER A 800 4.856 -0.385 -8.813 1.00 0.28 C ATOM 400 OG SER A 800 5.506 -0.165 -10.054 1.00 0.98 O ATOM 0 H SER A 800 5.135 -0.984 -6.407 1.00 0.22 H new ATOM 0 HA SER A 800 6.273 1.056 -8.091 1.00 0.25 H new ATOM 0 HB2 SER A 800 5.049 -1.403 -8.473 1.00 0.28 H new ATOM 0 HB3 SER A 800 3.778 -0.291 -8.942 1.00 0.28 H new ATOM 0 HG SER A 800 5.183 -0.815 -10.712 1.00 0.98 H new ATOM 406 N LYS A 801 3.540 1.642 -6.497 1.00 0.30 N ATOM 407 CA LYS A 801 2.515 2.640 -6.210 1.00 0.37 C ATOM 408 C LYS A 801 2.929 3.551 -5.056 1.00 0.40 C ATOM 409 O LYS A 801 2.191 4.463 -4.680 1.00 0.49 O ATOM 410 CB LYS A 801 1.187 1.956 -5.882 1.00 0.42 C ATOM 411 CG LYS A 801 0.066 2.307 -6.846 1.00 0.67 C ATOM 412 CD LYS A 801 -0.018 1.310 -7.989 1.00 1.05 C ATOM 413 CE LYS A 801 -1.220 1.582 -8.881 1.00 1.43 C ATOM 414 NZ LYS A 801 -2.062 0.368 -9.061 1.00 2.25 N ATOM 0 H LYS A 801 3.608 0.897 -5.804 1.00 0.30 H new ATOM 0 HA LYS A 801 2.394 3.256 -7.101 1.00 0.37 H new ATOM 0 HB2 LYS A 801 1.334 0.876 -5.887 1.00 0.42 H new ATOM 0 HB3 LYS A 801 0.886 2.232 -4.872 1.00 0.42 H new ATOM 0 HG2 LYS A 801 -0.883 2.328 -6.310 1.00 0.67 H new ATOM 0 HG3 LYS A 801 0.229 3.308 -7.246 1.00 0.67 H new ATOM 0 HD2 LYS A 801 0.895 1.358 -8.583 1.00 1.05 H new ATOM 0 HD3 LYS A 801 -0.084 0.299 -7.587 1.00 1.05 H new ATOM 0 HE2 LYS A 801 -1.822 2.380 -8.446 1.00 1.43 H new ATOM 0 HE3 LYS A 801 -0.878 1.934 -9.854 1.00 1.43 H new ATOM 0 HZ1 LYS A 801 -2.871 0.594 -9.675 1.00 2.25 H new ATOM 0 HZ2 LYS A 801 -1.495 -0.386 -9.499 1.00 2.25 H new ATOM 0 HZ3 LYS A 801 -2.410 0.046 -8.135 1.00 2.25 H new ATOM 428 N ILE A 802 4.110 3.302 -4.494 1.00 0.39 N ATOM 429 CA ILE A 802 4.609 4.105 -3.381 1.00 0.45 C ATOM 430 C ILE A 802 5.924 4.795 -3.734 1.00 0.50 C ATOM 431 O ILE A 802 6.265 5.830 -3.162 1.00 0.60 O ATOM 432 CB ILE A 802 4.819 3.248 -2.116 1.00 0.47 C ATOM 433 CG1 ILE A 802 5.876 2.176 -2.363 1.00 0.42 C ATOM 434 CG2 ILE A 802 3.507 2.617 -1.678 1.00 0.49 C ATOM 435 CD1 ILE A 802 7.200 2.463 -1.687 1.00 0.75 C ATOM 0 H ILE A 802 4.737 2.554 -4.790 1.00 0.39 H new ATOM 0 HA ILE A 802 3.850 4.861 -3.181 1.00 0.45 H new ATOM 0 HB ILE A 802 5.173 3.897 -1.315 1.00 0.47 H new ATOM 0 HG12 ILE A 802 5.498 1.217 -2.010 1.00 0.42 H new ATOM 0 HG13 ILE A 802 6.039 2.079 -3.436 1.00 0.42 H new ATOM 0 HG21 ILE A 802 3.673 2.016 -0.784 1.00 0.49 H new ATOM 0 HG22 ILE A 802 2.782 3.401 -1.459 1.00 0.49 H new ATOM 0 HG23 ILE A 802 3.124 1.982 -2.477 1.00 0.49 H new ATOM 0 HD11 ILE A 802 7.902 1.659 -1.907 1.00 0.75 H new ATOM 0 HD12 ILE A 802 7.601 3.406 -2.058 1.00 0.75 H new ATOM 0 HD13 ILE A 802 7.051 2.531 -0.609 1.00 0.75 H new ATOM 447 N SER A 803 6.661 4.212 -4.675 1.00 0.45 N ATOM 448 CA SER A 803 7.940 4.773 -5.097 1.00 0.53 C ATOM 449 C SER A 803 8.121 4.652 -6.609 1.00 0.61 C ATOM 450 O SER A 803 9.114 4.104 -7.086 1.00 1.19 O ATOM 451 CB SER A 803 9.091 4.070 -4.374 1.00 0.60 C ATOM 452 OG SER A 803 9.173 2.706 -4.746 1.00 1.53 O ATOM 0 H SER A 803 6.395 3.354 -5.158 1.00 0.45 H new ATOM 0 HA SER A 803 7.947 5.831 -4.836 1.00 0.53 H new ATOM 0 HB2 SER A 803 10.031 4.571 -4.608 1.00 0.60 H new ATOM 0 HB3 SER A 803 8.948 4.148 -3.296 1.00 0.60 H new ATOM 0 HG SER A 803 8.301 2.404 -5.077 1.00 1.53 H new ATOM 576 N PRO A 812 11.831 3.549 -0.452 1.00 0.70 N ATOM 577 CA PRO A 812 10.804 2.502 -0.511 1.00 0.66 C ATOM 578 C PRO A 812 10.572 1.842 0.845 1.00 0.62 C ATOM 579 O PRO A 812 11.086 2.299 1.866 1.00 0.73 O ATOM 580 CB PRO A 812 11.373 1.483 -1.507 1.00 0.70 C ATOM 581 CG PRO A 812 12.409 2.226 -2.276 1.00 0.95 C ATOM 582 CD PRO A 812 12.975 3.242 -1.329 1.00 0.77 C ATOM 0 HA PRO A 812 9.836 2.906 -0.806 1.00 0.66 H new ATOM 0 HB2 PRO A 812 11.805 0.626 -0.990 1.00 0.70 H new ATOM 0 HB3 PRO A 812 10.594 1.098 -2.165 1.00 0.70 H new ATOM 0 HG2 PRO A 812 13.186 1.552 -2.636 1.00 0.95 H new ATOM 0 HG3 PRO A 812 11.974 2.708 -3.152 1.00 0.95 H new ATOM 0 HD2 PRO A 812 13.819 2.844 -0.767 1.00 0.77 H new ATOM 0 HD3 PRO A 812 13.331 4.129 -1.853 1.00 0.77 H new ATOM 590 N ILE A 813 9.796 0.763 0.848 1.00 0.62 N ATOM 591 CA ILE A 813 9.498 0.039 2.078 1.00 0.61 C ATOM 592 C ILE A 813 9.674 -1.462 1.890 1.00 0.59 C ATOM 593 O ILE A 813 10.102 -1.920 0.830 1.00 0.75 O ATOM 594 CB ILE A 813 8.063 0.320 2.568 1.00 0.70 C ATOM 595 CG1 ILE A 813 7.148 0.658 1.388 1.00 1.22 C ATOM 596 CG2 ILE A 813 8.062 1.450 3.585 1.00 1.05 C ATOM 597 CD1 ILE A 813 6.641 -0.561 0.648 1.00 1.94 C ATOM 0 H ILE A 813 9.362 0.371 0.012 1.00 0.62 H new ATOM 0 HA ILE A 813 10.204 0.394 2.829 1.00 0.61 H new ATOM 0 HB ILE A 813 7.681 -0.579 3.051 1.00 0.70 H new ATOM 0 HG12 ILE A 813 6.296 1.232 1.752 1.00 1.22 H new ATOM 0 HG13 ILE A 813 7.689 1.298 0.691 1.00 1.22 H new ATOM 0 HG21 ILE A 813 7.042 1.636 3.921 1.00 1.05 H new ATOM 0 HG22 ILE A 813 8.680 1.172 4.439 1.00 1.05 H new ATOM 0 HG23 ILE A 813 8.463 2.353 3.126 1.00 1.05 H new ATOM 0 HD11 ILE A 813 5.999 -0.246 -0.175 1.00 1.94 H new ATOM 0 HD12 ILE A 813 7.486 -1.125 0.254 1.00 1.94 H new ATOM 0 HD13 ILE A 813 6.072 -1.191 1.332 1.00 1.94 H new ATOM 609 N THR A 814 9.343 -2.225 2.928 1.00 0.49 N ATOM 610 CA THR A 814 9.466 -3.677 2.879 1.00 0.49 C ATOM 611 C THR A 814 8.541 -4.342 3.896 1.00 0.47 C ATOM 612 O THR A 814 7.787 -5.254 3.558 1.00 0.54 O ATOM 613 CB THR A 814 10.916 -4.130 3.144 1.00 0.53 C ATOM 614 OG1 THR A 814 10.927 -5.469 3.651 1.00 1.16 O ATOM 615 CG2 THR A 814 11.603 -3.203 4.136 1.00 1.07 C ATOM 0 H THR A 814 8.988 -1.861 3.812 1.00 0.49 H new ATOM 0 HA THR A 814 9.177 -3.985 1.874 1.00 0.49 H new ATOM 0 HB THR A 814 11.460 -4.094 2.200 1.00 0.53 H new ATOM 0 HG1 THR A 814 11.852 -5.749 3.815 1.00 1.16 H new ATOM 0 HG21 THR A 814 12.624 -3.544 4.306 1.00 1.07 H new ATOM 0 HG22 THR A 814 11.621 -2.190 3.735 1.00 1.07 H new ATOM 0 HG23 THR A 814 11.057 -3.210 5.079 1.00 1.07 H new ATOM 623 N LYS A 815 8.605 -3.879 5.140 1.00 0.42 N ATOM 624 CA LYS A 815 7.774 -4.430 6.204 1.00 0.42 C ATOM 625 C LYS A 815 6.555 -3.550 6.453 1.00 0.40 C ATOM 626 O LYS A 815 6.684 -2.388 6.838 1.00 0.48 O ATOM 627 CB LYS A 815 8.587 -4.576 7.491 1.00 0.49 C ATOM 628 CG LYS A 815 9.220 -5.947 7.656 1.00 0.89 C ATOM 629 CD LYS A 815 9.853 -6.109 9.028 1.00 1.30 C ATOM 630 CE LYS A 815 10.908 -7.203 9.028 1.00 1.97 C ATOM 631 NZ LYS A 815 10.301 -8.558 9.149 1.00 2.69 N ATOM 0 H LYS A 815 9.223 -3.124 5.436 1.00 0.42 H new ATOM 0 HA LYS A 815 7.429 -5.415 5.889 1.00 0.42 H new ATOM 0 HB2 LYS A 815 9.371 -3.819 7.504 1.00 0.49 H new ATOM 0 HB3 LYS A 815 7.939 -4.379 8.345 1.00 0.49 H new ATOM 0 HG2 LYS A 815 8.463 -6.718 7.510 1.00 0.89 H new ATOM 0 HG3 LYS A 815 9.977 -6.094 6.886 1.00 0.89 H new ATOM 0 HD2 LYS A 815 10.305 -5.166 9.335 1.00 1.30 H new ATOM 0 HD3 LYS A 815 9.081 -6.346 9.760 1.00 1.30 H new ATOM 0 HE2 LYS A 815 11.490 -7.146 8.108 1.00 1.97 H new ATOM 0 HE3 LYS A 815 11.600 -7.040 9.854 1.00 1.97 H new ATOM 0 HZ1 LYS A 815 11.053 -9.277 9.145 1.00 2.69 H new ATOM 0 HZ2 LYS A 815 9.766 -8.621 10.039 1.00 2.69 H new ATOM 0 HZ3 LYS A 815 9.660 -8.724 8.347 1.00 2.69 H new ATOM 645 N ILE A 816 5.370 -4.113 6.227 1.00 0.36 N ATOM 646 CA ILE A 816 4.124 -3.379 6.425 1.00 0.38 C ATOM 647 C ILE A 816 3.089 -4.231 7.158 1.00 0.33 C ATOM 648 O ILE A 816 3.340 -5.393 7.477 1.00 0.37 O ATOM 649 CB ILE A 816 3.522 -2.906 5.080 1.00 0.41 C ATOM 650 CG1 ILE A 816 2.829 -4.067 4.351 1.00 0.59 C ATOM 651 CG2 ILE A 816 4.597 -2.284 4.199 1.00 0.84 C ATOM 652 CD1 ILE A 816 3.762 -5.191 3.947 1.00 0.53 C ATOM 0 H ILE A 816 5.247 -5.074 5.907 1.00 0.36 H new ATOM 0 HA ILE A 816 4.370 -2.507 7.031 1.00 0.38 H new ATOM 0 HB ILE A 816 2.772 -2.145 5.295 1.00 0.41 H new ATOM 0 HG12 ILE A 816 2.048 -4.472 4.995 1.00 0.59 H new ATOM 0 HG13 ILE A 816 2.337 -3.679 3.459 1.00 0.59 H new ATOM 0 HG21 ILE A 816 4.153 -1.958 3.258 1.00 0.84 H new ATOM 0 HG22 ILE A 816 5.035 -1.426 4.710 1.00 0.84 H new ATOM 0 HG23 ILE A 816 5.374 -3.022 3.997 1.00 0.84 H new ATOM 0 HD11 ILE A 816 3.194 -5.970 3.438 1.00 0.53 H new ATOM 0 HD12 ILE A 816 4.529 -4.804 3.276 1.00 0.53 H new ATOM 0 HD13 ILE A 816 4.235 -5.608 4.836 1.00 0.53 H new ATOM 664 N LYS A 817 1.923 -3.643 7.408 1.00 0.32 N ATOM 665 CA LYS A 817 0.839 -4.340 8.091 1.00 0.31 C ATOM 666 C LYS A 817 -0.379 -4.448 7.178 1.00 0.32 C ATOM 667 O LYS A 817 -0.475 -3.741 6.176 1.00 0.59 O ATOM 668 CB LYS A 817 0.461 -3.606 9.381 1.00 0.37 C ATOM 669 CG LYS A 817 1.588 -3.545 10.400 1.00 0.39 C ATOM 670 CD LYS A 817 1.130 -4.022 11.768 1.00 0.38 C ATOM 671 CE LYS A 817 2.251 -3.935 12.791 1.00 0.50 C ATOM 672 NZ LYS A 817 1.730 -3.916 14.186 1.00 0.85 N ATOM 0 H LYS A 817 1.704 -2.682 7.146 1.00 0.32 H new ATOM 0 HA LYS A 817 1.181 -5.343 8.345 1.00 0.31 H new ATOM 0 HB2 LYS A 817 0.151 -2.591 9.134 1.00 0.37 H new ATOM 0 HB3 LYS A 817 -0.399 -4.101 9.832 1.00 0.37 H new ATOM 0 HG2 LYS A 817 2.421 -4.160 10.060 1.00 0.39 H new ATOM 0 HG3 LYS A 817 1.957 -2.522 10.475 1.00 0.39 H new ATOM 0 HD2 LYS A 817 0.285 -3.420 12.101 1.00 0.38 H new ATOM 0 HD3 LYS A 817 0.779 -5.052 11.697 1.00 0.38 H new ATOM 0 HE2 LYS A 817 2.923 -4.784 12.666 1.00 0.50 H new ATOM 0 HE3 LYS A 817 2.838 -3.035 12.610 1.00 0.50 H new ATOM 0 HZ1 LYS A 817 2.520 -4.027 14.853 1.00 0.85 H new ATOM 0 HZ2 LYS A 817 1.250 -3.011 14.365 1.00 0.85 H new ATOM 0 HZ3 LYS A 817 1.055 -4.697 14.315 1.00 0.85 H new ATOM 686 N TYR A 818 -1.306 -5.332 7.528 1.00 0.23 N ATOM 687 CA TYR A 818 -2.513 -5.521 6.731 1.00 0.22 C ATOM 688 C TYR A 818 -3.756 -5.540 7.612 1.00 0.23 C ATOM 689 O TYR A 818 -3.676 -5.803 8.812 1.00 0.31 O ATOM 690 CB TYR A 818 -2.420 -6.814 5.916 1.00 0.26 C ATOM 691 CG TYR A 818 -2.522 -8.078 6.742 1.00 0.30 C ATOM 692 CD1 TYR A 818 -1.457 -8.504 7.526 1.00 0.46 C ATOM 693 CD2 TYR A 818 -3.684 -8.840 6.746 1.00 0.41 C ATOM 694 CE1 TYR A 818 -1.547 -9.653 8.288 1.00 0.58 C ATOM 695 CE2 TYR A 818 -3.782 -9.988 7.509 1.00 0.51 C ATOM 696 CZ TYR A 818 -2.706 -10.410 8.246 1.00 0.56 C ATOM 697 OH TYR A 818 -2.805 -11.534 9.037 1.00 0.71 O ATOM 0 H TYR A 818 -1.246 -5.927 8.354 1.00 0.23 H new ATOM 0 HA TYR A 818 -2.597 -4.678 6.045 1.00 0.22 H new ATOM 0 HB2 TYR A 818 -3.214 -6.817 5.169 1.00 0.26 H new ATOM 0 HB3 TYR A 818 -1.473 -6.822 5.376 1.00 0.26 H new ATOM 0 HD1 TYR A 818 -0.544 -7.928 7.540 1.00 0.46 H new ATOM 0 HD2 TYR A 818 -4.524 -8.530 6.143 1.00 0.41 H new ATOM 0 HE1 TYR A 818 -0.720 -9.958 8.912 1.00 0.58 H new ATOM 0 HE2 TYR A 818 -4.704 -10.551 7.525 1.00 0.51 H new ATOM 0 HH TYR A 818 -1.916 -11.930 9.155 1.00 0.71 H new ATOM 707 N GLN A 819 -4.905 -5.265 7.006 1.00 0.27 N ATOM 708 CA GLN A 819 -6.168 -5.252 7.724 1.00 0.34 C ATOM 709 C GLN A 819 -6.879 -6.588 7.567 1.00 0.40 C ATOM 710 O GLN A 819 -7.392 -6.915 6.497 1.00 0.45 O ATOM 711 CB GLN A 819 -7.059 -4.114 7.220 1.00 0.44 C ATOM 712 CG GLN A 819 -8.505 -4.220 7.679 1.00 0.56 C ATOM 713 CD GLN A 819 -8.900 -3.099 8.618 1.00 1.14 C ATOM 714 OE1 GLN A 819 -8.567 -1.936 8.391 1.00 1.91 O ATOM 715 NE2 GLN A 819 -9.614 -3.444 9.683 1.00 1.44 N ATOM 0 H GLN A 819 -4.985 -5.047 6.013 1.00 0.27 H new ATOM 0 HA GLN A 819 -5.962 -5.088 8.782 1.00 0.34 H new ATOM 0 HB2 GLN A 819 -6.648 -3.164 7.561 1.00 0.44 H new ATOM 0 HB3 GLN A 819 -7.033 -4.100 6.130 1.00 0.44 H new ATOM 0 HG2 GLN A 819 -9.161 -4.208 6.808 1.00 0.56 H new ATOM 0 HG3 GLN A 819 -8.655 -5.177 8.178 1.00 0.56 H new ATOM 0 HE21 GLN A 819 -9.868 -4.421 9.832 1.00 1.44 H new ATOM 0 HE22 GLN A 819 -9.908 -2.732 10.352 1.00 1.44 H new ATOM 724 N ASP A 820 -6.900 -7.354 8.646 1.00 0.43 N ATOM 725 CA ASP A 820 -7.540 -8.666 8.645 1.00 0.53 C ATOM 726 C ASP A 820 -9.053 -8.533 8.786 1.00 0.62 C ATOM 727 O ASP A 820 -9.577 -7.434 8.972 1.00 0.65 O ATOM 728 CB ASP A 820 -6.987 -9.526 9.782 1.00 0.58 C ATOM 729 CG ASP A 820 -7.085 -11.010 9.484 1.00 1.13 C ATOM 730 OD1 ASP A 820 -6.175 -11.543 8.814 1.00 1.80 O ATOM 731 OD2 ASP A 820 -8.071 -11.639 9.922 1.00 1.34 O ATOM 0 H ASP A 820 -6.481 -7.091 9.538 1.00 0.43 H new ATOM 0 HA ASP A 820 -7.322 -9.148 7.692 1.00 0.53 H new ATOM 0 HB2 ASP A 820 -5.945 -9.262 9.960 1.00 0.58 H new ATOM 0 HB3 ASP A 820 -7.533 -9.305 10.699 1.00 0.58 H new ATOM 736 N GLU A 821 -9.751 -9.661 8.690 1.00 0.71 N ATOM 737 CA GLU A 821 -11.205 -9.676 8.803 1.00 0.82 C ATOM 738 C GLU A 821 -11.643 -9.667 10.265 1.00 0.83 C ATOM 739 O GLU A 821 -12.593 -10.354 10.644 1.00 0.97 O ATOM 740 CB GLU A 821 -11.777 -10.905 8.093 1.00 0.96 C ATOM 741 CG GLU A 821 -11.117 -12.210 8.509 1.00 1.10 C ATOM 742 CD GLU A 821 -12.122 -13.271 8.913 1.00 1.30 C ATOM 743 OE1 GLU A 821 -12.529 -13.284 10.093 1.00 1.53 O ATOM 744 OE2 GLU A 821 -12.502 -14.087 8.047 1.00 1.62 O ATOM 0 H GLU A 821 -9.332 -10.578 8.534 1.00 0.71 H new ATOM 0 HA GLU A 821 -11.590 -8.775 8.326 1.00 0.82 H new ATOM 0 HB2 GLU A 821 -12.846 -10.967 8.297 1.00 0.96 H new ATOM 0 HB3 GLU A 821 -11.664 -10.778 7.016 1.00 0.96 H new ATOM 0 HG2 GLU A 821 -10.511 -12.585 7.684 1.00 1.10 H new ATOM 0 HG3 GLU A 821 -10.440 -12.021 9.342 1.00 1.10 H new ATOM 751 N ASP A 822 -10.949 -8.881 11.081 1.00 0.79 N ATOM 752 CA ASP A 822 -11.268 -8.778 12.500 1.00 0.81 C ATOM 753 C ASP A 822 -11.138 -7.336 12.976 1.00 0.73 C ATOM 754 O ASP A 822 -11.152 -7.063 14.178 1.00 0.78 O ATOM 755 CB ASP A 822 -10.345 -9.684 13.319 1.00 0.86 C ATOM 756 CG ASP A 822 -11.115 -10.610 14.241 1.00 1.20 C ATOM 757 OD1 ASP A 822 -11.895 -11.441 13.731 1.00 1.65 O ATOM 758 OD2 ASP A 822 -10.936 -10.505 15.473 1.00 1.56 O ATOM 0 H ASP A 822 -10.161 -8.305 10.784 1.00 0.79 H new ATOM 0 HA ASP A 822 -12.299 -9.101 12.643 1.00 0.81 H new ATOM 0 HB2 ASP A 822 -9.730 -10.278 12.643 1.00 0.86 H new ATOM 0 HB3 ASP A 822 -9.667 -9.069 13.910 1.00 0.86 H new ATOM 763 N GLY A 823 -11.011 -6.416 12.023 1.00 0.68 N ATOM 764 CA GLY A 823 -10.877 -5.011 12.359 1.00 0.70 C ATOM 765 C GLY A 823 -9.634 -4.731 13.180 1.00 0.67 C ATOM 766 O GLY A 823 -9.720 -4.181 14.279 1.00 0.88 O ATOM 0 H GLY A 823 -10.999 -6.620 11.024 1.00 0.68 H new ATOM 0 HA2 GLY A 823 -10.844 -4.422 11.442 1.00 0.70 H new ATOM 0 HA3 GLY A 823 -11.757 -4.687 12.915 1.00 0.70 H new ATOM 770 N ASP A 824 -8.477 -5.116 12.648 1.00 0.54 N ATOM 771 CA ASP A 824 -7.212 -4.910 13.335 1.00 0.57 C ATOM 772 C ASP A 824 -6.038 -5.213 12.411 1.00 0.55 C ATOM 773 O ASP A 824 -6.017 -6.239 11.728 1.00 0.93 O ATOM 774 CB ASP A 824 -7.135 -5.791 14.584 1.00 0.65 C ATOM 775 CG ASP A 824 -6.460 -5.088 15.746 1.00 1.15 C ATOM 776 OD1 ASP A 824 -6.797 -3.915 16.008 1.00 1.86 O ATOM 777 OD2 ASP A 824 -5.591 -5.711 16.394 1.00 1.48 O ATOM 0 H ASP A 824 -8.393 -5.573 11.740 1.00 0.54 H new ATOM 0 HA ASP A 824 -7.155 -3.864 13.635 1.00 0.57 H new ATOM 0 HB2 ASP A 824 -8.141 -6.089 14.878 1.00 0.65 H new ATOM 0 HB3 ASP A 824 -6.589 -6.704 14.348 1.00 0.65 H new ATOM 782 N PHE A 825 -5.066 -4.311 12.395 1.00 0.42 N ATOM 783 CA PHE A 825 -3.881 -4.467 11.561 1.00 0.37 C ATOM 784 C PHE A 825 -2.907 -5.467 12.178 1.00 0.38 C ATOM 785 O PHE A 825 -2.555 -5.360 13.352 1.00 0.44 O ATOM 786 CB PHE A 825 -3.186 -3.119 11.367 1.00 0.39 C ATOM 787 CG PHE A 825 -3.955 -2.165 10.498 1.00 0.41 C ATOM 788 CD1 PHE A 825 -3.965 -2.313 9.119 1.00 0.38 C ATOM 789 CD2 PHE A 825 -4.670 -1.119 11.061 1.00 0.59 C ATOM 790 CE1 PHE A 825 -4.672 -1.436 8.320 1.00 0.43 C ATOM 791 CE2 PHE A 825 -5.379 -0.239 10.265 1.00 0.64 C ATOM 792 CZ PHE A 825 -5.380 -0.396 8.893 1.00 0.52 C ATOM 0 H PHE A 825 -5.075 -3.458 12.954 1.00 0.42 H new ATOM 0 HA PHE A 825 -4.200 -4.848 10.591 1.00 0.37 H new ATOM 0 HB2 PHE A 825 -3.024 -2.659 12.342 1.00 0.39 H new ATOM 0 HB3 PHE A 825 -2.203 -3.287 10.927 1.00 0.39 H new ATOM 0 HD1 PHE A 825 -3.414 -3.123 8.665 1.00 0.38 H new ATOM 0 HD2 PHE A 825 -4.673 -0.990 12.133 1.00 0.59 H new ATOM 0 HE1 PHE A 825 -4.672 -1.563 7.247 1.00 0.43 H new ATOM 0 HE2 PHE A 825 -5.932 0.571 10.716 1.00 0.64 H new ATOM 0 HZ PHE A 825 -5.932 0.292 8.270 1.00 0.52 H new ATOM 802 N VAL A 826 -2.478 -6.437 11.376 1.00 0.38 N ATOM 803 CA VAL A 826 -1.553 -7.457 11.830 1.00 0.45 C ATOM 804 C VAL A 826 -0.168 -7.247 11.229 1.00 0.36 C ATOM 805 O VAL A 826 0.002 -6.461 10.299 1.00 0.31 O ATOM 806 CB VAL A 826 -2.051 -8.854 11.452 1.00 0.54 C ATOM 807 CG1 VAL A 826 -1.600 -9.871 12.476 1.00 0.97 C ATOM 808 CG2 VAL A 826 -3.565 -8.870 11.302 1.00 0.79 C ATOM 0 H VAL A 826 -2.762 -6.534 10.401 1.00 0.38 H new ATOM 0 HA VAL A 826 -1.491 -7.376 12.915 1.00 0.45 H new ATOM 0 HB VAL A 826 -1.618 -9.122 10.488 1.00 0.54 H new ATOM 0 HG11 VAL A 826 -1.963 -10.859 12.192 1.00 0.97 H new ATOM 0 HG12 VAL A 826 -0.511 -9.883 12.521 1.00 0.97 H new ATOM 0 HG13 VAL A 826 -2.001 -9.605 13.454 1.00 0.97 H new ATOM 0 HG21 VAL A 826 -3.893 -9.874 11.033 1.00 0.79 H new ATOM 0 HG22 VAL A 826 -4.027 -8.577 12.245 1.00 0.79 H new ATOM 0 HG23 VAL A 826 -3.861 -8.170 10.520 1.00 0.79 H new ATOM 818 N VAL A 827 0.818 -7.959 11.762 1.00 0.37 N ATOM 819 CA VAL A 827 2.188 -7.851 11.274 1.00 0.33 C ATOM 820 C VAL A 827 2.526 -9.000 10.334 1.00 0.30 C ATOM 821 O VAL A 827 2.749 -10.128 10.771 1.00 0.35 O ATOM 822 CB VAL A 827 3.205 -7.836 12.432 1.00 0.41 C ATOM 823 CG1 VAL A 827 4.329 -6.854 12.140 1.00 0.52 C ATOM 824 CG2 VAL A 827 2.521 -7.500 13.749 1.00 0.56 C ATOM 0 H VAL A 827 0.695 -8.617 12.532 1.00 0.37 H new ATOM 0 HA VAL A 827 2.254 -6.907 10.734 1.00 0.33 H new ATOM 0 HB VAL A 827 3.636 -8.833 12.523 1.00 0.41 H new ATOM 0 HG11 VAL A 827 5.038 -6.856 12.968 1.00 0.52 H new ATOM 0 HG12 VAL A 827 4.840 -7.148 11.223 1.00 0.52 H new ATOM 0 HG13 VAL A 827 3.915 -5.853 12.019 1.00 0.52 H new ATOM 0 HG21 VAL A 827 3.259 -7.495 14.551 1.00 0.56 H new ATOM 0 HG22 VAL A 827 2.057 -6.516 13.677 1.00 0.56 H new ATOM 0 HG23 VAL A 827 1.757 -8.247 13.963 1.00 0.56 H new ATOM 834 N LEU A 828 2.561 -8.703 9.038 1.00 0.26 N ATOM 835 CA LEU A 828 2.871 -9.711 8.031 1.00 0.28 C ATOM 836 C LEU A 828 4.376 -9.940 7.940 1.00 0.46 C ATOM 837 O LEU A 828 5.148 -9.001 7.749 1.00 0.60 O ATOM 838 CB LEU A 828 2.323 -9.286 6.667 1.00 0.31 C ATOM 839 CG LEU A 828 2.379 -10.363 5.582 1.00 0.45 C ATOM 840 CD1 LEU A 828 1.034 -10.489 4.885 1.00 0.66 C ATOM 841 CD2 LEU A 828 3.475 -10.046 4.577 1.00 0.81 C ATOM 0 H LEU A 828 2.379 -7.773 8.661 1.00 0.26 H new ATOM 0 HA LEU A 828 2.396 -10.646 8.328 1.00 0.28 H new ATOM 0 HB2 LEU A 828 1.287 -8.970 6.791 1.00 0.31 H new ATOM 0 HB3 LEU A 828 2.882 -8.416 6.323 1.00 0.31 H new ATOM 0 HG LEU A 828 2.610 -11.318 6.054 1.00 0.45 H new ATOM 0 HD11 LEU A 828 1.093 -11.260 4.117 1.00 0.66 H new ATOM 0 HD12 LEU A 828 0.271 -10.761 5.614 1.00 0.66 H new ATOM 0 HD13 LEU A 828 0.772 -9.537 4.424 1.00 0.66 H new ATOM 0 HD21 LEU A 828 3.502 -10.821 3.812 1.00 0.81 H new ATOM 0 HD22 LEU A 828 3.273 -9.082 4.110 1.00 0.81 H new ATOM 0 HD23 LEU A 828 4.437 -10.007 5.088 1.00 0.81 H new ATOM 853 N GLY A 829 4.786 -11.198 8.082 1.00 0.58 N ATOM 854 CA GLY A 829 6.197 -11.531 8.018 1.00 0.81 C ATOM 855 C GLY A 829 6.708 -11.651 6.595 1.00 0.49 C ATOM 856 O GLY A 829 7.656 -10.965 6.211 1.00 0.45 O ATOM 0 H GLY A 829 4.165 -11.992 8.240 1.00 0.58 H new ATOM 0 HA2 GLY A 829 6.770 -10.766 8.542 1.00 0.81 H new ATOM 0 HA3 GLY A 829 6.368 -12.472 8.541 1.00 0.81 H new ATOM 860 N SER A 830 6.080 -12.524 5.813 1.00 0.35 N ATOM 861 CA SER A 830 6.479 -12.737 4.426 1.00 0.23 C ATOM 862 C SER A 830 5.462 -13.624 3.709 1.00 0.19 C ATOM 863 O SER A 830 4.260 -13.507 3.943 1.00 0.20 O ATOM 864 CB SER A 830 7.872 -13.368 4.366 1.00 0.45 C ATOM 865 OG SER A 830 7.927 -14.557 5.136 1.00 1.31 O ATOM 0 H SER A 830 5.292 -13.096 6.117 1.00 0.35 H new ATOM 0 HA SER A 830 6.512 -11.771 3.922 1.00 0.23 H new ATOM 0 HB2 SER A 830 8.130 -13.589 3.330 1.00 0.45 H new ATOM 0 HB3 SER A 830 8.612 -12.658 4.734 1.00 0.45 H new ATOM 0 HG SER A 830 7.876 -15.334 4.542 1.00 1.31 H new ATOM 871 N ASP A 831 5.948 -14.512 2.843 1.00 0.18 N ATOM 872 CA ASP A 831 5.069 -15.414 2.104 1.00 0.18 C ATOM 873 C ASP A 831 4.224 -16.254 3.058 1.00 0.17 C ATOM 874 O ASP A 831 3.231 -16.858 2.651 1.00 0.22 O ATOM 875 CB ASP A 831 5.890 -16.328 1.192 1.00 0.23 C ATOM 876 CG ASP A 831 6.890 -17.168 1.962 1.00 1.33 C ATOM 877 OD1 ASP A 831 7.831 -16.587 2.544 1.00 2.20 O ATOM 878 OD2 ASP A 831 6.735 -18.407 1.982 1.00 1.77 O ATOM 0 H ASP A 831 6.941 -14.625 2.637 1.00 0.18 H new ATOM 0 HA ASP A 831 4.400 -14.808 1.492 1.00 0.18 H new ATOM 0 HB2 ASP A 831 5.217 -16.984 0.640 1.00 0.23 H new ATOM 0 HB3 ASP A 831 6.419 -15.722 0.456 1.00 0.23 H new ATOM 883 N GLU A 832 4.621 -16.283 4.328 1.00 0.18 N ATOM 884 CA GLU A 832 3.893 -17.046 5.337 1.00 0.21 C ATOM 885 C GLU A 832 2.530 -16.421 5.605 1.00 0.19 C ATOM 886 O GLU A 832 1.507 -16.920 5.139 1.00 0.19 O ATOM 887 CB GLU A 832 4.700 -17.124 6.635 1.00 0.26 C ATOM 888 CG GLU A 832 5.883 -18.076 6.561 1.00 0.92 C ATOM 889 CD GLU A 832 6.827 -17.923 7.738 1.00 1.41 C ATOM 890 OE1 GLU A 832 6.372 -18.090 8.889 1.00 1.63 O ATOM 891 OE2 GLU A 832 8.021 -17.636 7.508 1.00 2.21 O ATOM 0 H GLU A 832 5.440 -15.789 4.681 1.00 0.18 H new ATOM 0 HA GLU A 832 3.743 -18.056 4.956 1.00 0.21 H new ATOM 0 HB2 GLU A 832 5.062 -16.127 6.888 1.00 0.26 H new ATOM 0 HB3 GLU A 832 4.041 -17.439 7.444 1.00 0.26 H new ATOM 0 HG2 GLU A 832 5.517 -19.102 6.524 1.00 0.92 H new ATOM 0 HG3 GLU A 832 6.430 -17.899 5.635 1.00 0.92 H new ATOM 898 N ASP A 833 2.522 -15.320 6.352 1.00 0.19 N ATOM 899 CA ASP A 833 1.280 -14.627 6.668 1.00 0.19 C ATOM 900 C ASP A 833 0.624 -14.112 5.398 1.00 0.18 C ATOM 901 O ASP A 833 -0.534 -13.701 5.415 1.00 0.18 O ATOM 902 CB ASP A 833 1.542 -13.468 7.633 1.00 0.22 C ATOM 903 CG ASP A 833 0.965 -13.725 9.012 1.00 0.41 C ATOM 904 OD1 ASP A 833 1.323 -14.755 9.623 1.00 0.73 O ATOM 905 OD2 ASP A 833 0.157 -12.898 9.482 1.00 0.73 O ATOM 0 H ASP A 833 3.359 -14.891 6.748 1.00 0.19 H new ATOM 0 HA ASP A 833 0.605 -15.335 7.150 1.00 0.19 H new ATOM 0 HB2 ASP A 833 2.616 -13.303 7.716 1.00 0.22 H new ATOM 0 HB3 ASP A 833 1.110 -12.554 7.225 1.00 0.22 H new ATOM 910 N TRP A 834 1.361 -14.153 4.295 1.00 0.17 N ATOM 911 CA TRP A 834 0.825 -13.705 3.018 1.00 0.17 C ATOM 912 C TRP A 834 -0.048 -14.794 2.411 1.00 0.17 C ATOM 913 O TRP A 834 -1.097 -14.519 1.833 1.00 0.19 O ATOM 914 CB TRP A 834 1.950 -13.322 2.053 1.00 0.19 C ATOM 915 CG TRP A 834 1.467 -12.751 0.746 1.00 0.17 C ATOM 916 CD1 TRP A 834 2.090 -12.857 -0.462 1.00 0.17 C ATOM 917 CD2 TRP A 834 0.273 -11.985 0.515 1.00 0.19 C ATOM 918 NE1 TRP A 834 1.364 -12.208 -1.431 1.00 0.17 N ATOM 919 CE2 TRP A 834 0.243 -11.668 -0.857 1.00 0.19 C ATOM 920 CE3 TRP A 834 -0.773 -11.537 1.331 1.00 0.23 C ATOM 921 CZ2 TRP A 834 -0.791 -10.927 -1.429 1.00 0.23 C ATOM 922 CZ3 TRP A 834 -1.797 -10.804 0.762 1.00 0.26 C ATOM 923 CH2 TRP A 834 -1.799 -10.506 -0.605 1.00 0.26 C ATOM 0 H TRP A 834 2.323 -14.489 4.259 1.00 0.17 H new ATOM 0 HA TRP A 834 0.217 -12.817 3.192 1.00 0.17 H new ATOM 0 HB2 TRP A 834 2.599 -12.593 2.539 1.00 0.19 H new ATOM 0 HB3 TRP A 834 2.557 -14.204 1.850 1.00 0.19 H new ATOM 0 HD1 TRP A 834 3.021 -13.377 -0.633 1.00 0.17 H new ATOM 0 HE1 TRP A 834 1.618 -12.139 -2.417 1.00 0.17 H new ATOM 0 HE3 TRP A 834 -0.779 -11.761 2.388 1.00 0.23 H new ATOM 0 HZ2 TRP A 834 -0.796 -10.694 -2.484 1.00 0.23 H new ATOM 0 HZ3 TRP A 834 -2.609 -10.455 1.383 1.00 0.26 H new ATOM 0 HH2 TRP A 834 -2.614 -9.931 -1.019 1.00 0.26 H new ATOM 934 N ASN A 835 0.388 -16.040 2.570 1.00 0.18 N ATOM 935 CA ASN A 835 -0.356 -17.185 2.060 1.00 0.20 C ATOM 936 C ASN A 835 -1.552 -17.471 2.958 1.00 0.20 C ATOM 937 O ASN A 835 -2.615 -17.883 2.490 1.00 0.23 O ATOM 938 CB ASN A 835 0.552 -18.415 1.981 1.00 0.23 C ATOM 939 CG ASN A 835 0.069 -19.564 2.846 1.00 1.38 C ATOM 940 OD1 ASN A 835 -0.618 -20.468 2.372 1.00 1.90 O ATOM 941 ND2 ASN A 835 0.430 -19.535 4.125 1.00 1.98 N ATOM 0 H ASN A 835 1.255 -16.282 3.049 1.00 0.18 H new ATOM 0 HA ASN A 835 -0.715 -16.953 1.057 1.00 0.20 H new ATOM 0 HB2 ASN A 835 0.614 -18.748 0.945 1.00 0.23 H new ATOM 0 HB3 ASN A 835 1.560 -18.136 2.287 1.00 0.23 H new ATOM 0 HD21 ASN A 835 0.136 -20.282 4.755 1.00 1.98 H new ATOM 0 HD22 ASN A 835 1.001 -18.766 4.477 1.00 1.98 H new ATOM 948 N VAL A 836 -1.366 -17.232 4.250 1.00 0.20 N ATOM 949 CA VAL A 836 -2.419 -17.448 5.229 1.00 0.22 C ATOM 950 C VAL A 836 -3.492 -16.373 5.082 1.00 0.22 C ATOM 951 O VAL A 836 -4.687 -16.670 5.093 1.00 0.27 O ATOM 952 CB VAL A 836 -1.859 -17.477 6.677 1.00 0.24 C ATOM 953 CG1 VAL A 836 -2.089 -16.160 7.407 1.00 0.67 C ATOM 954 CG2 VAL A 836 -2.467 -18.633 7.456 1.00 0.62 C ATOM 0 H VAL A 836 -0.491 -16.887 4.644 1.00 0.20 H new ATOM 0 HA VAL A 836 -2.865 -18.424 5.039 1.00 0.22 H new ATOM 0 HB VAL A 836 -0.781 -17.623 6.607 1.00 0.24 H new ATOM 0 HG11 VAL A 836 -1.681 -16.227 8.416 1.00 0.67 H new ATOM 0 HG12 VAL A 836 -1.593 -15.353 6.868 1.00 0.67 H new ATOM 0 HG13 VAL A 836 -3.158 -15.956 7.461 1.00 0.67 H new ATOM 0 HG21 VAL A 836 -2.065 -18.640 8.469 1.00 0.62 H new ATOM 0 HG22 VAL A 836 -3.550 -18.515 7.496 1.00 0.62 H new ATOM 0 HG23 VAL A 836 -2.223 -19.573 6.962 1.00 0.62 H new ATOM 964 N ALA A 837 -3.056 -15.125 4.921 1.00 0.20 N ATOM 965 CA ALA A 837 -3.985 -14.016 4.744 1.00 0.20 C ATOM 966 C ALA A 837 -4.679 -14.125 3.394 1.00 0.20 C ATOM 967 O ALA A 837 -5.789 -13.622 3.210 1.00 0.21 O ATOM 968 CB ALA A 837 -3.266 -12.681 4.861 1.00 0.22 C ATOM 0 H ALA A 837 -2.071 -14.860 4.910 1.00 0.20 H new ATOM 0 HA ALA A 837 -4.735 -14.068 5.533 1.00 0.20 H new ATOM 0 HB1 ALA A 837 -3.981 -11.870 4.725 1.00 0.22 H new ATOM 0 HB2 ALA A 837 -2.808 -12.600 5.847 1.00 0.22 H new ATOM 0 HB3 ALA A 837 -2.493 -12.616 4.095 1.00 0.22 H new ATOM 974 N LYS A 838 -4.019 -14.795 2.452 1.00 0.21 N ATOM 975 CA LYS A 838 -4.579 -14.982 1.117 1.00 0.24 C ATOM 976 C LYS A 838 -5.714 -15.995 1.164 1.00 0.24 C ATOM 977 O LYS A 838 -6.753 -15.810 0.527 1.00 0.26 O ATOM 978 CB LYS A 838 -3.497 -15.449 0.139 1.00 0.28 C ATOM 979 CG LYS A 838 -2.836 -14.310 -0.622 1.00 0.38 C ATOM 980 CD LYS A 838 -1.919 -14.825 -1.720 1.00 0.49 C ATOM 981 CE LYS A 838 -0.700 -15.532 -1.148 1.00 0.68 C ATOM 982 NZ LYS A 838 0.068 -16.252 -2.200 1.00 0.85 N ATOM 0 H LYS A 838 -3.100 -15.216 2.588 1.00 0.21 H new ATOM 0 HA LYS A 838 -4.970 -14.026 0.769 1.00 0.24 H new ATOM 0 HB2 LYS A 838 -2.734 -15.999 0.689 1.00 0.28 H new ATOM 0 HB3 LYS A 838 -3.939 -16.144 -0.575 1.00 0.28 H new ATOM 0 HG2 LYS A 838 -3.603 -13.671 -1.059 1.00 0.38 H new ATOM 0 HG3 LYS A 838 -2.263 -13.693 0.071 1.00 0.38 H new ATOM 0 HD2 LYS A 838 -2.470 -15.512 -2.362 1.00 0.49 H new ATOM 0 HD3 LYS A 838 -1.597 -13.993 -2.346 1.00 0.49 H new ATOM 0 HE2 LYS A 838 -0.053 -14.803 -0.661 1.00 0.68 H new ATOM 0 HE3 LYS A 838 -1.017 -16.239 -0.382 1.00 0.68 H new ATOM 0 HZ1 LYS A 838 0.693 -16.954 -1.755 1.00 0.85 H new ATOM 0 HZ2 LYS A 838 -0.592 -16.734 -2.843 1.00 0.85 H new ATOM 0 HZ3 LYS A 838 0.641 -15.571 -2.739 1.00 0.85 H new ATOM 996 N GLU A 839 -5.515 -17.056 1.938 1.00 0.26 N ATOM 997 CA GLU A 839 -6.527 -18.093 2.086 1.00 0.29 C ATOM 998 C GLU A 839 -7.765 -17.521 2.763 1.00 0.27 C ATOM 999 O GLU A 839 -8.888 -17.949 2.494 1.00 0.31 O ATOM 1000 CB GLU A 839 -5.978 -19.264 2.903 1.00 0.34 C ATOM 1001 CG GLU A 839 -6.808 -20.530 2.780 1.00 0.71 C ATOM 1002 CD GLU A 839 -6.792 -21.101 1.376 1.00 1.28 C ATOM 1003 OE1 GLU A 839 -5.689 -21.274 0.818 1.00 1.95 O ATOM 1004 OE2 GLU A 839 -7.884 -21.374 0.834 1.00 1.82 O ATOM 0 H GLU A 839 -4.662 -17.220 2.472 1.00 0.26 H new ATOM 0 HA GLU A 839 -6.799 -18.457 1.095 1.00 0.29 H new ATOM 0 HB2 GLU A 839 -4.958 -19.475 2.581 1.00 0.34 H new ATOM 0 HB3 GLU A 839 -5.927 -18.973 3.952 1.00 0.34 H new ATOM 0 HG2 GLU A 839 -6.430 -21.278 3.477 1.00 0.71 H new ATOM 0 HG3 GLU A 839 -7.837 -20.316 3.070 1.00 0.71 H new ATOM 1011 N MET A 840 -7.548 -16.541 3.634 1.00 0.25 N ATOM 1012 CA MET A 840 -8.643 -15.894 4.346 1.00 0.24 C ATOM 1013 C MET A 840 -9.499 -15.091 3.374 1.00 0.24 C ATOM 1014 O MET A 840 -10.724 -15.062 3.484 1.00 0.27 O ATOM 1015 CB MET A 840 -8.090 -14.987 5.450 1.00 0.24 C ATOM 1016 CG MET A 840 -9.032 -13.862 5.857 1.00 0.26 C ATOM 1017 SD MET A 840 -8.172 -12.492 6.653 1.00 0.30 S ATOM 1018 CE MET A 840 -7.346 -11.749 5.248 1.00 0.27 C ATOM 0 H MET A 840 -6.623 -16.178 3.864 1.00 0.25 H new ATOM 0 HA MET A 840 -9.267 -16.660 4.806 1.00 0.24 H new ATOM 0 HB2 MET A 840 -7.866 -15.594 6.327 1.00 0.24 H new ATOM 0 HB3 MET A 840 -7.148 -14.554 5.113 1.00 0.24 H new ATOM 0 HG2 MET A 840 -9.555 -13.494 4.974 1.00 0.26 H new ATOM 0 HG3 MET A 840 -9.789 -14.255 6.536 1.00 0.26 H new ATOM 0 HE1 MET A 840 -6.271 -11.733 5.425 1.00 0.27 H new ATOM 0 HE2 MET A 840 -7.558 -12.332 4.352 1.00 0.27 H new ATOM 0 HE3 MET A 840 -7.706 -10.729 5.111 1.00 0.27 H new ATOM 1028 N LEU A 841 -8.838 -14.442 2.420 1.00 0.22 N ATOM 1029 CA LEU A 841 -9.529 -13.638 1.420 1.00 0.24 C ATOM 1030 C LEU A 841 -10.317 -14.527 0.463 1.00 0.24 C ATOM 1031 O LEU A 841 -11.420 -14.177 0.044 1.00 0.28 O ATOM 1032 CB LEU A 841 -8.527 -12.786 0.636 1.00 0.26 C ATOM 1033 CG LEU A 841 -7.932 -11.610 1.413 1.00 0.32 C ATOM 1034 CD1 LEU A 841 -6.670 -11.105 0.731 1.00 0.47 C ATOM 1035 CD2 LEU A 841 -8.952 -10.490 1.549 1.00 0.38 C ATOM 0 H LEU A 841 -7.823 -14.458 2.319 1.00 0.22 H new ATOM 0 HA LEU A 841 -10.227 -12.979 1.937 1.00 0.24 H new ATOM 0 HB2 LEU A 841 -7.713 -13.428 0.298 1.00 0.26 H new ATOM 0 HB3 LEU A 841 -9.020 -12.400 -0.256 1.00 0.26 H new ATOM 0 HG LEU A 841 -7.667 -11.956 2.412 1.00 0.32 H new ATOM 0 HD11 LEU A 841 -6.260 -10.269 1.297 1.00 0.47 H new ATOM 0 HD12 LEU A 841 -5.934 -11.908 0.686 1.00 0.47 H new ATOM 0 HD13 LEU A 841 -6.910 -10.776 -0.280 1.00 0.47 H new ATOM 0 HD21 LEU A 841 -8.511 -9.662 2.104 1.00 0.38 H new ATOM 0 HD22 LEU A 841 -9.248 -10.145 0.558 1.00 0.38 H new ATOM 0 HD23 LEU A 841 -9.828 -10.859 2.082 1.00 0.38 H new ATOM 1047 N ALA A 842 -9.746 -15.680 0.124 1.00 0.30 N ATOM 1048 CA ALA A 842 -10.397 -16.619 -0.780 1.00 0.35 C ATOM 1049 C ALA A 842 -11.637 -17.226 -0.139 1.00 0.36 C ATOM 1050 O ALA A 842 -12.595 -17.577 -0.828 1.00 0.49 O ATOM 1051 CB ALA A 842 -9.433 -17.718 -1.185 1.00 0.49 C ATOM 0 H ALA A 842 -8.834 -15.985 0.463 1.00 0.30 H new ATOM 0 HA ALA A 842 -10.704 -16.069 -1.670 1.00 0.35 H new ATOM 0 HB1 ALA A 842 -9.934 -18.411 -1.860 1.00 0.49 H new ATOM 0 HB2 ALA A 842 -8.572 -17.279 -1.689 1.00 0.49 H new ATOM 0 HB3 ALA A 842 -9.099 -18.254 -0.297 1.00 0.49 H new ATOM 1057 N GLU A 843 -11.614 -17.342 1.184 1.00 0.34 N ATOM 1058 CA GLU A 843 -12.739 -17.903 1.922 1.00 0.42 C ATOM 1059 C GLU A 843 -13.951 -16.981 1.836 1.00 0.53 C ATOM 1060 O GLU A 843 -14.997 -17.259 2.423 1.00 0.69 O ATOM 1061 CB GLU A 843 -12.355 -18.127 3.387 1.00 0.45 C ATOM 1062 CG GLU A 843 -13.201 -19.180 4.084 1.00 0.57 C ATOM 1063 CD GLU A 843 -12.799 -19.386 5.533 1.00 1.05 C ATOM 1064 OE1 GLU A 843 -12.750 -18.390 6.284 1.00 1.36 O ATOM 1065 OE2 GLU A 843 -12.532 -20.545 5.913 1.00 1.68 O ATOM 0 H GLU A 843 -10.828 -17.055 1.767 1.00 0.34 H new ATOM 0 HA GLU A 843 -12.998 -18.862 1.473 1.00 0.42 H new ATOM 0 HB2 GLU A 843 -11.307 -18.423 3.438 1.00 0.45 H new ATOM 0 HB3 GLU A 843 -12.447 -17.184 3.926 1.00 0.45 H new ATOM 0 HG2 GLU A 843 -14.250 -18.886 4.040 1.00 0.57 H new ATOM 0 HG3 GLU A 843 -13.112 -20.125 3.548 1.00 0.57 H new ATOM 1072 N ASN A 844 -13.800 -15.885 1.100 1.00 0.54 N ATOM 1073 CA ASN A 844 -14.883 -14.920 0.933 1.00 0.77 C ATOM 1074 C ASN A 844 -14.893 -14.352 -0.482 1.00 0.81 C ATOM 1075 O ASN A 844 -15.508 -13.316 -0.739 1.00 1.48 O ATOM 1076 CB ASN A 844 -14.745 -13.783 1.951 1.00 0.89 C ATOM 1077 CG ASN A 844 -14.458 -14.289 3.351 1.00 1.06 C ATOM 1078 OD1 ASN A 844 -13.342 -14.161 3.853 1.00 1.96 O ATOM 1079 ND2 ASN A 844 -15.469 -14.868 3.986 1.00 1.05 N ATOM 0 H ASN A 844 -12.939 -15.642 0.610 1.00 0.54 H new ATOM 0 HA ASN A 844 -15.826 -15.439 1.104 1.00 0.77 H new ATOM 0 HB2 ASN A 844 -13.943 -13.115 1.638 1.00 0.89 H new ATOM 0 HB3 ASN A 844 -15.663 -13.196 1.962 1.00 0.89 H new ATOM 0 HD21 ASN A 844 -15.338 -15.229 4.931 1.00 1.05 H new ATOM 0 HD22 ASN A 844 -16.377 -14.952 3.529 1.00 1.05 H new ATOM 1086 N ASN A 845 -14.209 -15.038 -1.395 1.00 0.49 N ATOM 1087 CA ASN A 845 -14.136 -14.607 -2.790 1.00 0.56 C ATOM 1088 C ASN A 845 -13.520 -13.214 -2.902 1.00 0.48 C ATOM 1089 O ASN A 845 -13.629 -12.558 -3.938 1.00 0.57 O ATOM 1090 CB ASN A 845 -15.528 -14.616 -3.425 1.00 0.73 C ATOM 1091 CG ASN A 845 -15.993 -16.014 -3.783 1.00 1.33 C ATOM 1092 OD1 ASN A 845 -16.294 -16.304 -4.942 1.00 1.99 O ATOM 1093 ND2 ASN A 845 -16.057 -16.891 -2.787 1.00 1.97 N ATOM 0 H ASN A 845 -13.696 -15.896 -1.194 1.00 0.49 H new ATOM 0 HA ASN A 845 -13.497 -15.309 -3.325 1.00 0.56 H new ATOM 0 HB2 ASN A 845 -16.241 -14.165 -2.736 1.00 0.73 H new ATOM 0 HB3 ASN A 845 -15.518 -13.999 -4.323 1.00 0.73 H new ATOM 0 HD21 ASN A 845 -16.365 -17.847 -2.968 1.00 1.97 H new ATOM 0 HD22 ASN A 845 -15.798 -16.609 -1.842 1.00 1.97 H new ATOM 1100 N GLU A 846 -12.870 -12.771 -1.831 1.00 0.35 N ATOM 1101 CA GLU A 846 -12.235 -11.458 -1.807 1.00 0.31 C ATOM 1102 C GLU A 846 -10.888 -11.493 -2.523 1.00 0.30 C ATOM 1103 O GLU A 846 -10.353 -12.565 -2.806 1.00 0.49 O ATOM 1104 CB GLU A 846 -12.047 -10.986 -0.363 1.00 0.33 C ATOM 1105 CG GLU A 846 -13.172 -10.095 0.139 1.00 0.44 C ATOM 1106 CD GLU A 846 -13.747 -10.568 1.460 1.00 1.38 C ATOM 1107 OE1 GLU A 846 -12.965 -11.046 2.309 1.00 2.30 O ATOM 1108 OE2 GLU A 846 -14.977 -10.460 1.646 1.00 1.69 O ATOM 0 H GLU A 846 -12.769 -13.303 -0.967 1.00 0.35 H new ATOM 0 HA GLU A 846 -12.886 -10.757 -2.329 1.00 0.31 H new ATOM 0 HB2 GLU A 846 -11.967 -11.857 0.287 1.00 0.33 H new ATOM 0 HB3 GLU A 846 -11.104 -10.444 -0.287 1.00 0.33 H new ATOM 0 HG2 GLU A 846 -12.800 -9.077 0.253 1.00 0.44 H new ATOM 0 HG3 GLU A 846 -13.966 -10.063 -0.608 1.00 0.44 H new ATOM 1115 N LYS A 847 -10.348 -10.314 -2.815 1.00 0.27 N ATOM 1116 CA LYS A 847 -9.063 -10.207 -3.499 1.00 0.31 C ATOM 1117 C LYS A 847 -8.408 -8.856 -3.222 1.00 0.36 C ATOM 1118 O LYS A 847 -7.439 -8.480 -3.880 1.00 0.67 O ATOM 1119 CB LYS A 847 -9.245 -10.396 -5.006 1.00 0.38 C ATOM 1120 CG LYS A 847 -10.482 -9.708 -5.563 1.00 0.69 C ATOM 1121 CD LYS A 847 -11.400 -10.695 -6.266 1.00 0.97 C ATOM 1122 CE LYS A 847 -11.628 -10.308 -7.718 1.00 1.32 C ATOM 1123 NZ LYS A 847 -12.243 -11.418 -8.497 1.00 1.98 N ATOM 0 H LYS A 847 -10.780 -9.418 -2.589 1.00 0.27 H new ATOM 0 HA LYS A 847 -8.412 -10.993 -3.116 1.00 0.31 H new ATOM 0 HB2 LYS A 847 -8.364 -10.012 -5.520 1.00 0.38 H new ATOM 0 HB3 LYS A 847 -9.303 -11.462 -5.225 1.00 0.38 H new ATOM 0 HG2 LYS A 847 -11.024 -9.219 -4.753 1.00 0.69 H new ATOM 0 HG3 LYS A 847 -10.182 -8.927 -6.262 1.00 0.69 H new ATOM 0 HD2 LYS A 847 -10.966 -11.694 -6.219 1.00 0.97 H new ATOM 0 HD3 LYS A 847 -12.357 -10.738 -5.745 1.00 0.97 H new ATOM 0 HE2 LYS A 847 -12.274 -9.431 -7.763 1.00 1.32 H new ATOM 0 HE3 LYS A 847 -10.678 -10.028 -8.173 1.00 1.32 H new ATOM 0 HZ1 LYS A 847 -12.383 -11.115 -9.482 1.00 1.98 H new ATOM 0 HZ2 LYS A 847 -11.615 -12.247 -8.475 1.00 1.98 H new ATOM 0 HZ3 LYS A 847 -13.162 -11.669 -8.078 1.00 1.98 H new ATOM 1137 N PHE A 848 -8.946 -8.134 -2.244 1.00 0.32 N ATOM 1138 CA PHE A 848 -8.415 -6.825 -1.880 1.00 0.37 C ATOM 1139 C PHE A 848 -7.696 -6.882 -0.536 1.00 0.30 C ATOM 1140 O PHE A 848 -8.250 -7.358 0.456 1.00 0.39 O ATOM 1141 CB PHE A 848 -9.541 -5.792 -1.834 1.00 0.50 C ATOM 1142 CG PHE A 848 -9.874 -5.200 -3.176 1.00 0.52 C ATOM 1143 CD1 PHE A 848 -10.128 -6.021 -4.263 1.00 0.82 C ATOM 1144 CD2 PHE A 848 -9.935 -3.825 -3.351 1.00 0.92 C ATOM 1145 CE1 PHE A 848 -10.435 -5.482 -5.499 1.00 1.02 C ATOM 1146 CE2 PHE A 848 -10.241 -3.282 -4.583 1.00 1.09 C ATOM 1147 CZ PHE A 848 -10.490 -4.102 -5.654 1.00 0.98 C ATOM 0 H PHE A 848 -9.748 -8.433 -1.690 1.00 0.32 H new ATOM 0 HA PHE A 848 -7.692 -6.528 -2.640 1.00 0.37 H new ATOM 0 HB2 PHE A 848 -10.435 -6.260 -1.421 1.00 0.50 H new ATOM 0 HB3 PHE A 848 -9.258 -4.989 -1.153 1.00 0.50 H new ATOM 0 HD1 PHE A 848 -10.086 -7.094 -4.144 1.00 0.82 H new ATOM 0 HD2 PHE A 848 -9.741 -3.171 -2.513 1.00 0.92 H new ATOM 0 HE1 PHE A 848 -10.631 -6.131 -6.340 1.00 1.02 H new ATOM 0 HE2 PHE A 848 -10.284 -2.210 -4.704 1.00 1.09 H new ATOM 0 HZ PHE A 848 -10.729 -3.676 -6.617 1.00 0.98 H new ATOM 1157 N LEU A 849 -6.458 -6.399 -0.513 1.00 0.27 N ATOM 1158 CA LEU A 849 -5.657 -6.397 0.707 1.00 0.23 C ATOM 1159 C LEU A 849 -5.295 -4.972 1.121 1.00 0.24 C ATOM 1160 O LEU A 849 -4.796 -4.188 0.313 1.00 0.32 O ATOM 1161 CB LEU A 849 -4.385 -7.228 0.500 1.00 0.26 C ATOM 1162 CG LEU A 849 -3.872 -7.987 1.733 1.00 0.31 C ATOM 1163 CD1 LEU A 849 -3.011 -7.079 2.593 1.00 0.53 C ATOM 1164 CD2 LEU A 849 -5.025 -8.560 2.547 1.00 0.74 C ATOM 0 H LEU A 849 -5.987 -6.003 -1.326 1.00 0.27 H new ATOM 0 HA LEU A 849 -6.249 -6.842 1.507 1.00 0.23 H new ATOM 0 HB2 LEU A 849 -4.571 -7.950 -0.296 1.00 0.26 H new ATOM 0 HB3 LEU A 849 -3.594 -6.565 0.150 1.00 0.26 H new ATOM 0 HG LEU A 849 -3.262 -8.821 1.386 1.00 0.31 H new ATOM 0 HD11 LEU A 849 -2.655 -7.632 3.463 1.00 0.53 H new ATOM 0 HD12 LEU A 849 -2.158 -6.729 2.012 1.00 0.53 H new ATOM 0 HD13 LEU A 849 -3.601 -6.224 2.923 1.00 0.53 H new ATOM 0 HD21 LEU A 849 -4.630 -9.091 3.413 1.00 0.74 H new ATOM 0 HD22 LEU A 849 -5.672 -7.749 2.883 1.00 0.74 H new ATOM 0 HD23 LEU A 849 -5.599 -9.250 1.929 1.00 0.74 H new ATOM 1176 N ASN A 850 -5.560 -4.647 2.387 1.00 0.23 N ATOM 1177 CA ASN A 850 -5.276 -3.318 2.921 1.00 0.29 C ATOM 1178 C ASN A 850 -3.860 -3.239 3.490 1.00 0.30 C ATOM 1179 O ASN A 850 -3.202 -4.262 3.677 1.00 0.43 O ATOM 1180 CB ASN A 850 -6.290 -2.966 4.011 1.00 0.37 C ATOM 1181 CG ASN A 850 -7.691 -2.776 3.460 1.00 0.64 C ATOM 1182 OD1 ASN A 850 -8.293 -3.709 2.929 1.00 1.52 O ATOM 1183 ND2 ASN A 850 -8.215 -1.562 3.582 1.00 0.92 N ATOM 0 H ASN A 850 -5.973 -5.290 3.063 1.00 0.23 H new ATOM 0 HA ASN A 850 -5.355 -2.603 2.102 1.00 0.29 H new ATOM 0 HB2 ASN A 850 -6.302 -3.757 4.761 1.00 0.37 H new ATOM 0 HB3 ASN A 850 -5.974 -2.053 4.516 1.00 0.37 H new ATOM 0 HD21 ASN A 850 -9.153 -1.373 3.228 1.00 0.92 H new ATOM 0 HD22 ASN A 850 -7.680 -0.818 4.030 1.00 0.92 H new ATOM 1190 N ILE A 851 -3.399 -2.020 3.764 1.00 0.31 N ATOM 1191 CA ILE A 851 -2.063 -1.817 4.314 1.00 0.36 C ATOM 1192 C ILE A 851 -2.098 -0.895 5.532 1.00 0.53 C ATOM 1193 O ILE A 851 -3.061 -0.155 5.727 1.00 0.71 O ATOM 1194 CB ILE A 851 -1.105 -1.251 3.258 1.00 0.41 C ATOM 1195 CG1 ILE A 851 -1.136 -2.146 2.032 1.00 0.54 C ATOM 1196 CG2 ILE A 851 0.309 -1.150 3.797 1.00 0.53 C ATOM 1197 CD1 ILE A 851 -0.480 -1.544 0.808 1.00 1.04 C ATOM 0 H ILE A 851 -3.930 -1.162 3.614 1.00 0.31 H new ATOM 0 HA ILE A 851 -1.695 -2.794 4.628 1.00 0.36 H new ATOM 0 HB ILE A 851 -1.429 -0.245 2.992 1.00 0.41 H new ATOM 0 HG12 ILE A 851 -0.640 -3.087 2.270 1.00 0.54 H new ATOM 0 HG13 ILE A 851 -2.173 -2.383 1.795 1.00 0.54 H new ATOM 0 HG21 ILE A 851 0.964 -0.746 3.026 1.00 0.53 H new ATOM 0 HG22 ILE A 851 0.321 -0.491 4.665 1.00 0.53 H new ATOM 0 HG23 ILE A 851 0.659 -2.140 4.088 1.00 0.53 H new ATOM 0 HD11 ILE A 851 -0.545 -2.247 -0.023 1.00 1.04 H new ATOM 0 HD12 ILE A 851 -0.989 -0.618 0.541 1.00 1.04 H new ATOM 0 HD13 ILE A 851 0.568 -1.333 1.023 1.00 1.04 H new