USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 651 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 108 GLN : amide:sc= -0.22 K(o=-0.79,f=-0.27) USER MOD Set 1.2: A 110 ASN : amide:sc= -0.572 K(o=-0.79,f=-0.27) USER MOD Set 2.1: A 83 ASN : amide:sc= -2.3! C(o=-2.4!,f=-1.5!) USER MOD Set 2.2: A 84 ASN : amide:sc= -0.0638 K(o=-2.4,f=-1.5) USER MOD Set 3.1: A 70 GLN : amide:sc= -0.108 X(o=1.1,f=1.2) USER MOD Set 3.2: A 74 THR OG1 : rot 76:sc= 1.23 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -81:sc= 1.01 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HE2:sc= -0.0363 K(o=-0.036,f=-1.1) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 74:sc= 0.263 USER MOD Single : A 99 ASN : amide:sc= -0.585 X(o=-0.58,f=-0.26) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -0.299 X(o=-0.3,f=-0.75) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0745) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 36 -15.041 -19.138 7.169 1.00 0.00 N ATOM 2 CA GLY A 36 -15.629 -17.986 6.430 1.00 0.00 C ATOM 3 C GLY A 36 -14.696 -16.790 6.366 1.00 0.00 C ATOM 4 O GLY A 36 -14.348 -16.333 5.277 1.00 0.00 O ATOM 0 HA2 GLY A 36 -15.880 -18.300 5.417 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.561 -17.689 6.911 1.00 0.00 H new ATOM 10 N GLU A 37 -14.297 -16.288 7.542 1.00 0.00 N ATOM 11 CA GLU A 37 -13.399 -15.132 7.652 1.00 0.00 C ATOM 12 C GLU A 37 -13.771 -14.026 6.661 1.00 0.00 C ATOM 13 O GLU A 37 -13.208 -13.937 5.568 1.00 0.00 O ATOM 14 CB GLU A 37 -11.929 -15.553 7.475 1.00 0.00 C ATOM 15 CG GLU A 37 -11.659 -16.426 6.255 1.00 0.00 C ATOM 16 CD GLU A 37 -10.179 -16.683 6.035 1.00 0.00 C ATOM 17 OE1 GLU A 37 -9.609 -17.527 6.760 1.00 0.00 O ATOM 18 OE2 GLU A 37 -9.590 -16.042 5.139 1.00 0.00 O ATOM 0 H GLU A 37 -14.587 -16.671 8.442 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.519 -14.726 8.656 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.314 -14.656 7.406 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.609 -16.091 8.368 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.175 -17.379 6.373 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.076 -15.945 5.370 1.00 0.00 H new ATOM 25 N ASN A 38 -14.730 -13.185 7.060 1.00 0.00 N ATOM 26 CA ASN A 38 -15.197 -12.076 6.224 1.00 0.00 C ATOM 27 C ASN A 38 -15.888 -12.586 4.955 1.00 0.00 C ATOM 28 O ASN A 38 -16.031 -13.794 4.755 1.00 0.00 O ATOM 29 CB ASN A 38 -14.030 -11.147 5.860 1.00 0.00 C ATOM 30 CG ASN A 38 -13.790 -10.082 6.914 1.00 0.00 C ATOM 31 OD1 ASN A 38 -13.335 -10.378 8.020 1.00 0.00 O ATOM 32 ND2 ASN A 38 -14.097 -8.833 6.580 1.00 0.00 N ATOM 0 H ASN A 38 -15.200 -13.253 7.963 1.00 0.00 H new ATOM 0 HA ASN A 38 -15.929 -11.511 6.801 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -13.124 -11.739 5.732 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -14.235 -10.668 4.903 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.958 -8.077 7.250 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -14.472 -8.630 5.653 1.00 0.00 H new ATOM 39 N SER A 39 -16.319 -11.654 4.103 1.00 0.00 N ATOM 40 CA SER A 39 -16.996 -12.003 2.856 1.00 0.00 C ATOM 41 C SER A 39 -16.290 -11.378 1.654 1.00 0.00 C ATOM 42 O SER A 39 -15.678 -10.314 1.768 1.00 0.00 O ATOM 43 CB SER A 39 -18.456 -11.546 2.896 1.00 0.00 C ATOM 44 OG SER A 39 -19.291 -12.552 3.444 1.00 0.00 O ATOM 0 H SER A 39 -16.210 -10.651 4.255 1.00 0.00 H new ATOM 0 HA SER A 39 -16.963 -13.087 2.750 1.00 0.00 H new ATOM 0 HB2 SER A 39 -18.539 -10.636 3.491 1.00 0.00 H new ATOM 0 HB3 SER A 39 -18.791 -11.300 1.888 1.00 0.00 H new ATOM 0 HG SER A 39 -20.218 -12.235 3.460 1.00 0.00 H new ATOM 50 N ALA A 40 -16.382 -12.054 0.504 1.00 0.00 N ATOM 51 CA ALA A 40 -15.757 -11.587 -0.735 1.00 0.00 C ATOM 52 C ALA A 40 -14.232 -11.592 -0.615 1.00 0.00 C ATOM 53 O ALA A 40 -13.629 -10.610 -0.175 1.00 0.00 O ATOM 54 CB ALA A 40 -16.270 -10.201 -1.111 1.00 0.00 C ATOM 0 H ALA A 40 -16.888 -12.934 0.407 1.00 0.00 H new ATOM 0 HA ALA A 40 -16.032 -12.277 -1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.792 -9.874 -2.035 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.350 -10.239 -1.255 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -16.035 -9.497 -0.312 1.00 0.00 H new ATOM 60 N PRO A 41 -13.588 -12.716 -0.999 1.00 0.00 N ATOM 61 CA PRO A 41 -12.126 -12.867 -0.929 1.00 0.00 C ATOM 62 C PRO A 41 -11.374 -11.735 -1.624 1.00 0.00 C ATOM 63 O PRO A 41 -11.904 -11.083 -2.526 1.00 0.00 O ATOM 64 CB PRO A 41 -11.869 -14.191 -1.652 1.00 0.00 C ATOM 65 CG PRO A 41 -13.136 -14.955 -1.502 1.00 0.00 C ATOM 66 CD PRO A 41 -14.239 -13.934 -1.521 1.00 0.00 C ATOM 0 HA PRO A 41 -11.774 -12.845 0.102 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.627 -14.028 -2.702 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.029 -14.727 -1.210 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -13.256 -15.675 -2.312 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -13.143 -15.520 -0.570 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -14.628 -13.782 -2.528 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -15.079 -14.239 -0.897 1.00 0.00 H new ATOM 74 N VAL A 42 -10.133 -11.514 -1.196 1.00 0.00 N ATOM 75 CA VAL A 42 -9.294 -10.465 -1.772 1.00 0.00 C ATOM 76 C VAL A 42 -7.838 -10.590 -1.308 1.00 0.00 C ATOM 77 O VAL A 42 -6.912 -10.441 -2.107 1.00 0.00 O ATOM 78 CB VAL A 42 -9.836 -9.056 -1.433 1.00 0.00 C ATOM 79 CG1 VAL A 42 -9.855 -8.819 0.072 1.00 0.00 C ATOM 80 CG2 VAL A 42 -9.022 -7.984 -2.140 1.00 0.00 C ATOM 0 H VAL A 42 -9.685 -12.048 -0.451 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.324 -10.597 -2.854 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.864 -8.997 -1.790 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.241 -7.821 0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.495 -9.561 0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.843 -8.906 0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.419 -7.001 -1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.982 -8.048 -1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.081 -8.134 -3.218 1.00 0.00 H new ATOM 90 N GLY A 43 -7.647 -10.871 -0.017 1.00 0.00 N ATOM 91 CA GLY A 43 -6.308 -11.020 0.533 1.00 0.00 C ATOM 92 C GLY A 43 -5.612 -12.289 0.064 1.00 0.00 C ATOM 93 O GLY A 43 -4.414 -12.274 -0.216 1.00 0.00 O ATOM 0 H GLY A 43 -8.400 -10.998 0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.706 -10.156 0.250 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.366 -11.025 1.621 1.00 0.00 H new ATOM 97 N ALA A 44 -6.364 -13.388 -0.029 1.00 0.00 N ATOM 98 CA ALA A 44 -5.807 -14.666 -0.475 1.00 0.00 C ATOM 99 C ALA A 44 -5.378 -14.603 -1.941 1.00 0.00 C ATOM 100 O ALA A 44 -4.360 -15.184 -2.325 1.00 0.00 O ATOM 101 CB ALA A 44 -6.815 -15.789 -0.270 1.00 0.00 C ATOM 0 H ALA A 44 -7.358 -13.418 0.198 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.923 -14.871 0.128 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.383 -16.731 -0.607 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.067 -15.863 0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.717 -15.577 -0.844 1.00 0.00 H new ATOM 107 N ALA A 45 -6.159 -13.888 -2.755 1.00 0.00 N ATOM 108 CA ALA A 45 -5.860 -13.742 -4.178 1.00 0.00 C ATOM 109 C ALA A 45 -4.550 -12.982 -4.393 1.00 0.00 C ATOM 110 O ALA A 45 -3.798 -13.282 -5.321 1.00 0.00 O ATOM 111 CB ALA A 45 -7.006 -13.038 -4.896 1.00 0.00 C ATOM 0 H ALA A 45 -7.003 -13.402 -2.451 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.744 -14.741 -4.599 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.766 -12.938 -5.954 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.919 -13.623 -4.785 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.154 -12.049 -4.463 1.00 0.00 H new ATOM 117 N ILE A 46 -4.283 -12.000 -3.528 1.00 0.00 N ATOM 118 CA ILE A 46 -3.060 -11.202 -3.624 1.00 0.00 C ATOM 119 C ILE A 46 -1.891 -11.861 -2.884 1.00 0.00 C ATOM 120 O ILE A 46 -0.729 -11.589 -3.192 1.00 0.00 O ATOM 121 CB ILE A 46 -3.262 -9.769 -3.079 1.00 0.00 C ATOM 122 CG1 ILE A 46 -3.680 -9.793 -1.605 1.00 0.00 C ATOM 123 CG2 ILE A 46 -4.292 -9.020 -3.915 1.00 0.00 C ATOM 124 CD1 ILE A 46 -3.477 -8.470 -0.899 1.00 0.00 C ATOM 0 H ILE A 46 -4.896 -11.740 -2.756 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.820 -11.145 -4.686 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.309 -9.244 -3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.731 -10.074 -1.538 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.110 -10.564 -1.086 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.421 -8.014 -3.517 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.949 -8.960 -4.948 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.244 -9.549 -3.879 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.794 -8.560 0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.422 -8.197 -0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.068 -7.699 -1.393 1.00 0.00 H new ATOM 136 N ALA A 47 -2.198 -12.723 -1.909 1.00 0.00 N ATOM 137 CA ALA A 47 -1.165 -13.410 -1.133 1.00 0.00 C ATOM 138 C ALA A 47 -0.200 -14.180 -2.036 1.00 0.00 C ATOM 139 O ALA A 47 0.998 -14.248 -1.758 1.00 0.00 O ATOM 140 CB ALA A 47 -1.797 -14.349 -0.116 1.00 0.00 C ATOM 0 H ALA A 47 -3.153 -12.960 -1.640 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.592 -12.649 -0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.014 -14.851 0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.428 -13.777 0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.403 -15.092 -0.634 1.00 0.00 H new ATOM 146 N ASN A 48 -0.724 -14.748 -3.124 1.00 0.00 N ATOM 147 CA ASN A 48 0.099 -15.500 -4.072 1.00 0.00 C ATOM 148 C ASN A 48 0.781 -14.551 -5.054 1.00 0.00 C ATOM 149 O ASN A 48 1.870 -14.835 -5.555 1.00 0.00 O ATOM 150 CB ASN A 48 -0.752 -16.521 -4.832 1.00 0.00 C ATOM 151 CG ASN A 48 -1.270 -17.629 -3.932 1.00 0.00 C ATOM 152 OD1 ASN A 48 -0.492 -18.378 -3.341 1.00 0.00 O ATOM 153 ND2 ASN A 48 -2.590 -17.740 -3.823 1.00 0.00 N ATOM 0 H ASN A 48 -1.713 -14.701 -3.370 1.00 0.00 H new ATOM 0 HA ASN A 48 0.865 -16.035 -3.511 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.595 -16.012 -5.298 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.159 -16.957 -5.636 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.994 -18.467 -3.232 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.199 -17.098 -4.330 1.00 0.00 H new ATOM 160 N PHE A 49 0.131 -13.418 -5.314 1.00 0.00 N ATOM 161 CA PHE A 49 0.662 -12.409 -6.221 1.00 0.00 C ATOM 162 C PHE A 49 1.922 -11.756 -5.643 1.00 0.00 C ATOM 163 O PHE A 49 2.842 -11.408 -6.384 1.00 0.00 O ATOM 164 CB PHE A 49 -0.406 -11.347 -6.490 1.00 0.00 C ATOM 165 CG PHE A 49 -1.043 -11.460 -7.846 1.00 0.00 C ATOM 166 CD1 PHE A 49 -1.900 -12.509 -8.139 1.00 0.00 C ATOM 167 CD2 PHE A 49 -0.786 -10.516 -8.827 1.00 0.00 C ATOM 168 CE1 PHE A 49 -2.488 -12.615 -9.384 1.00 0.00 C ATOM 169 CE2 PHE A 49 -1.371 -10.617 -10.075 1.00 0.00 C ATOM 170 CZ PHE A 49 -2.224 -11.667 -10.353 1.00 0.00 C ATOM 0 H PHE A 49 -0.771 -13.177 -4.904 1.00 0.00 H new ATOM 0 HA PHE A 49 0.935 -12.895 -7.158 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.181 -11.422 -5.727 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.044 -10.359 -6.391 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.111 -13.253 -7.385 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.121 -9.692 -8.614 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.153 -13.438 -9.600 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.161 -9.876 -10.832 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.684 -11.747 -11.327 1.00 0.00 H new ATOM 180 N LEU A 50 1.955 -11.598 -4.318 1.00 0.00 N ATOM 181 CA LEU A 50 3.101 -10.993 -3.639 1.00 0.00 C ATOM 182 C LEU A 50 4.210 -12.022 -3.415 1.00 0.00 C ATOM 183 O LEU A 50 3.987 -13.227 -3.546 1.00 0.00 O ATOM 184 CB LEU A 50 2.671 -10.392 -2.295 1.00 0.00 C ATOM 185 CG LEU A 50 2.358 -8.893 -2.319 1.00 0.00 C ATOM 186 CD1 LEU A 50 0.856 -8.659 -2.249 1.00 0.00 C ATOM 187 CD2 LEU A 50 3.064 -8.181 -1.173 1.00 0.00 C ATOM 0 H LEU A 50 1.200 -11.881 -3.694 1.00 0.00 H new ATOM 0 HA LEU A 50 3.488 -10.199 -4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.788 -10.925 -1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.462 -10.570 -1.566 1.00 0.00 H new ATOM 0 HG LEU A 50 2.726 -8.481 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.653 -7.588 -2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.374 -9.134 -3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.464 -9.087 -1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.830 -7.117 -1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.727 -8.597 -0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.141 -8.319 -1.268 1.00 0.00 H new ATOM 199 N GLU A 51 5.402 -11.538 -3.069 1.00 0.00 N ATOM 200 CA GLU A 51 6.545 -12.415 -2.821 1.00 0.00 C ATOM 201 C GLU A 51 6.830 -12.528 -1.324 1.00 0.00 C ATOM 202 O GLU A 51 6.519 -11.614 -0.557 1.00 0.00 O ATOM 203 CB GLU A 51 7.791 -11.895 -3.547 1.00 0.00 C ATOM 204 CG GLU A 51 7.534 -11.483 -4.989 1.00 0.00 C ATOM 205 CD GLU A 51 7.361 -12.670 -5.918 1.00 0.00 C ATOM 206 OE1 GLU A 51 6.343 -13.382 -5.789 1.00 0.00 O ATOM 207 OE2 GLU A 51 8.244 -12.886 -6.773 1.00 0.00 O ATOM 0 H GLU A 51 5.601 -10.544 -2.954 1.00 0.00 H new ATOM 0 HA GLU A 51 6.296 -13.404 -3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.189 -11.040 -3.000 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.559 -12.669 -3.531 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.639 -10.862 -5.031 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.364 -10.870 -5.340 1.00 0.00 H new ATOM 214 N PRO A 52 7.433 -13.655 -0.888 1.00 0.00 N ATOM 215 CA PRO A 52 7.766 -13.883 0.526 1.00 0.00 C ATOM 216 C PRO A 52 8.590 -12.742 1.121 1.00 0.00 C ATOM 217 O PRO A 52 8.373 -12.345 2.266 1.00 0.00 O ATOM 218 CB PRO A 52 8.583 -15.178 0.499 1.00 0.00 C ATOM 219 CG PRO A 52 8.150 -15.875 -0.742 1.00 0.00 C ATOM 220 CD PRO A 52 7.839 -14.792 -1.738 1.00 0.00 C ATOM 0 HA PRO A 52 6.873 -13.942 1.148 1.00 0.00 H new ATOM 0 HB2 PRO A 52 9.653 -14.970 0.483 1.00 0.00 H new ATOM 0 HB3 PRO A 52 8.389 -15.786 1.382 1.00 0.00 H new ATOM 0 HG2 PRO A 52 8.935 -16.534 -1.114 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.274 -16.497 -0.555 1.00 0.00 H new ATOM 0 HD2 PRO A 52 8.707 -14.547 -2.350 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.042 -15.089 -2.420 1.00 0.00 H new ATOM 228 N GLN A 53 9.530 -12.213 0.333 1.00 0.00 N ATOM 229 CA GLN A 53 10.379 -11.111 0.782 1.00 0.00 C ATOM 230 C GLN A 53 9.558 -9.833 0.957 1.00 0.00 C ATOM 231 O GLN A 53 9.697 -9.128 1.958 1.00 0.00 O ATOM 232 CB GLN A 53 11.519 -10.868 -0.212 1.00 0.00 C ATOM 233 CG GLN A 53 12.536 -11.999 -0.267 1.00 0.00 C ATOM 234 CD GLN A 53 13.668 -11.810 0.725 1.00 0.00 C ATOM 235 OE1 GLN A 53 14.535 -10.957 0.538 1.00 0.00 O ATOM 236 NE2 GLN A 53 13.668 -12.608 1.787 1.00 0.00 N ATOM 0 H GLN A 53 9.721 -12.531 -0.617 1.00 0.00 H new ATOM 0 HA GLN A 53 10.807 -11.387 1.746 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.097 -10.722 -1.206 1.00 0.00 H new ATOM 0 HB3 GLN A 53 12.031 -9.944 0.055 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.034 -12.945 -0.065 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.947 -12.065 -1.274 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.930 -13.302 1.903 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.406 -12.527 2.486 1.00 0.00 H new ATOM 245 N ALA A 54 8.695 -9.546 -0.021 1.00 0.00 N ATOM 246 CA ALA A 54 7.841 -8.359 0.026 1.00 0.00 C ATOM 247 C ALA A 54 6.883 -8.412 1.216 1.00 0.00 C ATOM 248 O ALA A 54 6.596 -7.386 1.835 1.00 0.00 O ATOM 249 CB ALA A 54 7.059 -8.218 -1.272 1.00 0.00 C ATOM 0 H ALA A 54 8.570 -10.120 -0.855 1.00 0.00 H new ATOM 0 HA ALA A 54 8.485 -7.488 0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.428 -7.331 -1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.754 -8.123 -2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.434 -9.099 -1.418 1.00 0.00 H new ATOM 255 N LEU A 55 6.394 -9.614 1.532 1.00 0.00 N ATOM 256 CA LEU A 55 5.471 -9.802 2.651 1.00 0.00 C ATOM 257 C LEU A 55 6.108 -9.349 3.965 1.00 0.00 C ATOM 258 O LEU A 55 5.458 -8.701 4.785 1.00 0.00 O ATOM 259 CB LEU A 55 5.045 -11.272 2.755 1.00 0.00 C ATOM 260 CG LEU A 55 3.564 -11.543 2.470 1.00 0.00 C ATOM 261 CD1 LEU A 55 3.360 -11.937 1.013 1.00 0.00 C ATOM 262 CD2 LEU A 55 3.033 -12.627 3.398 1.00 0.00 C ATOM 0 H LEU A 55 6.623 -10.471 1.028 1.00 0.00 H new ATOM 0 HA LEU A 55 4.588 -9.190 2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.646 -11.858 2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.277 -11.631 3.758 1.00 0.00 H new ATOM 0 HG LEU A 55 3.005 -10.626 2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.302 -12.125 0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.701 -11.129 0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.931 -12.840 0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.980 -12.807 3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.597 -13.547 3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.141 -12.304 4.434 1.00 0.00 H new ATOM 274 N GLU A 56 7.386 -9.687 4.155 1.00 0.00 N ATOM 275 CA GLU A 56 8.112 -9.309 5.367 1.00 0.00 C ATOM 276 C GLU A 56 8.207 -7.788 5.500 1.00 0.00 C ATOM 277 O GLU A 56 7.931 -7.233 6.565 1.00 0.00 O ATOM 278 CB GLU A 56 9.516 -9.924 5.361 1.00 0.00 C ATOM 279 CG GLU A 56 9.698 -11.033 6.387 1.00 0.00 C ATOM 280 CD GLU A 56 11.139 -11.195 6.834 1.00 0.00 C ATOM 281 OE1 GLU A 56 11.736 -10.201 7.303 1.00 0.00 O ATOM 282 OE2 GLU A 56 11.671 -12.319 6.721 1.00 0.00 O ATOM 0 H GLU A 56 7.938 -10.222 3.484 1.00 0.00 H new ATOM 0 HA GLU A 56 7.559 -9.693 6.224 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.726 -10.321 4.368 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.248 -9.140 5.552 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.075 -10.822 7.256 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.347 -11.974 5.963 1.00 0.00 H new ATOM 289 N ARG A 57 8.593 -7.118 4.411 1.00 0.00 N ATOM 290 CA ARG A 57 8.717 -5.664 4.406 1.00 0.00 C ATOM 291 C ARG A 57 7.361 -5.001 4.652 1.00 0.00 C ATOM 292 O ARG A 57 7.248 -4.085 5.468 1.00 0.00 O ATOM 293 CB ARG A 57 9.297 -5.191 3.069 1.00 0.00 C ATOM 294 CG ARG A 57 10.329 -4.086 3.206 1.00 0.00 C ATOM 295 CD ARG A 57 9.689 -2.785 3.654 1.00 0.00 C ATOM 296 NE ARG A 57 10.526 -2.059 4.610 1.00 0.00 N ATOM 297 CZ ARG A 57 11.574 -1.303 4.267 1.00 0.00 C ATOM 298 NH1 ARG A 57 11.928 -1.177 2.990 1.00 0.00 N ATOM 299 NH2 ARG A 57 12.273 -0.672 5.207 1.00 0.00 N ATOM 0 H ARG A 57 8.824 -7.562 3.523 1.00 0.00 H new ATOM 0 HA ARG A 57 9.392 -5.375 5.212 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.753 -6.040 2.561 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.483 -4.839 2.435 1.00 0.00 H new ATOM 0 HG2 ARG A 57 11.092 -4.385 3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.833 -3.936 2.251 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.503 -2.155 2.784 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.721 -2.996 4.108 1.00 0.00 H new ATOM 0 HE ARG A 57 10.295 -2.135 5.601 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.398 -1.659 2.264 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.729 -0.598 2.738 1.00 0.00 H new ATOM 0 HH21 ARG A 57 12.009 -0.765 6.188 1.00 0.00 H new ATOM 0 HH22 ARG A 57 13.073 -0.095 4.947 1.00 0.00 H new ATOM 313 N LEU A 58 6.336 -5.477 3.944 1.00 0.00 N ATOM 314 CA LEU A 58 4.982 -4.940 4.084 1.00 0.00 C ATOM 315 C LEU A 58 4.459 -5.142 5.509 1.00 0.00 C ATOM 316 O LEU A 58 3.770 -4.277 6.051 1.00 0.00 O ATOM 317 CB LEU A 58 4.043 -5.607 3.072 1.00 0.00 C ATOM 318 CG LEU A 58 2.730 -4.865 2.800 1.00 0.00 C ATOM 319 CD1 LEU A 58 2.996 -3.485 2.216 1.00 0.00 C ATOM 320 CD2 LEU A 58 1.847 -5.677 1.863 1.00 0.00 C ATOM 0 H LEU A 58 6.418 -6.235 3.266 1.00 0.00 H new ATOM 0 HA LEU A 58 5.015 -3.869 3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.577 -5.722 2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.806 -6.609 3.429 1.00 0.00 H new ATOM 0 HG LEU A 58 2.209 -4.737 3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.048 -2.979 2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.589 -2.900 2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.542 -3.586 1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.918 -5.137 1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.368 -5.835 0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.622 -6.641 2.319 1.00 0.00 H new ATOM 332 N SER A 59 4.799 -6.282 6.114 1.00 0.00 N ATOM 333 CA SER A 59 4.375 -6.583 7.481 1.00 0.00 C ATOM 334 C SER A 59 5.012 -5.607 8.470 1.00 0.00 C ATOM 335 O SER A 59 4.373 -5.183 9.433 1.00 0.00 O ATOM 336 CB SER A 59 4.747 -8.022 7.855 1.00 0.00 C ATOM 337 OG SER A 59 3.705 -8.922 7.517 1.00 0.00 O ATOM 0 H SER A 59 5.366 -7.010 5.679 1.00 0.00 H new ATOM 0 HA SER A 59 3.292 -6.475 7.531 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.663 -8.310 7.339 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.951 -8.082 8.924 1.00 0.00 H new ATOM 0 HG SER A 59 3.967 -9.833 7.764 1.00 0.00 H new ATOM 343 N ARG A 60 6.275 -5.253 8.220 1.00 0.00 N ATOM 344 CA ARG A 60 7.002 -4.324 9.082 1.00 0.00 C ATOM 345 C ARG A 60 6.380 -2.929 9.037 1.00 0.00 C ATOM 346 O ARG A 60 6.183 -2.299 10.077 1.00 0.00 O ATOM 347 CB ARG A 60 8.477 -4.256 8.672 1.00 0.00 C ATOM 348 CG ARG A 60 9.393 -3.733 9.769 1.00 0.00 C ATOM 349 CD ARG A 60 10.239 -4.846 10.371 1.00 0.00 C ATOM 350 NE ARG A 60 9.892 -5.110 11.769 1.00 0.00 N ATOM 351 CZ ARG A 60 10.254 -6.210 12.436 1.00 0.00 C ATOM 352 NH1 ARG A 60 10.976 -7.157 11.840 1.00 0.00 N ATOM 353 NH2 ARG A 60 9.892 -6.365 13.704 1.00 0.00 N ATOM 0 H ARG A 60 6.814 -5.598 7.426 1.00 0.00 H new ATOM 0 HA ARG A 60 6.935 -4.695 10.105 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.809 -5.251 8.377 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.572 -3.615 7.795 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.044 -2.960 9.362 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.795 -3.266 10.551 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.107 -5.757 9.787 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.293 -4.575 10.305 1.00 0.00 H new ATOM 0 HE ARG A 60 9.339 -4.410 12.265 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.258 -7.046 10.866 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.247 -7.993 12.358 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.338 -5.645 14.168 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.168 -7.204 14.214 1.00 0.00 H new ATOM 367 N VAL A 61 6.067 -2.452 7.830 1.00 0.00 N ATOM 368 CA VAL A 61 5.461 -1.131 7.664 1.00 0.00 C ATOM 369 C VAL A 61 4.035 -1.104 8.223 1.00 0.00 C ATOM 370 O VAL A 61 3.634 -0.128 8.858 1.00 0.00 O ATOM 371 CB VAL A 61 5.462 -0.662 6.186 1.00 0.00 C ATOM 372 CG1 VAL A 61 4.654 -1.598 5.300 1.00 0.00 C ATOM 373 CG2 VAL A 61 4.943 0.766 6.079 1.00 0.00 C ATOM 0 H VAL A 61 6.222 -2.958 6.958 1.00 0.00 H new ATOM 0 HA VAL A 61 6.078 -0.434 8.232 1.00 0.00 H new ATOM 0 HB VAL A 61 6.492 -0.685 5.831 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.678 -1.237 4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.082 -2.599 5.343 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.622 -1.629 5.650 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.951 1.079 5.035 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.924 0.813 6.464 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.582 1.430 6.661 1.00 0.00 H new ATOM 383 N ALA A 62 3.278 -2.181 7.987 1.00 0.00 N ATOM 384 CA ALA A 62 1.900 -2.280 8.475 1.00 0.00 C ATOM 385 C ALA A 62 1.829 -2.139 9.998 1.00 0.00 C ATOM 386 O ALA A 62 0.831 -1.656 10.534 1.00 0.00 O ATOM 387 CB ALA A 62 1.275 -3.600 8.044 1.00 0.00 C ATOM 0 H ALA A 62 3.597 -2.995 7.462 1.00 0.00 H new ATOM 0 HA ALA A 62 1.337 -1.457 8.034 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.252 -3.656 8.415 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.270 -3.662 6.956 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.855 -4.428 8.452 1.00 0.00 H new ATOM 393 N LEU A 63 2.892 -2.563 10.689 1.00 0.00 N ATOM 394 CA LEU A 63 2.947 -2.480 12.149 1.00 0.00 C ATOM 395 C LEU A 63 2.926 -1.028 12.619 1.00 0.00 C ATOM 396 O LEU A 63 2.311 -0.705 13.635 1.00 0.00 O ATOM 397 CB LEU A 63 4.209 -3.167 12.684 1.00 0.00 C ATOM 398 CG LEU A 63 4.203 -4.697 12.616 1.00 0.00 C ATOM 399 CD1 LEU A 63 5.616 -5.244 12.763 1.00 0.00 C ATOM 400 CD2 LEU A 63 3.288 -5.278 13.687 1.00 0.00 C ATOM 0 H LEU A 63 3.725 -2.967 10.260 1.00 0.00 H new ATOM 0 HA LEU A 63 2.066 -2.990 12.538 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.068 -2.799 12.123 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.353 -2.867 13.722 1.00 0.00 H new ATOM 0 HG LEU A 63 3.820 -4.996 11.640 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.592 -6.333 12.712 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.241 -4.857 11.959 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.028 -4.935 13.724 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.297 -6.366 13.622 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.639 -4.970 14.672 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.272 -4.914 13.534 1.00 0.00 H new ATOM 412 N VAL A 64 3.608 -0.158 11.876 1.00 0.00 N ATOM 413 CA VAL A 64 3.673 1.258 12.221 1.00 0.00 C ATOM 414 C VAL A 64 2.567 2.045 11.522 1.00 0.00 C ATOM 415 O VAL A 64 1.712 2.643 12.176 1.00 0.00 O ATOM 416 CB VAL A 64 5.043 1.880 11.861 1.00 0.00 C ATOM 417 CG1 VAL A 64 5.443 2.910 12.904 1.00 0.00 C ATOM 418 CG2 VAL A 64 6.122 0.812 11.726 1.00 0.00 C ATOM 0 H VAL A 64 4.122 -0.410 11.032 1.00 0.00 H new ATOM 0 HA VAL A 64 3.537 1.320 13.301 1.00 0.00 H new ATOM 0 HB VAL A 64 4.943 2.374 10.895 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.409 3.340 12.639 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.692 3.699 12.942 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.515 2.430 13.880 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.071 1.284 11.473 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.224 0.276 12.670 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.844 0.111 10.939 1.00 0.00 H new ATOM 428 N ARG A 65 2.589 2.037 10.190 1.00 0.00 N ATOM 429 CA ARG A 65 1.587 2.745 9.402 1.00 0.00 C ATOM 430 C ARG A 65 0.801 1.769 8.531 1.00 0.00 C ATOM 431 O ARG A 65 1.186 1.486 7.394 1.00 0.00 O ATOM 432 CB ARG A 65 2.248 3.818 8.529 1.00 0.00 C ATOM 433 CG ARG A 65 2.371 5.175 9.208 1.00 0.00 C ATOM 434 CD ARG A 65 3.205 5.097 10.480 1.00 0.00 C ATOM 435 NE ARG A 65 3.748 6.401 10.866 1.00 0.00 N ATOM 436 CZ ARG A 65 4.816 6.967 10.295 1.00 0.00 C ATOM 437 NH1 ARG A 65 5.450 6.357 9.296 1.00 0.00 N ATOM 438 NH2 ARG A 65 5.248 8.149 10.723 1.00 0.00 N ATOM 0 H ARG A 65 3.291 1.547 9.636 1.00 0.00 H new ATOM 0 HA ARG A 65 0.896 3.232 10.089 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.242 3.476 8.240 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.671 3.933 7.612 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.825 5.887 8.519 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.377 5.553 9.448 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.591 4.706 11.292 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.024 4.393 10.333 1.00 0.00 H new ATOM 0 HE ARG A 65 3.282 6.909 11.618 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.122 5.451 8.961 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.264 6.795 8.865 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.765 8.623 11.486 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.063 8.582 10.288 1.00 0.00 H new ATOM 452 N ARG A 66 -0.304 1.259 9.074 1.00 0.00 N ATOM 453 CA ARG A 66 -1.154 0.317 8.348 1.00 0.00 C ATOM 454 C ARG A 66 -1.690 0.942 7.059 1.00 0.00 C ATOM 455 O ARG A 66 -1.899 0.244 6.068 1.00 0.00 O ATOM 456 CB ARG A 66 -2.316 -0.153 9.231 1.00 0.00 C ATOM 457 CG ARG A 66 -2.616 -1.640 9.102 1.00 0.00 C ATOM 458 CD ARG A 66 -4.100 -1.933 9.281 1.00 0.00 C ATOM 459 NE ARG A 66 -4.387 -2.591 10.558 1.00 0.00 N ATOM 460 CZ ARG A 66 -5.582 -3.087 10.891 1.00 0.00 C ATOM 461 NH1 ARG A 66 -6.608 -3.000 10.048 1.00 0.00 N ATOM 462 NH2 ARG A 66 -5.753 -3.671 12.072 1.00 0.00 N ATOM 0 H ARG A 66 -0.631 1.482 10.014 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.544 -0.547 8.082 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.085 0.074 10.272 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.210 0.414 8.972 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.291 -1.993 8.123 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.044 -2.193 9.847 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.662 -1.001 9.221 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.444 -2.566 8.463 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.628 -2.676 11.234 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.485 -2.552 9.140 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.517 -3.381 10.310 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.972 -3.741 12.724 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.665 -4.050 12.326 1.00 0.00 H new ATOM 476 N ASP A 67 -1.912 2.260 7.083 1.00 0.00 N ATOM 477 CA ASP A 67 -2.424 2.984 5.917 1.00 0.00 C ATOM 478 C ASP A 67 -1.536 2.764 4.691 1.00 0.00 C ATOM 479 O ASP A 67 -2.035 2.492 3.597 1.00 0.00 O ATOM 480 CB ASP A 67 -2.527 4.482 6.226 1.00 0.00 C ATOM 481 CG ASP A 67 -3.135 5.275 5.084 1.00 0.00 C ATOM 482 OD1 ASP A 67 -2.376 5.705 4.189 1.00 0.00 O ATOM 483 OD2 ASP A 67 -4.368 5.465 5.086 1.00 0.00 O ATOM 0 H ASP A 67 -1.744 2.848 7.900 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.417 2.594 5.691 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.130 4.623 7.123 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.533 4.873 6.446 1.00 0.00 H new ATOM 488 N ARG A 68 -0.222 2.880 4.882 1.00 0.00 N ATOM 489 CA ARG A 68 0.734 2.694 3.795 1.00 0.00 C ATOM 490 C ARG A 68 0.648 1.274 3.232 1.00 0.00 C ATOM 491 O ARG A 68 0.553 1.082 2.019 1.00 0.00 O ATOM 492 CB ARG A 68 2.156 2.981 4.286 1.00 0.00 C ATOM 493 CG ARG A 68 2.508 4.462 4.328 1.00 0.00 C ATOM 494 CD ARG A 68 3.570 4.753 5.381 1.00 0.00 C ATOM 495 NE ARG A 68 4.450 5.858 4.995 1.00 0.00 N ATOM 496 CZ ARG A 68 5.678 6.045 5.491 1.00 0.00 C ATOM 497 NH1 ARG A 68 6.175 5.202 6.394 1.00 0.00 N ATOM 498 NH2 ARG A 68 6.410 7.077 5.085 1.00 0.00 N ATOM 0 H ARG A 68 0.204 3.102 5.782 1.00 0.00 H new ATOM 0 HA ARG A 68 0.486 3.395 2.998 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.277 2.561 5.284 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.865 2.468 3.636 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.868 4.780 3.349 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.612 5.044 4.543 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.084 4.992 6.327 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.168 3.857 5.548 1.00 0.00 H new ATOM 0 HE ARG A 68 4.105 6.526 4.306 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.619 4.408 6.711 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.112 5.350 6.768 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.036 7.728 4.394 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.346 7.219 5.464 1.00 0.00 H new ATOM 512 N ALA A 69 0.671 0.282 4.124 1.00 0.00 N ATOM 513 CA ALA A 69 0.587 -1.120 3.719 1.00 0.00 C ATOM 514 C ALA A 69 -0.761 -1.425 3.071 1.00 0.00 C ATOM 515 O ALA A 69 -0.839 -2.201 2.115 1.00 0.00 O ATOM 516 CB ALA A 69 0.815 -2.030 4.919 1.00 0.00 C ATOM 0 H ALA A 69 0.747 0.425 5.131 1.00 0.00 H new ATOM 0 HA ALA A 69 1.367 -1.307 2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.750 -3.071 4.604 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.803 -1.839 5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.056 -1.832 5.675 1.00 0.00 H new ATOM 522 N GLN A 70 -1.817 -0.801 3.592 1.00 0.00 N ATOM 523 CA GLN A 70 -3.165 -0.995 3.068 1.00 0.00 C ATOM 524 C GLN A 70 -3.240 -0.572 1.604 1.00 0.00 C ATOM 525 O GLN A 70 -3.849 -1.258 0.784 1.00 0.00 O ATOM 526 CB GLN A 70 -4.178 -0.203 3.895 1.00 0.00 C ATOM 527 CG GLN A 70 -5.534 -0.879 3.996 1.00 0.00 C ATOM 528 CD GLN A 70 -6.680 0.079 3.743 1.00 0.00 C ATOM 529 OE1 GLN A 70 -7.548 0.265 4.595 1.00 0.00 O ATOM 530 NE2 GLN A 70 -6.687 0.694 2.566 1.00 0.00 N ATOM 0 H GLN A 70 -1.762 -0.155 4.379 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.407 -2.056 3.136 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -3.779 -0.053 4.898 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.305 0.785 3.452 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -5.583 -1.697 3.277 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.644 -1.319 4.987 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.946 0.509 1.890 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.433 1.351 2.338 1.00 0.00 H new ATOM 539 N ALA A 71 -2.603 0.555 1.284 1.00 0.00 N ATOM 540 CA ALA A 71 -2.582 1.064 -0.083 1.00 0.00 C ATOM 541 C ALA A 71 -1.850 0.094 -1.010 1.00 0.00 C ATOM 542 O ALA A 71 -2.236 -0.071 -2.167 1.00 0.00 O ATOM 543 CB ALA A 71 -1.941 2.442 -0.127 1.00 0.00 C ATOM 0 H ALA A 71 -2.095 1.131 1.955 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.610 1.154 -0.433 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.933 2.807 -1.154 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.512 3.129 0.498 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.918 2.379 0.243 1.00 0.00 H new ATOM 549 N VAL A 72 -0.804 -0.558 -0.492 1.00 0.00 N ATOM 550 CA VAL A 72 -0.041 -1.527 -1.282 1.00 0.00 C ATOM 551 C VAL A 72 -0.916 -2.728 -1.639 1.00 0.00 C ATOM 552 O VAL A 72 -0.969 -3.146 -2.797 1.00 0.00 O ATOM 553 CB VAL A 72 1.218 -2.028 -0.536 1.00 0.00 C ATOM 554 CG1 VAL A 72 2.044 -2.936 -1.438 1.00 0.00 C ATOM 555 CG2 VAL A 72 2.056 -0.859 -0.038 1.00 0.00 C ATOM 0 H VAL A 72 -0.469 -0.433 0.463 1.00 0.00 H new ATOM 0 HA VAL A 72 0.280 -1.012 -2.187 1.00 0.00 H new ATOM 0 HB VAL A 72 0.894 -2.603 0.331 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.926 -3.280 -0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.444 -3.795 -1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.354 -2.383 -2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.935 -1.238 0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.371 -0.250 -0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.463 -0.251 0.645 1.00 0.00 H new ATOM 565 N GLU A 73 -1.611 -3.269 -0.636 1.00 0.00 N ATOM 566 CA GLU A 73 -2.499 -4.414 -0.837 1.00 0.00 C ATOM 567 C GLU A 73 -3.683 -4.029 -1.723 1.00 0.00 C ATOM 568 O GLU A 73 -4.103 -4.800 -2.588 1.00 0.00 O ATOM 569 CB GLU A 73 -3.012 -4.931 0.510 1.00 0.00 C ATOM 570 CG GLU A 73 -1.925 -5.520 1.399 1.00 0.00 C ATOM 571 CD GLU A 73 -1.882 -4.899 2.787 1.00 0.00 C ATOM 572 OE1 GLU A 73 -2.940 -4.454 3.281 1.00 0.00 O ATOM 573 OE2 GLU A 73 -0.786 -4.861 3.383 1.00 0.00 O ATOM 0 H GLU A 73 -1.575 -2.931 0.326 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.931 -5.202 -1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.498 -4.113 1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.773 -5.691 0.331 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.085 -6.594 1.494 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.957 -5.383 0.917 1.00 0.00 H new ATOM 580 N THR A 74 -4.215 -2.827 -1.497 1.00 0.00 N ATOM 581 CA THR A 74 -5.350 -2.326 -2.266 1.00 0.00 C ATOM 582 C THR A 74 -4.945 -1.994 -3.708 1.00 0.00 C ATOM 583 O THR A 74 -5.745 -2.142 -4.632 1.00 0.00 O ATOM 584 CB THR A 74 -5.947 -1.092 -1.582 1.00 0.00 C ATOM 585 OG1 THR A 74 -6.350 -1.399 -0.258 1.00 0.00 O ATOM 586 CG2 THR A 74 -7.152 -0.528 -2.304 1.00 0.00 C ATOM 0 H THR A 74 -3.875 -2.182 -0.784 1.00 0.00 H new ATOM 0 HA THR A 74 -6.105 -3.112 -2.305 1.00 0.00 H new ATOM 0 HB THR A 74 -5.153 -0.345 -1.594 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.560 -1.453 0.320 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.524 0.344 -1.765 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.867 -0.236 -3.315 1.00 0.00 H new ATOM 0 HG23 THR A 74 -7.934 -1.285 -2.353 1.00 0.00 H new ATOM 594 N TYR A 75 -3.701 -1.549 -3.891 1.00 0.00 N ATOM 595 CA TYR A 75 -3.188 -1.202 -5.212 1.00 0.00 C ATOM 596 C TYR A 75 -3.084 -2.445 -6.101 1.00 0.00 C ATOM 597 O TYR A 75 -3.492 -2.422 -7.264 1.00 0.00 O ATOM 598 CB TYR A 75 -1.823 -0.516 -5.061 1.00 0.00 C ATOM 599 CG TYR A 75 -0.963 -0.532 -6.304 1.00 0.00 C ATOM 600 CD1 TYR A 75 -0.197 -1.643 -6.625 1.00 0.00 C ATOM 601 CD2 TYR A 75 -0.910 0.568 -7.147 1.00 0.00 C ATOM 602 CE1 TYR A 75 0.596 -1.660 -7.752 1.00 0.00 C ATOM 603 CE2 TYR A 75 -0.119 0.561 -8.277 1.00 0.00 C ATOM 604 CZ TYR A 75 0.633 -0.556 -8.577 1.00 0.00 C ATOM 605 OH TYR A 75 1.425 -0.569 -9.703 1.00 0.00 O ATOM 0 H TYR A 75 -3.029 -1.421 -3.135 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.880 -0.513 -5.696 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.984 0.520 -4.761 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.276 -1.001 -4.252 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.222 -2.509 -5.981 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.497 1.444 -6.915 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.185 -2.534 -7.988 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -0.089 1.426 -8.924 1.00 0.00 H new ATOM 0 HH TYR A 75 1.336 0.285 -10.175 1.00 0.00 H new ATOM 615 N LEU A 76 -2.533 -3.526 -5.545 1.00 0.00 N ATOM 616 CA LEU A 76 -2.370 -4.779 -6.283 1.00 0.00 C ATOM 617 C LEU A 76 -3.724 -5.375 -6.673 1.00 0.00 C ATOM 618 O LEU A 76 -3.919 -5.789 -7.817 1.00 0.00 O ATOM 619 CB LEU A 76 -1.575 -5.786 -5.446 1.00 0.00 C ATOM 620 CG LEU A 76 -1.158 -7.066 -6.179 1.00 0.00 C ATOM 621 CD1 LEU A 76 -0.299 -6.738 -7.393 1.00 0.00 C ATOM 622 CD2 LEU A 76 -0.417 -8.000 -5.232 1.00 0.00 C ATOM 0 H LEU A 76 -2.192 -3.558 -4.584 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.821 -4.560 -7.199 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.678 -5.293 -5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.173 -6.063 -4.578 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.058 -7.571 -6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.015 -7.661 -7.898 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.865 -6.108 -8.080 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.598 -6.209 -7.072 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.127 -8.905 -5.766 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.475 -7.501 -4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.068 -8.264 -4.398 1.00 0.00 H new ATOM 634 N LYS A 77 -4.656 -5.411 -5.718 1.00 0.00 N ATOM 635 CA LYS A 77 -5.993 -5.953 -5.970 1.00 0.00 C ATOM 636 C LYS A 77 -6.729 -5.133 -7.031 1.00 0.00 C ATOM 637 O LYS A 77 -7.504 -5.680 -7.817 1.00 0.00 O ATOM 638 CB LYS A 77 -6.812 -6.007 -4.675 1.00 0.00 C ATOM 639 CG LYS A 77 -7.055 -4.647 -4.040 1.00 0.00 C ATOM 640 CD LYS A 77 -7.963 -4.752 -2.826 1.00 0.00 C ATOM 641 CE LYS A 77 -8.960 -3.605 -2.769 1.00 0.00 C ATOM 642 NZ LYS A 77 -10.331 -4.074 -2.419 1.00 0.00 N ATOM 0 H LYS A 77 -4.510 -5.073 -4.767 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.874 -6.969 -6.347 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.773 -6.476 -4.885 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.296 -6.645 -3.957 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.102 -4.206 -3.746 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.503 -3.977 -4.774 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.500 -5.700 -2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.359 -4.755 -1.919 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.628 -2.873 -2.033 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -8.985 -3.098 -3.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.979 -3.261 -2.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.659 -4.754 -3.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.313 -4.535 -1.487 1.00 0.00 H new ATOM 656 N LYS A 78 -6.479 -3.821 -7.051 1.00 0.00 N ATOM 657 CA LYS A 78 -7.112 -2.931 -8.019 1.00 0.00 C ATOM 658 C LYS A 78 -6.693 -3.298 -9.443 1.00 0.00 C ATOM 659 O LYS A 78 -7.526 -3.349 -10.346 1.00 0.00 O ATOM 660 CB LYS A 78 -6.740 -1.474 -7.720 1.00 0.00 C ATOM 661 CG LYS A 78 -7.683 -0.455 -8.346 1.00 0.00 C ATOM 662 CD LYS A 78 -8.474 0.300 -7.288 1.00 0.00 C ATOM 663 CE LYS A 78 -9.905 -0.209 -7.189 1.00 0.00 C ATOM 664 NZ LYS A 78 -10.311 -0.463 -5.778 1.00 0.00 N ATOM 0 H LYS A 78 -5.842 -3.354 -6.406 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.193 -3.045 -7.936 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.727 -1.327 -6.640 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.728 -1.287 -8.079 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.110 0.252 -8.946 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.371 -0.962 -9.022 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.982 0.195 -6.321 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.481 1.363 -7.528 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.581 0.521 -7.635 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.003 -1.129 -7.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.292 -0.808 -5.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.683 -1.178 -5.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.242 0.420 -5.233 1.00 0.00 H new ATOM 678 N LEU A 79 -5.398 -3.564 -9.629 1.00 0.00 N ATOM 679 CA LEU A 79 -4.865 -3.939 -10.941 1.00 0.00 C ATOM 680 C LEU A 79 -5.473 -5.259 -11.421 1.00 0.00 C ATOM 681 O LEU A 79 -5.841 -5.390 -12.589 1.00 0.00 O ATOM 682 CB LEU A 79 -3.338 -4.060 -10.882 1.00 0.00 C ATOM 683 CG LEU A 79 -2.561 -2.843 -11.395 1.00 0.00 C ATOM 684 CD1 LEU A 79 -2.930 -1.594 -10.606 1.00 0.00 C ATOM 685 CD2 LEU A 79 -1.062 -3.100 -11.320 1.00 0.00 C ATOM 0 H LEU A 79 -4.699 -3.527 -8.887 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.134 -3.156 -11.650 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.045 -4.247 -9.849 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.037 -4.933 -11.462 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.833 -2.678 -12.438 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.366 -0.743 -10.988 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.997 -1.399 -10.711 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.691 -1.745 -9.553 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.524 -2.226 -11.688 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.777 -3.292 -10.286 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.810 -3.966 -11.933 1.00 0.00 H new ATOM 697 N ILE A 80 -5.580 -6.233 -10.514 1.00 0.00 N ATOM 698 CA ILE A 80 -6.152 -7.535 -10.855 1.00 0.00 C ATOM 699 C ILE A 80 -7.641 -7.407 -11.177 1.00 0.00 C ATOM 700 O ILE A 80 -8.133 -8.016 -12.129 1.00 0.00 O ATOM 701 CB ILE A 80 -5.968 -8.565 -9.714 1.00 0.00 C ATOM 702 CG1 ILE A 80 -4.498 -8.645 -9.281 1.00 0.00 C ATOM 703 CG2 ILE A 80 -6.465 -9.937 -10.153 1.00 0.00 C ATOM 704 CD1 ILE A 80 -4.312 -9.091 -7.845 1.00 0.00 C ATOM 0 H ILE A 80 -5.279 -6.145 -9.543 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.615 -7.892 -11.734 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.558 -8.235 -8.859 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.971 -9.337 -9.939 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.036 -7.667 -9.412 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.329 -10.650 -9.340 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.523 -9.876 -10.409 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.899 -10.267 -11.024 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.248 -9.124 -7.609 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.810 -8.387 -7.178 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.744 -10.083 -7.713 1.00 0.00 H new ATOM 716 N ALA A 81 -8.352 -6.611 -10.375 1.00 0.00 N ATOM 717 CA ALA A 81 -9.786 -6.400 -10.568 1.00 0.00 C ATOM 718 C ALA A 81 -10.079 -5.634 -11.860 1.00 0.00 C ATOM 719 O ALA A 81 -11.120 -5.845 -12.484 1.00 0.00 O ATOM 720 CB ALA A 81 -10.381 -5.670 -9.371 1.00 0.00 C ATOM 0 H ALA A 81 -7.956 -6.102 -9.585 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.254 -7.381 -10.654 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.449 -5.521 -9.530 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -10.228 -6.264 -8.470 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.893 -4.702 -9.255 1.00 0.00 H new ATOM 726 N THR A 82 -9.163 -4.750 -12.261 1.00 0.00 N ATOM 727 CA THR A 82 -9.344 -3.970 -13.484 1.00 0.00 C ATOM 728 C THR A 82 -9.013 -4.804 -14.719 1.00 0.00 C ATOM 729 O THR A 82 -9.908 -5.215 -15.459 1.00 0.00 O ATOM 730 CB THR A 82 -8.471 -2.707 -13.472 1.00 0.00 C ATOM 731 OG1 THR A 82 -7.147 -3.005 -13.063 1.00 0.00 O ATOM 732 CG2 THR A 82 -8.992 -1.614 -12.568 1.00 0.00 C ATOM 0 H THR A 82 -8.295 -4.558 -11.760 1.00 0.00 H new ATOM 0 HA THR A 82 -10.392 -3.673 -13.525 1.00 0.00 H new ATOM 0 HB THR A 82 -8.495 -2.345 -14.500 1.00 0.00 H new ATOM 0 HG1 THR A 82 -7.111 -3.059 -12.085 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.323 -0.755 -12.613 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.988 -1.315 -12.895 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.042 -1.982 -11.543 1.00 0.00 H new ATOM 740 N ASN A 83 -7.717 -5.034 -14.942 1.00 0.00 N ATOM 741 CA ASN A 83 -7.255 -5.803 -16.102 1.00 0.00 C ATOM 742 C ASN A 83 -5.767 -6.158 -15.997 1.00 0.00 C ATOM 743 O ASN A 83 -5.350 -7.226 -16.449 1.00 0.00 O ATOM 744 CB ASN A 83 -7.502 -5.029 -17.413 1.00 0.00 C ATOM 745 CG ASN A 83 -8.047 -3.623 -17.199 1.00 0.00 C ATOM 746 OD1 ASN A 83 -9.175 -3.319 -17.585 1.00 0.00 O ATOM 747 ND2 ASN A 83 -7.246 -2.758 -16.585 1.00 0.00 N ATOM 0 H ASN A 83 -6.968 -4.699 -14.335 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.831 -6.728 -16.113 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.567 -4.966 -17.969 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -8.203 -5.591 -18.030 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.560 -1.802 -16.418 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.317 -3.050 -16.280 1.00 0.00 H new ATOM 754 N ASN A 84 -4.966 -5.255 -15.416 1.00 0.00 N ATOM 755 CA ASN A 84 -3.526 -5.475 -15.271 1.00 0.00 C ATOM 756 C ASN A 84 -3.236 -6.685 -14.393 1.00 0.00 C ATOM 757 O ASN A 84 -3.238 -6.597 -13.163 1.00 0.00 O ATOM 758 CB ASN A 84 -2.848 -4.238 -14.686 1.00 0.00 C ATOM 759 CG ASN A 84 -2.520 -3.207 -15.747 1.00 0.00 C ATOM 760 OD1 ASN A 84 -1.361 -3.037 -16.126 1.00 0.00 O ATOM 761 ND2 ASN A 84 -3.542 -2.515 -16.234 1.00 0.00 N ATOM 0 H ASN A 84 -5.294 -4.366 -15.039 1.00 0.00 H new ATOM 0 HA ASN A 84 -3.122 -5.666 -16.265 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -3.499 -3.790 -13.936 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -1.932 -4.535 -14.176 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.383 -1.808 -16.952 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -4.486 -2.690 -15.890 1.00 0.00 H new ATOM 768 N VAL A 85 -2.982 -7.812 -15.043 1.00 0.00 N ATOM 769 CA VAL A 85 -2.682 -9.058 -14.344 1.00 0.00 C ATOM 770 C VAL A 85 -1.351 -9.652 -14.821 1.00 0.00 C ATOM 771 O VAL A 85 -1.169 -10.871 -14.829 1.00 0.00 O ATOM 772 CB VAL A 85 -3.813 -10.095 -14.537 1.00 0.00 C ATOM 773 CG1 VAL A 85 -3.646 -11.258 -13.571 1.00 0.00 C ATOM 774 CG2 VAL A 85 -5.183 -9.449 -14.362 1.00 0.00 C ATOM 0 H VAL A 85 -2.977 -7.891 -16.060 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.602 -8.821 -13.283 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.746 -10.479 -15.555 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.452 -11.976 -13.723 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.687 -11.745 -13.750 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.679 -10.888 -12.546 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.960 -10.200 -14.503 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.262 -9.029 -13.359 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.308 -8.655 -15.099 1.00 0.00 H new ATOM 784 N THR A 86 -0.418 -8.781 -15.209 1.00 0.00 N ATOM 785 CA THR A 86 0.896 -9.219 -15.676 1.00 0.00 C ATOM 786 C THR A 86 2.014 -8.536 -14.877 1.00 0.00 C ATOM 787 O THR A 86 3.116 -8.327 -15.389 1.00 0.00 O ATOM 788 CB THR A 86 1.057 -8.926 -17.177 1.00 0.00 C ATOM 789 OG1 THR A 86 1.201 -7.534 -17.416 1.00 0.00 O ATOM 790 CG2 THR A 86 -0.105 -9.416 -18.017 1.00 0.00 C ATOM 0 H THR A 86 -0.549 -7.769 -15.209 1.00 0.00 H new ATOM 0 HA THR A 86 0.972 -10.295 -15.520 1.00 0.00 H new ATOM 0 HB THR A 86 1.954 -9.470 -17.472 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.303 -7.376 -18.378 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.076 -9.175 -19.065 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.205 -10.496 -17.905 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.023 -8.930 -17.687 1.00 0.00 H new ATOM 798 N HIS A 87 1.723 -8.188 -13.619 1.00 0.00 N ATOM 799 CA HIS A 87 2.700 -7.525 -12.754 1.00 0.00 C ATOM 800 C HIS A 87 2.640 -8.082 -11.329 1.00 0.00 C ATOM 801 O HIS A 87 1.565 -8.429 -10.836 1.00 0.00 O ATOM 802 CB HIS A 87 2.444 -6.012 -12.740 1.00 0.00 C ATOM 803 CG HIS A 87 3.630 -5.195 -12.323 1.00 0.00 C ATOM 804 ND1 HIS A 87 4.371 -4.435 -13.205 1.00 0.00 N ATOM 805 CD2 HIS A 87 4.200 -5.016 -11.107 1.00 0.00 C ATOM 806 CE1 HIS A 87 5.342 -3.824 -12.549 1.00 0.00 C ATOM 807 NE2 HIS A 87 5.260 -4.160 -11.275 1.00 0.00 N ATOM 0 H HIS A 87 0.818 -8.355 -13.179 1.00 0.00 H new ATOM 0 HA HIS A 87 3.696 -7.718 -13.152 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.132 -5.698 -13.736 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.615 -5.801 -12.065 1.00 0.00 H new ATOM 0 HD1 HIS A 87 4.196 -4.357 -14.207 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.880 -5.464 -10.178 1.00 0.00 H new ATOM 0 HE1 HIS A 87 6.078 -3.162 -12.982 1.00 0.00 H new ATOM 816 N LYS A 88 3.802 -8.160 -10.673 1.00 0.00 N ATOM 817 CA LYS A 88 3.890 -8.668 -9.302 1.00 0.00 C ATOM 818 C LYS A 88 4.635 -7.680 -8.403 1.00 0.00 C ATOM 819 O LYS A 88 5.420 -6.863 -8.888 1.00 0.00 O ATOM 820 CB LYS A 88 4.598 -10.028 -9.279 1.00 0.00 C ATOM 821 CG LYS A 88 3.668 -11.208 -9.517 1.00 0.00 C ATOM 822 CD LYS A 88 3.772 -11.720 -10.945 1.00 0.00 C ATOM 823 CE LYS A 88 2.787 -12.850 -11.210 1.00 0.00 C ATOM 824 NZ LYS A 88 2.311 -12.857 -12.623 1.00 0.00 N ATOM 0 H LYS A 88 4.697 -7.877 -11.072 1.00 0.00 H new ATOM 0 HA LYS A 88 2.876 -8.789 -8.922 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.379 -10.034 -10.039 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.091 -10.154 -8.315 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.913 -12.012 -8.822 1.00 0.00 H new ATOM 0 HG3 LYS A 88 2.640 -10.910 -9.310 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.583 -10.902 -11.640 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.787 -12.070 -11.133 1.00 0.00 H new ATOM 0 HE2 LYS A 88 3.261 -13.805 -10.983 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.933 -12.751 -10.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.643 -13.642 -12.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.836 -11.956 -12.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 3.123 -12.978 -13.262 1.00 0.00 H new ATOM 838 N ILE A 89 4.388 -7.759 -7.093 1.00 0.00 N ATOM 839 CA ILE A 89 5.041 -6.865 -6.138 1.00 0.00 C ATOM 840 C ILE A 89 6.156 -7.577 -5.375 1.00 0.00 C ATOM 841 O ILE A 89 5.938 -8.624 -4.762 1.00 0.00 O ATOM 842 CB ILE A 89 4.040 -6.269 -5.123 1.00 0.00 C ATOM 843 CG1 ILE A 89 2.814 -5.696 -5.845 1.00 0.00 C ATOM 844 CG2 ILE A 89 4.719 -5.191 -4.283 1.00 0.00 C ATOM 845 CD1 ILE A 89 1.786 -5.087 -4.914 1.00 0.00 C ATOM 0 H ILE A 89 3.744 -8.429 -6.673 1.00 0.00 H new ATOM 0 HA ILE A 89 5.468 -6.054 -6.728 1.00 0.00 H new ATOM 0 HB ILE A 89 3.703 -7.066 -4.460 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.144 -4.937 -6.554 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.341 -6.489 -6.424 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.003 -4.779 -3.572 1.00 0.00 H new ATOM 0 HG22 ILE A 89 5.559 -5.627 -3.741 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.081 -4.396 -4.935 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.949 -4.703 -5.497 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.427 -5.848 -4.221 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.241 -4.271 -4.353 1.00 0.00 H new ATOM 857 N THR A 90 7.349 -6.987 -5.414 1.00 0.00 N ATOM 858 CA THR A 90 8.518 -7.533 -4.727 1.00 0.00 C ATOM 859 C THR A 90 9.044 -6.529 -3.704 1.00 0.00 C ATOM 860 O THR A 90 8.487 -5.441 -3.558 1.00 0.00 O ATOM 861 CB THR A 90 9.615 -7.878 -5.742 1.00 0.00 C ATOM 862 OG1 THR A 90 10.253 -6.703 -6.214 1.00 0.00 O ATOM 863 CG2 THR A 90 9.099 -8.631 -6.950 1.00 0.00 C ATOM 0 H THR A 90 7.532 -6.121 -5.920 1.00 0.00 H new ATOM 0 HA THR A 90 8.224 -8.444 -4.205 1.00 0.00 H new ATOM 0 HB THR A 90 10.313 -8.518 -5.202 1.00 0.00 H new ATOM 0 HG1 THR A 90 10.950 -6.946 -6.859 1.00 0.00 H new ATOM 0 HG21 THR A 90 9.926 -8.843 -7.627 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.644 -9.568 -6.628 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.354 -8.025 -7.466 1.00 0.00 H new ATOM 871 N GLU A 91 10.120 -6.888 -3.003 1.00 0.00 N ATOM 872 CA GLU A 91 10.712 -5.994 -2.005 1.00 0.00 C ATOM 873 C GLU A 91 11.067 -4.644 -2.631 1.00 0.00 C ATOM 874 O GLU A 91 10.864 -3.595 -2.020 1.00 0.00 O ATOM 875 CB GLU A 91 11.960 -6.626 -1.378 1.00 0.00 C ATOM 876 CG GLU A 91 11.804 -6.929 0.104 1.00 0.00 C ATOM 877 CD GLU A 91 13.132 -7.024 0.830 1.00 0.00 C ATOM 878 OE1 GLU A 91 13.810 -5.984 0.972 1.00 0.00 O ATOM 879 OE2 GLU A 91 13.492 -8.139 1.262 1.00 0.00 O ATOM 0 H GLU A 91 10.597 -7.784 -3.106 1.00 0.00 H new ATOM 0 HA GLU A 91 9.973 -5.833 -1.220 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.195 -7.549 -1.907 1.00 0.00 H new ATOM 0 HB3 GLU A 91 12.807 -5.954 -1.517 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.197 -6.151 0.567 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.263 -7.868 0.223 1.00 0.00 H new ATOM 886 N ALA A 92 11.589 -4.681 -3.857 1.00 0.00 N ATOM 887 CA ALA A 92 11.961 -3.461 -4.571 1.00 0.00 C ATOM 888 C ALA A 92 10.725 -2.664 -4.992 1.00 0.00 C ATOM 889 O ALA A 92 10.699 -1.438 -4.875 1.00 0.00 O ATOM 890 CB ALA A 92 12.814 -3.798 -5.786 1.00 0.00 C ATOM 0 H ALA A 92 11.763 -5.542 -4.375 1.00 0.00 H new ATOM 0 HA ALA A 92 12.544 -2.840 -3.892 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.083 -2.880 -6.308 1.00 0.00 H new ATOM 0 HB2 ALA A 92 13.720 -4.311 -5.463 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.250 -4.445 -6.458 1.00 0.00 H new ATOM 896 N GLU A 93 9.709 -3.370 -5.490 1.00 0.00 N ATOM 897 CA GLU A 93 8.473 -2.731 -5.941 1.00 0.00 C ATOM 898 C GLU A 93 7.657 -2.187 -4.769 1.00 0.00 C ATOM 899 O GLU A 93 7.082 -1.103 -4.864 1.00 0.00 O ATOM 900 CB GLU A 93 7.624 -3.714 -6.753 1.00 0.00 C ATOM 901 CG GLU A 93 7.185 -3.167 -8.104 1.00 0.00 C ATOM 902 CD GLU A 93 5.675 -3.096 -8.259 1.00 0.00 C ATOM 903 OE1 GLU A 93 4.986 -4.054 -7.851 1.00 0.00 O ATOM 904 OE2 GLU A 93 5.183 -2.085 -8.799 1.00 0.00 O ATOM 0 H GLU A 93 9.718 -4.385 -5.591 1.00 0.00 H new ATOM 0 HA GLU A 93 8.756 -1.891 -6.575 1.00 0.00 H new ATOM 0 HB2 GLU A 93 8.193 -4.630 -6.909 1.00 0.00 H new ATOM 0 HB3 GLU A 93 6.740 -3.982 -6.174 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.605 -2.170 -8.239 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.596 -3.796 -8.894 1.00 0.00 H new ATOM 911 N ILE A 94 7.602 -2.940 -3.669 1.00 0.00 N ATOM 912 CA ILE A 94 6.842 -2.513 -2.497 1.00 0.00 C ATOM 913 C ILE A 94 7.404 -1.218 -1.912 1.00 0.00 C ATOM 914 O ILE A 94 6.643 -0.357 -1.478 1.00 0.00 O ATOM 915 CB ILE A 94 6.794 -3.611 -1.404 1.00 0.00 C ATOM 916 CG1 ILE A 94 5.802 -3.220 -0.298 1.00 0.00 C ATOM 917 CG2 ILE A 94 8.180 -3.888 -0.832 1.00 0.00 C ATOM 918 CD1 ILE A 94 6.418 -2.453 0.856 1.00 0.00 C ATOM 0 H ILE A 94 8.071 -3.840 -3.567 1.00 0.00 H new ATOM 0 HA ILE A 94 5.822 -2.331 -2.837 1.00 0.00 H new ATOM 0 HB ILE A 94 6.446 -4.535 -1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 94 5.008 -2.616 -0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 94 5.336 -4.125 0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 94 8.110 -4.663 -0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 94 8.843 -4.223 -1.630 1.00 0.00 H new ATOM 0 HG23 ILE A 94 8.579 -2.976 -0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 94 5.647 -2.218 1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 94 7.192 -3.061 1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 94 6.859 -1.528 0.484 1.00 0.00 H new ATOM 930 N VAL A 95 8.730 -1.072 -1.918 1.00 0.00 N ATOM 931 CA VAL A 95 9.362 0.140 -1.397 1.00 0.00 C ATOM 932 C VAL A 95 8.998 1.349 -2.259 1.00 0.00 C ATOM 933 O VAL A 95 8.693 2.421 -1.737 1.00 0.00 O ATOM 934 CB VAL A 95 10.901 0.008 -1.331 1.00 0.00 C ATOM 935 CG1 VAL A 95 11.528 1.274 -0.762 1.00 0.00 C ATOM 936 CG2 VAL A 95 11.304 -1.205 -0.506 1.00 0.00 C ATOM 0 H VAL A 95 9.382 -1.771 -2.274 1.00 0.00 H new ATOM 0 HA VAL A 95 8.986 0.282 -0.384 1.00 0.00 H new ATOM 0 HB VAL A 95 11.272 -0.131 -2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.611 1.159 -0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 95 11.275 2.123 -1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 95 11.147 1.448 0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 95 12.391 -1.278 -0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.917 -1.101 0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.893 -2.107 -0.960 1.00 0.00 H new ATOM 946 N SER A 96 9.023 1.167 -3.583 1.00 0.00 N ATOM 947 CA SER A 96 8.686 2.245 -4.512 1.00 0.00 C ATOM 948 C SER A 96 7.216 2.638 -4.381 1.00 0.00 C ATOM 949 O SER A 96 6.890 3.824 -4.312 1.00 0.00 O ATOM 950 CB SER A 96 8.990 1.829 -5.954 1.00 0.00 C ATOM 951 OG SER A 96 10.333 1.392 -6.087 1.00 0.00 O ATOM 0 H SER A 96 9.272 0.286 -4.032 1.00 0.00 H new ATOM 0 HA SER A 96 9.300 3.109 -4.258 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.313 1.030 -6.256 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.810 2.670 -6.624 1.00 0.00 H new ATOM 0 HG SER A 96 10.430 0.505 -5.682 1.00 0.00 H new ATOM 957 N ILE A 97 6.331 1.639 -4.331 1.00 0.00 N ATOM 958 CA ILE A 97 4.898 1.894 -4.191 1.00 0.00 C ATOM 959 C ILE A 97 4.596 2.473 -2.809 1.00 0.00 C ATOM 960 O ILE A 97 3.818 3.419 -2.678 1.00 0.00 O ATOM 961 CB ILE A 97 4.054 0.615 -4.409 1.00 0.00 C ATOM 962 CG1 ILE A 97 4.412 -0.049 -5.745 1.00 0.00 C ATOM 963 CG2 ILE A 97 2.568 0.947 -4.367 1.00 0.00 C ATOM 964 CD1 ILE A 97 4.185 -1.547 -5.759 1.00 0.00 C ATOM 0 H ILE A 97 6.581 0.652 -4.385 1.00 0.00 H new ATOM 0 HA ILE A 97 4.624 2.613 -4.963 1.00 0.00 H new ATOM 0 HB ILE A 97 4.280 -0.085 -3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.819 0.407 -6.538 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.459 0.153 -5.973 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.987 0.038 -4.522 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.318 1.376 -3.397 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.333 1.665 -5.152 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.460 -1.947 -6.735 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.798 -2.015 -4.989 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.134 -1.758 -5.563 1.00 0.00 H new ATOM 976 N LEU A 98 5.233 1.905 -1.785 1.00 0.00 N ATOM 977 CA LEU A 98 5.059 2.363 -0.408 1.00 0.00 C ATOM 978 C LEU A 98 5.537 3.810 -0.257 1.00 0.00 C ATOM 979 O LEU A 98 4.878 4.625 0.391 1.00 0.00 O ATOM 980 CB LEU A 98 5.833 1.446 0.547 1.00 0.00 C ATOM 981 CG LEU A 98 5.640 1.728 2.037 1.00 0.00 C ATOM 982 CD1 LEU A 98 4.462 0.932 2.582 1.00 0.00 C ATOM 983 CD2 LEU A 98 6.911 1.403 2.810 1.00 0.00 C ATOM 0 H LEU A 98 5.878 1.122 -1.885 1.00 0.00 H new ATOM 0 HA LEU A 98 3.999 2.325 -0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.539 0.415 0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.895 1.524 0.316 1.00 0.00 H new ATOM 0 HG LEU A 98 5.424 2.789 2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.339 1.145 3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.554 1.214 2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.648 -0.133 2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.756 1.610 3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.158 0.349 2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.731 2.017 2.437 1.00 0.00 H new ATOM 995 N ASN A 99 6.683 4.119 -0.870 1.00 0.00 N ATOM 996 CA ASN A 99 7.252 5.467 -0.818 1.00 0.00 C ATOM 997 C ASN A 99 6.328 6.476 -1.498 1.00 0.00 C ATOM 998 O ASN A 99 6.203 7.616 -1.049 1.00 0.00 O ATOM 999 CB ASN A 99 8.632 5.493 -1.485 1.00 0.00 C ATOM 1000 CG ASN A 99 9.765 5.424 -0.476 1.00 0.00 C ATOM 1001 OD1 ASN A 99 9.775 6.157 0.512 1.00 0.00 O ATOM 1002 ND2 ASN A 99 10.729 4.542 -0.721 1.00 0.00 N ATOM 0 H ASN A 99 7.235 3.452 -1.409 1.00 0.00 H new ATOM 0 HA ASN A 99 7.359 5.746 0.230 1.00 0.00 H new ATOM 0 HB2 ASN A 99 8.714 4.655 -2.177 1.00 0.00 H new ATOM 0 HB3 ASN A 99 8.730 6.404 -2.075 1.00 0.00 H new ATOM 0 HD21 ASN A 99 11.516 4.454 -0.078 1.00 0.00 H new ATOM 0 HD22 ASN A 99 10.682 3.953 -1.552 1.00 0.00 H new ATOM 1009 N GLY A 100 5.665 6.040 -2.571 1.00 0.00 N ATOM 1010 CA GLY A 100 4.745 6.907 -3.282 1.00 0.00 C ATOM 1011 C GLY A 100 3.458 7.103 -2.509 1.00 0.00 C ATOM 1012 O GLY A 100 2.898 8.199 -2.486 1.00 0.00 O ATOM 0 H GLY A 100 5.751 5.100 -2.958 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.216 7.874 -3.457 1.00 0.00 H new ATOM 0 HA3 GLY A 100 4.522 6.479 -4.260 1.00 0.00 H new ATOM 1016 N ILE A 101 3.007 6.031 -1.859 1.00 0.00 N ATOM 1017 CA ILE A 101 1.793 6.062 -1.052 1.00 0.00 C ATOM 1018 C ILE A 101 1.873 7.171 0.000 1.00 0.00 C ATOM 1019 O ILE A 101 0.896 7.884 0.240 1.00 0.00 O ATOM 1020 CB ILE A 101 1.561 4.693 -0.368 1.00 0.00 C ATOM 1021 CG1 ILE A 101 0.923 3.714 -1.358 1.00 0.00 C ATOM 1022 CG2 ILE A 101 0.700 4.836 0.878 1.00 0.00 C ATOM 1023 CD1 ILE A 101 1.050 2.262 -0.950 1.00 0.00 C ATOM 0 H ILE A 101 3.471 5.123 -1.878 1.00 0.00 H new ATOM 0 HA ILE A 101 0.951 6.270 -1.712 1.00 0.00 H new ATOM 0 HB ILE A 101 2.528 4.299 -0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -0.133 3.960 -1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.385 3.848 -2.336 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.556 3.857 1.335 1.00 0.00 H new ATOM 0 HG22 ILE A 101 1.195 5.498 1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.268 5.255 0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 101 0.575 1.630 -1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 101 2.104 1.998 -0.869 1.00 0.00 H new ATOM 0 HD13 ILE A 101 0.563 2.111 0.013 1.00 0.00 H new ATOM 1035 N ALA A 102 3.050 7.318 0.611 1.00 0.00 N ATOM 1036 CA ALA A 102 3.271 8.346 1.624 1.00 0.00 C ATOM 1037 C ALA A 102 3.140 9.743 1.020 1.00 0.00 C ATOM 1038 O ALA A 102 2.556 10.638 1.632 1.00 0.00 O ATOM 1039 CB ALA A 102 4.640 8.176 2.265 1.00 0.00 C ATOM 0 H ALA A 102 3.865 6.736 0.420 1.00 0.00 H new ATOM 0 HA ALA A 102 2.507 8.232 2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.788 8.950 3.018 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.702 7.195 2.737 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.413 8.260 1.501 1.00 0.00 H new ATOM 1045 N LYS A 103 3.687 9.918 -0.185 1.00 0.00 N ATOM 1046 CA LYS A 103 3.629 11.205 -0.876 1.00 0.00 C ATOM 1047 C LYS A 103 2.186 11.582 -1.219 1.00 0.00 C ATOM 1048 O LYS A 103 1.822 12.756 -1.176 1.00 0.00 O ATOM 1049 CB LYS A 103 4.481 11.173 -2.149 1.00 0.00 C ATOM 1050 CG LYS A 103 5.588 12.217 -2.165 1.00 0.00 C ATOM 1051 CD LYS A 103 6.391 12.167 -3.457 1.00 0.00 C ATOM 1052 CE LYS A 103 7.279 10.933 -3.516 1.00 0.00 C ATOM 1053 NZ LYS A 103 8.685 11.234 -3.123 1.00 0.00 N ATOM 0 H LYS A 103 4.174 9.185 -0.701 1.00 0.00 H new ATOM 0 HA LYS A 103 4.030 11.962 -0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 103 4.925 10.183 -2.255 1.00 0.00 H new ATOM 0 HB3 LYS A 103 3.835 11.327 -3.013 1.00 0.00 H new ATOM 0 HG2 LYS A 103 5.154 13.210 -2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 103 6.253 12.055 -1.317 1.00 0.00 H new ATOM 0 HD2 LYS A 103 5.711 12.168 -4.309 1.00 0.00 H new ATOM 0 HD3 LYS A 103 7.006 13.063 -3.539 1.00 0.00 H new ATOM 0 HE2 LYS A 103 6.875 10.165 -2.856 1.00 0.00 H new ATOM 0 HE3 LYS A 103 7.265 10.525 -4.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 9.254 10.365 -3.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 9.080 11.948 -3.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 8.703 11.599 -2.149 1.00 0.00 H new ATOM 1067 N GLN A 104 1.368 10.579 -1.554 1.00 0.00 N ATOM 1068 CA GLN A 104 -0.036 10.812 -1.894 1.00 0.00 C ATOM 1069 C GLN A 104 -0.781 11.447 -0.719 1.00 0.00 C ATOM 1070 O GLN A 104 -1.490 12.440 -0.888 1.00 0.00 O ATOM 1071 CB GLN A 104 -0.715 9.499 -2.296 1.00 0.00 C ATOM 1072 CG GLN A 104 -0.506 9.122 -3.755 1.00 0.00 C ATOM 1073 CD GLN A 104 -1.808 9.022 -4.529 1.00 0.00 C ATOM 1074 OE1 GLN A 104 -2.397 7.947 -4.638 1.00 0.00 O ATOM 1075 NE2 GLN A 104 -2.263 10.146 -5.073 1.00 0.00 N ATOM 0 H GLN A 104 1.655 9.601 -1.596 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.069 11.500 -2.739 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -0.335 8.696 -1.665 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -1.784 9.579 -2.101 1.00 0.00 H new ATOM 0 HG2 GLN A 104 0.137 9.864 -4.229 1.00 0.00 H new ATOM 0 HG3 GLN A 104 0.017 8.167 -3.807 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -1.742 11.016 -4.958 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -3.133 10.139 -5.606 1.00 0.00 H new ATOM 1084 N GLN A 105 -0.607 10.873 0.472 1.00 0.00 N ATOM 1085 CA GLN A 105 -1.253 11.390 1.677 1.00 0.00 C ATOM 1086 C GLN A 105 -0.489 12.595 2.230 1.00 0.00 C ATOM 1087 O GLN A 105 0.596 12.925 1.746 1.00 0.00 O ATOM 1088 CB GLN A 105 -1.343 10.290 2.741 1.00 0.00 C ATOM 1089 CG GLN A 105 -2.742 9.717 2.909 1.00 0.00 C ATOM 1090 CD GLN A 105 -3.112 9.490 4.364 1.00 0.00 C ATOM 1091 OE1 GLN A 105 -4.048 10.101 4.878 1.00 0.00 O ATOM 1092 NE2 GLN A 105 -2.378 8.609 5.036 1.00 0.00 N ATOM 0 H GLN A 105 -0.024 10.050 0.627 1.00 0.00 H new ATOM 0 HA GLN A 105 -2.260 11.714 1.413 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -0.659 9.484 2.477 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -1.007 10.692 3.697 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -3.465 10.396 2.456 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.810 8.772 2.369 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.610 8.124 4.571 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -2.582 8.418 6.017 1.00 0.00 H new ATOM 1101 N ASN A 106 -1.064 13.246 3.249 1.00 0.00 N ATOM 1102 CA ASN A 106 -0.445 14.416 3.883 1.00 0.00 C ATOM 1103 C ASN A 106 -0.429 15.619 2.936 1.00 0.00 C ATOM 1104 O ASN A 106 0.317 15.641 1.955 1.00 0.00 O ATOM 1105 CB ASN A 106 0.984 14.089 4.342 1.00 0.00 C ATOM 1106 CG ASN A 106 1.048 13.601 5.779 1.00 0.00 C ATOM 1107 OD1 ASN A 106 0.125 12.949 6.269 1.00 0.00 O ATOM 1108 ND2 ASN A 106 2.144 13.912 6.465 1.00 0.00 N ATOM 0 H ASN A 106 -1.962 12.980 3.653 1.00 0.00 H new ATOM 0 HA ASN A 106 -1.046 14.676 4.754 1.00 0.00 H new ATOM 0 HB2 ASN A 106 1.405 13.327 3.686 1.00 0.00 H new ATOM 0 HB3 ASN A 106 1.606 14.978 4.238 1.00 0.00 H new ATOM 0 HD21 ASN A 106 2.243 13.609 7.434 1.00 0.00 H new ATOM 0 HD22 ASN A 106 2.886 14.454 6.022 1.00 0.00 H new ATOM 1115 N SER A 107 -1.256 16.622 3.239 1.00 0.00 N ATOM 1116 CA SER A 107 -1.336 17.830 2.418 1.00 0.00 C ATOM 1117 C SER A 107 -1.515 19.076 3.289 1.00 0.00 C ATOM 1118 O SER A 107 -2.290 19.067 4.247 1.00 0.00 O ATOM 1119 CB SER A 107 -2.492 17.718 1.421 1.00 0.00 C ATOM 1120 OG SER A 107 -2.195 18.405 0.218 1.00 0.00 O ATOM 0 H SER A 107 -1.879 16.621 4.047 1.00 0.00 H new ATOM 0 HA SER A 107 -0.399 17.927 1.869 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.690 16.668 1.205 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.399 18.129 1.864 1.00 0.00 H new ATOM 0 HG SER A 107 -2.948 18.317 -0.403 1.00 0.00 H new ATOM 1126 N GLN A 108 -0.793 20.147 2.948 1.00 0.00 N ATOM 1127 CA GLN A 108 -0.871 21.402 3.698 1.00 0.00 C ATOM 1128 C GLN A 108 -2.002 22.285 3.172 1.00 0.00 C ATOM 1129 O GLN A 108 -1.886 22.885 2.102 1.00 0.00 O ATOM 1130 CB GLN A 108 0.460 22.157 3.618 1.00 0.00 C ATOM 1131 CG GLN A 108 0.714 23.066 4.811 1.00 0.00 C ATOM 1132 CD GLN A 108 1.276 24.418 4.410 1.00 0.00 C ATOM 1133 OE1 GLN A 108 2.345 24.818 4.870 1.00 0.00 O ATOM 1134 NE2 GLN A 108 0.555 25.132 3.551 1.00 0.00 N ATOM 0 H GLN A 108 -0.148 20.169 2.158 1.00 0.00 H new ATOM 0 HA GLN A 108 -1.079 21.157 4.740 1.00 0.00 H new ATOM 0 HB2 GLN A 108 1.274 21.436 3.541 1.00 0.00 H new ATOM 0 HB3 GLN A 108 0.476 22.754 2.706 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.219 23.212 5.356 1.00 0.00 H new ATOM 0 HG3 GLN A 108 1.409 22.577 5.494 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -0.326 24.762 3.194 1.00 0.00 H new ATOM 0 HE22 GLN A 108 0.883 26.049 3.249 1.00 0.00 H new ATOM 1143 N ASN A 109 -3.093 22.361 3.932 1.00 0.00 N ATOM 1144 CA ASN A 109 -4.248 23.173 3.543 1.00 0.00 C ATOM 1145 C ASN A 109 -4.396 24.395 4.452 1.00 0.00 C ATOM 1146 O ASN A 109 -4.563 25.514 3.969 1.00 0.00 O ATOM 1147 CB ASN A 109 -5.533 22.335 3.570 1.00 0.00 C ATOM 1148 CG ASN A 109 -5.692 21.537 4.852 1.00 0.00 C ATOM 1149 OD1 ASN A 109 -5.057 20.498 5.031 1.00 0.00 O ATOM 1150 ND2 ASN A 109 -6.539 22.022 5.753 1.00 0.00 N ATOM 0 H ASN A 109 -3.203 21.871 4.820 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.079 23.524 2.525 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -6.393 22.994 3.449 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.533 21.652 2.721 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -6.683 21.529 6.634 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -7.045 22.887 5.563 1.00 0.00 H new ATOM 1157 N ASN A 110 -4.331 24.167 5.769 1.00 0.00 N ATOM 1158 CA ASN A 110 -4.453 25.238 6.765 1.00 0.00 C ATOM 1159 C ASN A 110 -5.874 25.802 6.814 1.00 0.00 C ATOM 1160 O ASN A 110 -6.399 26.278 5.806 1.00 0.00 O ATOM 1161 CB ASN A 110 -3.457 26.372 6.483 1.00 0.00 C ATOM 1162 CG ASN A 110 -2.047 25.873 6.219 1.00 0.00 C ATOM 1163 OD1 ASN A 110 -1.386 26.322 5.284 1.00 0.00 O ATOM 1164 ND2 ASN A 110 -1.579 24.941 7.042 1.00 0.00 N ATOM 0 H ASN A 110 -4.193 23.240 6.173 1.00 0.00 H new ATOM 0 HA ASN A 110 -4.223 24.797 7.735 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -3.801 26.944 5.621 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -3.442 27.054 7.333 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -0.638 24.570 6.910 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -2.161 24.596 7.805 1.00 0.00 H new ATOM 1171 N SER A 111 -6.486 25.752 7.998 1.00 0.00 N ATOM 1172 CA SER A 111 -7.844 26.265 8.189 1.00 0.00 C ATOM 1173 C SER A 111 -7.868 27.381 9.234 1.00 0.00 C ATOM 1174 O SER A 111 -8.436 28.448 8.997 1.00 0.00 O ATOM 1175 CB SER A 111 -8.790 25.134 8.606 1.00 0.00 C ATOM 1176 OG SER A 111 -8.775 24.079 7.659 1.00 0.00 O ATOM 0 H SER A 111 -6.063 25.361 8.840 1.00 0.00 H new ATOM 0 HA SER A 111 -8.183 26.678 7.239 1.00 0.00 H new ATOM 0 HB2 SER A 111 -8.497 24.753 9.584 1.00 0.00 H new ATOM 0 HB3 SER A 111 -9.804 25.522 8.706 1.00 0.00 H new ATOM 0 HG SER A 111 -9.386 23.370 7.950 1.00 0.00 H new ATOM 1182 N LYS A 112 -7.251 27.130 10.390 1.00 0.00 N ATOM 1183 CA LYS A 112 -7.207 28.118 11.468 1.00 0.00 C ATOM 1184 C LYS A 112 -5.820 28.756 11.591 1.00 0.00 C ATOM 1185 O LYS A 112 -5.698 29.907 12.014 1.00 0.00 O ATOM 1186 CB LYS A 112 -7.606 27.471 12.797 1.00 0.00 C ATOM 1187 CG LYS A 112 -9.111 27.404 13.012 1.00 0.00 C ATOM 1188 CD LYS A 112 -9.460 26.774 14.353 1.00 0.00 C ATOM 1189 CE LYS A 112 -10.914 27.028 14.732 1.00 0.00 C ATOM 1190 NZ LYS A 112 -11.150 28.441 15.146 1.00 0.00 N ATOM 0 H LYS A 112 -6.776 26.253 10.603 1.00 0.00 H new ATOM 0 HA LYS A 112 -7.919 28.907 11.223 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.196 26.462 12.838 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.155 28.032 13.615 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -9.531 28.409 12.961 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -9.568 26.827 12.208 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -9.277 25.700 14.310 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -8.806 27.178 15.126 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -11.556 26.788 13.884 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -11.197 26.361 15.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -12.096 28.525 15.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -10.432 28.723 15.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -11.086 29.062 14.314 1.00 0.00 H new ATOM 1204 N ILE A 113 -4.779 28.005 11.220 1.00 0.00 N ATOM 1205 CA ILE A 113 -3.401 28.499 11.291 1.00 0.00 C ATOM 1206 C ILE A 113 -3.214 29.780 10.468 1.00 0.00 C ATOM 1207 O ILE A 113 -2.356 30.606 10.786 1.00 0.00 O ATOM 1208 CB ILE A 113 -2.391 27.434 10.802 1.00 0.00 C ATOM 1209 CG1 ILE A 113 -2.669 26.082 11.470 1.00 0.00 C ATOM 1210 CG2 ILE A 113 -0.962 27.884 11.083 1.00 0.00 C ATOM 1211 CD1 ILE A 113 -3.250 25.046 10.529 1.00 0.00 C ATOM 0 H ILE A 113 -4.865 27.052 10.867 1.00 0.00 H new ATOM 0 HA ILE A 113 -3.208 28.721 12.341 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.510 27.317 9.725 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.740 25.697 11.891 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -3.358 26.232 12.301 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.265 27.123 10.732 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.767 28.822 10.563 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.831 28.030 12.155 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -3.420 24.116 11.072 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -4.196 25.409 10.127 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -2.553 24.866 9.711 1.00 0.00 H new ATOM 1223 N ILE A 114 -4.016 29.933 9.408 1.00 0.00 N ATOM 1224 CA ILE A 114 -3.943 31.104 8.531 1.00 0.00 C ATOM 1225 C ILE A 114 -3.916 32.419 9.321 1.00 0.00 C ATOM 1226 O ILE A 114 -2.880 33.083 9.384 1.00 0.00 O ATOM 1227 CB ILE A 114 -5.119 31.140 7.522 1.00 0.00 C ATOM 1228 CG1 ILE A 114 -6.379 30.485 8.105 1.00 0.00 C ATOM 1229 CG2 ILE A 114 -4.722 30.461 6.219 1.00 0.00 C ATOM 1230 CD1 ILE A 114 -7.654 31.234 7.783 1.00 0.00 C ATOM 0 H ILE A 114 -4.727 29.254 9.137 1.00 0.00 H new ATOM 0 HA ILE A 114 -3.006 31.008 7.983 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.351 32.185 7.318 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -6.459 29.467 7.724 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -6.273 30.413 9.187 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.559 30.495 5.521 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -3.867 30.979 5.785 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.456 29.423 6.416 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -8.503 30.714 8.227 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -7.595 32.244 8.188 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -7.784 31.284 6.702 1.00 0.00 H new ATOM 1242 N PHE A 115 -5.056 32.790 9.917 1.00 0.00 N ATOM 1243 CA PHE A 115 -5.165 34.025 10.697 1.00 0.00 C ATOM 1244 C PHE A 115 -4.656 35.234 9.900 1.00 0.00 C ATOM 1245 O PHE A 115 -3.782 35.973 10.359 1.00 0.00 O ATOM 1246 CB PHE A 115 -4.393 33.888 12.018 1.00 0.00 C ATOM 1247 CG PHE A 115 -4.890 34.797 13.113 1.00 0.00 C ATOM 1248 CD1 PHE A 115 -6.032 34.480 13.835 1.00 0.00 C ATOM 1249 CD2 PHE A 115 -4.212 35.967 13.424 1.00 0.00 C ATOM 1250 CE1 PHE A 115 -6.486 35.311 14.843 1.00 0.00 C ATOM 1251 CE2 PHE A 115 -4.663 36.800 14.430 1.00 0.00 C ATOM 1252 CZ PHE A 115 -5.801 36.472 15.140 1.00 0.00 C ATOM 0 H PHE A 115 -5.919 32.248 9.872 1.00 0.00 H new ATOM 0 HA PHE A 115 -6.219 34.193 10.919 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -4.457 32.855 12.360 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -3.339 34.098 11.835 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -6.573 33.573 13.607 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -3.321 36.230 12.873 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -7.376 35.052 15.397 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.125 37.708 14.661 1.00 0.00 H new ATOM 0 HZ PHE A 115 -6.154 37.123 15.926 1.00 0.00 H new ATOM 1262 N GLU A 116 -5.212 35.427 8.702 1.00 0.00 N ATOM 1263 CA GLU A 116 -4.817 36.541 7.843 1.00 0.00 C ATOM 1264 C GLU A 116 -6.048 37.269 7.300 1.00 0.00 C ATOM 1265 O GLU A 116 -6.320 38.393 7.770 1.00 0.00 O ATOM 1266 CB GLU A 116 -3.938 36.042 6.687 1.00 0.00 C ATOM 1267 CG GLU A 116 -2.807 36.995 6.324 1.00 0.00 C ATOM 1268 CD GLU A 116 -2.664 37.202 4.827 1.00 0.00 C ATOM 1269 OE1 GLU A 116 -2.395 36.213 4.111 1.00 0.00 O ATOM 1270 OE2 GLU A 116 -2.815 38.355 4.372 1.00 0.00 O ATOM 1271 OXT GLU A 116 -6.732 36.708 6.415 1.00 0.00 O ATOM 0 H GLU A 116 -5.936 34.827 8.307 1.00 0.00 H new ATOM 0 HA GLU A 116 -4.238 37.245 8.441 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -3.514 35.074 6.956 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.564 35.883 5.809 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.983 37.958 6.803 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -1.870 36.607 6.723 1.00 0.00 H new TER 1278 GLU A 116