USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 615 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: X 10 TYR OH : rot -163:sc= 1.26 USER MOD Set 1.2: X 40 HIS : no HE2:sc= 0.843 K(o=2.1,f=-2.1) USER MOD Set 2.1: X 6 SER OG : rot 180:sc= 0 USER MOD Set 2.2: X 8 SER OG : rot 180:sc= 0 USER MOD Single : X 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 11 THR OG1 : rot 180:sc= 0.298 USER MOD Single : X 17 GLN : amide:sc= 0.432 K(o=0.43,f=-1.4) USER MOD Single : X 20 LYS NZ :NH3+ 166:sc= 1.12 (180deg=0.959) USER MOD Single : X 24 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.114) USER MOD Single : X 26 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : X 30 THR OG1 : rot 117:sc= -4.09! USER MOD Single : X 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 45 THR OG1 : rot -86:sc= 1.21 USER MOD Single : X 47 HIS : no HD1:sc= -3.27 K(o=-3.3,f=-7.4!) USER MOD Single : X 51 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : X 55 TYR OH : rot 180:sc= 0 USER MOD Single : X 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 80 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0899) USER MOD Single : X 86 ASN : amide:sc= -0.817 X(o=-0.82,f=-0.86!) USER MOD Single : X 88 LYS NZ :NH3+ -169:sc= -0.0197 (180deg=-0.153) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 GLN : amide:sc= -0.476 X(o=-0.48,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 16 N LEU X 3 60.968 5.063 6.468 1.00 0.00 N ATOM 17 CA LEU X 3 61.850 5.919 5.704 1.00 0.00 C ATOM 18 C LEU X 3 62.255 7.139 6.479 1.00 0.00 C ATOM 19 O LEU X 3 61.425 7.822 7.097 1.00 0.00 O ATOM 20 CB LEU X 3 61.224 6.338 4.365 1.00 0.00 C ATOM 21 CG LEU X 3 60.852 5.202 3.415 1.00 0.00 C ATOM 22 CD1 LEU X 3 60.455 5.732 2.030 1.00 0.00 C ATOM 23 CD2 LEU X 3 61.989 4.211 3.319 1.00 0.00 C ATOM 0 HA LEU X 3 62.743 5.329 5.498 1.00 0.00 H new ATOM 0 HB2 LEU X 3 60.326 6.920 4.573 1.00 0.00 H new ATOM 0 HB3 LEU X 3 61.921 7.000 3.852 1.00 0.00 H new ATOM 0 HG LEU X 3 59.980 4.689 3.821 1.00 0.00 H new ATOM 0 HD11 LEU X 3 60.197 4.896 1.381 1.00 0.00 H new ATOM 0 HD12 LEU X 3 59.595 6.395 2.127 1.00 0.00 H new ATOM 0 HD13 LEU X 3 61.291 6.282 1.598 1.00 0.00 H new ATOM 0 HD21 LEU X 3 61.713 3.405 2.639 1.00 0.00 H new ATOM 0 HD22 LEU X 3 62.880 4.714 2.943 1.00 0.00 H new ATOM 0 HD23 LEU X 3 62.196 3.798 4.306 1.00 0.00 H new ATOM 35 N LYS X 4 63.525 7.396 6.461 1.00 0.00 N ATOM 36 CA LYS X 4 64.101 8.538 7.102 1.00 0.00 C ATOM 37 C LYS X 4 64.363 9.595 6.039 1.00 0.00 C ATOM 38 O LYS X 4 63.768 9.555 4.969 1.00 0.00 O ATOM 39 CB LYS X 4 65.418 8.141 7.774 1.00 0.00 C ATOM 40 CG LYS X 4 65.368 6.879 8.631 1.00 0.00 C ATOM 41 CD LYS X 4 64.156 6.836 9.499 1.00 0.00 C ATOM 42 CE LYS X 4 64.386 5.934 10.688 1.00 0.00 C ATOM 43 NZ LYS X 4 63.228 5.875 11.589 1.00 0.00 N ATOM 0 H LYS X 4 64.208 6.803 5.989 1.00 0.00 H new ATOM 0 HA LYS X 4 63.424 8.928 7.862 1.00 0.00 H new ATOM 0 HB2 LYS X 4 66.173 8.003 7.000 1.00 0.00 H new ATOM 0 HB3 LYS X 4 65.750 8.970 8.399 1.00 0.00 H new ATOM 0 HG2 LYS X 4 65.381 6.002 7.984 1.00 0.00 H new ATOM 0 HG3 LYS X 4 66.261 6.829 9.254 1.00 0.00 H new ATOM 0 HD2 LYS X 4 63.911 7.842 9.841 1.00 0.00 H new ATOM 0 HD3 LYS X 4 63.302 6.478 8.924 1.00 0.00 H new ATOM 0 HE2 LYS X 4 64.619 4.929 10.336 1.00 0.00 H new ATOM 0 HE3 LYS X 4 65.255 6.287 11.243 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 63.441 5.242 12.387 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 63.019 6.828 11.949 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 62.403 5.513 11.070 1.00 0.00 H new ATOM 57 N ASN X 5 65.200 10.541 6.328 1.00 0.00 N ATOM 58 CA ASN X 5 65.543 11.551 5.345 1.00 0.00 C ATOM 59 C ASN X 5 67.016 11.503 5.012 1.00 0.00 C ATOM 60 O ASN X 5 67.426 11.854 3.902 1.00 0.00 O ATOM 61 CB ASN X 5 65.129 12.950 5.797 1.00 0.00 C ATOM 62 CG ASN X 5 63.624 13.128 5.870 1.00 0.00 C ATOM 63 OD1 ASN X 5 62.998 12.869 6.900 1.00 0.00 O ATOM 64 ND2 ASN X 5 63.031 13.572 4.796 1.00 0.00 N ATOM 0 H ASN X 5 65.664 10.646 7.230 1.00 0.00 H new ATOM 0 HA ASN X 5 64.981 11.325 4.439 1.00 0.00 H new ATOM 0 HB2 ASN X 5 65.561 13.152 6.777 1.00 0.00 H new ATOM 0 HB3 ASN X 5 65.543 13.686 5.108 1.00 0.00 H new ATOM 0 HD21 ASN X 5 62.021 13.714 4.793 1.00 0.00 H new ATOM 0 HD22 ASN X 5 63.577 13.777 3.960 1.00 0.00 H new ATOM 71 N SER X 6 67.799 11.070 5.963 1.00 0.00 N ATOM 72 CA SER X 6 69.217 10.906 5.798 1.00 0.00 C ATOM 73 C SER X 6 69.641 9.576 6.412 1.00 0.00 C ATOM 74 O SER X 6 68.867 8.964 7.165 1.00 0.00 O ATOM 75 CB SER X 6 69.956 12.080 6.451 1.00 0.00 C ATOM 76 OG SER X 6 69.524 12.279 7.787 1.00 0.00 O ATOM 0 H SER X 6 67.462 10.817 6.892 1.00 0.00 H new ATOM 0 HA SER X 6 69.472 10.897 4.738 1.00 0.00 H new ATOM 0 HB2 SER X 6 71.029 11.890 6.438 1.00 0.00 H new ATOM 0 HB3 SER X 6 69.786 12.988 5.872 1.00 0.00 H new ATOM 0 HG SER X 6 70.012 13.032 8.180 1.00 0.00 H new ATOM 82 N ILE X 7 70.865 9.137 6.120 1.00 0.00 N ATOM 83 CA ILE X 7 71.406 7.866 6.635 1.00 0.00 C ATOM 84 C ILE X 7 71.601 7.947 8.171 1.00 0.00 C ATOM 85 O ILE X 7 71.753 6.936 8.858 1.00 0.00 O ATOM 86 CB ILE X 7 72.779 7.515 5.935 1.00 0.00 C ATOM 87 CG1 ILE X 7 73.229 6.085 6.239 1.00 0.00 C ATOM 88 CG2 ILE X 7 73.884 8.492 6.316 1.00 0.00 C ATOM 89 CD1 ILE X 7 72.336 5.027 5.662 1.00 0.00 C ATOM 0 H ILE X 7 71.514 9.647 5.521 1.00 0.00 H new ATOM 0 HA ILE X 7 70.690 7.076 6.409 1.00 0.00 H new ATOM 0 HB ILE X 7 72.598 7.601 4.864 1.00 0.00 H new ATOM 0 HG12 ILE X 7 74.239 5.943 5.853 1.00 0.00 H new ATOM 0 HG13 ILE X 7 73.279 5.953 7.320 1.00 0.00 H new ATOM 0 HG21 ILE X 7 74.808 8.211 5.811 1.00 0.00 H new ATOM 0 HG22 ILE X 7 73.598 9.500 6.015 1.00 0.00 H new ATOM 0 HG23 ILE X 7 74.037 8.465 7.395 1.00 0.00 H new ATOM 0 HD11 ILE X 7 72.724 4.042 5.922 1.00 0.00 H new ATOM 0 HD12 ILE X 7 71.330 5.140 6.067 1.00 0.00 H new ATOM 0 HD13 ILE X 7 72.304 5.129 4.577 1.00 0.00 H new ATOM 101 N SER X 8 71.488 9.148 8.688 1.00 0.00 N ATOM 102 CA SER X 8 71.749 9.453 10.060 1.00 0.00 C ATOM 103 C SER X 8 70.684 8.860 10.970 1.00 0.00 C ATOM 104 O SER X 8 70.957 8.554 12.123 1.00 0.00 O ATOM 105 CB SER X 8 71.782 10.965 10.212 1.00 0.00 C ATOM 106 OG SER X 8 72.595 11.554 9.206 1.00 0.00 O ATOM 0 H SER X 8 71.202 9.960 8.141 1.00 0.00 H new ATOM 0 HA SER X 8 72.705 9.018 10.350 1.00 0.00 H new ATOM 0 HB2 SER X 8 70.770 11.364 10.148 1.00 0.00 H new ATOM 0 HB3 SER X 8 72.167 11.228 11.197 1.00 0.00 H new ATOM 0 HG SER X 8 72.602 12.527 9.320 1.00 0.00 H new ATOM 112 N ASP X 9 69.490 8.669 10.453 1.00 0.00 N ATOM 113 CA ASP X 9 68.412 8.162 11.286 1.00 0.00 C ATOM 114 C ASP X 9 68.154 6.702 10.956 1.00 0.00 C ATOM 115 O ASP X 9 67.263 6.073 11.496 1.00 0.00 O ATOM 116 CB ASP X 9 67.144 8.984 11.074 1.00 0.00 C ATOM 117 CG ASP X 9 66.172 8.923 12.246 1.00 0.00 C ATOM 118 OD1 ASP X 9 66.553 9.331 13.368 1.00 0.00 O ATOM 119 OD2 ASP X 9 65.011 8.514 12.068 1.00 0.00 O ATOM 0 H ASP X 9 69.240 8.851 9.481 1.00 0.00 H new ATOM 0 HA ASP X 9 68.704 8.245 12.333 1.00 0.00 H new ATOM 0 HB2 ASP X 9 67.421 10.023 10.896 1.00 0.00 H new ATOM 0 HB3 ASP X 9 66.638 8.631 10.175 1.00 0.00 H new ATOM 124 N TYR X 10 68.987 6.153 10.110 1.00 0.00 N ATOM 125 CA TYR X 10 68.811 4.788 9.648 1.00 0.00 C ATOM 126 C TYR X 10 69.640 3.845 10.461 1.00 0.00 C ATOM 127 O TYR X 10 70.826 4.051 10.603 1.00 0.00 O ATOM 128 CB TYR X 10 69.194 4.611 8.153 1.00 0.00 C ATOM 129 CG TYR X 10 68.076 4.843 7.148 1.00 0.00 C ATOM 130 CD1 TYR X 10 67.138 3.849 6.907 1.00 0.00 C ATOM 131 CD2 TYR X 10 67.957 6.032 6.445 1.00 0.00 C ATOM 132 CE1 TYR X 10 66.112 4.028 6.001 1.00 0.00 C ATOM 133 CE2 TYR X 10 66.919 6.227 5.542 1.00 0.00 C ATOM 134 CZ TYR X 10 66.005 5.217 5.328 1.00 0.00 C ATOM 135 OH TYR X 10 64.955 5.415 4.475 1.00 0.00 O ATOM 0 H TYR X 10 69.801 6.629 9.721 1.00 0.00 H new ATOM 0 HA TYR X 10 67.751 4.563 9.764 1.00 0.00 H new ATOM 0 HB2 TYR X 10 70.010 5.296 7.924 1.00 0.00 H new ATOM 0 HB3 TYR X 10 69.578 3.600 8.014 1.00 0.00 H new ATOM 0 HD1 TYR X 10 67.213 2.913 7.441 1.00 0.00 H new ATOM 0 HD2 TYR X 10 68.681 6.818 6.601 1.00 0.00 H new ATOM 0 HE1 TYR X 10 65.399 3.237 5.824 1.00 0.00 H new ATOM 0 HE2 TYR X 10 66.829 7.163 5.011 1.00 0.00 H new ATOM 0 HH TYR X 10 65.153 6.169 3.881 1.00 0.00 H new ATOM 145 N THR X 11 69.021 2.853 11.025 1.00 0.00 N ATOM 146 CA THR X 11 69.741 1.786 11.655 1.00 0.00 C ATOM 147 C THR X 11 69.981 0.759 10.572 1.00 0.00 C ATOM 148 O THR X 11 69.428 0.913 9.463 1.00 0.00 O ATOM 149 CB THR X 11 68.910 1.155 12.794 1.00 0.00 C ATOM 150 OG1 THR X 11 67.636 0.732 12.286 1.00 0.00 O ATOM 151 CG2 THR X 11 68.694 2.143 13.921 1.00 0.00 C ATOM 0 H THR X 11 68.006 2.759 11.062 1.00 0.00 H new ATOM 0 HA THR X 11 70.670 2.148 12.096 1.00 0.00 H new ATOM 0 HB THR X 11 69.461 0.298 13.182 1.00 0.00 H new ATOM 0 HG1 THR X 11 67.112 0.331 13.010 1.00 0.00 H new ATOM 0 HG21 THR X 11 68.106 1.673 14.709 1.00 0.00 H new ATOM 0 HG22 THR X 11 69.659 2.453 14.323 1.00 0.00 H new ATOM 0 HG23 THR X 11 68.161 3.016 13.543 1.00 0.00 H new ATOM 159 N GLU X 12 70.773 -0.264 10.832 1.00 0.00 N ATOM 160 CA GLU X 12 70.971 -1.290 9.831 1.00 0.00 C ATOM 161 C GLU X 12 69.654 -1.917 9.382 1.00 0.00 C ATOM 162 O GLU X 12 69.405 -2.036 8.206 1.00 0.00 O ATOM 163 CB GLU X 12 72.042 -2.350 10.224 1.00 0.00 C ATOM 164 CG GLU X 12 72.090 -2.786 11.697 1.00 0.00 C ATOM 165 CD GLU X 12 70.795 -3.289 12.248 1.00 0.00 C ATOM 166 OE1 GLU X 12 70.494 -4.494 12.116 1.00 0.00 O ATOM 167 OE2 GLU X 12 70.029 -2.470 12.794 1.00 0.00 O ATOM 0 H GLU X 12 71.278 -0.404 11.707 1.00 0.00 H new ATOM 0 HA GLU X 12 71.388 -0.779 8.963 1.00 0.00 H new ATOM 0 HB2 GLU X 12 71.878 -3.238 9.614 1.00 0.00 H new ATOM 0 HB3 GLU X 12 73.022 -1.956 9.956 1.00 0.00 H new ATOM 0 HG2 GLU X 12 72.842 -3.568 11.805 1.00 0.00 H new ATOM 0 HG3 GLU X 12 72.421 -1.940 12.300 1.00 0.00 H new ATOM 174 N ALA X 13 68.806 -2.247 10.322 1.00 0.00 N ATOM 175 CA ALA X 13 67.537 -2.871 10.030 1.00 0.00 C ATOM 176 C ALA X 13 66.551 -1.909 9.364 1.00 0.00 C ATOM 177 O ALA X 13 65.803 -2.318 8.483 1.00 0.00 O ATOM 178 CB ALA X 13 66.948 -3.522 11.251 1.00 0.00 C ATOM 0 H ALA X 13 68.975 -2.091 11.316 1.00 0.00 H new ATOM 0 HA ALA X 13 67.734 -3.659 9.303 1.00 0.00 H new ATOM 0 HB1 ALA X 13 65.994 -3.981 10.994 1.00 0.00 H new ATOM 0 HB2 ALA X 13 67.631 -4.287 11.621 1.00 0.00 H new ATOM 0 HB3 ALA X 13 66.792 -2.770 12.025 1.00 0.00 H new ATOM 184 N GLU X 14 66.525 -0.647 9.781 1.00 0.00 N ATOM 185 CA GLU X 14 65.659 0.327 9.106 1.00 0.00 C ATOM 186 C GLU X 14 66.093 0.514 7.681 1.00 0.00 C ATOM 187 O GLU X 14 65.273 0.692 6.780 1.00 0.00 O ATOM 188 CB GLU X 14 65.614 1.670 9.832 1.00 0.00 C ATOM 189 CG GLU X 14 64.758 1.644 11.075 1.00 0.00 C ATOM 190 CD GLU X 14 63.327 1.272 10.761 1.00 0.00 C ATOM 191 OE1 GLU X 14 62.557 2.156 10.348 1.00 0.00 O ATOM 192 OE2 GLU X 14 62.945 0.092 10.925 1.00 0.00 O ATOM 0 H GLU X 14 67.073 -0.278 10.558 1.00 0.00 H new ATOM 0 HA GLU X 14 64.647 -0.078 9.123 1.00 0.00 H new ATOM 0 HB2 GLU X 14 66.628 1.964 10.103 1.00 0.00 H new ATOM 0 HB3 GLU X 14 65.233 2.431 9.152 1.00 0.00 H new ATOM 0 HG2 GLU X 14 65.172 0.930 11.787 1.00 0.00 H new ATOM 0 HG3 GLU X 14 64.783 2.623 11.554 1.00 0.00 H new ATOM 199 N PHE X 15 67.378 0.433 7.477 1.00 0.00 N ATOM 200 CA PHE X 15 67.939 0.554 6.174 1.00 0.00 C ATOM 201 C PHE X 15 67.612 -0.691 5.355 1.00 0.00 C ATOM 202 O PHE X 15 67.217 -0.580 4.194 1.00 0.00 O ATOM 203 CB PHE X 15 69.436 0.785 6.284 1.00 0.00 C ATOM 204 CG PHE X 15 70.113 1.129 5.004 1.00 0.00 C ATOM 205 CD1 PHE X 15 69.961 2.380 4.444 1.00 0.00 C ATOM 206 CD2 PHE X 15 70.933 0.222 4.383 1.00 0.00 C ATOM 207 CE1 PHE X 15 70.615 2.708 3.283 1.00 0.00 C ATOM 208 CE2 PHE X 15 71.586 0.542 3.221 1.00 0.00 C ATOM 209 CZ PHE X 15 71.428 1.790 2.675 1.00 0.00 C ATOM 0 H PHE X 15 68.063 0.280 8.217 1.00 0.00 H new ATOM 0 HA PHE X 15 67.507 1.411 5.658 1.00 0.00 H new ATOM 0 HB2 PHE X 15 69.613 1.588 6.999 1.00 0.00 H new ATOM 0 HB3 PHE X 15 69.898 -0.113 6.693 1.00 0.00 H new ATOM 0 HD1 PHE X 15 69.322 3.107 4.923 1.00 0.00 H new ATOM 0 HD2 PHE X 15 71.066 -0.759 4.816 1.00 0.00 H new ATOM 0 HE1 PHE X 15 70.488 3.689 2.850 1.00 0.00 H new ATOM 0 HE2 PHE X 15 72.222 -0.185 2.738 1.00 0.00 H new ATOM 0 HZ PHE X 15 71.946 2.049 1.763 1.00 0.00 H new ATOM 219 N VAL X 16 67.735 -1.883 5.971 1.00 0.00 N ATOM 220 CA VAL X 16 67.389 -3.115 5.270 1.00 0.00 C ATOM 221 C VAL X 16 65.913 -3.122 4.904 1.00 0.00 C ATOM 222 O VAL X 16 65.545 -3.689 3.915 1.00 0.00 O ATOM 223 CB VAL X 16 67.759 -4.458 6.014 1.00 0.00 C ATOM 224 CG1 VAL X 16 69.169 -4.515 6.507 1.00 0.00 C ATOM 225 CG2 VAL X 16 66.768 -4.907 7.059 1.00 0.00 C ATOM 0 H VAL X 16 68.064 -2.009 6.928 1.00 0.00 H new ATOM 0 HA VAL X 16 68.015 -3.102 4.378 1.00 0.00 H new ATOM 0 HB VAL X 16 67.684 -5.200 5.219 1.00 0.00 H new ATOM 0 HG11 VAL X 16 69.342 -5.469 7.006 1.00 0.00 H new ATOM 0 HG12 VAL X 16 69.853 -4.417 5.664 1.00 0.00 H new ATOM 0 HG13 VAL X 16 69.341 -3.701 7.211 1.00 0.00 H new ATOM 0 HG21 VAL X 16 67.112 -5.837 7.511 1.00 0.00 H new ATOM 0 HG22 VAL X 16 66.679 -4.141 7.829 1.00 0.00 H new ATOM 0 HG23 VAL X 16 65.796 -5.068 6.593 1.00 0.00 H new ATOM 235 N GLN X 17 65.085 -2.456 5.714 1.00 0.00 N ATOM 236 CA GLN X 17 63.673 -2.354 5.485 1.00 0.00 C ATOM 237 C GLN X 17 63.412 -1.637 4.160 1.00 0.00 C ATOM 238 O GLN X 17 62.607 -2.109 3.344 1.00 0.00 O ATOM 239 CB GLN X 17 63.028 -1.634 6.680 1.00 0.00 C ATOM 240 CG GLN X 17 61.524 -1.658 6.698 1.00 0.00 C ATOM 241 CD GLN X 17 60.877 -0.614 5.804 1.00 0.00 C ATOM 242 OE1 GLN X 17 61.411 0.491 5.627 1.00 0.00 O ATOM 243 NE2 GLN X 17 59.751 -0.943 5.235 1.00 0.00 N ATOM 0 H GLN X 17 65.399 -1.971 6.555 1.00 0.00 H new ATOM 0 HA GLN X 17 63.223 -3.343 5.404 1.00 0.00 H new ATOM 0 HB2 GLN X 17 63.395 -2.088 7.600 1.00 0.00 H new ATOM 0 HB3 GLN X 17 63.360 -0.596 6.682 1.00 0.00 H new ATOM 0 HG2 GLN X 17 61.183 -2.646 6.390 1.00 0.00 H new ATOM 0 HG3 GLN X 17 61.181 -1.507 7.722 1.00 0.00 H new ATOM 0 HE21 GLN X 17 59.343 -1.862 5.405 1.00 0.00 H new ATOM 0 HE22 GLN X 17 59.278 -0.281 4.619 1.00 0.00 H new ATOM 252 N LEU X 18 64.118 -0.529 3.943 1.00 0.00 N ATOM 253 CA LEU X 18 64.016 0.222 2.691 1.00 0.00 C ATOM 254 C LEU X 18 64.460 -0.644 1.554 1.00 0.00 C ATOM 255 O LEU X 18 63.761 -0.787 0.575 1.00 0.00 O ATOM 256 CB LEU X 18 64.914 1.465 2.754 1.00 0.00 C ATOM 257 CG LEU X 18 65.167 2.224 1.432 1.00 0.00 C ATOM 258 CD1 LEU X 18 63.900 2.776 0.829 1.00 0.00 C ATOM 259 CD2 LEU X 18 66.192 3.320 1.631 1.00 0.00 C ATOM 0 H LEU X 18 64.769 -0.130 4.619 1.00 0.00 H new ATOM 0 HA LEU X 18 62.981 0.529 2.542 1.00 0.00 H new ATOM 0 HB2 LEU X 18 64.473 2.164 3.465 1.00 0.00 H new ATOM 0 HB3 LEU X 18 65.880 1.163 3.160 1.00 0.00 H new ATOM 0 HG LEU X 18 65.563 1.499 0.721 1.00 0.00 H new ATOM 0 HD11 LEU X 18 64.136 3.299 -0.098 1.00 0.00 H new ATOM 0 HD12 LEU X 18 63.211 1.958 0.619 1.00 0.00 H new ATOM 0 HD13 LEU X 18 63.436 3.470 1.530 1.00 0.00 H new ATOM 0 HD21 LEU X 18 66.355 3.841 0.688 1.00 0.00 H new ATOM 0 HD22 LEU X 18 65.829 4.026 2.378 1.00 0.00 H new ATOM 0 HD23 LEU X 18 67.131 2.883 1.971 1.00 0.00 H new ATOM 271 N LEU X 19 65.588 -1.268 1.736 1.00 0.00 N ATOM 272 CA LEU X 19 66.156 -2.170 0.745 1.00 0.00 C ATOM 273 C LEU X 19 65.243 -3.343 0.443 1.00 0.00 C ATOM 274 O LEU X 19 65.169 -3.783 -0.683 1.00 0.00 O ATOM 275 CB LEU X 19 67.555 -2.627 1.144 1.00 0.00 C ATOM 276 CG LEU X 19 68.733 -1.718 0.733 1.00 0.00 C ATOM 277 CD1 LEU X 19 68.788 -1.531 -0.774 1.00 0.00 C ATOM 278 CD2 LEU X 19 68.665 -0.376 1.406 1.00 0.00 C ATOM 0 H LEU X 19 66.153 -1.172 2.580 1.00 0.00 H new ATOM 0 HA LEU X 19 66.249 -1.605 -0.182 1.00 0.00 H new ATOM 0 HB2 LEU X 19 67.578 -2.742 2.228 1.00 0.00 H new ATOM 0 HB3 LEU X 19 67.724 -3.615 0.715 1.00 0.00 H new ATOM 0 HG LEU X 19 69.643 -2.221 1.060 1.00 0.00 H new ATOM 0 HD11 LEU X 19 69.629 -0.886 -1.030 1.00 0.00 H new ATOM 0 HD12 LEU X 19 68.914 -2.500 -1.257 1.00 0.00 H new ATOM 0 HD13 LEU X 19 67.861 -1.072 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU X 19 69.512 0.233 1.090 1.00 0.00 H new ATOM 0 HD22 LEU X 19 67.736 0.123 1.130 1.00 0.00 H new ATOM 0 HD23 LEU X 19 68.698 -0.509 2.487 1.00 0.00 H new ATOM 290 N LYS X 20 64.554 -3.839 1.445 1.00 0.00 N ATOM 291 CA LYS X 20 63.586 -4.898 1.249 1.00 0.00 C ATOM 292 C LYS X 20 62.383 -4.383 0.457 1.00 0.00 C ATOM 293 O LYS X 20 61.833 -5.096 -0.367 1.00 0.00 O ATOM 294 CB LYS X 20 63.131 -5.516 2.564 1.00 0.00 C ATOM 295 CG LYS X 20 64.193 -6.328 3.302 1.00 0.00 C ATOM 296 CD LYS X 20 63.605 -6.933 4.576 1.00 0.00 C ATOM 297 CE LYS X 20 64.613 -7.764 5.380 1.00 0.00 C ATOM 298 NZ LYS X 20 64.884 -9.102 4.802 1.00 0.00 N ATOM 0 H LYS X 20 64.646 -3.525 2.411 1.00 0.00 H new ATOM 0 HA LYS X 20 64.081 -5.684 0.678 1.00 0.00 H new ATOM 0 HB2 LYS X 20 62.784 -4.718 3.221 1.00 0.00 H new ATOM 0 HB3 LYS X 20 62.275 -6.161 2.367 1.00 0.00 H new ATOM 0 HG2 LYS X 20 64.570 -7.120 2.655 1.00 0.00 H new ATOM 0 HG3 LYS X 20 65.041 -5.690 3.552 1.00 0.00 H new ATOM 0 HD2 LYS X 20 63.222 -6.131 5.207 1.00 0.00 H new ATOM 0 HD3 LYS X 20 62.756 -7.563 4.311 1.00 0.00 H new ATOM 0 HE2 LYS X 20 65.550 -7.212 5.450 1.00 0.00 H new ATOM 0 HE3 LYS X 20 64.239 -7.887 6.396 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 65.732 -9.508 5.248 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 64.070 -9.726 4.974 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 65.041 -9.012 3.778 1.00 0.00 H new ATOM 312 N GLU X 21 61.977 -3.136 0.702 1.00 0.00 N ATOM 313 CA GLU X 21 60.911 -2.539 -0.097 1.00 0.00 C ATOM 314 C GLU X 21 61.388 -2.319 -1.524 1.00 0.00 C ATOM 315 O GLU X 21 60.635 -2.492 -2.487 1.00 0.00 O ATOM 316 CB GLU X 21 60.341 -1.246 0.518 1.00 0.00 C ATOM 317 CG GLU X 21 59.523 -1.473 1.780 1.00 0.00 C ATOM 318 CD GLU X 21 58.636 -0.292 2.137 1.00 0.00 C ATOM 319 OE1 GLU X 21 57.504 -0.212 1.619 1.00 0.00 O ATOM 320 OE2 GLU X 21 59.006 0.538 2.979 1.00 0.00 O ATOM 0 H GLU X 21 62.361 -2.533 1.430 1.00 0.00 H new ATOM 0 HA GLU X 21 60.082 -3.246 -0.107 1.00 0.00 H new ATOM 0 HB2 GLU X 21 61.165 -0.570 0.747 1.00 0.00 H new ATOM 0 HB3 GLU X 21 59.717 -0.747 -0.223 1.00 0.00 H new ATOM 0 HG2 GLU X 21 58.902 -2.359 1.649 1.00 0.00 H new ATOM 0 HG3 GLU X 21 60.198 -1.677 2.611 1.00 0.00 H new ATOM 327 N ILE X 22 62.652 -1.977 -1.645 1.00 0.00 N ATOM 328 CA ILE X 22 63.301 -1.822 -2.926 1.00 0.00 C ATOM 329 C ILE X 22 63.313 -3.156 -3.661 1.00 0.00 C ATOM 330 O ILE X 22 62.939 -3.226 -4.802 1.00 0.00 O ATOM 331 CB ILE X 22 64.746 -1.294 -2.760 1.00 0.00 C ATOM 332 CG1 ILE X 22 64.712 0.093 -2.112 1.00 0.00 C ATOM 333 CG2 ILE X 22 65.440 -1.243 -4.100 1.00 0.00 C ATOM 334 CD1 ILE X 22 66.049 0.744 -1.872 1.00 0.00 C ATOM 0 H ILE X 22 63.263 -1.797 -0.848 1.00 0.00 H new ATOM 0 HA ILE X 22 62.740 -1.091 -3.509 1.00 0.00 H new ATOM 0 HB ILE X 22 65.307 -1.970 -2.114 1.00 0.00 H new ATOM 0 HG12 ILE X 22 64.117 0.753 -2.744 1.00 0.00 H new ATOM 0 HG13 ILE X 22 64.193 0.013 -1.157 1.00 0.00 H new ATOM 0 HG21 ILE X 22 66.456 -0.870 -3.970 1.00 0.00 H new ATOM 0 HG22 ILE X 22 65.473 -2.244 -4.531 1.00 0.00 H new ATOM 0 HG23 ILE X 22 64.892 -0.579 -4.768 1.00 0.00 H new ATOM 0 HD11 ILE X 22 65.901 1.720 -1.410 1.00 0.00 H new ATOM 0 HD12 ILE X 22 66.646 0.116 -1.210 1.00 0.00 H new ATOM 0 HD13 ILE X 22 66.569 0.867 -2.822 1.00 0.00 H new ATOM 346 N GLU X 23 63.684 -4.202 -2.946 1.00 0.00 N ATOM 347 CA GLU X 23 63.717 -5.568 -3.411 1.00 0.00 C ATOM 348 C GLU X 23 62.326 -5.985 -3.894 1.00 0.00 C ATOM 349 O GLU X 23 62.155 -6.566 -4.990 1.00 0.00 O ATOM 350 CB GLU X 23 64.114 -6.372 -2.174 1.00 0.00 C ATOM 351 CG GLU X 23 63.757 -7.822 -2.149 1.00 0.00 C ATOM 352 CD GLU X 23 64.695 -8.712 -2.925 1.00 0.00 C ATOM 353 OE1 GLU X 23 64.462 -8.940 -4.130 1.00 0.00 O ATOM 354 OE2 GLU X 23 65.668 -9.227 -2.332 1.00 0.00 O ATOM 0 H GLU X 23 63.985 -4.112 -1.976 1.00 0.00 H new ATOM 0 HA GLU X 23 64.403 -5.719 -4.244 1.00 0.00 H new ATOM 0 HB2 GLU X 23 65.194 -6.290 -2.052 1.00 0.00 H new ATOM 0 HB3 GLU X 23 63.658 -5.898 -1.305 1.00 0.00 H new ATOM 0 HG2 GLU X 23 63.731 -8.159 -1.113 1.00 0.00 H new ATOM 0 HG3 GLU X 23 62.750 -7.942 -2.548 1.00 0.00 H new ATOM 361 N LYS X 24 61.351 -5.644 -3.089 1.00 0.00 N ATOM 362 CA LYS X 24 59.978 -5.980 -3.312 1.00 0.00 C ATOM 363 C LYS X 24 59.466 -5.369 -4.617 1.00 0.00 C ATOM 364 O LYS X 24 58.922 -6.082 -5.480 1.00 0.00 O ATOM 365 CB LYS X 24 59.152 -5.489 -2.133 1.00 0.00 C ATOM 366 CG LYS X 24 57.777 -6.096 -2.054 1.00 0.00 C ATOM 367 CD LYS X 24 56.948 -5.482 -0.931 1.00 0.00 C ATOM 368 CE LYS X 24 57.498 -5.803 0.452 1.00 0.00 C ATOM 369 NZ LYS X 24 57.454 -7.256 0.758 1.00 0.00 N ATOM 0 H LYS X 24 61.502 -5.108 -2.235 1.00 0.00 H new ATOM 0 HA LYS X 24 59.886 -7.063 -3.400 1.00 0.00 H new ATOM 0 HB2 LYS X 24 59.689 -5.709 -1.210 1.00 0.00 H new ATOM 0 HB3 LYS X 24 59.056 -4.405 -2.196 1.00 0.00 H new ATOM 0 HG2 LYS X 24 57.262 -5.954 -3.004 1.00 0.00 H new ATOM 0 HG3 LYS X 24 57.863 -7.171 -1.896 1.00 0.00 H new ATOM 0 HD2 LYS X 24 56.913 -4.400 -1.061 1.00 0.00 H new ATOM 0 HD3 LYS X 24 55.923 -5.845 -1.002 1.00 0.00 H new ATOM 0 HE2 LYS X 24 58.527 -5.451 0.521 1.00 0.00 H new ATOM 0 HE3 LYS X 24 56.925 -5.259 1.203 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 57.661 -7.405 1.766 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 56.508 -7.628 0.540 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 58.163 -7.754 0.182 1.00 0.00 H new ATOM 383 N GLU X 25 59.659 -4.072 -4.788 1.00 0.00 N ATOM 384 CA GLU X 25 59.187 -3.424 -5.963 1.00 0.00 C ATOM 385 C GLU X 25 60.135 -3.578 -7.145 1.00 0.00 C ATOM 386 O GLU X 25 59.749 -3.313 -8.276 1.00 0.00 O ATOM 387 CB GLU X 25 58.889 -1.960 -5.715 1.00 0.00 C ATOM 388 CG GLU X 25 57.828 -1.677 -4.659 1.00 0.00 C ATOM 389 CD GLU X 25 56.549 -2.468 -4.824 1.00 0.00 C ATOM 390 OE1 GLU X 25 56.467 -3.610 -4.367 1.00 0.00 O ATOM 391 OE2 GLU X 25 55.579 -1.927 -5.406 1.00 0.00 O ATOM 0 H GLU X 25 60.138 -3.465 -4.123 1.00 0.00 H new ATOM 0 HA GLU X 25 58.257 -3.928 -6.225 1.00 0.00 H new ATOM 0 HB2 GLU X 25 59.813 -1.464 -5.419 1.00 0.00 H new ATOM 0 HB3 GLU X 25 58.572 -1.507 -6.654 1.00 0.00 H new ATOM 0 HG2 GLU X 25 58.247 -1.890 -3.676 1.00 0.00 H new ATOM 0 HG3 GLU X 25 57.588 -0.614 -4.680 1.00 0.00 H new ATOM 398 N ASN X 26 61.362 -4.000 -6.894 1.00 0.00 N ATOM 399 CA ASN X 26 62.352 -4.184 -7.965 1.00 0.00 C ATOM 400 C ASN X 26 61.973 -5.360 -8.827 1.00 0.00 C ATOM 401 O ASN X 26 61.936 -5.258 -10.048 1.00 0.00 O ATOM 402 CB ASN X 26 63.764 -4.397 -7.396 1.00 0.00 C ATOM 403 CG ASN X 26 64.840 -4.520 -8.464 1.00 0.00 C ATOM 404 OD1 ASN X 26 64.751 -3.926 -9.549 1.00 0.00 O ATOM 405 ND2 ASN X 26 65.856 -5.293 -8.180 1.00 0.00 N ATOM 0 H ASN X 26 61.706 -4.224 -5.960 1.00 0.00 H new ATOM 0 HA ASN X 26 62.359 -3.276 -8.567 1.00 0.00 H new ATOM 0 HB2 ASN X 26 64.011 -3.564 -6.738 1.00 0.00 H new ATOM 0 HB3 ASN X 26 63.767 -5.299 -6.783 1.00 0.00 H new ATOM 0 HD21 ASN X 26 66.605 -5.421 -8.860 1.00 0.00 H new ATOM 0 HD22 ASN X 26 65.899 -5.768 -7.278 1.00 0.00 H new ATOM 412 N VAL X 27 61.633 -6.469 -8.188 1.00 0.00 N ATOM 413 CA VAL X 27 61.257 -7.679 -8.919 1.00 0.00 C ATOM 414 C VAL X 27 59.892 -7.522 -9.584 1.00 0.00 C ATOM 415 O VAL X 27 59.555 -8.243 -10.518 1.00 0.00 O ATOM 416 CB VAL X 27 61.280 -8.954 -8.030 1.00 0.00 C ATOM 417 CG1 VAL X 27 62.676 -9.193 -7.469 1.00 0.00 C ATOM 418 CG2 VAL X 27 60.251 -8.870 -6.908 1.00 0.00 C ATOM 0 H VAL X 27 61.608 -6.561 -7.172 1.00 0.00 H new ATOM 0 HA VAL X 27 62.014 -7.813 -9.692 1.00 0.00 H new ATOM 0 HB VAL X 27 61.012 -9.803 -8.659 1.00 0.00 H new ATOM 0 HG11 VAL X 27 62.671 -10.090 -6.850 1.00 0.00 H new ATOM 0 HG12 VAL X 27 63.381 -9.323 -8.290 1.00 0.00 H new ATOM 0 HG13 VAL X 27 62.977 -8.337 -6.865 1.00 0.00 H new ATOM 0 HG21 VAL X 27 60.294 -9.778 -6.306 1.00 0.00 H new ATOM 0 HG22 VAL X 27 60.468 -8.007 -6.279 1.00 0.00 H new ATOM 0 HG23 VAL X 27 59.254 -8.766 -7.336 1.00 0.00 H new ATOM 428 N ALA X 28 59.119 -6.574 -9.099 1.00 0.00 N ATOM 429 CA ALA X 28 57.816 -6.276 -9.663 1.00 0.00 C ATOM 430 C ALA X 28 57.949 -5.218 -10.747 1.00 0.00 C ATOM 431 O ALA X 28 57.062 -5.063 -11.597 1.00 0.00 O ATOM 432 CB ALA X 28 56.888 -5.777 -8.570 1.00 0.00 C ATOM 0 H ALA X 28 59.374 -5.988 -8.304 1.00 0.00 H new ATOM 0 HA ALA X 28 57.401 -7.184 -10.102 1.00 0.00 H new ATOM 0 HB1 ALA X 28 55.910 -5.554 -8.997 1.00 0.00 H new ATOM 0 HB2 ALA X 28 56.783 -6.545 -7.803 1.00 0.00 H new ATOM 0 HB3 ALA X 28 57.304 -4.874 -8.124 1.00 0.00 H new ATOM 438 N ALA X 29 59.074 -4.516 -10.702 1.00 0.00 N ATOM 439 CA ALA X 29 59.399 -3.404 -11.573 1.00 0.00 C ATOM 440 C ALA X 29 58.301 -2.358 -11.586 1.00 0.00 C ATOM 441 O ALA X 29 57.501 -2.276 -12.522 1.00 0.00 O ATOM 442 CB ALA X 29 59.784 -3.845 -12.978 1.00 0.00 C ATOM 0 H ALA X 29 59.813 -4.718 -10.028 1.00 0.00 H new ATOM 0 HA ALA X 29 60.287 -2.935 -11.150 1.00 0.00 H new ATOM 0 HB1 ALA X 29 60.016 -2.969 -13.583 1.00 0.00 H new ATOM 0 HB2 ALA X 29 60.658 -4.494 -12.929 1.00 0.00 H new ATOM 0 HB3 ALA X 29 58.954 -4.388 -13.429 1.00 0.00 H new ATOM 448 N THR X 30 58.200 -1.631 -10.507 1.00 0.00 N ATOM 449 CA THR X 30 57.251 -0.560 -10.423 1.00 0.00 C ATOM 450 C THR X 30 57.945 0.722 -10.826 1.00 0.00 C ATOM 451 O THR X 30 59.060 0.687 -11.368 1.00 0.00 O ATOM 452 CB THR X 30 56.651 -0.449 -8.996 1.00 0.00 C ATOM 453 OG1 THR X 30 57.687 -0.289 -8.037 1.00 0.00 O ATOM 454 CG2 THR X 30 55.870 -1.699 -8.670 1.00 0.00 C ATOM 0 H THR X 30 58.768 -1.764 -9.670 1.00 0.00 H new ATOM 0 HA THR X 30 56.417 -0.755 -11.098 1.00 0.00 H new ATOM 0 HB THR X 30 55.992 0.418 -8.965 1.00 0.00 H new ATOM 0 HG1 THR X 30 57.592 0.580 -7.595 1.00 0.00 H new ATOM 0 HG21 THR X 30 55.451 -1.615 -7.667 1.00 0.00 H new ATOM 0 HG22 THR X 30 55.062 -1.822 -9.391 1.00 0.00 H new ATOM 0 HG23 THR X 30 56.532 -2.564 -8.716 1.00 0.00 H new ATOM 462 N ASP X 31 57.328 1.827 -10.598 1.00 0.00 N ATOM 463 CA ASP X 31 57.934 3.074 -10.956 1.00 0.00 C ATOM 464 C ASP X 31 57.808 4.087 -9.867 1.00 0.00 C ATOM 465 O ASP X 31 58.811 4.591 -9.384 1.00 0.00 O ATOM 466 CB ASP X 31 57.356 3.621 -12.246 1.00 0.00 C ATOM 467 CG ASP X 31 57.917 4.982 -12.591 1.00 0.00 C ATOM 468 OD1 ASP X 31 59.044 5.056 -13.121 1.00 0.00 O ATOM 469 OD2 ASP X 31 57.247 5.996 -12.326 1.00 0.00 O ATOM 0 H ASP X 31 56.407 1.900 -10.167 1.00 0.00 H new ATOM 0 HA ASP X 31 58.994 2.873 -11.109 1.00 0.00 H new ATOM 0 HB2 ASP X 31 57.566 2.927 -13.059 1.00 0.00 H new ATOM 0 HB3 ASP X 31 56.272 3.689 -12.156 1.00 0.00 H new ATOM 474 N ASP X 32 56.586 4.349 -9.439 1.00 0.00 N ATOM 475 CA ASP X 32 56.343 5.415 -8.471 1.00 0.00 C ATOM 476 C ASP X 32 57.106 5.253 -7.188 1.00 0.00 C ATOM 477 O ASP X 32 57.758 6.186 -6.764 1.00 0.00 O ATOM 478 CB ASP X 32 54.856 5.713 -8.216 1.00 0.00 C ATOM 479 CG ASP X 32 54.068 4.554 -7.645 1.00 0.00 C ATOM 480 OD1 ASP X 32 53.554 3.734 -8.424 1.00 0.00 O ATOM 481 OD2 ASP X 32 53.913 4.472 -6.418 1.00 0.00 O ATOM 0 H ASP X 32 55.751 3.847 -9.740 1.00 0.00 H new ATOM 0 HA ASP X 32 56.745 6.301 -8.963 1.00 0.00 H new ATOM 0 HB2 ASP X 32 54.781 6.558 -7.532 1.00 0.00 H new ATOM 0 HB3 ASP X 32 54.395 6.021 -9.154 1.00 0.00 H new ATOM 486 N VAL X 33 57.082 4.088 -6.596 1.00 0.00 N ATOM 487 CA VAL X 33 57.824 3.914 -5.361 1.00 0.00 C ATOM 488 C VAL X 33 59.239 3.502 -5.675 1.00 0.00 C ATOM 489 O VAL X 33 60.160 3.914 -5.021 1.00 0.00 O ATOM 490 CB VAL X 33 57.184 2.890 -4.397 1.00 0.00 C ATOM 491 CG1 VAL X 33 57.225 1.500 -4.915 1.00 0.00 C ATOM 492 CG2 VAL X 33 57.748 3.000 -2.995 1.00 0.00 C ATOM 0 H VAL X 33 56.577 3.267 -6.929 1.00 0.00 H new ATOM 0 HA VAL X 33 57.808 4.876 -4.848 1.00 0.00 H new ATOM 0 HB VAL X 33 56.128 3.151 -4.335 1.00 0.00 H new ATOM 0 HG11 VAL X 33 56.760 0.829 -4.193 1.00 0.00 H new ATOM 0 HG12 VAL X 33 56.684 1.448 -5.860 1.00 0.00 H new ATOM 0 HG13 VAL X 33 58.261 1.201 -5.074 1.00 0.00 H new ATOM 0 HG21 VAL X 33 57.270 2.262 -2.351 1.00 0.00 H new ATOM 0 HG22 VAL X 33 58.822 2.818 -3.020 1.00 0.00 H new ATOM 0 HG23 VAL X 33 57.558 4.000 -2.604 1.00 0.00 H new ATOM 502 N LEU X 34 59.386 2.759 -6.746 1.00 0.00 N ATOM 503 CA LEU X 34 60.650 2.204 -7.169 1.00 0.00 C ATOM 504 C LEU X 34 61.633 3.319 -7.409 1.00 0.00 C ATOM 505 O LEU X 34 62.742 3.272 -6.902 1.00 0.00 O ATOM 506 CB LEU X 34 60.383 1.370 -8.430 1.00 0.00 C ATOM 507 CG LEU X 34 61.491 0.478 -9.020 1.00 0.00 C ATOM 508 CD1 LEU X 34 62.416 1.266 -9.904 1.00 0.00 C ATOM 509 CD2 LEU X 34 62.262 -0.261 -7.930 1.00 0.00 C ATOM 0 H LEU X 34 58.610 2.518 -7.363 1.00 0.00 H new ATOM 0 HA LEU X 34 61.089 1.560 -6.407 1.00 0.00 H new ATOM 0 HB2 LEU X 34 59.530 0.726 -8.217 1.00 0.00 H new ATOM 0 HB3 LEU X 34 60.073 2.061 -9.214 1.00 0.00 H new ATOM 0 HG LEU X 34 61.003 -0.275 -9.639 1.00 0.00 H new ATOM 0 HD11 LEU X 34 63.186 0.607 -10.304 1.00 0.00 H new ATOM 0 HD12 LEU X 34 61.849 1.703 -10.726 1.00 0.00 H new ATOM 0 HD13 LEU X 34 62.884 2.061 -9.324 1.00 0.00 H new ATOM 0 HD21 LEU X 34 63.035 -0.880 -8.387 1.00 0.00 H new ATOM 0 HD22 LEU X 34 62.725 0.462 -7.258 1.00 0.00 H new ATOM 0 HD23 LEU X 34 61.577 -0.894 -7.365 1.00 0.00 H new ATOM 521 N ASP X 35 61.197 4.371 -8.079 1.00 0.00 N ATOM 522 CA ASP X 35 62.102 5.465 -8.387 1.00 0.00 C ATOM 523 C ASP X 35 62.434 6.220 -7.137 1.00 0.00 C ATOM 524 O ASP X 35 63.558 6.680 -6.968 1.00 0.00 O ATOM 525 CB ASP X 35 61.549 6.396 -9.457 1.00 0.00 C ATOM 526 CG ASP X 35 62.622 6.949 -10.365 1.00 0.00 C ATOM 527 OD1 ASP X 35 63.453 7.766 -9.930 1.00 0.00 O ATOM 528 OD2 ASP X 35 62.662 6.536 -11.556 1.00 0.00 O ATOM 0 H ASP X 35 60.241 4.491 -8.415 1.00 0.00 H new ATOM 0 HA ASP X 35 63.014 5.032 -8.797 1.00 0.00 H new ATOM 0 HB2 ASP X 35 60.815 5.857 -10.056 1.00 0.00 H new ATOM 0 HB3 ASP X 35 61.025 7.222 -8.977 1.00 0.00 H new ATOM 533 N VAL X 36 61.473 6.275 -6.218 1.00 0.00 N ATOM 534 CA VAL X 36 61.694 6.937 -4.946 1.00 0.00 C ATOM 535 C VAL X 36 62.765 6.246 -4.215 1.00 0.00 C ATOM 536 O VAL X 36 63.717 6.850 -3.785 1.00 0.00 O ATOM 537 CB VAL X 36 60.477 6.803 -4.000 1.00 0.00 C ATOM 538 CG1 VAL X 36 60.791 7.369 -2.656 1.00 0.00 C ATOM 539 CG2 VAL X 36 59.330 7.485 -4.514 1.00 0.00 C ATOM 0 H VAL X 36 60.543 5.871 -6.333 1.00 0.00 H new ATOM 0 HA VAL X 36 61.910 7.978 -5.185 1.00 0.00 H new ATOM 0 HB VAL X 36 60.257 5.738 -3.921 1.00 0.00 H new ATOM 0 HG11 VAL X 36 59.923 7.265 -2.006 1.00 0.00 H new ATOM 0 HG12 VAL X 36 61.635 6.832 -2.223 1.00 0.00 H new ATOM 0 HG13 VAL X 36 61.045 8.424 -2.756 1.00 0.00 H new ATOM 0 HG21 VAL X 36 58.496 7.368 -3.822 1.00 0.00 H new ATOM 0 HG22 VAL X 36 59.559 8.544 -4.631 1.00 0.00 H new ATOM 0 HG23 VAL X 36 59.060 7.063 -5.482 1.00 0.00 H new ATOM 549 N LEU X 37 62.610 4.972 -4.141 1.00 0.00 N ATOM 550 CA LEU X 37 63.423 4.161 -3.329 1.00 0.00 C ATOM 551 C LEU X 37 64.815 4.099 -3.835 1.00 0.00 C ATOM 552 O LEU X 37 65.762 4.185 -3.064 1.00 0.00 O ATOM 553 CB LEU X 37 62.865 2.794 -3.242 1.00 0.00 C ATOM 554 CG LEU X 37 61.411 2.637 -2.785 1.00 0.00 C ATOM 555 CD1 LEU X 37 61.010 1.174 -2.770 1.00 0.00 C ATOM 556 CD2 LEU X 37 61.178 3.272 -1.419 1.00 0.00 C ATOM 0 H LEU X 37 61.896 4.460 -4.658 1.00 0.00 H new ATOM 0 HA LEU X 37 63.442 4.611 -2.336 1.00 0.00 H new ATOM 0 HB2 LEU X 37 62.957 2.333 -4.225 1.00 0.00 H new ATOM 0 HB3 LEU X 37 63.493 2.220 -2.560 1.00 0.00 H new ATOM 0 HG LEU X 37 60.782 3.163 -3.503 1.00 0.00 H new ATOM 0 HD11 LEU X 37 59.974 1.084 -2.443 1.00 0.00 H new ATOM 0 HD12 LEU X 37 61.111 0.759 -3.773 1.00 0.00 H new ATOM 0 HD13 LEU X 37 61.656 0.627 -2.084 1.00 0.00 H new ATOM 0 HD21 LEU X 37 60.135 3.140 -1.129 1.00 0.00 H new ATOM 0 HD22 LEU X 37 61.823 2.795 -0.681 1.00 0.00 H new ATOM 0 HD23 LEU X 37 61.409 4.336 -1.468 1.00 0.00 H new ATOM 568 N LEU X 38 64.930 3.956 -5.126 1.00 0.00 N ATOM 569 CA LEU X 38 66.201 3.893 -5.773 1.00 0.00 C ATOM 570 C LEU X 38 66.985 5.172 -5.523 1.00 0.00 C ATOM 571 O LEU X 38 68.164 5.130 -5.151 1.00 0.00 O ATOM 572 CB LEU X 38 66.021 3.616 -7.262 1.00 0.00 C ATOM 573 CG LEU X 38 65.413 2.267 -7.670 1.00 0.00 C ATOM 574 CD1 LEU X 38 65.669 2.007 -9.123 1.00 0.00 C ATOM 575 CD2 LEU X 38 65.927 1.124 -6.837 1.00 0.00 C ATOM 0 H LEU X 38 64.134 3.880 -5.760 1.00 0.00 H new ATOM 0 HA LEU X 38 66.778 3.069 -5.353 1.00 0.00 H new ATOM 0 HB2 LEU X 38 65.394 4.405 -7.676 1.00 0.00 H new ATOM 0 HB3 LEU X 38 66.997 3.702 -7.739 1.00 0.00 H new ATOM 0 HG LEU X 38 64.340 2.331 -7.492 1.00 0.00 H new ATOM 0 HD11 LEU X 38 65.234 1.048 -9.403 1.00 0.00 H new ATOM 0 HD12 LEU X 38 65.216 2.799 -9.720 1.00 0.00 H new ATOM 0 HD13 LEU X 38 66.743 1.985 -9.305 1.00 0.00 H new ATOM 0 HD21 LEU X 38 65.464 0.195 -7.169 1.00 0.00 H new ATOM 0 HD22 LEU X 38 67.009 1.050 -6.948 1.00 0.00 H new ATOM 0 HD23 LEU X 38 65.681 1.298 -5.789 1.00 0.00 H new ATOM 587 N GLU X 39 66.310 6.295 -5.664 1.00 0.00 N ATOM 588 CA GLU X 39 66.901 7.588 -5.398 1.00 0.00 C ATOM 589 C GLU X 39 67.145 7.807 -3.917 1.00 0.00 C ATOM 590 O GLU X 39 68.151 8.379 -3.522 1.00 0.00 O ATOM 591 CB GLU X 39 65.991 8.669 -5.901 1.00 0.00 C ATOM 592 CG GLU X 39 66.032 8.884 -7.386 1.00 0.00 C ATOM 593 CD GLU X 39 67.364 9.430 -7.829 1.00 0.00 C ATOM 594 OE1 GLU X 39 67.568 10.648 -7.703 1.00 0.00 O ATOM 595 OE2 GLU X 39 68.243 8.664 -8.295 1.00 0.00 O ATOM 0 H GLU X 39 65.337 6.335 -5.966 1.00 0.00 H new ATOM 0 HA GLU X 39 67.862 7.620 -5.912 1.00 0.00 H new ATOM 0 HB2 GLU X 39 64.968 8.428 -5.611 1.00 0.00 H new ATOM 0 HB3 GLU X 39 66.251 9.604 -5.405 1.00 0.00 H new ATOM 0 HG2 GLU X 39 65.836 7.941 -7.897 1.00 0.00 H new ATOM 0 HG3 GLU X 39 65.240 9.574 -7.677 1.00 0.00 H new ATOM 602 N HIS X 40 66.223 7.353 -3.117 1.00 0.00 N ATOM 603 CA HIS X 40 66.262 7.544 -1.686 1.00 0.00 C ATOM 604 C HIS X 40 67.459 6.820 -1.109 1.00 0.00 C ATOM 605 O HIS X 40 68.203 7.359 -0.309 1.00 0.00 O ATOM 606 CB HIS X 40 64.953 7.043 -1.049 1.00 0.00 C ATOM 607 CG HIS X 40 64.767 7.403 0.393 1.00 0.00 C ATOM 608 ND1 HIS X 40 63.854 8.333 0.837 1.00 0.00 N ATOM 609 CD2 HIS X 40 65.378 6.926 1.499 1.00 0.00 C ATOM 610 CE1 HIS X 40 63.936 8.388 2.161 1.00 0.00 C ATOM 611 NE2 HIS X 40 64.852 7.551 2.615 1.00 0.00 N ATOM 0 H HIS X 40 65.409 6.831 -3.441 1.00 0.00 H new ATOM 0 HA HIS X 40 66.360 8.607 -1.464 1.00 0.00 H new ATOM 0 HB2 HIS X 40 64.114 7.444 -1.618 1.00 0.00 H new ATOM 0 HB3 HIS X 40 64.913 5.958 -1.144 1.00 0.00 H new ATOM 0 HD1 HIS X 40 63.225 8.883 0.252 1.00 0.00 H new ATOM 0 HD2 HIS X 40 66.154 6.175 1.510 1.00 0.00 H new ATOM 0 HE1 HIS X 40 63.334 9.032 2.785 1.00 0.00 H new ATOM 619 N PHE X 41 67.637 5.623 -1.553 1.00 0.00 N ATOM 620 CA PHE X 41 68.736 4.801 -1.158 1.00 0.00 C ATOM 621 C PHE X 41 70.073 5.467 -1.500 1.00 0.00 C ATOM 622 O PHE X 41 70.967 5.576 -0.650 1.00 0.00 O ATOM 623 CB PHE X 41 68.586 3.464 -1.851 1.00 0.00 C ATOM 624 CG PHE X 41 69.784 2.587 -1.803 1.00 0.00 C ATOM 625 CD1 PHE X 41 70.153 1.962 -0.641 1.00 0.00 C ATOM 626 CD2 PHE X 41 70.548 2.392 -2.928 1.00 0.00 C ATOM 627 CE1 PHE X 41 71.264 1.148 -0.602 1.00 0.00 C ATOM 628 CE2 PHE X 41 71.650 1.582 -2.884 1.00 0.00 C ATOM 629 CZ PHE X 41 72.008 0.960 -1.729 1.00 0.00 C ATOM 0 H PHE X 41 67.007 5.175 -2.218 1.00 0.00 H new ATOM 0 HA PHE X 41 68.732 4.658 -0.077 1.00 0.00 H new ATOM 0 HB2 PHE X 41 67.748 2.932 -1.401 1.00 0.00 H new ATOM 0 HB3 PHE X 41 68.327 3.641 -2.895 1.00 0.00 H new ATOM 0 HD1 PHE X 41 69.567 2.109 0.254 1.00 0.00 H new ATOM 0 HD2 PHE X 41 70.277 2.881 -3.852 1.00 0.00 H new ATOM 0 HE1 PHE X 41 71.545 0.660 0.319 1.00 0.00 H new ATOM 0 HE2 PHE X 41 72.241 1.435 -3.776 1.00 0.00 H new ATOM 0 HZ PHE X 41 72.878 0.320 -1.704 1.00 0.00 H new ATOM 639 N VAL X 42 70.214 5.892 -2.726 1.00 0.00 N ATOM 640 CA VAL X 42 71.428 6.539 -3.149 1.00 0.00 C ATOM 641 C VAL X 42 71.642 7.908 -2.499 1.00 0.00 C ATOM 642 O VAL X 42 72.745 8.263 -2.213 1.00 0.00 O ATOM 643 CB VAL X 42 71.586 6.565 -4.686 1.00 0.00 C ATOM 644 CG1 VAL X 42 70.504 7.308 -5.361 1.00 0.00 C ATOM 645 CG2 VAL X 42 72.957 7.031 -5.137 1.00 0.00 C ATOM 0 H VAL X 42 69.503 5.802 -3.451 1.00 0.00 H new ATOM 0 HA VAL X 42 72.240 5.915 -2.776 1.00 0.00 H new ATOM 0 HB VAL X 42 71.496 5.525 -5.000 1.00 0.00 H new ATOM 0 HG11 VAL X 42 70.669 7.292 -6.438 1.00 0.00 H new ATOM 0 HG12 VAL X 42 69.545 6.842 -5.133 1.00 0.00 H new ATOM 0 HG13 VAL X 42 70.498 8.340 -5.010 1.00 0.00 H new ATOM 0 HG21 VAL X 42 73.003 7.026 -6.226 1.00 0.00 H new ATOM 0 HG22 VAL X 42 73.137 8.042 -4.770 1.00 0.00 H new ATOM 0 HG23 VAL X 42 73.718 6.360 -4.739 1.00 0.00 H new ATOM 655 N LYS X 43 70.578 8.636 -2.223 1.00 0.00 N ATOM 656 CA LYS X 43 70.720 9.973 -1.600 1.00 0.00 C ATOM 657 C LYS X 43 71.215 9.874 -0.155 1.00 0.00 C ATOM 658 O LYS X 43 71.963 10.724 0.317 1.00 0.00 O ATOM 659 CB LYS X 43 69.408 10.804 -1.623 1.00 0.00 C ATOM 660 CG LYS X 43 68.335 10.357 -0.614 1.00 0.00 C ATOM 661 CD LYS X 43 67.128 11.281 -0.593 1.00 0.00 C ATOM 662 CE LYS X 43 67.470 12.609 0.075 1.00 0.00 C ATOM 663 NZ LYS X 43 66.362 13.568 0.013 1.00 0.00 N ATOM 0 H LYS X 43 69.617 8.348 -2.409 1.00 0.00 H new ATOM 0 HA LYS X 43 71.460 10.491 -2.210 1.00 0.00 H new ATOM 0 HB2 LYS X 43 69.654 11.848 -1.430 1.00 0.00 H new ATOM 0 HB3 LYS X 43 68.984 10.757 -2.626 1.00 0.00 H new ATOM 0 HG2 LYS X 43 68.009 9.346 -0.860 1.00 0.00 H new ATOM 0 HG3 LYS X 43 68.774 10.317 0.383 1.00 0.00 H new ATOM 0 HD2 LYS X 43 66.784 11.460 -1.612 1.00 0.00 H new ATOM 0 HD3 LYS X 43 66.307 10.802 -0.059 1.00 0.00 H new ATOM 0 HE2 LYS X 43 67.735 12.431 1.117 1.00 0.00 H new ATOM 0 HE3 LYS X 43 68.347 13.040 -0.407 1.00 0.00 H new ATOM 0 HZ1 LYS X 43 66.643 14.454 0.480 1.00 0.00 H new ATOM 0 HZ2 LYS X 43 66.125 13.761 -0.981 1.00 0.00 H new ATOM 0 HZ3 LYS X 43 65.531 13.170 0.496 1.00 0.00 H new ATOM 677 N ILE X 44 70.777 8.859 0.551 1.00 0.00 N ATOM 678 CA ILE X 44 71.149 8.725 1.935 1.00 0.00 C ATOM 679 C ILE X 44 72.551 8.157 2.072 1.00 0.00 C ATOM 680 O ILE X 44 73.289 8.519 2.982 1.00 0.00 O ATOM 681 CB ILE X 44 70.113 7.902 2.753 1.00 0.00 C ATOM 682 CG1 ILE X 44 69.905 6.518 2.133 1.00 0.00 C ATOM 683 CG2 ILE X 44 68.785 8.658 2.827 1.00 0.00 C ATOM 684 CD1 ILE X 44 68.913 5.651 2.852 1.00 0.00 C ATOM 0 H ILE X 44 70.169 8.122 0.193 1.00 0.00 H new ATOM 0 HA ILE X 44 71.151 9.728 2.363 1.00 0.00 H new ATOM 0 HB ILE X 44 70.500 7.766 3.763 1.00 0.00 H new ATOM 0 HG12 ILE X 44 69.577 6.643 1.101 1.00 0.00 H new ATOM 0 HG13 ILE X 44 70.864 6.001 2.102 1.00 0.00 H new ATOM 0 HG21 ILE X 44 68.066 8.074 3.401 1.00 0.00 H new ATOM 0 HG22 ILE X 44 68.941 9.621 3.313 1.00 0.00 H new ATOM 0 HG23 ILE X 44 68.401 8.818 1.820 1.00 0.00 H new ATOM 0 HD11 ILE X 44 68.831 4.691 2.342 1.00 0.00 H new ATOM 0 HD12 ILE X 44 69.247 5.490 3.877 1.00 0.00 H new ATOM 0 HD13 ILE X 44 67.940 6.142 2.860 1.00 0.00 H new ATOM 696 N THR X 45 72.923 7.300 1.156 1.00 0.00 N ATOM 697 CA THR X 45 74.229 6.707 1.180 1.00 0.00 C ATOM 698 C THR X 45 75.255 7.604 0.510 1.00 0.00 C ATOM 699 O THR X 45 76.382 7.751 1.004 1.00 0.00 O ATOM 700 CB THR X 45 74.220 5.326 0.502 1.00 0.00 C ATOM 701 OG1 THR X 45 73.666 5.435 -0.819 1.00 0.00 O ATOM 702 CG2 THR X 45 73.397 4.350 1.309 1.00 0.00 C ATOM 0 H THR X 45 72.333 6.998 0.381 1.00 0.00 H new ATOM 0 HA THR X 45 74.509 6.583 2.226 1.00 0.00 H new ATOM 0 HB THR X 45 75.246 4.963 0.440 1.00 0.00 H new ATOM 0 HG1 THR X 45 72.690 5.356 -0.772 1.00 0.00 H new ATOM 0 HG21 THR X 45 73.400 3.377 0.817 1.00 0.00 H new ATOM 0 HG22 THR X 45 73.824 4.253 2.307 1.00 0.00 H new ATOM 0 HG23 THR X 45 72.373 4.714 1.386 1.00 0.00 H new ATOM 710 N GLU X 46 74.828 8.226 -0.599 1.00 0.00 N ATOM 711 CA GLU X 46 75.664 9.025 -1.469 1.00 0.00 C ATOM 712 C GLU X 46 76.727 8.163 -2.095 1.00 0.00 C ATOM 713 O GLU X 46 77.828 8.613 -2.432 1.00 0.00 O ATOM 714 CB GLU X 46 76.205 10.251 -0.760 1.00 0.00 C ATOM 715 CG GLU X 46 75.141 11.306 -0.567 1.00 0.00 C ATOM 716 CD GLU X 46 74.641 11.828 -1.892 1.00 0.00 C ATOM 717 OE1 GLU X 46 75.379 12.578 -2.556 1.00 0.00 O ATOM 718 OE2 GLU X 46 73.508 11.522 -2.300 1.00 0.00 O ATOM 0 H GLU X 46 73.859 8.177 -0.914 1.00 0.00 H new ATOM 0 HA GLU X 46 75.058 9.420 -2.284 1.00 0.00 H new ATOM 0 HB2 GLU X 46 76.609 9.961 0.210 1.00 0.00 H new ATOM 0 HB3 GLU X 46 77.030 10.669 -1.336 1.00 0.00 H new ATOM 0 HG2 GLU X 46 74.309 10.887 -0.001 1.00 0.00 H new ATOM 0 HG3 GLU X 46 75.545 12.130 0.022 1.00 0.00 H new ATOM 725 N HIS X 47 76.346 6.917 -2.302 1.00 0.00 N ATOM 726 CA HIS X 47 77.198 5.944 -2.897 1.00 0.00 C ATOM 727 C HIS X 47 77.153 6.170 -4.406 1.00 0.00 C ATOM 728 O HIS X 47 76.074 6.301 -4.973 1.00 0.00 O ATOM 729 CB HIS X 47 76.676 4.535 -2.585 1.00 0.00 C ATOM 730 CG HIS X 47 77.709 3.439 -2.683 1.00 0.00 C ATOM 731 ND1 HIS X 47 78.299 2.986 -3.849 1.00 0.00 N ATOM 732 CD2 HIS X 47 78.248 2.708 -1.703 1.00 0.00 C ATOM 733 CE1 HIS X 47 79.147 2.012 -3.529 1.00 0.00 C ATOM 734 NE2 HIS X 47 79.154 1.802 -2.238 1.00 0.00 N ATOM 0 H HIS X 47 75.422 6.563 -2.054 1.00 0.00 H new ATOM 0 HA HIS X 47 78.214 6.035 -2.512 1.00 0.00 H new ATOM 0 HB2 HIS X 47 76.259 4.532 -1.578 1.00 0.00 H new ATOM 0 HB3 HIS X 47 75.859 4.306 -3.269 1.00 0.00 H new ATOM 0 HD2 HIS X 47 78.014 2.807 -0.653 1.00 0.00 H new ATOM 0 HE1 HIS X 47 79.750 1.467 -4.241 1.00 0.00 H new ATOM 0 HE2 HIS X 47 79.710 1.115 -1.729 1.00 0.00 H new ATOM 742 N PRO X 48 78.295 6.152 -5.093 1.00 0.00 N ATOM 743 CA PRO X 48 78.373 6.405 -6.548 1.00 0.00 C ATOM 744 C PRO X 48 77.920 5.223 -7.345 1.00 0.00 C ATOM 745 O PRO X 48 78.052 5.178 -8.579 1.00 0.00 O ATOM 746 CB PRO X 48 79.856 6.535 -6.793 1.00 0.00 C ATOM 747 CG PRO X 48 80.482 6.650 -5.468 1.00 0.00 C ATOM 748 CD PRO X 48 79.616 5.880 -4.553 1.00 0.00 C ATOM 0 HA PRO X 48 77.760 7.261 -6.830 1.00 0.00 H new ATOM 0 HB2 PRO X 48 80.239 5.668 -7.331 1.00 0.00 H new ATOM 0 HB3 PRO X 48 80.074 7.411 -7.404 1.00 0.00 H new ATOM 0 HG2 PRO X 48 81.496 6.250 -5.477 1.00 0.00 H new ATOM 0 HG3 PRO X 48 80.553 7.692 -5.157 1.00 0.00 H new ATOM 0 HD2 PRO X 48 79.852 4.816 -4.566 1.00 0.00 H new ATOM 0 HD3 PRO X 48 79.712 6.215 -3.520 1.00 0.00 H new ATOM 756 N ASP X 49 77.369 4.287 -6.671 1.00 0.00 N ATOM 757 CA ASP X 49 77.045 3.077 -7.263 1.00 0.00 C ATOM 758 C ASP X 49 75.725 2.678 -6.684 1.00 0.00 C ATOM 759 O ASP X 49 75.356 1.527 -6.737 1.00 0.00 O ATOM 760 CB ASP X 49 78.063 1.974 -6.914 1.00 0.00 C ATOM 761 CG ASP X 49 79.508 2.278 -7.281 1.00 0.00 C ATOM 762 OD1 ASP X 49 80.203 2.992 -6.520 1.00 0.00 O ATOM 763 OD2 ASP X 49 79.973 1.796 -8.321 1.00 0.00 O ATOM 0 H ASP X 49 77.133 4.354 -5.681 1.00 0.00 H new ATOM 0 HA ASP X 49 77.033 3.191 -8.347 1.00 0.00 H new ATOM 0 HB2 ASP X 49 78.011 1.782 -5.842 1.00 0.00 H new ATOM 0 HB3 ASP X 49 77.764 1.055 -7.418 1.00 0.00 H new ATOM 768 N GLY X 50 75.024 3.673 -6.120 1.00 0.00 N ATOM 769 CA GLY X 50 73.783 3.477 -5.377 1.00 0.00 C ATOM 770 C GLY X 50 72.851 2.537 -5.992 1.00 0.00 C ATOM 771 O GLY X 50 72.695 1.412 -5.527 1.00 0.00 O ATOM 0 H GLY X 50 75.313 4.650 -6.172 1.00 0.00 H new ATOM 0 HA2 GLY X 50 74.026 3.124 -4.375 1.00 0.00 H new ATOM 0 HA3 GLY X 50 73.286 4.440 -5.264 1.00 0.00 H new ATOM 775 N THR X 51 72.312 2.908 -7.061 1.00 0.00 N ATOM 776 CA THR X 51 71.293 2.108 -7.622 1.00 0.00 C ATOM 777 C THR X 51 71.879 0.843 -8.271 1.00 0.00 C ATOM 778 O THR X 51 71.196 -0.169 -8.407 1.00 0.00 O ATOM 779 CB THR X 51 70.435 2.903 -8.586 1.00 0.00 C ATOM 780 OG1 THR X 51 70.402 4.284 -8.135 1.00 0.00 O ATOM 781 CG2 THR X 51 69.027 2.356 -8.526 1.00 0.00 C ATOM 0 H THR X 51 72.546 3.756 -7.578 1.00 0.00 H new ATOM 0 HA THR X 51 70.637 1.780 -6.815 1.00 0.00 H new ATOM 0 HB THR X 51 70.833 2.837 -9.598 1.00 0.00 H new ATOM 0 HG1 THR X 51 69.852 4.815 -8.748 1.00 0.00 H new ATOM 0 HG21 THR X 51 68.390 2.914 -9.213 1.00 0.00 H new ATOM 0 HG22 THR X 51 69.033 1.304 -8.810 1.00 0.00 H new ATOM 0 HG23 THR X 51 68.641 2.456 -7.512 1.00 0.00 H new ATOM 789 N ALA X 52 73.179 0.876 -8.556 1.00 0.00 N ATOM 790 CA ALA X 52 73.858 -0.259 -9.135 1.00 0.00 C ATOM 791 C ALA X 52 73.988 -1.346 -8.111 1.00 0.00 C ATOM 792 O ALA X 52 73.878 -2.498 -8.444 1.00 0.00 O ATOM 793 CB ALA X 52 75.204 0.135 -9.685 1.00 0.00 C ATOM 0 H ALA X 52 73.777 1.685 -8.391 1.00 0.00 H new ATOM 0 HA ALA X 52 73.266 -0.634 -9.970 1.00 0.00 H new ATOM 0 HB1 ALA X 52 75.692 -0.740 -10.114 1.00 0.00 H new ATOM 0 HB2 ALA X 52 75.074 0.893 -10.457 1.00 0.00 H new ATOM 0 HB3 ALA X 52 75.822 0.537 -8.882 1.00 0.00 H new ATOM 799 N LEU X 53 74.166 -0.958 -6.854 1.00 0.00 N ATOM 800 CA LEU X 53 74.240 -1.903 -5.753 1.00 0.00 C ATOM 801 C LEU X 53 72.950 -2.658 -5.616 1.00 0.00 C ATOM 802 O LEU X 53 72.947 -3.854 -5.369 1.00 0.00 O ATOM 803 CB LEU X 53 74.597 -1.206 -4.446 1.00 0.00 C ATOM 804 CG LEU X 53 76.007 -0.622 -4.377 1.00 0.00 C ATOM 805 CD1 LEU X 53 76.250 -0.031 -3.028 1.00 0.00 C ATOM 806 CD2 LEU X 53 77.062 -1.675 -4.689 1.00 0.00 C ATOM 0 H LEU X 53 74.263 0.018 -6.573 1.00 0.00 H new ATOM 0 HA LEU X 53 75.035 -2.614 -5.978 1.00 0.00 H new ATOM 0 HB2 LEU X 53 73.881 -0.402 -4.275 1.00 0.00 H new ATOM 0 HB3 LEU X 53 74.477 -1.918 -3.630 1.00 0.00 H new ATOM 0 HG LEU X 53 76.085 0.161 -5.132 1.00 0.00 H new ATOM 0 HD11 LEU X 53 77.258 0.383 -2.988 1.00 0.00 H new ATOM 0 HD12 LEU X 53 75.525 0.761 -2.842 1.00 0.00 H new ATOM 0 HD13 LEU X 53 76.145 -0.805 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU X 53 78.053 -1.225 -4.631 1.00 0.00 H new ATOM 0 HD22 LEU X 53 76.989 -2.488 -3.967 1.00 0.00 H new ATOM 0 HD23 LEU X 53 76.899 -2.067 -5.693 1.00 0.00 H new ATOM 818 N ILE X 54 71.855 -1.963 -5.834 1.00 0.00 N ATOM 819 CA ILE X 54 70.532 -2.583 -5.784 1.00 0.00 C ATOM 820 C ILE X 54 70.400 -3.566 -6.935 1.00 0.00 C ATOM 821 O ILE X 54 69.989 -4.721 -6.764 1.00 0.00 O ATOM 822 CB ILE X 54 69.415 -1.509 -5.865 1.00 0.00 C ATOM 823 CG1 ILE X 54 69.291 -0.759 -4.539 1.00 0.00 C ATOM 824 CG2 ILE X 54 68.066 -2.120 -6.266 1.00 0.00 C ATOM 825 CD1 ILE X 54 68.522 0.524 -4.658 1.00 0.00 C ATOM 0 H ILE X 54 71.846 -0.966 -6.049 1.00 0.00 H new ATOM 0 HA ILE X 54 70.422 -3.110 -4.836 1.00 0.00 H new ATOM 0 HB ILE X 54 69.699 -0.800 -6.643 1.00 0.00 H new ATOM 0 HG12 ILE X 54 68.801 -1.403 -3.809 1.00 0.00 H new ATOM 0 HG13 ILE X 54 70.288 -0.544 -4.156 1.00 0.00 H new ATOM 0 HG21 ILE X 54 67.310 -1.336 -6.312 1.00 0.00 H new ATOM 0 HG22 ILE X 54 68.157 -2.593 -7.244 1.00 0.00 H new ATOM 0 HG23 ILE X 54 67.771 -2.866 -5.528 1.00 0.00 H new ATOM 0 HD11 ILE X 54 68.469 1.008 -3.683 1.00 0.00 H new ATOM 0 HD12 ILE X 54 69.024 1.185 -5.365 1.00 0.00 H new ATOM 0 HD13 ILE X 54 67.513 0.312 -5.013 1.00 0.00 H new ATOM 837 N TYR X 55 70.787 -3.102 -8.092 1.00 0.00 N ATOM 838 CA TYR X 55 70.728 -3.875 -9.286 1.00 0.00 C ATOM 839 C TYR X 55 71.619 -5.111 -9.242 1.00 0.00 C ATOM 840 O TYR X 55 71.154 -6.224 -9.546 1.00 0.00 O ATOM 841 CB TYR X 55 70.980 -3.003 -10.499 1.00 0.00 C ATOM 842 CG TYR X 55 69.739 -2.260 -10.952 1.00 0.00 C ATOM 843 CD1 TYR X 55 68.668 -2.950 -11.500 1.00 0.00 C ATOM 844 CD2 TYR X 55 69.617 -0.889 -10.801 1.00 0.00 C ATOM 845 CE1 TYR X 55 67.518 -2.294 -11.887 1.00 0.00 C ATOM 846 CE2 TYR X 55 68.470 -0.226 -11.179 1.00 0.00 C ATOM 847 CZ TYR X 55 67.421 -0.936 -11.724 1.00 0.00 C ATOM 848 OH TYR X 55 66.265 -0.287 -12.097 1.00 0.00 O ATOM 0 H TYR X 55 71.157 -2.161 -8.226 1.00 0.00 H new ATOM 0 HA TYR X 55 69.715 -4.268 -9.372 1.00 0.00 H new ATOM 0 HB2 TYR X 55 71.765 -2.283 -10.267 1.00 0.00 H new ATOM 0 HB3 TYR X 55 71.347 -3.623 -11.317 1.00 0.00 H new ATOM 0 HD1 TYR X 55 68.736 -4.020 -11.626 1.00 0.00 H new ATOM 0 HD2 TYR X 55 70.438 -0.328 -10.378 1.00 0.00 H new ATOM 0 HE1 TYR X 55 66.697 -2.848 -12.317 1.00 0.00 H new ATOM 0 HE2 TYR X 55 68.393 0.843 -11.049 1.00 0.00 H new ATOM 0 HH TYR X 55 66.355 0.672 -11.916 1.00 0.00 H new ATOM 858 N GLU X 56 72.866 -4.946 -8.830 1.00 0.00 N ATOM 859 CA GLU X 56 73.752 -6.075 -8.709 1.00 0.00 C ATOM 860 C GLU X 56 73.284 -7.026 -7.625 1.00 0.00 C ATOM 861 O GLU X 56 73.395 -8.205 -7.798 1.00 0.00 O ATOM 862 CB GLU X 56 75.233 -5.704 -8.526 1.00 0.00 C ATOM 863 CG GLU X 56 75.528 -4.804 -7.351 1.00 0.00 C ATOM 864 CD GLU X 56 76.982 -4.792 -6.986 1.00 0.00 C ATOM 865 OE1 GLU X 56 77.434 -5.692 -6.218 1.00 0.00 O ATOM 866 OE2 GLU X 56 77.717 -3.906 -7.460 1.00 0.00 O ATOM 0 H GLU X 56 73.277 -4.047 -8.578 1.00 0.00 H new ATOM 0 HA GLU X 56 73.702 -6.585 -9.671 1.00 0.00 H new ATOM 0 HB2 GLU X 56 75.810 -6.622 -8.414 1.00 0.00 H new ATOM 0 HB3 GLU X 56 75.584 -5.215 -9.435 1.00 0.00 H new ATOM 0 HG2 GLU X 56 75.208 -3.789 -7.586 1.00 0.00 H new ATOM 0 HG3 GLU X 56 74.944 -5.132 -6.491 1.00 0.00 H new ATOM 873 N ALA X 57 72.734 -6.505 -6.521 1.00 0.00 N ATOM 874 CA ALA X 57 72.229 -7.358 -5.432 1.00 0.00 C ATOM 875 C ALA X 57 71.172 -8.315 -5.940 1.00 0.00 C ATOM 876 O ALA X 57 71.187 -9.487 -5.596 1.00 0.00 O ATOM 877 CB ALA X 57 71.666 -6.527 -4.297 1.00 0.00 C ATOM 0 H ALA X 57 72.627 -5.504 -6.356 1.00 0.00 H new ATOM 0 HA ALA X 57 73.074 -7.934 -5.053 1.00 0.00 H new ATOM 0 HB1 ALA X 57 71.302 -7.186 -3.509 1.00 0.00 H new ATOM 0 HB2 ALA X 57 72.447 -5.881 -3.897 1.00 0.00 H new ATOM 0 HB3 ALA X 57 70.843 -5.915 -4.667 1.00 0.00 H new ATOM 1025 N GLY X 71 70.851 -10.783 -1.136 1.00 0.00 N ATOM 1026 CA GLY X 71 69.692 -10.331 -0.471 1.00 0.00 C ATOM 1027 C GLY X 71 69.844 -8.918 0.012 1.00 0.00 C ATOM 1028 O GLY X 71 70.969 -8.384 0.047 1.00 0.00 O ATOM 0 HA2 GLY X 71 68.838 -10.395 -1.145 1.00 0.00 H new ATOM 0 HA3 GLY X 71 69.480 -10.984 0.376 1.00 0.00 H new ATOM 1032 N PRO X 72 68.734 -8.292 0.403 1.00 0.00 N ATOM 1033 CA PRO X 72 68.692 -6.903 0.860 1.00 0.00 C ATOM 1034 C PRO X 72 69.611 -6.620 2.043 1.00 0.00 C ATOM 1035 O PRO X 72 70.202 -5.561 2.138 1.00 0.00 O ATOM 1036 CB PRO X 72 67.230 -6.682 1.235 1.00 0.00 C ATOM 1037 CG PRO X 72 66.649 -8.044 1.357 1.00 0.00 C ATOM 1038 CD PRO X 72 67.404 -8.895 0.395 1.00 0.00 C ATOM 0 HA PRO X 72 69.050 -6.226 0.084 1.00 0.00 H new ATOM 0 HB2 PRO X 72 67.143 -6.131 2.172 1.00 0.00 H new ATOM 0 HB3 PRO X 72 66.712 -6.100 0.473 1.00 0.00 H new ATOM 0 HG2 PRO X 72 66.748 -8.422 2.375 1.00 0.00 H new ATOM 0 HG3 PRO X 72 65.585 -8.038 1.122 1.00 0.00 H new ATOM 0 HD2 PRO X 72 67.431 -9.938 0.712 1.00 0.00 H new ATOM 0 HD3 PRO X 72 66.957 -8.876 -0.599 1.00 0.00 H new ATOM 1046 N GLU X 73 69.753 -7.578 2.903 1.00 0.00 N ATOM 1047 CA GLU X 73 70.593 -7.455 4.069 1.00 0.00 C ATOM 1048 C GLU X 73 72.061 -7.736 3.750 1.00 0.00 C ATOM 1049 O GLU X 73 72.907 -7.745 4.636 1.00 0.00 O ATOM 1050 CB GLU X 73 70.066 -8.320 5.186 1.00 0.00 C ATOM 1051 CG GLU X 73 68.638 -7.979 5.544 1.00 0.00 C ATOM 1052 CD GLU X 73 68.079 -8.831 6.630 1.00 0.00 C ATOM 1053 OE1 GLU X 73 68.512 -8.701 7.804 1.00 0.00 O ATOM 1054 OE2 GLU X 73 67.167 -9.629 6.346 1.00 0.00 O ATOM 0 H GLU X 73 69.287 -8.481 2.821 1.00 0.00 H new ATOM 0 HA GLU X 73 70.558 -6.420 4.408 1.00 0.00 H new ATOM 0 HB2 GLU X 73 70.125 -9.368 4.891 1.00 0.00 H new ATOM 0 HB3 GLU X 73 70.698 -8.200 6.066 1.00 0.00 H new ATOM 0 HG2 GLU X 73 68.588 -6.934 5.850 1.00 0.00 H new ATOM 0 HG3 GLU X 73 68.015 -8.081 4.656 1.00 0.00 H new ATOM 1061 N GLY X 74 72.363 -7.996 2.515 1.00 0.00 N ATOM 1062 CA GLY X 74 73.746 -8.103 2.175 1.00 0.00 C ATOM 1063 C GLY X 74 74.258 -6.874 1.481 1.00 0.00 C ATOM 1064 O GLY X 74 75.441 -6.538 1.590 1.00 0.00 O ATOM 0 H GLY X 74 71.699 -8.133 1.753 1.00 0.00 H new ATOM 0 HA2 GLY X 74 74.328 -8.276 3.080 1.00 0.00 H new ATOM 0 HA3 GLY X 74 73.894 -8.970 1.531 1.00 0.00 H new ATOM 1068 N ILE X 75 73.374 -6.176 0.794 1.00 0.00 N ATOM 1069 CA ILE X 75 73.735 -4.910 0.127 1.00 0.00 C ATOM 1070 C ILE X 75 74.072 -3.896 1.176 1.00 0.00 C ATOM 1071 O ILE X 75 74.914 -3.039 0.993 1.00 0.00 O ATOM 1072 CB ILE X 75 72.576 -4.286 -0.647 1.00 0.00 C ATOM 1073 CG1 ILE X 75 71.392 -5.224 -0.735 1.00 0.00 C ATOM 1074 CG2 ILE X 75 73.045 -3.846 -2.022 1.00 0.00 C ATOM 1075 CD1 ILE X 75 70.161 -4.554 -1.223 1.00 0.00 C ATOM 0 H ILE X 75 72.399 -6.452 0.675 1.00 0.00 H new ATOM 0 HA ILE X 75 74.553 -5.150 -0.552 1.00 0.00 H new ATOM 0 HB ILE X 75 72.236 -3.405 -0.102 1.00 0.00 H new ATOM 0 HG12 ILE X 75 71.638 -6.051 -1.401 1.00 0.00 H new ATOM 0 HG13 ILE X 75 71.201 -5.653 0.249 1.00 0.00 H new ATOM 0 HG21 ILE X 75 72.211 -3.402 -2.566 1.00 0.00 H new ATOM 0 HG22 ILE X 75 73.842 -3.110 -1.916 1.00 0.00 H new ATOM 0 HG23 ILE X 75 73.419 -4.709 -2.572 1.00 0.00 H new ATOM 0 HD11 ILE X 75 69.346 -5.276 -1.265 1.00 0.00 H new ATOM 0 HD12 ILE X 75 69.894 -3.744 -0.544 1.00 0.00 H new ATOM 0 HD13 ILE X 75 70.338 -4.148 -2.219 1.00 0.00 H new ATOM 1087 N VAL X 76 73.381 -4.002 2.274 1.00 0.00 N ATOM 1088 CA VAL X 76 73.526 -3.139 3.359 1.00 0.00 C ATOM 1089 C VAL X 76 74.913 -3.248 3.995 1.00 0.00 C ATOM 1090 O VAL X 76 75.474 -2.262 4.468 1.00 0.00 O ATOM 1091 CB VAL X 76 72.436 -3.404 4.360 1.00 0.00 C ATOM 1092 CG1 VAL X 76 71.070 -3.114 3.784 1.00 0.00 C ATOM 1093 CG2 VAL X 76 72.504 -4.781 4.939 1.00 0.00 C ATOM 0 H VAL X 76 72.680 -4.728 2.421 1.00 0.00 H new ATOM 0 HA VAL X 76 73.434 -2.114 3.000 1.00 0.00 H new ATOM 0 HB VAL X 76 72.603 -2.712 5.186 1.00 0.00 H new ATOM 0 HG11 VAL X 76 70.307 -3.317 4.536 1.00 0.00 H new ATOM 0 HG12 VAL X 76 71.016 -2.067 3.486 1.00 0.00 H new ATOM 0 HG13 VAL X 76 70.900 -3.748 2.914 1.00 0.00 H new ATOM 0 HG21 VAL X 76 71.693 -4.915 5.655 1.00 0.00 H new ATOM 0 HG22 VAL X 76 72.409 -5.517 4.140 1.00 0.00 H new ATOM 0 HG23 VAL X 76 73.460 -4.916 5.444 1.00 0.00 H new ATOM 1103 N LYS X 77 75.441 -4.447 3.990 1.00 0.00 N ATOM 1104 CA LYS X 77 76.780 -4.717 4.436 1.00 0.00 C ATOM 1105 C LYS X 77 77.766 -4.009 3.500 1.00 0.00 C ATOM 1106 O LYS X 77 78.686 -3.348 3.953 1.00 0.00 O ATOM 1107 CB LYS X 77 77.019 -6.222 4.438 1.00 0.00 C ATOM 1108 CG LYS X 77 78.370 -6.647 4.971 1.00 0.00 C ATOM 1109 CD LYS X 77 78.574 -8.146 4.832 1.00 0.00 C ATOM 1110 CE LYS X 77 77.579 -8.952 5.658 1.00 0.00 C ATOM 1111 NZ LYS X 77 77.878 -10.397 5.625 1.00 0.00 N ATOM 0 H LYS X 77 74.941 -5.276 3.669 1.00 0.00 H new ATOM 0 HA LYS X 77 76.925 -4.345 5.450 1.00 0.00 H new ATOM 0 HB2 LYS X 77 76.242 -6.699 5.035 1.00 0.00 H new ATOM 0 HB3 LYS X 77 76.912 -6.595 3.419 1.00 0.00 H new ATOM 0 HG2 LYS X 77 79.158 -6.120 4.433 1.00 0.00 H new ATOM 0 HG3 LYS X 77 78.455 -6.362 6.020 1.00 0.00 H new ATOM 0 HD2 LYS X 77 78.480 -8.426 3.783 1.00 0.00 H new ATOM 0 HD3 LYS X 77 79.588 -8.401 5.141 1.00 0.00 H new ATOM 0 HE2 LYS X 77 77.596 -8.601 6.690 1.00 0.00 H new ATOM 0 HE3 LYS X 77 76.571 -8.781 5.280 1.00 0.00 H new ATOM 0 HZ1 LYS X 77 77.178 -10.909 6.199 1.00 0.00 H new ATOM 0 HZ2 LYS X 77 77.837 -10.738 4.643 1.00 0.00 H new ATOM 0 HZ3 LYS X 77 78.830 -10.563 6.010 1.00 0.00 H new ATOM 1125 N GLU X 78 77.497 -4.105 2.194 1.00 0.00 N ATOM 1126 CA GLU X 78 78.297 -3.437 1.147 1.00 0.00 C ATOM 1127 C GLU X 78 78.307 -1.932 1.410 1.00 0.00 C ATOM 1128 O GLU X 78 79.349 -1.271 1.385 1.00 0.00 O ATOM 1129 CB GLU X 78 77.622 -3.706 -0.221 1.00 0.00 C ATOM 1130 CG GLU X 78 77.683 -5.149 -0.708 1.00 0.00 C ATOM 1131 CD GLU X 78 79.055 -5.554 -1.173 1.00 0.00 C ATOM 1132 OE1 GLU X 78 79.938 -5.804 -0.341 1.00 0.00 O ATOM 1133 OE2 GLU X 78 79.282 -5.605 -2.399 1.00 0.00 O ATOM 0 H GLU X 78 76.717 -4.649 1.826 1.00 0.00 H new ATOM 0 HA GLU X 78 79.319 -3.815 1.149 1.00 0.00 H new ATOM 0 HB2 GLU X 78 76.576 -3.406 -0.156 1.00 0.00 H new ATOM 0 HB3 GLU X 78 78.091 -3.068 -0.970 1.00 0.00 H new ATOM 0 HG2 GLU X 78 77.368 -5.812 0.097 1.00 0.00 H new ATOM 0 HG3 GLU X 78 76.974 -5.281 -1.526 1.00 0.00 H new ATOM 1140 N ILE X 79 77.136 -1.437 1.709 1.00 0.00 N ATOM 1141 CA ILE X 79 76.920 -0.052 2.051 1.00 0.00 C ATOM 1142 C ILE X 79 77.670 0.371 3.327 1.00 0.00 C ATOM 1143 O ILE X 79 78.363 1.396 3.327 1.00 0.00 O ATOM 1144 CB ILE X 79 75.384 0.254 2.187 1.00 0.00 C ATOM 1145 CG1 ILE X 79 74.692 0.251 0.819 1.00 0.00 C ATOM 1146 CG2 ILE X 79 75.119 1.564 2.901 1.00 0.00 C ATOM 1147 CD1 ILE X 79 75.192 1.335 -0.117 1.00 0.00 C ATOM 0 H ILE X 79 76.284 -1.997 1.723 1.00 0.00 H new ATOM 0 HA ILE X 79 77.330 0.540 1.233 1.00 0.00 H new ATOM 0 HB ILE X 79 74.964 -0.547 2.796 1.00 0.00 H new ATOM 0 HG12 ILE X 79 74.841 -0.721 0.348 1.00 0.00 H new ATOM 0 HG13 ILE X 79 73.619 0.374 0.964 1.00 0.00 H new ATOM 0 HG21 ILE X 79 74.044 1.730 2.970 1.00 0.00 H new ATOM 0 HG22 ILE X 79 75.545 1.525 3.904 1.00 0.00 H new ATOM 0 HG23 ILE X 79 75.577 2.381 2.344 1.00 0.00 H new ATOM 0 HD11 ILE X 79 74.658 1.272 -1.065 1.00 0.00 H new ATOM 0 HD12 ILE X 79 75.019 2.313 0.333 1.00 0.00 H new ATOM 0 HD13 ILE X 79 76.259 1.200 -0.292 1.00 0.00 H new ATOM 1159 N LYS X 80 77.590 -0.429 4.384 1.00 0.00 N ATOM 1160 CA LYS X 80 78.183 -0.036 5.656 1.00 0.00 C ATOM 1161 C LYS X 80 79.702 0.017 5.576 1.00 0.00 C ATOM 1162 O LYS X 80 80.336 0.909 6.159 1.00 0.00 O ATOM 1163 CB LYS X 80 77.694 -0.900 6.847 1.00 0.00 C ATOM 1164 CG LYS X 80 78.300 -2.289 6.991 1.00 0.00 C ATOM 1165 CD LYS X 80 77.656 -3.036 8.161 1.00 0.00 C ATOM 1166 CE LYS X 80 78.398 -4.323 8.509 1.00 0.00 C ATOM 1167 NZ LYS X 80 79.733 -4.059 9.107 1.00 0.00 N ATOM 0 H LYS X 80 77.129 -1.339 4.387 1.00 0.00 H new ATOM 0 HA LYS X 80 77.831 0.976 5.857 1.00 0.00 H new ATOM 0 HB2 LYS X 80 77.889 -0.349 7.767 1.00 0.00 H new ATOM 0 HB3 LYS X 80 76.613 -1.010 6.764 1.00 0.00 H new ATOM 0 HG2 LYS X 80 78.156 -2.852 6.069 1.00 0.00 H new ATOM 0 HG3 LYS X 80 79.375 -2.208 7.151 1.00 0.00 H new ATOM 0 HD2 LYS X 80 77.633 -2.385 9.035 1.00 0.00 H new ATOM 0 HD3 LYS X 80 76.621 -3.272 7.912 1.00 0.00 H new ATOM 0 HE2 LYS X 80 77.799 -4.908 9.207 1.00 0.00 H new ATOM 0 HE3 LYS X 80 78.518 -4.926 7.609 1.00 0.00 H new ATOM 0 HZ1 LYS X 80 80.127 -4.946 9.481 1.00 0.00 H new ATOM 0 HZ2 LYS X 80 80.370 -3.676 8.379 1.00 0.00 H new ATOM 0 HZ3 LYS X 80 79.637 -3.370 9.880 1.00 0.00 H new ATOM 1181 N GLU X 81 80.275 -0.891 4.811 1.00 0.00 N ATOM 1182 CA GLU X 81 81.711 -0.962 4.670 1.00 0.00 C ATOM 1183 C GLU X 81 82.244 0.236 3.895 1.00 0.00 C ATOM 1184 O GLU X 81 83.364 0.710 4.144 1.00 0.00 O ATOM 1185 CB GLU X 81 82.132 -2.269 4.000 1.00 0.00 C ATOM 1186 CG GLU X 81 81.613 -3.496 4.719 1.00 0.00 C ATOM 1187 CD GLU X 81 82.121 -4.793 4.147 1.00 0.00 C ATOM 1188 OE1 GLU X 81 81.875 -5.078 2.959 1.00 0.00 O ATOM 1189 OE2 GLU X 81 82.795 -5.544 4.893 1.00 0.00 O ATOM 0 H GLU X 81 79.763 -1.592 4.276 1.00 0.00 H new ATOM 0 HA GLU X 81 82.145 -0.939 5.670 1.00 0.00 H new ATOM 0 HB2 GLU X 81 81.770 -2.277 2.972 1.00 0.00 H new ATOM 0 HB3 GLU X 81 83.220 -2.314 3.955 1.00 0.00 H new ATOM 0 HG2 GLU X 81 81.896 -3.437 5.770 1.00 0.00 H new ATOM 0 HG3 GLU X 81 80.524 -3.495 4.682 1.00 0.00 H new ATOM 1196 N TRP X 82 81.450 0.731 2.974 1.00 0.00 N ATOM 1197 CA TRP X 82 81.852 1.830 2.134 1.00 0.00 C ATOM 1198 C TRP X 82 81.946 3.150 2.914 1.00 0.00 C ATOM 1199 O TRP X 82 82.977 3.834 2.836 1.00 0.00 O ATOM 1200 CB TRP X 82 80.904 1.958 0.957 1.00 0.00 C ATOM 1201 CG TRP X 82 81.293 3.010 -0.034 1.00 0.00 C ATOM 1202 CD1 TRP X 82 82.206 2.889 -1.036 1.00 0.00 C ATOM 1203 CD2 TRP X 82 80.756 4.331 -0.135 1.00 0.00 C ATOM 1204 NE1 TRP X 82 82.267 4.053 -1.753 1.00 0.00 N ATOM 1205 CE2 TRP X 82 81.389 4.952 -1.222 1.00 0.00 C ATOM 1206 CE3 TRP X 82 79.800 5.042 0.590 1.00 0.00 C ATOM 1207 CZ2 TRP X 82 81.096 6.250 -1.607 1.00 0.00 C ATOM 1208 CZ3 TRP X 82 79.511 6.328 0.211 1.00 0.00 C ATOM 1209 CH2 TRP X 82 80.155 6.921 -0.882 1.00 0.00 C ATOM 0 H TRP X 82 80.510 0.383 2.788 1.00 0.00 H new ATOM 0 HA TRP X 82 82.853 1.615 1.760 1.00 0.00 H new ATOM 0 HB2 TRP X 82 80.846 0.997 0.446 1.00 0.00 H new ATOM 0 HB3 TRP X 82 79.905 2.180 1.332 1.00 0.00 H new ATOM 0 HD1 TRP X 82 82.795 2.006 -1.236 1.00 0.00 H new ATOM 0 HE1 TRP X 82 82.872 4.222 -2.556 1.00 0.00 H new ATOM 0 HE3 TRP X 82 79.298 4.589 1.432 1.00 0.00 H new ATOM 0 HZ2 TRP X 82 81.593 6.712 -2.447 1.00 0.00 H new ATOM 0 HZ3 TRP X 82 78.775 6.892 0.764 1.00 0.00 H new ATOM 0 HH2 TRP X 82 79.901 7.934 -1.158 1.00 0.00 H new ATOM 1220 N ARG X 83 80.911 3.500 3.713 1.00 0.00 N ATOM 1221 CA ARG X 83 80.988 4.780 4.456 1.00 0.00 C ATOM 1222 C ARG X 83 82.088 4.732 5.479 1.00 0.00 C ATOM 1223 O ARG X 83 82.784 5.714 5.674 1.00 0.00 O ATOM 1224 CB ARG X 83 79.706 5.241 5.189 1.00 0.00 C ATOM 1225 CG ARG X 83 78.466 5.497 4.373 1.00 0.00 C ATOM 1226 CD ARG X 83 77.683 4.232 4.192 1.00 0.00 C ATOM 1227 NE ARG X 83 77.496 3.533 5.490 1.00 0.00 N ATOM 1228 CZ ARG X 83 76.349 3.165 6.019 1.00 0.00 C ATOM 1229 NH1 ARG X 83 75.213 3.495 5.438 1.00 0.00 N ATOM 1230 NH2 ARG X 83 76.341 2.503 7.169 1.00 0.00 N ATOM 0 H ARG X 83 80.062 2.953 3.856 1.00 0.00 H new ATOM 0 HA ARG X 83 81.169 5.506 3.663 1.00 0.00 H new ATOM 0 HB2 ARG X 83 79.461 4.486 5.936 1.00 0.00 H new ATOM 0 HB3 ARG X 83 79.944 6.158 5.728 1.00 0.00 H new ATOM 0 HG2 ARG X 83 77.847 6.246 4.867 1.00 0.00 H new ATOM 0 HG3 ARG X 83 78.742 5.903 3.400 1.00 0.00 H new ATOM 0 HD2 ARG X 83 76.711 4.461 3.754 1.00 0.00 H new ATOM 0 HD3 ARG X 83 78.201 3.576 3.493 1.00 0.00 H new ATOM 0 HE ARG X 83 78.339 3.318 6.023 1.00 0.00 H new ATOM 0 HH11 ARG X 83 75.221 4.038 4.575 1.00 0.00 H new ATOM 0 HH12 ARG X 83 74.326 3.207 5.852 1.00 0.00 H new ATOM 0 HH21 ARG X 83 77.220 2.283 7.637 1.00 0.00 H new ATOM 0 HH22 ARG X 83 75.456 2.214 7.585 1.00 0.00 H new ATOM 1244 N ALA X 84 82.259 3.573 6.098 1.00 0.00 N ATOM 1245 CA ALA X 84 83.241 3.395 7.156 1.00 0.00 C ATOM 1246 C ALA X 84 84.663 3.628 6.650 1.00 0.00 C ATOM 1247 O ALA X 84 85.485 4.234 7.339 1.00 0.00 O ATOM 1248 CB ALA X 84 83.107 2.014 7.776 1.00 0.00 C ATOM 0 H ALA X 84 81.723 2.733 5.882 1.00 0.00 H new ATOM 0 HA ALA X 84 83.043 4.143 7.924 1.00 0.00 H new ATOM 0 HB1 ALA X 84 83.849 1.896 8.566 1.00 0.00 H new ATOM 0 HB2 ALA X 84 82.108 1.899 8.196 1.00 0.00 H new ATOM 0 HB3 ALA X 84 83.268 1.255 7.011 1.00 0.00 H new ATOM 1254 N ALA X 85 84.939 3.179 5.443 1.00 0.00 N ATOM 1255 CA ALA X 85 86.253 3.354 4.852 1.00 0.00 C ATOM 1256 C ALA X 85 86.444 4.785 4.383 1.00 0.00 C ATOM 1257 O ALA X 85 87.477 5.404 4.642 1.00 0.00 O ATOM 1258 CB ALA X 85 86.450 2.396 3.693 1.00 0.00 C ATOM 0 H ALA X 85 84.270 2.689 4.849 1.00 0.00 H new ATOM 0 HA ALA X 85 86.999 3.135 5.616 1.00 0.00 H new ATOM 0 HB1 ALA X 85 87.441 2.543 3.264 1.00 0.00 H new ATOM 0 HB2 ALA X 85 86.358 1.370 4.049 1.00 0.00 H new ATOM 0 HB3 ALA X 85 85.693 2.585 2.932 1.00 0.00 H new ATOM 1264 N ASN X 86 85.433 5.322 3.720 1.00 0.00 N ATOM 1265 CA ASN X 86 85.515 6.673 3.160 1.00 0.00 C ATOM 1266 C ASN X 86 85.529 7.726 4.282 1.00 0.00 C ATOM 1267 O ASN X 86 86.214 8.751 4.190 1.00 0.00 O ATOM 1268 CB ASN X 86 84.347 6.915 2.165 1.00 0.00 C ATOM 1269 CG ASN X 86 84.493 8.181 1.313 1.00 0.00 C ATOM 1270 OD1 ASN X 86 84.988 9.208 1.752 1.00 0.00 O ATOM 1271 ND2 ASN X 86 84.093 8.093 0.073 1.00 0.00 N ATOM 0 H ASN X 86 84.545 4.849 3.553 1.00 0.00 H new ATOM 0 HA ASN X 86 86.450 6.769 2.609 1.00 0.00 H new ATOM 0 HB2 ASN X 86 84.266 6.053 1.503 1.00 0.00 H new ATOM 0 HB3 ASN X 86 83.414 6.975 2.726 1.00 0.00 H new ATOM 0 HD21 ASN X 86 84.191 8.893 -0.552 1.00 0.00 H new ATOM 0 HD22 ASN X 86 83.683 7.224 -0.270 1.00 0.00 H new ATOM 1278 N GLY X 87 84.824 7.445 5.352 1.00 0.00 N ATOM 1279 CA GLY X 87 84.747 8.371 6.459 1.00 0.00 C ATOM 1280 C GLY X 87 83.467 9.160 6.409 1.00 0.00 C ATOM 1281 O GLY X 87 83.406 10.320 6.836 1.00 0.00 O ATOM 0 H GLY X 87 84.295 6.582 5.481 1.00 0.00 H new ATOM 0 HA2 GLY X 87 84.806 7.825 7.400 1.00 0.00 H new ATOM 0 HA3 GLY X 87 85.599 9.050 6.431 1.00 0.00 H new ATOM 1285 N LYS X 88 82.450 8.532 5.881 1.00 0.00 N ATOM 1286 CA LYS X 88 81.179 9.104 5.702 1.00 0.00 C ATOM 1287 C LYS X 88 80.222 8.576 6.772 1.00 0.00 C ATOM 1288 O LYS X 88 80.534 7.566 7.424 1.00 0.00 O ATOM 1289 CB LYS X 88 80.713 8.735 4.309 1.00 0.00 C ATOM 1290 CG LYS X 88 81.345 9.554 3.197 1.00 0.00 C ATOM 1291 CD LYS X 88 80.838 9.119 1.839 1.00 0.00 C ATOM 1292 CE LYS X 88 81.393 9.982 0.709 1.00 0.00 C ATOM 1293 NZ LYS X 88 81.027 11.414 0.828 1.00 0.00 N ATOM 0 H LYS X 88 82.507 7.567 5.556 1.00 0.00 H new ATOM 0 HA LYS X 88 81.210 10.189 5.803 1.00 0.00 H new ATOM 0 HB2 LYS X 88 80.929 7.681 4.135 1.00 0.00 H new ATOM 0 HB3 LYS X 88 79.630 8.851 4.259 1.00 0.00 H new ATOM 0 HG2 LYS X 88 81.123 10.610 3.349 1.00 0.00 H new ATOM 0 HG3 LYS X 88 82.429 9.447 3.234 1.00 0.00 H new ATOM 0 HD2 LYS X 88 81.113 8.078 1.667 1.00 0.00 H new ATOM 0 HD3 LYS X 88 79.749 9.166 1.828 1.00 0.00 H new ATOM 0 HE2 LYS X 88 82.479 9.892 0.693 1.00 0.00 H new ATOM 0 HE3 LYS X 88 81.028 9.599 -0.244 1.00 0.00 H new ATOM 0 HZ1 LYS X 88 81.270 11.909 -0.054 1.00 0.00 H new ATOM 0 HZ2 LYS X 88 80.005 11.498 1.002 1.00 0.00 H new ATOM 0 HZ3 LYS X 88 81.549 11.841 1.620 1.00 0.00 H new ATOM 1307 N PRO X 89 79.068 9.243 6.989 1.00 0.00 N ATOM 1308 CA PRO X 89 78.093 8.840 8.012 1.00 0.00 C ATOM 1309 C PRO X 89 77.503 7.455 7.763 1.00 0.00 C ATOM 1310 O PRO X 89 77.057 7.138 6.650 1.00 0.00 O ATOM 1311 CB PRO X 89 77.002 9.916 7.930 1.00 0.00 C ATOM 1312 CG PRO X 89 77.652 11.061 7.239 1.00 0.00 C ATOM 1313 CD PRO X 89 78.615 10.454 6.277 1.00 0.00 C ATOM 0 HA PRO X 89 78.560 8.767 8.994 1.00 0.00 H new ATOM 0 HB2 PRO X 89 76.135 9.559 7.375 1.00 0.00 H new ATOM 0 HB3 PRO X 89 76.651 10.200 8.922 1.00 0.00 H new ATOM 0 HG2 PRO X 89 76.916 11.676 6.721 1.00 0.00 H new ATOM 0 HG3 PRO X 89 78.164 11.709 7.950 1.00 0.00 H new ATOM 0 HD2 PRO X 89 78.139 10.211 5.327 1.00 0.00 H new ATOM 0 HD3 PRO X 89 79.444 11.127 6.055 1.00 0.00 H new ATOM 1321 N GLY X 90 77.507 6.642 8.793 1.00 0.00 N ATOM 1322 CA GLY X 90 76.978 5.319 8.687 1.00 0.00 C ATOM 1323 C GLY X 90 75.593 5.229 9.272 1.00 0.00 C ATOM 1324 O GLY X 90 74.856 6.218 9.286 1.00 0.00 O ATOM 0 H GLY X 90 77.874 6.882 9.714 1.00 0.00 H new ATOM 0 HA2 GLY X 90 76.952 5.020 7.639 1.00 0.00 H new ATOM 0 HA3 GLY X 90 77.637 4.620 9.202 1.00 0.00 H new ATOM 1328 N PHE X 91 75.239 4.065 9.779 1.00 0.00 N ATOM 1329 CA PHE X 91 73.915 3.875 10.355 1.00 0.00 C ATOM 1330 C PHE X 91 73.950 4.326 11.797 1.00 0.00 C ATOM 1331 O PHE X 91 75.005 4.244 12.446 1.00 0.00 O ATOM 1332 CB PHE X 91 73.488 2.394 10.340 1.00 0.00 C ATOM 1333 CG PHE X 91 73.556 1.689 9.020 1.00 0.00 C ATOM 1334 CD1 PHE X 91 72.920 2.192 7.913 1.00 0.00 C ATOM 1335 CD2 PHE X 91 74.249 0.492 8.904 1.00 0.00 C ATOM 1336 CE1 PHE X 91 72.979 1.527 6.710 1.00 0.00 C ATOM 1337 CE2 PHE X 91 74.309 -0.178 7.702 1.00 0.00 C ATOM 1338 CZ PHE X 91 73.675 0.340 6.601 1.00 0.00 C ATOM 0 H PHE X 91 75.840 3.241 9.806 1.00 0.00 H new ATOM 0 HA PHE X 91 73.206 4.451 9.761 1.00 0.00 H new ATOM 0 HB2 PHE X 91 74.114 1.852 11.048 1.00 0.00 H new ATOM 0 HB3 PHE X 91 72.464 2.331 10.707 1.00 0.00 H new ATOM 0 HD1 PHE X 91 72.369 3.118 7.987 1.00 0.00 H new ATOM 0 HD2 PHE X 91 74.748 0.080 9.769 1.00 0.00 H new ATOM 0 HE1 PHE X 91 72.478 1.936 5.845 1.00 0.00 H new ATOM 0 HE2 PHE X 91 74.853 -1.108 7.626 1.00 0.00 H new ATOM 0 HZ PHE X 91 73.720 -0.178 5.654 1.00 0.00 H new ATOM 1348 N LYS X 92 72.840 4.804 12.305 1.00 0.00 N ATOM 1349 CA LYS X 92 72.757 5.155 13.666 1.00 0.00 C ATOM 1350 C LYS X 92 72.597 3.897 14.483 1.00 0.00 C ATOM 1351 O LYS X 92 72.285 2.821 13.954 1.00 0.00 O ATOM 1352 CB LYS X 92 71.573 6.069 13.931 1.00 0.00 C ATOM 1353 CG LYS X 92 70.196 5.438 13.750 1.00 0.00 C ATOM 1354 CD LYS X 92 69.084 6.313 14.336 1.00 0.00 C ATOM 1355 CE LYS X 92 69.130 6.368 15.861 1.00 0.00 C ATOM 1356 NZ LYS X 92 68.070 7.238 16.417 1.00 0.00 N ATOM 0 H LYS X 92 71.982 4.953 11.773 1.00 0.00 H new ATOM 0 HA LYS X 92 73.668 5.686 13.942 1.00 0.00 H new ATOM 0 HB2 LYS X 92 71.649 6.445 14.951 1.00 0.00 H new ATOM 0 HB3 LYS X 92 71.647 6.931 13.268 1.00 0.00 H new ATOM 0 HG2 LYS X 92 70.008 5.275 12.689 1.00 0.00 H new ATOM 0 HG3 LYS X 92 70.179 4.460 14.230 1.00 0.00 H new ATOM 0 HD2 LYS X 92 69.171 7.323 13.936 1.00 0.00 H new ATOM 0 HD3 LYS X 92 68.116 5.927 14.018 1.00 0.00 H new ATOM 0 HE2 LYS X 92 69.021 5.361 16.263 1.00 0.00 H new ATOM 0 HE3 LYS X 92 70.105 6.735 16.181 1.00 0.00 H new ATOM 0 HZ1 LYS X 92 68.137 7.247 17.455 1.00 0.00 H new ATOM 0 HZ2 LYS X 92 68.189 8.205 16.054 1.00 0.00 H new ATOM 0 HZ3 LYS X 92 67.138 6.874 16.134 1.00 0.00 H new ATOM 1370 N GLN X 93 72.803 4.025 15.735 1.00 0.00 N ATOM 1371 CA GLN X 93 72.658 2.948 16.634 1.00 0.00 C ATOM 1372 C GLN X 93 71.242 2.978 17.164 1.00 0.00 C ATOM 1373 O GLN X 93 70.741 4.044 17.535 1.00 0.00 O ATOM 1374 CB GLN X 93 73.635 3.123 17.770 1.00 0.00 C ATOM 1375 CG GLN X 93 75.133 2.857 17.464 1.00 0.00 C ATOM 1376 CD GLN X 93 75.725 3.694 16.334 1.00 0.00 C ATOM 1377 OE1 GLN X 93 76.210 4.809 16.548 1.00 0.00 O ATOM 1378 NE2 GLN X 93 75.743 3.148 15.149 1.00 0.00 N ATOM 0 H GLN X 93 73.084 4.901 16.175 1.00 0.00 H new ATOM 0 HA GLN X 93 72.855 1.996 16.141 1.00 0.00 H new ATOM 0 HB2 GLN X 93 73.542 4.144 18.141 1.00 0.00 H new ATOM 0 HB3 GLN X 93 73.333 2.460 18.581 1.00 0.00 H new ATOM 0 HG2 GLN X 93 75.710 3.040 18.370 1.00 0.00 H new ATOM 0 HG3 GLN X 93 75.255 1.803 17.216 1.00 0.00 H new ATOM 0 HE21 GLN X 93 75.333 2.225 15.007 1.00 0.00 H new ATOM 0 HE22 GLN X 93 76.167 3.644 14.365 1.00 0.00 H new ATOM 1387 N GLY X 94 70.606 1.861 17.170 1.00 0.00 N ATOM 1388 CA GLY X 94 69.256 1.787 17.645 1.00 0.00 C ATOM 1389 C GLY X 94 68.939 0.410 18.127 1.00 0.00 C ATOM 1390 O GLY X 94 67.755 0.002 18.110 1.00 0.00 O ATOM 1391 OXT GLY X 94 69.881 -0.316 18.506 1.00 0.00 O ATOM 0 H GLY X 94 70.996 0.975 16.850 1.00 0.00 H new ATOM 0 HA2 GLY X 94 69.110 2.503 18.454 1.00 0.00 H new ATOM 0 HA3 GLY X 94 68.569 2.065 16.846 1.00 0.00 H new