USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 643 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 109 LYS NZ :NH3+ -168:sc= 2.03 (180deg=0.971) USER MOD Set 1.2: A 127 GLN : amide:sc= 2.08 K(o=4.1,f=-3.3) USER MOD Set 2.1: A 92 GLN : amide:sc= 0.55 K(o=1.2,f=-2.2) USER MOD Set 2.2: A 95 CYS SG : rot 82:sc= 0.671 USER MOD Set 3.1: A 77 SER OG : rot 170:sc= 0 USER MOD Set 3.2: A 115 ASN : amide:sc= 0.162 X(o=0.16,f=0.66) USER MOD Set 4.1: A 76 MET CE :methyl 164:sc= -1.33 (180deg=-1.64) USER MOD Set 4.2: A 84 LYS NZ :NH3+ -123:sc= 1.26 (180deg=0.0996) USER MOD Set 5.1: A 55 SER OG : rot 171:sc= 0.369 USER MOD Set 5.2: A 57 THR OG1 : rot -52:sc= 0.371 USER MOD Single : A 56 ASN : amide:sc= -0.377 X(o=-0.38,f=-0.0082) USER MOD Single : A 64 ASN : amide:sc= -0.821 K(o=-0.82,f=-4.3!) USER MOD Single : A 65 LYS NZ :NH3+ 176:sc= 1.26 (180deg=1.17) USER MOD Single : A 66 GLN : amide:sc= 0.947 K(o=0.95,f=-6.1!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0361 USER MOD Single : A 71 ASN : amide:sc= 0.989 K(o=0.99,f=-7.1!) USER MOD Single : A 74 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.35) USER MOD Single : A 79 HIS : no HE2:sc= -9.31! C(o=-9.3!,f=-7.1!) USER MOD Single : A 81 CYS SG : rot 65:sc= 0.38 USER MOD Single : A 83 MET CE :methyl -152:sc= -0.116 (180deg=-0.58) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 CYS SG : rot 109:sc= 0.372 USER MOD Single : A 103 HIS : no HD1:sc= 1.21 K(o=1.2,f=-10!) USER MOD Single : A 105 HIS : no HD1:sc= -8.87! C(o=-8.9!,f=-5!) USER MOD Single : A 106 LYS NZ :NH3+ 168:sc=-0.000683 (180deg=-0.141) USER MOD Single : A 108 LYS NZ :NH3+ 159:sc= -0.148 (180deg=-0.748) USER MOD Single : A 116 THR OG1 : rot -149:sc= -0.965 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 55 -13.028 7.465 2.350 1.00 0.00 N ATOM 2 CA SER A 55 -12.779 6.813 1.063 1.00 0.00 C ATOM 3 C SER A 55 -12.905 5.328 1.201 1.00 0.00 C ATOM 4 O SER A 55 -13.207 4.810 2.275 1.00 0.00 O ATOM 5 CB SER A 55 -11.353 7.125 0.570 1.00 0.00 C ATOM 6 OG SER A 55 -11.252 6.893 -0.831 1.00 0.00 O ATOM 0 HA SER A 55 -13.513 7.190 0.351 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.103 8.162 0.793 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.633 6.503 1.101 1.00 0.00 H new ATOM 0 HG SER A 55 -10.392 7.230 -1.157 1.00 0.00 H new ATOM 14 N ASN A 56 -12.675 4.617 0.085 1.00 0.00 N ATOM 15 CA ASN A 56 -12.587 3.187 0.121 1.00 0.00 C ATOM 16 C ASN A 56 -11.515 2.803 -0.853 1.00 0.00 C ATOM 17 O ASN A 56 -11.471 1.676 -1.351 1.00 0.00 O ATOM 18 CB ASN A 56 -13.907 2.469 -0.194 1.00 0.00 C ATOM 19 CG ASN A 56 -14.494 3.061 -1.470 1.00 0.00 C ATOM 20 OD1 ASN A 56 -15.369 3.926 -1.427 1.00 0.00 O ATOM 21 ND2 ASN A 56 -13.992 2.588 -2.639 1.00 0.00 N ATOM 0 H ASN A 56 -12.550 5.027 -0.840 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.350 2.871 1.137 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.735 1.400 -0.318 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.607 2.585 0.633 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -14.340 2.950 -3.527 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.267 1.870 -2.630 1.00 0.00 H new ATOM 28 N THR A 57 -10.628 3.775 -1.145 1.00 0.00 N ATOM 29 CA THR A 57 -9.626 3.592 -2.151 1.00 0.00 C ATOM 30 C THR A 57 -8.347 4.152 -1.604 1.00 0.00 C ATOM 31 O THR A 57 -8.355 4.938 -0.657 1.00 0.00 O ATOM 32 CB THR A 57 -9.955 4.331 -3.460 1.00 0.00 C ATOM 33 OG1 THR A 57 -9.972 5.739 -3.248 1.00 0.00 O ATOM 34 CG2 THR A 57 -11.339 3.993 -4.019 1.00 0.00 C ATOM 0 H THR A 57 -10.605 4.685 -0.685 1.00 0.00 H new ATOM 0 HA THR A 57 -9.560 2.530 -2.386 1.00 0.00 H new ATOM 0 HB THR A 57 -9.181 4.014 -4.159 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.554 5.948 -2.488 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.504 4.549 -4.942 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.397 2.924 -4.224 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.102 4.265 -3.290 1.00 0.00 H new ATOM 42 N ILE A 58 -7.213 3.750 -2.206 1.00 0.00 N ATOM 43 CA ILE A 58 -5.946 4.326 -1.854 1.00 0.00 C ATOM 44 C ILE A 58 -5.119 4.292 -3.095 1.00 0.00 C ATOM 45 O ILE A 58 -5.552 3.763 -4.116 1.00 0.00 O ATOM 46 CB ILE A 58 -5.187 3.563 -0.753 1.00 0.00 C ATOM 47 CG1 ILE A 58 -6.103 2.743 0.164 1.00 0.00 C ATOM 48 CG2 ILE A 58 -4.286 4.474 0.104 1.00 0.00 C ATOM 49 CD1 ILE A 58 -5.345 1.912 1.204 1.00 0.00 C ATOM 0 H ILE A 58 -7.170 3.033 -2.930 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.125 5.326 -1.460 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.552 2.870 -1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.786 3.418 0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.713 2.077 -0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.779 3.876 0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.545 4.956 -0.533 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.896 5.235 0.591 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.057 1.359 1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.682 1.212 0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.757 2.574 1.840 1.00 0.00 H new ATOM 61 N ARG A 59 -3.907 4.877 -3.057 1.00 0.00 N ATOM 62 CA ARG A 59 -3.053 4.791 -4.196 1.00 0.00 C ATOM 63 C ARG A 59 -1.825 4.083 -3.760 1.00 0.00 C ATOM 64 O ARG A 59 -1.546 3.997 -2.570 1.00 0.00 O ATOM 65 CB ARG A 59 -2.646 6.175 -4.679 1.00 0.00 C ATOM 66 CG ARG A 59 -3.735 6.877 -5.488 1.00 0.00 C ATOM 67 CD ARG A 59 -4.854 7.497 -4.639 1.00 0.00 C ATOM 68 NE ARG A 59 -4.436 8.883 -4.273 1.00 0.00 N ATOM 69 CZ ARG A 59 -5.180 9.620 -3.401 1.00 0.00 C ATOM 70 NH1 ARG A 59 -6.271 9.095 -2.809 1.00 0.00 N ATOM 71 NH2 ARG A 59 -4.817 10.888 -3.102 1.00 0.00 N ATOM 0 H ARG A 59 -3.529 5.394 -2.263 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.572 4.277 -5.005 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.388 6.792 -3.818 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.747 6.089 -5.290 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.275 7.661 -6.090 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.176 6.160 -6.181 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.791 7.515 -5.196 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.028 6.901 -3.743 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.588 9.281 -4.678 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.549 8.135 -3.012 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.819 9.658 -2.158 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.985 11.295 -3.529 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.375 11.438 -2.449 1.00 0.00 H new ATOM 85 N VAL A 60 -1.056 3.571 -4.735 1.00 0.00 N ATOM 86 CA VAL A 60 0.144 2.859 -4.407 1.00 0.00 C ATOM 87 C VAL A 60 1.157 3.207 -5.438 1.00 0.00 C ATOM 88 O VAL A 60 1.016 2.837 -6.599 1.00 0.00 O ATOM 89 CB VAL A 60 -0.005 1.333 -4.380 1.00 0.00 C ATOM 90 CG1 VAL A 60 1.144 0.626 -3.651 1.00 0.00 C ATOM 91 CG2 VAL A 60 -1.341 0.869 -3.795 1.00 0.00 C ATOM 0 H VAL A 60 -1.256 3.646 -5.732 1.00 0.00 H new ATOM 0 HA VAL A 60 0.427 3.154 -3.396 1.00 0.00 H new ATOM 0 HB VAL A 60 0.028 1.044 -5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.978 -0.451 -3.668 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.086 0.855 -4.148 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.186 0.970 -2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.384 -0.220 -3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.433 1.227 -2.770 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.159 1.269 -4.394 1.00 0.00 H new ATOM 101 N PHE A 61 2.226 3.891 -4.999 1.00 0.00 N ATOM 102 CA PHE A 61 3.288 4.265 -5.886 1.00 0.00 C ATOM 103 C PHE A 61 4.313 3.175 -5.803 1.00 0.00 C ATOM 104 O PHE A 61 4.516 2.579 -4.746 1.00 0.00 O ATOM 105 CB PHE A 61 3.929 5.597 -5.474 1.00 0.00 C ATOM 106 CG PHE A 61 3.042 6.704 -5.942 1.00 0.00 C ATOM 107 CD1 PHE A 61 1.728 6.828 -5.467 1.00 0.00 C ATOM 108 CD2 PHE A 61 3.515 7.694 -6.792 1.00 0.00 C ATOM 109 CE1 PHE A 61 0.915 7.864 -5.878 1.00 0.00 C ATOM 110 CE2 PHE A 61 2.723 8.780 -7.131 1.00 0.00 C ATOM 111 CZ PHE A 61 1.427 8.870 -6.667 1.00 0.00 C ATOM 0 H PHE A 61 2.358 4.186 -4.032 1.00 0.00 H new ATOM 0 HA PHE A 61 2.901 4.394 -6.897 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.053 5.641 -4.392 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.922 5.693 -5.913 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.346 6.100 -4.767 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.514 7.617 -7.195 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.123 7.886 -5.581 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.123 9.560 -7.762 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.817 9.725 -6.921 1.00 0.00 H new ATOM 121 N LEU A 62 4.956 2.829 -6.939 1.00 0.00 N ATOM 122 CA LEU A 62 5.662 1.582 -6.990 1.00 0.00 C ATOM 123 C LEU A 62 7.123 1.840 -6.746 1.00 0.00 C ATOM 124 O LEU A 62 7.599 2.976 -6.779 1.00 0.00 O ATOM 125 CB LEU A 62 5.497 0.871 -8.339 1.00 0.00 C ATOM 126 CG LEU A 62 4.398 -0.193 -8.344 1.00 0.00 C ATOM 127 CD1 LEU A 62 2.992 0.382 -8.163 1.00 0.00 C ATOM 128 CD2 LEU A 62 4.572 -1.204 -9.467 1.00 0.00 C ATOM 0 H LEU A 62 4.988 3.389 -7.791 1.00 0.00 H new ATOM 0 HA LEU A 62 5.243 0.931 -6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.275 1.613 -9.106 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.443 0.404 -8.612 1.00 0.00 H new ATOM 0 HG LEU A 62 4.524 -0.789 -7.440 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.263 -0.428 -8.176 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.934 0.907 -7.210 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.776 1.078 -8.974 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.766 -1.937 -9.425 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.545 -0.689 -10.427 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.530 -1.712 -9.354 1.00 0.00 H new ATOM 140 N PRO A 63 7.822 0.711 -6.648 1.00 0.00 N ATOM 141 CA PRO A 63 9.205 0.944 -6.286 1.00 0.00 C ATOM 142 C PRO A 63 9.923 1.201 -7.588 1.00 0.00 C ATOM 143 O PRO A 63 11.044 1.708 -7.596 1.00 0.00 O ATOM 144 CB PRO A 63 9.685 -0.372 -5.722 1.00 0.00 C ATOM 145 CG PRO A 63 8.438 -1.115 -5.256 1.00 0.00 C ATOM 146 CD PRO A 63 7.261 -0.441 -5.957 1.00 0.00 C ATOM 0 HA PRO A 63 9.358 1.763 -5.583 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.221 -0.947 -6.477 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.375 -0.212 -4.894 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.494 -2.172 -5.516 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.332 -1.058 -4.173 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.780 -1.123 -6.659 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.501 -0.135 -5.239 1.00 0.00 H new ATOM 154 N ASN A 64 9.300 0.854 -8.735 1.00 0.00 N ATOM 155 CA ASN A 64 9.895 1.163 -10.007 1.00 0.00 C ATOM 156 C ASN A 64 9.476 2.562 -10.373 1.00 0.00 C ATOM 157 O ASN A 64 9.767 3.038 -11.469 1.00 0.00 O ATOM 158 CB ASN A 64 9.547 0.183 -11.148 1.00 0.00 C ATOM 159 CG ASN A 64 8.079 -0.209 -11.029 1.00 0.00 C ATOM 160 OD1 ASN A 64 7.200 0.640 -10.887 1.00 0.00 O ATOM 161 ND2 ASN A 64 7.797 -1.537 -11.094 1.00 0.00 N ATOM 0 H ASN A 64 8.404 0.370 -8.784 1.00 0.00 H new ATOM 0 HA ASN A 64 10.975 1.069 -9.892 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.736 0.648 -12.116 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.180 -0.703 -11.091 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.831 -1.857 -11.025 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.551 -2.213 -11.212 1.00 0.00 H new ATOM 168 N LYS A 65 8.770 3.229 -9.439 1.00 0.00 N ATOM 169 CA LYS A 65 8.421 4.609 -9.595 1.00 0.00 C ATOM 170 C LYS A 65 7.251 4.702 -10.494 1.00 0.00 C ATOM 171 O LYS A 65 7.251 5.438 -11.480 1.00 0.00 O ATOM 172 CB LYS A 65 9.547 5.591 -9.874 1.00 0.00 C ATOM 173 CG LYS A 65 10.346 5.898 -8.611 1.00 0.00 C ATOM 174 CD LYS A 65 11.618 5.053 -8.471 1.00 0.00 C ATOM 175 CE LYS A 65 12.055 4.851 -7.017 1.00 0.00 C ATOM 176 NZ LYS A 65 12.873 3.646 -6.904 1.00 0.00 N ATOM 0 H LYS A 65 8.439 2.809 -8.570 1.00 0.00 H new ATOM 0 HA LYS A 65 8.142 4.977 -8.608 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.210 5.179 -10.635 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.134 6.515 -10.278 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.619 6.953 -8.611 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.712 5.732 -7.740 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.451 4.079 -8.931 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.427 5.532 -9.023 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.620 5.718 -6.675 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.179 4.768 -6.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.221 3.553 -5.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.300 2.813 -7.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.681 3.713 -7.555 1.00 0.00 H new ATOM 190 N GLN A 66 6.192 3.997 -10.080 1.00 0.00 N ATOM 191 CA GLN A 66 4.941 4.044 -10.768 1.00 0.00 C ATOM 192 C GLN A 66 3.897 4.310 -9.757 1.00 0.00 C ATOM 193 O GLN A 66 4.196 4.751 -8.654 1.00 0.00 O ATOM 194 CB GLN A 66 4.605 2.724 -11.460 1.00 0.00 C ATOM 195 CG GLN A 66 4.953 2.709 -12.942 1.00 0.00 C ATOM 196 CD GLN A 66 3.668 2.922 -13.725 1.00 0.00 C ATOM 197 OE1 GLN A 66 2.877 1.999 -13.916 1.00 0.00 O ATOM 198 NE2 GLN A 66 3.398 4.189 -14.103 1.00 0.00 N ATOM 0 H GLN A 66 6.199 3.388 -9.262 1.00 0.00 H new ATOM 0 HA GLN A 66 4.996 4.816 -11.536 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.139 1.915 -10.961 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.540 2.522 -11.343 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.675 3.493 -13.173 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.414 1.760 -13.216 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.078 4.929 -13.928 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.514 4.407 -14.563 1.00 0.00 H new ATOM 207 N ARG A 67 2.629 4.106 -10.148 1.00 0.00 N ATOM 208 CA ARG A 67 1.565 4.263 -9.214 1.00 0.00 C ATOM 209 C ARG A 67 0.353 3.608 -9.786 1.00 0.00 C ATOM 210 O ARG A 67 0.384 3.093 -10.904 1.00 0.00 O ATOM 211 CB ARG A 67 1.257 5.720 -8.885 1.00 0.00 C ATOM 212 CG ARG A 67 0.872 6.566 -10.102 1.00 0.00 C ATOM 213 CD ARG A 67 -0.639 6.736 -10.270 1.00 0.00 C ATOM 214 NE ARG A 67 -0.861 7.684 -11.402 1.00 0.00 N ATOM 215 CZ ARG A 67 -2.111 7.877 -11.905 1.00 0.00 C ATOM 216 NH1 ARG A 67 -3.156 7.157 -11.453 1.00 0.00 N ATOM 217 NH2 ARG A 67 -2.305 8.772 -12.900 1.00 0.00 N ATOM 0 H ARG A 67 2.345 3.838 -11.090 1.00 0.00 H new ATOM 0 HA ARG A 67 1.870 3.800 -8.275 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.444 5.754 -8.160 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.129 6.166 -8.407 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.333 7.550 -10.012 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.280 6.104 -11.001 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.112 5.776 -10.476 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.086 7.122 -9.354 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.071 8.190 -11.801 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.016 6.457 -10.725 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.087 7.312 -11.839 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.516 9.300 -13.272 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.241 8.919 -13.279 1.00 0.00 H new ATOM 231 N THR A 68 -0.734 3.619 -8.994 1.00 0.00 N ATOM 232 CA THR A 68 -1.970 3.017 -9.401 1.00 0.00 C ATOM 233 C THR A 68 -2.960 3.329 -8.320 1.00 0.00 C ATOM 234 O THR A 68 -2.618 3.986 -7.335 1.00 0.00 O ATOM 235 CB THR A 68 -1.890 1.494 -9.613 1.00 0.00 C ATOM 236 OG1 THR A 68 -3.084 1.014 -10.216 1.00 0.00 O ATOM 237 CG2 THR A 68 -1.578 0.695 -8.338 1.00 0.00 C ATOM 0 H THR A 68 -0.759 4.046 -8.068 1.00 0.00 H new ATOM 0 HA THR A 68 -2.254 3.421 -10.373 1.00 0.00 H new ATOM 0 HB THR A 68 -1.043 1.333 -10.280 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.018 0.045 -10.346 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.540 -0.368 -8.575 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.616 1.012 -7.936 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.357 0.873 -7.597 1.00 0.00 H new ATOM 245 N VAL A 69 -4.213 2.861 -8.484 1.00 0.00 N ATOM 246 CA VAL A 69 -5.215 3.104 -7.488 1.00 0.00 C ATOM 247 C VAL A 69 -5.651 1.776 -6.965 1.00 0.00 C ATOM 248 O VAL A 69 -5.551 0.757 -7.648 1.00 0.00 O ATOM 249 CB VAL A 69 -6.432 3.883 -8.008 1.00 0.00 C ATOM 250 CG1 VAL A 69 -7.018 3.315 -9.307 1.00 0.00 C ATOM 251 CG2 VAL A 69 -7.530 4.120 -6.951 1.00 0.00 C ATOM 0 H VAL A 69 -4.529 2.324 -9.291 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.777 3.731 -6.712 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.023 4.865 -8.248 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.874 3.916 -9.613 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.259 3.339 -10.089 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.338 2.286 -9.143 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.353 4.676 -7.400 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.897 3.161 -6.586 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.117 4.691 -6.119 1.00 0.00 H new ATOM 261 N VAL A 70 -6.157 1.777 -5.720 1.00 0.00 N ATOM 262 CA VAL A 70 -6.489 0.557 -5.057 1.00 0.00 C ATOM 263 C VAL A 70 -7.934 0.638 -4.699 1.00 0.00 C ATOM 264 O VAL A 70 -8.540 1.709 -4.716 1.00 0.00 O ATOM 265 CB VAL A 70 -5.616 0.421 -3.796 1.00 0.00 C ATOM 266 CG1 VAL A 70 -6.376 0.205 -2.478 1.00 0.00 C ATOM 267 CG2 VAL A 70 -4.254 -0.202 -4.053 1.00 0.00 C ATOM 0 H VAL A 70 -6.336 2.620 -5.174 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.309 -0.313 -5.688 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.261 1.413 -3.516 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.664 0.123 -1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.041 1.050 -2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.963 -0.711 -2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.699 -0.263 -3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.384 -1.203 -4.464 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.701 0.413 -4.763 1.00 0.00 H new ATOM 277 N ASN A 71 -8.491 -0.514 -4.308 1.00 0.00 N ATOM 278 CA ASN A 71 -9.815 -0.556 -3.766 1.00 0.00 C ATOM 279 C ASN A 71 -9.749 -1.430 -2.557 1.00 0.00 C ATOM 280 O ASN A 71 -9.152 -2.505 -2.589 1.00 0.00 O ATOM 281 CB ASN A 71 -10.835 -1.162 -4.741 1.00 0.00 C ATOM 282 CG ASN A 71 -11.557 -0.022 -5.448 1.00 0.00 C ATOM 283 OD1 ASN A 71 -12.568 0.486 -4.959 1.00 0.00 O ATOM 284 ND2 ASN A 71 -11.031 0.393 -6.630 1.00 0.00 N ATOM 0 H ASN A 71 -8.028 -1.421 -4.365 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.141 0.461 -3.548 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.333 -1.801 -5.467 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.548 -1.788 -4.204 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.475 1.152 -7.147 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.192 -0.054 -7.000 1.00 0.00 H new ATOM 291 N VAL A 72 -10.337 -0.957 -1.443 1.00 0.00 N ATOM 292 CA VAL A 72 -10.264 -1.692 -0.215 1.00 0.00 C ATOM 293 C VAL A 72 -11.669 -1.965 0.214 1.00 0.00 C ATOM 294 O VAL A 72 -12.548 -1.111 0.090 1.00 0.00 O ATOM 295 CB VAL A 72 -9.561 -0.910 0.902 1.00 0.00 C ATOM 296 CG1 VAL A 72 -9.319 -1.733 2.173 1.00 0.00 C ATOM 297 CG2 VAL A 72 -8.229 -0.289 0.457 1.00 0.00 C ATOM 0 H VAL A 72 -10.855 -0.080 -1.390 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.687 -2.601 -0.386 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.266 -0.112 1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.819 -1.114 2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -10.274 -2.078 2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.693 -2.593 1.936 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.782 0.250 1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.551 -1.077 0.130 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.407 0.402 -0.367 1.00 0.00 H new ATOM 307 N ARG A 73 -11.917 -3.193 0.706 1.00 0.00 N ATOM 308 CA ARG A 73 -13.216 -3.534 1.205 1.00 0.00 C ATOM 309 C ARG A 73 -13.058 -3.799 2.669 1.00 0.00 C ATOM 310 O ARG A 73 -11.952 -3.763 3.209 1.00 0.00 O ATOM 311 CB ARG A 73 -13.809 -4.782 0.529 1.00 0.00 C ATOM 312 CG ARG A 73 -15.035 -4.486 -0.346 1.00 0.00 C ATOM 313 CD ARG A 73 -14.681 -4.001 -1.757 1.00 0.00 C ATOM 314 NE ARG A 73 -14.249 -2.576 -1.651 1.00 0.00 N ATOM 315 CZ ARG A 73 -14.005 -1.839 -2.768 1.00 0.00 C ATOM 316 NH1 ARG A 73 -14.322 -2.309 -3.990 1.00 0.00 N ATOM 317 NH2 ARG A 73 -13.504 -0.590 -2.654 1.00 0.00 N ATOM 0 H ARG A 73 -11.228 -3.943 0.759 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.902 -2.713 0.996 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.040 -5.252 -0.085 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.088 -5.503 1.298 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.642 -5.388 -0.423 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.648 -3.730 0.146 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.885 -4.612 -2.183 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.541 -4.092 -2.420 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.136 -2.150 -0.731 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -14.751 -3.229 -4.087 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -14.133 -1.745 -4.818 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.309 -0.201 -1.731 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.320 -0.036 -3.490 1.00 0.00 H new ATOM 331 N ASN A 74 -14.176 -4.123 3.348 1.00 0.00 N ATOM 332 CA ASN A 74 -14.137 -4.292 4.772 1.00 0.00 C ATOM 333 C ASN A 74 -13.590 -5.658 5.060 1.00 0.00 C ATOM 334 O ASN A 74 -14.274 -6.668 4.900 1.00 0.00 O ATOM 335 CB ASN A 74 -15.485 -4.108 5.495 1.00 0.00 C ATOM 336 CG ASN A 74 -16.613 -4.459 4.531 1.00 0.00 C ATOM 337 OD1 ASN A 74 -17.226 -3.580 3.923 1.00 0.00 O ATOM 338 ND2 ASN A 74 -16.873 -5.780 4.351 1.00 0.00 N ATOM 0 H ASN A 74 -15.092 -4.266 2.922 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.503 -3.497 5.163 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.530 -4.747 6.377 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.590 -3.080 5.840 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -17.597 -6.072 3.694 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.345 -6.479 4.872 1.00 0.00 H new ATOM 345 N GLY A 75 -12.321 -5.701 5.507 1.00 0.00 N ATOM 346 CA GLY A 75 -11.744 -6.934 5.959 1.00 0.00 C ATOM 347 C GLY A 75 -10.573 -7.241 5.087 1.00 0.00 C ATOM 348 O GLY A 75 -10.026 -8.341 5.132 1.00 0.00 O ATOM 0 H GLY A 75 -11.699 -4.894 5.556 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.432 -6.850 7.000 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.477 -7.739 5.910 1.00 0.00 H new ATOM 352 N MET A 76 -10.112 -6.244 4.310 1.00 0.00 N ATOM 353 CA MET A 76 -8.963 -6.449 3.485 1.00 0.00 C ATOM 354 C MET A 76 -7.772 -5.972 4.236 1.00 0.00 C ATOM 355 O MET A 76 -7.827 -4.992 4.978 1.00 0.00 O ATOM 356 CB MET A 76 -9.035 -5.748 2.130 1.00 0.00 C ATOM 357 CG MET A 76 -10.029 -6.420 1.188 1.00 0.00 C ATOM 358 SD MET A 76 -10.015 -5.593 -0.433 1.00 0.00 S ATOM 359 CE MET A 76 -11.113 -6.718 -1.355 1.00 0.00 C ATOM 0 H MET A 76 -10.526 -5.313 4.253 1.00 0.00 H new ATOM 0 HA MET A 76 -8.905 -7.514 3.260 1.00 0.00 H new ATOM 0 HB2 MET A 76 -9.322 -4.707 2.276 1.00 0.00 H new ATOM 0 HB3 MET A 76 -8.046 -5.745 1.671 1.00 0.00 H new ATOM 0 HG2 MET A 76 -9.774 -7.473 1.069 1.00 0.00 H new ATOM 0 HG3 MET A 76 -11.031 -6.381 1.616 1.00 0.00 H new ATOM 0 HE1 MET A 76 -11.449 -6.230 -2.270 1.00 0.00 H new ATOM 0 HE2 MET A 76 -10.571 -7.629 -1.608 1.00 0.00 H new ATOM 0 HE3 MET A 76 -11.977 -6.968 -0.740 1.00 0.00 H new ATOM 369 N SER A 77 -6.651 -6.673 4.025 1.00 0.00 N ATOM 370 CA SER A 77 -5.441 -6.364 4.723 1.00 0.00 C ATOM 371 C SER A 77 -4.429 -6.053 3.699 1.00 0.00 C ATOM 372 O SER A 77 -4.442 -6.706 2.682 1.00 0.00 O ATOM 373 CB SER A 77 -4.883 -7.581 5.438 1.00 0.00 C ATOM 374 OG SER A 77 -5.817 -8.057 6.396 1.00 0.00 O ATOM 0 H SER A 77 -6.578 -7.454 3.373 1.00 0.00 H new ATOM 0 HA SER A 77 -5.649 -5.562 5.431 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.660 -8.366 4.715 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.945 -7.325 5.930 1.00 0.00 H new ATOM 0 HG SER A 77 -5.522 -8.928 6.736 1.00 0.00 H new ATOM 380 N LEU A 78 -3.398 -5.286 4.106 1.00 0.00 N ATOM 381 CA LEU A 78 -2.393 -4.785 3.209 1.00 0.00 C ATOM 382 C LEU A 78 -1.999 -5.862 2.239 1.00 0.00 C ATOM 383 O LEU A 78 -2.200 -5.723 1.045 1.00 0.00 O ATOM 384 CB LEU A 78 -1.154 -4.366 3.998 1.00 0.00 C ATOM 385 CG LEU A 78 -0.975 -2.854 4.107 1.00 0.00 C ATOM 386 CD1 LEU A 78 -0.743 -2.188 2.785 1.00 0.00 C ATOM 387 CD2 LEU A 78 -2.247 -2.105 4.471 1.00 0.00 C ATOM 0 H LEU A 78 -3.258 -5.007 5.077 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.799 -3.927 2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.213 -4.789 5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.271 -4.794 3.524 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.163 -2.800 4.833 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.624 -1.115 2.934 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.159 -2.593 2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.595 -2.371 2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.036 -1.037 4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.006 -2.285 3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.612 -2.456 5.436 1.00 0.00 H new ATOM 399 N HIS A 79 -1.494 -6.997 2.752 1.00 0.00 N ATOM 400 CA HIS A 79 -0.942 -8.023 1.909 1.00 0.00 C ATOM 401 C HIS A 79 -2.020 -8.499 0.976 1.00 0.00 C ATOM 402 O HIS A 79 -1.856 -8.435 -0.230 1.00 0.00 O ATOM 403 CB HIS A 79 -0.500 -9.242 2.734 1.00 0.00 C ATOM 404 CG HIS A 79 0.968 -9.265 3.046 1.00 0.00 C ATOM 405 ND1 HIS A 79 1.462 -9.958 4.118 1.00 0.00 N ATOM 406 CD2 HIS A 79 2.039 -8.926 2.288 1.00 0.00 C ATOM 407 CE1 HIS A 79 2.780 -9.987 4.035 1.00 0.00 C ATOM 408 NE2 HIS A 79 3.156 -9.402 2.914 1.00 0.00 N ATOM 0 H HIS A 79 -1.466 -7.209 3.749 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.085 -7.606 1.380 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.060 -9.258 3.669 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -0.760 -10.150 2.190 1.00 0.00 H new ATOM 0 HD1 HIS A 79 0.904 -10.382 4.859 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.014 -8.379 1.357 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.444 -10.421 4.768 1.00 0.00 H new ATOM 417 N ASP A 80 -3.192 -8.876 1.528 1.00 0.00 N ATOM 418 CA ASP A 80 -4.225 -9.489 0.738 1.00 0.00 C ATOM 419 C ASP A 80 -4.870 -8.424 -0.111 1.00 0.00 C ATOM 420 O ASP A 80 -5.540 -8.731 -1.091 1.00 0.00 O ATOM 421 CB ASP A 80 -5.330 -10.082 1.627 1.00 0.00 C ATOM 422 CG ASP A 80 -4.796 -11.359 2.258 1.00 0.00 C ATOM 423 OD1 ASP A 80 -3.924 -11.247 3.161 1.00 0.00 O ATOM 424 OD2 ASP A 80 -5.264 -12.453 1.853 1.00 0.00 O ATOM 0 H ASP A 80 -3.425 -8.758 2.514 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.772 -10.280 0.141 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.621 -9.369 2.399 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.221 -10.293 1.036 1.00 0.00 H new ATOM 429 N CYS A 81 -4.672 -7.147 0.261 1.00 0.00 N ATOM 430 CA CYS A 81 -5.375 -6.068 -0.368 1.00 0.00 C ATOM 431 C CYS A 81 -4.483 -5.512 -1.450 1.00 0.00 C ATOM 432 O CYS A 81 -4.941 -4.832 -2.364 1.00 0.00 O ATOM 433 CB CYS A 81 -5.698 -4.972 0.667 1.00 0.00 C ATOM 434 SG CYS A 81 -6.980 -3.855 0.012 1.00 0.00 S ATOM 0 H CYS A 81 -4.026 -6.860 0.996 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.316 -6.420 -0.792 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -6.041 -5.427 1.596 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.797 -4.406 0.903 1.00 0.00 H new ATOM 0 HG CYS A 81 -8.089 -4.514 -0.147 1.00 0.00 H new ATOM 440 N LEU A 82 -3.175 -5.823 -1.363 1.00 0.00 N ATOM 441 CA LEU A 82 -2.215 -5.335 -2.316 1.00 0.00 C ATOM 442 C LEU A 82 -1.881 -6.467 -3.203 1.00 0.00 C ATOM 443 O LEU A 82 -1.326 -6.301 -4.279 1.00 0.00 O ATOM 444 CB LEU A 82 -0.905 -4.998 -1.616 1.00 0.00 C ATOM 445 CG LEU A 82 -0.983 -3.764 -0.725 1.00 0.00 C ATOM 446 CD1 LEU A 82 0.004 -2.662 -1.122 1.00 0.00 C ATOM 447 CD2 LEU A 82 -2.365 -3.108 -0.683 1.00 0.00 C ATOM 0 H LEU A 82 -2.779 -6.414 -0.632 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.627 -4.465 -2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.596 -5.852 -1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.131 -4.843 -2.368 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.734 -4.170 0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.106 -1.814 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.022 -3.046 -1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.201 -2.341 -2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.335 -2.238 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.650 -2.796 -1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.096 -3.823 -0.304 1.00 0.00 H new ATOM 459 N MET A 83 -2.181 -7.671 -2.714 1.00 0.00 N ATOM 460 CA MET A 83 -1.991 -8.875 -3.460 1.00 0.00 C ATOM 461 C MET A 83 -3.001 -8.873 -4.567 1.00 0.00 C ATOM 462 O MET A 83 -3.083 -9.803 -5.355 1.00 0.00 O ATOM 463 CB MET A 83 -2.342 -9.996 -2.489 1.00 0.00 C ATOM 464 CG MET A 83 -2.564 -11.345 -3.153 1.00 0.00 C ATOM 465 SD MET A 83 -2.197 -12.679 -1.968 1.00 0.00 S ATOM 466 CE MET A 83 -0.381 -12.547 -1.914 1.00 0.00 C ATOM 0 H MET A 83 -2.564 -7.819 -1.780 1.00 0.00 H new ATOM 0 HA MET A 83 -0.986 -8.980 -3.868 1.00 0.00 H new ATOM 0 HB2 MET A 83 -1.541 -10.091 -1.756 1.00 0.00 H new ATOM 0 HB3 MET A 83 -3.243 -9.720 -1.942 1.00 0.00 H new ATOM 0 HG2 MET A 83 -3.594 -11.426 -3.499 1.00 0.00 H new ATOM 0 HG3 MET A 83 -1.925 -11.439 -4.031 1.00 0.00 H new ATOM 0 HE1 MET A 83 0.048 -13.520 -1.674 1.00 0.00 H new ATOM 0 HE2 MET A 83 -0.011 -12.217 -2.885 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.091 -11.824 -1.151 1.00 0.00 H new ATOM 476 N LYS A 84 -3.899 -7.882 -4.516 1.00 0.00 N ATOM 477 CA LYS A 84 -4.675 -7.483 -5.656 1.00 0.00 C ATOM 478 C LYS A 84 -3.766 -6.724 -6.556 1.00 0.00 C ATOM 479 O LYS A 84 -3.553 -7.110 -7.702 1.00 0.00 O ATOM 480 CB LYS A 84 -5.694 -6.413 -5.256 1.00 0.00 C ATOM 481 CG LYS A 84 -7.027 -6.989 -4.817 1.00 0.00 C ATOM 482 CD LYS A 84 -6.934 -7.800 -3.525 1.00 0.00 C ATOM 483 CE LYS A 84 -8.296 -8.071 -2.880 1.00 0.00 C ATOM 484 NZ LYS A 84 -8.133 -8.942 -1.721 1.00 0.00 N ATOM 0 H LYS A 84 -4.095 -7.344 -3.672 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.138 -8.371 -6.085 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.281 -5.812 -4.446 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.856 -5.742 -6.099 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.739 -6.176 -4.678 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.420 -7.625 -5.610 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.444 -8.751 -3.736 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.303 -7.267 -2.814 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.758 -7.131 -2.577 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.965 -8.536 -3.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.718 -9.793 -1.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.134 -9.218 -1.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.430 -8.436 -0.862 1.00 0.00 H new ATOM 498 N ALA A 85 -3.257 -5.609 -6.003 1.00 0.00 N ATOM 499 CA ALA A 85 -2.563 -4.595 -6.763 1.00 0.00 C ATOM 500 C ALA A 85 -1.426 -5.234 -7.496 1.00 0.00 C ATOM 501 O ALA A 85 -1.355 -5.180 -8.716 1.00 0.00 O ATOM 502 CB ALA A 85 -1.935 -3.647 -5.713 1.00 0.00 C ATOM 0 H ALA A 85 -3.325 -5.400 -5.007 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.232 -4.091 -7.460 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.391 -2.851 -6.221 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.723 -3.213 -5.097 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.248 -4.209 -5.080 1.00 0.00 H new ATOM 508 N LEU A 86 -0.524 -5.873 -6.736 1.00 0.00 N ATOM 509 CA LEU A 86 0.750 -6.291 -7.245 1.00 0.00 C ATOM 510 C LEU A 86 0.521 -7.462 -8.112 1.00 0.00 C ATOM 511 O LEU A 86 1.299 -7.728 -9.013 1.00 0.00 O ATOM 512 CB LEU A 86 1.552 -6.781 -6.058 1.00 0.00 C ATOM 513 CG LEU A 86 1.703 -5.708 -4.986 1.00 0.00 C ATOM 514 CD1 LEU A 86 1.629 -6.254 -3.593 1.00 0.00 C ATOM 515 CD2 LEU A 86 2.761 -4.665 -5.318 1.00 0.00 C ATOM 0 H LEU A 86 -0.676 -6.105 -5.754 1.00 0.00 H new ATOM 0 HA LEU A 86 1.251 -5.486 -7.782 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.065 -7.656 -5.628 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.539 -7.099 -6.394 1.00 0.00 H new ATOM 0 HG LEU A 86 0.811 -5.082 -5.000 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.743 -5.440 -2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.664 -6.737 -3.442 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.426 -6.982 -3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.815 -3.933 -4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.729 -5.152 -5.431 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.497 -4.162 -6.248 1.00 0.00 H new ATOM 527 N LYS A 87 -0.547 -8.204 -7.801 1.00 0.00 N ATOM 528 CA LYS A 87 -0.967 -9.304 -8.627 1.00 0.00 C ATOM 529 C LYS A 87 -1.169 -8.790 -10.025 1.00 0.00 C ATOM 530 O LYS A 87 -0.695 -9.385 -10.990 1.00 0.00 O ATOM 531 CB LYS A 87 -2.341 -9.792 -8.177 1.00 0.00 C ATOM 532 CG LYS A 87 -2.422 -11.301 -7.994 1.00 0.00 C ATOM 533 CD LYS A 87 -2.996 -12.024 -9.215 1.00 0.00 C ATOM 534 CE LYS A 87 -3.116 -13.539 -9.028 1.00 0.00 C ATOM 535 NZ LYS A 87 -3.678 -14.148 -10.229 1.00 0.00 N ATOM 0 H LYS A 87 -1.128 -8.049 -6.977 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.220 -10.095 -8.566 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.600 -9.306 -7.236 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.085 -9.483 -8.911 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.425 -11.690 -7.784 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.040 -11.523 -7.124 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.981 -11.615 -9.440 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.362 -11.822 -10.078 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.135 -13.966 -8.819 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.750 -13.758 -8.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -3.756 -15.176 -10.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.622 -13.750 -10.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.058 -13.952 -11.040 1.00 0.00 H new ATOM 549 N VAL A 88 -1.909 -7.669 -10.122 1.00 0.00 N ATOM 550 CA VAL A 88 -2.240 -7.070 -11.389 1.00 0.00 C ATOM 551 C VAL A 88 -0.960 -6.654 -12.064 1.00 0.00 C ATOM 552 O VAL A 88 -0.836 -6.714 -13.285 1.00 0.00 O ATOM 553 CB VAL A 88 -3.068 -5.792 -11.177 1.00 0.00 C ATOM 554 CG1 VAL A 88 -3.355 -5.007 -12.459 1.00 0.00 C ATOM 555 CG2 VAL A 88 -4.315 -6.000 -10.320 1.00 0.00 C ATOM 0 H VAL A 88 -2.284 -7.169 -9.316 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.804 -7.790 -11.982 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.410 -5.150 -10.591 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.943 -4.121 -12.219 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.414 -4.704 -12.919 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.912 -5.636 -13.154 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.847 -5.054 -10.215 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.967 -6.732 -10.797 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.023 -6.363 -9.335 1.00 0.00 H new ATOM 565 N ARG A 89 0.019 -6.204 -11.259 1.00 0.00 N ATOM 566 CA ARG A 89 1.177 -5.552 -11.792 1.00 0.00 C ATOM 567 C ARG A 89 2.173 -6.605 -12.172 1.00 0.00 C ATOM 568 O ARG A 89 2.943 -6.433 -13.115 1.00 0.00 O ATOM 569 CB ARG A 89 1.747 -4.650 -10.706 1.00 0.00 C ATOM 570 CG ARG A 89 0.680 -3.736 -10.101 1.00 0.00 C ATOM 571 CD ARG A 89 1.028 -2.252 -10.162 1.00 0.00 C ATOM 572 NE ARG A 89 1.363 -1.922 -11.578 1.00 0.00 N ATOM 573 CZ ARG A 89 1.546 -0.629 -11.963 1.00 0.00 C ATOM 574 NH1 ARG A 89 1.283 0.383 -11.115 1.00 0.00 N ATOM 575 NH2 ARG A 89 1.930 -0.353 -13.229 1.00 0.00 N ATOM 0 H ARG A 89 0.010 -6.291 -10.243 1.00 0.00 H new ATOM 0 HA ARG A 89 0.934 -4.955 -12.671 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.187 -5.263 -9.920 1.00 0.00 H new ATOM 0 HB3 ARG A 89 2.550 -4.043 -11.124 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.263 -3.900 -10.623 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.521 -4.019 -9.060 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.189 -1.648 -9.817 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.871 -2.030 -9.508 1.00 0.00 H new ATOM 0 HE ARG A 89 1.456 -2.672 -12.264 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.943 0.185 -10.174 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.424 1.348 -11.414 1.00 0.00 H new ATOM 0 HH21 ARG A 89 2.082 -1.112 -13.893 1.00 0.00 H new ATOM 0 HH22 ARG A 89 2.068 0.615 -13.521 1.00 0.00 H new ATOM 589 N GLY A 90 2.188 -7.711 -11.411 1.00 0.00 N ATOM 590 CA GLY A 90 3.082 -8.798 -11.696 1.00 0.00 C ATOM 591 C GLY A 90 4.174 -8.757 -10.675 1.00 0.00 C ATOM 592 O GLY A 90 5.337 -9.003 -10.987 1.00 0.00 O ATOM 0 H GLY A 90 1.586 -7.857 -10.601 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.554 -9.751 -11.655 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.493 -8.704 -12.701 1.00 0.00 H new ATOM 596 N LEU A 91 3.808 -8.467 -9.412 1.00 0.00 N ATOM 597 CA LEU A 91 4.795 -8.333 -8.382 1.00 0.00 C ATOM 598 C LEU A 91 4.317 -9.114 -7.198 1.00 0.00 C ATOM 599 O LEU A 91 3.198 -9.628 -7.181 1.00 0.00 O ATOM 600 CB LEU A 91 4.963 -6.873 -7.953 1.00 0.00 C ATOM 601 CG LEU A 91 5.826 -6.057 -8.922 1.00 0.00 C ATOM 602 CD1 LEU A 91 5.034 -5.029 -9.747 1.00 0.00 C ATOM 603 CD2 LEU A 91 7.060 -5.436 -8.259 1.00 0.00 C ATOM 0 H LEU A 91 2.845 -8.327 -9.106 1.00 0.00 H new ATOM 0 HA LEU A 91 5.753 -8.694 -8.758 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.980 -6.409 -7.872 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.413 -6.842 -6.961 1.00 0.00 H new ATOM 0 HG LEU A 91 6.196 -6.791 -9.638 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.714 -4.492 -10.408 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.280 -5.544 -10.342 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.546 -4.322 -9.076 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.626 -4.872 -9.000 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.745 -4.767 -7.458 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.688 -6.226 -7.847 1.00 0.00 H new ATOM 615 N GLN A 92 5.166 -9.190 -6.152 1.00 0.00 N ATOM 616 CA GLN A 92 4.791 -9.878 -4.952 1.00 0.00 C ATOM 617 C GLN A 92 4.930 -8.896 -3.819 1.00 0.00 C ATOM 618 O GLN A 92 5.724 -7.957 -3.884 1.00 0.00 O ATOM 619 CB GLN A 92 5.656 -11.117 -4.672 1.00 0.00 C ATOM 620 CG GLN A 92 7.160 -10.818 -4.592 1.00 0.00 C ATOM 621 CD GLN A 92 7.845 -11.995 -3.904 1.00 0.00 C ATOM 622 OE1 GLN A 92 7.818 -12.113 -2.678 1.00 0.00 O ATOM 623 NE2 GLN A 92 8.522 -12.892 -4.684 1.00 0.00 N ATOM 0 H GLN A 92 6.100 -8.781 -6.137 1.00 0.00 H new ATOM 0 HA GLN A 92 3.769 -10.241 -5.060 1.00 0.00 H new ATOM 0 HB2 GLN A 92 5.334 -11.568 -3.733 1.00 0.00 H new ATOM 0 HB3 GLN A 92 5.483 -11.854 -5.456 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.572 -10.670 -5.590 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.335 -9.898 -4.035 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.534 -12.779 -5.698 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.015 -13.674 -4.252 1.00 0.00 H new ATOM 632 N PRO A 93 4.187 -9.193 -2.761 1.00 0.00 N ATOM 633 CA PRO A 93 4.239 -8.141 -1.767 1.00 0.00 C ATOM 634 C PRO A 93 5.225 -8.621 -0.734 1.00 0.00 C ATOM 635 O PRO A 93 5.764 -7.822 0.027 1.00 0.00 O ATOM 636 CB PRO A 93 2.865 -8.112 -1.118 1.00 0.00 C ATOM 637 CG PRO A 93 2.110 -9.331 -1.637 1.00 0.00 C ATOM 638 CD PRO A 93 2.868 -9.790 -2.875 1.00 0.00 C ATOM 0 HA PRO A 93 4.510 -7.166 -2.172 1.00 0.00 H new ATOM 0 HB2 PRO A 93 2.949 -8.142 -0.032 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.337 -7.193 -1.371 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.075 -10.119 -0.885 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.078 -9.078 -1.881 1.00 0.00 H new ATOM 0 HD2 PRO A 93 2.931 -10.877 -2.917 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.366 -9.464 -3.786 1.00 0.00 H new ATOM 646 N GLU A 94 5.525 -9.938 -0.697 1.00 0.00 N ATOM 647 CA GLU A 94 6.196 -10.509 0.442 1.00 0.00 C ATOM 648 C GLU A 94 7.623 -10.022 0.469 1.00 0.00 C ATOM 649 O GLU A 94 8.281 -10.073 1.506 1.00 0.00 O ATOM 650 CB GLU A 94 6.220 -12.044 0.449 1.00 0.00 C ATOM 651 CG GLU A 94 4.832 -12.680 0.615 1.00 0.00 C ATOM 652 CD GLU A 94 4.306 -13.052 -0.764 1.00 0.00 C ATOM 653 OE1 GLU A 94 4.255 -12.149 -1.640 1.00 0.00 O ATOM 654 OE2 GLU A 94 3.934 -14.240 -0.955 1.00 0.00 O ATOM 0 H GLU A 94 5.308 -10.600 -1.442 1.00 0.00 H new ATOM 0 HA GLU A 94 5.631 -10.190 1.318 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.663 -12.396 -0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.866 -12.385 1.258 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.894 -13.565 1.249 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.152 -11.983 1.105 1.00 0.00 H new ATOM 661 N CYS A 95 8.140 -9.526 -0.673 1.00 0.00 N ATOM 662 CA CYS A 95 9.522 -9.144 -0.731 1.00 0.00 C ATOM 663 C CYS A 95 9.588 -7.644 -0.744 1.00 0.00 C ATOM 664 O CYS A 95 10.639 -7.057 -1.005 1.00 0.00 O ATOM 665 CB CYS A 95 10.220 -9.652 -1.997 1.00 0.00 C ATOM 666 SG CYS A 95 10.683 -11.401 -1.780 1.00 0.00 S ATOM 0 H CYS A 95 7.616 -9.391 -1.538 1.00 0.00 H new ATOM 0 HA CYS A 95 10.026 -9.580 0.132 1.00 0.00 H new ATOM 0 HB2 CYS A 95 9.559 -9.544 -2.857 1.00 0.00 H new ATOM 0 HB3 CYS A 95 11.108 -9.053 -2.200 1.00 0.00 H new ATOM 0 HG CYS A 95 9.651 -12.155 -2.015 1.00 0.00 H new ATOM 672 N CYS A 96 8.467 -6.972 -0.419 1.00 0.00 N ATOM 673 CA CYS A 96 8.440 -5.543 -0.498 1.00 0.00 C ATOM 674 C CYS A 96 7.981 -5.021 0.830 1.00 0.00 C ATOM 675 O CYS A 96 7.562 -5.778 1.701 1.00 0.00 O ATOM 676 CB CYS A 96 7.448 -5.047 -1.551 1.00 0.00 C ATOM 677 SG CYS A 96 7.984 -5.586 -3.207 1.00 0.00 S ATOM 0 H CYS A 96 7.598 -7.406 -0.108 1.00 0.00 H new ATOM 0 HA CYS A 96 9.438 -5.196 -0.767 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.452 -5.435 -1.337 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.381 -3.960 -1.517 1.00 0.00 H new ATOM 0 HG CYS A 96 7.185 -6.515 -3.641 1.00 0.00 H new ATOM 683 N ALA A 97 8.091 -3.689 1.004 1.00 0.00 N ATOM 684 CA ALA A 97 7.567 -3.038 2.171 1.00 0.00 C ATOM 685 C ALA A 97 6.728 -1.906 1.683 1.00 0.00 C ATOM 686 O ALA A 97 7.139 -1.136 0.825 1.00 0.00 O ATOM 687 CB ALA A 97 8.577 -2.458 3.177 1.00 0.00 C ATOM 0 H ALA A 97 8.542 -3.062 0.338 1.00 0.00 H new ATOM 0 HA ALA A 97 7.044 -3.817 2.726 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.041 -1.997 4.007 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.213 -3.258 3.556 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.193 -1.708 2.682 1.00 0.00 H new ATOM 693 N VAL A 98 5.525 -1.764 2.262 1.00 0.00 N ATOM 694 CA VAL A 98 4.611 -0.748 1.831 1.00 0.00 C ATOM 695 C VAL A 98 4.635 0.340 2.867 1.00 0.00 C ATOM 696 O VAL A 98 4.939 0.106 4.038 1.00 0.00 O ATOM 697 CB VAL A 98 3.195 -1.316 1.685 1.00 0.00 C ATOM 698 CG1 VAL A 98 2.779 -2.198 2.857 1.00 0.00 C ATOM 699 CG2 VAL A 98 2.113 -0.274 1.401 1.00 0.00 C ATOM 0 H VAL A 98 5.183 -2.348 3.025 1.00 0.00 H new ATOM 0 HA VAL A 98 4.905 -0.361 0.856 1.00 0.00 H new ATOM 0 HB VAL A 98 3.270 -1.939 0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.767 -2.568 2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.465 -3.041 2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.807 -1.616 3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.146 -0.769 1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.079 0.447 2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.342 0.243 0.469 1.00 0.00 H new ATOM 709 N PHE A 99 4.300 1.571 2.436 1.00 0.00 N ATOM 710 CA PHE A 99 4.488 2.721 3.268 1.00 0.00 C ATOM 711 C PHE A 99 3.367 3.665 2.988 1.00 0.00 C ATOM 712 O PHE A 99 2.734 3.607 1.934 1.00 0.00 O ATOM 713 CB PHE A 99 5.757 3.515 2.909 1.00 0.00 C ATOM 714 CG PHE A 99 6.937 2.752 3.402 1.00 0.00 C ATOM 715 CD1 PHE A 99 7.490 1.732 2.647 1.00 0.00 C ATOM 716 CD2 PHE A 99 7.622 3.120 4.573 1.00 0.00 C ATOM 717 CE1 PHE A 99 8.784 1.319 2.871 1.00 0.00 C ATOM 718 CE2 PHE A 99 8.912 2.711 4.790 1.00 0.00 C ATOM 719 CZ PHE A 99 9.524 1.898 3.874 1.00 0.00 C ATOM 0 H PHE A 99 3.902 1.769 1.518 1.00 0.00 H new ATOM 0 HA PHE A 99 4.548 2.366 4.297 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.822 3.661 1.831 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.727 4.505 3.364 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.902 1.256 1.876 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.126 3.733 5.311 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.217 0.541 2.259 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.442 3.027 5.676 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.586 1.712 3.939 1.00 0.00 H new ATOM 729 N ARG A 100 3.176 4.621 3.915 1.00 0.00 N ATOM 730 CA ARG A 100 2.443 5.809 3.613 1.00 0.00 C ATOM 731 C ARG A 100 3.458 6.843 3.239 1.00 0.00 C ATOM 732 O ARG A 100 4.519 6.947 3.858 1.00 0.00 O ATOM 733 CB ARG A 100 1.639 6.329 4.799 1.00 0.00 C ATOM 734 CG ARG A 100 0.244 5.710 4.899 1.00 0.00 C ATOM 735 CD ARG A 100 -0.337 5.716 6.315 1.00 0.00 C ATOM 736 NE ARG A 100 -1.171 6.946 6.468 1.00 0.00 N ATOM 737 CZ ARG A 100 -0.630 8.111 6.921 1.00 0.00 C ATOM 738 NH1 ARG A 100 0.595 8.130 7.482 1.00 0.00 N ATOM 739 NH2 ARG A 100 -1.390 9.230 6.960 1.00 0.00 N ATOM 0 H ARG A 100 3.528 4.571 4.871 1.00 0.00 H new ATOM 0 HA ARG A 100 1.729 5.594 2.818 1.00 0.00 H new ATOM 0 HB2 ARG A 100 2.187 6.125 5.719 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.544 7.412 4.719 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.432 6.252 4.237 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.287 4.682 4.539 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.940 4.824 6.483 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.463 5.704 7.055 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.162 6.913 6.229 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.128 7.265 7.571 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.989 9.009 7.817 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.362 9.198 6.651 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.991 10.106 7.298 1.00 0.00 H new ATOM 753 N LEU A 101 3.135 7.669 2.230 1.00 0.00 N ATOM 754 CA LEU A 101 4.120 8.524 1.638 1.00 0.00 C ATOM 755 C LEU A 101 4.236 9.750 2.485 1.00 0.00 C ATOM 756 O LEU A 101 3.382 10.035 3.326 1.00 0.00 O ATOM 757 CB LEU A 101 3.635 8.989 0.261 1.00 0.00 C ATOM 758 CG LEU A 101 3.870 7.961 -0.843 1.00 0.00 C ATOM 759 CD1 LEU A 101 2.880 8.102 -1.993 1.00 0.00 C ATOM 760 CD2 LEU A 101 5.330 7.881 -1.290 1.00 0.00 C ATOM 0 H LEU A 101 2.202 7.747 1.825 1.00 0.00 H new ATOM 0 HA LEU A 101 5.065 7.987 1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.570 9.215 0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.144 9.916 -0.002 1.00 0.00 H new ATOM 0 HG LEU A 101 3.663 6.986 -0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.092 7.347 -2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.865 7.965 -1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.973 9.094 -2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.429 7.132 -2.076 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.648 8.852 -1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.955 7.602 -0.442 1.00 0.00 H new ATOM 772 N LEU A 102 5.257 10.570 2.169 1.00 0.00 N ATOM 773 CA LEU A 102 5.569 11.711 2.960 1.00 0.00 C ATOM 774 C LEU A 102 4.686 12.848 2.538 1.00 0.00 C ATOM 775 O LEU A 102 5.110 13.807 1.900 1.00 0.00 O ATOM 776 CB LEU A 102 7.058 12.066 2.950 1.00 0.00 C ATOM 777 CG LEU A 102 7.607 12.530 1.594 1.00 0.00 C ATOM 778 CD1 LEU A 102 9.131 12.680 1.601 1.00 0.00 C ATOM 779 CD2 LEU A 102 7.207 11.634 0.420 1.00 0.00 C ATOM 0 H LEU A 102 5.866 10.437 1.361 1.00 0.00 H new ATOM 0 HA LEU A 102 5.365 11.478 4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.233 12.853 3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.626 11.194 3.275 1.00 0.00 H new ATOM 0 HG LEU A 102 7.143 13.505 1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.469 13.010 0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.421 13.416 2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.590 11.720 1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.634 12.029 -0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 102 7.581 10.624 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 102 6.121 11.609 0.335 1.00 0.00 H new ATOM 791 N HIS A 103 3.417 12.794 2.977 1.00 0.00 N ATOM 792 CA HIS A 103 2.563 13.941 2.905 1.00 0.00 C ATOM 793 C HIS A 103 2.409 14.439 4.308 1.00 0.00 C ATOM 794 O HIS A 103 1.553 15.270 4.605 1.00 0.00 O ATOM 795 CB HIS A 103 1.184 13.638 2.297 1.00 0.00 C ATOM 796 CG HIS A 103 0.402 12.602 3.054 1.00 0.00 C ATOM 797 ND1 HIS A 103 0.826 11.301 3.167 1.00 0.00 N ATOM 798 CD2 HIS A 103 -0.899 12.610 3.427 1.00 0.00 C ATOM 799 CE1 HIS A 103 -0.183 10.560 3.595 1.00 0.00 C ATOM 800 NE2 HIS A 103 -1.248 11.326 3.739 1.00 0.00 N ATOM 0 H HIS A 103 2.983 11.963 3.379 1.00 0.00 H new ATOM 0 HA HIS A 103 3.013 14.683 2.245 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.604 14.560 2.257 1.00 0.00 H new ATOM 0 HB3 HIS A 103 1.317 13.300 1.269 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -1.545 13.475 3.470 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -0.142 9.499 3.794 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -2.173 11.013 4.033 1.00 0.00 H new ATOM 809 N GLU A 104 3.275 13.920 5.201 1.00 0.00 N ATOM 810 CA GLU A 104 3.208 14.256 6.592 1.00 0.00 C ATOM 811 C GLU A 104 4.526 13.859 7.199 1.00 0.00 C ATOM 812 O GLU A 104 4.650 13.695 8.412 1.00 0.00 O ATOM 813 CB GLU A 104 2.079 13.507 7.321 1.00 0.00 C ATOM 814 CG GLU A 104 1.721 12.165 6.667 1.00 0.00 C ATOM 815 CD GLU A 104 0.964 11.320 7.680 1.00 0.00 C ATOM 816 OE1 GLU A 104 -0.286 11.455 7.756 1.00 0.00 O ATOM 817 OE2 GLU A 104 1.587 10.389 8.260 1.00 0.00 O ATOM 0 H GLU A 104 4.021 13.268 4.959 1.00 0.00 H new ATOM 0 HA GLU A 104 3.003 15.322 6.693 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.377 13.332 8.355 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.191 14.139 7.348 1.00 0.00 H new ATOM 0 HG2 GLU A 104 1.111 12.328 5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.625 11.649 6.343 1.00 0.00 H new ATOM 824 N HIS A 105 5.547 13.645 6.342 1.00 0.00 N ATOM 825 CA HIS A 105 6.860 13.326 6.826 1.00 0.00 C ATOM 826 C HIS A 105 7.825 14.063 5.954 1.00 0.00 C ATOM 827 O HIS A 105 7.425 14.746 5.012 1.00 0.00 O ATOM 828 CB HIS A 105 7.230 11.825 6.789 1.00 0.00 C ATOM 829 CG HIS A 105 6.047 10.919 6.619 1.00 0.00 C ATOM 830 ND1 HIS A 105 5.073 10.796 7.570 1.00 0.00 N ATOM 831 CD2 HIS A 105 5.773 10.017 5.655 1.00 0.00 C ATOM 832 CE1 HIS A 105 4.204 9.883 7.164 1.00 0.00 C ATOM 833 NE2 HIS A 105 4.597 9.407 5.994 1.00 0.00 N ATOM 0 H HIS A 105 5.465 13.692 5.326 1.00 0.00 H new ATOM 0 HA HIS A 105 6.893 13.610 7.878 1.00 0.00 H new ATOM 0 HB2 HIS A 105 7.930 11.652 5.972 1.00 0.00 H new ATOM 0 HB3 HIS A 105 7.747 11.564 7.712 1.00 0.00 H new ATOM 0 HD2 HIS A 105 6.371 9.814 4.779 1.00 0.00 H new ATOM 0 HE1 HIS A 105 3.318 9.577 7.701 1.00 0.00 H new ATOM 0 HE2 HIS A 105 4.107 8.705 5.440 1.00 0.00 H new ATOM 842 N LYS A 106 9.133 13.925 6.239 1.00 0.00 N ATOM 843 CA LYS A 106 10.114 14.551 5.413 1.00 0.00 C ATOM 844 C LYS A 106 11.246 13.585 5.276 1.00 0.00 C ATOM 845 O LYS A 106 11.764 13.069 6.265 1.00 0.00 O ATOM 846 CB LYS A 106 10.640 15.826 6.075 1.00 0.00 C ATOM 847 CG LYS A 106 11.815 16.476 5.338 1.00 0.00 C ATOM 848 CD LYS A 106 11.417 17.162 4.026 1.00 0.00 C ATOM 849 CE LYS A 106 10.471 18.355 4.214 1.00 0.00 C ATOM 850 NZ LYS A 106 11.137 19.408 4.974 1.00 0.00 N ATOM 0 H LYS A 106 9.504 13.391 7.025 1.00 0.00 H new ATOM 0 HA LYS A 106 9.680 14.815 4.449 1.00 0.00 H new ATOM 0 HB2 LYS A 106 9.826 16.548 6.146 1.00 0.00 H new ATOM 0 HB3 LYS A 106 10.949 15.592 7.094 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.282 17.210 5.994 1.00 0.00 H new ATOM 0 HG3 LYS A 106 12.565 15.714 5.126 1.00 0.00 H new ATOM 0 HD2 LYS A 106 12.319 17.502 3.516 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.939 16.430 3.375 1.00 0.00 H new ATOM 0 HE2 LYS A 106 10.159 18.739 3.242 1.00 0.00 H new ATOM 0 HE3 LYS A 106 9.569 18.035 4.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 10.574 20.281 4.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 11.231 19.113 5.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 12.081 19.581 4.574 1.00 0.00 H new ATOM 864 N GLY A 107 11.618 13.276 4.019 1.00 0.00 N ATOM 865 CA GLY A 107 12.817 12.524 3.775 1.00 0.00 C ATOM 866 C GLY A 107 12.435 11.097 3.530 1.00 0.00 C ATOM 867 O GLY A 107 12.955 10.455 2.621 1.00 0.00 O ATOM 0 H GLY A 107 11.099 13.541 3.182 1.00 0.00 H new ATOM 0 HA2 GLY A 107 13.350 12.928 2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 107 13.491 12.596 4.629 1.00 0.00 H new ATOM 871 N LYS A 108 11.540 10.545 4.373 1.00 0.00 N ATOM 872 CA LYS A 108 11.334 9.132 4.372 1.00 0.00 C ATOM 873 C LYS A 108 9.888 8.885 4.082 1.00 0.00 C ATOM 874 O LYS A 108 9.235 9.644 3.372 1.00 0.00 O ATOM 875 CB LYS A 108 11.656 8.530 5.745 1.00 0.00 C ATOM 876 CG LYS A 108 13.141 8.611 6.106 1.00 0.00 C ATOM 877 CD LYS A 108 13.674 7.349 6.789 1.00 0.00 C ATOM 878 CE LYS A 108 13.314 7.254 8.275 1.00 0.00 C ATOM 879 NZ LYS A 108 11.902 6.919 8.430 1.00 0.00 N ATOM 0 H LYS A 108 10.971 11.066 5.041 1.00 0.00 H new ATOM 0 HA LYS A 108 11.984 8.674 3.627 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.075 9.049 6.507 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.342 7.486 5.760 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.717 8.795 5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 108 13.301 9.465 6.764 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.281 6.473 6.272 1.00 0.00 H new ATOM 0 HD3 LYS A 108 14.759 7.321 6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.930 6.496 8.758 1.00 0.00 H new ATOM 0 HE3 LYS A 108 13.527 8.202 8.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 11.743 6.514 9.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 11.327 7.779 8.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 11.628 6.225 7.705 1.00 0.00 H new ATOM 893 N LYS A 109 9.377 7.776 4.635 1.00 0.00 N ATOM 894 CA LYS A 109 8.027 7.377 4.424 1.00 0.00 C ATOM 895 C LYS A 109 7.598 6.727 5.698 1.00 0.00 C ATOM 896 O LYS A 109 8.429 6.234 6.463 1.00 0.00 O ATOM 897 CB LYS A 109 7.989 6.336 3.306 1.00 0.00 C ATOM 898 CG LYS A 109 8.000 6.913 1.898 1.00 0.00 C ATOM 899 CD LYS A 109 7.506 5.908 0.863 1.00 0.00 C ATOM 900 CE LYS A 109 8.380 4.654 0.776 1.00 0.00 C ATOM 901 NZ LYS A 109 9.613 4.957 0.054 1.00 0.00 N ATOM 0 H LYS A 109 9.909 7.148 5.237 1.00 0.00 H new ATOM 0 HA LYS A 109 7.388 8.217 4.153 1.00 0.00 H new ATOM 0 HB2 LYS A 109 8.846 5.671 3.418 1.00 0.00 H new ATOM 0 HB3 LYS A 109 7.094 5.726 3.427 1.00 0.00 H new ATOM 0 HG2 LYS A 109 7.372 7.803 1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 109 9.012 7.227 1.643 1.00 0.00 H new ATOM 0 HD2 LYS A 109 6.485 5.615 1.108 1.00 0.00 H new ATOM 0 HD3 LYS A 109 7.473 6.389 -0.115 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.614 4.293 1.777 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.838 3.856 0.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 10.105 4.071 -0.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 9.385 5.468 -0.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 10.228 5.548 0.650 1.00 0.00 H new ATOM 915 N ALA A 110 6.284 6.735 5.976 1.00 0.00 N ATOM 916 CA ALA A 110 5.798 6.152 7.195 1.00 0.00 C ATOM 917 C ALA A 110 5.486 4.729 6.896 1.00 0.00 C ATOM 918 O ALA A 110 4.669 4.426 6.032 1.00 0.00 O ATOM 919 CB ALA A 110 4.571 6.776 7.862 1.00 0.00 C ATOM 0 H ALA A 110 5.566 7.136 5.373 1.00 0.00 H new ATOM 0 HA ALA A 110 6.594 6.321 7.920 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.330 6.223 8.770 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.783 7.815 8.115 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.724 6.735 7.177 1.00 0.00 H new ATOM 925 N ARG A 111 6.163 3.801 7.595 1.00 0.00 N ATOM 926 CA ARG A 111 6.138 2.443 7.173 1.00 0.00 C ATOM 927 C ARG A 111 5.030 1.779 7.900 1.00 0.00 C ATOM 928 O ARG A 111 4.689 2.150 9.023 1.00 0.00 O ATOM 929 CB ARG A 111 7.455 1.788 7.543 1.00 0.00 C ATOM 930 CG ARG A 111 7.591 0.351 7.054 1.00 0.00 C ATOM 931 CD ARG A 111 7.712 -0.637 8.208 1.00 0.00 C ATOM 932 NE ARG A 111 8.678 -1.697 7.794 1.00 0.00 N ATOM 933 CZ ARG A 111 8.304 -2.684 6.934 1.00 0.00 C ATOM 934 NH1 ARG A 111 6.999 -2.926 6.690 1.00 0.00 N ATOM 935 NH2 ARG A 111 9.237 -3.528 6.437 1.00 0.00 N ATOM 0 H ARG A 111 6.714 3.988 8.433 1.00 0.00 H new ATOM 0 HA ARG A 111 5.993 2.365 6.095 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.272 2.380 7.131 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.565 1.804 8.627 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.725 0.092 6.445 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.468 0.268 6.413 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.060 -0.132 9.109 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.741 -1.074 8.442 1.00 0.00 H new ATOM 0 HE ARG A 111 9.630 -1.682 8.160 1.00 0.00 H new ATOM 0 HH11 ARG A 111 6.282 -2.367 7.152 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.730 -3.668 6.044 1.00 0.00 H new ATOM 0 HH21 ARG A 111 10.215 -3.423 6.707 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.962 -4.269 5.792 1.00 0.00 H new ATOM 949 N LEU A 112 4.448 0.765 7.249 1.00 0.00 N ATOM 950 CA LEU A 112 3.209 0.225 7.708 1.00 0.00 C ATOM 951 C LEU A 112 3.409 -1.226 7.952 1.00 0.00 C ATOM 952 O LEU A 112 4.528 -1.740 7.896 1.00 0.00 O ATOM 953 CB LEU A 112 2.107 0.354 6.655 1.00 0.00 C ATOM 954 CG LEU A 112 1.921 1.780 6.143 1.00 0.00 C ATOM 955 CD1 LEU A 112 0.971 1.871 4.947 1.00 0.00 C ATOM 956 CD2 LEU A 112 1.470 2.755 7.230 1.00 0.00 C ATOM 0 H LEU A 112 4.828 0.321 6.413 1.00 0.00 H new ATOM 0 HA LEU A 112 2.910 0.770 8.603 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.341 -0.299 5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.166 0.003 7.079 1.00 0.00 H new ATOM 0 HG LEU A 112 2.916 2.077 5.811 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.882 2.910 4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.364 1.274 4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.011 1.493 5.233 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.356 3.751 6.801 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.516 2.426 7.641 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.216 2.785 8.024 1.00 0.00 H new ATOM 968 N ASP A 113 2.284 -1.921 8.181 1.00 0.00 N ATOM 969 CA ASP A 113 2.311 -3.342 8.364 1.00 0.00 C ATOM 970 C ASP A 113 2.010 -3.964 7.035 1.00 0.00 C ATOM 971 O ASP A 113 1.759 -3.262 6.058 1.00 0.00 O ATOM 972 CB ASP A 113 1.325 -3.846 9.435 1.00 0.00 C ATOM 973 CG ASP A 113 1.845 -5.164 9.991 1.00 0.00 C ATOM 974 OD1 ASP A 113 2.624 -5.124 10.978 1.00 0.00 O ATOM 975 OD2 ASP A 113 1.482 -6.222 9.406 1.00 0.00 O ATOM 0 H ASP A 113 1.355 -1.503 8.240 1.00 0.00 H new ATOM 0 HA ASP A 113 3.297 -3.628 8.731 1.00 0.00 H new ATOM 0 HB2 ASP A 113 1.226 -3.111 10.234 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.334 -3.982 9.003 1.00 0.00 H new ATOM 980 N TRP A 114 2.047 -5.312 6.984 1.00 0.00 N ATOM 981 CA TRP A 114 1.785 -6.018 5.787 1.00 0.00 C ATOM 982 C TRP A 114 0.471 -6.727 6.004 1.00 0.00 C ATOM 983 O TRP A 114 -0.064 -7.411 5.136 1.00 0.00 O ATOM 984 CB TRP A 114 2.916 -7.039 5.529 1.00 0.00 C ATOM 985 CG TRP A 114 3.684 -6.783 4.256 1.00 0.00 C ATOM 986 CD1 TRP A 114 4.977 -7.036 3.909 1.00 0.00 C ATOM 987 CD2 TRP A 114 3.058 -6.243 3.100 1.00 0.00 C ATOM 988 NE1 TRP A 114 5.194 -6.645 2.603 1.00 0.00 N ATOM 989 CE2 TRP A 114 4.014 -6.146 2.089 1.00 0.00 C ATOM 990 CE3 TRP A 114 1.748 -5.997 2.922 1.00 0.00 C ATOM 991 CZ2 TRP A 114 3.601 -5.675 0.855 1.00 0.00 C ATOM 992 CZ3 TRP A 114 1.348 -5.527 1.695 1.00 0.00 C ATOM 993 CH2 TRP A 114 2.249 -5.414 0.654 1.00 0.00 C ATOM 0 H TRP A 114 2.261 -5.906 7.785 1.00 0.00 H new ATOM 0 HA TRP A 114 1.736 -5.355 4.923 1.00 0.00 H new ATOM 0 HB2 TRP A 114 3.608 -7.021 6.371 1.00 0.00 H new ATOM 0 HB3 TRP A 114 2.488 -8.040 5.489 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.720 -7.476 4.558 1.00 0.00 H new ATOM 0 HE1 TRP A 114 6.079 -6.713 2.101 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.035 -6.163 3.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.316 -5.513 0.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.317 -5.243 1.542 1.00 0.00 H new ATOM 0 HH2 TRP A 114 1.901 -5.120 -0.325 1.00 0.00 H new ATOM 1004 N ASN A 115 -0.130 -6.506 7.187 1.00 0.00 N ATOM 1005 CA ASN A 115 -1.479 -6.924 7.422 1.00 0.00 C ATOM 1006 C ASN A 115 -2.254 -5.682 7.713 1.00 0.00 C ATOM 1007 O ASN A 115 -3.284 -5.718 8.386 1.00 0.00 O ATOM 1008 CB ASN A 115 -1.555 -7.780 8.692 1.00 0.00 C ATOM 1009 CG ASN A 115 -2.536 -8.916 8.454 1.00 0.00 C ATOM 1010 OD1 ASN A 115 -2.143 -10.038 8.138 1.00 0.00 O ATOM 1011 ND2 ASN A 115 -3.843 -8.617 8.623 1.00 0.00 N ATOM 0 H ASN A 115 0.315 -6.040 7.978 1.00 0.00 H new ATOM 0 HA ASN A 115 -1.851 -7.488 6.566 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -0.570 -8.176 8.940 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.877 -7.173 9.538 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.553 -9.337 8.488 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.120 -7.671 8.886 1.00 0.00 H new ATOM 1018 N THR A 116 -1.751 -4.534 7.216 1.00 0.00 N ATOM 1019 CA THR A 116 -2.171 -3.273 7.743 1.00 0.00 C ATOM 1020 C THR A 116 -3.570 -2.990 7.258 1.00 0.00 C ATOM 1021 O THR A 116 -3.992 -3.442 6.192 1.00 0.00 O ATOM 1022 CB THR A 116 -1.134 -2.125 7.664 1.00 0.00 C ATOM 1023 OG1 THR A 116 -0.606 -1.861 8.957 1.00 0.00 O ATOM 1024 CG2 THR A 116 -1.682 -0.728 7.327 1.00 0.00 C ATOM 0 H THR A 116 -1.066 -4.480 6.463 1.00 0.00 H new ATOM 0 HA THR A 116 -2.223 -3.342 8.830 1.00 0.00 H new ATOM 0 HB THR A 116 -0.455 -2.491 6.894 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.371 -0.912 9.027 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.861 -0.012 7.301 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.172 -0.754 6.354 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.402 -0.427 8.087 1.00 0.00 H new ATOM 1032 N ASP A 117 -4.376 -2.353 8.128 1.00 0.00 N ATOM 1033 CA ASP A 117 -5.720 -1.992 7.789 1.00 0.00 C ATOM 1034 C ASP A 117 -5.646 -0.865 6.814 1.00 0.00 C ATOM 1035 O ASP A 117 -5.692 0.290 7.213 1.00 0.00 O ATOM 1036 CB ASP A 117 -6.474 -1.504 9.033 1.00 0.00 C ATOM 1037 CG ASP A 117 -6.287 -2.532 10.140 1.00 0.00 C ATOM 1038 OD1 ASP A 117 -5.153 -2.607 10.689 1.00 0.00 O ATOM 1039 OD2 ASP A 117 -7.273 -3.252 10.450 1.00 0.00 O ATOM 0 H ASP A 117 -4.095 -2.086 9.072 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.242 -2.855 7.375 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.095 -0.532 9.350 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -7.533 -1.376 8.809 1.00 0.00 H new ATOM 1044 N ALA A 118 -5.674 -1.219 5.511 1.00 0.00 N ATOM 1045 CA ALA A 118 -5.572 -0.256 4.441 1.00 0.00 C ATOM 1046 C ALA A 118 -6.797 0.610 4.472 1.00 0.00 C ATOM 1047 O ALA A 118 -6.807 1.714 3.934 1.00 0.00 O ATOM 1048 CB ALA A 118 -5.658 -1.165 3.195 1.00 0.00 C ATOM 0 H ALA A 118 -5.768 -2.183 5.192 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.688 0.380 4.483 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.592 -0.555 2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -4.836 -1.881 3.209 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.607 -1.702 3.201 1.00 0.00 H new ATOM 1054 N ALA A 119 -7.815 0.183 5.241 1.00 0.00 N ATOM 1055 CA ALA A 119 -9.037 0.924 5.349 1.00 0.00 C ATOM 1056 C ALA A 119 -8.826 2.036 6.337 1.00 0.00 C ATOM 1057 O ALA A 119 -9.690 2.891 6.517 1.00 0.00 O ATOM 1058 CB ALA A 119 -9.848 -0.189 6.041 1.00 0.00 C ATOM 0 H ALA A 119 -7.793 -0.677 5.789 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.448 1.364 4.440 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.861 0.164 6.232 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.885 -1.067 5.396 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.372 -0.452 6.985 1.00 0.00 H new ATOM 1064 N SER A 120 -7.643 2.074 6.982 1.00 0.00 N ATOM 1065 CA SER A 120 -7.341 3.142 7.895 1.00 0.00 C ATOM 1066 C SER A 120 -6.434 4.097 7.177 1.00 0.00 C ATOM 1067 O SER A 120 -6.263 5.240 7.595 1.00 0.00 O ATOM 1068 CB SER A 120 -6.624 2.667 9.166 1.00 0.00 C ATOM 1069 OG SER A 120 -7.406 1.684 9.832 1.00 0.00 O ATOM 0 H SER A 120 -6.905 1.378 6.876 1.00 0.00 H new ATOM 0 HA SER A 120 -8.282 3.596 8.207 1.00 0.00 H new ATOM 0 HB2 SER A 120 -5.649 2.254 8.909 1.00 0.00 H new ATOM 0 HB3 SER A 120 -6.447 3.513 9.830 1.00 0.00 H new ATOM 0 HG SER A 120 -6.939 1.387 10.640 1.00 0.00 H new ATOM 1075 N LEU A 121 -5.817 3.625 6.074 1.00 0.00 N ATOM 1076 CA LEU A 121 -4.959 4.461 5.280 1.00 0.00 C ATOM 1077 C LEU A 121 -5.746 4.844 4.090 1.00 0.00 C ATOM 1078 O LEU A 121 -5.203 5.259 3.068 1.00 0.00 O ATOM 1079 CB LEU A 121 -3.716 3.713 4.785 1.00 0.00 C ATOM 1080 CG LEU A 121 -2.947 3.018 5.905 1.00 0.00 C ATOM 1081 CD1 LEU A 121 -3.042 3.764 7.241 1.00 0.00 C ATOM 1082 CD2 LEU A 121 -3.472 1.617 6.189 1.00 0.00 C ATOM 0 H LEU A 121 -5.911 2.669 5.732 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.626 5.307 5.881 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.017 2.971 4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.054 4.416 4.280 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.920 2.993 5.540 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.476 3.224 8.000 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.631 4.767 7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.086 3.832 7.546 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.891 1.167 6.994 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.519 1.674 6.486 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.382 1.006 5.291 1.00 0.00 H new ATOM 1094 N ILE A 122 -7.065 4.652 4.212 1.00 0.00 N ATOM 1095 CA ILE A 122 -7.956 4.849 3.108 1.00 0.00 C ATOM 1096 C ILE A 122 -7.982 6.308 2.781 1.00 0.00 C ATOM 1097 O ILE A 122 -8.014 7.168 3.661 1.00 0.00 O ATOM 1098 CB ILE A 122 -9.372 4.317 3.367 1.00 0.00 C ATOM 1099 CG1 ILE A 122 -10.006 3.645 2.150 1.00 0.00 C ATOM 1100 CG2 ILE A 122 -10.360 5.343 3.951 1.00 0.00 C ATOM 1101 CD1 ILE A 122 -9.576 2.192 1.944 1.00 0.00 C ATOM 0 H ILE A 122 -7.521 4.359 5.076 1.00 0.00 H new ATOM 0 HA ILE A 122 -7.583 4.272 2.262 1.00 0.00 H new ATOM 0 HB ILE A 122 -9.196 3.565 4.136 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -11.091 3.681 2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -9.751 4.218 1.258 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -11.331 4.870 4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -9.985 5.705 4.908 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -10.465 6.181 3.261 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -10.070 1.788 1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -8.495 2.148 1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -9.856 1.603 2.817 1.00 0.00 H new ATOM 1113 N GLY A 123 -7.926 6.595 1.471 1.00 0.00 N ATOM 1114 CA GLY A 123 -8.012 7.948 0.993 1.00 0.00 C ATOM 1115 C GLY A 123 -6.664 8.587 1.167 1.00 0.00 C ATOM 1116 O GLY A 123 -6.567 9.752 1.547 1.00 0.00 O ATOM 0 H GLY A 123 -7.821 5.894 0.738 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.309 7.964 -0.056 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.770 8.501 1.547 1.00 0.00 H new ATOM 1120 N GLU A 124 -5.583 7.838 0.868 1.00 0.00 N ATOM 1121 CA GLU A 124 -4.265 8.371 1.033 1.00 0.00 C ATOM 1122 C GLU A 124 -3.476 7.961 -0.172 1.00 0.00 C ATOM 1123 O GLU A 124 -3.991 7.306 -1.080 1.00 0.00 O ATOM 1124 CB GLU A 124 -3.545 7.804 2.266 1.00 0.00 C ATOM 1125 CG GLU A 124 -4.335 7.963 3.572 1.00 0.00 C ATOM 1126 CD GLU A 124 -3.799 9.175 4.322 1.00 0.00 C ATOM 1127 OE1 GLU A 124 -3.561 10.231 3.672 1.00 0.00 O ATOM 1128 OE2 GLU A 124 -3.506 9.037 5.541 1.00 0.00 O ATOM 0 H GLU A 124 -5.620 6.881 0.518 1.00 0.00 H new ATOM 0 HA GLU A 124 -4.344 9.451 1.158 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -3.342 6.746 2.102 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.581 8.301 2.373 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.396 8.090 3.359 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -4.238 7.066 4.184 1.00 0.00 H new ATOM 1135 N GLU A 125 -2.174 8.293 -0.167 1.00 0.00 N ATOM 1136 CA GLU A 125 -1.290 7.838 -1.200 1.00 0.00 C ATOM 1137 C GLU A 125 -0.269 6.972 -0.550 1.00 0.00 C ATOM 1138 O GLU A 125 0.387 7.381 0.411 1.00 0.00 O ATOM 1139 CB GLU A 125 -0.570 8.964 -1.957 1.00 0.00 C ATOM 1140 CG GLU A 125 -1.396 9.526 -3.116 1.00 0.00 C ATOM 1141 CD GLU A 125 -1.292 11.044 -3.100 1.00 0.00 C ATOM 1142 OE1 GLU A 125 -0.145 11.564 -3.075 1.00 0.00 O ATOM 1143 OE2 GLU A 125 -2.366 11.704 -3.170 1.00 0.00 O ATOM 0 H GLU A 125 -1.732 8.873 0.546 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.892 7.314 -1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -0.334 9.769 -1.261 1.00 0.00 H new ATOM 0 HB3 GLU A 125 0.378 8.588 -2.342 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -1.032 9.133 -4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -2.437 9.218 -3.022 1.00 0.00 H new ATOM 1150 N LEU A 126 -0.115 5.742 -1.074 1.00 0.00 N ATOM 1151 CA LEU A 126 0.796 4.809 -0.479 1.00 0.00 C ATOM 1152 C LEU A 126 1.969 4.663 -1.396 1.00 0.00 C ATOM 1153 O LEU A 126 1.935 5.082 -2.551 1.00 0.00 O ATOM 1154 CB LEU A 126 0.231 3.399 -0.249 1.00 0.00 C ATOM 1155 CG LEU A 126 -0.911 3.337 0.771 1.00 0.00 C ATOM 1156 CD1 LEU A 126 -0.967 1.996 1.513 1.00 0.00 C ATOM 1157 CD2 LEU A 126 -0.829 4.418 1.852 1.00 0.00 C ATOM 0 H LEU A 126 -0.611 5.396 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 126 1.041 5.216 0.502 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.125 3.003 -1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 126 1.038 2.747 0.086 1.00 0.00 H new ATOM 0 HG LEU A 126 -1.801 3.486 0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.794 2.007 2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -1.115 1.189 0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -0.031 1.837 2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.670 4.311 2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.105 4.311 2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -0.864 5.402 1.385 1.00 0.00 H new ATOM 1169 N GLN A 127 3.029 4.004 -0.893 1.00 0.00 N ATOM 1170 CA GLN A 127 4.134 3.636 -1.731 1.00 0.00 C ATOM 1171 C GLN A 127 4.523 2.248 -1.345 1.00 0.00 C ATOM 1172 O GLN A 127 4.214 1.790 -0.248 1.00 0.00 O ATOM 1173 CB GLN A 127 5.383 4.522 -1.568 1.00 0.00 C ATOM 1174 CG GLN A 127 6.211 4.668 -2.856 1.00 0.00 C ATOM 1175 CD GLN A 127 7.688 4.744 -2.488 1.00 0.00 C ATOM 1176 OE1 GLN A 127 8.225 5.822 -2.232 1.00 0.00 O ATOM 1177 NE2 GLN A 127 8.396 3.586 -2.550 1.00 0.00 N ATOM 0 H GLN A 127 3.123 3.727 0.084 1.00 0.00 H new ATOM 0 HA GLN A 127 3.805 3.743 -2.765 1.00 0.00 H new ATOM 0 HB2 GLN A 127 5.074 5.512 -1.231 1.00 0.00 H new ATOM 0 HB3 GLN A 127 6.016 4.102 -0.786 1.00 0.00 H new ATOM 0 HG2 GLN A 127 6.031 3.821 -3.518 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.911 5.565 -3.397 1.00 0.00 H new ATOM 0 HE21 GLN A 127 7.921 2.709 -2.764 1.00 0.00 H new ATOM 0 HE22 GLN A 127 9.402 3.594 -2.382 1.00 0.00 H new ATOM 1186 N VAL A 128 5.220 1.548 -2.257 1.00 0.00 N ATOM 1187 CA VAL A 128 5.792 0.280 -1.921 1.00 0.00 C ATOM 1188 C VAL A 128 7.251 0.378 -2.230 1.00 0.00 C ATOM 1189 O VAL A 128 7.653 1.070 -3.163 1.00 0.00 O ATOM 1190 CB VAL A 128 5.167 -0.899 -2.682 1.00 0.00 C ATOM 1191 CG1 VAL A 128 5.972 -2.198 -2.583 1.00 0.00 C ATOM 1192 CG2 VAL A 128 3.776 -1.283 -2.168 1.00 0.00 C ATOM 0 H VAL A 128 5.387 1.854 -3.216 1.00 0.00 H new ATOM 0 HA VAL A 128 5.601 0.073 -0.868 1.00 0.00 H new ATOM 0 HB VAL A 128 5.139 -0.521 -3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.467 -2.983 -3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 128 6.969 -2.041 -2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.054 -2.496 -1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.392 -2.122 -2.749 1.00 0.00 H new ATOM 0 HG22 VAL A 128 3.842 -1.568 -1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.102 -0.432 -2.271 1.00 0.00 H new ATOM 1202 N ASP A 129 8.079 -0.296 -1.411 1.00 0.00 N ATOM 1203 CA ASP A 129 9.501 -0.190 -1.548 1.00 0.00 C ATOM 1204 C ASP A 129 10.061 -1.562 -1.328 1.00 0.00 C ATOM 1205 O ASP A 129 9.351 -2.562 -1.432 1.00 0.00 O ATOM 1206 CB ASP A 129 10.090 0.769 -0.494 1.00 0.00 C ATOM 1207 CG ASP A 129 11.083 1.688 -1.184 1.00 0.00 C ATOM 1208 OD1 ASP A 129 12.140 1.170 -1.634 1.00 0.00 O ATOM 1209 OD2 ASP A 129 10.801 2.916 -1.252 1.00 0.00 O ATOM 0 H ASP A 129 7.768 -0.911 -0.659 1.00 0.00 H new ATOM 0 HA ASP A 129 9.753 0.201 -2.534 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.297 1.351 -0.026 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.582 0.205 0.299 1.00 0.00 H new ATOM 1214 N PHE A 130 11.361 -1.638 -0.974 1.00 0.00 N ATOM 1215 CA PHE A 130 11.978 -2.906 -0.712 1.00 0.00 C ATOM 1216 C PHE A 130 11.465 -3.398 0.613 1.00 0.00 C ATOM 1217 O PHE A 130 10.802 -2.667 1.342 1.00 0.00 O ATOM 1218 CB PHE A 130 13.509 -2.806 -0.636 1.00 0.00 C ATOM 1219 CG PHE A 130 14.017 -2.542 -2.015 1.00 0.00 C ATOM 1220 CD1 PHE A 130 14.259 -3.597 -2.902 1.00 0.00 C ATOM 1221 CD2 PHE A 130 14.271 -1.250 -2.453 1.00 0.00 C ATOM 1222 CE1 PHE A 130 14.716 -3.356 -4.184 1.00 0.00 C ATOM 1223 CE2 PHE A 130 14.724 -1.011 -3.739 1.00 0.00 C ATOM 1224 CZ PHE A 130 14.947 -2.060 -4.605 1.00 0.00 C ATOM 0 H PHE A 130 11.978 -0.832 -0.870 1.00 0.00 H new ATOM 0 HA PHE A 130 11.732 -3.585 -1.529 1.00 0.00 H new ATOM 0 HB2 PHE A 130 13.807 -2.005 0.041 1.00 0.00 H new ATOM 0 HB3 PHE A 130 13.933 -3.730 -0.243 1.00 0.00 H new ATOM 0 HD1 PHE A 130 14.086 -4.613 -2.580 1.00 0.00 H new ATOM 0 HD2 PHE A 130 14.113 -0.419 -1.781 1.00 0.00 H new ATOM 0 HE1 PHE A 130 14.893 -4.181 -4.858 1.00 0.00 H new ATOM 0 HE2 PHE A 130 14.904 0.003 -4.066 1.00 0.00 H new ATOM 0 HZ PHE A 130 15.301 -1.870 -5.608 1.00 0.00 H new ATOM 1234 N LEU A 131 11.849 -4.640 0.982 1.00 0.00 N ATOM 1235 CA LEU A 131 11.264 -5.311 2.109 1.00 0.00 C ATOM 1236 C LEU A 131 11.712 -4.639 3.369 1.00 0.00 C ATOM 1237 O LEU A 131 11.152 -4.864 4.440 1.00 0.00 O ATOM 1238 CB LEU A 131 11.657 -6.791 2.191 1.00 0.00 C ATOM 1239 CG LEU A 131 12.913 -7.157 1.389 1.00 0.00 C ATOM 1240 CD1 LEU A 131 14.192 -6.489 1.912 1.00 0.00 C ATOM 1241 CD2 LEU A 131 13.171 -8.667 1.326 1.00 0.00 C ATOM 0 H LEU A 131 12.566 -5.180 0.498 1.00 0.00 H new ATOM 0 HA LEU A 131 10.182 -5.256 1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 131 11.818 -7.054 3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 131 10.824 -7.396 1.835 1.00 0.00 H new ATOM 0 HG LEU A 131 12.691 -6.779 0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 131 15.039 -6.793 1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 131 14.081 -5.406 1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 131 14.365 -6.793 2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 131 14.073 -8.858 0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 131 13.301 -9.056 2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 131 12.323 -9.162 0.853 1.00 0.00 H new ATOM 1253 N ASP A 132 12.723 -3.777 3.252 1.00 0.00 N ATOM 1254 CA ASP A 132 13.295 -3.126 4.398 1.00 0.00 C ATOM 1255 C ASP A 132 12.221 -2.174 4.983 1.00 0.00 C ATOM 1256 O ASP A 132 12.035 -1.064 4.417 1.00 0.00 O ATOM 1257 CB ASP A 132 14.547 -2.297 4.071 1.00 0.00 C ATOM 1258 CG ASP A 132 15.504 -3.173 3.277 1.00 0.00 C ATOM 1259 OD1 ASP A 132 15.255 -3.361 2.056 1.00 0.00 O ATOM 1260 OD2 ASP A 132 16.482 -3.678 3.886 1.00 0.00 O ATOM 1261 OXT ASP A 132 11.615 -2.532 6.033 1.00 0.00 O ATOM 0 H ASP A 132 13.154 -3.522 2.364 1.00 0.00 H new ATOM 0 HA ASP A 132 13.601 -3.902 5.099 1.00 0.00 H new ATOM 0 HB2 ASP A 132 14.277 -1.411 3.496 1.00 0.00 H new ATOM 0 HB3 ASP A 132 15.022 -1.949 4.988 1.00 0.00 H new TER 1266 ASP A 132