USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=15 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 -171:sc= 0.781 USER MOD Set 1.2: X 40 HIS : no HE2:sc= 0.928 K(o=1.7,f=-3.3) USER MOD Set 2.1: X 5 ASN : amide:sc= 0.726 K(o=1.5,f=-0.12) USER MOD Set 2.2: X 6 SER OG : rot -78:sc= 0.819 USER MOD Single : X 4 LYS NZ :NH3+ -161:sc= 1.24 (180deg=0.14) USER MOD Single : X 8 SER OG : rot 180:sc= 0 USER MOD Single : X 11 THR OG1 : rot 180:sc= 0.724 USER MOD Single : X 17 GLN : amide:sc= -0.612 X(o=-0.61,f=-0.21) USER MOD Single : X 20 LYS NZ :NH3+ 151:sc= 1.12 (180deg=0.0186) USER MOD Single : X 24 LYS NZ :NH3+ 158:sc= -0.169 (180deg=-0.677) USER MOD Single : X 26 ASN : amide:sc=-0.00873 X(o=-0.0087,f=0.46) USER MOD Single : X 30 THR OG1 : rot 161:sc= -0.756! USER MOD Single : X 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 45 THR OG1 : rot -95:sc= 0.751 USER MOD Single : X 47 HIS : no HD1:sc= -2.91 X(o=-2.9,f=-3.1) USER MOD Single : X 51 THR OG1 : rot 93:sc= 0.0183 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+ 162:sc= 1.27 (180deg=0.899) USER MOD Single : X 86 ASN : amide:sc= -2.77 K(o=-2.8,f=-5.7!) USER MOD Single : X 88 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.111) USER MOD Single : X 92 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.12) USER MOD Single : X 93 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 16 N LEU X 3 60.884 5.583 6.841 1.00 0.00 N ATOM 17 CA LEU X 3 61.728 6.394 5.976 1.00 0.00 C ATOM 18 C LEU X 3 62.331 7.540 6.762 1.00 0.00 C ATOM 19 O LEU X 3 61.655 8.163 7.592 1.00 0.00 O ATOM 20 CB LEU X 3 60.917 6.973 4.801 1.00 0.00 C ATOM 21 CG LEU X 3 60.377 5.971 3.790 1.00 0.00 C ATOM 22 CD1 LEU X 3 59.581 6.672 2.697 1.00 0.00 C ATOM 23 CD2 LEU X 3 61.519 5.208 3.189 1.00 0.00 C ATOM 0 HA LEU X 3 62.518 5.753 5.585 1.00 0.00 H new ATOM 0 HB2 LEU X 3 60.076 7.532 5.210 1.00 0.00 H new ATOM 0 HB3 LEU X 3 61.547 7.687 4.271 1.00 0.00 H new ATOM 0 HG LEU X 3 59.706 5.282 4.303 1.00 0.00 H new ATOM 0 HD11 LEU X 3 59.207 5.933 1.988 1.00 0.00 H new ATOM 0 HD12 LEU X 3 58.741 7.205 3.143 1.00 0.00 H new ATOM 0 HD13 LEU X 3 60.225 7.381 2.176 1.00 0.00 H new ATOM 0 HD21 LEU X 3 61.135 4.490 2.465 1.00 0.00 H new ATOM 0 HD22 LEU X 3 62.196 5.901 2.689 1.00 0.00 H new ATOM 0 HD23 LEU X 3 62.057 4.678 3.975 1.00 0.00 H new ATOM 35 N LYS X 4 63.595 7.788 6.556 1.00 0.00 N ATOM 36 CA LYS X 4 64.274 8.906 7.184 1.00 0.00 C ATOM 37 C LYS X 4 64.619 9.908 6.078 1.00 0.00 C ATOM 38 O LYS X 4 64.124 9.777 4.969 1.00 0.00 O ATOM 39 CB LYS X 4 65.580 8.451 7.881 1.00 0.00 C ATOM 40 CG LYS X 4 65.529 7.150 8.690 1.00 0.00 C ATOM 41 CD LYS X 4 64.272 6.992 9.471 1.00 0.00 C ATOM 42 CE LYS X 4 64.436 5.956 10.565 1.00 0.00 C ATOM 43 NZ LYS X 4 63.147 5.496 11.110 1.00 0.00 N ATOM 0 H LYS X 4 64.191 7.225 5.949 1.00 0.00 H new ATOM 0 HA LYS X 4 63.628 9.347 7.943 1.00 0.00 H new ATOM 0 HB2 LYS X 4 66.350 8.343 7.117 1.00 0.00 H new ATOM 0 HB3 LYS X 4 65.902 9.250 8.548 1.00 0.00 H new ATOM 0 HG2 LYS X 4 65.636 6.304 8.011 1.00 0.00 H new ATOM 0 HG3 LYS X 4 66.379 7.121 9.372 1.00 0.00 H new ATOM 0 HD2 LYS X 4 63.991 7.949 9.911 1.00 0.00 H new ATOM 0 HD3 LYS X 4 63.461 6.697 8.805 1.00 0.00 H new ATOM 0 HE2 LYS X 4 64.985 5.101 10.171 1.00 0.00 H new ATOM 0 HE3 LYS X 4 65.037 6.377 11.371 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 63.301 5.054 12.039 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 62.505 6.307 11.214 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 62.724 4.801 10.462 1.00 0.00 H new ATOM 57 N ASN X 5 65.418 10.912 6.370 1.00 0.00 N ATOM 58 CA ASN X 5 65.875 11.827 5.305 1.00 0.00 C ATOM 59 C ASN X 5 67.333 11.587 5.001 1.00 0.00 C ATOM 60 O ASN X 5 67.803 11.792 3.876 1.00 0.00 O ATOM 61 CB ASN X 5 65.652 13.317 5.631 1.00 0.00 C ATOM 62 CG ASN X 5 66.268 13.774 6.938 1.00 0.00 C ATOM 63 OD1 ASN X 5 67.466 14.091 7.015 1.00 0.00 O ATOM 64 ND2 ASN X 5 65.454 13.875 7.952 1.00 0.00 N ATOM 0 H ASN X 5 65.766 11.126 7.305 1.00 0.00 H new ATOM 0 HA ASN X 5 65.263 11.603 4.431 1.00 0.00 H new ATOM 0 HB2 ASN X 5 66.063 13.919 4.820 1.00 0.00 H new ATOM 0 HB3 ASN X 5 64.580 13.513 5.661 1.00 0.00 H new ATOM 0 HD21 ASN X 5 65.796 14.225 8.847 1.00 0.00 H new ATOM 0 HD22 ASN X 5 64.476 13.604 7.850 1.00 0.00 H new ATOM 71 N SER X 6 68.044 11.149 5.995 1.00 0.00 N ATOM 72 CA SER X 6 69.429 10.848 5.861 1.00 0.00 C ATOM 73 C SER X 6 69.735 9.481 6.462 1.00 0.00 C ATOM 74 O SER X 6 68.942 8.951 7.254 1.00 0.00 O ATOM 75 CB SER X 6 70.258 11.970 6.485 1.00 0.00 C ATOM 76 OG SER X 6 69.689 12.403 7.719 1.00 0.00 O ATOM 0 H SER X 6 67.671 10.990 6.931 1.00 0.00 H new ATOM 0 HA SER X 6 69.699 10.791 4.807 1.00 0.00 H new ATOM 0 HB2 SER X 6 71.278 11.623 6.653 1.00 0.00 H new ATOM 0 HB3 SER X 6 70.317 12.810 5.793 1.00 0.00 H new ATOM 0 HG SER X 6 68.923 12.987 7.539 1.00 0.00 H new ATOM 82 N ILE X 7 70.892 8.928 6.115 1.00 0.00 N ATOM 83 CA ILE X 7 71.298 7.583 6.542 1.00 0.00 C ATOM 84 C ILE X 7 71.599 7.560 8.050 1.00 0.00 C ATOM 85 O ILE X 7 71.624 6.519 8.678 1.00 0.00 O ATOM 86 CB ILE X 7 72.554 7.105 5.730 1.00 0.00 C ATOM 87 CG1 ILE X 7 72.802 5.596 5.910 1.00 0.00 C ATOM 88 CG2 ILE X 7 73.804 7.902 6.129 1.00 0.00 C ATOM 89 CD1 ILE X 7 73.959 5.061 5.088 1.00 0.00 C ATOM 0 H ILE X 7 71.581 9.397 5.527 1.00 0.00 H new ATOM 0 HA ILE X 7 70.473 6.899 6.344 1.00 0.00 H new ATOM 0 HB ILE X 7 72.347 7.289 4.676 1.00 0.00 H new ATOM 0 HG12 ILE X 7 72.993 5.392 6.964 1.00 0.00 H new ATOM 0 HG13 ILE X 7 71.896 5.054 5.640 1.00 0.00 H new ATOM 0 HG21 ILE X 7 74.659 7.551 5.552 1.00 0.00 H new ATOM 0 HG22 ILE X 7 73.640 8.961 5.927 1.00 0.00 H new ATOM 0 HG23 ILE X 7 74.001 7.761 7.192 1.00 0.00 H new ATOM 0 HD11 ILE X 7 74.070 3.992 5.269 1.00 0.00 H new ATOM 0 HD12 ILE X 7 73.763 5.231 4.029 1.00 0.00 H new ATOM 0 HD13 ILE X 7 74.877 5.575 5.374 1.00 0.00 H new ATOM 101 N SER X 8 71.716 8.738 8.619 1.00 0.00 N ATOM 102 CA SER X 8 72.108 8.909 9.982 1.00 0.00 C ATOM 103 C SER X 8 70.993 8.506 10.943 1.00 0.00 C ATOM 104 O SER X 8 71.252 8.178 12.090 1.00 0.00 O ATOM 105 CB SER X 8 72.508 10.351 10.167 1.00 0.00 C ATOM 106 OG SER X 8 73.402 10.712 9.126 1.00 0.00 O ATOM 0 H SER X 8 71.536 9.615 8.130 1.00 0.00 H new ATOM 0 HA SER X 8 72.951 8.257 10.212 1.00 0.00 H new ATOM 0 HB2 SER X 8 71.627 10.993 10.148 1.00 0.00 H new ATOM 0 HB3 SER X 8 72.983 10.490 11.138 1.00 0.00 H new ATOM 0 HG SER X 8 73.669 11.649 9.234 1.00 0.00 H new ATOM 112 N ASP X 9 69.755 8.507 10.468 1.00 0.00 N ATOM 113 CA ASP X 9 68.659 8.077 11.321 1.00 0.00 C ATOM 114 C ASP X 9 68.292 6.657 10.966 1.00 0.00 C ATOM 115 O ASP X 9 67.389 6.052 11.539 1.00 0.00 O ATOM 116 CB ASP X 9 67.431 8.970 11.190 1.00 0.00 C ATOM 117 CG ASP X 9 66.448 8.768 12.332 1.00 0.00 C ATOM 118 OD1 ASP X 9 66.891 8.728 13.505 1.00 0.00 O ATOM 119 OD2 ASP X 9 65.221 8.644 12.088 1.00 0.00 O ATOM 0 H ASP X 9 69.490 8.792 9.525 1.00 0.00 H new ATOM 0 HA ASP X 9 68.995 8.145 12.356 1.00 0.00 H new ATOM 0 HB2 ASP X 9 67.744 10.014 11.163 1.00 0.00 H new ATOM 0 HB3 ASP X 9 66.933 8.762 10.243 1.00 0.00 H new ATOM 124 N TYR X 10 69.039 6.102 10.062 1.00 0.00 N ATOM 125 CA TYR X 10 68.769 4.791 9.584 1.00 0.00 C ATOM 126 C TYR X 10 69.532 3.814 10.375 1.00 0.00 C ATOM 127 O TYR X 10 70.759 3.840 10.396 1.00 0.00 O ATOM 128 CB TYR X 10 69.078 4.606 8.076 1.00 0.00 C ATOM 129 CG TYR X 10 67.903 4.860 7.148 1.00 0.00 C ATOM 130 CD1 TYR X 10 66.894 3.917 7.032 1.00 0.00 C ATOM 131 CD2 TYR X 10 67.796 6.022 6.393 1.00 0.00 C ATOM 132 CE1 TYR X 10 65.808 4.117 6.210 1.00 0.00 C ATOM 133 CE2 TYR X 10 66.710 6.230 5.554 1.00 0.00 C ATOM 134 CZ TYR X 10 65.721 5.272 5.473 1.00 0.00 C ATOM 135 OH TYR X 10 64.622 5.489 4.688 1.00 0.00 O ATOM 0 H TYR X 10 69.852 6.549 9.638 1.00 0.00 H new ATOM 0 HA TYR X 10 67.698 4.627 9.700 1.00 0.00 H new ATOM 0 HB2 TYR X 10 69.891 5.278 7.801 1.00 0.00 H new ATOM 0 HB3 TYR X 10 69.436 3.589 7.915 1.00 0.00 H new ATOM 0 HD1 TYR X 10 66.961 3.002 7.601 1.00 0.00 H new ATOM 0 HD2 TYR X 10 68.569 6.774 6.460 1.00 0.00 H new ATOM 0 HE1 TYR X 10 65.030 3.371 6.145 1.00 0.00 H new ATOM 0 HE2 TYR X 10 66.640 7.135 4.969 1.00 0.00 H new ATOM 0 HH TYR X 10 64.773 6.276 4.124 1.00 0.00 H new ATOM 145 N THR X 11 68.830 2.995 11.081 1.00 0.00 N ATOM 146 CA THR X 11 69.447 1.910 11.726 1.00 0.00 C ATOM 147 C THR X 11 69.691 0.923 10.619 1.00 0.00 C ATOM 148 O THR X 11 69.027 1.024 9.558 1.00 0.00 O ATOM 149 CB THR X 11 68.512 1.291 12.779 1.00 0.00 C ATOM 150 OG1 THR X 11 67.351 0.765 12.147 1.00 0.00 O ATOM 151 CG2 THR X 11 68.074 2.328 13.779 1.00 0.00 C ATOM 0 H THR X 11 67.822 3.065 11.221 1.00 0.00 H new ATOM 0 HA THR X 11 70.356 2.205 12.251 1.00 0.00 H new ATOM 0 HB THR X 11 69.060 0.499 13.289 1.00 0.00 H new ATOM 0 HG1 THR X 11 66.761 0.371 12.823 1.00 0.00 H new ATOM 0 HG21 THR X 11 67.414 1.868 14.514 1.00 0.00 H new ATOM 0 HG22 THR X 11 68.948 2.739 14.284 1.00 0.00 H new ATOM 0 HG23 THR X 11 67.543 3.128 13.264 1.00 0.00 H new ATOM 159 N GLU X 12 70.595 0.001 10.784 1.00 0.00 N ATOM 160 CA GLU X 12 70.817 -0.932 9.718 1.00 0.00 C ATOM 161 C GLU X 12 69.571 -1.744 9.405 1.00 0.00 C ATOM 162 O GLU X 12 69.292 -1.993 8.263 1.00 0.00 O ATOM 163 CB GLU X 12 72.047 -1.794 9.908 1.00 0.00 C ATOM 164 CG GLU X 12 72.185 -2.436 11.260 1.00 0.00 C ATOM 165 CD GLU X 12 73.300 -3.426 11.258 1.00 0.00 C ATOM 166 OE1 GLU X 12 74.484 -3.021 11.199 1.00 0.00 O ATOM 167 OE2 GLU X 12 73.036 -4.636 11.264 1.00 0.00 O ATOM 0 H GLU X 12 71.172 -0.124 11.616 1.00 0.00 H new ATOM 0 HA GLU X 12 71.033 -0.329 8.836 1.00 0.00 H new ATOM 0 HB2 GLU X 12 72.040 -2.579 9.152 1.00 0.00 H new ATOM 0 HB3 GLU X 12 72.930 -1.182 9.724 1.00 0.00 H new ATOM 0 HG2 GLU X 12 72.371 -1.672 12.014 1.00 0.00 H new ATOM 0 HG3 GLU X 12 71.252 -2.931 11.531 1.00 0.00 H new ATOM 174 N ALA X 13 68.787 -2.073 10.414 1.00 0.00 N ATOM 175 CA ALA X 13 67.549 -2.799 10.189 1.00 0.00 C ATOM 176 C ALA X 13 66.481 -1.915 9.492 1.00 0.00 C ATOM 177 O ALA X 13 65.738 -2.406 8.635 1.00 0.00 O ATOM 178 CB ALA X 13 67.034 -3.424 11.462 1.00 0.00 C ATOM 0 H ALA X 13 68.982 -1.852 11.390 1.00 0.00 H new ATOM 0 HA ALA X 13 67.770 -3.617 9.503 1.00 0.00 H new ATOM 0 HB1 ALA X 13 66.107 -3.959 11.256 1.00 0.00 H new ATOM 0 HB2 ALA X 13 67.776 -4.121 11.851 1.00 0.00 H new ATOM 0 HB3 ALA X 13 66.846 -2.644 12.200 1.00 0.00 H new ATOM 184 N GLU X 14 66.397 -0.622 9.858 1.00 0.00 N ATOM 185 CA GLU X 14 65.514 0.331 9.142 1.00 0.00 C ATOM 186 C GLU X 14 65.903 0.373 7.694 1.00 0.00 C ATOM 187 O GLU X 14 65.061 0.381 6.786 1.00 0.00 O ATOM 188 CB GLU X 14 65.626 1.753 9.720 1.00 0.00 C ATOM 189 CG GLU X 14 64.658 2.056 10.832 1.00 0.00 C ATOM 190 CD GLU X 14 63.242 2.098 10.326 1.00 0.00 C ATOM 191 OE1 GLU X 14 62.801 3.163 9.833 1.00 0.00 O ATOM 192 OE2 GLU X 14 62.544 1.078 10.394 1.00 0.00 O ATOM 0 H GLU X 14 66.919 -0.213 10.633 1.00 0.00 H new ATOM 0 HA GLU X 14 64.486 -0.012 9.261 1.00 0.00 H new ATOM 0 HB2 GLU X 14 66.641 1.902 10.089 1.00 0.00 H new ATOM 0 HB3 GLU X 14 65.471 2.471 8.915 1.00 0.00 H new ATOM 0 HG2 GLU X 14 64.746 1.298 11.611 1.00 0.00 H new ATOM 0 HG3 GLU X 14 64.912 3.013 11.288 1.00 0.00 H new ATOM 199 N PHE X 15 67.176 0.364 7.493 1.00 0.00 N ATOM 200 CA PHE X 15 67.744 0.418 6.205 1.00 0.00 C ATOM 201 C PHE X 15 67.469 -0.894 5.452 1.00 0.00 C ATOM 202 O PHE X 15 67.036 -0.861 4.309 1.00 0.00 O ATOM 203 CB PHE X 15 69.228 0.710 6.346 1.00 0.00 C ATOM 204 CG PHE X 15 69.909 1.108 5.098 1.00 0.00 C ATOM 205 CD1 PHE X 15 69.739 2.374 4.579 1.00 0.00 C ATOM 206 CD2 PHE X 15 70.736 0.235 4.455 1.00 0.00 C ATOM 207 CE1 PHE X 15 70.388 2.748 3.433 1.00 0.00 C ATOM 208 CE2 PHE X 15 71.395 0.602 3.309 1.00 0.00 C ATOM 209 CZ PHE X 15 71.218 1.858 2.802 1.00 0.00 C ATOM 0 H PHE X 15 67.863 0.317 8.246 1.00 0.00 H new ATOM 0 HA PHE X 15 67.293 1.216 5.615 1.00 0.00 H new ATOM 0 HB2 PHE X 15 69.358 1.504 7.082 1.00 0.00 H new ATOM 0 HB3 PHE X 15 69.721 -0.177 6.744 1.00 0.00 H new ATOM 0 HD1 PHE X 15 69.089 3.076 5.080 1.00 0.00 H new ATOM 0 HD2 PHE X 15 70.874 -0.759 4.853 1.00 0.00 H new ATOM 0 HE1 PHE X 15 70.247 3.739 3.028 1.00 0.00 H new ATOM 0 HE2 PHE X 15 72.050 -0.098 2.811 1.00 0.00 H new ATOM 0 HZ PHE X 15 71.734 2.151 1.900 1.00 0.00 H new ATOM 219 N VAL X 16 67.659 -2.051 6.122 1.00 0.00 N ATOM 220 CA VAL X 16 67.409 -3.343 5.476 1.00 0.00 C ATOM 221 C VAL X 16 65.945 -3.482 5.062 1.00 0.00 C ATOM 222 O VAL X 16 65.673 -3.970 3.990 1.00 0.00 O ATOM 223 CB VAL X 16 67.852 -4.632 6.300 1.00 0.00 C ATOM 224 CG1 VAL X 16 69.266 -4.598 6.811 1.00 0.00 C ATOM 225 CG2 VAL X 16 66.868 -5.075 7.364 1.00 0.00 C ATOM 0 H VAL X 16 67.978 -2.111 7.089 1.00 0.00 H new ATOM 0 HA VAL X 16 68.058 -3.319 4.601 1.00 0.00 H new ATOM 0 HB VAL X 16 67.833 -5.413 5.540 1.00 0.00 H new ATOM 0 HG11 VAL X 16 69.477 -5.516 7.359 1.00 0.00 H new ATOM 0 HG12 VAL X 16 69.955 -4.511 5.971 1.00 0.00 H new ATOM 0 HG13 VAL X 16 69.393 -3.742 7.474 1.00 0.00 H new ATOM 0 HG21 VAL X 16 67.255 -5.959 7.872 1.00 0.00 H new ATOM 0 HG22 VAL X 16 66.729 -4.272 8.088 1.00 0.00 H new ATOM 0 HG23 VAL X 16 65.912 -5.313 6.899 1.00 0.00 H new ATOM 235 N GLN X 17 65.008 -2.995 5.895 1.00 0.00 N ATOM 236 CA GLN X 17 63.580 -3.136 5.591 1.00 0.00 C ATOM 237 C GLN X 17 63.187 -2.310 4.417 1.00 0.00 C ATOM 238 O GLN X 17 62.398 -2.725 3.579 1.00 0.00 O ATOM 239 CB GLN X 17 62.687 -2.922 6.837 1.00 0.00 C ATOM 240 CG GLN X 17 62.628 -1.537 7.548 1.00 0.00 C ATOM 241 CD GLN X 17 61.755 -0.467 6.882 1.00 0.00 C ATOM 242 OE1 GLN X 17 60.553 -0.416 7.105 1.00 0.00 O ATOM 243 NE2 GLN X 17 62.355 0.489 6.229 1.00 0.00 N ATOM 0 H GLN X 17 65.212 -2.509 6.768 1.00 0.00 H new ATOM 0 HA GLN X 17 63.406 -4.171 5.298 1.00 0.00 H new ATOM 0 HB2 GLN X 17 61.667 -3.177 6.548 1.00 0.00 H new ATOM 0 HB3 GLN X 17 62.999 -3.652 7.584 1.00 0.00 H new ATOM 0 HG2 GLN X 17 62.266 -1.690 8.565 1.00 0.00 H new ATOM 0 HG3 GLN X 17 63.644 -1.149 7.626 1.00 0.00 H new ATOM 0 HE21 GLN X 17 63.358 0.433 6.050 1.00 0.00 H new ATOM 0 HE22 GLN X 17 61.822 1.293 5.897 1.00 0.00 H new ATOM 252 N LEU X 18 63.791 -1.182 4.341 1.00 0.00 N ATOM 253 CA LEU X 18 63.582 -0.269 3.237 1.00 0.00 C ATOM 254 C LEU X 18 64.134 -0.896 1.979 1.00 0.00 C ATOM 255 O LEU X 18 63.480 -0.936 0.947 1.00 0.00 O ATOM 256 CB LEU X 18 64.205 1.121 3.562 1.00 0.00 C ATOM 257 CG LEU X 18 63.988 2.270 2.552 1.00 0.00 C ATOM 258 CD1 LEU X 18 64.972 2.215 1.401 1.00 0.00 C ATOM 259 CD2 LEU X 18 62.568 2.241 2.020 1.00 0.00 C ATOM 0 H LEU X 18 64.454 -0.847 5.040 1.00 0.00 H new ATOM 0 HA LEU X 18 62.519 -0.090 3.076 1.00 0.00 H new ATOM 0 HB2 LEU X 18 63.812 1.445 4.526 1.00 0.00 H new ATOM 0 HB3 LEU X 18 65.279 0.984 3.686 1.00 0.00 H new ATOM 0 HG LEU X 18 64.159 3.205 3.086 1.00 0.00 H new ATOM 0 HD11 LEU X 18 64.780 3.042 0.718 1.00 0.00 H new ATOM 0 HD12 LEU X 18 65.988 2.292 1.787 1.00 0.00 H new ATOM 0 HD13 LEU X 18 64.857 1.271 0.869 1.00 0.00 H new ATOM 0 HD21 LEU X 18 62.429 3.056 1.310 1.00 0.00 H new ATOM 0 HD22 LEU X 18 62.386 1.289 1.521 1.00 0.00 H new ATOM 0 HD23 LEU X 18 61.867 2.357 2.847 1.00 0.00 H new ATOM 271 N LEU X 19 65.311 -1.421 2.103 1.00 0.00 N ATOM 272 CA LEU X 19 65.980 -2.118 1.024 1.00 0.00 C ATOM 273 C LEU X 19 65.208 -3.325 0.527 1.00 0.00 C ATOM 274 O LEU X 19 65.169 -3.589 -0.677 1.00 0.00 O ATOM 275 CB LEU X 19 67.384 -2.473 1.416 1.00 0.00 C ATOM 276 CG LEU X 19 68.442 -1.456 1.002 1.00 0.00 C ATOM 277 CD1 LEU X 19 68.097 -0.064 1.457 1.00 0.00 C ATOM 278 CD2 LEU X 19 69.739 -1.840 1.570 1.00 0.00 C ATOM 0 H LEU X 19 65.853 -1.383 2.966 1.00 0.00 H new ATOM 0 HA LEU X 19 66.024 -1.431 0.179 1.00 0.00 H new ATOM 0 HB2 LEU X 19 67.423 -2.597 2.498 1.00 0.00 H new ATOM 0 HB3 LEU X 19 67.636 -3.438 0.976 1.00 0.00 H new ATOM 0 HG LEU X 19 68.486 -1.452 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU X 19 68.878 0.627 1.140 1.00 0.00 H new ATOM 0 HD12 LEU X 19 67.146 0.237 1.017 1.00 0.00 H new ATOM 0 HD13 LEU X 19 68.016 -0.046 2.544 1.00 0.00 H new ATOM 0 HD21 LEU X 19 70.495 -1.113 1.274 1.00 0.00 H new ATOM 0 HD22 LEU X 19 69.667 -1.866 2.657 1.00 0.00 H new ATOM 0 HD23 LEU X 19 70.020 -2.826 1.201 1.00 0.00 H new ATOM 290 N LYS X 20 64.564 -4.032 1.440 1.00 0.00 N ATOM 291 CA LYS X 20 63.727 -5.167 1.082 1.00 0.00 C ATOM 292 C LYS X 20 62.559 -4.701 0.219 1.00 0.00 C ATOM 293 O LYS X 20 62.106 -5.408 -0.695 1.00 0.00 O ATOM 294 CB LYS X 20 63.199 -5.881 2.324 1.00 0.00 C ATOM 295 CG LYS X 20 64.278 -6.475 3.183 1.00 0.00 C ATOM 296 CD LYS X 20 63.694 -7.258 4.349 1.00 0.00 C ATOM 297 CE LYS X 20 64.772 -8.007 5.117 1.00 0.00 C ATOM 298 NZ LYS X 20 65.269 -9.204 4.386 1.00 0.00 N ATOM 0 H LYS X 20 64.605 -3.839 2.441 1.00 0.00 H new ATOM 0 HA LYS X 20 64.339 -5.872 0.519 1.00 0.00 H new ATOM 0 HB2 LYS X 20 62.620 -5.175 2.920 1.00 0.00 H new ATOM 0 HB3 LYS X 20 62.516 -6.672 2.015 1.00 0.00 H new ATOM 0 HG2 LYS X 20 64.905 -7.132 2.580 1.00 0.00 H new ATOM 0 HG3 LYS X 20 64.921 -5.681 3.562 1.00 0.00 H new ATOM 0 HD2 LYS X 20 63.174 -6.576 5.022 1.00 0.00 H new ATOM 0 HD3 LYS X 20 62.953 -7.966 3.978 1.00 0.00 H new ATOM 0 HE2 LYS X 20 65.606 -7.334 5.314 1.00 0.00 H new ATOM 0 HE3 LYS X 20 64.376 -8.315 6.084 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 66.258 -9.387 4.651 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 64.686 -10.029 4.633 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 65.211 -9.034 3.362 1.00 0.00 H new ATOM 312 N GLU X 21 62.069 -3.520 0.523 1.00 0.00 N ATOM 313 CA GLU X 21 61.009 -2.916 -0.242 1.00 0.00 C ATOM 314 C GLU X 21 61.505 -2.514 -1.618 1.00 0.00 C ATOM 315 O GLU X 21 60.762 -2.598 -2.601 1.00 0.00 O ATOM 316 CB GLU X 21 60.411 -1.717 0.497 1.00 0.00 C ATOM 317 CG GLU X 21 59.687 -2.090 1.772 1.00 0.00 C ATOM 318 CD GLU X 21 58.602 -3.107 1.530 1.00 0.00 C ATOM 319 OE1 GLU X 21 57.552 -2.752 0.983 1.00 0.00 O ATOM 320 OE2 GLU X 21 58.784 -4.286 1.890 1.00 0.00 O ATOM 0 H GLU X 21 62.396 -2.955 1.307 1.00 0.00 H new ATOM 0 HA GLU X 21 60.218 -3.656 -0.368 1.00 0.00 H new ATOM 0 HB2 GLU X 21 61.208 -1.013 0.735 1.00 0.00 H new ATOM 0 HB3 GLU X 21 59.718 -1.201 -0.167 1.00 0.00 H new ATOM 0 HG2 GLU X 21 60.402 -2.488 2.492 1.00 0.00 H new ATOM 0 HG3 GLU X 21 59.252 -1.195 2.217 1.00 0.00 H new ATOM 327 N ILE X 22 62.769 -2.113 -1.695 1.00 0.00 N ATOM 328 CA ILE X 22 63.352 -1.713 -2.962 1.00 0.00 C ATOM 329 C ILE X 22 63.460 -2.911 -3.865 1.00 0.00 C ATOM 330 O ILE X 22 63.150 -2.826 -5.041 1.00 0.00 O ATOM 331 CB ILE X 22 64.748 -1.073 -2.842 1.00 0.00 C ATOM 332 CG1 ILE X 22 64.802 -0.077 -1.699 1.00 0.00 C ATOM 333 CG2 ILE X 22 65.054 -0.353 -4.139 1.00 0.00 C ATOM 334 CD1 ILE X 22 66.134 0.642 -1.581 1.00 0.00 C ATOM 0 H ILE X 22 63.403 -2.058 -0.898 1.00 0.00 H new ATOM 0 HA ILE X 22 62.685 -0.953 -3.368 1.00 0.00 H new ATOM 0 HB ILE X 22 65.479 -1.857 -2.644 1.00 0.00 H new ATOM 0 HG12 ILE X 22 64.011 0.661 -1.834 1.00 0.00 H new ATOM 0 HG13 ILE X 22 64.596 -0.598 -0.764 1.00 0.00 H new ATOM 0 HG21 ILE X 22 66.040 0.108 -4.075 1.00 0.00 H new ATOM 0 HG22 ILE X 22 65.040 -1.066 -4.963 1.00 0.00 H new ATOM 0 HG23 ILE X 22 64.303 0.418 -4.313 1.00 0.00 H new ATOM 0 HD11 ILE X 22 66.099 1.338 -0.743 1.00 0.00 H new ATOM 0 HD12 ILE X 22 66.927 -0.087 -1.415 1.00 0.00 H new ATOM 0 HD13 ILE X 22 66.333 1.192 -2.501 1.00 0.00 H new ATOM 346 N GLU X 23 63.854 -4.045 -3.287 1.00 0.00 N ATOM 347 CA GLU X 23 63.972 -5.297 -4.031 1.00 0.00 C ATOM 348 C GLU X 23 62.650 -5.636 -4.654 1.00 0.00 C ATOM 349 O GLU X 23 62.564 -5.927 -5.835 1.00 0.00 O ATOM 350 CB GLU X 23 64.324 -6.445 -3.107 1.00 0.00 C ATOM 351 CG GLU X 23 65.688 -6.403 -2.466 1.00 0.00 C ATOM 352 CD GLU X 23 65.929 -7.666 -1.670 1.00 0.00 C ATOM 353 OE1 GLU X 23 65.324 -7.827 -0.591 1.00 0.00 O ATOM 354 OE2 GLU X 23 66.668 -8.547 -2.142 1.00 0.00 O ATOM 0 H GLU X 23 64.098 -4.122 -2.300 1.00 0.00 H new ATOM 0 HA GLU X 23 64.750 -5.162 -4.782 1.00 0.00 H new ATOM 0 HB2 GLU X 23 63.577 -6.486 -2.315 1.00 0.00 H new ATOM 0 HB3 GLU X 23 64.241 -7.374 -3.671 1.00 0.00 H new ATOM 0 HG2 GLU X 23 66.455 -6.296 -3.233 1.00 0.00 H new ATOM 0 HG3 GLU X 23 65.765 -5.533 -1.814 1.00 0.00 H new ATOM 361 N LYS X 24 61.625 -5.528 -3.854 1.00 0.00 N ATOM 362 CA LYS X 24 60.288 -5.869 -4.242 1.00 0.00 C ATOM 363 C LYS X 24 59.800 -5.019 -5.428 1.00 0.00 C ATOM 364 O LYS X 24 59.199 -5.538 -6.375 1.00 0.00 O ATOM 365 CB LYS X 24 59.380 -5.727 -3.030 1.00 0.00 C ATOM 366 CG LYS X 24 57.954 -6.134 -3.287 1.00 0.00 C ATOM 367 CD LYS X 24 57.107 -6.072 -2.038 1.00 0.00 C ATOM 368 CE LYS X 24 55.712 -6.606 -2.311 1.00 0.00 C ATOM 369 NZ LYS X 24 55.746 -8.003 -2.817 1.00 0.00 N ATOM 0 H LYS X 24 61.700 -5.193 -2.894 1.00 0.00 H new ATOM 0 HA LYS X 24 60.266 -6.902 -4.589 1.00 0.00 H new ATOM 0 HB2 LYS X 24 59.779 -6.332 -2.216 1.00 0.00 H new ATOM 0 HB3 LYS X 24 59.397 -4.690 -2.695 1.00 0.00 H new ATOM 0 HG2 LYS X 24 57.524 -5.483 -4.048 1.00 0.00 H new ATOM 0 HG3 LYS X 24 57.934 -7.148 -3.687 1.00 0.00 H new ATOM 0 HD2 LYS X 24 57.576 -6.654 -1.245 1.00 0.00 H new ATOM 0 HD3 LYS X 24 57.046 -5.043 -1.685 1.00 0.00 H new ATOM 0 HE2 LYS X 24 55.121 -6.565 -1.396 1.00 0.00 H new ATOM 0 HE3 LYS X 24 55.214 -5.967 -3.040 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 54.827 -8.458 -2.643 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 55.942 -7.998 -3.838 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 56.493 -8.533 -2.324 1.00 0.00 H new ATOM 383 N GLU X 25 60.080 -3.734 -5.396 1.00 0.00 N ATOM 384 CA GLU X 25 59.694 -2.853 -6.470 1.00 0.00 C ATOM 385 C GLU X 25 60.623 -3.002 -7.680 1.00 0.00 C ATOM 386 O GLU X 25 60.207 -2.815 -8.815 1.00 0.00 O ATOM 387 CB GLU X 25 59.649 -1.408 -5.983 1.00 0.00 C ATOM 388 CG GLU X 25 58.564 -1.150 -4.952 1.00 0.00 C ATOM 389 CD GLU X 25 57.187 -1.447 -5.500 1.00 0.00 C ATOM 390 OE1 GLU X 25 56.625 -0.599 -6.223 1.00 0.00 O ATOM 391 OE2 GLU X 25 56.647 -2.539 -5.231 1.00 0.00 O ATOM 0 H GLU X 25 60.577 -3.277 -4.632 1.00 0.00 H new ATOM 0 HA GLU X 25 58.693 -3.136 -6.796 1.00 0.00 H new ATOM 0 HB2 GLU X 25 60.616 -1.147 -5.554 1.00 0.00 H new ATOM 0 HB3 GLU X 25 59.491 -0.750 -6.837 1.00 0.00 H new ATOM 0 HG2 GLU X 25 58.745 -1.766 -4.071 1.00 0.00 H new ATOM 0 HG3 GLU X 25 58.610 -0.110 -4.628 1.00 0.00 H new ATOM 398 N ASN X 26 61.864 -3.368 -7.427 1.00 0.00 N ATOM 399 CA ASN X 26 62.865 -3.526 -8.485 1.00 0.00 C ATOM 400 C ASN X 26 62.637 -4.809 -9.268 1.00 0.00 C ATOM 401 O ASN X 26 62.634 -4.799 -10.491 1.00 0.00 O ATOM 402 CB ASN X 26 64.293 -3.502 -7.898 1.00 0.00 C ATOM 403 CG ASN X 26 65.388 -3.589 -8.953 1.00 0.00 C ATOM 404 OD1 ASN X 26 65.831 -2.579 -9.480 1.00 0.00 O ATOM 405 ND2 ASN X 26 65.853 -4.786 -9.236 1.00 0.00 N ATOM 0 H ASN X 26 62.214 -3.565 -6.490 1.00 0.00 H new ATOM 0 HA ASN X 26 62.758 -2.685 -9.170 1.00 0.00 H new ATOM 0 HB2 ASN X 26 64.425 -2.585 -7.324 1.00 0.00 H new ATOM 0 HB3 ASN X 26 64.404 -4.333 -7.201 1.00 0.00 H new ATOM 0 HD21 ASN X 26 66.607 -4.893 -9.914 1.00 0.00 H new ATOM 0 HD22 ASN X 26 65.460 -5.608 -8.777 1.00 0.00 H new ATOM 412 N VAL X 27 62.412 -5.900 -8.556 1.00 0.00 N ATOM 413 CA VAL X 27 62.193 -7.207 -9.172 1.00 0.00 C ATOM 414 C VAL X 27 60.876 -7.225 -9.969 1.00 0.00 C ATOM 415 O VAL X 27 60.796 -7.824 -11.038 1.00 0.00 O ATOM 416 CB VAL X 27 62.235 -8.355 -8.104 1.00 0.00 C ATOM 417 CG1 VAL X 27 61.894 -9.709 -8.708 1.00 0.00 C ATOM 418 CG2 VAL X 27 63.612 -8.422 -7.457 1.00 0.00 C ATOM 0 H VAL X 27 62.375 -5.910 -7.537 1.00 0.00 H new ATOM 0 HA VAL X 27 63.007 -7.388 -9.873 1.00 0.00 H new ATOM 0 HB VAL X 27 61.482 -8.122 -7.351 1.00 0.00 H new ATOM 0 HG11 VAL X 27 61.935 -10.474 -7.933 1.00 0.00 H new ATOM 0 HG12 VAL X 27 60.890 -9.676 -9.132 1.00 0.00 H new ATOM 0 HG13 VAL X 27 62.612 -9.949 -9.493 1.00 0.00 H new ATOM 0 HG21 VAL X 27 63.628 -9.223 -6.718 1.00 0.00 H new ATOM 0 HG22 VAL X 27 64.364 -8.619 -8.221 1.00 0.00 H new ATOM 0 HG23 VAL X 27 63.831 -7.473 -6.968 1.00 0.00 H new ATOM 428 N ALA X 28 59.871 -6.530 -9.468 1.00 0.00 N ATOM 429 CA ALA X 28 58.585 -6.435 -10.166 1.00 0.00 C ATOM 430 C ALA X 28 58.615 -5.303 -11.199 1.00 0.00 C ATOM 431 O ALA X 28 57.704 -5.171 -12.019 1.00 0.00 O ATOM 432 CB ALA X 28 57.462 -6.207 -9.171 1.00 0.00 C ATOM 0 H ALA X 28 59.912 -6.022 -8.584 1.00 0.00 H new ATOM 0 HA ALA X 28 58.406 -7.375 -10.688 1.00 0.00 H new ATOM 0 HB1 ALA X 28 56.513 -6.138 -9.703 1.00 0.00 H new ATOM 0 HB2 ALA X 28 57.425 -7.039 -8.468 1.00 0.00 H new ATOM 0 HB3 ALA X 28 57.641 -5.280 -8.627 1.00 0.00 H new ATOM 438 N ALA X 29 59.675 -4.506 -11.130 1.00 0.00 N ATOM 439 CA ALA X 29 59.929 -3.354 -11.992 1.00 0.00 C ATOM 440 C ALA X 29 58.775 -2.366 -12.036 1.00 0.00 C ATOM 441 O ALA X 29 58.001 -2.317 -13.009 1.00 0.00 O ATOM 442 CB ALA X 29 60.382 -3.748 -13.390 1.00 0.00 C ATOM 0 H ALA X 29 60.414 -4.650 -10.442 1.00 0.00 H new ATOM 0 HA ALA X 29 60.763 -2.832 -11.522 1.00 0.00 H new ATOM 0 HB1 ALA X 29 60.555 -2.850 -13.983 1.00 0.00 H new ATOM 0 HB2 ALA X 29 61.306 -4.323 -13.325 1.00 0.00 H new ATOM 0 HB3 ALA X 29 59.610 -4.354 -13.865 1.00 0.00 H new ATOM 448 N THR X 30 58.624 -1.621 -10.983 1.00 0.00 N ATOM 449 CA THR X 30 57.604 -0.613 -10.915 1.00 0.00 C ATOM 450 C THR X 30 58.223 0.755 -11.223 1.00 0.00 C ATOM 451 O THR X 30 59.358 0.822 -11.738 1.00 0.00 O ATOM 452 CB THR X 30 56.938 -0.633 -9.533 1.00 0.00 C ATOM 453 OG1 THR X 30 57.925 -0.465 -8.520 1.00 0.00 O ATOM 454 CG2 THR X 30 56.233 -1.954 -9.318 1.00 0.00 C ATOM 0 H THR X 30 59.203 -1.693 -10.146 1.00 0.00 H new ATOM 0 HA THR X 30 56.831 -0.815 -11.657 1.00 0.00 H new ATOM 0 HB THR X 30 56.214 0.180 -9.481 1.00 0.00 H new ATOM 0 HG1 THR X 30 57.495 -0.172 -7.690 1.00 0.00 H new ATOM 0 HG21 THR X 30 55.763 -1.960 -8.335 1.00 0.00 H new ATOM 0 HG22 THR X 30 55.471 -2.089 -10.085 1.00 0.00 H new ATOM 0 HG23 THR X 30 56.957 -2.767 -9.379 1.00 0.00 H new ATOM 462 N ASP X 31 57.524 1.828 -10.946 1.00 0.00 N ATOM 463 CA ASP X 31 58.051 3.147 -11.250 1.00 0.00 C ATOM 464 C ASP X 31 57.988 4.093 -10.084 1.00 0.00 C ATOM 465 O ASP X 31 59.016 4.511 -9.594 1.00 0.00 O ATOM 466 CB ASP X 31 57.384 3.748 -12.483 1.00 0.00 C ATOM 467 CG ASP X 31 57.828 5.181 -12.791 1.00 0.00 C ATOM 468 OD1 ASP X 31 58.866 5.381 -13.459 1.00 0.00 O ATOM 469 OD2 ASP X 31 57.131 6.137 -12.391 1.00 0.00 O ATOM 0 H ASP X 31 56.599 1.822 -10.516 1.00 0.00 H new ATOM 0 HA ASP X 31 59.108 3.002 -11.472 1.00 0.00 H new ATOM 0 HB2 ASP X 31 57.601 3.117 -13.345 1.00 0.00 H new ATOM 0 HB3 ASP X 31 56.303 3.735 -12.342 1.00 0.00 H new ATOM 474 N ASP X 32 56.796 4.381 -9.607 1.00 0.00 N ATOM 475 CA ASP X 32 56.605 5.398 -8.564 1.00 0.00 C ATOM 476 C ASP X 32 57.372 5.162 -7.324 1.00 0.00 C ATOM 477 O ASP X 32 58.095 6.036 -6.876 1.00 0.00 O ATOM 478 CB ASP X 32 55.146 5.685 -8.254 1.00 0.00 C ATOM 479 CG ASP X 32 54.470 6.462 -9.341 1.00 0.00 C ATOM 480 OD1 ASP X 32 54.725 7.674 -9.462 1.00 0.00 O ATOM 481 OD2 ASP X 32 53.671 5.886 -10.099 1.00 0.00 O ATOM 0 H ASP X 32 55.935 3.931 -9.918 1.00 0.00 H new ATOM 0 HA ASP X 32 57.027 6.296 -9.016 1.00 0.00 H new ATOM 0 HB2 ASP X 32 54.618 4.743 -8.103 1.00 0.00 H new ATOM 0 HB3 ASP X 32 55.079 6.241 -7.319 1.00 0.00 H new ATOM 486 N VAL X 33 57.277 4.001 -6.781 1.00 0.00 N ATOM 487 CA VAL X 33 57.951 3.742 -5.568 1.00 0.00 C ATOM 488 C VAL X 33 59.327 3.255 -5.834 1.00 0.00 C ATOM 489 O VAL X 33 60.243 3.562 -5.098 1.00 0.00 O ATOM 490 CB VAL X 33 57.156 2.812 -4.664 1.00 0.00 C ATOM 491 CG1 VAL X 33 57.964 2.393 -3.510 1.00 0.00 C ATOM 492 CG2 VAL X 33 55.999 3.557 -4.162 1.00 0.00 C ATOM 0 H VAL X 33 56.740 3.220 -7.159 1.00 0.00 H new ATOM 0 HA VAL X 33 58.041 4.679 -5.018 1.00 0.00 H new ATOM 0 HB VAL X 33 56.857 1.929 -5.229 1.00 0.00 H new ATOM 0 HG11 VAL X 33 57.376 1.728 -2.876 1.00 0.00 H new ATOM 0 HG12 VAL X 33 58.853 1.869 -3.860 1.00 0.00 H new ATOM 0 HG13 VAL X 33 58.262 3.271 -2.937 1.00 0.00 H new ATOM 0 HG21 VAL X 33 55.408 2.915 -3.509 1.00 0.00 H new ATOM 0 HG22 VAL X 33 56.342 4.427 -3.602 1.00 0.00 H new ATOM 0 HG23 VAL X 33 55.385 3.884 -5.001 1.00 0.00 H new ATOM 502 N LEU X 34 59.483 2.608 -6.952 1.00 0.00 N ATOM 503 CA LEU X 34 60.759 2.105 -7.371 1.00 0.00 C ATOM 504 C LEU X 34 61.724 3.279 -7.465 1.00 0.00 C ATOM 505 O LEU X 34 62.806 3.244 -6.901 1.00 0.00 O ATOM 506 CB LEU X 34 60.569 1.386 -8.717 1.00 0.00 C ATOM 507 CG LEU X 34 61.760 0.670 -9.364 1.00 0.00 C ATOM 508 CD1 LEU X 34 62.552 1.618 -10.220 1.00 0.00 C ATOM 509 CD2 LEU X 34 62.648 0.000 -8.324 1.00 0.00 C ATOM 0 H LEU X 34 58.723 2.413 -7.604 1.00 0.00 H new ATOM 0 HA LEU X 34 61.175 1.388 -6.664 1.00 0.00 H new ATOM 0 HB2 LEU X 34 59.777 0.649 -8.585 1.00 0.00 H new ATOM 0 HB3 LEU X 34 60.203 2.123 -9.432 1.00 0.00 H new ATOM 0 HG LEU X 34 61.362 -0.117 -10.004 1.00 0.00 H new ATOM 0 HD11 LEU X 34 63.392 1.088 -10.669 1.00 0.00 H new ATOM 0 HD12 LEU X 34 61.913 2.018 -11.007 1.00 0.00 H new ATOM 0 HD13 LEU X 34 62.926 2.437 -9.606 1.00 0.00 H new ATOM 0 HD21 LEU X 34 63.481 -0.497 -8.822 1.00 0.00 H new ATOM 0 HD22 LEU X 34 63.033 0.752 -7.636 1.00 0.00 H new ATOM 0 HD23 LEU X 34 62.066 -0.736 -7.769 1.00 0.00 H new ATOM 521 N ASP X 35 61.269 4.349 -8.069 1.00 0.00 N ATOM 522 CA ASP X 35 62.080 5.536 -8.205 1.00 0.00 C ATOM 523 C ASP X 35 62.281 6.242 -6.893 1.00 0.00 C ATOM 524 O ASP X 35 63.332 6.857 -6.681 1.00 0.00 O ATOM 525 CB ASP X 35 61.550 6.480 -9.270 1.00 0.00 C ATOM 526 CG ASP X 35 62.364 7.739 -9.386 1.00 0.00 C ATOM 527 OD1 ASP X 35 63.502 7.674 -9.891 1.00 0.00 O ATOM 528 OD2 ASP X 35 61.877 8.817 -8.959 1.00 0.00 O ATOM 0 H ASP X 35 60.337 4.423 -8.476 1.00 0.00 H new ATOM 0 HA ASP X 35 63.060 5.196 -8.540 1.00 0.00 H new ATOM 0 HB2 ASP X 35 61.541 5.968 -10.232 1.00 0.00 H new ATOM 0 HB3 ASP X 35 60.517 6.740 -9.038 1.00 0.00 H new ATOM 533 N VAL X 36 61.309 6.147 -5.987 1.00 0.00 N ATOM 534 CA VAL X 36 61.507 6.756 -4.685 1.00 0.00 C ATOM 535 C VAL X 36 62.632 6.087 -4.025 1.00 0.00 C ATOM 536 O VAL X 36 63.579 6.706 -3.621 1.00 0.00 O ATOM 537 CB VAL X 36 60.348 6.526 -3.697 1.00 0.00 C ATOM 538 CG1 VAL X 36 60.668 7.165 -2.380 1.00 0.00 C ATOM 539 CG2 VAL X 36 59.088 7.046 -4.182 1.00 0.00 C ATOM 0 H VAL X 36 60.416 5.675 -6.125 1.00 0.00 H new ATOM 0 HA VAL X 36 61.633 7.820 -4.887 1.00 0.00 H new ATOM 0 HB VAL X 36 60.238 5.447 -3.584 1.00 0.00 H new ATOM 0 HG11 VAL X 36 59.845 6.999 -1.685 1.00 0.00 H new ATOM 0 HG12 VAL X 36 61.579 6.726 -1.974 1.00 0.00 H new ATOM 0 HG13 VAL X 36 60.813 8.236 -2.521 1.00 0.00 H new ATOM 0 HG21 VAL X 36 58.308 6.856 -3.445 1.00 0.00 H new ATOM 0 HG22 VAL X 36 59.177 8.120 -4.347 1.00 0.00 H new ATOM 0 HG23 VAL X 36 58.829 6.555 -5.120 1.00 0.00 H new ATOM 549 N LEU X 37 62.549 4.808 -4.033 1.00 0.00 N ATOM 550 CA LEU X 37 63.417 3.998 -3.288 1.00 0.00 C ATOM 551 C LEU X 37 64.800 4.034 -3.799 1.00 0.00 C ATOM 552 O LEU X 37 65.734 4.158 -3.027 1.00 0.00 O ATOM 553 CB LEU X 37 62.917 2.612 -3.271 1.00 0.00 C ATOM 554 CG LEU X 37 61.486 2.416 -2.745 1.00 0.00 C ATOM 555 CD1 LEU X 37 61.070 0.967 -2.807 1.00 0.00 C ATOM 556 CD2 LEU X 37 61.343 2.949 -1.329 1.00 0.00 C ATOM 0 H LEU X 37 61.856 4.290 -4.573 1.00 0.00 H new ATOM 0 HA LEU X 37 63.441 4.394 -2.273 1.00 0.00 H new ATOM 0 HB2 LEU X 37 62.967 2.217 -4.286 1.00 0.00 H new ATOM 0 HB3 LEU X 37 63.592 2.011 -2.661 1.00 0.00 H new ATOM 0 HG LEU X 37 60.822 2.987 -3.394 1.00 0.00 H new ATOM 0 HD11 LEU X 37 60.053 0.864 -2.428 1.00 0.00 H new ATOM 0 HD12 LEU X 37 61.109 0.621 -3.840 1.00 0.00 H new ATOM 0 HD13 LEU X 37 61.747 0.368 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU X 37 60.320 2.796 -0.984 1.00 0.00 H new ATOM 0 HD22 LEU X 37 62.031 2.420 -0.670 1.00 0.00 H new ATOM 0 HD23 LEU X 37 61.575 4.014 -1.316 1.00 0.00 H new ATOM 568 N LEU X 38 64.927 3.960 -5.091 1.00 0.00 N ATOM 569 CA LEU X 38 66.207 3.987 -5.720 1.00 0.00 C ATOM 570 C LEU X 38 66.915 5.285 -5.418 1.00 0.00 C ATOM 571 O LEU X 38 68.074 5.284 -4.986 1.00 0.00 O ATOM 572 CB LEU X 38 66.064 3.754 -7.215 1.00 0.00 C ATOM 573 CG LEU X 38 65.523 2.393 -7.662 1.00 0.00 C ATOM 574 CD1 LEU X 38 65.661 2.257 -9.144 1.00 0.00 C ATOM 575 CD2 LEU X 38 66.210 1.237 -6.963 1.00 0.00 C ATOM 0 H LEU X 38 64.142 3.879 -5.737 1.00 0.00 H new ATOM 0 HA LEU X 38 66.820 3.180 -5.318 1.00 0.00 H new ATOM 0 HB2 LEU X 38 65.408 4.527 -7.616 1.00 0.00 H new ATOM 0 HB3 LEU X 38 67.042 3.896 -7.674 1.00 0.00 H new ATOM 0 HG LEU X 38 64.470 2.352 -7.383 1.00 0.00 H new ATOM 0 HD11 LEU X 38 65.275 1.287 -9.458 1.00 0.00 H new ATOM 0 HD12 LEU X 38 65.096 3.049 -9.636 1.00 0.00 H new ATOM 0 HD13 LEU X 38 66.712 2.336 -9.420 1.00 0.00 H new ATOM 0 HD21 LEU X 38 65.789 0.296 -7.316 1.00 0.00 H new ATOM 0 HD22 LEU X 38 67.277 1.262 -7.182 1.00 0.00 H new ATOM 0 HD23 LEU X 38 66.059 1.321 -5.887 1.00 0.00 H new ATOM 587 N GLU X 39 66.196 6.376 -5.552 1.00 0.00 N ATOM 588 CA GLU X 39 66.748 7.671 -5.279 1.00 0.00 C ATOM 589 C GLU X 39 66.989 7.883 -3.805 1.00 0.00 C ATOM 590 O GLU X 39 68.022 8.404 -3.414 1.00 0.00 O ATOM 591 CB GLU X 39 65.829 8.731 -5.764 1.00 0.00 C ATOM 592 CG GLU X 39 65.848 8.970 -7.243 1.00 0.00 C ATOM 593 CD GLU X 39 67.174 9.491 -7.710 1.00 0.00 C ATOM 594 OE1 GLU X 39 67.403 10.726 -7.628 1.00 0.00 O ATOM 595 OE2 GLU X 39 68.015 8.704 -8.165 1.00 0.00 O ATOM 0 H GLU X 39 65.221 6.385 -5.851 1.00 0.00 H new ATOM 0 HA GLU X 39 67.704 7.726 -5.800 1.00 0.00 H new ATOM 0 HB2 GLU X 39 64.813 8.471 -5.468 1.00 0.00 H new ATOM 0 HB3 GLU X 39 66.079 9.664 -5.259 1.00 0.00 H new ATOM 0 HG2 GLU X 39 65.620 8.040 -7.764 1.00 0.00 H new ATOM 0 HG3 GLU X 39 65.066 9.682 -7.505 1.00 0.00 H new ATOM 602 N HIS X 40 66.030 7.487 -3.004 1.00 0.00 N ATOM 603 CA HIS X 40 66.070 7.676 -1.572 1.00 0.00 C ATOM 604 C HIS X 40 67.269 6.969 -1.003 1.00 0.00 C ATOM 605 O HIS X 40 68.026 7.534 -0.232 1.00 0.00 O ATOM 606 CB HIS X 40 64.777 7.138 -0.937 1.00 0.00 C ATOM 607 CG HIS X 40 64.594 7.453 0.512 1.00 0.00 C ATOM 608 ND1 HIS X 40 63.703 8.387 0.978 1.00 0.00 N ATOM 609 CD2 HIS X 40 65.185 6.918 1.606 1.00 0.00 C ATOM 610 CE1 HIS X 40 63.777 8.398 2.305 1.00 0.00 C ATOM 611 NE2 HIS X 40 64.669 7.518 2.739 1.00 0.00 N ATOM 0 H HIS X 40 65.186 7.017 -3.332 1.00 0.00 H new ATOM 0 HA HIS X 40 66.150 8.740 -1.349 1.00 0.00 H new ATOM 0 HB2 HIS X 40 63.927 7.540 -1.489 1.00 0.00 H new ATOM 0 HB3 HIS X 40 64.755 6.055 -1.061 1.00 0.00 H new ATOM 0 HD1 HIS X 40 63.092 8.970 0.407 1.00 0.00 H new ATOM 0 HD2 HIS X 40 65.940 6.145 1.595 1.00 0.00 H new ATOM 0 HE1 HIS X 40 63.189 9.039 2.945 1.00 0.00 H new ATOM 619 N PHE X 41 67.454 5.766 -1.443 1.00 0.00 N ATOM 620 CA PHE X 41 68.548 4.948 -1.041 1.00 0.00 C ATOM 621 C PHE X 41 69.880 5.580 -1.426 1.00 0.00 C ATOM 622 O PHE X 41 70.775 5.721 -0.594 1.00 0.00 O ATOM 623 CB PHE X 41 68.375 3.578 -1.665 1.00 0.00 C ATOM 624 CG PHE X 41 69.580 2.718 -1.658 1.00 0.00 C ATOM 625 CD1 PHE X 41 69.998 2.088 -0.514 1.00 0.00 C ATOM 626 CD2 PHE X 41 70.283 2.526 -2.814 1.00 0.00 C ATOM 627 CE1 PHE X 41 71.108 1.272 -0.527 1.00 0.00 C ATOM 628 CE2 PHE X 41 71.387 1.722 -2.824 1.00 0.00 C ATOM 629 CZ PHE X 41 71.804 1.096 -1.694 1.00 0.00 C ATOM 0 H PHE X 41 66.829 5.314 -2.111 1.00 0.00 H new ATOM 0 HA PHE X 41 68.558 4.850 0.045 1.00 0.00 H new ATOM 0 HB2 PHE X 41 67.575 3.057 -1.139 1.00 0.00 H new ATOM 0 HB3 PHE X 41 68.048 3.707 -2.697 1.00 0.00 H new ATOM 0 HD1 PHE X 41 69.452 2.233 0.406 1.00 0.00 H new ATOM 0 HD2 PHE X 41 69.964 3.012 -3.724 1.00 0.00 H new ATOM 0 HE1 PHE X 41 71.427 0.774 0.377 1.00 0.00 H new ATOM 0 HE2 PHE X 41 71.936 1.582 -3.744 1.00 0.00 H new ATOM 0 HZ PHE X 41 72.679 0.463 -1.715 1.00 0.00 H new ATOM 639 N VAL X 42 70.021 5.958 -2.664 1.00 0.00 N ATOM 640 CA VAL X 42 71.254 6.551 -3.104 1.00 0.00 C ATOM 641 C VAL X 42 71.509 7.928 -2.485 1.00 0.00 C ATOM 642 O VAL X 42 72.621 8.268 -2.214 1.00 0.00 O ATOM 643 CB VAL X 42 71.428 6.527 -4.637 1.00 0.00 C ATOM 644 CG1 VAL X 42 70.412 7.325 -5.356 1.00 0.00 C ATOM 645 CG2 VAL X 42 72.825 6.882 -5.071 1.00 0.00 C ATOM 0 H VAL X 42 69.304 5.868 -3.384 1.00 0.00 H new ATOM 0 HA VAL X 42 72.044 5.907 -2.717 1.00 0.00 H new ATOM 0 HB VAL X 42 71.260 5.489 -4.924 1.00 0.00 H new ATOM 0 HG11 VAL X 42 70.594 7.264 -6.429 1.00 0.00 H new ATOM 0 HG12 VAL X 42 69.419 6.935 -5.134 1.00 0.00 H new ATOM 0 HG13 VAL X 42 70.473 8.365 -5.036 1.00 0.00 H new ATOM 0 HG21 VAL X 42 72.888 6.849 -6.159 1.00 0.00 H new ATOM 0 HG22 VAL X 42 73.070 7.886 -4.724 1.00 0.00 H new ATOM 0 HG23 VAL X 42 73.531 6.169 -4.645 1.00 0.00 H new ATOM 655 N LYS X 43 70.466 8.679 -2.224 1.00 0.00 N ATOM 656 CA LYS X 43 70.624 10.028 -1.640 1.00 0.00 C ATOM 657 C LYS X 43 71.036 9.957 -0.165 1.00 0.00 C ATOM 658 O LYS X 43 71.609 10.904 0.381 1.00 0.00 O ATOM 659 CB LYS X 43 69.337 10.880 -1.774 1.00 0.00 C ATOM 660 CG LYS X 43 68.268 10.621 -0.697 1.00 0.00 C ATOM 661 CD LYS X 43 67.023 11.455 -0.929 1.00 0.00 C ATOM 662 CE LYS X 43 66.021 11.281 0.204 1.00 0.00 C ATOM 663 NZ LYS X 43 64.834 12.136 0.027 1.00 0.00 N ATOM 0 H LYS X 43 69.500 8.400 -2.398 1.00 0.00 H new ATOM 0 HA LYS X 43 71.417 10.513 -2.210 1.00 0.00 H new ATOM 0 HB2 LYS X 43 69.613 11.934 -1.744 1.00 0.00 H new ATOM 0 HB3 LYS X 43 68.897 10.693 -2.753 1.00 0.00 H new ATOM 0 HG2 LYS X 43 68.002 9.564 -0.695 1.00 0.00 H new ATOM 0 HG3 LYS X 43 68.680 10.848 0.286 1.00 0.00 H new ATOM 0 HD2 LYS X 43 67.298 12.506 -1.016 1.00 0.00 H new ATOM 0 HD3 LYS X 43 66.561 11.167 -1.873 1.00 0.00 H new ATOM 0 HE2 LYS X 43 65.711 10.237 0.257 1.00 0.00 H new ATOM 0 HE3 LYS X 43 66.502 11.520 1.153 1.00 0.00 H new ATOM 0 HZ1 LYS X 43 64.177 11.987 0.820 1.00 0.00 H new ATOM 0 HZ2 LYS X 43 65.126 13.134 0.002 1.00 0.00 H new ATOM 0 HZ3 LYS X 43 64.360 11.891 -0.866 1.00 0.00 H new ATOM 677 N ILE X 44 70.680 8.878 0.501 1.00 0.00 N ATOM 678 CA ILE X 44 71.045 8.729 1.886 1.00 0.00 C ATOM 679 C ILE X 44 72.421 8.096 2.016 1.00 0.00 C ATOM 680 O ILE X 44 73.189 8.453 2.903 1.00 0.00 O ATOM 681 CB ILE X 44 69.976 7.953 2.724 1.00 0.00 C ATOM 682 CG1 ILE X 44 69.727 6.560 2.140 1.00 0.00 C ATOM 683 CG2 ILE X 44 68.676 8.752 2.783 1.00 0.00 C ATOM 684 CD1 ILE X 44 68.703 5.735 2.876 1.00 0.00 C ATOM 0 H ILE X 44 70.145 8.103 0.108 1.00 0.00 H new ATOM 0 HA ILE X 44 71.084 9.733 2.309 1.00 0.00 H new ATOM 0 HB ILE X 44 70.357 7.827 3.737 1.00 0.00 H new ATOM 0 HG12 ILE X 44 69.407 6.669 1.104 1.00 0.00 H new ATOM 0 HG13 ILE X 44 70.670 6.014 2.127 1.00 0.00 H new ATOM 0 HG21 ILE X 44 67.938 8.204 3.368 1.00 0.00 H new ATOM 0 HG22 ILE X 44 68.864 9.719 3.250 1.00 0.00 H new ATOM 0 HG23 ILE X 44 68.297 8.905 1.773 1.00 0.00 H new ATOM 0 HD11 ILE X 44 68.597 4.766 2.387 1.00 0.00 H new ATOM 0 HD12 ILE X 44 69.027 5.588 3.906 1.00 0.00 H new ATOM 0 HD13 ILE X 44 67.744 6.253 2.867 1.00 0.00 H new ATOM 696 N THR X 45 72.741 7.194 1.112 1.00 0.00 N ATOM 697 CA THR X 45 74.016 6.513 1.141 1.00 0.00 C ATOM 698 C THR X 45 75.089 7.331 0.461 1.00 0.00 C ATOM 699 O THR X 45 76.278 7.254 0.833 1.00 0.00 O ATOM 700 CB THR X 45 73.922 5.143 0.449 1.00 0.00 C ATOM 701 OG1 THR X 45 73.410 5.300 -0.887 1.00 0.00 O ATOM 702 CG2 THR X 45 73.013 4.227 1.219 1.00 0.00 C ATOM 0 H THR X 45 72.131 6.915 0.344 1.00 0.00 H new ATOM 0 HA THR X 45 74.281 6.375 2.189 1.00 0.00 H new ATOM 0 HB THR X 45 74.921 4.709 0.411 1.00 0.00 H new ATOM 0 HG1 THR X 45 72.441 5.154 -0.885 1.00 0.00 H new ATOM 0 HG21 THR X 45 72.958 3.262 0.716 1.00 0.00 H new ATOM 0 HG22 THR X 45 73.405 4.089 2.227 1.00 0.00 H new ATOM 0 HG23 THR X 45 72.016 4.665 1.274 1.00 0.00 H new ATOM 710 N GLU X 46 74.663 8.093 -0.558 1.00 0.00 N ATOM 711 CA GLU X 46 75.523 8.904 -1.395 1.00 0.00 C ATOM 712 C GLU X 46 76.572 8.031 -2.055 1.00 0.00 C ATOM 713 O GLU X 46 77.689 8.460 -2.372 1.00 0.00 O ATOM 714 CB GLU X 46 76.095 10.050 -0.595 1.00 0.00 C ATOM 715 CG GLU X 46 75.060 11.116 -0.267 1.00 0.00 C ATOM 716 CD GLU X 46 74.596 11.848 -1.506 1.00 0.00 C ATOM 717 OE1 GLU X 46 75.251 12.853 -1.889 1.00 0.00 O ATOM 718 OE2 GLU X 46 73.607 11.441 -2.137 1.00 0.00 O ATOM 0 H GLU X 46 73.679 8.155 -0.820 1.00 0.00 H new ATOM 0 HA GLU X 46 74.949 9.357 -2.203 1.00 0.00 H new ATOM 0 HB2 GLU X 46 76.518 9.664 0.332 1.00 0.00 H new ATOM 0 HB3 GLU X 46 76.913 10.504 -1.154 1.00 0.00 H new ATOM 0 HG2 GLU X 46 74.204 10.653 0.223 1.00 0.00 H new ATOM 0 HG3 GLU X 46 75.484 11.830 0.439 1.00 0.00 H new ATOM 725 N HIS X 47 76.154 6.805 -2.307 1.00 0.00 N ATOM 726 CA HIS X 47 76.977 5.801 -2.894 1.00 0.00 C ATOM 727 C HIS X 47 76.969 6.006 -4.412 1.00 0.00 C ATOM 728 O HIS X 47 75.916 6.247 -4.984 1.00 0.00 O ATOM 729 CB HIS X 47 76.416 4.408 -2.523 1.00 0.00 C ATOM 730 CG HIS X 47 77.334 3.283 -2.860 1.00 0.00 C ATOM 731 ND1 HIS X 47 77.157 2.414 -3.909 1.00 0.00 N ATOM 732 CD2 HIS X 47 78.487 2.923 -2.276 1.00 0.00 C ATOM 733 CE1 HIS X 47 78.205 1.586 -3.926 1.00 0.00 C ATOM 734 NE2 HIS X 47 79.035 1.852 -2.957 1.00 0.00 N ATOM 0 H HIS X 47 75.208 6.486 -2.099 1.00 0.00 H new ATOM 0 HA HIS X 47 78.001 5.868 -2.527 1.00 0.00 H new ATOM 0 HB2 HIS X 47 76.204 4.384 -1.454 1.00 0.00 H new ATOM 0 HB3 HIS X 47 75.468 4.259 -3.039 1.00 0.00 H new ATOM 0 HD2 HIS X 47 78.920 3.397 -1.408 1.00 0.00 H new ATOM 0 HE1 HIS X 47 78.346 0.797 -4.650 1.00 0.00 H new ATOM 0 HE2 HIS X 47 79.908 1.370 -2.745 1.00 0.00 H new ATOM 742 N PRO X 48 78.119 5.873 -5.098 1.00 0.00 N ATOM 743 CA PRO X 48 78.229 6.137 -6.548 1.00 0.00 C ATOM 744 C PRO X 48 77.595 5.069 -7.375 1.00 0.00 C ATOM 745 O PRO X 48 77.489 5.181 -8.589 1.00 0.00 O ATOM 746 CB PRO X 48 79.719 6.057 -6.811 1.00 0.00 C ATOM 747 CG PRO X 48 80.374 6.077 -5.501 1.00 0.00 C ATOM 748 CD PRO X 48 79.408 5.442 -4.563 1.00 0.00 C ATOM 0 HA PRO X 48 77.746 7.081 -6.800 1.00 0.00 H new ATOM 0 HB2 PRO X 48 79.968 5.146 -7.356 1.00 0.00 H new ATOM 0 HB3 PRO X 48 80.050 6.896 -7.423 1.00 0.00 H new ATOM 0 HG2 PRO X 48 81.316 5.529 -5.525 1.00 0.00 H new ATOM 0 HG3 PRO X 48 80.606 7.097 -5.194 1.00 0.00 H new ATOM 0 HD2 PRO X 48 79.502 4.356 -4.557 1.00 0.00 H new ATOM 0 HD3 PRO X 48 79.556 5.781 -3.538 1.00 0.00 H new ATOM 756 N ASP X 49 77.173 4.039 -6.734 1.00 0.00 N ATOM 757 CA ASP X 49 76.684 2.923 -7.415 1.00 0.00 C ATOM 758 C ASP X 49 75.442 2.515 -6.705 1.00 0.00 C ATOM 759 O ASP X 49 75.132 1.343 -6.620 1.00 0.00 O ATOM 760 CB ASP X 49 77.673 1.746 -7.391 1.00 0.00 C ATOM 761 CG ASP X 49 79.029 2.055 -7.951 1.00 0.00 C ATOM 762 OD1 ASP X 49 79.150 2.287 -9.162 1.00 0.00 O ATOM 763 OD2 ASP X 49 80.016 2.059 -7.178 1.00 0.00 O ATOM 0 H ASP X 49 77.162 3.958 -5.717 1.00 0.00 H new ATOM 0 HA ASP X 49 76.515 3.179 -8.461 1.00 0.00 H new ATOM 0 HB2 ASP X 49 77.789 1.407 -6.361 1.00 0.00 H new ATOM 0 HB3 ASP X 49 77.243 0.917 -7.953 1.00 0.00 H new ATOM 768 N GLY X 50 74.753 3.516 -6.159 1.00 0.00 N ATOM 769 CA GLY X 50 73.546 3.321 -5.365 1.00 0.00 C ATOM 770 C GLY X 50 72.609 2.411 -5.982 1.00 0.00 C ATOM 771 O GLY X 50 72.364 1.328 -5.476 1.00 0.00 O ATOM 0 H GLY X 50 75.022 4.495 -6.258 1.00 0.00 H new ATOM 0 HA2 GLY X 50 73.822 2.940 -4.382 1.00 0.00 H new ATOM 0 HA3 GLY X 50 73.060 4.284 -5.209 1.00 0.00 H new ATOM 775 N THR X 51 72.188 2.747 -7.101 1.00 0.00 N ATOM 776 CA THR X 51 71.157 1.994 -7.695 1.00 0.00 C ATOM 777 C THR X 51 71.690 0.662 -8.235 1.00 0.00 C ATOM 778 O THR X 51 70.995 -0.360 -8.193 1.00 0.00 O ATOM 779 CB THR X 51 70.451 2.790 -8.749 1.00 0.00 C ATOM 780 OG1 THR X 51 70.549 4.192 -8.399 1.00 0.00 O ATOM 781 CG2 THR X 51 69.009 2.406 -8.721 1.00 0.00 C ATOM 0 H THR X 51 72.528 3.539 -7.646 1.00 0.00 H new ATOM 0 HA THR X 51 70.421 1.755 -6.928 1.00 0.00 H new ATOM 0 HB THR X 51 70.886 2.607 -9.732 1.00 0.00 H new ATOM 0 HG1 THR X 51 71.333 4.584 -8.836 1.00 0.00 H new ATOM 0 HG21 THR X 51 68.467 2.971 -9.480 1.00 0.00 H new ATOM 0 HG22 THR X 51 68.912 1.340 -8.925 1.00 0.00 H new ATOM 0 HG23 THR X 51 68.593 2.627 -7.738 1.00 0.00 H new ATOM 789 N ALA X 52 72.956 0.664 -8.641 1.00 0.00 N ATOM 790 CA ALA X 52 73.622 -0.536 -9.109 1.00 0.00 C ATOM 791 C ALA X 52 73.707 -1.557 -7.998 1.00 0.00 C ATOM 792 O ALA X 52 73.716 -2.751 -8.261 1.00 0.00 O ATOM 793 CB ALA X 52 74.995 -0.210 -9.668 1.00 0.00 C ATOM 0 H ALA X 52 73.544 1.498 -8.653 1.00 0.00 H new ATOM 0 HA ALA X 52 73.033 -0.967 -9.919 1.00 0.00 H new ATOM 0 HB1 ALA X 52 75.475 -1.126 -10.012 1.00 0.00 H new ATOM 0 HB2 ALA X 52 74.893 0.482 -10.504 1.00 0.00 H new ATOM 0 HB3 ALA X 52 75.605 0.248 -8.890 1.00 0.00 H new ATOM 799 N LEU X 53 73.743 -1.085 -6.754 1.00 0.00 N ATOM 800 CA LEU X 53 73.721 -1.975 -5.612 1.00 0.00 C ATOM 801 C LEU X 53 72.430 -2.739 -5.497 1.00 0.00 C ATOM 802 O LEU X 53 72.458 -3.930 -5.244 1.00 0.00 O ATOM 803 CB LEU X 53 74.038 -1.286 -4.296 1.00 0.00 C ATOM 804 CG LEU X 53 75.467 -0.799 -4.117 1.00 0.00 C ATOM 805 CD1 LEU X 53 75.665 -0.355 -2.703 1.00 0.00 C ATOM 806 CD2 LEU X 53 76.480 -1.876 -4.477 1.00 0.00 C ATOM 0 H LEU X 53 73.787 -0.093 -6.519 1.00 0.00 H new ATOM 0 HA LEU X 53 74.525 -2.685 -5.807 1.00 0.00 H new ATOM 0 HB2 LEU X 53 73.370 -0.432 -4.187 1.00 0.00 H new ATOM 0 HB3 LEU X 53 73.808 -1.976 -3.484 1.00 0.00 H new ATOM 0 HG LEU X 53 75.630 0.039 -4.795 1.00 0.00 H new ATOM 0 HD11 LEU X 53 76.689 -0.005 -2.571 1.00 0.00 H new ATOM 0 HD12 LEU X 53 74.973 0.456 -2.476 1.00 0.00 H new ATOM 0 HD13 LEU X 53 75.478 -1.191 -2.029 1.00 0.00 H new ATOM 0 HD21 LEU X 53 77.489 -1.488 -4.336 1.00 0.00 H new ATOM 0 HD22 LEU X 53 76.332 -2.744 -3.835 1.00 0.00 H new ATOM 0 HD23 LEU X 53 76.346 -2.168 -5.519 1.00 0.00 H new ATOM 818 N ILE X 54 71.290 -2.084 -5.702 1.00 0.00 N ATOM 819 CA ILE X 54 70.010 -2.843 -5.580 1.00 0.00 C ATOM 820 C ILE X 54 69.934 -3.855 -6.704 1.00 0.00 C ATOM 821 O ILE X 54 69.537 -5.016 -6.515 1.00 0.00 O ATOM 822 CB ILE X 54 68.687 -2.009 -5.603 1.00 0.00 C ATOM 823 CG1 ILE X 54 68.693 -0.897 -4.580 1.00 0.00 C ATOM 824 CG2 ILE X 54 67.479 -2.915 -5.361 1.00 0.00 C ATOM 825 CD1 ILE X 54 69.315 0.358 -5.079 1.00 0.00 C ATOM 0 H ILE X 54 71.205 -1.096 -5.939 1.00 0.00 H new ATOM 0 HA ILE X 54 70.056 -3.286 -4.585 1.00 0.00 H new ATOM 0 HB ILE X 54 68.617 -1.556 -6.592 1.00 0.00 H new ATOM 0 HG12 ILE X 54 67.668 -0.689 -4.273 1.00 0.00 H new ATOM 0 HG13 ILE X 54 69.229 -1.232 -3.692 1.00 0.00 H new ATOM 0 HG21 ILE X 54 66.567 -2.318 -5.380 1.00 0.00 H new ATOM 0 HG22 ILE X 54 67.432 -3.675 -6.141 1.00 0.00 H new ATOM 0 HG23 ILE X 54 67.576 -3.398 -4.389 1.00 0.00 H new ATOM 0 HD11 ILE X 54 69.286 1.115 -4.295 1.00 0.00 H new ATOM 0 HD12 ILE X 54 70.350 0.165 -5.359 1.00 0.00 H new ATOM 0 HD13 ILE X 54 68.765 0.716 -5.949 1.00 0.00 H new ATOM 837 N TYR X 55 70.340 -3.398 -7.871 1.00 0.00 N ATOM 838 CA TYR X 55 70.379 -4.215 -9.051 1.00 0.00 C ATOM 839 C TYR X 55 71.263 -5.441 -8.858 1.00 0.00 C ATOM 840 O TYR X 55 70.843 -6.564 -9.163 1.00 0.00 O ATOM 841 CB TYR X 55 70.799 -3.392 -10.260 1.00 0.00 C ATOM 842 CG TYR X 55 69.670 -2.581 -10.883 1.00 0.00 C ATOM 843 CD1 TYR X 55 68.729 -3.188 -11.711 1.00 0.00 C ATOM 844 CD2 TYR X 55 69.544 -1.222 -10.649 1.00 0.00 C ATOM 845 CE1 TYR X 55 67.702 -2.458 -12.284 1.00 0.00 C ATOM 846 CE2 TYR X 55 68.522 -0.486 -11.213 1.00 0.00 C ATOM 847 CZ TYR X 55 67.605 -1.106 -12.028 1.00 0.00 C ATOM 848 OH TYR X 55 66.585 -0.367 -12.592 1.00 0.00 O ATOM 0 H TYR X 55 70.654 -2.439 -8.021 1.00 0.00 H new ATOM 0 HA TYR X 55 69.371 -4.586 -9.238 1.00 0.00 H new ATOM 0 HB2 TYR X 55 71.599 -2.713 -9.964 1.00 0.00 H new ATOM 0 HB3 TYR X 55 71.212 -4.061 -11.016 1.00 0.00 H new ATOM 0 HD1 TYR X 55 68.802 -4.247 -11.910 1.00 0.00 H new ATOM 0 HD2 TYR X 55 70.261 -0.727 -10.011 1.00 0.00 H new ATOM 0 HE1 TYR X 55 66.982 -2.943 -12.927 1.00 0.00 H new ATOM 0 HE2 TYR X 55 68.443 0.573 -11.015 1.00 0.00 H new ATOM 0 HH TYR X 55 66.663 0.568 -12.308 1.00 0.00 H new ATOM 858 N GLU X 56 72.463 -5.251 -8.320 1.00 0.00 N ATOM 859 CA GLU X 56 73.299 -6.390 -8.037 1.00 0.00 C ATOM 860 C GLU X 56 72.716 -7.239 -6.924 1.00 0.00 C ATOM 861 O GLU X 56 72.784 -8.423 -7.005 1.00 0.00 O ATOM 862 CB GLU X 56 74.787 -6.070 -7.764 1.00 0.00 C ATOM 863 CG GLU X 56 75.053 -5.043 -6.681 1.00 0.00 C ATOM 864 CD GLU X 56 76.433 -5.171 -6.073 1.00 0.00 C ATOM 865 OE1 GLU X 56 77.391 -4.600 -6.618 1.00 0.00 O ATOM 866 OE2 GLU X 56 76.590 -5.854 -5.045 1.00 0.00 O ATOM 0 H GLU X 56 72.862 -4.343 -8.080 1.00 0.00 H new ATOM 0 HA GLU X 56 73.302 -6.959 -8.966 1.00 0.00 H new ATOM 0 HB2 GLU X 56 75.294 -6.996 -7.493 1.00 0.00 H new ATOM 0 HB3 GLU X 56 75.239 -5.718 -8.691 1.00 0.00 H new ATOM 0 HG2 GLU X 56 74.937 -4.043 -7.099 1.00 0.00 H new ATOM 0 HG3 GLU X 56 74.304 -5.149 -5.896 1.00 0.00 H new ATOM 873 N ALA X 57 72.099 -6.617 -5.914 1.00 0.00 N ATOM 874 CA ALA X 57 71.526 -7.345 -4.764 1.00 0.00 C ATOM 875 C ALA X 57 70.500 -8.370 -5.201 1.00 0.00 C ATOM 876 O ALA X 57 70.528 -9.519 -4.742 1.00 0.00 O ATOM 877 CB ALA X 57 70.883 -6.389 -3.781 1.00 0.00 C ATOM 0 H ALA X 57 71.980 -5.605 -5.865 1.00 0.00 H new ATOM 0 HA ALA X 57 72.353 -7.864 -4.279 1.00 0.00 H new ATOM 0 HB1 ALA X 57 70.469 -6.952 -2.944 1.00 0.00 H new ATOM 0 HB2 ALA X 57 71.632 -5.688 -3.412 1.00 0.00 H new ATOM 0 HB3 ALA X 57 70.084 -5.838 -4.278 1.00 0.00 H new ATOM 1025 N GLY X 71 71.118 -10.162 -1.095 1.00 0.00 N ATOM 1026 CA GLY X 71 69.901 -9.473 -0.940 1.00 0.00 C ATOM 1027 C GLY X 71 70.116 -8.163 -0.232 1.00 0.00 C ATOM 1028 O GLY X 71 71.193 -7.562 -0.358 1.00 0.00 O ATOM 0 HA2 GLY X 71 69.452 -9.294 -1.917 1.00 0.00 H new ATOM 0 HA3 GLY X 71 69.200 -10.087 -0.374 1.00 0.00 H new ATOM 1032 N PRO X 72 69.171 -7.759 0.609 1.00 0.00 N ATOM 1033 CA PRO X 72 69.165 -6.448 1.233 1.00 0.00 C ATOM 1034 C PRO X 72 70.189 -6.332 2.333 1.00 0.00 C ATOM 1035 O PRO X 72 70.964 -5.403 2.383 1.00 0.00 O ATOM 1036 CB PRO X 72 67.769 -6.313 1.822 1.00 0.00 C ATOM 1037 CG PRO X 72 67.187 -7.682 1.840 1.00 0.00 C ATOM 1038 CD PRO X 72 68.063 -8.594 1.044 1.00 0.00 C ATOM 0 HA PRO X 72 69.412 -5.671 0.509 1.00 0.00 H new ATOM 0 HB2 PRO X 72 67.811 -5.895 2.828 1.00 0.00 H new ATOM 0 HB3 PRO X 72 67.158 -5.639 1.222 1.00 0.00 H new ATOM 0 HG2 PRO X 72 67.102 -8.042 2.865 1.00 0.00 H new ATOM 0 HG3 PRO X 72 66.180 -7.668 1.423 1.00 0.00 H new ATOM 0 HD2 PRO X 72 68.412 -9.432 1.647 1.00 0.00 H new ATOM 0 HD3 PRO X 72 67.527 -9.015 0.193 1.00 0.00 H new ATOM 1046 N GLU X 73 70.223 -7.325 3.166 1.00 0.00 N ATOM 1047 CA GLU X 73 71.086 -7.376 4.316 1.00 0.00 C ATOM 1048 C GLU X 73 72.543 -7.632 3.913 1.00 0.00 C ATOM 1049 O GLU X 73 73.423 -7.717 4.757 1.00 0.00 O ATOM 1050 CB GLU X 73 70.530 -8.407 5.282 1.00 0.00 C ATOM 1051 CG GLU X 73 69.098 -8.072 5.664 1.00 0.00 C ATOM 1052 CD GLU X 73 68.382 -9.153 6.412 1.00 0.00 C ATOM 1053 OE1 GLU X 73 68.630 -9.345 7.617 1.00 0.00 O ATOM 1054 OE2 GLU X 73 67.517 -9.817 5.803 1.00 0.00 O ATOM 0 H GLU X 73 69.634 -8.151 3.065 1.00 0.00 H new ATOM 0 HA GLU X 73 71.105 -6.411 4.823 1.00 0.00 H new ATOM 0 HB2 GLU X 73 70.567 -9.396 4.826 1.00 0.00 H new ATOM 0 HB3 GLU X 73 71.151 -8.445 6.177 1.00 0.00 H new ATOM 0 HG2 GLU X 73 69.101 -7.168 6.273 1.00 0.00 H new ATOM 0 HG3 GLU X 73 68.538 -7.844 4.757 1.00 0.00 H new ATOM 1061 N GLY X 74 72.787 -7.745 2.632 1.00 0.00 N ATOM 1062 CA GLY X 74 74.141 -7.814 2.184 1.00 0.00 C ATOM 1063 C GLY X 74 74.586 -6.553 1.503 1.00 0.00 C ATOM 1064 O GLY X 74 75.742 -6.161 1.630 1.00 0.00 O ATOM 0 H GLY X 74 72.078 -7.790 1.900 1.00 0.00 H new ATOM 0 HA2 GLY X 74 74.792 -8.013 3.035 1.00 0.00 H new ATOM 0 HA3 GLY X 74 74.250 -8.653 1.496 1.00 0.00 H new ATOM 1068 N ILE X 75 73.690 -5.891 0.792 1.00 0.00 N ATOM 1069 CA ILE X 75 74.024 -4.577 0.235 1.00 0.00 C ATOM 1070 C ILE X 75 74.213 -3.570 1.332 1.00 0.00 C ATOM 1071 O ILE X 75 74.950 -2.613 1.171 1.00 0.00 O ATOM 1072 CB ILE X 75 73.003 -4.029 -0.766 1.00 0.00 C ATOM 1073 CG1 ILE X 75 71.596 -4.471 -0.385 1.00 0.00 C ATOM 1074 CG2 ILE X 75 73.384 -4.420 -2.169 1.00 0.00 C ATOM 1075 CD1 ILE X 75 70.477 -3.741 -1.052 1.00 0.00 C ATOM 0 H ILE X 75 72.748 -6.224 0.586 1.00 0.00 H new ATOM 0 HA ILE X 75 74.951 -4.736 -0.316 1.00 0.00 H new ATOM 0 HB ILE X 75 73.008 -2.940 -0.732 1.00 0.00 H new ATOM 0 HG12 ILE X 75 71.496 -5.533 -0.611 1.00 0.00 H new ATOM 0 HG13 ILE X 75 71.482 -4.363 0.694 1.00 0.00 H new ATOM 0 HG21 ILE X 75 72.649 -4.023 -2.870 1.00 0.00 H new ATOM 0 HG22 ILE X 75 74.367 -4.013 -2.406 1.00 0.00 H new ATOM 0 HG23 ILE X 75 73.412 -5.507 -2.249 1.00 0.00 H new ATOM 0 HD11 ILE X 75 69.524 -4.140 -0.705 1.00 0.00 H new ATOM 0 HD12 ILE X 75 70.537 -2.681 -0.807 1.00 0.00 H new ATOM 0 HD13 ILE X 75 70.552 -3.869 -2.132 1.00 0.00 H new ATOM 1087 N VAL X 76 73.554 -3.795 2.461 1.00 0.00 N ATOM 1088 CA VAL X 76 73.707 -2.967 3.581 1.00 0.00 C ATOM 1089 C VAL X 76 75.148 -2.994 4.089 1.00 0.00 C ATOM 1090 O VAL X 76 75.708 -1.980 4.493 1.00 0.00 O ATOM 1091 CB VAL X 76 72.734 -3.344 4.688 1.00 0.00 C ATOM 1092 CG1 VAL X 76 71.312 -3.161 4.301 1.00 0.00 C ATOM 1093 CG2 VAL X 76 72.971 -4.691 5.319 1.00 0.00 C ATOM 0 H VAL X 76 72.903 -4.568 2.595 1.00 0.00 H new ATOM 0 HA VAL X 76 73.476 -1.948 3.271 1.00 0.00 H new ATOM 0 HB VAL X 76 72.956 -2.622 5.474 1.00 0.00 H new ATOM 0 HG11 VAL X 76 70.669 -3.447 5.133 1.00 0.00 H new ATOM 0 HG12 VAL X 76 71.135 -2.115 4.048 1.00 0.00 H new ATOM 0 HG13 VAL X 76 71.087 -3.786 3.437 1.00 0.00 H new ATOM 0 HG21 VAL X 76 72.226 -4.865 6.095 1.00 0.00 H new ATOM 0 HG22 VAL X 76 72.892 -5.468 4.559 1.00 0.00 H new ATOM 0 HG23 VAL X 76 73.967 -4.716 5.760 1.00 0.00 H new ATOM 1103 N LYS X 77 75.728 -4.154 4.029 1.00 0.00 N ATOM 1104 CA LYS X 77 77.102 -4.367 4.380 1.00 0.00 C ATOM 1105 C LYS X 77 77.984 -3.622 3.385 1.00 0.00 C ATOM 1106 O LYS X 77 78.887 -2.906 3.774 1.00 0.00 O ATOM 1107 CB LYS X 77 77.392 -5.855 4.338 1.00 0.00 C ATOM 1108 CG LYS X 77 78.812 -6.251 4.697 1.00 0.00 C ATOM 1109 CD LYS X 77 79.021 -7.736 4.459 1.00 0.00 C ATOM 1110 CE LYS X 77 78.131 -8.592 5.352 1.00 0.00 C ATOM 1111 NZ LYS X 77 78.258 -10.030 5.060 1.00 0.00 N ATOM 0 H LYS X 77 75.248 -5.002 3.727 1.00 0.00 H new ATOM 0 HA LYS X 77 77.306 -3.994 5.384 1.00 0.00 H new ATOM 0 HB2 LYS X 77 76.708 -6.361 5.020 1.00 0.00 H new ATOM 0 HB3 LYS X 77 77.173 -6.223 3.336 1.00 0.00 H new ATOM 0 HG2 LYS X 77 79.519 -5.677 4.099 1.00 0.00 H new ATOM 0 HG3 LYS X 77 79.010 -6.012 5.742 1.00 0.00 H new ATOM 0 HD2 LYS X 77 78.815 -7.968 3.414 1.00 0.00 H new ATOM 0 HD3 LYS X 77 80.066 -7.988 4.641 1.00 0.00 H new ATOM 0 HE2 LYS X 77 78.388 -8.412 6.396 1.00 0.00 H new ATOM 0 HE3 LYS X 77 77.092 -8.288 5.223 1.00 0.00 H new ATOM 0 HZ1 LYS X 77 77.634 -10.569 5.693 1.00 0.00 H new ATOM 0 HZ2 LYS X 77 77.987 -10.209 4.072 1.00 0.00 H new ATOM 0 HZ3 LYS X 77 79.243 -10.329 5.209 1.00 0.00 H new ATOM 1125 N GLU X 78 77.652 -3.749 2.098 1.00 0.00 N ATOM 1126 CA GLU X 78 78.391 -3.085 1.025 1.00 0.00 C ATOM 1127 C GLU X 78 78.380 -1.560 1.265 1.00 0.00 C ATOM 1128 O GLU X 78 79.392 -0.868 1.060 1.00 0.00 O ATOM 1129 CB GLU X 78 77.765 -3.419 -0.355 1.00 0.00 C ATOM 1130 CG GLU X 78 78.650 -3.062 -1.534 1.00 0.00 C ATOM 1131 CD GLU X 78 79.886 -3.927 -1.605 1.00 0.00 C ATOM 1132 OE1 GLU X 78 80.833 -3.724 -0.813 1.00 0.00 O ATOM 1133 OE2 GLU X 78 79.931 -4.838 -2.440 1.00 0.00 O ATOM 0 H GLU X 78 76.867 -4.313 1.773 1.00 0.00 H new ATOM 0 HA GLU X 78 79.421 -3.443 1.025 1.00 0.00 H new ATOM 0 HB2 GLU X 78 77.539 -4.485 -0.392 1.00 0.00 H new ATOM 0 HB3 GLU X 78 76.817 -2.889 -0.451 1.00 0.00 H new ATOM 0 HG2 GLU X 78 78.081 -3.168 -2.458 1.00 0.00 H new ATOM 0 HG3 GLU X 78 78.945 -2.015 -1.460 1.00 0.00 H new ATOM 1140 N ILE X 79 77.241 -1.068 1.747 1.00 0.00 N ATOM 1141 CA ILE X 79 77.070 0.333 2.074 1.00 0.00 C ATOM 1142 C ILE X 79 77.934 0.737 3.273 1.00 0.00 C ATOM 1143 O ILE X 79 78.652 1.740 3.209 1.00 0.00 O ATOM 1144 CB ILE X 79 75.572 0.672 2.393 1.00 0.00 C ATOM 1145 CG1 ILE X 79 74.692 0.537 1.150 1.00 0.00 C ATOM 1146 CG2 ILE X 79 75.416 2.065 3.012 1.00 0.00 C ATOM 1147 CD1 ILE X 79 75.045 1.498 0.033 1.00 0.00 C ATOM 0 H ILE X 79 76.412 -1.637 1.920 1.00 0.00 H new ATOM 0 HA ILE X 79 77.385 0.896 1.196 1.00 0.00 H new ATOM 0 HB ILE X 79 75.237 -0.057 3.131 1.00 0.00 H new ATOM 0 HG12 ILE X 79 74.767 -0.483 0.774 1.00 0.00 H new ATOM 0 HG13 ILE X 79 73.652 0.695 1.436 1.00 0.00 H new ATOM 0 HG21 ILE X 79 74.363 2.257 3.216 1.00 0.00 H new ATOM 0 HG22 ILE X 79 75.981 2.115 3.943 1.00 0.00 H new ATOM 0 HG23 ILE X 79 75.793 2.816 2.318 1.00 0.00 H new ATOM 0 HD11 ILE X 79 74.374 1.337 -0.811 1.00 0.00 H new ATOM 0 HD12 ILE X 79 74.941 2.523 0.389 1.00 0.00 H new ATOM 0 HD13 ILE X 79 76.074 1.326 -0.283 1.00 0.00 H new ATOM 1159 N LYS X 80 77.911 -0.067 4.341 1.00 0.00 N ATOM 1160 CA LYS X 80 78.639 0.296 5.556 1.00 0.00 C ATOM 1161 C LYS X 80 80.135 0.277 5.311 1.00 0.00 C ATOM 1162 O LYS X 80 80.852 1.166 5.753 1.00 0.00 O ATOM 1163 CB LYS X 80 78.258 -0.585 6.783 1.00 0.00 C ATOM 1164 CG LYS X 80 78.721 -2.029 6.735 1.00 0.00 C ATOM 1165 CD LYS X 80 78.390 -2.793 8.023 1.00 0.00 C ATOM 1166 CE LYS X 80 76.899 -2.763 8.375 1.00 0.00 C ATOM 1167 NZ LYS X 80 76.611 -3.542 9.602 1.00 0.00 N ATOM 0 H LYS X 80 77.408 -0.953 4.388 1.00 0.00 H new ATOM 0 HA LYS X 80 78.338 1.313 5.808 1.00 0.00 H new ATOM 0 HB2 LYS X 80 78.670 -0.122 7.680 1.00 0.00 H new ATOM 0 HB3 LYS X 80 77.173 -0.575 6.889 1.00 0.00 H new ATOM 0 HG2 LYS X 80 78.252 -2.530 5.888 1.00 0.00 H new ATOM 0 HG3 LYS X 80 79.797 -2.057 6.566 1.00 0.00 H new ATOM 0 HD2 LYS X 80 78.711 -3.829 7.916 1.00 0.00 H new ATOM 0 HD3 LYS X 80 78.960 -2.366 8.848 1.00 0.00 H new ATOM 0 HE2 LYS X 80 76.579 -1.731 8.516 1.00 0.00 H new ATOM 0 HE3 LYS X 80 76.320 -3.166 7.544 1.00 0.00 H new ATOM 0 HZ1 LYS X 80 75.684 -3.262 9.981 1.00 0.00 H new ATOM 0 HZ2 LYS X 80 76.600 -4.557 9.374 1.00 0.00 H new ATOM 0 HZ3 LYS X 80 77.347 -3.355 10.313 1.00 0.00 H new ATOM 1181 N GLU X 81 80.585 -0.693 4.533 1.00 0.00 N ATOM 1182 CA GLU X 81 81.991 -0.841 4.250 1.00 0.00 C ATOM 1183 C GLU X 81 82.495 0.283 3.363 1.00 0.00 C ATOM 1184 O GLU X 81 83.645 0.697 3.470 1.00 0.00 O ATOM 1185 CB GLU X 81 82.297 -2.211 3.654 1.00 0.00 C ATOM 1186 CG GLU X 81 81.794 -3.345 4.520 1.00 0.00 C ATOM 1187 CD GLU X 81 82.242 -4.708 4.080 1.00 0.00 C ATOM 1188 OE1 GLU X 81 82.041 -5.086 2.907 1.00 0.00 O ATOM 1189 OE2 GLU X 81 82.799 -5.441 4.922 1.00 0.00 O ATOM 0 H GLU X 81 79.989 -1.390 4.087 1.00 0.00 H new ATOM 0 HA GLU X 81 82.528 -0.774 5.196 1.00 0.00 H new ATOM 0 HB2 GLU X 81 81.843 -2.284 2.666 1.00 0.00 H new ATOM 0 HB3 GLU X 81 83.374 -2.312 3.518 1.00 0.00 H new ATOM 0 HG2 GLU X 81 82.128 -3.179 5.544 1.00 0.00 H new ATOM 0 HG3 GLU X 81 80.704 -3.321 4.532 1.00 0.00 H new ATOM 1196 N TRP X 82 81.639 0.777 2.492 1.00 0.00 N ATOM 1197 CA TRP X 82 82.000 1.890 1.637 1.00 0.00 C ATOM 1198 C TRP X 82 82.067 3.154 2.462 1.00 0.00 C ATOM 1199 O TRP X 82 83.042 3.918 2.401 1.00 0.00 O ATOM 1200 CB TRP X 82 80.935 2.104 0.584 1.00 0.00 C ATOM 1201 CG TRP X 82 81.316 3.123 -0.444 1.00 0.00 C ATOM 1202 CD1 TRP X 82 82.069 2.916 -1.559 1.00 0.00 C ATOM 1203 CD2 TRP X 82 80.959 4.511 -0.451 1.00 0.00 C ATOM 1204 NE1 TRP X 82 82.195 4.087 -2.259 1.00 0.00 N ATOM 1205 CE2 TRP X 82 81.526 5.078 -1.601 1.00 0.00 C ATOM 1206 CE3 TRP X 82 80.211 5.324 0.407 1.00 0.00 C ATOM 1207 CZ2 TRP X 82 81.371 6.417 -1.921 1.00 0.00 C ATOM 1208 CZ3 TRP X 82 80.062 6.652 0.095 1.00 0.00 C ATOM 1209 CH2 TRP X 82 80.634 7.187 -1.059 1.00 0.00 C ATOM 0 H TRP X 82 80.691 0.427 2.357 1.00 0.00 H new ATOM 0 HA TRP X 82 82.960 1.668 1.172 1.00 0.00 H new ATOM 0 HB2 TRP X 82 80.729 1.156 0.087 1.00 0.00 H new ATOM 0 HB3 TRP X 82 80.011 2.416 1.070 1.00 0.00 H new ATOM 0 HD1 TRP X 82 82.502 1.970 -1.849 1.00 0.00 H new ATOM 0 HE1 TRP X 82 82.708 4.200 -3.134 1.00 0.00 H new ATOM 0 HE3 TRP X 82 79.759 4.914 1.298 1.00 0.00 H new ATOM 0 HZ2 TRP X 82 81.813 6.837 -2.813 1.00 0.00 H new ATOM 0 HZ3 TRP X 82 79.493 7.292 0.753 1.00 0.00 H new ATOM 0 HH2 TRP X 82 80.493 8.235 -1.279 1.00 0.00 H new ATOM 1220 N ARG X 83 81.026 3.346 3.245 1.00 0.00 N ATOM 1221 CA ARG X 83 80.825 4.534 4.031 1.00 0.00 C ATOM 1222 C ARG X 83 81.976 4.683 5.033 1.00 0.00 C ATOM 1223 O ARG X 83 82.561 5.764 5.163 1.00 0.00 O ATOM 1224 CB ARG X 83 79.509 4.396 4.778 1.00 0.00 C ATOM 1225 CG ARG X 83 78.864 5.683 5.205 1.00 0.00 C ATOM 1226 CD ARG X 83 78.196 6.478 4.074 1.00 0.00 C ATOM 1227 NE ARG X 83 77.552 7.682 4.643 1.00 0.00 N ATOM 1228 CZ ARG X 83 77.263 8.842 4.021 1.00 0.00 C ATOM 1229 NH1 ARG X 83 77.306 8.946 2.699 1.00 0.00 N ATOM 1230 NH2 ARG X 83 76.845 9.874 4.750 1.00 0.00 N ATOM 0 H ARG X 83 80.280 2.659 3.351 1.00 0.00 H new ATOM 0 HA ARG X 83 80.799 5.414 3.388 1.00 0.00 H new ATOM 0 HB2 ARG X 83 78.808 3.853 4.144 1.00 0.00 H new ATOM 0 HB3 ARG X 83 79.678 3.784 5.664 1.00 0.00 H new ATOM 0 HG2 ARG X 83 78.115 5.462 5.966 1.00 0.00 H new ATOM 0 HG3 ARG X 83 79.620 6.313 5.675 1.00 0.00 H new ATOM 0 HD2 ARG X 83 78.937 6.765 3.328 1.00 0.00 H new ATOM 0 HD3 ARG X 83 77.455 5.860 3.566 1.00 0.00 H new ATOM 0 HE ARG X 83 77.295 7.627 5.629 1.00 0.00 H new ATOM 0 HH11 ARG X 83 77.562 8.138 2.132 1.00 0.00 H new ATOM 0 HH12 ARG X 83 77.083 9.834 2.250 1.00 0.00 H new ATOM 0 HH21 ARG X 83 76.748 9.778 5.761 1.00 0.00 H new ATOM 0 HH22 ARG X 83 76.621 10.760 4.298 1.00 0.00 H new ATOM 1244 N ALA X 84 82.317 3.577 5.692 1.00 0.00 N ATOM 1245 CA ALA X 84 83.401 3.536 6.673 1.00 0.00 C ATOM 1246 C ALA X 84 84.761 3.743 6.017 1.00 0.00 C ATOM 1247 O ALA X 84 85.633 4.419 6.579 1.00 0.00 O ATOM 1248 CB ALA X 84 83.379 2.223 7.447 1.00 0.00 C ATOM 0 H ALA X 84 81.848 2.681 5.560 1.00 0.00 H new ATOM 0 HA ALA X 84 83.240 4.357 7.372 1.00 0.00 H new ATOM 0 HB1 ALA X 84 84.194 2.214 8.171 1.00 0.00 H new ATOM 0 HB2 ALA X 84 82.428 2.125 7.970 1.00 0.00 H new ATOM 0 HB3 ALA X 84 83.500 1.390 6.754 1.00 0.00 H new ATOM 1254 N ALA X 85 84.942 3.172 4.828 1.00 0.00 N ATOM 1255 CA ALA X 85 86.195 3.312 4.096 1.00 0.00 C ATOM 1256 C ALA X 85 86.409 4.750 3.661 1.00 0.00 C ATOM 1257 O ALA X 85 87.536 5.248 3.674 1.00 0.00 O ATOM 1258 CB ALA X 85 86.239 2.383 2.897 1.00 0.00 C ATOM 0 H ALA X 85 84.237 2.609 4.353 1.00 0.00 H new ATOM 0 HA ALA X 85 87.004 3.031 4.770 1.00 0.00 H new ATOM 0 HB1 ALA X 85 87.186 2.511 2.372 1.00 0.00 H new ATOM 0 HB2 ALA X 85 86.147 1.350 3.233 1.00 0.00 H new ATOM 0 HB3 ALA X 85 85.416 2.619 2.223 1.00 0.00 H new ATOM 1264 N ASN X 86 85.334 5.421 3.285 1.00 0.00 N ATOM 1265 CA ASN X 86 85.418 6.826 2.895 1.00 0.00 C ATOM 1266 C ASN X 86 85.649 7.672 4.135 1.00 0.00 C ATOM 1267 O ASN X 86 86.513 8.545 4.168 1.00 0.00 O ATOM 1268 CB ASN X 86 84.124 7.311 2.216 1.00 0.00 C ATOM 1269 CG ASN X 86 84.261 8.723 1.660 1.00 0.00 C ATOM 1270 OD1 ASN X 86 84.104 9.705 2.378 1.00 0.00 O ATOM 1271 ND2 ASN X 86 84.457 8.835 0.381 1.00 0.00 N ATOM 0 H ASN X 86 84.396 5.023 3.240 1.00 0.00 H new ATOM 0 HA ASN X 86 86.240 6.925 2.187 1.00 0.00 H new ATOM 0 HB2 ASN X 86 83.861 6.628 1.408 1.00 0.00 H new ATOM 0 HB3 ASN X 86 83.306 7.283 2.935 1.00 0.00 H new ATOM 0 HD21 ASN X 86 84.484 9.758 -0.052 1.00 0.00 H new ATOM 0 HD22 ASN X 86 84.584 8.000 -0.190 1.00 0.00 H new ATOM 1278 N GLY X 87 84.887 7.377 5.159 1.00 0.00 N ATOM 1279 CA GLY X 87 84.952 8.125 6.378 1.00 0.00 C ATOM 1280 C GLY X 87 83.708 8.951 6.546 1.00 0.00 C ATOM 1281 O GLY X 87 83.760 10.084 7.019 1.00 0.00 O ATOM 0 H GLY X 87 84.209 6.615 5.166 1.00 0.00 H new ATOM 0 HA2 GLY X 87 85.064 7.447 7.224 1.00 0.00 H new ATOM 0 HA3 GLY X 87 85.829 8.772 6.370 1.00 0.00 H new ATOM 1285 N LYS X 88 82.583 8.385 6.146 1.00 0.00 N ATOM 1286 CA LYS X 88 81.351 9.029 6.201 1.00 0.00 C ATOM 1287 C LYS X 88 80.471 8.330 7.238 1.00 0.00 C ATOM 1288 O LYS X 88 80.563 7.104 7.393 1.00 0.00 O ATOM 1289 CB LYS X 88 80.732 8.944 4.809 1.00 0.00 C ATOM 1290 CG LYS X 88 81.334 9.897 3.782 1.00 0.00 C ATOM 1291 CD LYS X 88 80.738 9.729 2.370 1.00 0.00 C ATOM 1292 CE LYS X 88 81.331 10.768 1.406 1.00 0.00 C ATOM 1293 NZ LYS X 88 80.695 10.788 0.060 1.00 0.00 N ATOM 0 H LYS X 88 82.536 7.438 5.769 1.00 0.00 H new ATOM 0 HA LYS X 88 81.453 10.074 6.494 1.00 0.00 H new ATOM 0 HB2 LYS X 88 80.837 7.923 4.442 1.00 0.00 H new ATOM 0 HB3 LYS X 88 79.664 9.146 4.889 1.00 0.00 H new ATOM 0 HG2 LYS X 88 81.179 10.923 4.114 1.00 0.00 H new ATOM 0 HG3 LYS X 88 82.411 9.737 3.735 1.00 0.00 H new ATOM 0 HD2 LYS X 88 80.942 8.724 2.000 1.00 0.00 H new ATOM 0 HD3 LYS X 88 79.654 9.840 2.411 1.00 0.00 H new ATOM 0 HE2 LYS X 88 81.237 11.757 1.854 1.00 0.00 H new ATOM 0 HE3 LYS X 88 82.397 10.571 1.289 1.00 0.00 H new ATOM 0 HZ1 LYS X 88 80.935 11.677 -0.424 1.00 0.00 H new ATOM 0 HZ2 LYS X 88 81.043 9.984 -0.500 1.00 0.00 H new ATOM 0 HZ3 LYS X 88 79.662 10.718 0.163 1.00 0.00 H new ATOM 1307 N PRO X 89 79.649 9.086 7.988 1.00 0.00 N ATOM 1308 CA PRO X 89 78.717 8.505 8.968 1.00 0.00 C ATOM 1309 C PRO X 89 77.659 7.672 8.261 1.00 0.00 C ATOM 1310 O PRO X 89 77.059 8.132 7.272 1.00 0.00 O ATOM 1311 CB PRO X 89 78.068 9.730 9.638 1.00 0.00 C ATOM 1312 CG PRO X 89 78.300 10.864 8.693 1.00 0.00 C ATOM 1313 CD PRO X 89 79.579 10.561 7.967 1.00 0.00 C ATOM 0 HA PRO X 89 79.213 7.846 9.681 1.00 0.00 H new ATOM 0 HB2 PRO X 89 77.003 9.569 9.805 1.00 0.00 H new ATOM 0 HB3 PRO X 89 78.517 9.930 10.611 1.00 0.00 H new ATOM 0 HG2 PRO X 89 77.470 10.961 7.993 1.00 0.00 H new ATOM 0 HG3 PRO X 89 78.374 11.809 9.232 1.00 0.00 H new ATOM 0 HD2 PRO X 89 79.563 10.947 6.948 1.00 0.00 H new ATOM 0 HD3 PRO X 89 80.439 11.010 8.464 1.00 0.00 H new ATOM 1321 N GLY X 90 77.440 6.476 8.730 1.00 0.00 N ATOM 1322 CA GLY X 90 76.512 5.607 8.077 1.00 0.00 C ATOM 1323 C GLY X 90 75.314 5.298 8.920 1.00 0.00 C ATOM 1324 O GLY X 90 74.554 6.199 9.272 1.00 0.00 O ATOM 0 H GLY X 90 77.890 6.085 9.558 1.00 0.00 H new ATOM 0 HA2 GLY X 90 76.185 6.067 7.144 1.00 0.00 H new ATOM 0 HA3 GLY X 90 77.016 4.677 7.814 1.00 0.00 H new ATOM 1328 N PHE X 91 75.170 4.037 9.276 1.00 0.00 N ATOM 1329 CA PHE X 91 73.997 3.568 10.003 1.00 0.00 C ATOM 1330 C PHE X 91 74.098 3.902 11.460 1.00 0.00 C ATOM 1331 O PHE X 91 75.196 3.893 12.040 1.00 0.00 O ATOM 1332 CB PHE X 91 73.836 2.050 9.888 1.00 0.00 C ATOM 1333 CG PHE X 91 73.851 1.518 8.498 1.00 0.00 C ATOM 1334 CD1 PHE X 91 73.127 2.127 7.498 1.00 0.00 C ATOM 1335 CD2 PHE X 91 74.604 0.402 8.192 1.00 0.00 C ATOM 1336 CE1 PHE X 91 73.153 1.634 6.223 1.00 0.00 C ATOM 1337 CE2 PHE X 91 74.630 -0.096 6.914 1.00 0.00 C ATOM 1338 CZ PHE X 91 73.906 0.520 5.928 1.00 0.00 C ATOM 0 H PHE X 91 75.855 3.309 9.073 1.00 0.00 H new ATOM 0 HA PHE X 91 73.138 4.069 9.557 1.00 0.00 H new ATOM 0 HB2 PHE X 91 74.636 1.571 10.453 1.00 0.00 H new ATOM 0 HB3 PHE X 91 72.897 1.763 10.361 1.00 0.00 H new ATOM 0 HD1 PHE X 91 72.534 3.001 7.722 1.00 0.00 H new ATOM 0 HD2 PHE X 91 75.178 -0.084 8.967 1.00 0.00 H new ATOM 0 HE1 PHE X 91 72.582 2.120 5.446 1.00 0.00 H new ATOM 0 HE2 PHE X 91 75.220 -0.972 6.686 1.00 0.00 H new ATOM 0 HZ PHE X 91 73.926 0.132 4.920 1.00 0.00 H new ATOM 1348 N LYS X 92 72.977 4.184 12.054 1.00 0.00 N ATOM 1349 CA LYS X 92 72.917 4.408 13.418 1.00 0.00 C ATOM 1350 C LYS X 92 72.481 3.127 14.093 1.00 0.00 C ATOM 1351 O LYS X 92 72.114 2.138 13.431 1.00 0.00 O ATOM 1352 CB LYS X 92 71.940 5.514 13.725 1.00 0.00 C ATOM 1353 CG LYS X 92 70.496 5.121 13.743 1.00 0.00 C ATOM 1354 CD LYS X 92 69.669 6.196 14.400 1.00 0.00 C ATOM 1355 CE LYS X 92 68.277 5.706 14.591 1.00 0.00 C ATOM 1356 NZ LYS X 92 67.395 6.700 15.229 1.00 0.00 N ATOM 0 H LYS X 92 72.080 4.260 11.574 1.00 0.00 H new ATOM 0 HA LYS X 92 73.897 4.710 13.787 1.00 0.00 H new ATOM 0 HB2 LYS X 92 72.194 5.938 14.697 1.00 0.00 H new ATOM 0 HB3 LYS X 92 72.073 6.305 12.987 1.00 0.00 H new ATOM 0 HG2 LYS X 92 70.145 4.954 12.725 1.00 0.00 H new ATOM 0 HG3 LYS X 92 70.375 4.180 14.280 1.00 0.00 H new ATOM 0 HD2 LYS X 92 70.105 6.468 15.361 1.00 0.00 H new ATOM 0 HD3 LYS X 92 69.668 7.096 13.784 1.00 0.00 H new ATOM 0 HE2 LYS X 92 67.860 5.428 13.623 1.00 0.00 H new ATOM 0 HE3 LYS X 92 68.297 4.803 15.201 1.00 0.00 H new ATOM 0 HZ1 LYS X 92 66.419 6.340 15.243 1.00 0.00 H new ATOM 0 HZ2 LYS X 92 67.714 6.872 16.204 1.00 0.00 H new ATOM 0 HZ3 LYS X 92 67.428 7.590 14.691 1.00 0.00 H new ATOM 1370 N GLN X 93 72.524 3.131 15.367 1.00 0.00 N ATOM 1371 CA GLN X 93 72.092 2.039 16.145 1.00 0.00 C ATOM 1372 C GLN X 93 70.652 2.283 16.557 1.00 0.00 C ATOM 1373 O GLN X 93 70.230 3.431 16.694 1.00 0.00 O ATOM 1374 CB GLN X 93 72.962 1.927 17.375 1.00 0.00 C ATOM 1375 CG GLN X 93 74.361 1.309 17.195 1.00 0.00 C ATOM 1376 CD GLN X 93 75.305 2.132 16.343 1.00 0.00 C ATOM 1377 OE1 GLN X 93 75.998 3.000 16.848 1.00 0.00 O ATOM 1378 NE2 GLN X 93 75.375 1.839 15.075 1.00 0.00 N ATOM 0 H GLN X 93 72.871 3.918 15.915 1.00 0.00 H new ATOM 0 HA GLN X 93 72.163 1.114 15.573 1.00 0.00 H new ATOM 0 HB2 GLN X 93 73.086 2.926 17.793 1.00 0.00 H new ATOM 0 HB3 GLN X 93 72.424 1.335 18.116 1.00 0.00 H new ATOM 0 HG2 GLN X 93 74.810 1.165 18.178 1.00 0.00 H new ATOM 0 HG3 GLN X 93 74.253 0.322 16.746 1.00 0.00 H new ATOM 0 HE21 GLN X 93 74.780 1.107 14.687 1.00 0.00 H new ATOM 0 HE22 GLN X 93 76.025 2.342 14.471 1.00 0.00 H new ATOM 1387 N GLY X 94 69.912 1.235 16.700 1.00 0.00 N ATOM 1388 CA GLY X 94 68.543 1.328 17.131 1.00 0.00 C ATOM 1389 C GLY X 94 67.778 0.176 16.572 1.00 0.00 C ATOM 1390 O GLY X 94 66.558 0.284 16.338 1.00 0.00 O ATOM 1391 OXT GLY X 94 68.416 -0.864 16.304 1.00 0.00 O ATOM 0 H GLY X 94 70.233 0.283 16.523 1.00 0.00 H new ATOM 0 HA2 GLY X 94 68.490 1.322 18.220 1.00 0.00 H new ATOM 0 HA3 GLY X 94 68.106 2.268 16.796 1.00 0.00 H new