USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 702 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 33 THR OG1 : rot -59:sc= 0.437 USER MOD Set 1.2: A 35 THR OG1 : rot -25:sc= 0.0487 USER MOD Set 2.1: A 13 ASN : amide:sc= -0.028 X(o=-0.026,f=-0.42) USER MOD Set 2.2: A 25 TYR OH : rot -157:sc= 0.00191 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 62:sc= 1.25 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 150:sc= 0.0215 USER MOD Single : A 44 THR OG1 : rot -72:sc= 0.469 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0432 USER MOD Single : A 47 GLN : amide:sc= -0.161 K(o=-0.16,f=-1) USER MOD Single : A 48 ASN : amide:sc= -0.162 K(o=-0.16,f=-1.7!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 43:sc= 1.29 USER MOD Single : A 65 GLN :FLIP amide:sc= 0 F(o=-2.1!,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -168:sc= -0.0279 (180deg=-0.224) USER MOD Single : A 74 SER OG : rot 75:sc= 0.354 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 33:sc= 0.46 USER MOD Single : A 87 SER OG : rot 41:sc= 0.184 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -7:sc= 0.645 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.662 -9.287 4.343 1.00 0.00 N ATOM 2 CA GLY A 1 -11.540 -9.171 5.276 1.00 0.00 C ATOM 3 C GLY A 1 -11.950 -9.672 6.647 1.00 0.00 C ATOM 4 O GLY A 1 -12.469 -8.886 7.442 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.372 -8.941 3.406 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.951 -10.283 4.270 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.461 -8.719 4.689 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.690 -9.747 4.909 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.217 -8.132 5.341 1.00 0.00 H new ATOM 8 N SER A 2 -11.744 -10.961 6.934 1.00 0.00 N ATOM 9 CA SER A 2 -12.117 -11.587 8.200 1.00 0.00 C ATOM 10 C SER A 2 -11.124 -12.695 8.565 1.00 0.00 C ATOM 11 O SER A 2 -10.499 -12.597 9.626 1.00 0.00 O ATOM 12 CB SER A 2 -13.560 -12.104 8.137 1.00 0.00 C ATOM 13 OG SER A 2 -14.476 -11.039 7.958 1.00 0.00 O ATOM 0 H SER A 2 -11.305 -11.608 6.279 1.00 0.00 H new ATOM 0 HA SER A 2 -12.073 -10.840 8.992 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.659 -12.815 7.317 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.797 -12.641 9.055 1.00 0.00 H new ATOM 0 HG SER A 2 -15.388 -11.395 7.919 1.00 0.00 H new ATOM 19 N SER A 3 -10.940 -13.724 7.729 1.00 0.00 N ATOM 20 CA SER A 3 -9.906 -14.721 7.992 1.00 0.00 C ATOM 21 C SER A 3 -8.509 -14.139 7.775 1.00 0.00 C ATOM 22 O SER A 3 -8.271 -13.377 6.831 1.00 0.00 O ATOM 23 CB SER A 3 -10.072 -15.952 7.094 1.00 0.00 C ATOM 24 OG SER A 3 -10.709 -17.033 7.749 1.00 0.00 O ATOM 0 H SER A 3 -11.484 -13.883 6.881 1.00 0.00 H new ATOM 0 HA SER A 3 -10.018 -15.020 9.034 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.651 -15.676 6.213 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.091 -16.274 6.743 1.00 0.00 H new ATOM 0 HG SER A 3 -10.790 -17.789 7.130 1.00 0.00 H new ATOM 30 N GLY A 4 -7.576 -14.586 8.612 1.00 0.00 N ATOM 31 CA GLY A 4 -6.162 -14.561 8.307 1.00 0.00 C ATOM 32 C GLY A 4 -5.869 -15.650 7.277 1.00 0.00 C ATOM 33 O GLY A 4 -6.525 -16.698 7.266 1.00 0.00 O ATOM 0 H GLY A 4 -7.791 -14.978 9.529 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.876 -13.584 7.917 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.576 -14.727 9.211 1.00 0.00 H new ATOM 37 N SER A 5 -4.888 -15.412 6.415 1.00 0.00 N ATOM 38 CA SER A 5 -4.417 -16.378 5.436 1.00 0.00 C ATOM 39 C SER A 5 -2.976 -16.027 5.068 1.00 0.00 C ATOM 40 O SER A 5 -2.528 -14.898 5.298 1.00 0.00 O ATOM 41 CB SER A 5 -5.359 -16.404 4.217 1.00 0.00 C ATOM 42 OG SER A 5 -6.023 -15.171 3.970 1.00 0.00 O ATOM 0 H SER A 5 -4.389 -14.523 6.378 1.00 0.00 H new ATOM 0 HA SER A 5 -4.426 -17.387 5.848 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.784 -16.678 3.333 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.106 -17.183 4.365 1.00 0.00 H new ATOM 0 HG SER A 5 -6.600 -15.262 3.183 1.00 0.00 H new ATOM 48 N SER A 6 -2.236 -16.996 4.530 1.00 0.00 N ATOM 49 CA SER A 6 -0.844 -16.819 4.157 1.00 0.00 C ATOM 50 C SER A 6 -0.717 -16.019 2.864 1.00 0.00 C ATOM 51 O SER A 6 -1.188 -16.473 1.817 1.00 0.00 O ATOM 52 CB SER A 6 -0.179 -18.188 4.033 1.00 0.00 C ATOM 53 OG SER A 6 -0.271 -18.904 5.254 1.00 0.00 O ATOM 0 H SER A 6 -2.595 -17.932 4.342 1.00 0.00 H new ATOM 0 HA SER A 6 -0.335 -16.248 4.934 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.655 -18.758 3.235 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.868 -18.065 3.756 1.00 0.00 H new ATOM 0 HG SER A 6 0.159 -19.779 5.153 1.00 0.00 H new ATOM 59 N GLY A 7 -0.029 -14.877 2.904 1.00 0.00 N ATOM 60 CA GLY A 7 0.646 -14.331 1.738 1.00 0.00 C ATOM 61 C GLY A 7 0.599 -12.814 1.730 1.00 0.00 C ATOM 62 O GLY A 7 -0.442 -12.250 2.038 1.00 0.00 O ATOM 0 H GLY A 7 0.073 -14.310 3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.684 -14.664 1.727 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.178 -14.716 0.832 1.00 0.00 H new ATOM 66 N PHE A 8 1.648 -12.171 1.213 1.00 0.00 N ATOM 67 CA PHE A 8 1.947 -10.741 1.260 1.00 0.00 C ATOM 68 C PHE A 8 0.737 -9.804 1.229 1.00 0.00 C ATOM 69 O PHE A 8 0.644 -8.892 2.046 1.00 0.00 O ATOM 70 CB PHE A 8 2.890 -10.409 0.099 1.00 0.00 C ATOM 71 CG PHE A 8 3.310 -8.955 0.072 1.00 0.00 C ATOM 72 CD1 PHE A 8 4.302 -8.505 0.961 1.00 0.00 C ATOM 73 CD2 PHE A 8 2.697 -8.047 -0.815 1.00 0.00 C ATOM 74 CE1 PHE A 8 4.686 -7.153 0.961 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.114 -6.708 -0.847 1.00 0.00 C ATOM 76 CZ PHE A 8 4.102 -6.260 0.048 1.00 0.00 C ATOM 0 H PHE A 8 2.371 -12.683 0.708 1.00 0.00 H new ATOM 0 HA PHE A 8 2.403 -10.561 2.234 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.779 -11.036 0.170 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.399 -10.657 -0.842 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.769 -9.199 1.644 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.906 -8.382 -1.470 1.00 0.00 H new ATOM 0 HE1 PHE A 8 5.429 -6.802 1.662 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.677 -6.022 -1.558 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.413 -5.226 0.033 1.00 0.00 H new ATOM 86 N LYS A 9 -0.173 -9.977 0.268 1.00 0.00 N ATOM 87 CA LYS A 9 -1.335 -9.110 0.084 1.00 0.00 C ATOM 88 C LYS A 9 -2.247 -9.103 1.323 1.00 0.00 C ATOM 89 O LYS A 9 -2.917 -8.103 1.578 1.00 0.00 O ATOM 90 CB LYS A 9 -2.066 -9.599 -1.179 1.00 0.00 C ATOM 91 CG LYS A 9 -3.234 -8.731 -1.671 1.00 0.00 C ATOM 92 CD LYS A 9 -3.729 -9.207 -3.049 1.00 0.00 C ATOM 93 CE LYS A 9 -2.767 -8.745 -4.150 1.00 0.00 C ATOM 94 NZ LYS A 9 -3.059 -9.305 -5.485 1.00 0.00 N ATOM 0 H LYS A 9 -0.121 -10.735 -0.413 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.023 -8.073 -0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.337 -9.680 -1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.444 -10.604 -0.988 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.052 -8.773 -0.952 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.918 -7.690 -1.733 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.808 -10.294 -3.059 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.727 -8.813 -3.240 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.798 -7.657 -4.210 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.751 -9.020 -3.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.366 -8.945 -6.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.002 -10.343 -5.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.016 -9.022 -5.778 1.00 0.00 H new ATOM 108 N ALA A 10 -2.290 -10.190 2.097 1.00 0.00 N ATOM 109 CA ALA A 10 -2.934 -10.267 3.396 1.00 0.00 C ATOM 110 C ALA A 10 -2.173 -9.395 4.380 1.00 0.00 C ATOM 111 O ALA A 10 -2.731 -8.413 4.857 1.00 0.00 O ATOM 112 CB ALA A 10 -3.008 -11.722 3.869 1.00 0.00 C ATOM 0 H ALA A 10 -1.858 -11.071 1.819 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.957 -9.898 3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.493 -11.763 4.844 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.583 -12.309 3.152 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.001 -12.131 3.947 1.00 0.00 H new ATOM 118 N GLU A 11 -0.911 -9.733 4.656 1.00 0.00 N ATOM 119 CA GLU A 11 -0.042 -9.026 5.594 1.00 0.00 C ATOM 120 C GLU A 11 -0.096 -7.509 5.379 1.00 0.00 C ATOM 121 O GLU A 11 -0.183 -6.736 6.332 1.00 0.00 O ATOM 122 CB GLU A 11 1.416 -9.465 5.424 1.00 0.00 C ATOM 123 CG GLU A 11 1.873 -10.837 5.898 1.00 0.00 C ATOM 124 CD GLU A 11 1.332 -12.003 5.082 1.00 0.00 C ATOM 125 OE1 GLU A 11 0.174 -12.399 5.353 1.00 0.00 O ATOM 126 OE2 GLU A 11 2.068 -12.555 4.235 1.00 0.00 O ATOM 0 H GLU A 11 -0.453 -10.532 4.218 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.402 -9.271 6.593 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.650 -9.398 4.361 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.035 -8.727 5.934 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.962 -10.870 5.876 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.571 -10.967 6.937 1.00 0.00 H new ATOM 133 N LEU A 12 -0.018 -7.080 4.117 1.00 0.00 N ATOM 134 CA LEU A 12 0.038 -5.676 3.757 1.00 0.00 C ATOM 135 C LEU A 12 -1.320 -4.997 3.913 1.00 0.00 C ATOM 136 O LEU A 12 -1.364 -3.830 4.296 1.00 0.00 O ATOM 137 CB LEU A 12 0.559 -5.519 2.323 1.00 0.00 C ATOM 138 CG LEU A 12 1.202 -4.133 2.122 1.00 0.00 C ATOM 139 CD1 LEU A 12 2.587 -4.003 2.774 1.00 0.00 C ATOM 140 CD2 LEU A 12 1.332 -3.855 0.634 1.00 0.00 C ATOM 0 H LEU A 12 0.008 -7.709 3.315 1.00 0.00 H new ATOM 0 HA LEU A 12 0.728 -5.183 4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.291 -6.298 2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.261 -5.650 1.617 1.00 0.00 H new ATOM 0 HG LEU A 12 0.549 -3.409 2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.982 -3.003 2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.501 -4.171 3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.262 -4.742 2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.786 -2.875 0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.959 -4.619 0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.344 -3.870 0.173 1.00 0.00 H new ATOM 152 N ASN A 13 -2.421 -5.699 3.621 1.00 0.00 N ATOM 153 CA ASN A 13 -3.754 -5.135 3.828 1.00 0.00 C ATOM 154 C ASN A 13 -4.006 -4.949 5.315 1.00 0.00 C ATOM 155 O ASN A 13 -4.512 -3.909 5.736 1.00 0.00 O ATOM 156 CB ASN A 13 -4.836 -6.039 3.236 1.00 0.00 C ATOM 157 CG ASN A 13 -6.227 -5.443 3.460 1.00 0.00 C ATOM 158 OD1 ASN A 13 -6.703 -4.652 2.658 1.00 0.00 O ATOM 159 ND2 ASN A 13 -6.926 -5.813 4.521 1.00 0.00 N ATOM 0 H ASN A 13 -2.414 -6.647 3.245 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.797 -4.171 3.321 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.660 -6.172 2.168 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.781 -7.027 3.694 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.863 -5.438 4.671 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.528 -6.473 5.189 1.00 0.00 H new ATOM 166 N GLU A 14 -3.657 -5.969 6.098 1.00 0.00 N ATOM 167 CA GLU A 14 -3.725 -5.938 7.557 1.00 0.00 C ATOM 168 C GLU A 14 -2.984 -4.712 8.093 1.00 0.00 C ATOM 169 O GLU A 14 -3.601 -3.896 8.779 1.00 0.00 O ATOM 170 CB GLU A 14 -3.162 -7.233 8.174 1.00 0.00 C ATOM 171 CG GLU A 14 -4.041 -8.469 7.948 1.00 0.00 C ATOM 172 CD GLU A 14 -5.244 -8.547 8.891 1.00 0.00 C ATOM 173 OE1 GLU A 14 -5.944 -7.522 9.079 1.00 0.00 O ATOM 174 OE2 GLU A 14 -5.536 -9.671 9.360 1.00 0.00 O ATOM 0 H GLU A 14 -3.313 -6.855 5.729 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.773 -5.868 7.847 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.174 -7.422 7.755 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.031 -7.085 9.246 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.397 -8.468 6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.433 -9.365 8.074 1.00 0.00 H new ATOM 181 N PHE A 15 -1.707 -4.562 7.730 1.00 0.00 N ATOM 182 CA PHE A 15 -0.852 -3.429 8.068 1.00 0.00 C ATOM 183 C PHE A 15 -1.561 -2.115 7.723 1.00 0.00 C ATOM 184 O PHE A 15 -1.909 -1.330 8.604 1.00 0.00 O ATOM 185 CB PHE A 15 0.488 -3.632 7.332 1.00 0.00 C ATOM 186 CG PHE A 15 1.549 -2.565 7.518 1.00 0.00 C ATOM 187 CD1 PHE A 15 2.472 -2.656 8.574 1.00 0.00 C ATOM 188 CD2 PHE A 15 1.669 -1.517 6.588 1.00 0.00 C ATOM 189 CE1 PHE A 15 3.493 -1.699 8.713 1.00 0.00 C ATOM 190 CE2 PHE A 15 2.692 -0.565 6.720 1.00 0.00 C ATOM 191 CZ PHE A 15 3.605 -0.654 7.782 1.00 0.00 C ATOM 0 H PHE A 15 -1.222 -5.261 7.167 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.646 -3.371 9.137 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.908 -4.586 7.652 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.278 -3.718 6.266 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.397 -3.467 9.284 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.970 -1.444 5.768 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.190 -1.768 9.535 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.777 0.238 6.003 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.392 0.079 7.883 1.00 0.00 H new ATOM 201 N LEU A 16 -1.840 -1.892 6.438 1.00 0.00 N ATOM 202 CA LEU A 16 -2.385 -0.636 5.931 1.00 0.00 C ATOM 203 C LEU A 16 -3.732 -0.273 6.548 1.00 0.00 C ATOM 204 O LEU A 16 -4.007 0.915 6.707 1.00 0.00 O ATOM 205 CB LEU A 16 -2.544 -0.727 4.416 1.00 0.00 C ATOM 206 CG LEU A 16 -1.220 -0.632 3.648 1.00 0.00 C ATOM 207 CD1 LEU A 16 -1.377 -1.128 2.212 1.00 0.00 C ATOM 208 CD2 LEU A 16 -0.740 0.819 3.599 1.00 0.00 C ATOM 0 H LEU A 16 -1.691 -2.591 5.710 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.680 0.147 6.208 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.031 -1.670 4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.206 0.072 4.081 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.496 -1.256 4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.422 -1.048 1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.700 -2.169 2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.122 -0.521 1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.201 0.873 3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.488 1.433 3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.590 1.187 4.614 1.00 0.00 H new ATOM 220 N THR A 17 -4.548 -1.263 6.919 1.00 0.00 N ATOM 221 CA THR A 17 -5.823 -1.039 7.589 1.00 0.00 C ATOM 222 C THR A 17 -5.641 -0.208 8.868 1.00 0.00 C ATOM 223 O THR A 17 -6.513 0.601 9.188 1.00 0.00 O ATOM 224 CB THR A 17 -6.478 -2.403 7.868 1.00 0.00 C ATOM 225 OG1 THR A 17 -6.864 -3.018 6.650 1.00 0.00 O ATOM 226 CG2 THR A 17 -7.675 -2.329 8.812 1.00 0.00 C ATOM 0 H THR A 17 -4.337 -2.248 6.760 1.00 0.00 H new ATOM 0 HA THR A 17 -6.483 -0.458 6.944 1.00 0.00 H new ATOM 0 HB THR A 17 -5.722 -3.004 8.374 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.070 -3.176 6.098 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.083 -3.329 8.961 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.357 -1.920 9.771 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.441 -1.685 8.379 1.00 0.00 H new ATOM 234 N ARG A 18 -4.539 -0.407 9.599 1.00 0.00 N ATOM 235 CA ARG A 18 -4.211 0.381 10.779 1.00 0.00 C ATOM 236 C ARG A 18 -3.418 1.605 10.338 1.00 0.00 C ATOM 237 O ARG A 18 -3.777 2.722 10.703 1.00 0.00 O ATOM 238 CB ARG A 18 -3.378 -0.448 11.765 1.00 0.00 C ATOM 239 CG ARG A 18 -4.096 -1.562 12.539 1.00 0.00 C ATOM 240 CD ARG A 18 -4.422 -2.766 11.654 1.00 0.00 C ATOM 241 NE ARG A 18 -4.745 -3.969 12.436 1.00 0.00 N ATOM 242 CZ ARG A 18 -5.104 -5.149 11.918 1.00 0.00 C ATOM 243 NH1 ARG A 18 -5.232 -5.313 10.606 1.00 0.00 N ATOM 244 NH2 ARG A 18 -5.349 -6.162 12.737 1.00 0.00 N ATOM 0 H ARG A 18 -3.849 -1.126 9.382 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.130 0.686 11.280 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.554 -0.900 11.212 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.938 0.236 12.491 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.470 -1.884 13.371 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.018 -1.168 12.967 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.264 -2.520 11.007 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.572 -2.976 11.005 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.691 -3.898 13.452 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.056 -4.531 9.975 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.507 -6.220 10.230 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.263 -6.035 13.745 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.624 -7.069 12.359 1.00 0.00 H new ATOM 258 N GLU A 19 -2.340 1.418 9.570 1.00 0.00 N ATOM 259 CA GLU A 19 -1.415 2.484 9.206 1.00 0.00 C ATOM 260 C GLU A 19 -2.065 3.658 8.451 1.00 0.00 C ATOM 261 O GLU A 19 -1.485 4.746 8.453 1.00 0.00 O ATOM 262 CB GLU A 19 -0.233 1.892 8.416 1.00 0.00 C ATOM 263 CG GLU A 19 1.002 1.606 9.273 1.00 0.00 C ATOM 264 CD GLU A 19 0.882 0.587 10.416 1.00 0.00 C ATOM 265 OE1 GLU A 19 0.362 -0.540 10.241 1.00 0.00 O ATOM 266 OE2 GLU A 19 1.467 0.862 11.487 1.00 0.00 O ATOM 0 H GLU A 19 -2.087 0.510 9.181 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.057 2.921 10.138 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.555 0.966 7.939 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.042 2.583 7.619 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.795 1.266 8.608 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.332 2.551 9.705 1.00 0.00 H new ATOM 273 N LEU A 20 -3.238 3.484 7.828 1.00 0.00 N ATOM 274 CA LEU A 20 -4.002 4.535 7.150 1.00 0.00 C ATOM 275 C LEU A 20 -5.481 4.529 7.563 1.00 0.00 C ATOM 276 O LEU A 20 -6.342 4.985 6.800 1.00 0.00 O ATOM 277 CB LEU A 20 -3.831 4.375 5.637 1.00 0.00 C ATOM 278 CG LEU A 20 -2.401 4.651 5.151 1.00 0.00 C ATOM 279 CD1 LEU A 20 -2.342 4.178 3.708 1.00 0.00 C ATOM 280 CD2 LEU A 20 -2.002 6.131 5.231 1.00 0.00 C ATOM 0 H LEU A 20 -3.696 2.574 7.782 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.613 5.507 7.452 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.114 3.362 5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.517 5.052 5.128 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.698 4.125 5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.342 4.351 3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.571 3.113 3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.070 4.730 3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.980 6.252 4.872 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.676 6.724 4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.066 6.470 6.265 1.00 0.00 H new ATOM 292 N ALA A 21 -5.772 4.018 8.763 1.00 0.00 N ATOM 293 CA ALA A 21 -7.102 3.902 9.347 1.00 0.00 C ATOM 294 C ALA A 21 -7.907 5.197 9.198 1.00 0.00 C ATOM 295 O ALA A 21 -8.944 5.203 8.532 1.00 0.00 O ATOM 296 CB ALA A 21 -6.962 3.513 10.825 1.00 0.00 C ATOM 0 H ALA A 21 -5.045 3.657 9.381 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.653 3.129 8.812 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.952 3.423 11.273 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.441 2.559 10.902 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.394 4.280 11.351 1.00 0.00 H new ATOM 302 N GLU A 22 -7.451 6.293 9.808 1.00 0.00 N ATOM 303 CA GLU A 22 -8.140 7.581 9.736 1.00 0.00 C ATOM 304 C GLU A 22 -7.969 8.203 8.359 1.00 0.00 C ATOM 305 O GLU A 22 -8.817 8.988 7.933 1.00 0.00 O ATOM 306 CB GLU A 22 -7.570 8.585 10.747 1.00 0.00 C ATOM 307 CG GLU A 22 -7.824 8.174 12.195 1.00 0.00 C ATOM 308 CD GLU A 22 -7.368 9.244 13.190 1.00 0.00 C ATOM 309 OE1 GLU A 22 -6.303 9.883 12.984 1.00 0.00 O ATOM 310 OE2 GLU A 22 -8.107 9.461 14.183 1.00 0.00 O ATOM 0 H GLU A 22 -6.596 6.312 10.364 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.189 7.380 9.953 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.497 8.687 10.586 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.013 9.565 10.569 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.888 7.981 12.334 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.301 7.241 12.403 1.00 0.00 H new ATOM 317 N ASP A 23 -6.851 7.920 7.687 1.00 0.00 N ATOM 318 CA ASP A 23 -6.465 8.632 6.472 1.00 0.00 C ATOM 319 C ASP A 23 -7.450 8.388 5.354 1.00 0.00 C ATOM 320 O ASP A 23 -7.611 9.274 4.510 1.00 0.00 O ATOM 321 CB ASP A 23 -5.070 8.247 5.981 1.00 0.00 C ATOM 322 CG ASP A 23 -4.021 8.835 6.931 1.00 0.00 C ATOM 323 OD1 ASP A 23 -3.775 10.061 6.863 1.00 0.00 O ATOM 324 OD2 ASP A 23 -3.559 8.106 7.837 1.00 0.00 O ATOM 0 H ASP A 23 -6.192 7.194 7.970 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.460 9.688 6.741 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.973 7.162 5.939 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.912 8.620 4.969 1.00 0.00 H new ATOM 329 N GLY A 24 -8.093 7.215 5.344 1.00 0.00 N ATOM 330 CA GLY A 24 -9.166 6.926 4.412 1.00 0.00 C ATOM 331 C GLY A 24 -8.913 5.719 3.519 1.00 0.00 C ATOM 332 O GLY A 24 -9.292 5.757 2.348 1.00 0.00 O ATOM 0 H GLY A 24 -7.879 6.449 5.982 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.085 6.761 4.974 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.330 7.801 3.783 1.00 0.00 H new ATOM 336 N TYR A 25 -8.233 4.689 4.026 1.00 0.00 N ATOM 337 CA TYR A 25 -7.818 3.489 3.300 1.00 0.00 C ATOM 338 C TYR A 25 -8.991 2.723 2.642 1.00 0.00 C ATOM 339 O TYR A 25 -10.171 3.012 2.877 1.00 0.00 O ATOM 340 CB TYR A 25 -7.055 2.615 4.316 1.00 0.00 C ATOM 341 CG TYR A 25 -6.409 1.374 3.734 1.00 0.00 C ATOM 342 CD1 TYR A 25 -5.433 1.496 2.727 1.00 0.00 C ATOM 343 CD2 TYR A 25 -6.819 0.099 4.166 1.00 0.00 C ATOM 344 CE1 TYR A 25 -4.862 0.347 2.151 1.00 0.00 C ATOM 345 CE2 TYR A 25 -6.229 -1.054 3.625 1.00 0.00 C ATOM 346 CZ TYR A 25 -5.247 -0.931 2.621 1.00 0.00 C ATOM 347 OH TYR A 25 -4.655 -2.048 2.131 1.00 0.00 O ATOM 0 H TYR A 25 -7.943 4.669 5.004 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.186 3.768 2.457 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.282 3.222 4.787 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.746 2.312 5.103 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.122 2.476 2.395 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.590 0.007 4.916 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -4.136 0.439 1.357 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.526 -2.031 3.976 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.248 -2.817 2.263 1.00 0.00 H new ATOM 357 N SER A 26 -8.662 1.722 1.820 1.00 0.00 N ATOM 358 CA SER A 26 -9.595 0.765 1.238 1.00 0.00 C ATOM 359 C SER A 26 -8.948 -0.619 1.217 1.00 0.00 C ATOM 360 O SER A 26 -9.469 -1.581 1.791 1.00 0.00 O ATOM 361 CB SER A 26 -9.977 1.192 -0.194 1.00 0.00 C ATOM 362 OG SER A 26 -11.247 0.667 -0.534 1.00 0.00 O ATOM 0 H SER A 26 -7.698 1.553 1.533 1.00 0.00 H new ATOM 0 HA SER A 26 -10.502 0.734 1.842 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.993 2.280 -0.266 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.227 0.837 -0.900 1.00 0.00 H new ATOM 0 HG SER A 26 -11.483 0.944 -1.444 1.00 0.00 H new ATOM 368 N GLY A 27 -7.830 -0.720 0.503 1.00 0.00 N ATOM 369 CA GLY A 27 -7.178 -1.942 0.078 1.00 0.00 C ATOM 370 C GLY A 27 -5.905 -1.541 -0.663 1.00 0.00 C ATOM 371 O GLY A 27 -5.499 -0.374 -0.656 1.00 0.00 O ATOM 0 H GLY A 27 -7.327 0.109 0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.941 -2.570 0.937 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.834 -2.522 -0.571 1.00 0.00 H new ATOM 375 N VAL A 28 -5.231 -2.499 -1.280 1.00 0.00 N ATOM 376 CA VAL A 28 -3.913 -2.273 -1.848 1.00 0.00 C ATOM 377 C VAL A 28 -3.725 -3.206 -3.041 1.00 0.00 C ATOM 378 O VAL A 28 -4.195 -4.350 -3.017 1.00 0.00 O ATOM 379 CB VAL A 28 -2.878 -2.474 -0.723 1.00 0.00 C ATOM 380 CG1 VAL A 28 -2.948 -3.854 -0.029 1.00 0.00 C ATOM 381 CG2 VAL A 28 -1.462 -2.176 -1.208 1.00 0.00 C ATOM 0 H VAL A 28 -5.581 -3.450 -1.400 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.786 -1.260 -2.230 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.149 -1.748 0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.186 -3.909 0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.933 -3.987 0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.775 -4.640 -0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.758 -2.328 -0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.211 -2.845 -2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.404 -1.142 -1.550 1.00 0.00 H new ATOM 391 N GLU A 29 -3.013 -2.745 -4.062 1.00 0.00 N ATOM 392 CA GLU A 29 -2.526 -3.541 -5.179 1.00 0.00 C ATOM 393 C GLU A 29 -1.013 -3.713 -5.009 1.00 0.00 C ATOM 394 O GLU A 29 -0.326 -2.881 -4.405 1.00 0.00 O ATOM 395 CB GLU A 29 -2.915 -2.885 -6.524 1.00 0.00 C ATOM 396 CG GLU A 29 -4.382 -3.211 -6.862 1.00 0.00 C ATOM 397 CD GLU A 29 -4.946 -2.486 -8.097 1.00 0.00 C ATOM 398 OE1 GLU A 29 -4.283 -2.435 -9.162 1.00 0.00 O ATOM 399 OE2 GLU A 29 -6.126 -2.061 -8.035 1.00 0.00 O ATOM 0 H GLU A 29 -2.748 -1.763 -4.136 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.987 -4.528 -5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.778 -1.805 -6.465 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.261 -3.247 -7.317 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.472 -4.286 -7.019 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.001 -2.962 -6.000 1.00 0.00 H new ATOM 406 N VAL A 30 -0.494 -4.827 -5.516 1.00 0.00 N ATOM 407 CA VAL A 30 0.917 -5.188 -5.530 1.00 0.00 C ATOM 408 C VAL A 30 1.273 -5.530 -6.963 1.00 0.00 C ATOM 409 O VAL A 30 0.479 -6.162 -7.671 1.00 0.00 O ATOM 410 CB VAL A 30 1.216 -6.359 -4.560 1.00 0.00 C ATOM 411 CG1 VAL A 30 0.317 -7.584 -4.739 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.690 -6.794 -4.566 1.00 0.00 C ATOM 0 H VAL A 30 -1.080 -5.540 -5.951 1.00 0.00 H new ATOM 0 HA VAL A 30 1.530 -4.357 -5.179 1.00 0.00 H new ATOM 0 HB VAL A 30 0.983 -5.931 -3.585 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.600 -8.351 -4.018 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.723 -7.299 -4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.433 -7.976 -5.750 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.829 -7.617 -3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.969 -7.119 -5.568 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.318 -5.954 -4.269 1.00 0.00 H new ATOM 422 N ARG A 31 2.485 -5.158 -7.357 1.00 0.00 N ATOM 423 CA ARG A 31 3.125 -5.606 -8.575 1.00 0.00 C ATOM 424 C ARG A 31 4.546 -6.005 -8.226 1.00 0.00 C ATOM 425 O ARG A 31 5.136 -5.532 -7.253 1.00 0.00 O ATOM 426 CB ARG A 31 3.073 -4.486 -9.617 1.00 0.00 C ATOM 427 CG ARG A 31 1.765 -4.528 -10.407 1.00 0.00 C ATOM 428 CD ARG A 31 1.664 -3.252 -11.229 1.00 0.00 C ATOM 429 NE ARG A 31 0.601 -3.341 -12.231 1.00 0.00 N ATOM 430 CZ ARG A 31 0.255 -2.333 -13.031 1.00 0.00 C ATOM 431 NH1 ARG A 31 0.948 -1.201 -13.032 1.00 0.00 N ATOM 432 NH2 ARG A 31 -0.779 -2.446 -13.851 1.00 0.00 N ATOM 0 H ARG A 31 3.063 -4.515 -6.816 1.00 0.00 H new ATOM 0 HA ARG A 31 2.615 -6.467 -9.008 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.171 -3.520 -9.122 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.917 -4.581 -10.300 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.742 -5.402 -11.058 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.915 -4.612 -9.730 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.472 -2.407 -10.568 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.616 -3.060 -11.724 1.00 0.00 H new ATOM 0 HE ARG A 31 0.097 -4.223 -12.322 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.754 -1.096 -12.416 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.674 -0.436 -13.649 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.319 -3.311 -13.874 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.035 -1.668 -14.459 1.00 0.00 H new ATOM 446 N VAL A 32 5.080 -6.912 -9.023 1.00 0.00 N ATOM 447 CA VAL A 32 6.381 -7.527 -8.870 1.00 0.00 C ATOM 448 C VAL A 32 6.909 -7.602 -10.296 1.00 0.00 C ATOM 449 O VAL A 32 6.244 -8.188 -11.159 1.00 0.00 O ATOM 450 CB VAL A 32 6.214 -8.902 -8.186 1.00 0.00 C ATOM 451 CG1 VAL A 32 7.510 -9.715 -8.214 1.00 0.00 C ATOM 452 CG2 VAL A 32 5.761 -8.779 -6.724 1.00 0.00 C ATOM 0 H VAL A 32 4.584 -7.259 -9.844 1.00 0.00 H new ATOM 0 HA VAL A 32 7.080 -6.982 -8.235 1.00 0.00 H new ATOM 0 HB VAL A 32 5.442 -9.415 -8.760 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.348 -10.674 -7.723 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.812 -9.883 -9.248 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.294 -9.167 -7.691 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.659 -9.774 -6.290 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.501 -8.211 -6.160 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.801 -8.265 -6.683 1.00 0.00 H new ATOM 462 N THR A 33 8.027 -6.941 -10.569 1.00 0.00 N ATOM 463 CA THR A 33 8.615 -6.858 -11.898 1.00 0.00 C ATOM 464 C THR A 33 10.020 -7.473 -11.832 1.00 0.00 C ATOM 465 O THR A 33 10.536 -7.697 -10.727 1.00 0.00 O ATOM 466 CB THR A 33 8.572 -5.387 -12.377 1.00 0.00 C ATOM 467 OG1 THR A 33 9.545 -4.591 -11.722 1.00 0.00 O ATOM 468 CG2 THR A 33 7.173 -4.778 -12.211 1.00 0.00 C ATOM 0 H THR A 33 8.560 -6.439 -9.859 1.00 0.00 H new ATOM 0 HA THR A 33 8.058 -7.426 -12.643 1.00 0.00 H new ATOM 0 HB THR A 33 8.811 -5.396 -13.441 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.394 -4.620 -10.754 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.182 -3.745 -12.558 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.455 -5.351 -12.797 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.887 -4.805 -11.160 1.00 0.00 H new ATOM 476 N PRO A 34 10.705 -7.694 -12.971 1.00 0.00 N ATOM 477 CA PRO A 34 12.081 -8.183 -12.963 1.00 0.00 C ATOM 478 C PRO A 34 13.077 -7.134 -12.446 1.00 0.00 C ATOM 479 O PRO A 34 14.283 -7.350 -12.553 1.00 0.00 O ATOM 480 CB PRO A 34 12.379 -8.620 -14.402 1.00 0.00 C ATOM 481 CG PRO A 34 11.435 -7.768 -15.244 1.00 0.00 C ATOM 482 CD PRO A 34 10.230 -7.524 -14.339 1.00 0.00 C ATOM 0 HA PRO A 34 12.194 -9.018 -12.271 1.00 0.00 H new ATOM 0 HB2 PRO A 34 13.421 -8.442 -14.666 1.00 0.00 H new ATOM 0 HB3 PRO A 34 12.191 -9.684 -14.544 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.905 -6.830 -15.541 1.00 0.00 H new ATOM 0 HG3 PRO A 34 11.146 -8.283 -16.160 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.827 -6.522 -14.489 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.427 -8.227 -14.562 1.00 0.00 H new ATOM 490 N THR A 35 12.624 -5.998 -11.906 1.00 0.00 N ATOM 491 CA THR A 35 13.509 -5.013 -11.312 1.00 0.00 C ATOM 492 C THR A 35 13.127 -4.773 -9.849 1.00 0.00 C ATOM 493 O THR A 35 13.982 -4.961 -8.976 1.00 0.00 O ATOM 494 CB THR A 35 13.578 -3.748 -12.182 1.00 0.00 C ATOM 495 OG1 THR A 35 12.340 -3.056 -12.229 1.00 0.00 O ATOM 496 CG2 THR A 35 14.037 -4.036 -13.616 1.00 0.00 C ATOM 0 H THR A 35 11.637 -5.744 -11.872 1.00 0.00 H new ATOM 0 HA THR A 35 14.531 -5.391 -11.287 1.00 0.00 H new ATOM 0 HB THR A 35 14.323 -3.117 -11.697 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.608 -3.683 -12.053 1.00 0.00 H new ATOM 0 HG21 THR A 35 14.066 -3.105 -14.182 1.00 0.00 H new ATOM 0 HG22 THR A 35 15.032 -4.481 -13.597 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.340 -4.727 -14.089 1.00 0.00 H new ATOM 504 N ARG A 36 11.876 -4.392 -9.554 1.00 0.00 N ATOM 505 CA ARG A 36 11.452 -4.003 -8.210 1.00 0.00 C ATOM 506 C ARG A 36 10.060 -4.530 -7.887 1.00 0.00 C ATOM 507 O ARG A 36 9.348 -5.042 -8.750 1.00 0.00 O ATOM 508 CB ARG A 36 11.554 -2.473 -8.047 1.00 0.00 C ATOM 509 CG ARG A 36 10.611 -1.631 -8.926 1.00 0.00 C ATOM 510 CD ARG A 36 10.925 -0.131 -8.779 1.00 0.00 C ATOM 511 NE ARG A 36 12.216 0.206 -9.406 1.00 0.00 N ATOM 512 CZ ARG A 36 12.815 1.399 -9.458 1.00 0.00 C ATOM 513 NH1 ARG A 36 12.334 2.451 -8.817 1.00 0.00 N ATOM 514 NH2 ARG A 36 13.911 1.540 -10.186 1.00 0.00 N ATOM 0 H ARG A 36 11.129 -4.346 -10.247 1.00 0.00 H new ATOM 0 HA ARG A 36 12.124 -4.461 -7.485 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.361 -2.226 -7.003 1.00 0.00 H new ATOM 0 HB3 ARG A 36 12.580 -2.173 -8.261 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.715 -1.929 -9.969 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.576 -1.820 -8.643 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.130 0.457 -9.238 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.950 0.137 -7.723 1.00 0.00 H new ATOM 0 HE ARG A 36 12.712 -0.565 -9.854 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.482 2.365 -8.263 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.815 3.348 -8.877 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.289 0.743 -10.699 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.378 2.445 -10.234 1.00 0.00 H new ATOM 528 N THR A 37 9.674 -4.393 -6.630 1.00 0.00 N ATOM 529 CA THR A 37 8.297 -4.469 -6.197 1.00 0.00 C ATOM 530 C THR A 37 7.715 -3.065 -6.333 1.00 0.00 C ATOM 531 O THR A 37 8.420 -2.067 -6.164 1.00 0.00 O ATOM 532 CB THR A 37 8.249 -4.945 -4.737 1.00 0.00 C ATOM 533 OG1 THR A 37 9.139 -6.034 -4.554 1.00 0.00 O ATOM 534 CG2 THR A 37 6.830 -5.381 -4.348 1.00 0.00 C ATOM 0 H THR A 37 10.329 -4.222 -5.867 1.00 0.00 H new ATOM 0 HA THR A 37 7.722 -5.175 -6.795 1.00 0.00 H new ATOM 0 HB THR A 37 8.547 -4.112 -4.100 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.476 -6.030 -3.634 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.823 -5.713 -3.310 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.146 -4.540 -4.464 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.511 -6.200 -4.993 1.00 0.00 H new ATOM 542 N GLU A 38 6.415 -2.991 -6.570 1.00 0.00 N ATOM 543 CA GLU A 38 5.645 -1.768 -6.626 1.00 0.00 C ATOM 544 C GLU A 38 4.417 -2.021 -5.752 1.00 0.00 C ATOM 545 O GLU A 38 3.819 -3.102 -5.805 1.00 0.00 O ATOM 546 CB GLU A 38 5.289 -1.481 -8.088 1.00 0.00 C ATOM 547 CG GLU A 38 6.516 -1.134 -8.957 1.00 0.00 C ATOM 548 CD GLU A 38 6.142 -0.681 -10.373 1.00 0.00 C ATOM 549 OE1 GLU A 38 5.434 0.343 -10.526 1.00 0.00 O ATOM 550 OE2 GLU A 38 6.589 -1.323 -11.350 1.00 0.00 O ATOM 0 H GLU A 38 5.846 -3.822 -6.735 1.00 0.00 H new ATOM 0 HA GLU A 38 6.180 -0.892 -6.260 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.788 -2.352 -8.510 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.579 -0.655 -8.127 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.088 -0.345 -8.469 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.167 -2.006 -9.021 1.00 0.00 H new ATOM 557 N ILE A 39 4.078 -1.062 -4.897 1.00 0.00 N ATOM 558 CA ILE A 39 3.015 -1.161 -3.906 1.00 0.00 C ATOM 559 C ILE A 39 2.109 0.037 -4.142 1.00 0.00 C ATOM 560 O ILE A 39 2.580 1.167 -4.064 1.00 0.00 O ATOM 561 CB ILE A 39 3.631 -1.188 -2.483 1.00 0.00 C ATOM 562 CG1 ILE A 39 4.392 -2.516 -2.251 1.00 0.00 C ATOM 563 CG2 ILE A 39 2.551 -0.926 -1.413 1.00 0.00 C ATOM 564 CD1 ILE A 39 5.121 -2.601 -0.904 1.00 0.00 C ATOM 0 H ILE A 39 4.555 -0.161 -4.875 1.00 0.00 H new ATOM 0 HA ILE A 39 2.434 -2.079 -3.996 1.00 0.00 H new ATOM 0 HB ILE A 39 4.359 -0.382 -2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.685 -3.343 -2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.118 -2.649 -3.053 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.006 -0.950 -0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.101 0.052 -1.582 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.781 -1.695 -1.477 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.627 -3.563 -0.824 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.855 -1.798 -0.836 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.399 -2.502 -0.093 1.00 0.00 H new ATOM 576 N ILE A 40 0.829 -0.191 -4.432 1.00 0.00 N ATOM 577 CA ILE A 40 -0.097 0.857 -4.818 1.00 0.00 C ATOM 578 C ILE A 40 -1.250 0.824 -3.816 1.00 0.00 C ATOM 579 O ILE A 40 -2.131 -0.034 -3.888 1.00 0.00 O ATOM 580 CB ILE A 40 -0.526 0.696 -6.297 1.00 0.00 C ATOM 581 CG1 ILE A 40 0.646 0.640 -7.314 1.00 0.00 C ATOM 582 CG2 ILE A 40 -1.405 1.904 -6.661 1.00 0.00 C ATOM 583 CD1 ILE A 40 1.326 -0.722 -7.497 1.00 0.00 C ATOM 0 H ILE A 40 0.408 -1.119 -4.403 1.00 0.00 H new ATOM 0 HA ILE A 40 0.361 1.845 -4.779 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.042 -0.261 -6.368 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.272 0.968 -8.284 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.403 1.360 -7.003 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.725 1.821 -7.700 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.281 1.926 -6.012 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.833 2.823 -6.530 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.127 -0.633 -8.231 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.741 -1.052 -6.545 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.594 -1.450 -7.845 1.00 0.00 H new ATOM 595 N ILE A 41 -1.210 1.720 -2.833 1.00 0.00 N ATOM 596 CA ILE A 41 -2.268 1.881 -1.841 1.00 0.00 C ATOM 597 C ILE A 41 -3.484 2.463 -2.546 1.00 0.00 C ATOM 598 O ILE A 41 -3.366 3.413 -3.325 1.00 0.00 O ATOM 599 CB ILE A 41 -1.775 2.820 -0.729 1.00 0.00 C ATOM 600 CG1 ILE A 41 -0.656 2.127 0.065 1.00 0.00 C ATOM 601 CG2 ILE A 41 -2.917 3.178 0.233 1.00 0.00 C ATOM 602 CD1 ILE A 41 0.323 3.141 0.656 1.00 0.00 C ATOM 0 H ILE A 41 -0.430 2.364 -2.702 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.534 0.926 -1.388 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.404 3.734 -1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.093 1.532 0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.119 1.438 -0.587 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.542 3.843 1.011 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.714 3.677 -0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.306 2.268 0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.100 2.616 1.211 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.778 3.719 -0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.211 3.813 1.328 1.00 0.00 H new ATOM 614 N LEU A 42 -4.656 1.960 -2.177 1.00 0.00 N ATOM 615 CA LEU A 42 -5.953 2.459 -2.606 1.00 0.00 C ATOM 616 C LEU A 42 -6.590 3.133 -1.401 1.00 0.00 C ATOM 617 O LEU A 42 -6.914 2.463 -0.418 1.00 0.00 O ATOM 618 CB LEU A 42 -6.832 1.309 -3.128 1.00 0.00 C ATOM 619 CG LEU A 42 -6.166 0.481 -4.247 1.00 0.00 C ATOM 620 CD1 LEU A 42 -7.048 -0.711 -4.611 1.00 0.00 C ATOM 621 CD2 LEU A 42 -5.894 1.322 -5.501 1.00 0.00 C ATOM 0 H LEU A 42 -4.730 1.162 -1.546 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.845 3.169 -3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.082 0.648 -2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.770 1.720 -3.501 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.207 0.130 -3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.570 -1.289 -5.401 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.187 -1.342 -3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.017 -0.354 -4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.425 0.699 -6.262 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.834 1.718 -5.885 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.229 2.148 -5.248 1.00 0.00 H new ATOM 633 N ALA A 43 -6.742 4.456 -1.452 1.00 0.00 N ATOM 634 CA ALA A 43 -7.391 5.216 -0.380 1.00 0.00 C ATOM 635 C ALA A 43 -8.178 6.397 -0.962 1.00 0.00 C ATOM 636 O ALA A 43 -8.082 6.703 -2.151 1.00 0.00 O ATOM 637 CB ALA A 43 -6.337 5.709 0.624 1.00 0.00 C ATOM 0 H ALA A 43 -6.421 5.030 -2.232 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.092 4.564 0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.827 6.273 1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.816 4.854 1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.619 6.351 0.113 1.00 0.00 H new ATOM 643 N THR A 44 -8.969 7.077 -0.139 1.00 0.00 N ATOM 644 CA THR A 44 -9.895 8.122 -0.573 1.00 0.00 C ATOM 645 C THR A 44 -9.217 9.486 -0.709 1.00 0.00 C ATOM 646 O THR A 44 -9.643 10.310 -1.525 1.00 0.00 O ATOM 647 CB THR A 44 -11.095 8.173 0.391 1.00 0.00 C ATOM 648 OG1 THR A 44 -10.660 8.164 1.732 1.00 0.00 O ATOM 649 CG2 THR A 44 -11.998 6.953 0.222 1.00 0.00 C ATOM 0 H THR A 44 -8.986 6.916 0.868 1.00 0.00 H new ATOM 0 HA THR A 44 -10.251 7.870 -1.572 1.00 0.00 H new ATOM 0 HB THR A 44 -11.637 9.089 0.157 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.322 7.273 1.960 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.835 7.021 0.917 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.377 6.919 -0.800 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.428 6.047 0.428 1.00 0.00 H new ATOM 657 N ARG A 45 -8.169 9.743 0.073 1.00 0.00 N ATOM 658 CA ARG A 45 -7.575 11.056 0.274 1.00 0.00 C ATOM 659 C ARG A 45 -6.081 10.870 0.087 1.00 0.00 C ATOM 660 O ARG A 45 -5.299 10.875 1.036 1.00 0.00 O ATOM 661 CB ARG A 45 -7.957 11.599 1.669 1.00 0.00 C ATOM 662 CG ARG A 45 -9.477 11.644 1.925 1.00 0.00 C ATOM 663 CD ARG A 45 -10.204 12.689 1.068 1.00 0.00 C ATOM 664 NE ARG A 45 -10.349 13.961 1.793 1.00 0.00 N ATOM 665 CZ ARG A 45 -10.999 15.055 1.386 1.00 0.00 C ATOM 666 NH1 ARG A 45 -11.492 15.142 0.154 1.00 0.00 N ATOM 667 NH2 ARG A 45 -11.176 16.029 2.270 1.00 0.00 N ATOM 0 H ARG A 45 -7.695 9.011 0.602 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.939 11.800 -0.435 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.488 10.977 2.431 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.549 12.604 1.782 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.902 10.660 1.725 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.655 11.860 2.978 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.650 12.855 0.144 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.188 12.313 0.787 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.903 14.014 2.709 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.377 14.366 -0.497 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.986 15.985 -0.139 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.821 15.926 3.221 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.667 16.881 1.999 1.00 0.00 H new ATOM 681 N THR A 46 -5.677 10.683 -1.164 1.00 0.00 N ATOM 682 CA THR A 46 -4.298 10.423 -1.554 1.00 0.00 C ATOM 683 C THR A 46 -3.320 11.480 -1.027 1.00 0.00 C ATOM 684 O THR A 46 -2.166 11.163 -0.739 1.00 0.00 O ATOM 685 CB THR A 46 -4.255 10.278 -3.083 1.00 0.00 C ATOM 686 OG1 THR A 46 -5.112 11.210 -3.738 1.00 0.00 O ATOM 687 CG2 THR A 46 -4.726 8.877 -3.453 1.00 0.00 C ATOM 0 H THR A 46 -6.318 10.709 -1.957 1.00 0.00 H new ATOM 0 HA THR A 46 -3.961 9.495 -1.093 1.00 0.00 H new ATOM 0 HB THR A 46 -3.230 10.465 -3.403 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.052 11.084 -4.708 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.701 8.759 -4.536 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.069 8.139 -2.992 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.745 8.729 -3.095 1.00 0.00 H new ATOM 695 N GLN A 47 -3.783 12.715 -0.814 1.00 0.00 N ATOM 696 CA GLN A 47 -3.009 13.772 -0.184 1.00 0.00 C ATOM 697 C GLN A 47 -2.532 13.350 1.214 1.00 0.00 C ATOM 698 O GLN A 47 -1.363 13.539 1.536 1.00 0.00 O ATOM 699 CB GLN A 47 -3.870 15.049 -0.169 1.00 0.00 C ATOM 700 CG GLN A 47 -3.112 16.327 0.220 1.00 0.00 C ATOM 701 CD GLN A 47 -1.998 16.739 -0.749 1.00 0.00 C ATOM 702 OE1 GLN A 47 -1.813 16.171 -1.831 1.00 0.00 O ATOM 703 NE2 GLN A 47 -1.235 17.749 -0.371 1.00 0.00 N ATOM 0 H GLN A 47 -4.723 13.007 -1.082 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.100 13.973 -0.750 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.307 15.188 -1.158 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.696 14.906 0.527 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.827 17.146 0.298 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.678 16.187 1.210 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.402 18.206 0.525 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.479 18.071 -0.975 1.00 0.00 H new ATOM 712 N ASN A 48 -3.406 12.740 2.022 1.00 0.00 N ATOM 713 CA ASN A 48 -3.090 12.252 3.367 1.00 0.00 C ATOM 714 C ASN A 48 -2.137 11.055 3.321 1.00 0.00 C ATOM 715 O ASN A 48 -1.236 10.959 4.156 1.00 0.00 O ATOM 716 CB ASN A 48 -4.386 11.840 4.102 1.00 0.00 C ATOM 717 CG ASN A 48 -4.814 12.782 5.220 1.00 0.00 C ATOM 718 OD1 ASN A 48 -4.062 13.633 5.691 1.00 0.00 O ATOM 719 ND2 ASN A 48 -6.057 12.674 5.655 1.00 0.00 N ATOM 0 H ASN A 48 -4.375 12.568 1.752 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.600 13.064 3.904 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.194 11.773 3.374 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.249 10.842 4.519 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -6.398 13.299 6.386 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.676 11.966 5.260 1.00 0.00 H new ATOM 726 N VAL A 49 -2.329 10.157 2.345 1.00 0.00 N ATOM 727 CA VAL A 49 -1.494 8.967 2.159 1.00 0.00 C ATOM 728 C VAL A 49 -0.073 9.378 1.784 1.00 0.00 C ATOM 729 O VAL A 49 0.885 8.748 2.230 1.00 0.00 O ATOM 730 CB VAL A 49 -2.095 8.047 1.077 1.00 0.00 C ATOM 731 CG1 VAL A 49 -1.287 6.760 0.852 1.00 0.00 C ATOM 732 CG2 VAL A 49 -3.520 7.636 1.448 1.00 0.00 C ATOM 0 H VAL A 49 -3.077 10.239 1.656 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.462 8.413 3.097 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.076 8.634 0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.766 6.160 0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.275 7.016 0.538 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.246 6.189 1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.925 6.987 0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.509 7.102 2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.143 8.526 1.539 1.00 0.00 H new ATOM 742 N LEU A 50 0.086 10.410 0.952 1.00 0.00 N ATOM 743 CA LEU A 50 1.408 10.916 0.622 1.00 0.00 C ATOM 744 C LEU A 50 1.956 11.710 1.799 1.00 0.00 C ATOM 745 O LEU A 50 3.113 11.518 2.157 1.00 0.00 O ATOM 746 CB LEU A 50 1.366 11.745 -0.672 1.00 0.00 C ATOM 747 CG LEU A 50 1.045 10.890 -1.915 1.00 0.00 C ATOM 748 CD1 LEU A 50 0.931 11.786 -3.152 1.00 0.00 C ATOM 749 CD2 LEU A 50 2.102 9.809 -2.172 1.00 0.00 C ATOM 0 H LEU A 50 -0.683 10.905 0.500 1.00 0.00 H new ATOM 0 HA LEU A 50 2.084 10.081 0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.616 12.530 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.327 12.239 -0.814 1.00 0.00 H new ATOM 0 HG LEU A 50 0.097 10.389 -1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.704 11.174 -4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.133 12.514 -3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.874 12.309 -3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.828 9.236 -3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.073 10.279 -2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.157 9.142 -1.311 1.00 0.00 H new ATOM 761 N GLY A 51 1.150 12.560 2.432 1.00 0.00 N ATOM 762 CA GLY A 51 1.622 13.476 3.454 1.00 0.00 C ATOM 763 C GLY A 51 2.537 14.539 2.847 1.00 0.00 C ATOM 764 O GLY A 51 2.690 14.651 1.622 1.00 0.00 O ATOM 0 H GLY A 51 0.149 12.629 2.246 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.772 13.955 3.940 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.160 12.923 4.224 1.00 0.00 H new ATOM 768 N GLU A 52 3.156 15.329 3.720 1.00 0.00 N ATOM 769 CA GLU A 52 3.917 16.528 3.394 1.00 0.00 C ATOM 770 C GLU A 52 5.081 16.196 2.462 1.00 0.00 C ATOM 771 O GLU A 52 6.060 15.572 2.879 1.00 0.00 O ATOM 772 CB GLU A 52 4.383 17.162 4.706 1.00 0.00 C ATOM 773 CG GLU A 52 5.119 18.488 4.498 1.00 0.00 C ATOM 774 CD GLU A 52 5.519 19.165 5.815 1.00 0.00 C ATOM 775 OE1 GLU A 52 4.961 18.854 6.889 1.00 0.00 O ATOM 776 OE2 GLU A 52 6.396 20.065 5.741 1.00 0.00 O ATOM 0 H GLU A 52 3.139 15.140 4.722 1.00 0.00 H new ATOM 0 HA GLU A 52 3.295 17.243 2.856 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.520 17.329 5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.040 16.465 5.227 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.013 18.311 3.901 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.483 19.164 3.927 1.00 0.00 H new ATOM 783 N LYS A 53 4.959 16.565 1.182 1.00 0.00 N ATOM 784 CA LYS A 53 5.868 16.187 0.097 1.00 0.00 C ATOM 785 C LYS A 53 6.256 14.714 0.190 1.00 0.00 C ATOM 786 O LYS A 53 7.438 14.356 0.147 1.00 0.00 O ATOM 787 CB LYS A 53 7.080 17.129 0.026 1.00 0.00 C ATOM 788 CG LYS A 53 6.669 18.606 -0.069 1.00 0.00 C ATOM 789 CD LYS A 53 7.610 19.438 -0.952 1.00 0.00 C ATOM 790 CE LYS A 53 7.310 19.129 -2.427 1.00 0.00 C ATOM 791 NZ LYS A 53 8.045 20.006 -3.364 1.00 0.00 N ATOM 0 H LYS A 53 4.194 17.159 0.862 1.00 0.00 H new ATOM 0 HA LYS A 53 5.339 16.305 -0.849 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.702 16.984 0.909 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.689 16.868 -0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.656 18.670 -0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.646 19.036 0.933 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.472 20.501 -0.754 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.649 19.203 -0.721 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.567 18.090 -2.634 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.240 19.234 -2.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.802 19.750 -4.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.783 20.997 -3.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.068 19.888 -3.219 1.00 0.00 H new ATOM 805 N GLY A 54 5.266 13.848 0.377 1.00 0.00 N ATOM 806 CA GLY A 54 5.487 12.419 0.423 1.00 0.00 C ATOM 807 C GLY A 54 5.935 11.903 1.788 1.00 0.00 C ATOM 808 O GLY A 54 6.318 10.745 1.839 1.00 0.00 O ATOM 0 H GLY A 54 4.291 14.123 0.500 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.566 11.910 0.138 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.240 12.154 -0.319 1.00 0.00 H new ATOM 812 N ARG A 55 5.886 12.686 2.880 1.00 0.00 N ATOM 813 CA ARG A 55 6.277 12.236 4.226 1.00 0.00 C ATOM 814 C ARG A 55 5.703 10.867 4.560 1.00 0.00 C ATOM 815 O ARG A 55 6.483 9.967 4.841 1.00 0.00 O ATOM 816 CB ARG A 55 5.840 13.229 5.327 1.00 0.00 C ATOM 817 CG ARG A 55 6.959 14.118 5.889 1.00 0.00 C ATOM 818 CD ARG A 55 6.514 14.664 7.258 1.00 0.00 C ATOM 819 NE ARG A 55 7.446 15.658 7.818 1.00 0.00 N ATOM 820 CZ ARG A 55 8.623 15.406 8.407 1.00 0.00 C ATOM 821 NH1 ARG A 55 9.090 14.164 8.512 1.00 0.00 N ATOM 822 NH2 ARG A 55 9.343 16.427 8.867 1.00 0.00 N ATOM 0 H ARG A 55 5.572 13.656 2.852 1.00 0.00 H new ATOM 0 HA ARG A 55 7.365 12.179 4.205 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.056 13.871 4.925 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.399 12.664 6.149 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.881 13.546 5.992 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.169 14.940 5.204 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.527 15.117 7.158 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.415 13.834 7.958 1.00 0.00 H new ATOM 0 HE ARG A 55 7.167 16.637 7.751 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.550 13.383 8.140 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.988 13.993 8.964 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.996 17.381 8.768 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.241 16.255 9.318 1.00 0.00 H new ATOM 836 N ARG A 56 4.376 10.694 4.570 1.00 0.00 N ATOM 837 CA ARG A 56 3.786 9.428 5.002 1.00 0.00 C ATOM 838 C ARG A 56 4.306 8.305 4.122 1.00 0.00 C ATOM 839 O ARG A 56 4.743 7.292 4.655 1.00 0.00 O ATOM 840 CB ARG A 56 2.242 9.435 4.991 1.00 0.00 C ATOM 841 CG ARG A 56 1.634 9.247 6.384 1.00 0.00 C ATOM 842 CD ARG A 56 1.464 10.571 7.129 1.00 0.00 C ATOM 843 NE ARG A 56 0.090 11.093 6.998 1.00 0.00 N ATOM 844 CZ ARG A 56 -0.585 11.674 7.999 1.00 0.00 C ATOM 845 NH1 ARG A 56 0.045 12.151 9.070 1.00 0.00 N ATOM 846 NH2 ARG A 56 -1.907 11.756 7.965 1.00 0.00 N ATOM 0 H ARG A 56 3.701 11.405 4.288 1.00 0.00 H new ATOM 0 HA ARG A 56 4.085 9.274 6.039 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.891 10.378 4.571 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.885 8.642 4.334 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.664 8.758 6.291 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.271 8.583 6.969 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.702 10.429 8.183 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.171 11.303 6.738 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.373 11.007 6.093 1.00 0.00 H new ATOM 0 HH11 ARG A 56 1.060 12.078 9.139 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.487 12.590 9.821 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.421 11.375 7.171 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.410 12.201 8.733 1.00 0.00 H new ATOM 860 N ILE A 57 4.238 8.459 2.796 1.00 0.00 N ATOM 861 CA ILE A 57 4.615 7.366 1.909 1.00 0.00 C ATOM 862 C ILE A 57 6.115 7.043 2.039 1.00 0.00 C ATOM 863 O ILE A 57 6.512 5.882 1.955 1.00 0.00 O ATOM 864 CB ILE A 57 4.110 7.627 0.478 1.00 0.00 C ATOM 865 CG1 ILE A 57 4.035 6.300 -0.297 1.00 0.00 C ATOM 866 CG2 ILE A 57 4.910 8.689 -0.294 1.00 0.00 C ATOM 867 CD1 ILE A 57 2.975 6.333 -1.400 1.00 0.00 C ATOM 0 H ILE A 57 3.932 9.311 2.326 1.00 0.00 H new ATOM 0 HA ILE A 57 4.114 6.448 2.215 1.00 0.00 H new ATOM 0 HB ILE A 57 3.111 8.053 0.574 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.008 6.083 -0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.811 5.489 0.396 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.487 8.810 -1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.862 9.639 0.238 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.950 8.372 -0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.960 5.374 -1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.996 6.522 -0.959 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.213 7.126 -2.109 1.00 0.00 H new ATOM 879 N ARG A 58 6.956 8.056 2.277 1.00 0.00 N ATOM 880 CA ARG A 58 8.383 7.907 2.531 1.00 0.00 C ATOM 881 C ARG A 58 8.605 7.149 3.824 1.00 0.00 C ATOM 882 O ARG A 58 9.154 6.053 3.787 1.00 0.00 O ATOM 883 CB ARG A 58 9.084 9.284 2.543 1.00 0.00 C ATOM 884 CG ARG A 58 9.536 9.659 1.123 1.00 0.00 C ATOM 885 CD ARG A 58 10.747 10.601 1.094 1.00 0.00 C ATOM 886 NE ARG A 58 11.432 10.463 -0.197 1.00 0.00 N ATOM 887 CZ ARG A 58 12.397 11.209 -0.732 1.00 0.00 C ATOM 888 NH1 ARG A 58 12.887 12.249 -0.074 1.00 0.00 N ATOM 889 NH2 ARG A 58 12.861 10.896 -1.935 1.00 0.00 N ATOM 0 H ARG A 58 6.648 9.028 2.298 1.00 0.00 H new ATOM 0 HA ARG A 58 8.829 7.327 1.723 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.404 10.043 2.929 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.944 9.257 3.212 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.781 8.749 0.576 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.705 10.132 0.599 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.425 11.632 1.241 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.430 10.361 1.909 1.00 0.00 H new ATOM 0 HE ARG A 58 11.123 9.678 -0.770 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.525 12.484 0.850 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.626 12.815 -0.492 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.479 10.094 -2.436 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.600 11.457 -2.359 1.00 0.00 H new ATOM 903 N GLU A 59 8.139 7.674 4.949 1.00 0.00 N ATOM 904 CA GLU A 59 8.245 7.091 6.246 1.00 0.00 C ATOM 905 C GLU A 59 7.777 5.638 6.239 1.00 0.00 C ATOM 906 O GLU A 59 8.517 4.745 6.650 1.00 0.00 O ATOM 907 CB GLU A 59 7.416 8.001 7.151 1.00 0.00 C ATOM 908 CG GLU A 59 7.922 7.849 8.557 1.00 0.00 C ATOM 909 CD GLU A 59 7.095 8.685 9.525 1.00 0.00 C ATOM 910 OE1 GLU A 59 5.964 8.271 9.858 1.00 0.00 O ATOM 911 OE2 GLU A 59 7.590 9.751 9.957 1.00 0.00 O ATOM 0 H GLU A 59 7.652 8.570 4.963 1.00 0.00 H new ATOM 0 HA GLU A 59 9.273 7.032 6.604 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.500 9.038 6.827 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.361 7.734 7.095 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.883 6.800 8.851 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.967 8.155 8.607 1.00 0.00 H new ATOM 918 N LEU A 60 6.587 5.369 5.702 1.00 0.00 N ATOM 919 CA LEU A 60 6.049 4.030 5.621 1.00 0.00 C ATOM 920 C LEU A 60 6.818 3.158 4.630 1.00 0.00 C ATOM 921 O LEU A 60 6.807 1.948 4.828 1.00 0.00 O ATOM 922 CB LEU A 60 4.564 4.079 5.276 1.00 0.00 C ATOM 923 CG LEU A 60 3.651 4.550 6.421 1.00 0.00 C ATOM 924 CD1 LEU A 60 2.334 5.110 5.878 1.00 0.00 C ATOM 925 CD2 LEU A 60 3.332 3.393 7.370 1.00 0.00 C ATOM 0 H LEU A 60 5.973 6.084 5.312 1.00 0.00 H new ATOM 0 HA LEU A 60 6.166 3.566 6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.425 4.743 4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.245 3.085 4.961 1.00 0.00 H new ATOM 0 HG LEU A 60 4.185 5.333 6.959 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.707 5.436 6.708 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.541 5.958 5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.815 4.336 5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.685 3.748 8.172 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.825 2.600 6.820 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.258 3.005 7.795 1.00 0.00 H new ATOM 937 N THR A 61 7.564 3.697 3.652 1.00 0.00 N ATOM 938 CA THR A 61 8.508 2.888 2.880 1.00 0.00 C ATOM 939 C THR A 61 9.488 2.234 3.851 1.00 0.00 C ATOM 940 O THR A 61 9.736 1.039 3.718 1.00 0.00 O ATOM 941 CB THR A 61 9.293 3.706 1.831 1.00 0.00 C ATOM 942 OG1 THR A 61 8.480 4.427 0.921 1.00 0.00 O ATOM 943 CG2 THR A 61 10.193 2.824 0.963 1.00 0.00 C ATOM 0 H THR A 61 7.529 4.680 3.383 1.00 0.00 H new ATOM 0 HA THR A 61 7.933 2.144 2.329 1.00 0.00 H new ATOM 0 HB THR A 61 9.866 4.399 2.446 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.746 4.856 1.408 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.724 3.445 0.241 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.914 2.306 1.595 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.583 2.092 0.433 1.00 0.00 H new ATOM 951 N ALA A 62 10.036 2.984 4.812 1.00 0.00 N ATOM 952 CA ALA A 62 11.007 2.466 5.763 1.00 0.00 C ATOM 953 C ALA A 62 10.363 1.492 6.747 1.00 0.00 C ATOM 954 O ALA A 62 10.985 0.489 7.106 1.00 0.00 O ATOM 955 CB ALA A 62 11.632 3.633 6.527 1.00 0.00 C ATOM 0 H ALA A 62 9.814 3.970 4.947 1.00 0.00 H new ATOM 0 HA ALA A 62 11.774 1.923 5.210 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.361 3.251 7.242 1.00 0.00 H new ATOM 0 HB2 ALA A 62 12.128 4.303 5.825 1.00 0.00 H new ATOM 0 HB3 ALA A 62 10.853 4.178 7.060 1.00 0.00 H new ATOM 961 N VAL A 63 9.137 1.771 7.204 1.00 0.00 N ATOM 962 CA VAL A 63 8.421 0.845 8.078 1.00 0.00 C ATOM 963 C VAL A 63 8.214 -0.466 7.310 1.00 0.00 C ATOM 964 O VAL A 63 8.634 -1.516 7.787 1.00 0.00 O ATOM 965 CB VAL A 63 7.095 1.436 8.604 1.00 0.00 C ATOM 966 CG1 VAL A 63 6.482 0.507 9.665 1.00 0.00 C ATOM 967 CG2 VAL A 63 7.247 2.818 9.257 1.00 0.00 C ATOM 0 H VAL A 63 8.626 2.625 6.983 1.00 0.00 H new ATOM 0 HA VAL A 63 9.015 0.654 8.972 1.00 0.00 H new ATOM 0 HB VAL A 63 6.460 1.535 7.724 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.548 0.935 10.028 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.286 -0.470 9.224 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.177 0.396 10.497 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.273 3.167 9.601 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.928 2.747 10.105 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.648 3.523 8.528 1.00 0.00 H new ATOM 977 N VAL A 64 7.618 -0.418 6.114 1.00 0.00 N ATOM 978 CA VAL A 64 7.369 -1.577 5.266 1.00 0.00 C ATOM 979 C VAL A 64 8.673 -2.322 5.008 1.00 0.00 C ATOM 980 O VAL A 64 8.708 -3.537 5.180 1.00 0.00 O ATOM 981 CB VAL A 64 6.670 -1.153 3.955 1.00 0.00 C ATOM 982 CG1 VAL A 64 6.661 -2.252 2.877 1.00 0.00 C ATOM 983 CG2 VAL A 64 5.214 -0.763 4.241 1.00 0.00 C ATOM 0 H VAL A 64 7.288 0.455 5.702 1.00 0.00 H new ATOM 0 HA VAL A 64 6.693 -2.261 5.779 1.00 0.00 H new ATOM 0 HB VAL A 64 7.246 -0.311 3.571 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.154 -1.883 1.985 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.686 -2.523 2.625 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.136 -3.129 3.256 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.728 -0.465 3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.687 -1.615 4.670 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.192 0.069 4.945 1.00 0.00 H new ATOM 993 N GLN A 65 9.746 -1.620 4.642 1.00 0.00 N ATOM 994 CA GLN A 65 11.012 -2.239 4.294 1.00 0.00 C ATOM 995 C GLN A 65 11.491 -3.168 5.413 1.00 0.00 C ATOM 996 O GLN A 65 11.917 -4.289 5.129 1.00 0.00 O ATOM 997 CB GLN A 65 12.064 -1.167 3.946 1.00 0.00 C ATOM 998 CG GLN A 65 12.387 -1.101 2.445 1.00 0.00 C ATOM 999 CD GLN A 65 13.722 -0.405 2.198 1.00 0.00 C ATOM 1000 OE1 GLN A 65 14.810 -1.009 2.636 1.00 0.00 O flip ATOM 1001 NE2 GLN A 65 13.797 0.698 1.654 1.00 0.00 N flip ATOM 0 H GLN A 65 9.755 -0.602 4.580 1.00 0.00 H new ATOM 0 HA GLN A 65 10.865 -2.853 3.406 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.704 -0.193 4.277 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.980 -1.373 4.500 1.00 0.00 H new ATOM 0 HG2 GLN A 65 12.418 -2.109 2.032 1.00 0.00 H new ATOM 0 HG3 GLN A 65 11.593 -0.567 1.923 1.00 0.00 H new ATOM 0 HE21 GLN A 65 12.952 1.159 1.318 1.00 0.00 H new ATOM 0 HE22 GLN A 65 14.704 1.150 1.540 1.00 0.00 H new ATOM 1010 N LYS A 66 11.362 -2.749 6.676 1.00 0.00 N ATOM 1011 CA LYS A 66 11.803 -3.500 7.827 1.00 0.00 C ATOM 1012 C LYS A 66 10.759 -4.562 8.171 1.00 0.00 C ATOM 1013 O LYS A 66 11.098 -5.743 8.277 1.00 0.00 O ATOM 1014 CB LYS A 66 12.071 -2.455 8.920 1.00 0.00 C ATOM 1015 CG LYS A 66 12.304 -3.077 10.284 1.00 0.00 C ATOM 1016 CD LYS A 66 12.926 -2.054 11.248 1.00 0.00 C ATOM 1017 CE LYS A 66 13.085 -2.608 12.667 1.00 0.00 C ATOM 1018 NZ LYS A 66 11.784 -2.962 13.267 1.00 0.00 N ATOM 0 H LYS A 66 10.936 -1.855 6.918 1.00 0.00 H new ATOM 0 HA LYS A 66 12.719 -4.069 7.670 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.942 -1.861 8.643 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.224 -1.771 8.978 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.360 -3.439 10.690 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.962 -3.941 10.188 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.901 -1.749 10.869 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.302 -1.161 11.278 1.00 0.00 H new ATOM 0 HE2 LYS A 66 13.726 -3.489 12.643 1.00 0.00 H new ATOM 0 HE3 LYS A 66 13.584 -1.868 13.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.907 -3.138 14.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.114 -2.179 13.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.413 -3.819 12.810 1.00 0.00 H new ATOM 1032 N ARG A 67 9.482 -4.172 8.289 1.00 0.00 N ATOM 1033 CA ARG A 67 8.372 -5.064 8.639 1.00 0.00 C ATOM 1034 C ARG A 67 8.342 -6.270 7.717 1.00 0.00 C ATOM 1035 O ARG A 67 8.218 -7.394 8.196 1.00 0.00 O ATOM 1036 CB ARG A 67 7.029 -4.302 8.589 1.00 0.00 C ATOM 1037 CG ARG A 67 5.922 -4.902 9.479 1.00 0.00 C ATOM 1038 CD ARG A 67 5.119 -6.044 8.821 1.00 0.00 C ATOM 1039 NE ARG A 67 4.794 -7.106 9.787 1.00 0.00 N ATOM 1040 CZ ARG A 67 3.743 -7.939 9.789 1.00 0.00 C ATOM 1041 NH1 ARG A 67 2.798 -7.871 8.853 1.00 0.00 N ATOM 1042 NH2 ARG A 67 3.653 -8.855 10.748 1.00 0.00 N ATOM 0 H ARG A 67 9.188 -3.207 8.140 1.00 0.00 H new ATOM 0 HA ARG A 67 8.525 -5.420 9.658 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.200 -3.269 8.890 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.677 -4.279 7.558 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.375 -5.276 10.397 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.232 -4.108 9.764 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.198 -5.644 8.396 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.694 -6.465 7.996 1.00 0.00 H new ATOM 0 HE ARG A 67 5.454 -7.224 10.555 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.864 -7.173 8.112 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.009 -8.517 8.877 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.376 -8.915 11.465 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.861 -9.498 10.767 1.00 0.00 H new ATOM 1056 N PHE A 68 8.463 -6.043 6.411 1.00 0.00 N ATOM 1057 CA PHE A 68 8.292 -7.066 5.395 1.00 0.00 C ATOM 1058 C PHE A 68 9.628 -7.676 4.954 1.00 0.00 C ATOM 1059 O PHE A 68 9.630 -8.759 4.367 1.00 0.00 O ATOM 1060 CB PHE A 68 7.461 -6.503 4.230 1.00 0.00 C ATOM 1061 CG PHE A 68 6.024 -6.220 4.616 1.00 0.00 C ATOM 1062 CD1 PHE A 68 5.665 -5.050 5.308 1.00 0.00 C ATOM 1063 CD2 PHE A 68 5.040 -7.171 4.320 1.00 0.00 C ATOM 1064 CE1 PHE A 68 4.344 -4.847 5.743 1.00 0.00 C ATOM 1065 CE2 PHE A 68 3.715 -6.956 4.714 1.00 0.00 C ATOM 1066 CZ PHE A 68 3.370 -5.819 5.465 1.00 0.00 C ATOM 0 H PHE A 68 8.687 -5.125 6.027 1.00 0.00 H new ATOM 0 HA PHE A 68 7.736 -7.900 5.823 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.924 -5.584 3.871 1.00 0.00 H new ATOM 0 HB3 PHE A 68 7.477 -7.212 3.402 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.414 -4.298 5.508 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.304 -8.072 3.787 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.081 -3.951 6.286 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.952 -7.669 4.439 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.360 -5.694 5.827 1.00 0.00 H new ATOM 1076 N GLY A 69 10.764 -7.049 5.286 1.00 0.00 N ATOM 1077 CA GLY A 69 12.076 -7.581 4.952 1.00 0.00 C ATOM 1078 C GLY A 69 12.333 -7.450 3.455 1.00 0.00 C ATOM 1079 O GLY A 69 12.589 -8.460 2.791 1.00 0.00 O ATOM 0 H GLY A 69 10.792 -6.163 5.791 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.846 -7.046 5.508 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.138 -8.628 5.249 1.00 0.00 H new ATOM 1083 N PHE A 70 12.152 -6.243 2.914 1.00 0.00 N ATOM 1084 CA PHE A 70 12.491 -5.905 1.534 1.00 0.00 C ATOM 1085 C PHE A 70 13.942 -5.416 1.452 1.00 0.00 C ATOM 1086 O PHE A 70 14.431 -4.834 2.427 1.00 0.00 O ATOM 1087 CB PHE A 70 11.577 -4.780 1.036 1.00 0.00 C ATOM 1088 CG PHE A 70 10.202 -5.218 0.592 1.00 0.00 C ATOM 1089 CD1 PHE A 70 10.051 -5.906 -0.625 1.00 0.00 C ATOM 1090 CD2 PHE A 70 9.073 -4.909 1.370 1.00 0.00 C ATOM 1091 CE1 PHE A 70 8.772 -6.275 -1.066 1.00 0.00 C ATOM 1092 CE2 PHE A 70 7.792 -5.284 0.931 1.00 0.00 C ATOM 1093 CZ PHE A 70 7.644 -5.962 -0.293 1.00 0.00 C ATOM 0 H PHE A 70 11.758 -5.460 3.435 1.00 0.00 H new ATOM 0 HA PHE A 70 12.363 -6.796 0.920 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.467 -4.044 1.832 1.00 0.00 H new ATOM 0 HB3 PHE A 70 12.067 -4.277 0.203 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.919 -6.150 -1.219 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.190 -4.383 2.306 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.655 -6.801 -2.002 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.924 -5.053 1.531 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.660 -6.242 -0.638 1.00 0.00 H new ATOM 1103 N PRO A 71 14.604 -5.554 0.290 1.00 0.00 N ATOM 1104 CA PRO A 71 15.787 -4.776 -0.054 1.00 0.00 C ATOM 1105 C PRO A 71 15.481 -3.274 -0.088 1.00 0.00 C ATOM 1106 O PRO A 71 14.323 -2.854 -0.167 1.00 0.00 O ATOM 1107 CB PRO A 71 16.214 -5.254 -1.449 1.00 0.00 C ATOM 1108 CG PRO A 71 15.485 -6.578 -1.654 1.00 0.00 C ATOM 1109 CD PRO A 71 14.217 -6.396 -0.830 1.00 0.00 C ATOM 0 HA PRO A 71 16.571 -4.920 0.689 1.00 0.00 H new ATOM 0 HB2 PRO A 71 15.939 -4.529 -2.216 1.00 0.00 H new ATOM 0 HB3 PRO A 71 17.294 -5.385 -1.507 1.00 0.00 H new ATOM 0 HG2 PRO A 71 15.262 -6.758 -2.706 1.00 0.00 H new ATOM 0 HG3 PRO A 71 16.077 -7.424 -1.304 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.429 -5.928 -1.420 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.831 -7.355 -0.486 1.00 0.00 H new ATOM 1117 N GLU A 72 16.531 -2.459 -0.130 1.00 0.00 N ATOM 1118 CA GLU A 72 16.427 -1.060 -0.520 1.00 0.00 C ATOM 1119 C GLU A 72 16.314 -0.969 -2.048 1.00 0.00 C ATOM 1120 O GLU A 72 16.678 -1.904 -2.776 1.00 0.00 O ATOM 1121 CB GLU A 72 17.674 -0.285 -0.069 1.00 0.00 C ATOM 1122 CG GLU A 72 17.922 -0.295 1.442 1.00 0.00 C ATOM 1123 CD GLU A 72 19.209 0.458 1.747 1.00 0.00 C ATOM 1124 OE1 GLU A 72 20.296 -0.022 1.364 1.00 0.00 O ATOM 1125 OE2 GLU A 72 19.126 1.605 2.247 1.00 0.00 O ATOM 0 H GLU A 72 17.479 -2.752 0.106 1.00 0.00 H new ATOM 0 HA GLU A 72 15.545 -0.628 -0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 72 18.547 -0.705 -0.569 1.00 0.00 H new ATOM 0 HB3 GLU A 72 17.582 0.749 -0.402 1.00 0.00 H new ATOM 0 HG2 GLU A 72 17.084 0.169 1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 72 17.993 -1.321 1.803 1.00 0.00 H new ATOM 1132 N GLY A 73 15.834 0.177 -2.542 1.00 0.00 N ATOM 1133 CA GLY A 73 15.827 0.540 -3.957 1.00 0.00 C ATOM 1134 C GLY A 73 14.928 -0.334 -4.834 1.00 0.00 C ATOM 1135 O GLY A 73 14.844 -0.108 -6.040 1.00 0.00 O ATOM 0 H GLY A 73 15.427 0.898 -1.946 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.506 1.577 -4.051 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.847 0.486 -4.338 1.00 0.00 H new ATOM 1139 N SER A 74 14.276 -1.339 -4.248 1.00 0.00 N ATOM 1140 CA SER A 74 13.623 -2.441 -4.941 1.00 0.00 C ATOM 1141 C SER A 74 12.207 -2.687 -4.412 1.00 0.00 C ATOM 1142 O SER A 74 11.585 -3.706 -4.710 1.00 0.00 O ATOM 1143 CB SER A 74 14.494 -3.689 -4.812 1.00 0.00 C ATOM 1144 OG SER A 74 15.830 -3.431 -5.234 1.00 0.00 O ATOM 0 H SER A 74 14.187 -1.406 -3.234 1.00 0.00 H new ATOM 0 HA SER A 74 13.514 -2.184 -5.995 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.496 -4.029 -3.776 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.070 -4.495 -5.411 1.00 0.00 H new ATOM 0 HG SER A 74 16.294 -2.905 -4.549 1.00 0.00 H new ATOM 1150 N VAL A 75 11.677 -1.728 -3.664 1.00 0.00 N ATOM 1151 CA VAL A 75 10.272 -1.619 -3.325 1.00 0.00 C ATOM 1152 C VAL A 75 9.939 -0.132 -3.467 1.00 0.00 C ATOM 1153 O VAL A 75 10.625 0.705 -2.882 1.00 0.00 O ATOM 1154 CB VAL A 75 10.026 -2.246 -1.931 1.00 0.00 C ATOM 1155 CG1 VAL A 75 10.895 -1.677 -0.793 1.00 0.00 C ATOM 1156 CG2 VAL A 75 8.548 -2.164 -1.543 1.00 0.00 C ATOM 0 H VAL A 75 12.240 -0.978 -3.263 1.00 0.00 H new ATOM 0 HA VAL A 75 9.599 -2.177 -3.976 1.00 0.00 H new ATOM 0 HB VAL A 75 10.331 -3.286 -2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.647 -2.181 0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.948 -1.838 -1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.706 -0.609 -0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.405 -2.612 -0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.237 -1.120 -1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.949 -2.702 -2.278 1.00 0.00 H new ATOM 1166 N GLU A 76 8.925 0.205 -4.261 1.00 0.00 N ATOM 1167 CA GLU A 76 8.427 1.566 -4.407 1.00 0.00 C ATOM 1168 C GLU A 76 6.985 1.594 -3.930 1.00 0.00 C ATOM 1169 O GLU A 76 6.251 0.620 -4.124 1.00 0.00 O ATOM 1170 CB GLU A 76 8.479 2.024 -5.871 1.00 0.00 C ATOM 1171 CG GLU A 76 8.890 3.500 -5.980 1.00 0.00 C ATOM 1172 CD GLU A 76 10.391 3.701 -5.753 1.00 0.00 C ATOM 1173 OE1 GLU A 76 11.189 3.124 -6.521 1.00 0.00 O ATOM 1174 OE2 GLU A 76 10.783 4.526 -4.896 1.00 0.00 O ATOM 0 H GLU A 76 8.419 -0.474 -4.830 1.00 0.00 H new ATOM 0 HA GLU A 76 9.052 2.239 -3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.187 1.406 -6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.503 1.881 -6.334 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.619 3.879 -6.966 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.332 4.086 -5.249 1.00 0.00 H new ATOM 1181 N LEU A 77 6.567 2.713 -3.341 1.00 0.00 N ATOM 1182 CA LEU A 77 5.225 2.891 -2.811 1.00 0.00 C ATOM 1183 C LEU A 77 4.563 4.040 -3.566 1.00 0.00 C ATOM 1184 O LEU A 77 5.161 5.111 -3.722 1.00 0.00 O ATOM 1185 CB LEU A 77 5.272 3.179 -1.302 1.00 0.00 C ATOM 1186 CG LEU A 77 5.450 1.957 -0.381 1.00 0.00 C ATOM 1187 CD1 LEU A 77 6.746 1.174 -0.586 1.00 0.00 C ATOM 1188 CD2 LEU A 77 5.413 2.445 1.070 1.00 0.00 C ATOM 0 H LEU A 77 7.164 3.531 -3.219 1.00 0.00 H new ATOM 0 HA LEU A 77 4.645 1.978 -2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.090 3.874 -1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.350 3.688 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 77 4.639 1.271 -0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.777 0.334 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.788 0.801 -1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.599 1.828 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.537 1.596 1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.220 3.159 1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.456 2.927 1.267 1.00 0.00 H new ATOM 1200 N TYR A 78 3.318 3.825 -3.981 1.00 0.00 N ATOM 1201 CA TYR A 78 2.472 4.721 -4.744 1.00 0.00 C ATOM 1202 C TYR A 78 1.106 4.815 -4.051 1.00 0.00 C ATOM 1203 O TYR A 78 0.785 4.022 -3.156 1.00 0.00 O ATOM 1204 CB TYR A 78 2.321 4.161 -6.161 1.00 0.00 C ATOM 1205 CG TYR A 78 3.623 3.897 -6.897 1.00 0.00 C ATOM 1206 CD1 TYR A 78 4.230 4.939 -7.624 1.00 0.00 C ATOM 1207 CD2 TYR A 78 4.208 2.611 -6.898 1.00 0.00 C ATOM 1208 CE1 TYR A 78 5.403 4.702 -8.362 1.00 0.00 C ATOM 1209 CE2 TYR A 78 5.353 2.365 -7.665 1.00 0.00 C ATOM 1210 CZ TYR A 78 5.959 3.405 -8.399 1.00 0.00 C ATOM 1211 OH TYR A 78 7.051 3.150 -9.165 1.00 0.00 O ATOM 0 H TYR A 78 2.842 2.947 -3.773 1.00 0.00 H new ATOM 0 HA TYR A 78 2.910 5.718 -4.801 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.758 3.229 -6.108 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.726 4.860 -6.749 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.792 5.926 -7.615 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.772 1.819 -6.308 1.00 0.00 H new ATOM 0 HE1 TYR A 78 5.877 5.510 -8.899 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.775 1.371 -7.695 1.00 0.00 H new ATOM 0 HH TYR A 78 7.302 2.207 -9.073 1.00 0.00 H new ATOM 1221 N ALA A 79 0.303 5.807 -4.436 1.00 0.00 N ATOM 1222 CA ALA A 79 -0.971 6.120 -3.808 1.00 0.00 C ATOM 1223 C ALA A 79 -1.975 6.491 -4.898 1.00 0.00 C ATOM 1224 O ALA A 79 -1.857 7.562 -5.507 1.00 0.00 O ATOM 1225 CB ALA A 79 -0.789 7.269 -2.805 1.00 0.00 C ATOM 0 H ALA A 79 0.530 6.428 -5.213 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.347 5.256 -3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.746 7.499 -2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.073 6.973 -2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.418 8.152 -3.326 1.00 0.00 H new ATOM 1231 N GLU A 80 -2.953 5.623 -5.132 1.00 0.00 N ATOM 1232 CA GLU A 80 -4.046 5.815 -6.074 1.00 0.00 C ATOM 1233 C GLU A 80 -5.297 6.164 -5.280 1.00 0.00 C ATOM 1234 O GLU A 80 -5.456 5.801 -4.106 1.00 0.00 O ATOM 1235 CB GLU A 80 -4.293 4.518 -6.858 1.00 0.00 C ATOM 1236 CG GLU A 80 -4.174 4.708 -8.377 1.00 0.00 C ATOM 1237 CD GLU A 80 -5.380 5.406 -9.007 1.00 0.00 C ATOM 1238 OE1 GLU A 80 -5.564 6.631 -8.792 1.00 0.00 O ATOM 1239 OE2 GLU A 80 -6.149 4.718 -9.721 1.00 0.00 O ATOM 0 H GLU A 80 -3.007 4.727 -4.648 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.799 6.612 -6.776 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.578 3.762 -6.534 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.287 4.139 -6.621 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.277 5.288 -8.592 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.044 3.733 -8.847 1.00 0.00 H new ATOM 1246 N LYS A 81 -6.200 6.897 -5.928 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.446 7.296 -5.313 1.00 0.00 C ATOM 1248 C LYS A 81 -8.512 6.308 -5.752 1.00 0.00 C ATOM 1249 O LYS A 81 -8.520 5.862 -6.901 1.00 0.00 O ATOM 1250 CB LYS A 81 -7.766 8.753 -5.645 1.00 0.00 C ATOM 1251 CG LYS A 81 -9.209 9.083 -5.244 1.00 0.00 C ATOM 1252 CD LYS A 81 -9.573 10.561 -5.266 1.00 0.00 C ATOM 1253 CE LYS A 81 -9.186 11.216 -6.595 1.00 0.00 C ATOM 1254 NZ LYS A 81 -9.900 12.483 -6.838 1.00 0.00 N ATOM 0 H LYS A 81 -6.082 7.225 -6.887 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.388 7.265 -4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.075 9.413 -5.121 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.628 8.929 -6.712 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.885 8.550 -5.913 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.386 8.698 -4.240 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.644 10.675 -5.102 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.069 11.073 -4.447 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.112 11.402 -6.604 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.396 10.524 -7.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.599 12.881 -7.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.925 12.306 -6.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.680 13.157 -6.077 1.00 0.00 H new ATOM 1268 N VAL A 82 -9.425 6.006 -4.844 1.00 0.00 N ATOM 1269 CA VAL A 82 -10.534 5.098 -5.084 1.00 0.00 C ATOM 1270 C VAL A 82 -11.684 5.882 -5.700 1.00 0.00 C ATOM 1271 O VAL A 82 -11.919 7.037 -5.330 1.00 0.00 O ATOM 1272 CB VAL A 82 -10.955 4.431 -3.762 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -9.828 3.530 -3.258 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -11.356 5.409 -2.665 1.00 0.00 C ATOM 0 H VAL A 82 -9.416 6.393 -3.900 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.237 4.309 -5.775 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.849 3.850 -3.990 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.129 3.059 -2.322 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.618 2.760 -4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.931 4.127 -3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.638 4.855 -1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -10.516 6.065 -2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.202 6.008 -3.003 1.00 0.00 H new ATOM 1284 N ALA A 83 -12.430 5.243 -6.594 1.00 0.00 N ATOM 1285 CA ALA A 83 -13.713 5.660 -7.139 1.00 0.00 C ATOM 1286 C ALA A 83 -14.170 4.583 -8.116 1.00 0.00 C ATOM 1287 O ALA A 83 -13.420 3.660 -8.433 1.00 0.00 O ATOM 1288 CB ALA A 83 -13.614 7.029 -7.827 1.00 0.00 C ATOM 0 H ALA A 83 -12.128 4.351 -6.986 1.00 0.00 H new ATOM 0 HA ALA A 83 -14.440 5.774 -6.335 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -14.590 7.309 -8.222 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.287 7.777 -7.104 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.894 6.975 -8.644 1.00 0.00 H new ATOM 1294 N THR A 84 -15.403 4.711 -8.588 1.00 0.00 N ATOM 1295 CA THR A 84 -16.025 3.770 -9.496 1.00 0.00 C ATOM 1296 C THR A 84 -16.839 4.580 -10.497 1.00 0.00 C ATOM 1297 O THR A 84 -17.712 5.352 -10.074 1.00 0.00 O ATOM 1298 CB THR A 84 -16.910 2.805 -8.687 1.00 0.00 C ATOM 1299 OG1 THR A 84 -17.818 3.546 -7.891 1.00 0.00 O ATOM 1300 CG2 THR A 84 -16.102 1.898 -7.758 1.00 0.00 C ATOM 0 H THR A 84 -16.009 5.493 -8.341 1.00 0.00 H new ATOM 0 HA THR A 84 -15.290 3.170 -10.032 1.00 0.00 H new ATOM 0 HB THR A 84 -17.430 2.178 -9.411 1.00 0.00 H new ATOM 0 HG1 THR A 84 -18.065 4.371 -8.359 1.00 0.00 H new ATOM 0 HG21 THR A 84 -16.779 1.240 -7.213 1.00 0.00 H new ATOM 0 HG22 THR A 84 -15.409 1.298 -8.348 1.00 0.00 H new ATOM 0 HG23 THR A 84 -15.542 2.509 -7.050 1.00 0.00 H new ATOM 1308 N ARG A 85 -16.597 4.419 -11.797 1.00 0.00 N ATOM 1309 CA ARG A 85 -17.453 4.963 -12.844 1.00 0.00 C ATOM 1310 C ARG A 85 -17.351 4.082 -14.077 1.00 0.00 C ATOM 1311 O ARG A 85 -16.253 3.662 -14.454 1.00 0.00 O ATOM 1312 CB ARG A 85 -17.044 6.410 -13.142 1.00 0.00 C ATOM 1313 CG ARG A 85 -17.995 7.090 -14.132 1.00 0.00 C ATOM 1314 CD ARG A 85 -18.020 8.602 -13.885 1.00 0.00 C ATOM 1315 NE ARG A 85 -19.061 9.280 -14.674 1.00 0.00 N ATOM 1316 CZ ARG A 85 -20.364 9.341 -14.362 1.00 0.00 C ATOM 1317 NH1 ARG A 85 -20.896 8.549 -13.436 1.00 0.00 N ATOM 1318 NH2 ARG A 85 -21.141 10.219 -14.976 1.00 0.00 N ATOM 0 H ARG A 85 -15.793 3.902 -12.154 1.00 0.00 H new ATOM 0 HA ARG A 85 -18.493 4.974 -12.519 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -17.024 6.978 -12.212 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -16.032 6.423 -13.546 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -17.675 6.886 -15.154 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -18.999 6.679 -14.024 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -18.189 8.792 -12.825 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -17.046 9.025 -14.133 1.00 0.00 H new ATOM 0 HE ARG A 85 -18.766 9.744 -15.533 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -20.310 7.875 -12.944 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -21.890 8.616 -13.218 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -20.748 10.843 -15.681 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -22.133 10.272 -14.745 1.00 0.00 H new ATOM 1332 N GLY A 86 -18.493 3.810 -14.694 1.00 0.00 N ATOM 1333 CA GLY A 86 -18.607 3.004 -15.888 1.00 0.00 C ATOM 1334 C GLY A 86 -19.764 3.562 -16.685 1.00 0.00 C ATOM 1335 O GLY A 86 -20.877 3.050 -16.580 1.00 0.00 O ATOM 0 H GLY A 86 -19.392 4.159 -14.361 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -17.685 3.041 -16.468 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -18.782 1.959 -15.633 1.00 0.00 H new ATOM 1339 N SER A 87 -19.538 4.678 -17.372 1.00 0.00 N ATOM 1340 CA SER A 87 -20.535 5.368 -18.177 1.00 0.00 C ATOM 1341 C SER A 87 -19.821 6.499 -18.905 1.00 0.00 C ATOM 1342 O SER A 87 -19.315 7.404 -18.233 1.00 0.00 O ATOM 1343 CB SER A 87 -21.663 5.935 -17.298 1.00 0.00 C ATOM 1344 OG SER A 87 -21.167 6.586 -16.136 1.00 0.00 O ATOM 0 H SER A 87 -18.628 5.139 -17.383 1.00 0.00 H new ATOM 0 HA SER A 87 -20.993 4.674 -18.881 1.00 0.00 H new ATOM 0 HB2 SER A 87 -22.256 6.640 -17.881 1.00 0.00 H new ATOM 0 HB3 SER A 87 -22.331 5.126 -17.001 1.00 0.00 H new ATOM 0 HG SER A 87 -20.369 7.105 -16.367 1.00 0.00 H new ATOM 1350 N GLY A 88 -19.764 6.441 -20.234 1.00 0.00 N ATOM 1351 CA GLY A 88 -19.213 7.520 -21.033 1.00 0.00 C ATOM 1352 C GLY A 88 -20.225 8.663 -21.059 1.00 0.00 C ATOM 1353 O GLY A 88 -21.366 8.419 -21.462 1.00 0.00 O ATOM 0 H GLY A 88 -20.098 5.647 -20.780 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -18.267 7.860 -20.611 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -19.005 7.174 -22.046 1.00 0.00 H new ATOM 1357 N PRO A 89 -19.881 9.878 -20.604 1.00 0.00 N ATOM 1358 CA PRO A 89 -20.728 11.046 -20.786 1.00 0.00 C ATOM 1359 C PRO A 89 -20.631 11.546 -22.231 1.00 0.00 C ATOM 1360 O PRO A 89 -19.727 11.161 -22.982 1.00 0.00 O ATOM 1361 CB PRO A 89 -20.172 12.085 -19.807 1.00 0.00 C ATOM 1362 CG PRO A 89 -18.676 11.786 -19.843 1.00 0.00 C ATOM 1363 CD PRO A 89 -18.642 10.263 -19.945 1.00 0.00 C ATOM 0 HA PRO A 89 -21.781 10.836 -20.599 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -20.392 13.104 -20.125 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -20.588 11.966 -18.806 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -18.188 12.260 -20.695 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -18.170 12.143 -18.946 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -17.776 9.929 -20.517 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -18.567 9.807 -18.958 1.00 0.00 H new ATOM 1371 N SER A 90 -21.519 12.474 -22.566 1.00 0.00 N ATOM 1372 CA SER A 90 -21.468 13.356 -23.718 1.00 0.00 C ATOM 1373 C SER A 90 -21.394 14.795 -23.184 1.00 0.00 C ATOM 1374 O SER A 90 -21.132 15.021 -21.996 1.00 0.00 O ATOM 1375 CB SER A 90 -22.701 13.084 -24.597 1.00 0.00 C ATOM 1376 OG SER A 90 -23.886 13.074 -23.819 1.00 0.00 O ATOM 0 H SER A 90 -22.350 12.639 -21.998 1.00 0.00 H new ATOM 0 HA SER A 90 -20.595 13.188 -24.349 1.00 0.00 H new ATOM 0 HB2 SER A 90 -22.776 13.848 -25.371 1.00 0.00 H new ATOM 0 HB3 SER A 90 -22.586 12.126 -25.104 1.00 0.00 H new ATOM 0 HG SER A 90 -24.657 12.901 -24.399 1.00 0.00 H new ATOM 1382 N SER A 91 -21.598 15.795 -24.034 1.00 0.00 N ATOM 1383 CA SER A 91 -21.979 17.141 -23.627 1.00 0.00 C ATOM 1384 C SER A 91 -22.934 17.667 -24.705 1.00 0.00 C ATOM 1385 O SER A 91 -22.935 17.132 -25.819 1.00 0.00 O ATOM 1386 CB SER A 91 -20.723 18.009 -23.445 1.00 0.00 C ATOM 1387 OG SER A 91 -19.813 17.379 -22.546 1.00 0.00 O ATOM 0 H SER A 91 -21.501 15.690 -25.044 1.00 0.00 H new ATOM 0 HA SER A 91 -22.487 17.159 -22.663 1.00 0.00 H new ATOM 0 HB2 SER A 91 -20.240 18.169 -24.409 1.00 0.00 H new ATOM 0 HB3 SER A 91 -21.003 18.990 -23.062 1.00 0.00 H new ATOM 0 HG SER A 91 -20.234 16.584 -22.158 1.00 0.00 H new ATOM 1393 N GLY A 92 -23.744 18.666 -24.370 1.00 0.00 N ATOM 1394 CA GLY A 92 -24.924 19.089 -25.100 1.00 0.00 C ATOM 1395 C GLY A 92 -25.946 19.512 -24.058 1.00 0.00 C ATOM 1396 O GLY A 92 -27.133 19.573 -24.426 1.00 0.00 O ATOM 0 H GLY A 92 -23.582 19.230 -23.536 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -24.690 19.915 -25.771 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -25.311 18.277 -25.716 1.00 0.00 H new TER 1400 GLY A 92