USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 548 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 819 GLN : amide:sc= -6.62! C(o=-11!,f=-4.7!) USER MOD Set 1.2: A 850 ASN : amide:sc= -4.14! K(o=-11!,f=-4.1) USER MOD Single : A 782 THR OG1 : rot 132:sc= 0.845 USER MOD Single : A 787 LYS NZ :NH3+ 162:sc= -0.0838 (180deg=-0.446) USER MOD Single : A 790 ASN : amide:sc= -1.2 K(o=-1.2,f=-0.6) USER MOD Single : A 796 MET CE :methyl 163:sc= -0.132 (180deg=-0.537) USER MOD Single : A 799 ASN : amide:sc= -2.53! K(o=-2.5!,f=-0.027) USER MOD Single : A 800 SER OG : rot 82:sc= 0.546 USER MOD Single : A 801 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 814 THR OG1 : rot 18:sc= 0.966 USER MOD Single : A 815 LYS NZ :NH3+ -157:sc= -0.0849 (180deg=-0.548) 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 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc= 0 K(o=0,f=-2.8!) USER MOD Single : A 838 LYS NZ :NH3+ 142:sc= 0.0328 (180deg=-0.535) USER MOD Single : A 840 MET CE :methyl -121:sc= -1.78 (180deg=-4.83!) USER MOD Single : A 844 ASN : amide:sc= 0.319 X(o=0.32,f=-0.011) USER MOD Single : A 845 ASN : amide:sc= -0.0887 X(o=-0.089,f=-0.41) USER MOD Single : A 847 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 854 TYR OH : rot 180:sc= -0.272 USER MOD ----------------------------------------------------------------- ATOM 14 N GLU A 779 -7.787 -10.348 -1.219 1.00 0.78 N ATOM 15 CA GLU A 779 -6.740 -10.276 -0.209 1.00 0.85 C ATOM 16 C GLU A 779 -5.413 -10.098 -0.907 1.00 0.75 C ATOM 17 O GLU A 779 -4.430 -10.795 -0.643 1.00 1.17 O ATOM 18 CB GLU A 779 -6.727 -11.512 0.701 1.00 1.60 C ATOM 19 CG GLU A 779 -8.107 -12.021 1.099 1.00 1.95 C ATOM 20 CD GLU A 779 -8.939 -11.012 1.868 1.00 2.62 C ATOM 21 OE1 GLU A 779 -9.310 -9.975 1.277 1.00 3.25 O ATOM 22 OE2 GLU A 779 -9.201 -11.227 3.070 1.00 2.92 O ATOM 0 HA GLU A 779 -6.935 -9.424 0.442 1.00 0.85 H new ATOM 0 HB2 GLU A 779 -6.190 -12.314 0.194 1.00 1.60 H new ATOM 0 HB3 GLU A 779 -6.167 -11.275 1.605 1.00 1.60 H new ATOM 0 HG2 GLU A 779 -8.649 -12.313 0.199 1.00 1.95 H new ATOM 0 HG3 GLU A 779 -7.991 -12.919 1.706 1.00 1.95 H new ATOM 29 N ILE A 780 -5.451 -9.185 -1.851 1.00 0.62 N ATOM 30 CA ILE A 780 -4.325 -8.874 -2.708 1.00 0.43 C ATOM 31 C ILE A 780 -4.707 -7.728 -3.646 1.00 0.37 C ATOM 32 O ILE A 780 -5.845 -7.643 -4.115 1.00 0.49 O ATOM 33 CB ILE A 780 -3.846 -10.120 -3.511 1.00 0.45 C ATOM 34 CG1 ILE A 780 -2.346 -10.356 -3.275 1.00 0.75 C ATOM 35 CG2 ILE A 780 -4.138 -9.991 -5.002 1.00 0.74 C ATOM 36 CD1 ILE A 780 -1.478 -9.169 -3.634 1.00 0.51 C ATOM 0 H ILE A 780 -6.281 -8.626 -2.050 1.00 0.62 H new ATOM 0 HA ILE A 780 -3.487 -8.565 -2.083 1.00 0.43 H new ATOM 0 HB ILE A 780 -4.408 -10.980 -3.147 1.00 0.45 H new ATOM 0 HG12 ILE A 780 -2.188 -10.606 -2.226 1.00 0.75 H new ATOM 0 HG13 ILE A 780 -2.027 -11.218 -3.860 1.00 0.75 H new ATOM 0 HG21 ILE A 780 -3.786 -10.883 -5.520 1.00 0.74 H new ATOM 0 HG22 ILE A 780 -5.212 -9.882 -5.154 1.00 0.74 H new ATOM 0 HG23 ILE A 780 -3.625 -9.115 -5.399 1.00 0.74 H new ATOM 0 HD11 ILE A 780 -0.433 -9.411 -3.441 1.00 0.51 H new ATOM 0 HD12 ILE A 780 -1.606 -8.931 -4.690 1.00 0.51 H new ATOM 0 HD13 ILE A 780 -1.769 -8.309 -3.030 1.00 0.51 H new ATOM 48 N PHE A 781 -3.813 -6.770 -3.742 1.00 0.28 N ATOM 49 CA PHE A 781 -4.045 -5.530 -4.457 1.00 0.26 C ATOM 50 C PHE A 781 -2.709 -5.046 -4.989 1.00 0.22 C ATOM 51 O PHE A 781 -1.682 -5.360 -4.409 1.00 0.21 O ATOM 52 CB PHE A 781 -4.686 -4.497 -3.517 1.00 0.29 C ATOM 53 CG PHE A 781 -4.981 -3.170 -4.154 1.00 0.34 C ATOM 54 CD1 PHE A 781 -5.465 -3.109 -5.449 1.00 0.41 C ATOM 55 CD2 PHE A 781 -4.782 -1.989 -3.462 1.00 0.37 C ATOM 56 CE1 PHE A 781 -5.745 -1.895 -6.041 1.00 0.50 C ATOM 57 CE2 PHE A 781 -5.063 -0.774 -4.047 1.00 0.44 C ATOM 58 CZ PHE A 781 -5.504 -0.712 -5.323 1.00 0.52 C ATOM 0 H PHE A 781 -2.887 -6.829 -3.319 1.00 0.28 H new ATOM 0 HA PHE A 781 -4.733 -5.680 -5.289 1.00 0.26 H new ATOM 0 HB2 PHE A 781 -5.614 -4.911 -3.123 1.00 0.29 H new ATOM 0 HB3 PHE A 781 -4.022 -4.338 -2.667 1.00 0.29 H new ATOM 0 HD1 PHE A 781 -5.625 -4.022 -6.003 1.00 0.41 H new ATOM 0 HD2 PHE A 781 -4.402 -2.020 -2.452 1.00 0.37 H new ATOM 0 HE1 PHE A 781 -6.144 -1.855 -7.044 1.00 0.50 H new ATOM 0 HE2 PHE A 781 -4.930 0.136 -3.481 1.00 0.44 H new ATOM 0 HZ PHE A 781 -5.671 0.247 -5.791 1.00 0.52 H new ATOM 68 N THR A 782 -2.696 -4.404 -6.138 1.00 0.23 N ATOM 69 CA THR A 782 -1.438 -4.006 -6.737 1.00 0.23 C ATOM 70 C THR A 782 -1.443 -2.519 -7.046 1.00 0.23 C ATOM 71 O THR A 782 -2.443 -1.961 -7.504 1.00 0.25 O ATOM 72 CB THR A 782 -1.129 -4.806 -8.024 1.00 0.29 C ATOM 73 OG1 THR A 782 0.125 -4.388 -8.573 1.00 1.39 O ATOM 74 CG2 THR A 782 -2.222 -4.629 -9.067 1.00 1.34 C ATOM 0 H THR A 782 -3.528 -4.149 -6.670 1.00 0.23 H new ATOM 0 HA THR A 782 -0.655 -4.224 -6.011 1.00 0.23 H new ATOM 0 HB THR A 782 -1.081 -5.861 -7.754 1.00 0.29 H new ATOM 0 HG1 THR A 782 0.671 -5.175 -8.778 1.00 1.39 H new ATOM 0 HG21 THR A 782 -1.972 -5.205 -9.958 1.00 1.34 H new ATOM 0 HG22 THR A 782 -3.171 -4.980 -8.663 1.00 1.34 H new ATOM 0 HG23 THR A 782 -2.307 -3.574 -9.329 1.00 1.34 H new ATOM 82 N LEU A 783 -0.381 -1.869 -6.609 1.00 0.22 N ATOM 83 CA LEU A 783 -0.257 -0.429 -6.682 1.00 0.21 C ATOM 84 C LEU A 783 1.216 -0.067 -6.823 1.00 0.21 C ATOM 85 O LEU A 783 2.085 -0.822 -6.394 1.00 0.23 O ATOM 86 CB LEU A 783 -0.865 0.219 -5.433 1.00 0.26 C ATOM 87 CG LEU A 783 -1.067 1.734 -5.510 1.00 0.35 C ATOM 88 CD1 LEU A 783 -1.929 2.107 -6.706 1.00 0.83 C ATOM 89 CD2 LEU A 783 -1.697 2.249 -4.227 1.00 0.61 C ATOM 0 H LEU A 783 0.426 -2.331 -6.190 1.00 0.22 H new ATOM 0 HA LEU A 783 -0.801 -0.054 -7.549 1.00 0.21 H new ATOM 0 HB2 LEU A 783 -1.829 -0.249 -5.235 1.00 0.26 H new ATOM 0 HB3 LEU A 783 -0.222 -0.002 -4.581 1.00 0.26 H new ATOM 0 HG LEU A 783 -0.090 2.201 -5.635 1.00 0.35 H new ATOM 0 HD11 LEU A 783 -2.058 3.189 -6.738 1.00 0.83 H new ATOM 0 HD12 LEU A 783 -1.444 1.772 -7.623 1.00 0.83 H new ATOM 0 HD13 LEU A 783 -2.904 1.628 -6.615 1.00 0.83 H new ATOM 0 HD21 LEU A 783 -1.834 3.328 -4.297 1.00 0.61 H new ATOM 0 HD22 LEU A 783 -2.664 1.769 -4.078 1.00 0.61 H new ATOM 0 HD23 LEU A 783 -1.045 2.020 -3.384 1.00 0.61 H new ATOM 101 N LEU A 784 1.506 1.003 -7.534 1.00 0.20 N ATOM 102 CA LEU A 784 2.883 1.354 -7.819 1.00 0.22 C ATOM 103 C LEU A 784 3.138 2.790 -7.389 1.00 0.21 C ATOM 104 O LEU A 784 2.471 3.718 -7.847 1.00 0.23 O ATOM 105 CB LEU A 784 3.158 1.163 -9.318 1.00 0.29 C ATOM 106 CG LEU A 784 4.628 1.236 -9.754 1.00 0.91 C ATOM 107 CD1 LEU A 784 4.822 0.490 -11.063 1.00 1.53 C ATOM 108 CD2 LEU A 784 5.078 2.681 -9.916 1.00 1.45 C ATOM 0 H LEU A 784 0.812 1.641 -7.923 1.00 0.20 H new ATOM 0 HA LEU A 784 3.560 0.706 -7.262 1.00 0.22 H new ATOM 0 HB2 LEU A 784 2.760 0.194 -9.618 1.00 0.29 H new ATOM 0 HB3 LEU A 784 2.600 1.921 -9.868 1.00 0.29 H new ATOM 0 HG LEU A 784 5.234 0.770 -8.977 1.00 0.91 H new ATOM 0 HD11 LEU A 784 5.868 0.548 -11.363 1.00 1.53 H new ATOM 0 HD12 LEU A 784 4.540 -0.555 -10.932 1.00 1.53 H new ATOM 0 HD13 LEU A 784 4.198 0.941 -11.835 1.00 1.53 H new ATOM 0 HD21 LEU A 784 6.123 2.704 -10.225 1.00 1.45 H new ATOM 0 HD22 LEU A 784 4.465 3.170 -10.673 1.00 1.45 H new ATOM 0 HD23 LEU A 784 4.969 3.205 -8.966 1.00 1.45 H new ATOM 120 N VAL A 785 4.017 2.936 -6.408 1.00 0.22 N ATOM 121 CA VAL A 785 4.288 4.228 -5.796 1.00 0.25 C ATOM 122 C VAL A 785 5.073 5.128 -6.745 1.00 0.34 C ATOM 123 O VAL A 785 5.967 4.668 -7.452 1.00 0.79 O ATOM 124 CB VAL A 785 5.050 4.067 -4.459 1.00 0.28 C ATOM 125 CG1 VAL A 785 4.292 3.136 -3.531 1.00 0.95 C ATOM 126 CG2 VAL A 785 6.463 3.553 -4.679 1.00 1.10 C ATOM 0 H VAL A 785 4.560 2.166 -6.016 1.00 0.22 H new ATOM 0 HA VAL A 785 3.327 4.698 -5.587 1.00 0.25 H new ATOM 0 HB VAL A 785 5.122 5.052 -3.997 1.00 0.28 H new ATOM 0 HG11 VAL A 785 4.839 3.031 -2.594 1.00 0.95 H new ATOM 0 HG12 VAL A 785 3.303 3.548 -3.330 1.00 0.95 H new ATOM 0 HG13 VAL A 785 4.188 2.158 -4.002 1.00 0.95 H new ATOM 0 HG21 VAL A 785 6.967 3.453 -3.718 1.00 1.10 H new ATOM 0 HG22 VAL A 785 6.424 2.582 -5.172 1.00 1.10 H new ATOM 0 HG23 VAL A 785 7.012 4.256 -5.305 1.00 1.10 H new ATOM 136 N GLU A 786 4.672 6.385 -6.832 1.00 0.69 N ATOM 137 CA GLU A 786 5.306 7.300 -7.766 1.00 0.81 C ATOM 138 C GLU A 786 5.888 8.512 -7.044 1.00 0.87 C ATOM 139 O GLU A 786 7.097 8.583 -6.826 1.00 1.56 O ATOM 140 CB GLU A 786 4.305 7.744 -8.833 1.00 0.99 C ATOM 141 CG GLU A 786 4.933 8.533 -9.965 1.00 1.51 C ATOM 142 CD GLU A 786 3.921 9.000 -10.988 1.00 2.26 C ATOM 143 OE1 GLU A 786 2.713 8.781 -10.766 1.00 3.06 O ATOM 144 OE2 GLU A 786 4.324 9.575 -12.023 1.00 2.59 O ATOM 0 H GLU A 786 3.920 6.792 -6.275 1.00 0.69 H new ATOM 0 HA GLU A 786 6.128 6.773 -8.250 1.00 0.81 H new ATOM 0 HB2 GLU A 786 3.812 6.864 -9.245 1.00 0.99 H new ATOM 0 HB3 GLU A 786 3.532 8.352 -8.363 1.00 0.99 H new ATOM 0 HG2 GLU A 786 5.452 9.398 -9.554 1.00 1.51 H new ATOM 0 HG3 GLU A 786 5.683 7.916 -10.459 1.00 1.51 H new ATOM 151 N LYS A 787 5.032 9.469 -6.692 1.00 0.91 N ATOM 152 CA LYS A 787 5.488 10.712 -6.063 1.00 1.01 C ATOM 153 C LYS A 787 5.756 10.537 -4.570 1.00 0.96 C ATOM 154 O LYS A 787 5.412 11.413 -3.773 1.00 1.58 O ATOM 155 CB LYS A 787 4.469 11.839 -6.269 1.00 1.17 C ATOM 156 CG LYS A 787 4.258 12.228 -7.726 1.00 1.21 C ATOM 157 CD LYS A 787 3.061 11.518 -8.344 1.00 1.35 C ATOM 158 CE LYS A 787 1.748 11.980 -7.725 1.00 1.27 C ATOM 159 NZ LYS A 787 1.583 13.456 -7.804 1.00 1.80 N ATOM 0 H LYS A 787 4.023 9.411 -6.830 1.00 0.91 H new ATOM 0 HA LYS A 787 6.426 10.979 -6.549 1.00 1.01 H new ATOM 0 HB2 LYS A 787 3.513 11.532 -5.844 1.00 1.17 H new ATOM 0 HB3 LYS A 787 4.798 12.717 -5.714 1.00 1.17 H new ATOM 0 HG2 LYS A 787 4.114 13.306 -7.795 1.00 1.21 H new ATOM 0 HG3 LYS A 787 5.155 11.989 -8.298 1.00 1.21 H new ATOM 0 HD2 LYS A 787 3.042 11.705 -9.418 1.00 1.35 H new ATOM 0 HD3 LYS A 787 3.167 10.442 -8.209 1.00 1.35 H new ATOM 0 HE2 LYS A 787 0.916 11.495 -8.235 1.00 1.27 H new ATOM 0 HE3 LYS A 787 1.709 11.666 -6.682 1.00 1.27 H new ATOM 0 HZ1 LYS A 787 0.582 13.702 -7.662 1.00 1.80 H new ATOM 0 HZ2 LYS A 787 2.159 13.910 -7.066 1.00 1.80 H new ATOM 0 HZ3 LYS A 787 1.892 13.790 -8.739 1.00 1.80 H new ATOM 173 N VAL A 788 6.429 9.439 -4.217 1.00 0.66 N ATOM 174 CA VAL A 788 6.834 9.159 -2.836 1.00 0.61 C ATOM 175 C VAL A 788 5.705 9.469 -1.852 1.00 0.70 C ATOM 176 O VAL A 788 5.776 10.424 -1.078 1.00 1.70 O ATOM 177 CB VAL A 788 8.106 9.943 -2.443 1.00 0.70 C ATOM 178 CG1 VAL A 788 8.651 9.454 -1.110 1.00 0.87 C ATOM 179 CG2 VAL A 788 9.167 9.822 -3.527 1.00 1.21 C ATOM 0 H VAL A 788 6.709 8.718 -4.881 1.00 0.66 H new ATOM 0 HA VAL A 788 7.060 8.094 -2.784 1.00 0.61 H new ATOM 0 HB VAL A 788 7.837 10.994 -2.339 1.00 0.70 H new ATOM 0 HG11 VAL A 788 9.546 10.020 -0.853 1.00 0.87 H new ATOM 0 HG12 VAL A 788 7.898 9.595 -0.335 1.00 0.87 H new ATOM 0 HG13 VAL A 788 8.900 8.395 -1.185 1.00 0.87 H new ATOM 0 HG21 VAL A 788 10.055 10.381 -3.231 1.00 1.21 H new ATOM 0 HG22 VAL A 788 9.428 8.773 -3.665 1.00 1.21 H new ATOM 0 HG23 VAL A 788 8.779 10.225 -4.462 1.00 1.21 H new ATOM 189 N TRP A 789 4.614 8.734 -1.999 1.00 0.50 N ATOM 190 CA TRP A 789 3.399 8.966 -1.224 1.00 0.33 C ATOM 191 C TRP A 789 3.673 9.040 0.276 1.00 0.29 C ATOM 192 O TRP A 789 4.266 8.128 0.845 1.00 0.34 O ATOM 193 CB TRP A 789 2.418 7.832 -1.492 1.00 0.32 C ATOM 194 CG TRP A 789 1.916 7.781 -2.899 1.00 0.34 C ATOM 195 CD1 TRP A 789 1.735 8.832 -3.751 1.00 0.39 C ATOM 196 CD2 TRP A 789 1.528 6.609 -3.619 1.00 0.34 C ATOM 197 NE1 TRP A 789 1.215 8.386 -4.939 1.00 0.42 N ATOM 198 CE2 TRP A 789 1.086 7.025 -4.883 1.00 0.39 C ATOM 199 CE3 TRP A 789 1.499 5.249 -3.311 1.00 0.34 C ATOM 200 CZ2 TRP A 789 0.621 6.130 -5.835 1.00 0.44 C ATOM 201 CZ3 TRP A 789 1.041 4.361 -4.259 1.00 0.40 C ATOM 202 CH2 TRP A 789 0.603 4.806 -5.509 1.00 0.44 C ATOM 0 H TRP A 789 4.543 7.959 -2.658 1.00 0.50 H new ATOM 0 HA TRP A 789 2.986 9.926 -1.534 1.00 0.33 H new ATOM 0 HB2 TRP A 789 2.901 6.884 -1.255 1.00 0.32 H new ATOM 0 HB3 TRP A 789 1.568 7.934 -0.817 1.00 0.32 H new ATOM 0 HD1 TRP A 789 1.967 9.862 -3.523 1.00 0.39 H new ATOM 0 HE1 TRP A 789 0.965 8.973 -5.735 1.00 0.42 H new ATOM 0 HE3 TRP A 789 1.830 4.898 -2.345 1.00 0.34 H new ATOM 0 HZ2 TRP A 789 0.284 6.471 -6.803 1.00 0.44 H new ATOM 0 HZ3 TRP A 789 1.020 3.305 -4.033 1.00 0.40 H new ATOM 0 HH2 TRP A 789 0.243 4.088 -6.231 1.00 0.44 H new ATOM 213 N ASN A 790 3.144 10.069 0.934 1.00 0.29 N ATOM 214 CA ASN A 790 3.279 10.186 2.392 1.00 0.32 C ATOM 215 C ASN A 790 2.198 9.363 3.105 1.00 0.37 C ATOM 216 O ASN A 790 1.616 9.799 4.098 1.00 0.82 O ATOM 217 CB ASN A 790 3.266 11.661 2.861 1.00 0.39 C ATOM 218 CG ASN A 790 1.897 12.338 2.872 1.00 1.20 C ATOM 219 OD1 ASN A 790 1.613 13.148 3.754 1.00 2.06 O ATOM 220 ND2 ASN A 790 1.062 12.071 1.885 1.00 1.79 N ATOM 0 H ASN A 790 2.624 10.827 0.492 1.00 0.29 H new ATOM 0 HA ASN A 790 4.253 9.778 2.664 1.00 0.32 H new ATOM 0 HB2 ASN A 790 3.682 11.707 3.867 1.00 0.39 H new ATOM 0 HB3 ASN A 790 3.930 12.235 2.215 1.00 0.39 H new ATOM 0 HD21 ASN A 790 0.157 12.540 1.841 1.00 1.79 H new ATOM 0 HD22 ASN A 790 1.321 11.395 1.166 1.00 1.79 H new ATOM 227 N PHE A 791 1.961 8.153 2.581 1.00 0.30 N ATOM 228 CA PHE A 791 0.985 7.197 3.126 1.00 0.25 C ATOM 229 C PHE A 791 -0.447 7.652 2.866 1.00 0.23 C ATOM 230 O PHE A 791 -1.254 6.888 2.342 1.00 0.21 O ATOM 231 CB PHE A 791 1.214 6.961 4.622 1.00 0.28 C ATOM 232 CG PHE A 791 0.388 5.852 5.213 1.00 0.30 C ATOM 233 CD1 PHE A 791 0.308 4.618 4.587 1.00 0.30 C ATOM 234 CD2 PHE A 791 -0.293 6.037 6.405 1.00 0.42 C ATOM 235 CE1 PHE A 791 -0.435 3.593 5.138 1.00 0.36 C ATOM 236 CE2 PHE A 791 -1.036 5.014 6.963 1.00 0.47 C ATOM 237 CZ PHE A 791 -1.109 3.791 6.327 1.00 0.42 C ATOM 0 H PHE A 791 2.448 7.805 1.755 1.00 0.30 H new ATOM 0 HA PHE A 791 1.135 6.250 2.607 1.00 0.25 H new ATOM 0 HB2 PHE A 791 2.268 6.737 4.784 1.00 0.28 H new ATOM 0 HB3 PHE A 791 0.998 7.884 5.160 1.00 0.28 H new ATOM 0 HD1 PHE A 791 0.833 4.456 3.657 1.00 0.30 H new ATOM 0 HD2 PHE A 791 -0.243 6.993 6.905 1.00 0.42 H new ATOM 0 HE1 PHE A 791 -0.489 2.637 4.639 1.00 0.36 H new ATOM 0 HE2 PHE A 791 -1.559 5.171 7.895 1.00 0.47 H new ATOM 0 HZ PHE A 791 -1.692 2.991 6.758 1.00 0.42 H new ATOM 247 N ASP A 792 -0.733 8.915 3.154 1.00 0.26 N ATOM 248 CA ASP A 792 -2.052 9.484 2.897 1.00 0.29 C ATOM 249 C ASP A 792 -2.410 9.351 1.422 1.00 0.25 C ATOM 250 O ASP A 792 -3.488 8.869 1.077 1.00 0.26 O ATOM 251 CB ASP A 792 -2.090 10.957 3.311 1.00 0.38 C ATOM 252 CG ASP A 792 -3.463 11.573 3.126 1.00 1.13 C ATOM 253 OD1 ASP A 792 -4.430 11.082 3.743 1.00 1.74 O ATOM 254 OD2 ASP A 792 -3.579 12.555 2.362 1.00 1.86 O ATOM 0 H ASP A 792 -0.067 9.568 3.567 1.00 0.26 H new ATOM 0 HA ASP A 792 -2.783 8.933 3.489 1.00 0.29 H new ATOM 0 HB2 ASP A 792 -1.792 11.046 4.356 1.00 0.38 H new ATOM 0 HB3 ASP A 792 -1.362 11.516 2.723 1.00 0.38 H new ATOM 259 N ASP A 793 -1.449 9.680 0.563 1.00 0.24 N ATOM 260 CA ASP A 793 -1.609 9.553 -0.887 1.00 0.23 C ATOM 261 C ASP A 793 -1.849 8.106 -1.265 1.00 0.19 C ATOM 262 O ASP A 793 -2.749 7.786 -2.038 1.00 0.18 O ATOM 263 CB ASP A 793 -0.349 10.022 -1.610 1.00 0.28 C ATOM 264 CG ASP A 793 0.158 11.356 -1.134 1.00 0.75 C ATOM 265 OD1 ASP A 793 -0.593 12.344 -1.260 1.00 1.16 O ATOM 266 OD2 ASP A 793 1.305 11.426 -0.647 1.00 1.36 O ATOM 0 H ASP A 793 -0.539 10.041 0.849 1.00 0.24 H new ATOM 0 HA ASP A 793 -2.460 10.168 -1.180 1.00 0.23 H new ATOM 0 HB2 ASP A 793 0.435 9.276 -1.477 1.00 0.28 H new ATOM 0 HB3 ASP A 793 -0.554 10.081 -2.679 1.00 0.28 H new ATOM 271 N LEU A 794 -1.015 7.242 -0.706 1.00 0.18 N ATOM 272 CA LEU A 794 -1.084 5.815 -0.955 1.00 0.17 C ATOM 273 C LEU A 794 -2.461 5.269 -0.587 1.00 0.16 C ATOM 274 O LEU A 794 -3.115 4.641 -1.411 1.00 0.16 O ATOM 275 CB LEU A 794 0.046 5.116 -0.175 1.00 0.19 C ATOM 276 CG LEU A 794 -0.208 3.670 0.256 1.00 0.19 C ATOM 277 CD1 LEU A 794 -0.258 2.742 -0.947 1.00 0.22 C ATOM 278 CD2 LEU A 794 0.865 3.210 1.233 1.00 0.22 C ATOM 0 H LEU A 794 -0.270 7.515 -0.065 1.00 0.18 H new ATOM 0 HA LEU A 794 -0.944 5.615 -2.017 1.00 0.17 H new ATOM 0 HB2 LEU A 794 0.946 5.135 -0.790 1.00 0.19 H new ATOM 0 HB3 LEU A 794 0.258 5.705 0.718 1.00 0.19 H new ATOM 0 HG LEU A 794 -1.177 3.633 0.754 1.00 0.19 H new ATOM 0 HD11 LEU A 794 -0.440 1.721 -0.612 1.00 0.22 H new ATOM 0 HD12 LEU A 794 -1.062 3.053 -1.614 1.00 0.22 H new ATOM 0 HD13 LEU A 794 0.692 2.785 -1.480 1.00 0.22 H new ATOM 0 HD21 LEU A 794 0.669 2.180 1.530 1.00 0.22 H new ATOM 0 HD22 LEU A 794 1.843 3.271 0.755 1.00 0.22 H new ATOM 0 HD23 LEU A 794 0.852 3.850 2.115 1.00 0.22 H new ATOM 290 N ILE A 795 -2.939 5.611 0.602 1.00 0.18 N ATOM 291 CA ILE A 795 -4.264 5.195 1.049 1.00 0.20 C ATOM 292 C ILE A 795 -5.368 5.794 0.178 1.00 0.19 C ATOM 293 O ILE A 795 -6.339 5.112 -0.149 1.00 0.20 O ATOM 294 CB ILE A 795 -4.501 5.551 2.531 1.00 0.28 C ATOM 295 CG1 ILE A 795 -3.540 4.754 3.417 1.00 0.51 C ATOM 296 CG2 ILE A 795 -5.943 5.278 2.935 1.00 0.51 C ATOM 297 CD1 ILE A 795 -3.628 3.251 3.217 1.00 0.48 C ATOM 0 H ILE A 795 -2.427 6.178 1.278 1.00 0.18 H new ATOM 0 HA ILE A 795 -4.303 4.110 0.948 1.00 0.20 H new ATOM 0 HB ILE A 795 -4.311 6.616 2.664 1.00 0.28 H new ATOM 0 HG12 ILE A 795 -2.519 5.079 3.215 1.00 0.51 H new ATOM 0 HG13 ILE A 795 -3.747 4.985 4.462 1.00 0.51 H new ATOM 0 HG21 ILE A 795 -6.082 5.538 3.984 1.00 0.51 H new ATOM 0 HG22 ILE A 795 -6.613 5.879 2.320 1.00 0.51 H new ATOM 0 HG23 ILE A 795 -6.168 4.221 2.790 1.00 0.51 H new ATOM 0 HD11 ILE A 795 -2.918 2.754 3.878 1.00 0.48 H new ATOM 0 HD12 ILE A 795 -4.638 2.912 3.448 1.00 0.48 H new ATOM 0 HD13 ILE A 795 -3.391 3.007 2.181 1.00 0.48 H new ATOM 309 N MET A 796 -5.176 7.033 -0.266 1.00 0.22 N ATOM 310 CA MET A 796 -6.123 7.669 -1.182 1.00 0.26 C ATOM 311 C MET A 796 -6.267 6.837 -2.452 1.00 0.22 C ATOM 312 O MET A 796 -7.378 6.488 -2.852 1.00 0.23 O ATOM 313 CB MET A 796 -5.673 9.088 -1.545 1.00 0.38 C ATOM 314 CG MET A 796 -5.798 10.084 -0.406 1.00 0.93 C ATOM 315 SD MET A 796 -5.197 11.728 -0.839 1.00 2.03 S ATOM 316 CE MET A 796 -6.316 12.158 -2.170 1.00 2.69 C ATOM 0 H MET A 796 -4.379 7.615 -0.009 1.00 0.22 H new ATOM 0 HA MET A 796 -7.087 7.731 -0.677 1.00 0.26 H new ATOM 0 HB2 MET A 796 -4.634 9.056 -1.874 1.00 0.38 H new ATOM 0 HB3 MET A 796 -6.264 9.441 -2.390 1.00 0.38 H new ATOM 0 HG2 MET A 796 -6.843 10.153 -0.104 1.00 0.93 H new ATOM 0 HG3 MET A 796 -5.241 9.715 0.455 1.00 0.93 H new ATOM 0 HE1 MET A 796 -6.281 13.234 -2.341 1.00 2.69 H new ATOM 0 HE2 MET A 796 -6.018 11.636 -3.079 1.00 2.69 H new ATOM 0 HE3 MET A 796 -7.331 11.866 -1.901 1.00 2.69 H new ATOM 326 N ALA A 797 -5.133 6.451 -3.025 1.00 0.21 N ATOM 327 CA ALA A 797 -5.117 5.593 -4.204 1.00 0.22 C ATOM 328 C ALA A 797 -5.716 4.223 -3.886 1.00 0.21 C ATOM 329 O ALA A 797 -6.531 3.699 -4.651 1.00 0.26 O ATOM 330 CB ALA A 797 -3.697 5.452 -4.731 1.00 0.27 C ATOM 0 H ALA A 797 -4.208 6.720 -2.690 1.00 0.21 H new ATOM 0 HA ALA A 797 -5.730 6.055 -4.978 1.00 0.22 H new ATOM 0 HB1 ALA A 797 -3.698 4.809 -5.611 1.00 0.27 H new ATOM 0 HB2 ALA A 797 -3.309 6.435 -5.000 1.00 0.27 H new ATOM 0 HB3 ALA A 797 -3.065 5.011 -3.960 1.00 0.27 H new ATOM 336 N ILE A 798 -5.349 3.687 -2.724 1.00 0.20 N ATOM 337 CA ILE A 798 -5.876 2.409 -2.249 1.00 0.26 C ATOM 338 C ILE A 798 -7.399 2.422 -2.232 1.00 0.27 C ATOM 339 O ILE A 798 -8.049 1.576 -2.839 1.00 0.33 O ATOM 340 CB ILE A 798 -5.385 2.104 -0.812 1.00 0.31 C ATOM 341 CG1 ILE A 798 -3.874 1.911 -0.775 1.00 0.32 C ATOM 342 CG2 ILE A 798 -6.074 0.874 -0.237 1.00 0.43 C ATOM 343 CD1 ILE A 798 -3.378 0.716 -1.553 1.00 0.67 C ATOM 0 H ILE A 798 -4.682 4.123 -2.088 1.00 0.20 H new ATOM 0 HA ILE A 798 -5.516 1.642 -2.935 1.00 0.26 H new ATOM 0 HB ILE A 798 -5.645 2.966 -0.197 1.00 0.31 H new ATOM 0 HG12 ILE A 798 -3.396 2.808 -1.167 1.00 0.32 H new ATOM 0 HG13 ILE A 798 -3.558 1.810 0.263 1.00 0.32 H new ATOM 0 HG21 ILE A 798 -5.706 0.689 0.772 1.00 0.43 H new ATOM 0 HG22 ILE A 798 -7.151 1.041 -0.205 1.00 0.43 H new ATOM 0 HG23 ILE A 798 -5.860 0.010 -0.866 1.00 0.43 H new ATOM 0 HD11 ILE A 798 -2.293 0.654 -1.473 1.00 0.67 H new ATOM 0 HD12 ILE A 798 -3.824 -0.192 -1.148 1.00 0.67 H new ATOM 0 HD13 ILE A 798 -3.659 0.822 -2.601 1.00 0.67 H new ATOM 355 N ASN A 799 -7.951 3.376 -1.499 1.00 0.27 N ATOM 356 CA ASN A 799 -9.389 3.464 -1.286 1.00 0.33 C ATOM 357 C ASN A 799 -10.144 3.755 -2.573 1.00 0.31 C ATOM 358 O ASN A 799 -11.170 3.128 -2.848 1.00 0.40 O ATOM 359 CB ASN A 799 -9.698 4.526 -0.228 1.00 0.40 C ATOM 360 CG ASN A 799 -9.346 4.073 1.182 1.00 0.55 C ATOM 361 OD1 ASN A 799 -9.509 4.818 2.148 1.00 1.21 O ATOM 362 ND2 ASN A 799 -8.866 2.844 1.316 1.00 0.70 N ATOM 0 H ASN A 799 -7.417 4.111 -1.035 1.00 0.27 H new ATOM 0 HA ASN A 799 -9.730 2.492 -0.930 1.00 0.33 H new ATOM 0 HB2 ASN A 799 -9.145 5.436 -0.461 1.00 0.40 H new ATOM 0 HB3 ASN A 799 -10.758 4.777 -0.270 1.00 0.40 H new ATOM 0 HD21 ASN A 799 -8.620 2.491 2.241 1.00 0.70 H new ATOM 0 HD22 ASN A 799 -8.743 2.252 0.494 1.00 0.70 H new ATOM 369 N SER A 800 -9.634 4.681 -3.376 1.00 0.30 N ATOM 370 CA SER A 800 -10.281 5.021 -4.633 1.00 0.35 C ATOM 371 C SER A 800 -10.361 3.805 -5.559 1.00 0.33 C ATOM 372 O SER A 800 -11.399 3.541 -6.161 1.00 0.41 O ATOM 373 CB SER A 800 -9.545 6.175 -5.321 1.00 0.44 C ATOM 374 OG SER A 800 -9.592 7.357 -4.533 1.00 1.29 O ATOM 0 H SER A 800 -8.781 5.205 -3.180 1.00 0.30 H new ATOM 0 HA SER A 800 -11.299 5.342 -4.412 1.00 0.35 H new ATOM 0 HB2 SER A 800 -8.507 5.894 -5.498 1.00 0.44 H new ATOM 0 HB3 SER A 800 -9.994 6.366 -6.296 1.00 0.44 H new ATOM 0 HG SER A 800 -8.899 7.316 -3.841 1.00 1.29 H new ATOM 380 N LYS A 801 -9.271 3.059 -5.674 1.00 0.29 N ATOM 381 CA LYS A 801 -9.258 1.887 -6.539 1.00 0.36 C ATOM 382 C LYS A 801 -10.150 0.763 -5.992 1.00 0.43 C ATOM 383 O LYS A 801 -10.824 0.076 -6.761 1.00 0.58 O ATOM 384 CB LYS A 801 -7.836 1.390 -6.768 1.00 0.43 C ATOM 385 CG LYS A 801 -7.756 0.327 -7.853 1.00 0.86 C ATOM 386 CD LYS A 801 -6.409 0.333 -8.553 1.00 1.06 C ATOM 387 CE LYS A 801 -6.245 1.552 -9.447 1.00 1.13 C ATOM 388 NZ LYS A 801 -4.944 1.549 -10.165 1.00 1.95 N ATOM 0 H LYS A 801 -8.394 3.241 -5.186 1.00 0.29 H new ATOM 0 HA LYS A 801 -9.671 2.192 -7.501 1.00 0.36 H new ATOM 0 HB2 LYS A 801 -7.200 2.232 -7.042 1.00 0.43 H new ATOM 0 HB3 LYS A 801 -7.443 0.983 -5.836 1.00 0.43 H new ATOM 0 HG2 LYS A 801 -7.932 -0.655 -7.413 1.00 0.86 H new ATOM 0 HG3 LYS A 801 -8.546 0.495 -8.585 1.00 0.86 H new ATOM 0 HD2 LYS A 801 -5.612 0.317 -7.809 1.00 1.06 H new ATOM 0 HD3 LYS A 801 -6.305 -0.573 -9.150 1.00 1.06 H new ATOM 0 HE2 LYS A 801 -7.058 1.581 -10.172 1.00 1.13 H new ATOM 0 HE3 LYS A 801 -6.323 2.456 -8.844 1.00 1.13 H new ATOM 0 HZ1 LYS A 801 -4.875 2.398 -10.762 1.00 1.95 H new ATOM 0 HZ2 LYS A 801 -4.166 1.548 -9.474 1.00 1.95 H new ATOM 0 HZ3 LYS A 801 -4.879 0.700 -10.762 1.00 1.95 H new ATOM 402 N ILE A 802 -10.125 0.554 -4.675 1.00 0.39 N ATOM 403 CA ILE A 802 -10.902 -0.527 -4.061 1.00 0.52 C ATOM 404 C ILE A 802 -12.413 -0.303 -4.211 1.00 0.70 C ATOM 405 O ILE A 802 -13.149 -1.234 -4.548 1.00 1.56 O ATOM 406 CB ILE A 802 -10.556 -0.719 -2.559 1.00 0.54 C ATOM 407 CG1 ILE A 802 -9.092 -1.129 -2.384 1.00 0.64 C ATOM 408 CG2 ILE A 802 -11.450 -1.775 -1.929 1.00 0.71 C ATOM 409 CD1 ILE A 802 -8.672 -1.269 -0.936 1.00 0.71 C ATOM 0 H ILE A 802 -9.581 1.112 -4.017 1.00 0.39 H new ATOM 0 HA ILE A 802 -10.625 -1.434 -4.599 1.00 0.52 H new ATOM 0 HB ILE A 802 -10.722 0.236 -2.060 1.00 0.54 H new ATOM 0 HG12 ILE A 802 -8.925 -2.077 -2.896 1.00 0.64 H new ATOM 0 HG13 ILE A 802 -8.455 -0.389 -2.869 1.00 0.64 H new ATOM 0 HG21 ILE A 802 -11.189 -1.892 -0.877 1.00 0.71 H new ATOM 0 HG22 ILE A 802 -12.492 -1.466 -2.012 1.00 0.71 H new ATOM 0 HG23 ILE A 802 -11.311 -2.725 -2.445 1.00 0.71 H new ATOM 0 HD11 ILE A 802 -7.623 -1.562 -0.888 1.00 0.71 H new ATOM 0 HD12 ILE A 802 -8.807 -0.316 -0.424 1.00 0.71 H new ATOM 0 HD13 ILE A 802 -9.283 -2.030 -0.452 1.00 0.71 H new ATOM 550 N PRO A 812 -9.302 0.827 5.320 1.00 0.88 N ATOM 551 CA PRO A 812 -9.341 -0.592 4.958 1.00 0.80 C ATOM 552 C PRO A 812 -9.358 -1.486 6.192 1.00 0.77 C ATOM 553 O PRO A 812 -8.474 -2.322 6.382 1.00 0.82 O ATOM 554 CB PRO A 812 -8.054 -0.804 4.142 1.00 0.77 C ATOM 555 CG PRO A 812 -7.519 0.569 3.883 1.00 0.75 C ATOM 556 CD PRO A 812 -7.999 1.418 5.021 1.00 0.82 C ATOM 0 HA PRO A 812 -10.242 -0.850 4.401 1.00 0.80 H new ATOM 0 HB2 PRO A 812 -7.334 -1.409 4.693 1.00 0.77 H new ATOM 0 HB3 PRO A 812 -8.262 -1.327 3.209 1.00 0.77 H new ATOM 0 HG2 PRO A 812 -6.430 0.561 3.834 1.00 0.75 H new ATOM 0 HG3 PRO A 812 -7.878 0.955 2.929 1.00 0.75 H new ATOM 0 HD2 PRO A 812 -7.325 1.371 5.876 1.00 0.82 H new ATOM 0 HD3 PRO A 812 -8.083 2.467 4.739 1.00 0.82 H new ATOM 564 N ILE A 813 -10.317 -1.222 7.083 1.00 0.87 N ATOM 565 CA ILE A 813 -10.439 -1.940 8.349 1.00 0.96 C ATOM 566 C ILE A 813 -9.165 -1.733 9.185 1.00 0.96 C ATOM 567 O ILE A 813 -8.791 -2.563 10.013 1.00 1.64 O ATOM 568 CB ILE A 813 -10.696 -3.452 8.098 1.00 1.06 C ATOM 569 CG1 ILE A 813 -11.843 -3.641 7.097 1.00 1.46 C ATOM 570 CG2 ILE A 813 -11.019 -4.190 9.392 1.00 1.22 C ATOM 571 CD1 ILE A 813 -13.159 -3.044 7.552 1.00 1.67 C ATOM 0 H ILE A 813 -11.029 -0.505 6.945 1.00 0.87 H new ATOM 0 HA ILE A 813 -11.291 -1.544 8.902 1.00 0.96 H new ATOM 0 HB ILE A 813 -9.780 -3.874 7.685 1.00 1.06 H new ATOM 0 HG12 ILE A 813 -11.560 -3.190 6.146 1.00 1.46 H new ATOM 0 HG13 ILE A 813 -11.982 -4.707 6.916 1.00 1.46 H new ATOM 0 HG21 ILE A 813 -11.193 -5.244 9.176 1.00 1.22 H new ATOM 0 HG22 ILE A 813 -10.182 -4.094 10.084 1.00 1.22 H new ATOM 0 HG23 ILE A 813 -11.914 -3.760 9.843 1.00 1.22 H new ATOM 0 HD11 ILE A 813 -13.920 -3.218 6.791 1.00 1.67 H new ATOM 0 HD12 ILE A 813 -13.467 -3.512 8.487 1.00 1.67 H new ATOM 0 HD13 ILE A 813 -13.038 -1.972 7.705 1.00 1.67 H new ATOM 583 N THR A 814 -8.476 -0.623 8.899 1.00 0.83 N ATOM 584 CA THR A 814 -7.184 -0.285 9.512 1.00 0.84 C ATOM 585 C THR A 814 -6.200 -1.453 9.422 1.00 0.71 C ATOM 586 O THR A 814 -5.294 -1.589 10.245 1.00 1.08 O ATOM 587 CB THR A 814 -7.337 0.174 10.982 1.00 1.10 C ATOM 588 OG1 THR A 814 -8.041 -0.804 11.761 1.00 1.03 O ATOM 589 CG2 THR A 814 -8.075 1.502 11.051 1.00 1.90 C ATOM 0 H THR A 814 -8.802 0.074 8.229 1.00 0.83 H new ATOM 0 HA THR A 814 -6.781 0.553 8.942 1.00 0.84 H new ATOM 0 HB THR A 814 -6.335 0.294 11.395 1.00 1.10 H new ATOM 0 HG1 THR A 814 -8.032 -1.664 11.292 1.00 1.03 H new ATOM 0 HG21 THR A 814 -8.174 1.810 12.092 1.00 1.90 H new ATOM 0 HG22 THR A 814 -7.515 2.258 10.501 1.00 1.90 H new ATOM 0 HG23 THR A 814 -9.066 1.391 10.610 1.00 1.90 H new ATOM 597 N LYS A 815 -6.405 -2.302 8.422 1.00 0.61 N ATOM 598 CA LYS A 815 -5.609 -3.501 8.243 1.00 0.82 C ATOM 599 C LYS A 815 -5.085 -3.568 6.818 1.00 0.88 C ATOM 600 O LYS A 815 -5.865 -3.686 5.873 1.00 1.68 O ATOM 601 CB LYS A 815 -6.471 -4.739 8.522 1.00 1.16 C ATOM 602 CG LYS A 815 -5.959 -5.617 9.649 1.00 1.29 C ATOM 603 CD LYS A 815 -6.696 -5.364 10.955 1.00 1.45 C ATOM 604 CE LYS A 815 -6.182 -4.118 11.650 1.00 1.74 C ATOM 605 NZ LYS A 815 -4.762 -4.256 12.064 1.00 2.52 N ATOM 0 H LYS A 815 -7.129 -2.175 7.715 1.00 0.61 H new ATOM 0 HA LYS A 815 -4.769 -3.474 8.937 1.00 0.82 H new ATOM 0 HB2 LYS A 815 -7.484 -4.415 8.761 1.00 1.16 H new ATOM 0 HB3 LYS A 815 -6.534 -5.336 7.612 1.00 1.16 H new ATOM 0 HG2 LYS A 815 -6.068 -6.665 9.369 1.00 1.29 H new ATOM 0 HG3 LYS A 815 -4.894 -5.435 9.794 1.00 1.29 H new ATOM 0 HD2 LYS A 815 -7.763 -5.258 10.758 1.00 1.45 H new ATOM 0 HD3 LYS A 815 -6.578 -6.224 11.614 1.00 1.45 H new ATOM 0 HE2 LYS A 815 -6.283 -3.263 10.982 1.00 1.74 H new ATOM 0 HE3 LYS A 815 -6.797 -3.912 12.526 1.00 1.74 H new ATOM 0 HZ1 LYS A 815 -4.562 -3.596 12.843 1.00 2.52 H new ATOM 0 HZ2 LYS A 815 -4.586 -5.231 12.382 1.00 2.52 H new ATOM 0 HZ3 LYS A 815 -4.143 -4.038 11.258 1.00 2.52 H new ATOM 619 N ILE A 816 -3.772 -3.510 6.667 1.00 0.43 N ATOM 620 CA ILE A 816 -3.148 -3.562 5.351 1.00 0.34 C ATOM 621 C ILE A 816 -1.767 -4.209 5.422 1.00 0.30 C ATOM 622 O ILE A 816 -0.964 -3.930 6.326 1.00 0.33 O ATOM 623 CB ILE A 816 -2.993 -2.161 4.710 1.00 0.39 C ATOM 624 CG1 ILE A 816 -2.483 -1.147 5.742 1.00 0.63 C ATOM 625 CG2 ILE A 816 -4.300 -1.693 4.086 1.00 0.55 C ATOM 626 CD1 ILE A 816 -2.319 0.252 5.188 1.00 1.06 C ATOM 0 H ILE A 816 -3.114 -3.427 7.442 1.00 0.43 H new ATOM 0 HA ILE A 816 -3.816 -4.160 4.731 1.00 0.34 H new ATOM 0 HB ILE A 816 -2.254 -2.236 3.912 1.00 0.39 H new ATOM 0 HG12 ILE A 816 -3.176 -1.117 6.583 1.00 0.63 H new ATOM 0 HG13 ILE A 816 -1.524 -1.489 6.132 1.00 0.63 H new ATOM 0 HG21 ILE A 816 -4.160 -0.707 3.644 1.00 0.55 H new ATOM 0 HG22 ILE A 816 -4.606 -2.397 3.312 1.00 0.55 H new ATOM 0 HG23 ILE A 816 -5.071 -1.640 4.854 1.00 0.55 H new ATOM 0 HD11 ILE A 816 -1.955 0.914 5.974 1.00 1.06 H new ATOM 0 HD12 ILE A 816 -1.603 0.236 4.366 1.00 1.06 H new ATOM 0 HD13 ILE A 816 -3.281 0.614 4.824 1.00 1.06 H new ATOM 638 N LYS A 817 -1.455 -4.965 4.389 1.00 0.26 N ATOM 639 CA LYS A 817 -0.150 -5.581 4.239 1.00 0.24 C ATOM 640 C LYS A 817 0.399 -5.225 2.877 1.00 0.23 C ATOM 641 O LYS A 817 -0.369 -4.981 1.952 1.00 0.24 O ATOM 642 CB LYS A 817 -0.216 -7.101 4.394 1.00 0.33 C ATOM 643 CG LYS A 817 -0.567 -7.543 5.799 1.00 0.74 C ATOM 644 CD LYS A 817 -0.493 -9.045 5.966 1.00 0.68 C ATOM 645 CE LYS A 817 0.922 -9.545 5.789 1.00 1.18 C ATOM 646 NZ LYS A 817 1.016 -11.018 5.947 1.00 1.35 N ATOM 0 H LYS A 817 -2.101 -5.171 3.627 1.00 0.26 H new ATOM 0 HA LYS A 817 0.504 -5.204 5.025 1.00 0.24 H new ATOM 0 HB2 LYS A 817 -0.956 -7.499 3.700 1.00 0.33 H new ATOM 0 HB3 LYS A 817 0.746 -7.530 4.115 1.00 0.33 H new ATOM 0 HG2 LYS A 817 0.112 -7.067 6.507 1.00 0.74 H new ATOM 0 HG3 LYS A 817 -1.573 -7.202 6.044 1.00 0.74 H new ATOM 0 HD2 LYS A 817 -0.858 -9.322 6.955 1.00 0.68 H new ATOM 0 HD3 LYS A 817 -1.146 -9.527 5.238 1.00 0.68 H new ATOM 0 HE2 LYS A 817 1.285 -9.263 4.801 1.00 1.18 H new ATOM 0 HE3 LYS A 817 1.572 -9.060 6.518 1.00 1.18 H new ATOM 0 HZ1 LYS A 817 2.003 -11.319 5.818 1.00 1.35 H new ATOM 0 HZ2 LYS A 817 0.694 -11.286 6.899 1.00 1.35 H new ATOM 0 HZ3 LYS A 817 0.417 -11.482 5.235 1.00 1.35 H new ATOM 660 N TYR A 818 1.700 -5.073 2.781 1.00 0.20 N ATOM 661 CA TYR A 818 2.304 -4.599 1.562 1.00 0.19 C ATOM 662 C TYR A 818 3.392 -5.555 1.106 1.00 0.18 C ATOM 663 O TYR A 818 3.966 -6.297 1.901 1.00 0.19 O ATOM 664 CB TYR A 818 2.851 -3.173 1.747 1.00 0.20 C ATOM 665 CG TYR A 818 4.202 -3.083 2.429 1.00 0.20 C ATOM 666 CD1 TYR A 818 5.385 -3.189 1.706 1.00 0.23 C ATOM 667 CD2 TYR A 818 4.289 -2.927 3.806 1.00 0.25 C ATOM 668 CE1 TYR A 818 6.613 -3.140 2.335 1.00 0.25 C ATOM 669 CE2 TYR A 818 5.512 -2.868 4.442 1.00 0.27 C ATOM 670 CZ TYR A 818 6.687 -2.862 3.660 1.00 0.26 C ATOM 671 OH TYR A 818 7.894 -2.928 4.334 1.00 0.30 O ATOM 0 H TYR A 818 2.359 -5.271 3.534 1.00 0.20 H new ATOM 0 HA TYR A 818 1.541 -4.562 0.784 1.00 0.19 H new ATOM 0 HB2 TYR A 818 2.924 -2.699 0.768 1.00 0.20 H new ATOM 0 HB3 TYR A 818 2.130 -2.597 2.327 1.00 0.20 H new ATOM 0 HD1 TYR A 818 5.342 -3.312 0.634 1.00 0.23 H new ATOM 0 HD2 TYR A 818 3.383 -2.850 4.389 1.00 0.25 H new ATOM 0 HE1 TYR A 818 7.516 -3.323 1.771 1.00 0.25 H new ATOM 0 HE2 TYR A 818 5.569 -2.827 5.520 1.00 0.27 H new ATOM 0 HH TYR A 818 7.756 -2.696 5.276 1.00 0.30 H new ATOM 681 N GLN A 819 3.504 -5.674 -0.198 1.00 0.17 N ATOM 682 CA GLN A 819 4.378 -6.648 -0.817 1.00 0.19 C ATOM 683 C GLN A 819 5.269 -5.974 -1.838 1.00 0.19 C ATOM 684 O GLN A 819 4.855 -5.018 -2.487 1.00 0.18 O ATOM 685 CB GLN A 819 3.546 -7.764 -1.472 1.00 0.22 C ATOM 686 CG GLN A 819 4.291 -8.562 -2.537 1.00 0.35 C ATOM 687 CD GLN A 819 3.627 -9.884 -2.868 1.00 0.45 C ATOM 688 OE1 GLN A 819 3.728 -10.851 -2.120 1.00 1.08 O ATOM 689 NE2 GLN A 819 2.951 -9.937 -3.999 1.00 0.90 N ATOM 0 H GLN A 819 2.990 -5.096 -0.863 1.00 0.17 H new ATOM 0 HA GLN A 819 5.011 -7.095 -0.051 1.00 0.19 H new ATOM 0 HB2 GLN A 819 3.203 -8.448 -0.696 1.00 0.22 H new ATOM 0 HB3 GLN A 819 2.657 -7.322 -1.922 1.00 0.22 H new ATOM 0 HG2 GLN A 819 4.365 -7.963 -3.445 1.00 0.35 H new ATOM 0 HG3 GLN A 819 5.309 -8.750 -2.195 1.00 0.35 H new ATOM 0 HE21 GLN A 819 2.889 -9.112 -4.595 1.00 0.90 H new ATOM 0 HE22 GLN A 819 2.490 -10.803 -4.277 1.00 0.90 H new ATOM 698 N ASP A 820 6.489 -6.463 -1.973 1.00 0.22 N ATOM 699 CA ASP A 820 7.455 -5.837 -2.856 1.00 0.24 C ATOM 700 C ASP A 820 7.984 -6.857 -3.851 1.00 0.28 C ATOM 701 O ASP A 820 8.061 -8.059 -3.543 1.00 0.38 O ATOM 702 CB ASP A 820 8.625 -5.249 -2.060 1.00 0.31 C ATOM 703 CG ASP A 820 9.508 -6.312 -1.429 1.00 0.96 C ATOM 704 OD1 ASP A 820 9.013 -7.065 -0.561 1.00 1.73 O ATOM 705 OD2 ASP A 820 10.699 -6.395 -1.790 1.00 1.38 O ATOM 0 H ASP A 820 6.833 -7.289 -1.484 1.00 0.22 H new ATOM 0 HA ASP A 820 6.954 -5.029 -3.388 1.00 0.24 H new ATOM 0 HB2 ASP A 820 9.230 -4.627 -2.720 1.00 0.31 H new ATOM 0 HB3 ASP A 820 8.234 -4.598 -1.278 1.00 0.31 H new ATOM 710 N GLU A 821 8.120 -6.392 -5.100 1.00 0.28 N ATOM 711 CA GLU A 821 8.489 -7.228 -6.251 1.00 0.38 C ATOM 712 C GLU A 821 7.569 -8.435 -6.400 1.00 0.85 C ATOM 713 O GLU A 821 7.960 -9.451 -6.978 1.00 0.63 O ATOM 714 CB GLU A 821 9.937 -7.702 -6.154 1.00 1.20 C ATOM 715 CG GLU A 821 10.959 -6.587 -6.239 1.00 1.63 C ATOM 716 CD GLU A 821 12.347 -7.108 -6.534 1.00 2.62 C ATOM 717 OE1 GLU A 821 12.565 -7.627 -7.649 1.00 3.04 O ATOM 718 OE2 GLU A 821 13.222 -7.024 -5.650 1.00 3.38 O ATOM 0 H GLU A 821 7.975 -5.412 -5.343 1.00 0.28 H new ATOM 0 HA GLU A 821 8.378 -6.599 -7.134 1.00 0.38 H new ATOM 0 HB2 GLU A 821 10.072 -8.233 -5.212 1.00 1.20 H new ATOM 0 HB3 GLU A 821 10.128 -8.418 -6.954 1.00 1.20 H new ATOM 0 HG2 GLU A 821 10.663 -5.884 -7.018 1.00 1.63 H new ATOM 0 HG3 GLU A 821 10.972 -6.035 -5.299 1.00 1.63 H new ATOM 725 N ASP A 822 6.353 -8.306 -5.877 1.00 1.90 N ATOM 726 CA ASP A 822 5.355 -9.378 -5.922 1.00 2.86 C ATOM 727 C ASP A 822 5.949 -10.700 -5.427 1.00 2.24 C ATOM 728 O ASP A 822 5.886 -11.719 -6.114 1.00 2.49 O ATOM 729 CB ASP A 822 4.799 -9.544 -7.340 1.00 3.96 C ATOM 730 CG ASP A 822 3.516 -10.357 -7.369 1.00 5.04 C ATOM 731 OD1 ASP A 822 2.509 -9.920 -6.773 1.00 5.63 O ATOM 732 OD2 ASP A 822 3.514 -11.439 -7.988 1.00 5.45 O ATOM 0 H ASP A 822 6.029 -7.459 -5.410 1.00 1.90 H new ATOM 0 HA ASP A 822 4.536 -9.100 -5.259 1.00 2.86 H new ATOM 0 HB2 ASP A 822 4.612 -8.561 -7.771 1.00 3.96 H new ATOM 0 HB3 ASP A 822 5.548 -10.030 -7.966 1.00 3.96 H new ATOM 737 N GLY A 823 6.644 -10.648 -4.298 1.00 1.39 N ATOM 738 CA GLY A 823 7.351 -11.823 -3.831 1.00 0.79 C ATOM 739 C GLY A 823 7.383 -11.955 -2.321 1.00 0.74 C ATOM 740 O GLY A 823 7.484 -13.065 -1.798 1.00 0.91 O ATOM 0 H GLY A 823 6.730 -9.823 -3.704 1.00 1.39 H new ATOM 0 HA2 GLY A 823 6.882 -12.711 -4.255 1.00 0.79 H new ATOM 0 HA3 GLY A 823 8.374 -11.794 -4.206 1.00 0.79 H new ATOM 744 N ASP A 824 7.350 -10.833 -1.617 1.00 0.55 N ATOM 745 CA ASP A 824 7.442 -10.852 -0.155 1.00 0.53 C ATOM 746 C ASP A 824 6.298 -10.060 0.453 1.00 0.40 C ATOM 747 O ASP A 824 5.866 -9.069 -0.118 1.00 0.32 O ATOM 748 CB ASP A 824 8.777 -10.263 0.305 1.00 0.61 C ATOM 749 CG ASP A 824 9.045 -10.487 1.780 1.00 0.97 C ATOM 750 OD1 ASP A 824 8.467 -11.428 2.367 1.00 1.42 O ATOM 751 OD2 ASP A 824 9.872 -9.750 2.352 1.00 1.47 O ATOM 0 H ASP A 824 7.261 -9.903 -2.025 1.00 0.55 H new ATOM 0 HA ASP A 824 7.379 -11.888 0.179 1.00 0.53 H new ATOM 0 HB2 ASP A 824 9.584 -10.708 -0.277 1.00 0.61 H new ATOM 0 HB3 ASP A 824 8.787 -9.193 0.098 1.00 0.61 H new ATOM 756 N PHE A 825 5.815 -10.494 1.609 1.00 0.43 N ATOM 757 CA PHE A 825 4.671 -9.848 2.245 1.00 0.38 C ATOM 758 C PHE A 825 5.014 -9.434 3.667 1.00 0.40 C ATOM 759 O PHE A 825 5.703 -10.147 4.397 1.00 0.47 O ATOM 760 CB PHE A 825 3.456 -10.783 2.280 1.00 0.47 C ATOM 761 CG PHE A 825 2.241 -10.238 1.575 1.00 0.49 C ATOM 762 CD1 PHE A 825 2.100 -10.346 0.198 1.00 0.91 C ATOM 763 CD2 PHE A 825 1.251 -9.594 2.287 1.00 0.55 C ATOM 764 CE1 PHE A 825 0.992 -9.830 -0.440 1.00 1.16 C ATOM 765 CE2 PHE A 825 0.138 -9.079 1.653 1.00 0.80 C ATOM 766 CZ PHE A 825 -0.010 -9.274 0.259 1.00 1.04 C ATOM 0 H PHE A 825 6.195 -11.288 2.125 1.00 0.43 H new ATOM 0 HA PHE A 825 4.425 -8.966 1.654 1.00 0.38 H new ATOM 0 HB2 PHE A 825 3.730 -11.735 1.825 1.00 0.47 H new ATOM 0 HB3 PHE A 825 3.199 -10.988 3.319 1.00 0.47 H new ATOM 0 HD1 PHE A 825 2.867 -10.840 -0.380 1.00 0.91 H new ATOM 0 HD2 PHE A 825 1.348 -9.491 3.358 1.00 0.55 H new ATOM 0 HE1 PHE A 825 0.929 -9.874 -1.517 1.00 1.16 H new ATOM 0 HE2 PHE A 825 -0.609 -8.535 2.213 1.00 0.80 H new ATOM 0 HZ PHE A 825 -0.922 -8.978 -0.238 1.00 1.04 H new ATOM 776 N VAL A 826 4.654 -8.201 3.961 1.00 0.35 N ATOM 777 CA VAL A 826 5.013 -7.520 5.193 1.00 0.39 C ATOM 778 C VAL A 826 3.906 -6.522 5.535 1.00 0.31 C ATOM 779 O VAL A 826 3.122 -6.171 4.661 1.00 0.29 O ATOM 780 CB VAL A 826 6.401 -6.829 5.076 1.00 0.52 C ATOM 781 CG1 VAL A 826 6.561 -6.150 3.730 1.00 1.35 C ATOM 782 CG2 VAL A 826 6.627 -5.832 6.202 1.00 0.95 C ATOM 0 H VAL A 826 4.089 -7.628 3.334 1.00 0.35 H new ATOM 0 HA VAL A 826 5.104 -8.246 6.001 1.00 0.39 H new ATOM 0 HB VAL A 826 7.157 -7.609 5.162 1.00 0.52 H new ATOM 0 HG11 VAL A 826 7.541 -5.675 3.676 1.00 1.35 H new ATOM 0 HG12 VAL A 826 6.473 -6.891 2.936 1.00 1.35 H new ATOM 0 HG13 VAL A 826 5.785 -5.395 3.609 1.00 1.35 H new ATOM 0 HG21 VAL A 826 7.607 -5.369 6.087 1.00 0.95 H new ATOM 0 HG22 VAL A 826 5.856 -5.062 6.167 1.00 0.95 H new ATOM 0 HG23 VAL A 826 6.580 -6.349 7.161 1.00 0.95 H new ATOM 792 N VAL A 827 3.676 -6.261 6.810 1.00 0.33 N ATOM 793 CA VAL A 827 2.486 -5.526 7.216 1.00 0.32 C ATOM 794 C VAL A 827 2.869 -4.284 8.005 1.00 0.35 C ATOM 795 O VAL A 827 3.921 -4.242 8.647 1.00 0.40 O ATOM 796 CB VAL A 827 1.562 -6.422 8.082 1.00 0.37 C ATOM 797 CG1 VAL A 827 2.317 -7.001 9.269 1.00 0.98 C ATOM 798 CG2 VAL A 827 0.334 -5.659 8.562 1.00 1.22 C ATOM 0 H VAL A 827 4.288 -6.542 7.576 1.00 0.33 H new ATOM 0 HA VAL A 827 1.952 -5.226 6.315 1.00 0.32 H new ATOM 0 HB VAL A 827 1.226 -7.244 7.450 1.00 0.37 H new ATOM 0 HG11 VAL A 827 1.645 -7.625 9.859 1.00 0.98 H new ATOM 0 HG12 VAL A 827 3.151 -7.604 8.911 1.00 0.98 H new ATOM 0 HG13 VAL A 827 2.697 -6.189 9.890 1.00 0.98 H new ATOM 0 HG21 VAL A 827 -0.291 -6.318 9.166 1.00 1.22 H new ATOM 0 HG22 VAL A 827 0.648 -4.805 9.163 1.00 1.22 H new ATOM 0 HG23 VAL A 827 -0.235 -5.307 7.702 1.00 1.22 H new ATOM 808 N LEU A 828 2.113 -3.212 7.777 1.00 0.34 N ATOM 809 CA LEU A 828 2.462 -1.911 8.324 1.00 0.38 C ATOM 810 C LEU A 828 1.275 -1.304 9.056 1.00 0.44 C ATOM 811 O LEU A 828 0.129 -1.700 8.838 1.00 0.48 O ATOM 812 CB LEU A 828 2.972 -0.970 7.210 1.00 0.38 C ATOM 813 CG LEU A 828 1.985 -0.625 6.080 1.00 0.39 C ATOM 814 CD1 LEU A 828 0.996 0.447 6.511 1.00 1.03 C ATOM 815 CD2 LEU A 828 2.740 -0.166 4.843 1.00 0.96 C ATOM 0 H LEU A 828 1.259 -3.222 7.219 1.00 0.34 H new ATOM 0 HA LEU A 828 3.269 -2.044 9.044 1.00 0.38 H new ATOM 0 HB2 LEU A 828 3.294 -0.038 7.675 1.00 0.38 H new ATOM 0 HB3 LEU A 828 3.855 -1.424 6.761 1.00 0.38 H new ATOM 0 HG LEU A 828 1.422 -1.528 5.845 1.00 0.39 H new ATOM 0 HD11 LEU A 828 0.315 0.665 5.689 1.00 1.03 H new ATOM 0 HD12 LEU A 828 0.426 0.092 7.370 1.00 1.03 H new ATOM 0 HD13 LEU A 828 1.537 1.353 6.784 1.00 1.03 H new ATOM 0 HD21 LEU A 828 2.030 0.075 4.052 1.00 0.96 H new ATOM 0 HD22 LEU A 828 3.329 0.719 5.084 1.00 0.96 H new ATOM 0 HD23 LEU A 828 3.403 -0.962 4.505 1.00 0.96 H new ATOM 827 N GLY A 829 1.562 -0.382 9.956 1.00 0.53 N ATOM 828 CA GLY A 829 0.514 0.235 10.738 1.00 0.63 C ATOM 829 C GLY A 829 1.028 1.344 11.632 1.00 0.73 C ATOM 830 O GLY A 829 0.294 2.279 11.955 1.00 1.20 O ATOM 0 H GLY A 829 2.504 -0.048 10.161 1.00 0.53 H new ATOM 0 HA2 GLY A 829 -0.245 0.637 10.067 1.00 0.63 H new ATOM 0 HA3 GLY A 829 0.028 -0.524 11.351 1.00 0.63 H new ATOM 834 N SER A 830 2.292 1.260 12.025 1.00 0.74 N ATOM 835 CA SER A 830 2.890 2.273 12.878 1.00 0.85 C ATOM 836 C SER A 830 3.479 3.420 12.052 1.00 0.98 C ATOM 837 O SER A 830 4.272 4.214 12.563 1.00 1.93 O ATOM 838 CB SER A 830 3.964 1.638 13.760 1.00 0.89 C ATOM 839 OG SER A 830 3.398 0.642 14.598 1.00 1.58 O ATOM 0 H SER A 830 2.921 0.500 11.766 1.00 0.74 H new ATOM 0 HA SER A 830 2.109 2.693 13.512 1.00 0.85 H new ATOM 0 HB2 SER A 830 4.741 1.197 13.136 1.00 0.89 H new ATOM 0 HB3 SER A 830 4.442 2.405 14.369 1.00 0.89 H new ATOM 0 HG SER A 830 4.100 0.245 15.154 1.00 1.58 H new ATOM 845 N ASP A 831 3.006 3.544 10.805 1.00 0.62 N ATOM 846 CA ASP A 831 3.393 4.631 9.889 1.00 0.62 C ATOM 847 C ASP A 831 4.845 4.513 9.412 1.00 0.58 C ATOM 848 O ASP A 831 5.108 4.545 8.207 1.00 0.97 O ATOM 849 CB ASP A 831 3.175 6.000 10.542 1.00 0.86 C ATOM 850 CG ASP A 831 3.726 7.135 9.704 1.00 1.20 C ATOM 851 OD1 ASP A 831 3.173 7.393 8.615 1.00 1.79 O ATOM 852 OD2 ASP A 831 4.696 7.786 10.139 1.00 1.74 O ATOM 0 H ASP A 831 2.339 2.889 10.398 1.00 0.62 H new ATOM 0 HA ASP A 831 2.749 4.538 9.014 1.00 0.62 H new ATOM 0 HB2 ASP A 831 2.108 6.156 10.704 1.00 0.86 H new ATOM 0 HB3 ASP A 831 3.651 6.012 11.522 1.00 0.86 H new ATOM 857 N GLU A 832 5.776 4.398 10.356 1.00 0.50 N ATOM 858 CA GLU A 832 7.205 4.324 10.050 1.00 0.44 C ATOM 859 C GLU A 832 7.498 3.215 9.044 1.00 0.34 C ATOM 860 O GLU A 832 8.348 3.367 8.162 1.00 0.34 O ATOM 861 CB GLU A 832 7.998 4.078 11.336 1.00 0.56 C ATOM 862 CG GLU A 832 9.507 4.132 11.147 1.00 1.41 C ATOM 863 CD GLU A 832 10.014 5.530 10.849 1.00 2.19 C ATOM 864 OE1 GLU A 832 9.223 6.489 10.942 1.00 2.93 O ATOM 865 OE2 GLU A 832 11.215 5.678 10.536 1.00 2.62 O ATOM 0 H GLU A 832 5.563 4.353 11.353 1.00 0.50 H new ATOM 0 HA GLU A 832 7.507 5.273 9.608 1.00 0.44 H new ATOM 0 HB2 GLU A 832 7.707 4.821 12.079 1.00 0.56 H new ATOM 0 HB3 GLU A 832 7.726 3.102 11.738 1.00 0.56 H new ATOM 0 HG2 GLU A 832 9.995 3.758 12.047 1.00 1.41 H new ATOM 0 HG3 GLU A 832 9.790 3.467 10.331 1.00 1.41 H new ATOM 872 N ASP A 833 6.781 2.105 9.191 1.00 0.32 N ATOM 873 CA ASP A 833 6.943 0.934 8.329 1.00 0.29 C ATOM 874 C ASP A 833 6.829 1.324 6.860 1.00 0.24 C ATOM 875 O ASP A 833 7.597 0.860 6.017 1.00 0.23 O ATOM 876 CB ASP A 833 5.876 -0.122 8.648 1.00 0.38 C ATOM 877 CG ASP A 833 5.347 -0.026 10.068 1.00 1.21 C ATOM 878 OD1 ASP A 833 6.136 -0.193 11.019 1.00 2.14 O ATOM 879 OD2 ASP A 833 4.138 0.241 10.237 1.00 1.50 O ATOM 0 H ASP A 833 6.069 1.990 9.912 1.00 0.32 H new ATOM 0 HA ASP A 833 7.934 0.520 8.517 1.00 0.29 H new ATOM 0 HB2 ASP A 833 5.046 -0.013 7.950 1.00 0.38 H new ATOM 0 HB3 ASP A 833 6.298 -1.115 8.490 1.00 0.38 H new ATOM 884 N TRP A 834 5.881 2.207 6.568 1.00 0.22 N ATOM 885 CA TRP A 834 5.669 2.675 5.210 1.00 0.20 C ATOM 886 C TRP A 834 6.877 3.455 4.700 1.00 0.19 C ATOM 887 O TRP A 834 7.320 3.243 3.574 1.00 0.18 O ATOM 888 CB TRP A 834 4.410 3.541 5.116 1.00 0.23 C ATOM 889 CG TRP A 834 4.239 4.183 3.777 1.00 0.22 C ATOM 890 CD1 TRP A 834 4.028 5.504 3.526 1.00 0.26 C ATOM 891 CD2 TRP A 834 4.274 3.529 2.504 1.00 0.19 C ATOM 892 NE1 TRP A 834 3.929 5.716 2.174 1.00 0.26 N ATOM 893 CE2 TRP A 834 4.077 4.519 1.525 1.00 0.22 C ATOM 894 CE3 TRP A 834 4.455 2.207 2.096 1.00 0.18 C ATOM 895 CZ2 TRP A 834 4.055 4.227 0.166 1.00 0.22 C ATOM 896 CZ3 TRP A 834 4.434 1.919 0.748 1.00 0.18 C ATOM 897 CH2 TRP A 834 4.236 2.924 -0.201 1.00 0.19 C ATOM 0 H TRP A 834 5.248 2.612 7.257 1.00 0.22 H new ATOM 0 HA TRP A 834 5.534 1.795 4.581 1.00 0.20 H new ATOM 0 HB2 TRP A 834 3.536 2.926 5.332 1.00 0.23 H new ATOM 0 HB3 TRP A 834 4.451 4.316 5.881 1.00 0.23 H new ATOM 0 HD1 TRP A 834 3.950 6.273 4.281 1.00 0.26 H new ATOM 0 HE1 TRP A 834 3.771 6.618 1.725 1.00 0.26 H new ATOM 0 HE3 TRP A 834 4.609 1.423 2.823 1.00 0.18 H new ATOM 0 HZ2 TRP A 834 3.901 5.001 -0.571 1.00 0.22 H new ATOM 0 HZ3 TRP A 834 4.573 0.899 0.421 1.00 0.18 H new ATOM 0 HH2 TRP A 834 4.226 2.665 -1.249 1.00 0.19 H new ATOM 908 N ASN A 835 7.420 4.341 5.529 1.00 0.22 N ATOM 909 CA ASN A 835 8.585 5.121 5.123 1.00 0.25 C ATOM 910 C ASN A 835 9.750 4.189 4.834 1.00 0.21 C ATOM 911 O ASN A 835 10.460 4.364 3.844 1.00 0.21 O ATOM 912 CB ASN A 835 8.978 6.153 6.186 1.00 0.34 C ATOM 913 CG ASN A 835 9.879 7.236 5.613 1.00 1.15 C ATOM 914 OD1 ASN A 835 9.523 7.906 4.645 1.00 1.66 O ATOM 915 ND2 ASN A 835 11.047 7.423 6.201 1.00 2.00 N ATOM 0 H ASN A 835 7.080 4.535 6.471 1.00 0.22 H new ATOM 0 HA ASN A 835 8.325 5.670 4.218 1.00 0.25 H new ATOM 0 HB2 ASN A 835 8.079 6.609 6.600 1.00 0.34 H new ATOM 0 HB3 ASN A 835 9.489 5.652 7.008 1.00 0.34 H new ATOM 0 HD21 ASN A 835 11.684 8.140 5.854 1.00 2.00 H new ATOM 0 HD22 ASN A 835 11.312 6.850 7.002 1.00 2.00 H new ATOM 922 N VAL A 836 9.850 3.124 5.625 1.00 0.22 N ATOM 923 CA VAL A 836 10.842 2.084 5.386 1.00 0.25 C ATOM 924 C VAL A 836 10.635 1.450 4.009 1.00 0.19 C ATOM 925 O VAL A 836 11.580 1.330 3.231 1.00 0.19 O ATOM 926 CB VAL A 836 10.788 0.980 6.466 1.00 0.39 C ATOM 927 CG1 VAL A 836 11.840 -0.087 6.203 1.00 1.36 C ATOM 928 CG2 VAL A 836 10.967 1.574 7.855 1.00 1.22 C ATOM 0 H VAL A 836 9.255 2.960 6.437 1.00 0.22 H new ATOM 0 HA VAL A 836 11.821 2.561 5.429 1.00 0.25 H new ATOM 0 HB VAL A 836 9.806 0.510 6.418 1.00 0.39 H new ATOM 0 HG11 VAL A 836 11.782 -0.853 6.976 1.00 1.36 H new ATOM 0 HG12 VAL A 836 11.662 -0.541 5.228 1.00 1.36 H new ATOM 0 HG13 VAL A 836 12.831 0.368 6.216 1.00 1.36 H new ATOM 0 HG21 VAL A 836 10.925 0.779 8.599 1.00 1.22 H new ATOM 0 HG22 VAL A 836 11.933 2.076 7.914 1.00 1.22 H new ATOM 0 HG23 VAL A 836 10.171 2.293 8.048 1.00 1.22 H new ATOM 938 N ALA A 837 9.384 1.106 3.689 1.00 0.16 N ATOM 939 CA ALA A 837 9.062 0.528 2.386 1.00 0.15 C ATOM 940 C ALA A 837 9.413 1.492 1.260 1.00 0.15 C ATOM 941 O ALA A 837 10.037 1.097 0.279 1.00 0.19 O ATOM 942 CB ALA A 837 7.593 0.134 2.296 1.00 0.17 C ATOM 0 H ALA A 837 8.584 1.218 4.312 1.00 0.16 H new ATOM 0 HA ALA A 837 9.664 -0.374 2.277 1.00 0.15 H new ATOM 0 HB1 ALA A 837 7.390 -0.292 1.313 1.00 0.17 H new ATOM 0 HB2 ALA A 837 7.366 -0.604 3.065 1.00 0.17 H new ATOM 0 HB3 ALA A 837 6.970 1.016 2.445 1.00 0.17 H new ATOM 948 N LYS A 838 9.019 2.754 1.409 1.00 0.14 N ATOM 949 CA LYS A 838 9.316 3.768 0.397 1.00 0.19 C ATOM 950 C LYS A 838 10.812 3.863 0.140 1.00 0.20 C ATOM 951 O LYS A 838 11.255 3.812 -1.008 1.00 0.24 O ATOM 952 CB LYS A 838 8.813 5.142 0.823 1.00 0.23 C ATOM 953 CG LYS A 838 7.338 5.192 1.151 1.00 0.23 C ATOM 954 CD LYS A 838 6.850 6.631 1.207 1.00 0.40 C ATOM 955 CE LYS A 838 7.535 7.411 2.320 1.00 0.49 C ATOM 956 NZ LYS A 838 7.072 8.821 2.389 1.00 1.22 N ATOM 0 H LYS A 838 8.497 3.099 2.214 1.00 0.14 H new ATOM 0 HA LYS A 838 8.804 3.460 -0.515 1.00 0.19 H new ATOM 0 HB2 LYS A 838 9.378 5.468 1.696 1.00 0.23 H new ATOM 0 HB3 LYS A 838 9.020 5.855 0.025 1.00 0.23 H new ATOM 0 HG2 LYS A 838 6.774 4.640 0.399 1.00 0.23 H new ATOM 0 HG3 LYS A 838 7.156 4.703 2.108 1.00 0.23 H new ATOM 0 HD2 LYS A 838 7.040 7.118 0.250 1.00 0.40 H new ATOM 0 HD3 LYS A 838 5.771 6.644 1.363 1.00 0.40 H new ATOM 0 HE2 LYS A 838 7.344 6.921 3.275 1.00 0.49 H new ATOM 0 HE3 LYS A 838 8.613 7.392 2.163 1.00 0.49 H new ATOM 0 HZ1 LYS A 838 7.001 9.115 3.384 1.00 1.22 H new ATOM 0 HZ2 LYS A 838 7.751 9.434 1.894 1.00 1.22 H new ATOM 0 HZ3 LYS A 838 6.139 8.903 1.937 1.00 1.22 H new ATOM 970 N GLU A 839 11.583 3.995 1.217 1.00 0.21 N ATOM 971 CA GLU A 839 13.031 4.081 1.112 1.00 0.26 C ATOM 972 C GLU A 839 13.587 2.813 0.489 1.00 0.27 C ATOM 973 O GLU A 839 14.453 2.868 -0.378 1.00 0.31 O ATOM 974 CB GLU A 839 13.666 4.318 2.481 1.00 0.32 C ATOM 975 CG GLU A 839 13.277 5.640 3.120 1.00 0.47 C ATOM 976 CD GLU A 839 14.176 6.008 4.278 1.00 1.34 C ATOM 977 OE1 GLU A 839 14.227 5.233 5.261 1.00 2.22 O ATOM 978 OE2 GLU A 839 14.820 7.078 4.226 1.00 1.85 O ATOM 0 H GLU A 839 11.226 4.044 2.171 1.00 0.21 H new ATOM 0 HA GLU A 839 13.276 4.929 0.472 1.00 0.26 H new ATOM 0 HB2 GLU A 839 13.380 3.505 3.149 1.00 0.32 H new ATOM 0 HB3 GLU A 839 14.751 4.280 2.379 1.00 0.32 H new ATOM 0 HG2 GLU A 839 13.316 6.429 2.369 1.00 0.47 H new ATOM 0 HG3 GLU A 839 12.246 5.582 3.468 1.00 0.47 H new ATOM 985 N MET A 840 13.021 1.682 0.885 1.00 0.27 N ATOM 986 CA MET A 840 13.390 0.392 0.324 1.00 0.31 C ATOM 987 C MET A 840 13.263 0.413 -1.196 1.00 0.34 C ATOM 988 O MET A 840 14.237 0.174 -1.911 1.00 0.40 O ATOM 989 CB MET A 840 12.489 -0.697 0.916 1.00 0.32 C ATOM 990 CG MET A 840 12.564 -2.038 0.204 1.00 0.36 C ATOM 991 SD MET A 840 11.320 -3.205 0.797 1.00 0.76 S ATOM 992 CE MET A 840 9.802 -2.352 0.361 1.00 0.35 C ATOM 0 H MET A 840 12.296 1.633 1.601 1.00 0.27 H new ATOM 0 HA MET A 840 14.429 0.178 0.576 1.00 0.31 H new ATOM 0 HB2 MET A 840 12.756 -0.841 1.963 1.00 0.32 H new ATOM 0 HB3 MET A 840 11.457 -0.347 0.895 1.00 0.32 H new ATOM 0 HG2 MET A 840 12.433 -1.885 -0.867 1.00 0.36 H new ATOM 0 HG3 MET A 840 13.556 -2.466 0.346 1.00 0.36 H new ATOM 0 HE1 MET A 840 9.211 -2.178 1.260 1.00 0.35 H new ATOM 0 HE2 MET A 840 10.043 -1.397 -0.105 1.00 0.35 H new ATOM 0 HE3 MET A 840 9.229 -2.962 -0.337 1.00 0.35 H new ATOM 1002 N LEU A 841 12.068 0.740 -1.672 1.00 0.30 N ATOM 1003 CA LEU A 841 11.787 0.771 -3.101 1.00 0.35 C ATOM 1004 C LEU A 841 12.664 1.790 -3.824 1.00 0.39 C ATOM 1005 O LEU A 841 13.390 1.456 -4.766 1.00 0.50 O ATOM 1006 CB LEU A 841 10.314 1.149 -3.324 1.00 0.33 C ATOM 1007 CG LEU A 841 9.288 0.360 -2.507 1.00 0.35 C ATOM 1008 CD1 LEU A 841 7.963 1.102 -2.458 1.00 0.62 C ATOM 1009 CD2 LEU A 841 9.081 -1.024 -3.090 1.00 0.62 C ATOM 0 H LEU A 841 11.273 0.989 -1.084 1.00 0.30 H new ATOM 0 HA LEU A 841 11.999 -0.220 -3.503 1.00 0.35 H new ATOM 0 HB2 LEU A 841 10.193 2.208 -3.097 1.00 0.33 H new ATOM 0 HB3 LEU A 841 10.083 1.021 -4.382 1.00 0.33 H new ATOM 0 HG LEU A 841 9.675 0.256 -1.493 1.00 0.35 H new ATOM 0 HD11 LEU A 841 7.245 0.527 -1.873 1.00 0.62 H new ATOM 0 HD12 LEU A 841 8.109 2.078 -1.995 1.00 0.62 H new ATOM 0 HD13 LEU A 841 7.583 1.234 -3.471 1.00 0.62 H new ATOM 0 HD21 LEU A 841 8.348 -1.565 -2.492 1.00 0.62 H new ATOM 0 HD22 LEU A 841 8.720 -0.937 -4.115 1.00 0.62 H new ATOM 0 HD23 LEU A 841 10.026 -1.567 -3.083 1.00 0.62 H new ATOM 1021 N ALA A 842 12.561 3.041 -3.392 1.00 0.36 N ATOM 1022 CA ALA A 842 13.222 4.151 -4.064 1.00 0.44 C ATOM 1023 C ALA A 842 14.739 4.023 -4.046 1.00 0.52 C ATOM 1024 O ALA A 842 15.398 4.239 -5.065 1.00 0.61 O ATOM 1025 CB ALA A 842 12.791 5.465 -3.437 1.00 0.47 C ATOM 0 H ALA A 842 12.020 3.313 -2.571 1.00 0.36 H new ATOM 0 HA ALA A 842 12.917 4.128 -5.110 1.00 0.44 H new ATOM 0 HB1 ALA A 842 13.289 6.291 -3.944 1.00 0.47 H new ATOM 0 HB2 ALA A 842 11.711 5.578 -3.534 1.00 0.47 H new ATOM 0 HB3 ALA A 842 13.063 5.471 -2.381 1.00 0.47 H new ATOM 1031 N GLU A 843 15.300 3.727 -2.885 1.00 0.53 N ATOM 1032 CA GLU A 843 16.744 3.617 -2.760 1.00 0.66 C ATOM 1033 C GLU A 843 17.279 2.398 -3.505 1.00 0.71 C ATOM 1034 O GLU A 843 18.251 2.503 -4.257 1.00 0.81 O ATOM 1035 CB GLU A 843 17.162 3.563 -1.290 1.00 0.71 C ATOM 1036 CG GLU A 843 18.658 3.400 -1.086 1.00 1.45 C ATOM 1037 CD GLU A 843 19.057 3.500 0.366 1.00 2.11 C ATOM 1038 OE1 GLU A 843 18.830 4.561 0.979 1.00 2.92 O ATOM 1039 OE2 GLU A 843 19.600 2.514 0.905 1.00 2.43 O ATOM 0 H GLU A 843 14.782 3.560 -2.022 1.00 0.53 H new ATOM 0 HA GLU A 843 17.178 4.508 -3.214 1.00 0.66 H new ATOM 0 HB2 GLU A 843 16.834 4.477 -0.794 1.00 0.71 H new ATOM 0 HB3 GLU A 843 16.646 2.735 -0.805 1.00 0.71 H new ATOM 0 HG2 GLU A 843 18.972 2.434 -1.480 1.00 1.45 H new ATOM 0 HG3 GLU A 843 19.185 4.164 -1.658 1.00 1.45 H new ATOM 1046 N ASN A 844 16.722 1.226 -3.217 1.00 0.67 N ATOM 1047 CA ASN A 844 17.249 -0.002 -3.797 1.00 0.80 C ATOM 1048 C ASN A 844 16.987 -0.094 -5.295 1.00 0.79 C ATOM 1049 O ASN A 844 17.944 -0.128 -6.074 1.00 1.11 O ATOM 1050 CB ASN A 844 16.694 -1.231 -3.080 1.00 0.85 C ATOM 1051 CG ASN A 844 17.230 -1.365 -1.671 1.00 0.97 C ATOM 1052 OD1 ASN A 844 18.440 -1.460 -1.462 1.00 1.53 O ATOM 1053 ND2 ASN A 844 16.336 -1.370 -0.697 1.00 1.15 N ATOM 0 H ASN A 844 15.921 1.102 -2.598 1.00 0.67 H new ATOM 0 HA ASN A 844 18.330 0.025 -3.658 1.00 0.80 H new ATOM 0 HB2 ASN A 844 15.606 -1.170 -3.048 1.00 0.85 H new ATOM 0 HB3 ASN A 844 16.947 -2.126 -3.649 1.00 0.85 H new ATOM 0 HD21 ASN A 844 16.639 -1.455 0.273 1.00 1.15 H new ATOM 0 HD22 ASN A 844 15.343 -1.289 -0.916 1.00 1.15 H new ATOM 1060 N ASN A 845 15.707 -0.041 -5.701 1.00 0.62 N ATOM 1061 CA ASN A 845 15.334 -0.100 -7.126 1.00 0.71 C ATOM 1062 C ASN A 845 13.845 -0.391 -7.288 1.00 0.61 C ATOM 1063 O ASN A 845 13.265 -0.105 -8.340 1.00 0.71 O ATOM 1064 CB ASN A 845 16.132 -1.184 -7.883 1.00 0.92 C ATOM 1065 CG ASN A 845 15.507 -2.566 -7.795 1.00 1.38 C ATOM 1066 OD1 ASN A 845 14.652 -2.928 -8.606 1.00 1.90 O ATOM 1067 ND2 ASN A 845 15.904 -3.336 -6.800 1.00 1.48 N ATOM 0 H ASN A 845 14.914 0.042 -5.065 1.00 0.62 H new ATOM 0 HA ASN A 845 15.570 0.876 -7.550 1.00 0.71 H new ATOM 0 HB2 ASN A 845 16.216 -0.897 -8.931 1.00 0.92 H new ATOM 0 HB3 ASN A 845 17.145 -1.225 -7.482 1.00 0.92 H new ATOM 0 HD21 ASN A 845 15.501 -4.266 -6.682 1.00 1.48 H new ATOM 0 HD22 ASN A 845 16.614 -3.002 -6.149 1.00 1.48 H new ATOM 1074 N GLU A 846 13.289 -1.118 -6.320 1.00 0.55 N ATOM 1075 CA GLU A 846 11.930 -1.640 -6.415 1.00 0.63 C ATOM 1076 C GLU A 846 10.892 -0.530 -6.564 1.00 0.73 C ATOM 1077 O GLU A 846 11.187 0.652 -6.389 1.00 1.49 O ATOM 1078 CB GLU A 846 11.583 -2.499 -5.192 1.00 0.77 C ATOM 1079 CG GLU A 846 12.509 -3.686 -4.959 1.00 1.40 C ATOM 1080 CD GLU A 846 13.759 -3.326 -4.183 1.00 2.19 C ATOM 1081 OE1 GLU A 846 14.015 -2.126 -3.991 1.00 2.97 O ATOM 1082 OE2 GLU A 846 14.490 -4.250 -3.763 1.00 2.54 O ATOM 0 H GLU A 846 13.767 -1.360 -5.452 1.00 0.55 H new ATOM 0 HA GLU A 846 11.900 -2.257 -7.313 1.00 0.63 H new ATOM 0 HB2 GLU A 846 11.598 -1.866 -4.305 1.00 0.77 H new ATOM 0 HB3 GLU A 846 10.563 -2.868 -5.303 1.00 0.77 H new ATOM 0 HG2 GLU A 846 11.966 -4.462 -4.420 1.00 1.40 H new ATOM 0 HG3 GLU A 846 12.796 -4.109 -5.922 1.00 1.40 H new ATOM 1089 N LYS A 847 9.670 -0.928 -6.886 1.00 0.42 N ATOM 1090 CA LYS A 847 8.575 0.016 -7.061 1.00 0.37 C ATOM 1091 C LYS A 847 7.233 -0.710 -7.003 1.00 0.35 C ATOM 1092 O LYS A 847 6.228 -0.141 -6.574 1.00 0.44 O ATOM 1093 CB LYS A 847 8.708 0.754 -8.396 1.00 0.44 C ATOM 1094 CG LYS A 847 8.222 2.195 -8.346 1.00 0.63 C ATOM 1095 CD LYS A 847 9.234 3.111 -7.675 1.00 1.29 C ATOM 1096 CE LYS A 847 10.528 3.183 -8.468 1.00 1.80 C ATOM 1097 NZ LYS A 847 11.486 4.150 -7.879 1.00 2.40 N ATOM 0 H LYS A 847 9.411 -1.904 -7.032 1.00 0.42 H new ATOM 0 HA LYS A 847 8.621 0.744 -6.251 1.00 0.37 H new ATOM 0 HB2 LYS A 847 9.753 0.742 -8.706 1.00 0.44 H new ATOM 0 HB3 LYS A 847 8.144 0.215 -9.157 1.00 0.44 H new ATOM 0 HG2 LYS A 847 8.028 2.548 -9.359 1.00 0.63 H new ATOM 0 HG3 LYS A 847 7.276 2.241 -7.806 1.00 0.63 H new ATOM 0 HD2 LYS A 847 8.811 4.111 -7.574 1.00 1.29 H new ATOM 0 HD3 LYS A 847 9.442 2.750 -6.668 1.00 1.29 H new ATOM 0 HE2 LYS A 847 10.986 2.195 -8.505 1.00 1.80 H new ATOM 0 HE3 LYS A 847 10.308 3.471 -9.496 1.00 1.80 H new ATOM 0 HZ1 LYS A 847 12.355 4.169 -8.450 1.00 2.40 H new ATOM 0 HZ2 LYS A 847 11.059 5.098 -7.867 1.00 2.40 H new ATOM 0 HZ3 LYS A 847 11.716 3.862 -6.907 1.00 2.40 H new ATOM 1111 N PHE A 848 7.225 -1.967 -7.449 1.00 0.32 N ATOM 1112 CA PHE A 848 6.009 -2.773 -7.443 1.00 0.30 C ATOM 1113 C PHE A 848 5.561 -3.029 -6.012 1.00 0.24 C ATOM 1114 O PHE A 848 6.322 -3.573 -5.204 1.00 0.21 O ATOM 1115 CB PHE A 848 6.243 -4.118 -8.138 1.00 0.31 C ATOM 1116 CG PHE A 848 4.981 -4.764 -8.642 1.00 0.35 C ATOM 1117 CD1 PHE A 848 4.318 -4.281 -9.763 1.00 0.46 C ATOM 1118 CD2 PHE A 848 4.455 -5.867 -7.986 1.00 0.35 C ATOM 1119 CE1 PHE A 848 3.160 -4.885 -10.213 1.00 0.54 C ATOM 1120 CE2 PHE A 848 3.297 -6.470 -8.432 1.00 0.42 C ATOM 1121 CZ PHE A 848 2.650 -5.940 -9.598 1.00 0.52 C ATOM 0 H PHE A 848 8.047 -2.446 -7.818 1.00 0.32 H new ATOM 0 HA PHE A 848 5.238 -2.222 -7.981 1.00 0.30 H new ATOM 0 HB2 PHE A 848 6.925 -3.971 -8.975 1.00 0.31 H new ATOM 0 HB3 PHE A 848 6.735 -4.797 -7.441 1.00 0.31 H new ATOM 0 HD1 PHE A 848 4.712 -3.424 -10.289 1.00 0.46 H new ATOM 0 HD2 PHE A 848 4.958 -6.259 -7.115 1.00 0.35 H new ATOM 0 HE1 PHE A 848 2.661 -4.488 -11.085 1.00 0.54 H new ATOM 0 HE2 PHE A 848 2.886 -7.324 -7.914 1.00 0.42 H new ATOM 0 HZ PHE A 848 1.748 -6.401 -9.973 1.00 0.52 H new ATOM 1131 N LEU A 849 4.324 -2.673 -5.716 1.00 0.22 N ATOM 1132 CA LEU A 849 3.782 -2.850 -4.386 1.00 0.18 C ATOM 1133 C LEU A 849 2.449 -3.585 -4.451 1.00 0.17 C ATOM 1134 O LEU A 849 1.668 -3.413 -5.388 1.00 0.19 O ATOM 1135 CB LEU A 849 3.602 -1.491 -3.703 1.00 0.20 C ATOM 1136 CG LEU A 849 3.355 -1.546 -2.198 1.00 0.24 C ATOM 1137 CD1 LEU A 849 4.561 -2.127 -1.479 1.00 0.56 C ATOM 1138 CD2 LEU A 849 3.055 -0.160 -1.674 1.00 0.55 C ATOM 0 H LEU A 849 3.675 -2.258 -6.384 1.00 0.22 H new ATOM 0 HA LEU A 849 4.482 -3.447 -3.802 1.00 0.18 H new ATOM 0 HB2 LEU A 849 4.492 -0.890 -3.887 1.00 0.20 H new ATOM 0 HB3 LEU A 849 2.765 -0.974 -4.173 1.00 0.20 H new ATOM 0 HG LEU A 849 2.498 -2.192 -2.010 1.00 0.24 H new ATOM 0 HD11 LEU A 849 4.365 -2.158 -0.407 1.00 0.56 H new ATOM 0 HD12 LEU A 849 4.750 -3.137 -1.843 1.00 0.56 H new ATOM 0 HD13 LEU A 849 5.434 -1.503 -1.671 1.00 0.56 H new ATOM 0 HD21 LEU A 849 2.880 -0.207 -0.599 1.00 0.55 H new ATOM 0 HD22 LEU A 849 3.902 0.496 -1.875 1.00 0.55 H new ATOM 0 HD23 LEU A 849 2.167 0.232 -2.169 1.00 0.55 H new ATOM 1150 N ASN A 850 2.214 -4.427 -3.466 1.00 0.16 N ATOM 1151 CA ASN A 850 0.981 -5.190 -3.380 1.00 0.17 C ATOM 1152 C ASN A 850 0.382 -5.013 -1.998 1.00 0.17 C ATOM 1153 O ASN A 850 1.105 -4.736 -1.051 1.00 0.16 O ATOM 1154 CB ASN A 850 1.232 -6.669 -3.666 1.00 0.19 C ATOM 1155 CG ASN A 850 1.595 -6.934 -5.114 1.00 0.34 C ATOM 1156 OD1 ASN A 850 0.747 -6.890 -6.004 1.00 0.96 O ATOM 1157 ND2 ASN A 850 2.871 -7.184 -5.362 1.00 0.45 N ATOM 0 H ASN A 850 2.868 -4.603 -2.704 1.00 0.16 H new ATOM 0 HA ASN A 850 0.282 -4.821 -4.131 1.00 0.17 H new ATOM 0 HB2 ASN A 850 2.036 -7.027 -3.023 1.00 0.19 H new ATOM 0 HB3 ASN A 850 0.340 -7.240 -3.409 1.00 0.19 H new ATOM 0 HD21 ASN A 850 3.182 -7.349 -6.319 1.00 0.45 H new ATOM 0 HD22 ASN A 850 3.544 -7.212 -4.596 1.00 0.45 H new ATOM 1164 N ILE A 851 -0.938 -4.991 -1.920 1.00 0.18 N ATOM 1165 CA ILE A 851 -1.622 -4.644 -0.680 1.00 0.21 C ATOM 1166 C ILE A 851 -2.637 -5.717 -0.329 1.00 0.24 C ATOM 1167 O ILE A 851 -3.466 -6.082 -1.151 1.00 0.26 O ATOM 1168 CB ILE A 851 -2.397 -3.305 -0.796 1.00 0.25 C ATOM 1169 CG1 ILE A 851 -1.853 -2.417 -1.921 1.00 0.24 C ATOM 1170 CG2 ILE A 851 -2.374 -2.543 0.520 1.00 0.35 C ATOM 1171 CD1 ILE A 851 -0.460 -1.869 -1.676 1.00 0.28 C ATOM 0 H ILE A 851 -1.560 -5.209 -2.699 1.00 0.18 H new ATOM 0 HA ILE A 851 -0.851 -4.554 0.085 1.00 0.21 H new ATOM 0 HB ILE A 851 -3.428 -3.562 -1.040 1.00 0.25 H new ATOM 0 HG12 ILE A 851 -1.845 -2.991 -2.848 1.00 0.24 H new ATOM 0 HG13 ILE A 851 -2.537 -1.581 -2.069 1.00 0.24 H new ATOM 0 HG21 ILE A 851 -2.925 -1.609 0.409 1.00 0.35 H new ATOM 0 HG22 ILE A 851 -2.838 -3.148 1.299 1.00 0.35 H new ATOM 0 HG23 ILE A 851 -1.342 -2.325 0.796 1.00 0.35 H new ATOM 0 HD11 ILE A 851 -0.157 -1.253 -2.523 1.00 0.28 H new ATOM 0 HD12 ILE A 851 -0.461 -1.264 -0.769 1.00 0.28 H new ATOM 0 HD13 ILE A 851 0.241 -2.696 -1.560 1.00 0.28 H new ATOM 1183 N ARG A 852 -2.618 -6.184 0.902 1.00 0.30 N ATOM 1184 CA ARG A 852 -3.606 -7.140 1.335 1.00 0.37 C ATOM 1185 C ARG A 852 -4.607 -6.502 2.280 1.00 0.39 C ATOM 1186 O ARG A 852 -4.223 -5.944 3.309 1.00 0.43 O ATOM 1187 CB ARG A 852 -2.969 -8.332 2.020 1.00 0.46 C ATOM 1188 CG ARG A 852 -4.002 -9.328 2.509 1.00 0.60 C ATOM 1189 CD ARG A 852 -3.363 -10.558 3.098 1.00 0.70 C ATOM 1190 NE ARG A 852 -4.365 -11.498 3.595 1.00 1.27 N ATOM 1191 CZ ARG A 852 -4.156 -12.806 3.727 1.00 1.63 C ATOM 1192 NH1 ARG A 852 -3.036 -13.350 3.272 1.00 1.72 N ATOM 1193 NH2 ARG A 852 -5.094 -13.579 4.262 1.00 2.38 N ATOM 0 H ARG A 852 -1.935 -5.918 1.612 1.00 0.30 H new ATOM 0 HA ARG A 852 -4.122 -7.484 0.439 1.00 0.37 H new ATOM 0 HB2 ARG A 852 -2.289 -8.827 1.327 1.00 0.46 H new ATOM 0 HB3 ARG A 852 -2.370 -7.988 2.863 1.00 0.46 H new ATOM 0 HG2 ARG A 852 -4.636 -8.854 3.258 1.00 0.60 H new ATOM 0 HG3 ARG A 852 -4.649 -9.616 1.680 1.00 0.60 H new ATOM 0 HD2 ARG A 852 -2.748 -11.047 2.342 1.00 0.70 H new ATOM 0 HD3 ARG A 852 -2.698 -10.269 3.912 1.00 0.70 H new ATOM 0 HE ARG A 852 -5.280 -11.130 3.857 1.00 1.27 H new ATOM 0 HH11 ARG A 852 -2.332 -12.766 2.820 1.00 1.72 H new ATOM 0 HH12 ARG A 852 -2.878 -14.352 3.374 1.00 1.72 H new ATOM 0 HH21 ARG A 852 -5.976 -13.171 4.572 1.00 2.38 H new ATOM 0 HH22 ARG A 852 -4.933 -14.581 4.363 1.00 2.38 H new ATOM 1207 N LEU A 853 -5.882 -6.751 2.026 1.00 0.46 N ATOM 1208 CA LEU A 853 -6.918 -6.401 2.976 1.00 0.54 C ATOM 1209 C LEU A 853 -7.304 -7.668 3.717 1.00 0.63 C ATOM 1210 O LEU A 853 -7.250 -8.750 3.134 1.00 1.15 O ATOM 1211 CB LEU A 853 -8.132 -5.800 2.285 1.00 0.71 C ATOM 1212 CG LEU A 853 -7.897 -4.524 1.461 1.00 0.59 C ATOM 1213 CD1 LEU A 853 -7.012 -3.541 2.207 1.00 1.12 C ATOM 1214 CD2 LEU A 853 -7.314 -4.849 0.091 1.00 1.56 C ATOM 0 H LEU A 853 -6.221 -7.193 1.171 1.00 0.46 H new ATOM 0 HA LEU A 853 -6.544 -5.645 3.666 1.00 0.54 H new ATOM 0 HB2 LEU A 853 -8.558 -6.557 1.626 1.00 0.71 H new ATOM 0 HB3 LEU A 853 -8.882 -5.581 3.045 1.00 0.71 H new ATOM 0 HG LEU A 853 -8.867 -4.051 1.308 1.00 0.59 H new ATOM 0 HD11 LEU A 853 -6.865 -2.649 1.598 1.00 1.12 H new ATOM 0 HD12 LEU A 853 -7.488 -3.264 3.147 1.00 1.12 H new ATOM 0 HD13 LEU A 853 -6.047 -4.004 2.412 1.00 1.12 H new ATOM 0 HD21 LEU A 853 -7.160 -3.926 -0.467 1.00 1.56 H new ATOM 0 HD22 LEU A 853 -6.360 -5.363 0.214 1.00 1.56 H new ATOM 0 HD23 LEU A 853 -8.004 -5.492 -0.455 1.00 1.56 H new ATOM 1226 N TYR A 854 -7.550 -7.570 5.011 1.00 0.99 N ATOM 1227 CA TYR A 854 -7.810 -8.757 5.812 1.00 1.08 C ATOM 1228 C TYR A 854 -8.356 -8.371 7.181 1.00 1.25 C ATOM 1229 O TYR A 854 -8.645 -9.283 7.986 1.00 1.67 O ATOM 1230 CB TYR A 854 -6.526 -9.588 5.966 1.00 0.91 C ATOM 1231 CG TYR A 854 -5.468 -8.932 6.825 1.00 0.77 C ATOM 1232 CD1 TYR A 854 -4.709 -7.878 6.339 1.00 0.90 C ATOM 1233 CD2 TYR A 854 -5.222 -9.377 8.118 1.00 0.88 C ATOM 1234 CE1 TYR A 854 -3.737 -7.284 7.113 1.00 0.86 C ATOM 1235 CE2 TYR A 854 -4.252 -8.786 8.901 1.00 0.93 C ATOM 1236 CZ TYR A 854 -3.510 -7.740 8.395 1.00 0.79 C ATOM 1237 OH TYR A 854 -2.534 -7.158 9.169 1.00 0.92 O ATOM 1238 OXT TYR A 854 -8.491 -7.159 7.447 1.00 1.77 O ATOM 0 H TYR A 854 -7.576 -6.691 5.528 1.00 0.99 H new ATOM 0 HA TYR A 854 -8.559 -9.361 5.300 1.00 1.08 H new ATOM 0 HB2 TYR A 854 -6.781 -10.556 6.398 1.00 0.91 H new ATOM 0 HB3 TYR A 854 -6.109 -9.780 4.977 1.00 0.91 H new ATOM 0 HD1 TYR A 854 -4.883 -7.517 5.336 1.00 0.90 H new ATOM 0 HD2 TYR A 854 -5.799 -10.198 8.516 1.00 0.88 H new ATOM 0 HE1 TYR A 854 -3.155 -6.465 6.718 1.00 0.86 H new ATOM 0 HE2 TYR A 854 -4.075 -9.141 9.905 1.00 0.93 H new ATOM 0 HH TYR A 854 -2.506 -7.597 10.045 1.00 0.92 H new