USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 783 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 62 ASN : amide:sc= 0.569 K(o=1.2,f=0.045) USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0.605 USER MOD Set 2.1: A 42 ASN : amide:sc= 0 X(o=0.87,f=0.79) USER MOD Set 2.2: A 48 SER OG : rot 72:sc= 0.867 USER MOD Set 3.1: A 36 ASN : amide:sc= -1.59! K(o=-0.87!,f=0.29) USER MOD Set 3.2: A 41 THR OG1 : rot 140:sc= 0.723 USER MOD Set 4.1: A 28 ASN : amide:sc= 0.931 K(o=1.2,f=-3) USER MOD Set 4.2: A 31 SER OG : rot 180:sc= 0.267 USER MOD Single : A 1 SER N :NH3+ -119:sc= 1.57 (180deg=-0.828) USER MOD Single : A 1 SER OG : rot 180:sc= 0.229 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0948 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.124 K(o=-0.12,f=-0.76) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.898 USER MOD Single : A 15 SER OG : rot -153:sc= 0.614 USER MOD Single : A 20 LYS NZ :NH3+ 171:sc= 1.22 (180deg=1.04) USER MOD Single : A 21 GLN : amide:sc= 0.0239 K(o=0.024,f=-2.6!) USER MOD Single : A 25 THR OG1 : rot 56:sc= 1.23 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.125 USER MOD Single : A 43 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.11 USER MOD Single : A 57 ASN : amide:sc= -0.16 K(o=-0.16,f=-0.84) USER MOD Single : A 60 SER OG : rot 58:sc= 0.646 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 69 LYS NZ :NH3+ -142:sc= -0.604! (180deg=-3.83!) USER MOD Single : A 71 SER OG : rot -130:sc= -0.8 USER MOD Single : A 75 GLN : amide:sc= -1.98! K(o=-2!,f=-0.024) USER MOD Single : A 84 HIS : no HD1:sc= -0.559 K(o=-0.56,f=0.071) USER MOD Single : A 85 THR OG1 : rot 174:sc= 1.56 USER MOD Single : A 92 LYS NZ :NH3+ -159:sc= 1.16 (180deg=0.995) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 104 ASN : amide:sc= -2.22 K(o=-2.2,f=-4.4!) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0.233 USER MOD Single : A 116 LYS NZ :NH3+ -137:sc= -0.102 (180deg=-1.08!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -2.366 -14.521 -12.097 1.00 0.00 N ATOM 2 CA SER A 1 -1.955 -15.646 -12.950 1.00 0.00 C ATOM 3 C SER A 1 -0.660 -16.259 -12.417 1.00 0.00 C ATOM 4 O SER A 1 -0.621 -16.736 -11.283 1.00 0.00 O ATOM 5 CB SER A 1 -1.786 -15.135 -14.378 1.00 0.00 C ATOM 6 OG SER A 1 -2.171 -13.769 -14.457 1.00 0.00 O ATOM 0 H1 SER A 1 -3.299 -14.722 -11.683 1.00 0.00 H new ATOM 0 H2 SER A 1 -1.670 -14.390 -11.335 1.00 0.00 H new ATOM 0 H3 SER A 1 -2.421 -13.654 -12.669 1.00 0.00 H new ATOM 0 HA SER A 1 -2.714 -16.428 -12.942 1.00 0.00 H new ATOM 0 HB2 SER A 1 -0.748 -15.247 -14.692 1.00 0.00 H new ATOM 0 HB3 SER A 1 -2.392 -15.732 -15.060 1.00 0.00 H new ATOM 0 HG SER A 1 -2.057 -13.450 -15.377 1.00 0.00 H new ATOM 14 N LEU A 2 0.400 -16.233 -13.217 1.00 0.00 N ATOM 15 CA LEU A 2 1.689 -16.743 -12.777 1.00 0.00 C ATOM 16 C LEU A 2 2.734 -15.636 -12.818 1.00 0.00 C ATOM 17 O LEU A 2 2.829 -14.896 -13.801 1.00 0.00 O ATOM 18 CB LEU A 2 2.135 -17.919 -13.650 1.00 0.00 C ATOM 19 CG LEU A 2 1.617 -19.288 -13.210 1.00 0.00 C ATOM 20 CD1 LEU A 2 2.332 -20.388 -13.965 1.00 0.00 C ATOM 21 CD2 LEU A 2 1.787 -19.475 -11.712 1.00 0.00 C ATOM 0 H LEU A 2 0.391 -15.866 -14.169 1.00 0.00 H new ATOM 0 HA LEU A 2 1.585 -17.096 -11.751 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.808 -17.736 -14.673 1.00 0.00 H new ATOM 0 HB3 LEU A 2 3.225 -17.948 -13.664 1.00 0.00 H new ATOM 0 HG LEU A 2 0.553 -19.341 -13.440 1.00 0.00 H new ATOM 0 HD11 LEU A 2 1.953 -21.357 -13.641 1.00 0.00 H new ATOM 0 HD12 LEU A 2 2.157 -20.269 -15.034 1.00 0.00 H new ATOM 0 HD13 LEU A 2 3.402 -20.331 -13.764 1.00 0.00 H new ATOM 0 HD21 LEU A 2 1.411 -20.456 -11.423 1.00 0.00 H new ATOM 0 HD22 LEU A 2 2.843 -19.400 -11.454 1.00 0.00 H new ATOM 0 HD23 LEU A 2 1.229 -18.703 -11.183 1.00 0.00 H new ATOM 33 N PRO A 3 3.518 -15.502 -11.742 1.00 0.00 N ATOM 34 CA PRO A 3 4.545 -14.465 -11.624 1.00 0.00 C ATOM 35 C PRO A 3 5.727 -14.700 -12.561 1.00 0.00 C ATOM 36 O PRO A 3 5.880 -15.779 -13.139 1.00 0.00 O ATOM 37 CB PRO A 3 5.008 -14.563 -10.162 1.00 0.00 C ATOM 38 CG PRO A 3 4.023 -15.456 -9.483 1.00 0.00 C ATOM 39 CD PRO A 3 3.468 -16.352 -10.549 1.00 0.00 C ATOM 0 HA PRO A 3 4.149 -13.486 -11.896 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.016 -14.972 -10.098 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.033 -13.579 -9.693 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.503 -16.038 -8.696 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.231 -14.875 -9.012 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.066 -17.256 -10.670 1.00 0.00 H new ATOM 0 HD3 PRO A 3 2.451 -16.671 -10.321 1.00 0.00 H new ATOM 47 N ALA A 4 6.561 -13.678 -12.700 1.00 0.00 N ATOM 48 CA ALA A 4 7.754 -13.769 -13.526 1.00 0.00 C ATOM 49 C ALA A 4 9.004 -13.803 -12.649 1.00 0.00 C ATOM 50 O ALA A 4 8.930 -14.153 -11.471 1.00 0.00 O ATOM 51 CB ALA A 4 7.807 -12.603 -14.501 1.00 0.00 C ATOM 0 H ALA A 4 6.431 -12.773 -12.248 1.00 0.00 H new ATOM 0 HA ALA A 4 7.716 -14.694 -14.101 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.705 -12.682 -15.114 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.926 -12.625 -15.143 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.828 -11.665 -13.946 1.00 0.00 H new ATOM 57 N SER A 5 10.144 -13.443 -13.221 1.00 0.00 N ATOM 58 CA SER A 5 11.399 -13.449 -12.486 1.00 0.00 C ATOM 59 C SER A 5 11.680 -12.077 -11.877 1.00 0.00 C ATOM 60 O SER A 5 11.741 -11.927 -10.656 1.00 0.00 O ATOM 61 CB SER A 5 12.540 -13.863 -13.417 1.00 0.00 C ATOM 62 OG SER A 5 12.188 -13.640 -14.774 1.00 0.00 O ATOM 0 H SER A 5 10.225 -13.143 -14.193 1.00 0.00 H new ATOM 0 HA SER A 5 11.323 -14.169 -11.671 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.439 -13.297 -13.172 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.775 -14.917 -13.266 1.00 0.00 H new ATOM 0 HG SER A 5 12.931 -13.909 -15.353 1.00 0.00 H new ATOM 68 N ALA A 6 11.815 -11.072 -12.736 1.00 0.00 N ATOM 69 CA ALA A 6 12.176 -9.729 -12.300 1.00 0.00 C ATOM 70 C ALA A 6 10.964 -8.958 -11.781 1.00 0.00 C ATOM 71 O ALA A 6 10.634 -7.881 -12.281 1.00 0.00 O ATOM 72 CB ALA A 6 12.838 -8.970 -13.441 1.00 0.00 C ATOM 0 H ALA A 6 11.679 -11.164 -13.743 1.00 0.00 H new ATOM 0 HA ALA A 6 12.882 -9.824 -11.475 1.00 0.00 H new ATOM 0 HB1 ALA A 6 13.104 -7.968 -13.105 1.00 0.00 H new ATOM 0 HB2 ALA A 6 13.738 -9.498 -13.755 1.00 0.00 H new ATOM 0 HB3 ALA A 6 12.147 -8.900 -14.281 1.00 0.00 H new ATOM 78 N ALA A 7 10.308 -9.512 -10.773 1.00 0.00 N ATOM 79 CA ALA A 7 9.158 -8.867 -10.158 1.00 0.00 C ATOM 80 C ALA A 7 9.440 -8.585 -8.686 1.00 0.00 C ATOM 81 O ALA A 7 9.033 -9.345 -7.808 1.00 0.00 O ATOM 82 CB ALA A 7 7.916 -9.733 -10.310 1.00 0.00 C ATOM 0 H ALA A 7 10.554 -10.412 -10.361 1.00 0.00 H new ATOM 0 HA ALA A 7 8.976 -7.919 -10.665 1.00 0.00 H new ATOM 0 HB1 ALA A 7 7.066 -9.235 -9.844 1.00 0.00 H new ATOM 0 HB2 ALA A 7 7.709 -9.890 -11.369 1.00 0.00 H new ATOM 0 HB3 ALA A 7 8.082 -10.696 -9.826 1.00 0.00 H new ATOM 88 N LYS A 8 10.148 -7.493 -8.426 1.00 0.00 N ATOM 89 CA LYS A 8 10.563 -7.153 -7.070 1.00 0.00 C ATOM 90 C LYS A 8 10.721 -5.646 -6.916 1.00 0.00 C ATOM 91 O LYS A 8 11.607 -5.171 -6.208 1.00 0.00 O ATOM 92 CB LYS A 8 11.883 -7.851 -6.737 1.00 0.00 C ATOM 93 CG LYS A 8 11.749 -8.924 -5.674 1.00 0.00 C ATOM 94 CD LYS A 8 12.919 -8.896 -4.708 1.00 0.00 C ATOM 95 CE LYS A 8 13.279 -10.295 -4.249 1.00 0.00 C ATOM 96 NZ LYS A 8 14.070 -10.287 -2.992 1.00 0.00 N ATOM 0 H LYS A 8 10.447 -6.826 -9.137 1.00 0.00 H new ATOM 0 HA LYS A 8 9.792 -7.492 -6.379 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.287 -8.299 -7.645 1.00 0.00 H new ATOM 0 HB3 LYS A 8 12.604 -7.106 -6.401 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.818 -8.780 -5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.691 -9.903 -6.149 1.00 0.00 H new ATOM 0 HD2 LYS A 8 13.781 -8.434 -5.189 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.668 -8.280 -3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.367 -10.872 -4.098 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.848 -10.797 -5.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.293 -11.265 -2.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 14.953 -9.759 -3.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.518 -9.832 -2.237 1.00 0.00 H new ATOM 110 N ASN A 9 9.850 -4.900 -7.574 1.00 0.00 N ATOM 111 CA ASN A 9 9.914 -3.441 -7.550 1.00 0.00 C ATOM 112 C ASN A 9 9.207 -2.874 -6.320 1.00 0.00 C ATOM 113 O ASN A 9 8.485 -1.879 -6.406 1.00 0.00 O ATOM 114 CB ASN A 9 9.296 -2.859 -8.827 1.00 0.00 C ATOM 115 CG ASN A 9 7.932 -3.447 -9.143 1.00 0.00 C ATOM 116 OD1 ASN A 9 7.827 -4.498 -9.777 1.00 0.00 O ATOM 117 ND2 ASN A 9 6.878 -2.777 -8.704 1.00 0.00 N ATOM 0 H ASN A 9 9.086 -5.278 -8.134 1.00 0.00 H new ATOM 0 HA ASN A 9 10.964 -3.154 -7.499 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.205 -1.778 -8.721 1.00 0.00 H new ATOM 0 HB3 ASN A 9 9.968 -3.041 -9.666 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.938 -3.128 -8.888 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.006 -1.910 -8.182 1.00 0.00 H new ATOM 124 N ALA A 10 9.430 -3.502 -5.173 1.00 0.00 N ATOM 125 CA ALA A 10 8.813 -3.075 -3.928 1.00 0.00 C ATOM 126 C ALA A 10 9.878 -2.790 -2.876 1.00 0.00 C ATOM 127 O ALA A 10 10.820 -3.566 -2.709 1.00 0.00 O ATOM 128 CB ALA A 10 7.841 -4.133 -3.428 1.00 0.00 C ATOM 0 H ALA A 10 10.039 -4.315 -5.081 1.00 0.00 H new ATOM 0 HA ALA A 10 8.258 -2.156 -4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.387 -3.798 -2.495 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.062 -4.293 -4.174 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.376 -5.067 -3.257 1.00 0.00 H new ATOM 134 N LYS A 11 9.728 -1.671 -2.176 1.00 0.00 N ATOM 135 CA LYS A 11 10.684 -1.274 -1.147 1.00 0.00 C ATOM 136 C LYS A 11 9.956 -0.728 0.075 1.00 0.00 C ATOM 137 O LYS A 11 9.997 -1.332 1.144 1.00 0.00 O ATOM 138 CB LYS A 11 11.653 -0.220 -1.689 1.00 0.00 C ATOM 139 CG LYS A 11 12.735 -0.792 -2.590 1.00 0.00 C ATOM 140 CD LYS A 11 13.284 0.259 -3.540 1.00 0.00 C ATOM 141 CE LYS A 11 13.789 -0.367 -4.833 1.00 0.00 C ATOM 142 NZ LYS A 11 15.254 -0.181 -5.014 1.00 0.00 N ATOM 0 H LYS A 11 8.952 -1.021 -2.302 1.00 0.00 H new ATOM 0 HA LYS A 11 11.253 -2.156 -0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.088 0.529 -2.244 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.124 0.293 -0.851 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.545 -1.190 -1.979 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.329 -1.625 -3.163 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.506 0.988 -3.767 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.096 0.801 -3.055 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.557 -1.432 -4.834 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.261 0.075 -5.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.552 -0.623 -5.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.474 0.835 -5.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.761 -0.625 -4.222 1.00 0.00 H new ATOM 156 N LEU A 12 9.316 0.433 -0.102 1.00 0.00 N ATOM 157 CA LEU A 12 8.503 1.078 0.937 1.00 0.00 C ATOM 158 C LEU A 12 9.371 1.727 2.016 1.00 0.00 C ATOM 159 O LEU A 12 9.203 2.906 2.326 1.00 0.00 O ATOM 160 CB LEU A 12 7.514 0.089 1.568 1.00 0.00 C ATOM 161 CG LEU A 12 6.082 0.610 1.723 1.00 0.00 C ATOM 162 CD1 LEU A 12 6.047 1.791 2.680 1.00 0.00 C ATOM 163 CD2 LEU A 12 5.502 1.003 0.373 1.00 0.00 C ATOM 0 H LEU A 12 9.347 0.956 -0.977 1.00 0.00 H new ATOM 0 HA LEU A 12 7.933 1.867 0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.491 -0.815 0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.888 -0.197 2.551 1.00 0.00 H new ATOM 0 HG LEU A 12 5.470 -0.191 2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.022 2.149 2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.418 1.479 3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.675 2.593 2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.484 1.370 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.115 1.787 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.490 0.134 -0.285 1.00 0.00 H new ATOM 175 N ALA A 13 10.300 0.966 2.578 1.00 0.00 N ATOM 176 CA ALA A 13 11.176 1.477 3.626 1.00 0.00 C ATOM 177 C ALA A 13 12.063 2.602 3.098 1.00 0.00 C ATOM 178 O ALA A 13 12.379 3.551 3.814 1.00 0.00 O ATOM 179 CB ALA A 13 12.027 0.356 4.198 1.00 0.00 C ATOM 0 H ALA A 13 10.467 -0.008 2.326 1.00 0.00 H new ATOM 0 HA ALA A 13 10.551 1.883 4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.675 0.754 4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 13 11.380 -0.413 4.620 1.00 0.00 H new ATOM 0 HB3 ALA A 13 12.637 -0.078 3.406 1.00 0.00 H new ATOM 185 N THR A 14 12.441 2.489 1.834 1.00 0.00 N ATOM 186 CA THR A 14 13.300 3.471 1.193 1.00 0.00 C ATOM 187 C THR A 14 12.488 4.590 0.539 1.00 0.00 C ATOM 188 O THR A 14 13.048 5.557 0.026 1.00 0.00 O ATOM 189 CB THR A 14 14.177 2.790 0.129 1.00 0.00 C ATOM 190 OG1 THR A 14 13.839 1.395 0.054 1.00 0.00 O ATOM 191 CG2 THR A 14 15.649 2.942 0.475 1.00 0.00 C ATOM 0 H THR A 14 12.162 1.718 1.227 1.00 0.00 H new ATOM 0 HA THR A 14 13.929 3.912 1.967 1.00 0.00 H new ATOM 0 HB THR A 14 13.996 3.265 -0.835 1.00 0.00 H new ATOM 0 HG1 THR A 14 14.396 0.960 -0.625 1.00 0.00 H new ATOM 0 HG21 THR A 14 16.255 2.454 -0.289 1.00 0.00 H new ATOM 0 HG22 THR A 14 15.905 4.001 0.519 1.00 0.00 H new ATOM 0 HG23 THR A 14 15.845 2.480 1.443 1.00 0.00 H new ATOM 199 N SER A 15 11.169 4.455 0.564 1.00 0.00 N ATOM 200 CA SER A 15 10.292 5.440 -0.047 1.00 0.00 C ATOM 201 C SER A 15 10.042 6.618 0.896 1.00 0.00 C ATOM 202 O SER A 15 9.112 6.592 1.704 1.00 0.00 O ATOM 203 CB SER A 15 8.957 4.796 -0.426 1.00 0.00 C ATOM 204 OG SER A 15 9.139 3.532 -1.042 1.00 0.00 O ATOM 0 H SER A 15 10.684 3.672 1.002 1.00 0.00 H new ATOM 0 HA SER A 15 10.784 5.814 -0.945 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.343 4.680 0.467 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.414 5.456 -1.103 1.00 0.00 H new ATOM 0 HG SER A 15 8.384 3.347 -1.639 1.00 0.00 H new ATOM 210 N ALA A 16 10.861 7.655 0.780 1.00 0.00 N ATOM 211 CA ALA A 16 10.674 8.861 1.575 1.00 0.00 C ATOM 212 C ALA A 16 9.446 9.610 1.086 1.00 0.00 C ATOM 213 O ALA A 16 8.749 10.268 1.857 1.00 0.00 O ATOM 214 CB ALA A 16 11.903 9.754 1.506 1.00 0.00 C ATOM 0 H ALA A 16 11.659 7.685 0.145 1.00 0.00 H new ATOM 0 HA ALA A 16 10.528 8.573 2.616 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.738 10.648 2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.768 9.213 1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.085 10.042 0.471 1.00 0.00 H new ATOM 220 N ALA A 17 9.186 9.493 -0.206 1.00 0.00 N ATOM 221 CA ALA A 17 8.010 10.095 -0.809 1.00 0.00 C ATOM 222 C ALA A 17 6.730 9.431 -0.305 1.00 0.00 C ATOM 223 O ALA A 17 5.692 10.080 -0.185 1.00 0.00 O ATOM 224 CB ALA A 17 8.104 10.009 -2.319 1.00 0.00 C ATOM 0 H ALA A 17 9.779 8.983 -0.861 1.00 0.00 H new ATOM 0 HA ALA A 17 7.971 11.145 -0.518 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.219 10.462 -2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.994 10.539 -2.659 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.167 8.963 -2.621 1.00 0.00 H new ATOM 230 N PHE A 18 6.803 8.141 0.002 1.00 0.00 N ATOM 231 CA PHE A 18 5.659 7.436 0.568 1.00 0.00 C ATOM 232 C PHE A 18 5.456 7.860 2.020 1.00 0.00 C ATOM 233 O PHE A 18 4.333 7.955 2.504 1.00 0.00 O ATOM 234 CB PHE A 18 5.852 5.922 0.483 1.00 0.00 C ATOM 235 CG PHE A 18 4.575 5.137 0.616 1.00 0.00 C ATOM 236 CD1 PHE A 18 3.811 4.826 -0.500 1.00 0.00 C ATOM 237 CD2 PHE A 18 4.133 4.720 1.860 1.00 0.00 C ATOM 238 CE1 PHE A 18 2.639 4.104 -0.375 1.00 0.00 C ATOM 239 CE2 PHE A 18 2.962 4.000 1.991 1.00 0.00 C ATOM 240 CZ PHE A 18 2.211 3.696 0.873 1.00 0.00 C ATOM 0 H PHE A 18 7.635 7.566 -0.130 1.00 0.00 H new ATOM 0 HA PHE A 18 4.773 7.697 -0.010 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.319 5.678 -0.471 1.00 0.00 H new ATOM 0 HB3 PHE A 18 6.543 5.609 1.266 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.136 5.152 -1.477 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.712 4.961 2.739 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.059 3.859 -1.252 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.634 3.675 2.967 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.291 3.140 0.974 1.00 0.00 H new ATOM 250 N ALA A 19 6.558 8.117 2.713 1.00 0.00 N ATOM 251 CA ALA A 19 6.498 8.651 4.068 1.00 0.00 C ATOM 252 C ALA A 19 5.973 10.084 4.054 1.00 0.00 C ATOM 253 O ALA A 19 5.344 10.542 5.009 1.00 0.00 O ATOM 254 CB ALA A 19 7.866 8.595 4.720 1.00 0.00 C ATOM 0 H ALA A 19 7.503 7.965 2.360 1.00 0.00 H new ATOM 0 HA ALA A 19 5.811 8.037 4.651 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.804 8.997 5.731 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.207 7.561 4.761 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.572 9.187 4.137 1.00 0.00 H new ATOM 260 N LYS A 20 6.238 10.787 2.958 1.00 0.00 N ATOM 261 CA LYS A 20 5.701 12.123 2.751 1.00 0.00 C ATOM 262 C LYS A 20 4.195 12.024 2.594 1.00 0.00 C ATOM 263 O LYS A 20 3.441 12.855 3.096 1.00 0.00 O ATOM 264 CB LYS A 20 6.321 12.755 1.503 1.00 0.00 C ATOM 265 CG LYS A 20 6.770 14.194 1.694 1.00 0.00 C ATOM 266 CD LYS A 20 6.964 14.889 0.355 1.00 0.00 C ATOM 267 CE LYS A 20 8.112 15.883 0.394 1.00 0.00 C ATOM 268 NZ LYS A 20 7.951 16.960 -0.621 1.00 0.00 N ATOM 0 H LYS A 20 6.826 10.449 2.196 1.00 0.00 H new ATOM 0 HA LYS A 20 5.942 12.752 3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.178 12.156 1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.595 12.717 0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.029 14.734 2.284 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.703 14.215 2.257 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.155 14.143 -0.417 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.045 15.406 0.078 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.173 16.327 1.387 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.052 15.359 0.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.668 17.696 -0.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.070 16.560 -1.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.002 17.377 -0.537 1.00 0.00 H new ATOM 282 N GLN A 21 3.780 10.973 1.908 1.00 0.00 N ATOM 283 CA GLN A 21 2.375 10.665 1.715 1.00 0.00 C ATOM 284 C GLN A 21 1.685 10.412 3.054 1.00 0.00 C ATOM 285 O GLN A 21 0.525 10.778 3.246 1.00 0.00 O ATOM 286 CB GLN A 21 2.248 9.438 0.812 1.00 0.00 C ATOM 287 CG GLN A 21 1.482 9.705 -0.469 1.00 0.00 C ATOM 288 CD GLN A 21 2.052 8.970 -1.670 1.00 0.00 C ATOM 289 OE1 GLN A 21 2.693 7.927 -1.538 1.00 0.00 O ATOM 290 NE2 GLN A 21 1.818 9.511 -2.855 1.00 0.00 N ATOM 0 H GLN A 21 4.413 10.306 1.467 1.00 0.00 H new ATOM 0 HA GLN A 21 1.887 11.517 1.243 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.245 9.077 0.561 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.750 8.641 1.364 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.442 9.411 -0.331 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.486 10.776 -0.671 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.283 10.376 -2.924 1.00 0.00 H new ATOM 0 HE22 GLN A 21 2.173 9.062 -3.699 1.00 0.00 H new ATOM 299 N ALA A 22 2.418 9.809 3.982 1.00 0.00 N ATOM 300 CA ALA A 22 1.880 9.478 5.298 1.00 0.00 C ATOM 301 C ALA A 22 1.746 10.718 6.176 1.00 0.00 C ATOM 302 O ALA A 22 1.122 10.674 7.238 1.00 0.00 O ATOM 303 CB ALA A 22 2.762 8.441 5.982 1.00 0.00 C ATOM 0 H ALA A 22 3.392 9.538 3.847 1.00 0.00 H new ATOM 0 HA ALA A 22 0.883 9.061 5.155 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.350 8.203 6.963 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.799 7.537 5.374 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.769 8.841 6.099 1.00 0.00 H new ATOM 309 N GLU A 23 2.334 11.820 5.738 1.00 0.00 N ATOM 310 CA GLU A 23 2.281 13.057 6.501 1.00 0.00 C ATOM 311 C GLU A 23 1.425 14.102 5.795 1.00 0.00 C ATOM 312 O GLU A 23 0.742 14.896 6.444 1.00 0.00 O ATOM 313 CB GLU A 23 3.686 13.595 6.736 1.00 0.00 C ATOM 314 CG GLU A 23 4.015 13.770 8.204 1.00 0.00 C ATOM 315 CD GLU A 23 4.510 15.163 8.519 1.00 0.00 C ATOM 316 OE1 GLU A 23 5.691 15.456 8.241 1.00 0.00 O ATOM 317 OE2 GLU A 23 3.725 15.964 9.062 1.00 0.00 O ATOM 0 H GLU A 23 2.852 11.883 4.861 1.00 0.00 H new ATOM 0 HA GLU A 23 1.821 12.839 7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.409 12.915 6.286 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.791 14.554 6.229 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.128 13.559 8.801 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.774 13.043 8.493 1.00 0.00 H new ATOM 324 N GLY A 24 1.476 14.100 4.466 1.00 0.00 N ATOM 325 CA GLY A 24 0.632 14.985 3.686 1.00 0.00 C ATOM 326 C GLY A 24 -0.826 14.637 3.859 1.00 0.00 C ATOM 327 O GLY A 24 -1.696 15.511 3.855 1.00 0.00 O ATOM 0 H GLY A 24 2.089 13.499 3.915 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.801 16.017 3.992 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.903 14.916 2.632 1.00 0.00 H new ATOM 331 N THR A 25 -1.091 13.351 4.013 1.00 0.00 N ATOM 332 CA THR A 25 -2.429 12.877 4.296 1.00 0.00 C ATOM 333 C THR A 25 -2.445 12.172 5.649 1.00 0.00 C ATOM 334 O THR A 25 -1.601 11.318 5.917 1.00 0.00 O ATOM 335 CB THR A 25 -2.936 11.931 3.190 1.00 0.00 C ATOM 336 OG1 THR A 25 -1.866 11.592 2.299 1.00 0.00 O ATOM 337 CG2 THR A 25 -4.058 12.580 2.395 1.00 0.00 C ATOM 0 H THR A 25 -0.389 12.614 3.946 1.00 0.00 H new ATOM 0 HA THR A 25 -3.100 13.735 4.326 1.00 0.00 H new ATOM 0 HB THR A 25 -3.315 11.028 3.669 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.126 11.202 2.810 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.399 11.893 1.620 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.887 12.816 3.062 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.693 13.497 1.932 1.00 0.00 H new ATOM 345 N THR A 26 -3.391 12.551 6.502 1.00 0.00 N ATOM 346 CA THR A 26 -3.401 12.106 7.890 1.00 0.00 C ATOM 347 C THR A 26 -3.705 10.611 8.034 1.00 0.00 C ATOM 348 O THR A 26 -4.863 10.186 8.010 1.00 0.00 O ATOM 349 CB THR A 26 -4.405 12.926 8.719 1.00 0.00 C ATOM 350 OG1 THR A 26 -4.275 14.317 8.386 1.00 0.00 O ATOM 351 CG2 THR A 26 -4.166 12.737 10.212 1.00 0.00 C ATOM 0 H THR A 26 -4.164 13.168 6.254 1.00 0.00 H new ATOM 0 HA THR A 26 -2.393 12.270 8.271 1.00 0.00 H new ATOM 0 HB THR A 26 -5.411 12.578 8.485 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.915 14.840 8.912 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.889 13.328 10.774 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.280 11.684 10.468 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.157 13.064 10.463 1.00 0.00 H new ATOM 359 N CYS A 27 -2.642 9.835 8.188 1.00 0.00 N ATOM 360 CA CYS A 27 -2.728 8.406 8.449 1.00 0.00 C ATOM 361 C CYS A 27 -1.589 8.013 9.384 1.00 0.00 C ATOM 362 O CYS A 27 -0.816 8.873 9.811 1.00 0.00 O ATOM 363 CB CYS A 27 -2.641 7.603 7.143 1.00 0.00 C ATOM 364 SG CYS A 27 -4.092 7.758 6.044 1.00 0.00 S ATOM 0 H CYS A 27 -1.685 10.184 8.135 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.688 8.182 8.913 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.754 7.922 6.596 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.502 6.550 7.390 1.00 0.00 H new ATOM 369 N ASN A 28 -1.473 6.735 9.713 1.00 0.00 N ATOM 370 CA ASN A 28 -0.413 6.289 10.609 1.00 0.00 C ATOM 371 C ASN A 28 0.721 5.661 9.810 1.00 0.00 C ATOM 372 O ASN A 28 0.493 5.101 8.743 1.00 0.00 O ATOM 373 CB ASN A 28 -0.956 5.296 11.643 1.00 0.00 C ATOM 374 CG ASN A 28 0.106 4.828 12.626 1.00 0.00 C ATOM 375 OD1 ASN A 28 1.026 5.569 12.969 1.00 0.00 O ATOM 376 ND2 ASN A 28 -0.014 3.594 13.081 1.00 0.00 N ATOM 0 H ASN A 28 -2.091 5.995 9.379 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.026 7.156 11.144 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.773 5.762 12.193 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.372 4.431 11.126 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.671 3.225 13.741 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.791 3.010 12.773 1.00 0.00 H new ATOM 383 N VAL A 29 1.937 5.763 10.333 1.00 0.00 N ATOM 384 CA VAL A 29 3.116 5.254 9.650 1.00 0.00 C ATOM 385 C VAL A 29 3.108 3.722 9.620 1.00 0.00 C ATOM 386 O VAL A 29 3.616 3.111 8.680 1.00 0.00 O ATOM 387 CB VAL A 29 4.417 5.797 10.305 1.00 0.00 C ATOM 388 CG1 VAL A 29 5.312 4.684 10.841 1.00 0.00 C ATOM 389 CG2 VAL A 29 5.180 6.657 9.312 1.00 0.00 C ATOM 0 H VAL A 29 2.131 6.197 11.235 1.00 0.00 H new ATOM 0 HA VAL A 29 3.091 5.609 8.620 1.00 0.00 H new ATOM 0 HB VAL A 29 4.119 6.403 11.160 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.206 5.119 11.288 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.771 4.113 11.596 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.600 4.023 10.023 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.090 7.033 9.780 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.441 6.059 8.439 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.557 7.497 9.004 1.00 0.00 H new ATOM 399 N GLY A 30 2.527 3.111 10.652 1.00 0.00 N ATOM 400 CA GLY A 30 2.390 1.666 10.672 1.00 0.00 C ATOM 401 C GLY A 30 1.209 1.222 9.841 1.00 0.00 C ATOM 402 O GLY A 30 1.324 0.344 8.985 1.00 0.00 O ATOM 0 H GLY A 30 2.151 3.590 11.470 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.301 1.206 10.290 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.266 1.323 11.699 1.00 0.00 H new ATOM 406 N SER A 31 0.077 1.857 10.083 1.00 0.00 N ATOM 407 CA SER A 31 -1.143 1.563 9.356 1.00 0.00 C ATOM 408 C SER A 31 -1.225 2.397 8.075 1.00 0.00 C ATOM 409 O SER A 31 -2.215 3.091 7.835 1.00 0.00 O ATOM 410 CB SER A 31 -2.348 1.840 10.257 1.00 0.00 C ATOM 411 OG SER A 31 -1.929 2.248 11.551 1.00 0.00 O ATOM 0 H SER A 31 -0.022 2.589 10.787 1.00 0.00 H new ATOM 0 HA SER A 31 -1.143 0.511 9.069 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.971 2.615 9.811 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.963 0.943 10.335 1.00 0.00 H new ATOM 0 HG SER A 31 -2.715 2.421 12.110 1.00 0.00 H new ATOM 417 N ILE A 32 -0.187 2.326 7.252 1.00 0.00 N ATOM 418 CA ILE A 32 -0.151 3.087 6.013 1.00 0.00 C ATOM 419 C ILE A 32 -0.312 2.163 4.807 1.00 0.00 C ATOM 420 O ILE A 32 0.217 1.047 4.787 1.00 0.00 O ATOM 421 CB ILE A 32 1.151 3.918 5.896 1.00 0.00 C ATOM 422 CG1 ILE A 32 0.987 5.041 4.870 1.00 0.00 C ATOM 423 CG2 ILE A 32 2.345 3.037 5.545 1.00 0.00 C ATOM 424 CD1 ILE A 32 -0.126 6.010 5.202 1.00 0.00 C ATOM 0 H ILE A 32 0.638 1.751 7.420 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.989 3.784 6.028 1.00 0.00 H new ATOM 0 HB ILE A 32 1.345 4.367 6.870 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.925 5.591 4.794 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.794 4.602 3.891 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.242 3.652 5.471 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.484 2.286 6.322 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.164 2.543 4.591 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.182 6.778 4.430 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.074 5.473 5.250 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.075 6.478 6.166 1.00 0.00 H new ATOM 436 N ALA A 33 -1.079 2.605 3.819 1.00 0.00 N ATOM 437 CA ALA A 33 -1.346 1.784 2.653 1.00 0.00 C ATOM 438 C ALA A 33 -1.577 2.622 1.408 1.00 0.00 C ATOM 439 O ALA A 33 -1.503 3.850 1.440 1.00 0.00 O ATOM 440 CB ALA A 33 -2.552 0.900 2.901 1.00 0.00 C ATOM 0 H ALA A 33 -1.524 3.523 3.804 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.464 1.167 2.483 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.743 0.289 2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.359 0.253 3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.423 1.522 3.106 1.00 0.00 H new ATOM 446 N CYS A 34 -1.852 1.937 0.312 1.00 0.00 N ATOM 447 CA CYS A 34 -2.266 2.577 -0.920 1.00 0.00 C ATOM 448 C CYS A 34 -3.475 1.833 -1.469 1.00 0.00 C ATOM 449 O CYS A 34 -3.499 0.599 -1.476 1.00 0.00 O ATOM 450 CB CYS A 34 -1.128 2.574 -1.942 1.00 0.00 C ATOM 451 SG CYS A 34 -1.493 3.502 -3.468 1.00 0.00 S ATOM 0 H CYS A 34 -1.794 0.920 0.253 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.528 3.616 -0.721 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.237 2.996 -1.478 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.893 1.543 -2.205 1.00 0.00 H new ATOM 456 N CYS A 35 -4.485 2.569 -1.887 1.00 0.00 N ATOM 457 CA CYS A 35 -5.687 1.966 -2.430 1.00 0.00 C ATOM 458 C CYS A 35 -5.735 2.155 -3.939 1.00 0.00 C ATOM 459 O CYS A 35 -5.294 3.178 -4.465 1.00 0.00 O ATOM 460 CB CYS A 35 -6.935 2.574 -1.788 1.00 0.00 C ATOM 461 SG CYS A 35 -7.166 2.132 -0.036 1.00 0.00 S ATOM 0 H CYS A 35 -4.498 3.589 -1.861 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.666 0.900 -2.205 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.881 3.659 -1.873 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.812 2.253 -2.350 1.00 0.00 H new ATOM 466 N ASN A 36 -6.269 1.165 -4.630 1.00 0.00 N ATOM 467 CA ASN A 36 -6.375 1.211 -6.077 1.00 0.00 C ATOM 468 C ASN A 36 -7.724 0.649 -6.504 1.00 0.00 C ATOM 469 O ASN A 36 -8.300 -0.181 -5.792 1.00 0.00 O ATOM 470 CB ASN A 36 -5.219 0.419 -6.711 1.00 0.00 C ATOM 471 CG ASN A 36 -5.326 0.317 -8.221 1.00 0.00 C ATOM 472 OD1 ASN A 36 -5.161 1.304 -8.938 1.00 0.00 O ATOM 473 ND2 ASN A 36 -5.597 -0.880 -8.714 1.00 0.00 N ATOM 0 H ASN A 36 -6.639 0.313 -4.209 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.306 2.243 -6.420 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.274 0.896 -6.451 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.197 -0.584 -6.286 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.676 -1.010 -9.723 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.727 -1.673 -8.086 1.00 0.00 H new ATOM 480 N SER A 37 -8.230 1.135 -7.633 1.00 0.00 N ATOM 481 CA SER A 37 -9.513 0.704 -8.191 1.00 0.00 C ATOM 482 C SER A 37 -9.704 -0.818 -8.114 1.00 0.00 C ATOM 483 O SER A 37 -8.773 -1.594 -8.353 1.00 0.00 O ATOM 484 CB SER A 37 -9.610 1.187 -9.635 1.00 0.00 C ATOM 485 OG SER A 37 -8.579 2.125 -9.914 1.00 0.00 O ATOM 0 H SER A 37 -7.759 1.845 -8.193 1.00 0.00 H new ATOM 0 HA SER A 37 -10.311 1.145 -7.594 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.532 0.339 -10.315 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.584 1.645 -9.807 1.00 0.00 H new ATOM 0 HG SER A 37 -8.653 2.425 -10.844 1.00 0.00 H new ATOM 491 N PRO A 38 -10.930 -1.255 -7.768 1.00 0.00 N ATOM 492 CA PRO A 38 -11.237 -2.660 -7.470 1.00 0.00 C ATOM 493 C PRO A 38 -10.960 -3.615 -8.626 1.00 0.00 C ATOM 494 O PRO A 38 -10.431 -4.698 -8.411 1.00 0.00 O ATOM 495 CB PRO A 38 -12.735 -2.646 -7.138 1.00 0.00 C ATOM 496 CG PRO A 38 -13.253 -1.378 -7.721 1.00 0.00 C ATOM 497 CD PRO A 38 -12.122 -0.399 -7.640 1.00 0.00 C ATOM 0 HA PRO A 38 -10.603 -3.028 -6.663 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.241 -3.511 -7.566 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.900 -2.680 -6.061 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.571 -1.524 -8.753 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -14.121 -1.019 -7.168 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.173 0.343 -8.437 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.127 0.146 -6.696 1.00 0.00 H new ATOM 505 N ALA A 39 -11.288 -3.207 -9.844 1.00 0.00 N ATOM 506 CA ALA A 39 -11.177 -4.091 -11.000 1.00 0.00 C ATOM 507 C ALA A 39 -9.721 -4.416 -11.323 1.00 0.00 C ATOM 508 O ALA A 39 -9.422 -5.399 -12.000 1.00 0.00 O ATOM 509 CB ALA A 39 -11.861 -3.466 -12.205 1.00 0.00 C ATOM 0 H ALA A 39 -11.633 -2.271 -10.059 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.676 -5.028 -10.753 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -11.772 -4.134 -13.061 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.915 -3.302 -11.981 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.387 -2.512 -12.438 1.00 0.00 H new ATOM 515 N GLU A 40 -8.827 -3.583 -10.832 1.00 0.00 N ATOM 516 CA GLU A 40 -7.408 -3.751 -11.071 1.00 0.00 C ATOM 517 C GLU A 40 -6.746 -4.393 -9.858 1.00 0.00 C ATOM 518 O GLU A 40 -5.878 -5.254 -9.985 1.00 0.00 O ATOM 519 CB GLU A 40 -6.768 -2.396 -11.370 1.00 0.00 C ATOM 520 CG GLU A 40 -7.151 -1.810 -12.721 1.00 0.00 C ATOM 521 CD GLU A 40 -8.570 -1.267 -12.770 1.00 0.00 C ATOM 522 OE1 GLU A 40 -9.146 -0.982 -11.699 1.00 0.00 O ATOM 523 OE2 GLU A 40 -9.113 -1.124 -13.886 1.00 0.00 O ATOM 0 H GLU A 40 -9.062 -2.773 -10.258 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.266 -4.405 -11.932 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.052 -1.692 -10.588 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.684 -2.501 -11.326 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.456 -1.008 -12.970 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.039 -2.578 -13.486 1.00 0.00 H new ATOM 530 N THR A 41 -7.176 -3.969 -8.680 1.00 0.00 N ATOM 531 CA THR A 41 -6.696 -4.537 -7.428 1.00 0.00 C ATOM 532 C THR A 41 -7.114 -6.006 -7.306 1.00 0.00 C ATOM 533 O THR A 41 -6.374 -6.841 -6.787 1.00 0.00 O ATOM 534 CB THR A 41 -7.253 -3.730 -6.237 1.00 0.00 C ATOM 535 OG1 THR A 41 -6.701 -2.409 -6.253 1.00 0.00 O ATOM 536 CG2 THR A 41 -6.944 -4.403 -4.905 1.00 0.00 C ATOM 0 H THR A 41 -7.864 -3.225 -8.564 1.00 0.00 H new ATOM 0 HA THR A 41 -5.607 -4.485 -7.419 1.00 0.00 H new ATOM 0 HB THR A 41 -8.337 -3.682 -6.341 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.395 -1.761 -6.011 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.353 -3.804 -4.091 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.394 -5.396 -4.886 1.00 0.00 H new ATOM 0 HG23 THR A 41 -5.864 -4.491 -4.784 1.00 0.00 H new ATOM 544 N ASN A 42 -8.299 -6.303 -7.812 1.00 0.00 N ATOM 545 CA ASN A 42 -8.871 -7.643 -7.738 1.00 0.00 C ATOM 546 C ASN A 42 -8.770 -8.350 -9.081 1.00 0.00 C ATOM 547 O ASN A 42 -9.453 -9.347 -9.327 1.00 0.00 O ATOM 548 CB ASN A 42 -10.332 -7.566 -7.315 1.00 0.00 C ATOM 549 CG ASN A 42 -10.543 -7.997 -5.878 1.00 0.00 C ATOM 550 OD1 ASN A 42 -11.152 -9.033 -5.604 1.00 0.00 O ATOM 551 ND2 ASN A 42 -10.025 -7.210 -4.951 1.00 0.00 N ATOM 0 H ASN A 42 -8.894 -5.624 -8.286 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.307 -8.211 -6.999 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.690 -6.544 -7.441 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.931 -8.197 -7.972 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.122 -7.451 -3.965 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.528 -6.361 -5.222 1.00 0.00 H new ATOM 558 N ASN A 43 -7.930 -7.804 -9.949 1.00 0.00 N ATOM 559 CA ASN A 43 -7.785 -8.288 -11.329 1.00 0.00 C ATOM 560 C ASN A 43 -7.346 -9.749 -11.379 1.00 0.00 C ATOM 561 O ASN A 43 -7.603 -10.455 -12.354 1.00 0.00 O ATOM 562 CB ASN A 43 -6.762 -7.430 -12.077 1.00 0.00 C ATOM 563 CG ASN A 43 -6.973 -7.419 -13.580 1.00 0.00 C ATOM 564 OD1 ASN A 43 -6.252 -8.082 -14.332 1.00 0.00 O ATOM 565 ND2 ASN A 43 -7.949 -6.654 -14.031 1.00 0.00 N ATOM 0 H ASN A 43 -7.327 -7.013 -9.724 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.763 -8.211 -11.805 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.812 -6.408 -11.702 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.760 -7.800 -11.860 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.129 -6.595 -15.033 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.523 -6.121 -13.377 1.00 0.00 H new ATOM 572 N ASP A 44 -6.677 -10.192 -10.328 1.00 0.00 N ATOM 573 CA ASP A 44 -6.166 -11.549 -10.274 1.00 0.00 C ATOM 574 C ASP A 44 -6.736 -12.285 -9.070 1.00 0.00 C ATOM 575 O ASP A 44 -6.769 -11.742 -7.970 1.00 0.00 O ATOM 576 CB ASP A 44 -4.644 -11.530 -10.188 1.00 0.00 C ATOM 577 CG ASP A 44 -4.067 -12.915 -9.999 1.00 0.00 C ATOM 578 OD1 ASP A 44 -4.496 -13.852 -10.702 1.00 0.00 O ATOM 579 OD2 ASP A 44 -3.180 -13.072 -9.143 1.00 0.00 O ATOM 0 H ASP A 44 -6.476 -9.630 -9.501 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.470 -12.069 -11.182 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.236 -11.089 -11.097 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.336 -10.893 -9.359 1.00 0.00 H new ATOM 584 N SER A 45 -7.167 -13.522 -9.279 1.00 0.00 N ATOM 585 CA SER A 45 -7.723 -14.333 -8.205 1.00 0.00 C ATOM 586 C SER A 45 -6.716 -14.517 -7.069 1.00 0.00 C ATOM 587 O SER A 45 -7.091 -14.550 -5.896 1.00 0.00 O ATOM 588 CB SER A 45 -8.158 -15.688 -8.759 1.00 0.00 C ATOM 589 OG SER A 45 -8.376 -15.610 -10.162 1.00 0.00 O ATOM 0 H SER A 45 -7.142 -13.987 -10.187 1.00 0.00 H new ATOM 0 HA SER A 45 -8.590 -13.816 -7.795 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.394 -16.436 -8.545 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.071 -16.014 -8.261 1.00 0.00 H new ATOM 0 HG SER A 45 -8.652 -16.488 -10.499 1.00 0.00 H new ATOM 595 N LEU A 46 -5.438 -14.617 -7.416 1.00 0.00 N ATOM 596 CA LEU A 46 -4.391 -14.753 -6.416 1.00 0.00 C ATOM 597 C LEU A 46 -4.121 -13.405 -5.755 1.00 0.00 C ATOM 598 O LEU A 46 -3.937 -13.320 -4.541 1.00 0.00 O ATOM 599 CB LEU A 46 -3.110 -15.307 -7.043 1.00 0.00 C ATOM 600 CG LEU A 46 -2.049 -15.757 -6.043 1.00 0.00 C ATOM 601 CD1 LEU A 46 -2.126 -17.257 -5.830 1.00 0.00 C ATOM 602 CD2 LEU A 46 -0.662 -15.359 -6.520 1.00 0.00 C ATOM 0 H LEU A 46 -5.105 -14.606 -8.380 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.728 -15.457 -5.655 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.370 -16.153 -7.680 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.679 -14.542 -7.689 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.240 -15.261 -5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.363 -17.562 -5.114 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.111 -17.520 -5.444 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.959 -17.768 -6.778 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.081 -15.688 -5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.460 -15.827 -7.483 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.611 -14.275 -6.625 1.00 0.00 H new ATOM 614 N LEU A 47 -4.122 -12.355 -6.573 1.00 0.00 N ATOM 615 CA LEU A 47 -3.946 -10.985 -6.094 1.00 0.00 C ATOM 616 C LEU A 47 -4.996 -10.635 -5.050 1.00 0.00 C ATOM 617 O LEU A 47 -4.683 -10.040 -4.022 1.00 0.00 O ATOM 618 CB LEU A 47 -4.036 -9.994 -7.260 1.00 0.00 C ATOM 619 CG LEU A 47 -2.906 -8.961 -7.325 1.00 0.00 C ATOM 620 CD1 LEU A 47 -1.551 -9.651 -7.376 1.00 0.00 C ATOM 621 CD2 LEU A 47 -3.087 -8.053 -8.532 1.00 0.00 C ATOM 0 H LEU A 47 -4.244 -12.429 -7.583 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.959 -10.916 -5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.047 -10.556 -8.194 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.987 -9.465 -7.194 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.945 -8.351 -6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.762 -8.900 -7.422 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.420 -10.261 -6.483 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.499 -10.286 -8.260 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.277 -7.325 -8.564 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.073 -8.652 -9.443 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.041 -7.531 -8.455 1.00 0.00 H new ATOM 633 N SER A 48 -6.235 -11.030 -5.311 1.00 0.00 N ATOM 634 CA SER A 48 -7.342 -10.760 -4.408 1.00 0.00 C ATOM 635 C SER A 48 -7.180 -11.477 -3.061 1.00 0.00 C ATOM 636 O SER A 48 -7.952 -11.241 -2.132 1.00 0.00 O ATOM 637 CB SER A 48 -8.654 -11.164 -5.064 1.00 0.00 C ATOM 638 OG SER A 48 -8.782 -10.583 -6.347 1.00 0.00 O ATOM 0 H SER A 48 -6.499 -11.544 -6.151 1.00 0.00 H new ATOM 0 HA SER A 48 -7.347 -9.689 -4.205 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.704 -12.250 -5.147 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.489 -10.854 -4.436 1.00 0.00 H new ATOM 0 HG SER A 48 -8.165 -11.023 -6.969 1.00 0.00 H new ATOM 644 N GLY A 49 -6.197 -12.366 -2.963 1.00 0.00 N ATOM 645 CA GLY A 49 -5.895 -13.007 -1.694 1.00 0.00 C ATOM 646 C GLY A 49 -4.587 -12.505 -1.125 1.00 0.00 C ATOM 647 O GLY A 49 -4.207 -12.843 -0.007 1.00 0.00 O ATOM 0 H GLY A 49 -5.603 -12.655 -3.740 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.701 -12.814 -0.985 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.844 -14.087 -1.832 1.00 0.00 H new ATOM 651 N LEU A 50 -3.907 -11.676 -1.902 1.00 0.00 N ATOM 652 CA LEU A 50 -2.602 -11.162 -1.531 1.00 0.00 C ATOM 653 C LEU A 50 -2.725 -9.930 -0.638 1.00 0.00 C ATOM 654 O LEU A 50 -1.828 -9.634 0.146 1.00 0.00 O ATOM 655 CB LEU A 50 -1.804 -10.811 -2.790 1.00 0.00 C ATOM 656 CG LEU A 50 -0.451 -11.512 -2.931 1.00 0.00 C ATOM 657 CD1 LEU A 50 -0.617 -12.876 -3.581 1.00 0.00 C ATOM 658 CD2 LEU A 50 0.512 -10.652 -3.736 1.00 0.00 C ATOM 0 H LEU A 50 -4.245 -11.343 -2.805 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.080 -11.938 -0.970 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.411 -11.053 -3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.638 -9.734 -2.805 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.035 -11.657 -1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.357 -13.357 -3.672 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.271 -13.495 -2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.056 -12.756 -4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.469 -11.165 -3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.099 -10.476 -4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.658 -9.698 -3.229 1.00 0.00 H new ATOM 670 N LEU A 51 -3.842 -9.214 -0.758 1.00 0.00 N ATOM 671 CA LEU A 51 -4.030 -7.970 -0.005 1.00 0.00 C ATOM 672 C LEU A 51 -4.394 -8.230 1.456 1.00 0.00 C ATOM 673 O LEU A 51 -4.600 -7.292 2.232 1.00 0.00 O ATOM 674 CB LEU A 51 -5.069 -7.033 -0.670 1.00 0.00 C ATOM 675 CG LEU A 51 -6.409 -7.630 -1.162 1.00 0.00 C ATOM 676 CD1 LEU A 51 -6.368 -7.883 -2.662 1.00 0.00 C ATOM 677 CD2 LEU A 51 -6.809 -8.899 -0.416 1.00 0.00 C ATOM 0 H LEU A 51 -4.624 -9.468 -1.362 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.067 -7.460 -0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.303 -6.242 0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.586 -6.559 -1.525 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.175 -6.886 -0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.320 -8.303 -2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.189 -6.943 -3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.566 -8.584 -2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.757 -9.268 -0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.040 -9.659 -0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.917 -8.678 0.646 1.00 0.00 H new ATOM 689 N GLY A 52 -4.460 -9.499 1.828 1.00 0.00 N ATOM 690 CA GLY A 52 -4.805 -9.857 3.184 1.00 0.00 C ATOM 691 C GLY A 52 -4.095 -11.113 3.644 1.00 0.00 C ATOM 692 O GLY A 52 -4.645 -12.208 3.553 1.00 0.00 O ATOM 0 H GLY A 52 -4.279 -10.290 1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.551 -9.033 3.851 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.883 -10.004 3.256 1.00 0.00 H new ATOM 696 N ALA A 53 -2.877 -10.951 4.149 1.00 0.00 N ATOM 697 CA ALA A 53 -2.094 -12.077 4.654 1.00 0.00 C ATOM 698 C ALA A 53 -2.599 -12.519 6.030 1.00 0.00 C ATOM 699 O ALA A 53 -1.829 -12.640 6.986 1.00 0.00 O ATOM 700 CB ALA A 53 -0.617 -11.703 4.721 1.00 0.00 C ATOM 0 H ALA A 53 -2.408 -10.048 4.220 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.212 -12.914 3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.044 -12.550 5.099 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.263 -11.441 3.724 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.487 -10.851 5.388 1.00 0.00 H new ATOM 706 N GLY A 54 -3.897 -12.754 6.120 1.00 0.00 N ATOM 707 CA GLY A 54 -4.514 -13.149 7.368 1.00 0.00 C ATOM 708 C GLY A 54 -6.022 -13.144 7.255 1.00 0.00 C ATOM 709 O GLY A 54 -6.608 -14.074 6.712 1.00 0.00 O ATOM 0 H GLY A 54 -4.545 -12.676 5.336 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.170 -14.145 7.648 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.203 -12.470 8.162 1.00 0.00 H new ATOM 713 N LEU A 55 -6.647 -12.085 7.748 1.00 0.00 N ATOM 714 CA LEU A 55 -8.093 -11.918 7.629 1.00 0.00 C ATOM 715 C LEU A 55 -8.432 -10.435 7.552 1.00 0.00 C ATOM 716 O LEU A 55 -9.314 -9.938 8.250 1.00 0.00 O ATOM 717 CB LEU A 55 -8.815 -12.572 8.811 1.00 0.00 C ATOM 718 CG LEU A 55 -9.582 -13.853 8.469 1.00 0.00 C ATOM 719 CD1 LEU A 55 -9.765 -14.716 9.710 1.00 0.00 C ATOM 720 CD2 LEU A 55 -10.932 -13.516 7.853 1.00 0.00 C ATOM 0 H LEU A 55 -6.175 -11.324 8.237 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.430 -12.410 6.716 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.082 -12.800 9.585 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.513 -11.851 9.236 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.000 -14.417 7.741 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.312 -15.621 9.446 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.789 -14.986 10.112 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.325 -14.159 10.461 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.464 -14.437 7.616 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.519 -12.930 8.560 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.782 -12.939 6.941 1.00 0.00 H new ATOM 732 N LEU A 56 -7.713 -9.731 6.693 1.00 0.00 N ATOM 733 CA LEU A 56 -7.883 -8.296 6.566 1.00 0.00 C ATOM 734 C LEU A 56 -8.971 -7.960 5.560 1.00 0.00 C ATOM 735 O LEU A 56 -9.593 -8.849 4.975 1.00 0.00 O ATOM 736 CB LEU A 56 -6.566 -7.626 6.170 1.00 0.00 C ATOM 737 CG LEU A 56 -6.018 -6.653 7.213 1.00 0.00 C ATOM 738 CD1 LEU A 56 -4.500 -6.659 7.206 1.00 0.00 C ATOM 739 CD2 LEU A 56 -6.553 -5.252 6.963 1.00 0.00 C ATOM 0 H LEU A 56 -7.007 -10.131 6.075 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.189 -7.911 7.539 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.820 -8.399 5.984 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.712 -7.091 5.232 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.353 -6.978 8.198 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.130 -5.960 7.956 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.139 -7.662 7.436 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.140 -6.360 6.222 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.154 -4.571 7.714 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.248 -4.918 5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.641 -5.262 7.024 1.00 0.00 H new ATOM 751 N ASN A 57 -9.182 -6.675 5.360 1.00 0.00 N ATOM 752 CA ASN A 57 -10.243 -6.192 4.504 1.00 0.00 C ATOM 753 C ASN A 57 -9.764 -4.995 3.709 1.00 0.00 C ATOM 754 O ASN A 57 -8.590 -4.615 3.784 1.00 0.00 O ATOM 755 CB ASN A 57 -11.473 -5.817 5.323 1.00 0.00 C ATOM 756 CG ASN A 57 -12.690 -6.622 4.922 1.00 0.00 C ATOM 757 OD1 ASN A 57 -12.857 -6.975 3.756 1.00 0.00 O ATOM 758 ND2 ASN A 57 -13.547 -6.918 5.885 1.00 0.00 N ATOM 0 H ASN A 57 -8.622 -5.937 5.787 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.520 -6.991 3.816 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.266 -5.976 6.381 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.683 -4.755 5.196 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.385 -7.459 5.673 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.370 -6.605 6.839 1.00 0.00 H new ATOM 765 N GLY A 58 -10.670 -4.417 2.943 1.00 0.00 N ATOM 766 CA GLY A 58 -10.307 -3.326 2.061 1.00 0.00 C ATOM 767 C GLY A 58 -10.948 -2.018 2.472 1.00 0.00 C ATOM 768 O GLY A 58 -10.710 -1.528 3.570 1.00 0.00 O ATOM 0 H GLY A 58 -11.654 -4.682 2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.223 -3.211 2.056 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.607 -3.570 1.042 1.00 0.00 H new ATOM 772 N LEU A 59 -11.767 -1.458 1.595 1.00 0.00 N ATOM 773 CA LEU A 59 -12.456 -0.208 1.872 1.00 0.00 C ATOM 774 C LEU A 59 -13.445 -0.391 3.014 1.00 0.00 C ATOM 775 O LEU A 59 -14.113 -1.421 3.106 1.00 0.00 O ATOM 776 CB LEU A 59 -13.185 0.280 0.613 1.00 0.00 C ATOM 777 CG LEU A 59 -13.166 1.795 0.366 1.00 0.00 C ATOM 778 CD1 LEU A 59 -14.463 2.427 0.850 1.00 0.00 C ATOM 779 CD2 LEU A 59 -11.966 2.446 1.044 1.00 0.00 C ATOM 0 H LEU A 59 -11.972 -1.854 0.678 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.720 0.540 2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.743 -0.214 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.224 -0.045 0.670 1.00 0.00 H new ATOM 0 HG LEU A 59 -13.076 1.963 -0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -14.434 3.501 0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -15.304 1.990 0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.581 2.243 1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -11.978 3.519 0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -12.015 2.269 2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -11.046 2.017 0.647 1.00 0.00 H new ATOM 791 N SER A 60 -13.517 0.612 3.879 1.00 0.00 N ATOM 792 CA SER A 60 -14.388 0.571 5.045 1.00 0.00 C ATOM 793 C SER A 60 -15.861 0.482 4.638 1.00 0.00 C ATOM 794 O SER A 60 -16.526 1.497 4.442 1.00 0.00 O ATOM 795 CB SER A 60 -14.141 1.808 5.919 1.00 0.00 C ATOM 796 OG SER A 60 -12.805 1.840 6.385 1.00 0.00 O ATOM 0 H SER A 60 -12.976 1.472 3.793 1.00 0.00 H new ATOM 0 HA SER A 60 -14.153 -0.325 5.619 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.352 2.711 5.346 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.826 1.801 6.767 1.00 0.00 H new ATOM 0 HG SER A 60 -12.192 1.838 5.621 1.00 0.00 H new ATOM 802 N GLY A 61 -16.354 -0.745 4.490 1.00 0.00 N ATOM 803 CA GLY A 61 -17.753 -0.953 4.165 1.00 0.00 C ATOM 804 C GLY A 61 -17.955 -1.488 2.762 1.00 0.00 C ATOM 805 O GLY A 61 -18.836 -2.314 2.529 1.00 0.00 O ATOM 0 H GLY A 61 -15.807 -1.600 4.590 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -18.188 -1.650 4.881 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.290 -0.010 4.271 1.00 0.00 H new ATOM 809 N ASN A 62 -17.133 -1.034 1.827 1.00 0.00 N ATOM 810 CA ASN A 62 -17.286 -1.422 0.428 1.00 0.00 C ATOM 811 C ASN A 62 -16.466 -2.663 0.108 1.00 0.00 C ATOM 812 O ASN A 62 -15.247 -2.590 -0.079 1.00 0.00 O ATOM 813 CB ASN A 62 -16.875 -0.277 -0.501 1.00 0.00 C ATOM 814 CG ASN A 62 -17.388 -0.468 -1.916 1.00 0.00 C ATOM 815 OD1 ASN A 62 -18.588 -0.623 -2.140 1.00 0.00 O ATOM 816 ND2 ASN A 62 -16.484 -0.462 -2.885 1.00 0.00 N ATOM 0 H ASN A 62 -16.356 -0.399 2.008 1.00 0.00 H new ATOM 0 HA ASN A 62 -18.339 -1.651 0.265 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.255 0.664 -0.104 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -15.788 -0.200 -0.519 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -16.775 -0.589 -3.854 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.498 -0.331 -2.661 1.00 0.00 H new ATOM 823 N THR A 63 -17.140 -3.801 0.038 1.00 0.00 N ATOM 824 CA THR A 63 -16.486 -5.056 -0.274 1.00 0.00 C ATOM 825 C THR A 63 -16.157 -5.146 -1.761 1.00 0.00 C ATOM 826 O THR A 63 -16.993 -5.542 -2.575 1.00 0.00 O ATOM 827 CB THR A 63 -17.374 -6.242 0.130 1.00 0.00 C ATOM 828 OG1 THR A 63 -18.551 -5.761 0.797 1.00 0.00 O ATOM 829 CG2 THR A 63 -16.619 -7.195 1.043 1.00 0.00 C ATOM 0 H THR A 63 -18.145 -3.878 0.195 1.00 0.00 H new ATOM 0 HA THR A 63 -15.556 -5.096 0.293 1.00 0.00 H new ATOM 0 HB THR A 63 -17.661 -6.782 -0.772 1.00 0.00 H new ATOM 0 HG1 THR A 63 -19.116 -6.520 1.052 1.00 0.00 H new ATOM 0 HG21 THR A 63 -17.268 -8.027 1.316 1.00 0.00 H new ATOM 0 HG22 THR A 63 -15.739 -7.576 0.524 1.00 0.00 H new ATOM 0 HG23 THR A 63 -16.308 -6.666 1.944 1.00 0.00 H new ATOM 837 N GLY A 64 -14.944 -4.745 -2.106 1.00 0.00 N ATOM 838 CA GLY A 64 -14.490 -4.808 -3.480 1.00 0.00 C ATOM 839 C GLY A 64 -13.171 -4.088 -3.656 1.00 0.00 C ATOM 840 O GLY A 64 -12.198 -4.656 -4.145 1.00 0.00 O ATOM 0 H GLY A 64 -14.257 -4.372 -1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -14.381 -5.850 -3.782 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -15.240 -4.363 -4.134 1.00 0.00 H new ATOM 844 N SER A 65 -13.135 -2.834 -3.243 1.00 0.00 N ATOM 845 CA SER A 65 -11.908 -2.067 -3.248 1.00 0.00 C ATOM 846 C SER A 65 -11.035 -2.497 -2.077 1.00 0.00 C ATOM 847 O SER A 65 -11.342 -2.204 -0.925 1.00 0.00 O ATOM 848 CB SER A 65 -12.227 -0.575 -3.153 1.00 0.00 C ATOM 849 OG SER A 65 -13.620 -0.338 -3.312 1.00 0.00 O ATOM 0 H SER A 65 -13.949 -2.325 -2.898 1.00 0.00 H new ATOM 0 HA SER A 65 -11.370 -2.249 -4.178 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.897 -0.190 -2.188 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.673 -0.032 -3.919 1.00 0.00 H new ATOM 0 HG SER A 65 -13.798 0.623 -3.245 1.00 0.00 H new ATOM 855 N ALA A 66 -9.973 -3.223 -2.369 1.00 0.00 N ATOM 856 CA ALA A 66 -9.061 -3.671 -1.335 1.00 0.00 C ATOM 857 C ALA A 66 -7.768 -2.885 -1.412 1.00 0.00 C ATOM 858 O ALA A 66 -7.413 -2.367 -2.473 1.00 0.00 O ATOM 859 CB ALA A 66 -8.800 -5.161 -1.466 1.00 0.00 C ATOM 0 H ALA A 66 -9.721 -3.515 -3.313 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.515 -3.495 -0.360 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.113 -5.480 -0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.740 -5.705 -1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.359 -5.369 -2.441 1.00 0.00 H new ATOM 865 N CYS A 67 -7.065 -2.788 -0.294 1.00 0.00 N ATOM 866 CA CYS A 67 -5.835 -2.017 -0.251 1.00 0.00 C ATOM 867 C CYS A 67 -4.763 -2.795 0.491 1.00 0.00 C ATOM 868 O CYS A 67 -5.061 -3.526 1.442 1.00 0.00 O ATOM 869 CB CYS A 67 -6.074 -0.658 0.417 1.00 0.00 C ATOM 870 SG CYS A 67 -7.629 0.158 -0.080 1.00 0.00 S ATOM 0 H CYS A 67 -7.323 -3.230 0.588 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.497 -1.838 -1.272 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -6.078 -0.793 1.499 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -5.239 0.002 0.181 1.00 0.00 H new ATOM 875 N ALA A 68 -3.522 -2.644 0.065 1.00 0.00 N ATOM 876 CA ALA A 68 -2.426 -3.369 0.676 1.00 0.00 C ATOM 877 C ALA A 68 -1.604 -2.445 1.556 1.00 0.00 C ATOM 878 O ALA A 68 -1.221 -1.352 1.146 1.00 0.00 O ATOM 879 CB ALA A 68 -1.552 -4.032 -0.375 1.00 0.00 C ATOM 0 H ALA A 68 -3.250 -2.027 -0.700 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.848 -4.156 1.301 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.739 -4.568 0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.151 -4.733 -0.957 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.139 -3.271 -1.037 1.00 0.00 H new ATOM 885 N LYS A 69 -1.360 -2.895 2.773 1.00 0.00 N ATOM 886 CA LYS A 69 -0.610 -2.127 3.756 1.00 0.00 C ATOM 887 C LYS A 69 0.881 -2.345 3.544 1.00 0.00 C ATOM 888 O LYS A 69 1.275 -3.310 2.894 1.00 0.00 O ATOM 889 CB LYS A 69 -1.022 -2.552 5.174 1.00 0.00 C ATOM 890 CG LYS A 69 -1.752 -3.894 5.232 1.00 0.00 C ATOM 891 CD LYS A 69 -3.263 -3.723 5.370 1.00 0.00 C ATOM 892 CE LYS A 69 -4.032 -4.581 4.370 1.00 0.00 C ATOM 893 NZ LYS A 69 -5.386 -4.028 4.076 1.00 0.00 N ATOM 0 H LYS A 69 -1.676 -3.804 3.111 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.830 -1.066 3.635 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.131 -2.607 5.799 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.664 -1.782 5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.534 -4.464 4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.375 -4.475 6.074 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.566 -3.988 6.383 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.524 -2.675 5.223 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.463 -4.654 3.444 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.132 -5.593 4.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.066 -4.809 3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.683 -3.406 4.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.354 -3.483 3.191 1.00 0.00 H new ATOM 907 N ALA A 70 1.706 -1.457 4.089 1.00 0.00 N ATOM 908 CA ALA A 70 3.155 -1.551 3.911 1.00 0.00 C ATOM 909 C ALA A 70 3.694 -2.896 4.387 1.00 0.00 C ATOM 910 O ALA A 70 4.601 -3.461 3.778 1.00 0.00 O ATOM 911 CB ALA A 70 3.855 -0.417 4.638 1.00 0.00 C ATOM 0 H ALA A 70 1.400 -0.666 4.656 1.00 0.00 H new ATOM 0 HA ALA A 70 3.361 -1.468 2.844 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.932 -0.503 4.495 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.511 0.538 4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.625 -0.470 5.702 1.00 0.00 H new ATOM 917 N SER A 71 3.110 -3.415 5.459 1.00 0.00 N ATOM 918 CA SER A 71 3.501 -4.707 5.999 1.00 0.00 C ATOM 919 C SER A 71 3.184 -5.814 4.995 1.00 0.00 C ATOM 920 O SER A 71 3.881 -6.824 4.911 1.00 0.00 O ATOM 921 CB SER A 71 2.756 -4.940 7.313 1.00 0.00 C ATOM 922 OG SER A 71 1.829 -3.889 7.552 1.00 0.00 O ATOM 0 H SER A 71 2.359 -2.956 5.974 1.00 0.00 H new ATOM 0 HA SER A 71 4.575 -4.720 6.187 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.231 -5.895 7.276 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.468 -4.999 8.136 1.00 0.00 H new ATOM 0 HG SER A 71 1.950 -3.547 8.463 1.00 0.00 H new ATOM 928 N LEU A 72 2.134 -5.596 4.217 1.00 0.00 N ATOM 929 CA LEU A 72 1.716 -6.547 3.203 1.00 0.00 C ATOM 930 C LEU A 72 2.579 -6.416 1.961 1.00 0.00 C ATOM 931 O LEU A 72 2.852 -7.398 1.268 1.00 0.00 O ATOM 932 CB LEU A 72 0.254 -6.322 2.840 1.00 0.00 C ATOM 933 CG LEU A 72 -0.670 -7.478 3.181 1.00 0.00 C ATOM 934 CD1 LEU A 72 -0.035 -8.790 2.762 1.00 0.00 C ATOM 935 CD2 LEU A 72 -0.984 -7.480 4.670 1.00 0.00 C ATOM 0 H LEU A 72 1.552 -4.760 4.272 1.00 0.00 H new ATOM 0 HA LEU A 72 1.833 -7.552 3.608 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.100 -5.428 3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.186 -6.124 1.770 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.606 -7.358 2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.704 -9.614 3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.145 -8.780 1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.911 -8.920 3.287 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.647 -8.314 4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.059 -7.585 5.237 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.471 -6.543 4.940 1.00 0.00 H new ATOM 947 N ILE A 73 3.002 -5.195 1.686 1.00 0.00 N ATOM 948 CA ILE A 73 3.878 -4.938 0.562 1.00 0.00 C ATOM 949 C ILE A 73 5.235 -5.596 0.810 1.00 0.00 C ATOM 950 O ILE A 73 5.880 -6.099 -0.109 1.00 0.00 O ATOM 951 CB ILE A 73 4.040 -3.418 0.307 1.00 0.00 C ATOM 952 CG1 ILE A 73 2.681 -2.798 -0.043 1.00 0.00 C ATOM 953 CG2 ILE A 73 5.046 -3.159 -0.807 1.00 0.00 C ATOM 954 CD1 ILE A 73 2.591 -1.320 0.256 1.00 0.00 C ATOM 0 H ILE A 73 2.752 -4.367 2.227 1.00 0.00 H new ATOM 0 HA ILE A 73 3.430 -5.369 -0.333 1.00 0.00 H new ATOM 0 HB ILE A 73 4.418 -2.952 1.217 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.481 -2.958 -1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.900 -3.320 0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.143 -2.085 -0.968 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.015 -3.572 -0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.702 -3.634 -1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.602 -0.953 -0.018 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.758 -1.153 1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.348 -0.786 -0.318 1.00 0.00 H new ATOM 966 N ASP A 74 5.637 -5.611 2.073 1.00 0.00 N ATOM 967 CA ASP A 74 6.860 -6.283 2.497 1.00 0.00 C ATOM 968 C ASP A 74 6.675 -7.804 2.482 1.00 0.00 C ATOM 969 O ASP A 74 7.561 -8.548 2.057 1.00 0.00 O ATOM 970 CB ASP A 74 7.237 -5.802 3.905 1.00 0.00 C ATOM 971 CG ASP A 74 8.212 -6.721 4.620 1.00 0.00 C ATOM 972 OD1 ASP A 74 9.427 -6.604 4.376 1.00 0.00 O ATOM 973 OD2 ASP A 74 7.767 -7.547 5.440 1.00 0.00 O ATOM 0 H ASP A 74 5.127 -5.159 2.832 1.00 0.00 H new ATOM 0 HA ASP A 74 7.663 -6.037 1.803 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.674 -4.806 3.835 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.331 -5.711 4.504 1.00 0.00 H new ATOM 978 N GLN A 75 5.504 -8.255 2.921 1.00 0.00 N ATOM 979 CA GLN A 75 5.231 -9.683 3.068 1.00 0.00 C ATOM 980 C GLN A 75 4.957 -10.371 1.732 1.00 0.00 C ATOM 981 O GLN A 75 5.614 -11.351 1.387 1.00 0.00 O ATOM 982 CB GLN A 75 4.027 -9.884 3.992 1.00 0.00 C ATOM 983 CG GLN A 75 4.243 -10.925 5.080 1.00 0.00 C ATOM 984 CD GLN A 75 4.994 -10.377 6.282 1.00 0.00 C ATOM 985 OE1 GLN A 75 5.068 -11.019 7.329 1.00 0.00 O ATOM 986 NE2 GLN A 75 5.546 -9.186 6.146 1.00 0.00 N ATOM 0 H GLN A 75 4.725 -7.650 3.182 1.00 0.00 H new ATOM 0 HA GLN A 75 6.125 -10.137 3.495 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.780 -8.931 4.460 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.166 -10.177 3.390 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.276 -11.309 5.406 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.797 -11.767 4.665 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.464 -8.684 5.262 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.055 -8.768 6.925 1.00 0.00 H new ATOM 995 N LEU A 76 3.990 -9.865 0.977 1.00 0.00 N ATOM 996 CA LEU A 76 3.560 -10.540 -0.240 1.00 0.00 C ATOM 997 C LEU A 76 3.981 -9.758 -1.481 1.00 0.00 C ATOM 998 O LEU A 76 4.193 -10.340 -2.543 1.00 0.00 O ATOM 999 CB LEU A 76 2.046 -10.758 -0.210 1.00 0.00 C ATOM 1000 CG LEU A 76 1.598 -12.166 0.213 1.00 0.00 C ATOM 1001 CD1 LEU A 76 2.352 -12.643 1.448 1.00 0.00 C ATOM 1002 CD2 LEU A 76 0.105 -12.192 0.480 1.00 0.00 C ATOM 0 H LEU A 76 3.493 -8.998 1.183 1.00 0.00 H new ATOM 0 HA LEU A 76 4.049 -11.513 -0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.604 -10.033 0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.645 -10.549 -1.202 1.00 0.00 H new ATOM 0 HG LEU A 76 1.827 -12.844 -0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.010 -13.642 1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.420 -12.671 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.165 -11.958 2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.194 -13.197 0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.134 -11.490 1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.432 -11.908 -0.425 1.00 0.00 H new ATOM 1014 N GLY A 77 4.101 -8.444 -1.343 1.00 0.00 N ATOM 1015 CA GLY A 77 4.642 -7.638 -2.429 1.00 0.00 C ATOM 1016 C GLY A 77 3.616 -7.281 -3.487 1.00 0.00 C ATOM 1017 O GLY A 77 3.846 -7.480 -4.679 1.00 0.00 O ATOM 0 H GLY A 77 3.837 -7.922 -0.507 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.061 -6.720 -2.016 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.463 -8.180 -2.899 1.00 0.00 H new ATOM 1021 N LEU A 78 2.481 -6.760 -3.047 1.00 0.00 N ATOM 1022 CA LEU A 78 1.407 -6.369 -3.955 1.00 0.00 C ATOM 1023 C LEU A 78 1.804 -5.173 -4.808 1.00 0.00 C ATOM 1024 O LEU A 78 1.878 -4.045 -4.325 1.00 0.00 O ATOM 1025 CB LEU A 78 0.149 -6.033 -3.169 1.00 0.00 C ATOM 1026 CG LEU A 78 -0.480 -7.211 -2.443 1.00 0.00 C ATOM 1027 CD1 LEU A 78 -0.019 -7.242 -0.997 1.00 0.00 C ATOM 1028 CD2 LEU A 78 -1.990 -7.124 -2.535 1.00 0.00 C ATOM 0 H LEU A 78 2.277 -6.596 -2.061 1.00 0.00 H new ATOM 0 HA LEU A 78 1.213 -7.214 -4.616 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.389 -5.260 -2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.587 -5.609 -3.852 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.161 -8.139 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.476 -8.090 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.066 -7.340 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.315 -6.318 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.436 -7.971 -2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.330 -6.195 -2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.292 -7.143 -3.582 1.00 0.00 H new ATOM 1040 N LEU A 79 2.032 -5.423 -6.084 1.00 0.00 N ATOM 1041 CA LEU A 79 2.398 -4.367 -7.015 1.00 0.00 C ATOM 1042 C LEU A 79 1.157 -3.761 -7.666 1.00 0.00 C ATOM 1043 O LEU A 79 1.257 -3.008 -8.631 1.00 0.00 O ATOM 1044 CB LEU A 79 3.340 -4.912 -8.093 1.00 0.00 C ATOM 1045 CG LEU A 79 3.303 -6.433 -8.282 1.00 0.00 C ATOM 1046 CD1 LEU A 79 2.297 -6.818 -9.360 1.00 0.00 C ATOM 1047 CD2 LEU A 79 4.689 -6.957 -8.628 1.00 0.00 C ATOM 0 H LEU A 79 1.970 -6.351 -6.502 1.00 0.00 H new ATOM 0 HA LEU A 79 2.911 -3.585 -6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.093 -4.438 -9.043 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.360 -4.617 -7.845 1.00 0.00 H new ATOM 0 HG LEU A 79 2.985 -6.889 -7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.287 -7.902 -9.478 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.304 -6.475 -9.070 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.580 -6.353 -10.304 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.647 -8.038 -8.759 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.033 -6.493 -9.552 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.381 -6.716 -7.821 1.00 0.00 H new ATOM 1059 N ALA A 80 -0.009 -4.092 -7.121 1.00 0.00 N ATOM 1060 CA ALA A 80 -1.279 -3.626 -7.668 1.00 0.00 C ATOM 1061 C ALA A 80 -1.514 -2.150 -7.358 1.00 0.00 C ATOM 1062 O ALA A 80 -2.217 -1.458 -8.091 1.00 0.00 O ATOM 1063 CB ALA A 80 -2.429 -4.467 -7.124 1.00 0.00 C ATOM 0 H ALA A 80 -0.101 -4.685 -6.296 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.235 -3.737 -8.751 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.370 -4.109 -7.540 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.282 -5.510 -7.405 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.458 -4.385 -6.038 1.00 0.00 H new ATOM 1069 N LEU A 81 -0.917 -1.671 -6.272 1.00 0.00 N ATOM 1070 CA LEU A 81 -1.144 -0.300 -5.823 1.00 0.00 C ATOM 1071 C LEU A 81 0.150 0.504 -5.806 1.00 0.00 C ATOM 1072 O LEU A 81 0.188 1.622 -5.292 1.00 0.00 O ATOM 1073 CB LEU A 81 -1.772 -0.294 -4.432 1.00 0.00 C ATOM 1074 CG LEU A 81 -1.611 -1.594 -3.647 1.00 0.00 C ATOM 1075 CD1 LEU A 81 -1.010 -1.312 -2.278 1.00 0.00 C ATOM 1076 CD2 LEU A 81 -2.957 -2.292 -3.519 1.00 0.00 C ATOM 0 H LEU A 81 -0.275 -2.208 -5.688 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.827 0.169 -6.531 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.332 0.519 -3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.835 -0.076 -4.531 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.931 -2.255 -4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.901 -2.247 -1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.032 -0.846 -2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.666 -0.641 -1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.835 -3.218 -2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.656 -1.640 -2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.346 -2.518 -4.512 1.00 0.00 H new ATOM 1088 N VAL A 82 1.207 -0.058 -6.368 1.00 0.00 N ATOM 1089 CA VAL A 82 2.489 0.630 -6.407 1.00 0.00 C ATOM 1090 C VAL A 82 2.752 1.164 -7.804 1.00 0.00 C ATOM 1091 O VAL A 82 2.531 0.465 -8.794 1.00 0.00 O ATOM 1092 CB VAL A 82 3.652 -0.300 -5.987 1.00 0.00 C ATOM 1093 CG1 VAL A 82 4.931 0.493 -5.779 1.00 0.00 C ATOM 1094 CG2 VAL A 82 3.301 -1.076 -4.726 1.00 0.00 C ATOM 0 H VAL A 82 1.205 -0.982 -6.801 1.00 0.00 H new ATOM 0 HA VAL A 82 2.439 1.455 -5.697 1.00 0.00 H new ATOM 0 HB VAL A 82 3.815 -1.013 -6.795 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.734 -0.183 -5.484 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.202 0.996 -6.707 1.00 0.00 H new ATOM 0 HG13 VAL A 82 4.776 1.235 -4.996 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.135 -1.722 -4.452 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.101 -0.378 -3.913 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.415 -1.685 -4.908 1.00 0.00 H new ATOM 1104 N ASP A 83 3.238 2.394 -7.886 1.00 0.00 N ATOM 1105 CA ASP A 83 3.454 3.038 -9.175 1.00 0.00 C ATOM 1106 C ASP A 83 4.925 3.350 -9.410 1.00 0.00 C ATOM 1107 O ASP A 83 5.753 3.237 -8.502 1.00 0.00 O ATOM 1108 CB ASP A 83 2.623 4.325 -9.282 1.00 0.00 C ATOM 1109 CG ASP A 83 2.397 4.745 -10.726 1.00 0.00 C ATOM 1110 OD1 ASP A 83 2.694 3.934 -11.632 1.00 0.00 O ATOM 1111 OD2 ASP A 83 1.929 5.873 -10.964 1.00 0.00 O ATOM 0 H ASP A 83 3.490 2.965 -7.079 1.00 0.00 H new ATOM 0 HA ASP A 83 3.131 2.337 -9.945 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.660 4.175 -8.794 1.00 0.00 H new ATOM 0 HB3 ASP A 83 3.130 5.128 -8.747 1.00 0.00 H new ATOM 1116 N HIS A 84 5.229 3.725 -10.648 1.00 0.00 N ATOM 1117 CA HIS A 84 6.570 4.128 -11.053 1.00 0.00 C ATOM 1118 C HIS A 84 7.060 5.293 -10.191 1.00 0.00 C ATOM 1119 O HIS A 84 6.268 6.136 -9.771 1.00 0.00 O ATOM 1120 CB HIS A 84 6.571 4.534 -12.535 1.00 0.00 C ATOM 1121 CG HIS A 84 5.806 5.797 -12.811 1.00 0.00 C ATOM 1122 ND1 HIS A 84 6.398 7.039 -12.875 1.00 0.00 N ATOM 1123 CD2 HIS A 84 4.481 6.008 -12.987 1.00 0.00 C ATOM 1124 CE1 HIS A 84 5.470 7.957 -13.068 1.00 0.00 C ATOM 1125 NE2 HIS A 84 4.297 7.358 -13.141 1.00 0.00 N ATOM 0 H HIS A 84 4.546 3.758 -11.404 1.00 0.00 H new ATOM 0 HA HIS A 84 7.245 3.284 -10.914 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.601 4.663 -12.868 1.00 0.00 H new ATOM 0 HB3 HIS A 84 6.144 3.724 -13.126 1.00 0.00 H new ATOM 0 HD2 HIS A 84 3.710 5.252 -13.003 1.00 0.00 H new ATOM 0 HE1 HIS A 84 5.642 9.020 -13.152 1.00 0.00 H new ATOM 0 HE2 HIS A 84 3.401 7.823 -13.288 1.00 0.00 H new ATOM 1134 N THR A 85 8.359 5.349 -9.943 1.00 0.00 N ATOM 1135 CA THR A 85 8.902 6.366 -9.060 1.00 0.00 C ATOM 1136 C THR A 85 10.364 6.677 -9.385 1.00 0.00 C ATOM 1137 O THR A 85 11.073 5.860 -9.978 1.00 0.00 O ATOM 1138 CB THR A 85 8.778 5.906 -7.597 1.00 0.00 C ATOM 1139 OG1 THR A 85 9.226 6.924 -6.696 1.00 0.00 O ATOM 1140 CG2 THR A 85 9.568 4.630 -7.378 1.00 0.00 C ATOM 0 H THR A 85 9.049 4.709 -10.336 1.00 0.00 H new ATOM 0 HA THR A 85 8.327 7.280 -9.210 1.00 0.00 H new ATOM 0 HB THR A 85 7.725 5.712 -7.393 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.040 6.649 -5.774 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.471 4.316 -6.339 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.183 3.847 -8.031 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.619 4.809 -7.607 1.00 0.00 H new ATOM 1148 N GLU A 86 10.792 7.875 -9.016 1.00 0.00 N ATOM 1149 CA GLU A 86 12.186 8.280 -9.139 1.00 0.00 C ATOM 1150 C GLU A 86 12.792 8.442 -7.749 1.00 0.00 C ATOM 1151 O GLU A 86 13.970 8.772 -7.593 1.00 0.00 O ATOM 1152 CB GLU A 86 12.310 9.593 -9.928 1.00 0.00 C ATOM 1153 CG GLU A 86 10.981 10.242 -10.301 1.00 0.00 C ATOM 1154 CD GLU A 86 10.284 10.886 -9.118 1.00 0.00 C ATOM 1155 OE1 GLU A 86 9.643 10.156 -8.331 1.00 0.00 O ATOM 1156 OE2 GLU A 86 10.365 12.117 -8.966 1.00 0.00 O ATOM 0 H GLU A 86 10.184 8.594 -8.623 1.00 0.00 H new ATOM 0 HA GLU A 86 12.728 7.508 -9.685 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.892 10.302 -9.338 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.873 9.400 -10.841 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.154 10.996 -11.069 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.325 9.489 -10.737 1.00 0.00 H new ATOM 1163 N GLU A 87 11.963 8.204 -6.742 1.00 0.00 N ATOM 1164 CA GLU A 87 12.382 8.291 -5.352 1.00 0.00 C ATOM 1165 C GLU A 87 12.302 6.910 -4.712 1.00 0.00 C ATOM 1166 O GLU A 87 13.283 6.168 -4.675 1.00 0.00 O ATOM 1167 CB GLU A 87 11.488 9.277 -4.594 1.00 0.00 C ATOM 1168 CG GLU A 87 12.179 9.958 -3.425 1.00 0.00 C ATOM 1169 CD GLU A 87 12.103 9.142 -2.150 1.00 0.00 C ATOM 1170 OE1 GLU A 87 11.051 8.516 -1.903 1.00 0.00 O ATOM 1171 OE2 GLU A 87 13.093 9.129 -1.391 1.00 0.00 O ATOM 0 H GLU A 87 10.984 7.946 -6.866 1.00 0.00 H new ATOM 0 HA GLU A 87 13.410 8.649 -5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 87 11.133 10.039 -5.288 1.00 0.00 H new ATOM 0 HB3 GLU A 87 10.609 8.747 -4.226 1.00 0.00 H new ATOM 0 HG2 GLU A 87 13.225 10.134 -3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.723 10.934 -3.256 1.00 0.00 H new ATOM 1178 N GLY A 88 11.125 6.578 -4.213 1.00 0.00 N ATOM 1179 CA GLY A 88 10.858 5.246 -3.725 1.00 0.00 C ATOM 1180 C GLY A 88 9.451 4.836 -4.085 1.00 0.00 C ATOM 1181 O GLY A 88 8.611 5.712 -4.301 1.00 0.00 O ATOM 0 H GLY A 88 10.337 7.221 -4.137 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.572 4.543 -4.155 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.990 5.213 -2.643 1.00 0.00 H new ATOM 1185 N PRO A 89 9.165 3.524 -4.191 1.00 0.00 N ATOM 1186 CA PRO A 89 7.832 3.017 -4.553 1.00 0.00 C ATOM 1187 C PRO A 89 6.719 3.730 -3.788 1.00 0.00 C ATOM 1188 O PRO A 89 6.679 3.685 -2.555 1.00 0.00 O ATOM 1189 CB PRO A 89 7.904 1.548 -4.149 1.00 0.00 C ATOM 1190 CG PRO A 89 9.338 1.187 -4.307 1.00 0.00 C ATOM 1191 CD PRO A 89 10.125 2.429 -3.963 1.00 0.00 C ATOM 0 HA PRO A 89 7.599 3.175 -5.606 1.00 0.00 H new ATOM 0 HB2 PRO A 89 7.569 1.402 -3.122 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.267 0.931 -4.783 1.00 0.00 H new ATOM 0 HG2 PRO A 89 9.606 0.361 -3.648 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.548 0.863 -5.326 1.00 0.00 H new ATOM 0 HD2 PRO A 89 10.473 2.410 -2.930 1.00 0.00 H new ATOM 0 HD3 PRO A 89 11.007 2.532 -4.595 1.00 0.00 H new ATOM 1199 N VAL A 90 5.826 4.383 -4.527 1.00 0.00 N ATOM 1200 CA VAL A 90 4.807 5.242 -3.933 1.00 0.00 C ATOM 1201 C VAL A 90 3.402 4.767 -4.273 1.00 0.00 C ATOM 1202 O VAL A 90 3.223 3.765 -4.971 1.00 0.00 O ATOM 1203 CB VAL A 90 4.957 6.704 -4.407 1.00 0.00 C ATOM 1204 CG1 VAL A 90 6.023 7.415 -3.588 1.00 0.00 C ATOM 1205 CG2 VAL A 90 5.278 6.762 -5.899 1.00 0.00 C ATOM 0 H VAL A 90 5.788 4.332 -5.545 1.00 0.00 H new ATOM 0 HA VAL A 90 4.954 5.189 -2.854 1.00 0.00 H new ATOM 0 HB VAL A 90 4.008 7.218 -4.254 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.119 8.445 -3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.738 7.409 -2.536 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.977 6.902 -3.708 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.379 7.802 -6.209 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.212 6.234 -6.091 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.473 6.292 -6.463 1.00 0.00 H new ATOM 1215 N CYS A 91 2.415 5.497 -3.765 1.00 0.00 N ATOM 1216 CA CYS A 91 1.013 5.205 -4.028 1.00 0.00 C ATOM 1217 C CYS A 91 0.678 5.454 -5.497 1.00 0.00 C ATOM 1218 O CYS A 91 1.008 6.503 -6.051 1.00 0.00 O ATOM 1219 CB CYS A 91 0.126 6.075 -3.131 1.00 0.00 C ATOM 1220 SG CYS A 91 -1.563 5.438 -2.864 1.00 0.00 S ATOM 0 H CYS A 91 2.565 6.305 -3.161 1.00 0.00 H new ATOM 0 HA CYS A 91 0.827 4.154 -3.807 1.00 0.00 H new ATOM 0 HB2 CYS A 91 0.613 6.186 -2.162 1.00 0.00 H new ATOM 0 HB3 CYS A 91 0.057 7.071 -3.570 1.00 0.00 H new ATOM 1225 N LYS A 92 0.030 4.476 -6.115 1.00 0.00 N ATOM 1226 CA LYS A 92 -0.315 4.548 -7.528 1.00 0.00 C ATOM 1227 C LYS A 92 -1.527 5.440 -7.764 1.00 0.00 C ATOM 1228 O LYS A 92 -1.650 6.070 -8.816 1.00 0.00 O ATOM 1229 CB LYS A 92 -0.605 3.142 -8.057 1.00 0.00 C ATOM 1230 CG LYS A 92 -0.711 3.061 -9.570 1.00 0.00 C ATOM 1231 CD LYS A 92 0.001 1.833 -10.097 1.00 0.00 C ATOM 1232 CE LYS A 92 -0.129 1.714 -11.606 1.00 0.00 C ATOM 1233 NZ LYS A 92 1.176 1.912 -12.285 1.00 0.00 N ATOM 0 H LYS A 92 -0.269 3.616 -5.655 1.00 0.00 H new ATOM 0 HA LYS A 92 0.532 4.981 -8.060 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.184 2.469 -7.722 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.537 2.785 -7.618 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.760 3.032 -9.864 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -0.279 3.956 -10.017 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.055 1.879 -9.825 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.412 0.942 -9.624 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.527 0.732 -11.861 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.844 2.452 -11.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.014 2.178 -13.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.705 2.668 -11.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.724 1.029 -12.248 1.00 0.00 H new ATOM 1247 N ASN A 93 -2.422 5.495 -6.788 1.00 0.00 N ATOM 1248 CA ASN A 93 -3.699 6.169 -6.991 1.00 0.00 C ATOM 1249 C ASN A 93 -4.244 6.790 -5.704 1.00 0.00 C ATOM 1250 O ASN A 93 -3.968 7.947 -5.391 1.00 0.00 O ATOM 1251 CB ASN A 93 -4.726 5.179 -7.558 1.00 0.00 C ATOM 1252 CG ASN A 93 -5.118 5.485 -8.993 1.00 0.00 C ATOM 1253 OD1 ASN A 93 -5.901 6.395 -9.255 1.00 0.00 O ATOM 1254 ND2 ASN A 93 -4.580 4.717 -9.932 1.00 0.00 N ATOM 0 H ASN A 93 -2.293 5.089 -5.861 1.00 0.00 H new ATOM 0 HA ASN A 93 -3.526 6.980 -7.698 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -4.316 4.170 -7.507 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.619 5.193 -6.933 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.813 4.872 -10.913 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.934 3.972 -9.673 1.00 0.00 H new ATOM 1261 N ILE A 94 -5.011 6.006 -4.957 1.00 0.00 N ATOM 1262 CA ILE A 94 -5.773 6.522 -3.830 1.00 0.00 C ATOM 1263 C ILE A 94 -5.023 6.330 -2.511 1.00 0.00 C ATOM 1264 O ILE A 94 -4.664 5.209 -2.148 1.00 0.00 O ATOM 1265 CB ILE A 94 -7.157 5.831 -3.767 1.00 0.00 C ATOM 1266 CG1 ILE A 94 -8.014 6.247 -4.964 1.00 0.00 C ATOM 1267 CG2 ILE A 94 -7.880 6.147 -2.468 1.00 0.00 C ATOM 1268 CD1 ILE A 94 -8.704 5.086 -5.646 1.00 0.00 C ATOM 0 H ILE A 94 -5.121 5.004 -5.114 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.912 7.593 -3.979 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.992 4.754 -3.804 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.767 6.962 -4.631 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -7.385 6.762 -5.690 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.848 5.645 -2.459 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.283 5.799 -1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.029 7.224 -2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.294 5.455 -6.485 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -7.956 4.381 -6.010 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.360 4.584 -4.935 1.00 0.00 H new ATOM 1280 N VAL A 95 -4.782 7.430 -1.806 1.00 0.00 N ATOM 1281 CA VAL A 95 -4.088 7.385 -0.523 1.00 0.00 C ATOM 1282 C VAL A 95 -5.061 7.049 0.606 1.00 0.00 C ATOM 1283 O VAL A 95 -6.115 7.673 0.740 1.00 0.00 O ATOM 1284 CB VAL A 95 -3.376 8.720 -0.198 1.00 0.00 C ATOM 1285 CG1 VAL A 95 -1.945 8.695 -0.712 1.00 0.00 C ATOM 1286 CG2 VAL A 95 -4.135 9.903 -0.782 1.00 0.00 C ATOM 0 H VAL A 95 -5.058 8.366 -2.102 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.332 6.604 -0.604 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.355 8.838 0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.457 9.641 -0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.402 7.878 -0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.949 8.548 -1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.612 10.827 -0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.197 9.796 -1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.140 9.933 -0.362 1.00 0.00 H new ATOM 1296 N ALA A 96 -4.704 6.055 1.408 1.00 0.00 N ATOM 1297 CA ALA A 96 -5.552 5.615 2.507 1.00 0.00 C ATOM 1298 C ALA A 96 -4.714 4.958 3.603 1.00 0.00 C ATOM 1299 O ALA A 96 -3.528 4.689 3.411 1.00 0.00 O ATOM 1300 CB ALA A 96 -6.613 4.653 1.997 1.00 0.00 C ATOM 0 H ALA A 96 -3.830 5.537 1.317 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.048 6.486 2.934 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.241 4.331 2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.228 5.153 1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.131 3.784 1.548 1.00 0.00 H new ATOM 1306 N CYS A 97 -5.332 4.690 4.745 1.00 0.00 N ATOM 1307 CA CYS A 97 -4.630 4.061 5.856 1.00 0.00 C ATOM 1308 C CYS A 97 -5.206 2.679 6.154 1.00 0.00 C ATOM 1309 O CYS A 97 -6.405 2.531 6.402 1.00 0.00 O ATOM 1310 CB CYS A 97 -4.684 4.946 7.107 1.00 0.00 C ATOM 1311 SG CYS A 97 -5.514 6.557 6.869 1.00 0.00 S ATOM 0 H CYS A 97 -6.314 4.897 4.927 1.00 0.00 H new ATOM 0 HA CYS A 97 -3.586 3.940 5.566 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -5.198 4.401 7.899 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -3.666 5.125 7.453 1.00 0.00 H new ATOM 1316 N CYS A 98 -4.340 1.673 6.127 1.00 0.00 N ATOM 1317 CA CYS A 98 -4.747 0.289 6.352 1.00 0.00 C ATOM 1318 C CYS A 98 -4.130 -0.258 7.630 1.00 0.00 C ATOM 1319 O CYS A 98 -2.908 -0.328 7.744 1.00 0.00 O ATOM 1320 CB CYS A 98 -4.294 -0.605 5.200 1.00 0.00 C ATOM 1321 SG CYS A 98 -5.444 -0.732 3.795 1.00 0.00 S ATOM 0 H CYS A 98 -3.342 1.791 5.950 1.00 0.00 H new ATOM 0 HA CYS A 98 -5.834 0.286 6.428 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -3.339 -0.233 4.830 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -4.116 -1.607 5.591 1.00 0.00 H new ATOM 1326 N PRO A 99 -4.953 -0.667 8.596 1.00 0.00 N ATOM 1327 CA PRO A 99 -4.470 -1.323 9.807 1.00 0.00 C ATOM 1328 C PRO A 99 -4.064 -2.775 9.540 1.00 0.00 C ATOM 1329 O PRO A 99 -4.713 -3.477 8.764 1.00 0.00 O ATOM 1330 CB PRO A 99 -5.677 -1.267 10.743 1.00 0.00 C ATOM 1331 CG PRO A 99 -6.857 -1.252 9.836 1.00 0.00 C ATOM 1332 CD PRO A 99 -6.423 -0.520 8.594 1.00 0.00 C ATOM 0 HA PRO A 99 -3.580 -0.842 10.214 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -5.701 -2.129 11.410 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -5.650 -0.377 11.372 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -7.178 -2.266 9.598 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -7.703 -0.752 10.307 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.867 -0.953 7.698 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -6.721 0.528 8.622 1.00 0.00 H new ATOM 1340 N GLU A 100 -2.968 -3.204 10.146 1.00 0.00 N ATOM 1341 CA GLU A 100 -2.550 -4.592 10.058 1.00 0.00 C ATOM 1342 C GLU A 100 -3.400 -5.450 10.989 1.00 0.00 C ATOM 1343 O GLU A 100 -3.745 -5.029 12.095 1.00 0.00 O ATOM 1344 CB GLU A 100 -1.067 -4.728 10.411 1.00 0.00 C ATOM 1345 CG GLU A 100 -0.292 -5.598 9.439 1.00 0.00 C ATOM 1346 CD GLU A 100 0.347 -6.791 10.116 1.00 0.00 C ATOM 1347 OE1 GLU A 100 -0.337 -7.823 10.273 1.00 0.00 O ATOM 1348 OE2 GLU A 100 1.534 -6.698 10.494 1.00 0.00 O ATOM 0 H GLU A 100 -2.353 -2.611 10.703 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.691 -4.938 9.034 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -0.616 -3.736 10.438 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.977 -5.147 11.413 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.962 -5.946 8.653 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.481 -5.000 8.957 1.00 0.00 H new ATOM 1355 N GLY A 101 -3.750 -6.640 10.529 1.00 0.00 N ATOM 1356 CA GLY A 101 -4.552 -7.535 11.331 1.00 0.00 C ATOM 1357 C GLY A 101 -5.886 -7.856 10.689 1.00 0.00 C ATOM 1358 O GLY A 101 -5.990 -8.786 9.886 1.00 0.00 O ATOM 0 H GLY A 101 -3.492 -7.002 9.611 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.001 -8.461 11.497 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.723 -7.086 12.309 1.00 0.00 H new ATOM 1362 N THR A 102 -6.904 -7.073 11.022 1.00 0.00 N ATOM 1363 CA THR A 102 -8.257 -7.342 10.551 1.00 0.00 C ATOM 1364 C THR A 102 -8.985 -6.046 10.197 1.00 0.00 C ATOM 1365 O THR A 102 -8.426 -4.955 10.327 1.00 0.00 O ATOM 1366 CB THR A 102 -9.070 -8.102 11.624 1.00 0.00 C ATOM 1367 OG1 THR A 102 -8.510 -7.860 12.922 1.00 0.00 O ATOM 1368 CG2 THR A 102 -9.076 -9.600 11.355 1.00 0.00 C ATOM 0 H THR A 102 -6.819 -6.248 11.615 1.00 0.00 H new ATOM 0 HA THR A 102 -8.173 -7.958 9.656 1.00 0.00 H new ATOM 0 HB THR A 102 -10.097 -7.738 11.586 1.00 0.00 H new ATOM 0 HG1 THR A 102 -9.030 -8.343 13.598 1.00 0.00 H new ATOM 0 HG21 THR A 102 -9.656 -10.106 12.127 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.524 -9.793 10.380 1.00 0.00 H new ATOM 0 HG23 THR A 102 -8.053 -9.976 11.365 1.00 0.00 H new ATOM 1376 N THR A 103 -10.226 -6.195 9.743 1.00 0.00 N ATOM 1377 CA THR A 103 -11.123 -5.075 9.463 1.00 0.00 C ATOM 1378 C THR A 103 -10.640 -4.194 8.303 1.00 0.00 C ATOM 1379 O THR A 103 -9.738 -4.568 7.553 1.00 0.00 O ATOM 1380 CB THR A 103 -11.393 -4.226 10.734 1.00 0.00 C ATOM 1381 OG1 THR A 103 -11.132 -5.002 11.916 1.00 0.00 O ATOM 1382 CG2 THR A 103 -12.841 -3.754 10.767 1.00 0.00 C ATOM 0 H THR A 103 -10.643 -7.107 9.557 1.00 0.00 H new ATOM 0 HA THR A 103 -12.066 -5.519 9.145 1.00 0.00 H new ATOM 0 HB THR A 103 -10.730 -3.361 10.706 1.00 0.00 H new ATOM 0 HG1 THR A 103 -11.304 -4.455 12.711 1.00 0.00 H new ATOM 0 HG21 THR A 103 -13.010 -3.161 11.666 1.00 0.00 H new ATOM 0 HG22 THR A 103 -13.045 -3.145 9.886 1.00 0.00 H new ATOM 0 HG23 THR A 103 -13.505 -4.618 10.773 1.00 0.00 H new ATOM 1390 N ASN A 104 -11.262 -3.027 8.163 1.00 0.00 N ATOM 1391 CA ASN A 104 -11.186 -2.252 6.931 1.00 0.00 C ATOM 1392 C ASN A 104 -10.146 -1.146 6.998 1.00 0.00 C ATOM 1393 O ASN A 104 -9.564 -0.869 8.047 1.00 0.00 O ATOM 1394 CB ASN A 104 -12.550 -1.621 6.636 1.00 0.00 C ATOM 1395 CG ASN A 104 -13.616 -2.638 6.282 1.00 0.00 C ATOM 1396 OD1 ASN A 104 -13.429 -3.479 5.411 1.00 0.00 O ATOM 1397 ND2 ASN A 104 -14.755 -2.553 6.952 1.00 0.00 N ATOM 0 H ASN A 104 -11.828 -2.596 8.894 1.00 0.00 H new ATOM 0 HA ASN A 104 -10.893 -2.942 6.140 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -12.875 -1.052 7.507 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -12.445 -0.913 5.814 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -15.515 -3.202 6.750 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -14.872 -1.838 7.670 1.00 0.00 H new ATOM 1404 N CYS A 105 -9.946 -0.509 5.858 1.00 0.00 N ATOM 1405 CA CYS A 105 -9.071 0.645 5.748 1.00 0.00 C ATOM 1406 C CYS A 105 -9.889 1.896 5.446 1.00 0.00 C ATOM 1407 O CYS A 105 -10.848 1.850 4.668 1.00 0.00 O ATOM 1408 CB CYS A 105 -8.078 0.430 4.615 1.00 0.00 C ATOM 1409 SG CYS A 105 -7.215 -1.170 4.665 1.00 0.00 S ATOM 0 H CYS A 105 -10.388 -0.779 4.979 1.00 0.00 H new ATOM 0 HA CYS A 105 -8.541 0.771 6.692 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -8.606 0.515 3.665 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -7.337 1.229 4.641 1.00 0.00 H new ATOM 1414 N VAL A 106 -9.504 3.014 6.039 1.00 0.00 N ATOM 1415 CA VAL A 106 -10.186 4.278 5.800 1.00 0.00 C ATOM 1416 C VAL A 106 -9.463 5.075 4.714 1.00 0.00 C ATOM 1417 O VAL A 106 -8.235 5.040 4.617 1.00 0.00 O ATOM 1418 CB VAL A 106 -10.314 5.121 7.101 1.00 0.00 C ATOM 1419 CG1 VAL A 106 -10.403 4.215 8.318 1.00 0.00 C ATOM 1420 CG2 VAL A 106 -9.155 6.094 7.263 1.00 0.00 C ATOM 0 H VAL A 106 -8.722 3.073 6.691 1.00 0.00 H new ATOM 0 HA VAL A 106 -11.196 4.049 5.459 1.00 0.00 H new ATOM 0 HB VAL A 106 -11.231 5.704 7.018 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -10.492 4.823 9.218 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -11.277 3.570 8.228 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.504 3.602 8.382 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -9.283 6.663 8.184 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.218 5.539 7.307 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -9.133 6.778 6.414 1.00 0.00 H new ATOM 1430 N ALA A 107 -10.230 5.770 3.892 1.00 0.00 N ATOM 1431 CA ALA A 107 -9.666 6.597 2.836 1.00 0.00 C ATOM 1432 C ALA A 107 -9.770 8.060 3.221 1.00 0.00 C ATOM 1433 O ALA A 107 -10.871 8.594 3.355 1.00 0.00 O ATOM 1434 CB ALA A 107 -10.369 6.339 1.510 1.00 0.00 C ATOM 0 H ALA A 107 -11.249 5.779 3.935 1.00 0.00 H new ATOM 0 HA ALA A 107 -8.615 6.337 2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -9.930 6.969 0.737 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -10.252 5.291 1.234 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -11.429 6.572 1.609 1.00 0.00 H new ATOM 1440 N VAL A 108 -8.627 8.699 3.403 1.00 0.00 N ATOM 1441 CA VAL A 108 -8.591 10.074 3.873 1.00 0.00 C ATOM 1442 C VAL A 108 -8.590 11.061 2.707 1.00 0.00 C ATOM 1443 O VAL A 108 -8.574 12.280 2.889 1.00 0.00 O ATOM 1444 CB VAL A 108 -7.374 10.302 4.793 1.00 0.00 C ATOM 1445 CG1 VAL A 108 -6.088 10.336 3.986 1.00 0.00 C ATOM 1446 CG2 VAL A 108 -7.542 11.569 5.613 1.00 0.00 C ATOM 0 H VAL A 108 -7.710 8.287 3.232 1.00 0.00 H new ATOM 0 HA VAL A 108 -9.496 10.254 4.453 1.00 0.00 H new ATOM 0 HB VAL A 108 -7.312 9.464 5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -5.243 10.498 4.655 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -5.961 9.388 3.464 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.136 11.147 3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.670 11.706 6.253 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -7.640 12.425 4.945 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.436 11.487 6.231 1.00 0.00 H new ATOM 1456 N ASP A 109 -8.632 10.514 1.513 1.00 0.00 N ATOM 1457 CA ASP A 109 -8.742 11.310 0.296 1.00 0.00 C ATOM 1458 C ASP A 109 -9.509 10.536 -0.758 1.00 0.00 C ATOM 1459 O ASP A 109 -9.430 9.308 -0.821 1.00 0.00 O ATOM 1460 CB ASP A 109 -7.369 11.718 -0.253 1.00 0.00 C ATOM 1461 CG ASP A 109 -7.480 12.618 -1.478 1.00 0.00 C ATOM 1462 OD1 ASP A 109 -8.455 13.398 -1.572 1.00 0.00 O ATOM 1463 OD2 ASP A 109 -6.603 12.548 -2.361 1.00 0.00 O ATOM 0 H ASP A 109 -8.591 9.508 1.351 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.279 12.224 0.549 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -6.808 12.235 0.525 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -6.803 10.823 -0.512 1.00 0.00 H new ATOM 1468 N ASN A 110 -10.255 11.254 -1.574 1.00 0.00 N ATOM 1469 CA ASN A 110 -11.086 10.641 -2.591 1.00 0.00 C ATOM 1470 C ASN A 110 -10.699 11.152 -3.970 1.00 0.00 C ATOM 1471 O ASN A 110 -11.430 10.961 -4.943 1.00 0.00 O ATOM 1472 CB ASN A 110 -12.561 10.948 -2.319 1.00 0.00 C ATOM 1473 CG ASN A 110 -13.186 9.986 -1.325 1.00 0.00 C ATOM 1474 OD1 ASN A 110 -13.953 9.100 -1.701 1.00 0.00 O ATOM 1475 ND2 ASN A 110 -12.866 10.158 -0.048 1.00 0.00 N ATOM 0 H ASN A 110 -10.302 12.273 -1.551 1.00 0.00 H new ATOM 0 HA ASN A 110 -10.934 9.562 -2.560 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -12.652 11.966 -1.940 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -13.115 10.906 -3.257 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -13.260 9.543 0.664 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -12.226 10.905 0.221 1.00 0.00 H new ATOM 1482 N ALA A 111 -9.552 11.813 -4.049 1.00 0.00 N ATOM 1483 CA ALA A 111 -9.106 12.405 -5.299 1.00 0.00 C ATOM 1484 C ALA A 111 -7.814 11.781 -5.802 1.00 0.00 C ATOM 1485 O ALA A 111 -7.788 11.169 -6.869 1.00 0.00 O ATOM 1486 CB ALA A 111 -8.928 13.904 -5.137 1.00 0.00 C ATOM 0 H ALA A 111 -8.916 11.952 -3.264 1.00 0.00 H new ATOM 0 HA ALA A 111 -9.878 12.207 -6.043 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -8.594 14.335 -6.081 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -9.878 14.354 -4.849 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -8.184 14.101 -4.365 1.00 0.00 H new ATOM 1492 N GLY A 112 -6.751 11.932 -5.026 1.00 0.00 N ATOM 1493 CA GLY A 112 -5.438 11.529 -5.484 1.00 0.00 C ATOM 1494 C GLY A 112 -4.798 12.616 -6.325 1.00 0.00 C ATOM 1495 O GLY A 112 -4.736 12.510 -7.555 1.00 0.00 O ATOM 0 H GLY A 112 -6.775 12.327 -4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -4.803 11.306 -4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -5.518 10.612 -6.068 1.00 0.00 H new ATOM 1499 N ALA A 113 -4.345 13.676 -5.666 1.00 0.00 N ATOM 1500 CA ALA A 113 -3.791 14.833 -6.359 1.00 0.00 C ATOM 1501 C ALA A 113 -2.362 14.571 -6.831 1.00 0.00 C ATOM 1502 O ALA A 113 -1.396 14.839 -6.110 1.00 0.00 O ATOM 1503 CB ALA A 113 -3.837 16.063 -5.462 1.00 0.00 C ATOM 0 H ALA A 113 -4.351 13.758 -4.649 1.00 0.00 H new ATOM 0 HA ALA A 113 -4.404 15.017 -7.241 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.420 16.918 -5.995 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -4.871 16.275 -5.188 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -3.254 15.878 -4.560 1.00 0.00 H new ATOM 1509 N GLY A 114 -2.238 14.030 -8.036 1.00 0.00 N ATOM 1510 CA GLY A 114 -0.932 13.796 -8.616 1.00 0.00 C ATOM 1511 C GLY A 114 -0.377 12.431 -8.267 1.00 0.00 C ATOM 1512 O GLY A 114 -1.125 11.519 -7.913 1.00 0.00 O ATOM 0 H GLY A 114 -3.023 13.748 -8.623 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -0.997 13.892 -9.700 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -0.241 14.565 -8.269 1.00 0.00 H new ATOM 1516 N THR A 115 0.931 12.290 -8.377 1.00 0.00 N ATOM 1517 CA THR A 115 1.595 11.040 -8.046 1.00 0.00 C ATOM 1518 C THR A 115 2.289 11.146 -6.687 1.00 0.00 C ATOM 1519 O THR A 115 1.776 10.682 -5.668 1.00 0.00 O ATOM 1520 CB THR A 115 2.628 10.670 -9.129 1.00 0.00 C ATOM 1521 OG1 THR A 115 3.337 11.848 -9.556 1.00 0.00 O ATOM 1522 CG2 THR A 115 1.947 10.020 -10.324 1.00 0.00 C ATOM 0 H THR A 115 1.558 13.029 -8.695 1.00 0.00 H new ATOM 0 HA THR A 115 0.838 10.257 -7.999 1.00 0.00 H new ATOM 0 HB THR A 115 3.333 9.958 -8.701 1.00 0.00 H new ATOM 0 HG1 THR A 115 3.992 11.604 -10.243 1.00 0.00 H new ATOM 0 HG21 THR A 115 2.695 9.767 -11.076 1.00 0.00 H new ATOM 0 HG22 THR A 115 1.435 9.113 -10.002 1.00 0.00 H new ATOM 0 HG23 THR A 115 1.223 10.713 -10.751 1.00 0.00 H new ATOM 1530 N LYS A 116 3.458 11.772 -6.685 1.00 0.00 N ATOM 1531 CA LYS A 116 4.214 12.004 -5.459 1.00 0.00 C ATOM 1532 C LYS A 116 5.051 13.269 -5.598 1.00 0.00 C ATOM 1533 O LYS A 116 6.035 13.460 -4.884 1.00 0.00 O ATOM 1534 CB LYS A 116 5.121 10.805 -5.146 1.00 0.00 C ATOM 1535 CG LYS A 116 6.015 10.391 -6.309 1.00 0.00 C ATOM 1536 CD LYS A 116 7.435 10.083 -5.850 1.00 0.00 C ATOM 1537 CE LYS A 116 8.210 11.357 -5.541 1.00 0.00 C ATOM 1538 NZ LYS A 116 8.646 12.065 -6.771 1.00 0.00 N ATOM 0 H LYS A 116 3.908 12.132 -7.527 1.00 0.00 H new ATOM 0 HA LYS A 116 3.510 12.128 -4.636 1.00 0.00 H new ATOM 0 HB2 LYS A 116 5.747 11.049 -4.288 1.00 0.00 H new ATOM 0 HB3 LYS A 116 4.500 9.957 -4.857 1.00 0.00 H new ATOM 0 HG2 LYS A 116 5.592 9.513 -6.797 1.00 0.00 H new ATOM 0 HG3 LYS A 116 6.038 11.189 -7.052 1.00 0.00 H new ATOM 0 HD2 LYS A 116 7.403 9.451 -4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 116 7.954 9.519 -6.624 1.00 0.00 H new ATOM 0 HE2 LYS A 116 7.587 12.022 -4.943 1.00 0.00 H new ATOM 0 HE3 LYS A 116 9.084 11.111 -4.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 9.627 12.391 -6.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 8.590 11.417 -7.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 8.027 12.884 -6.938 1.00 0.00 H new ATOM 1552 N ALA A 117 4.656 14.127 -6.527 1.00 0.00 N ATOM 1553 CA ALA A 117 5.417 15.331 -6.824 1.00 0.00 C ATOM 1554 C ALA A 117 4.678 16.583 -6.372 1.00 0.00 C ATOM 1555 O ALA A 117 3.583 16.881 -6.851 1.00 0.00 O ATOM 1556 CB ALA A 117 5.730 15.405 -8.313 1.00 0.00 C ATOM 0 H ALA A 117 3.812 14.011 -7.088 1.00 0.00 H new ATOM 0 HA ALA A 117 6.353 15.280 -6.268 1.00 0.00 H new ATOM 0 HB1 ALA A 117 6.300 16.311 -8.520 1.00 0.00 H new ATOM 0 HB2 ALA A 117 6.315 14.533 -8.606 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.799 15.424 -8.880 1.00 0.00 H new ATOM 1562 N GLU A 118 5.283 17.302 -5.438 1.00 0.00 N ATOM 1563 CA GLU A 118 4.738 18.561 -4.960 1.00 0.00 C ATOM 1564 C GLU A 118 5.833 19.617 -4.956 1.00 0.00 C ATOM 1565 O GLU A 118 5.525 20.808 -5.167 1.00 0.00 O ATOM 1566 CB GLU A 118 4.150 18.408 -3.552 1.00 0.00 C ATOM 1567 CG GLU A 118 4.286 17.005 -2.969 1.00 0.00 C ATOM 1568 CD GLU A 118 4.654 17.015 -1.501 1.00 0.00 C ATOM 1569 OE1 GLU A 118 5.519 17.824 -1.102 1.00 0.00 O ATOM 1570 OE2 GLU A 118 4.082 16.219 -0.733 1.00 0.00 O ATOM 1571 OXT GLU A 118 7.009 19.236 -4.750 1.00 0.00 O ATOM 0 H GLU A 118 6.160 17.030 -4.993 1.00 0.00 H new ATOM 0 HA GLU A 118 3.934 18.869 -5.629 1.00 0.00 H new ATOM 0 HB2 GLU A 118 4.642 19.116 -2.885 1.00 0.00 H new ATOM 0 HB3 GLU A 118 3.094 18.678 -3.580 1.00 0.00 H new ATOM 0 HG2 GLU A 118 3.346 16.469 -3.100 1.00 0.00 H new ATOM 0 HG3 GLU A 118 5.046 16.457 -3.526 1.00 0.00 H new TER 1578 GLU A 118