USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 688 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 86 ASN : amide:sc= -0.204 K(o=-3.4,f=-4) USER MOD Set 1.2: X 88 LYS NZ :NH3+ 175:sc= -3.22! (180deg=-3.42!) USER MOD Single : X 4 LYS NZ :NH3+ -157:sc= 1.28 (180deg=0.218) USER MOD Single : X 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 6 SER OG : rot 180:sc= 0 USER MOD Single : X 8 SER OG : rot 180:sc= 0 USER MOD Single : X 10 TYR OH : rot 180:sc= -3.75! USER MOD Single : X 11 THR OG1 : rot 180:sc=-0.00917 USER MOD Single : X 17 GLN : amide:sc= 2.36 K(o=2.4,f=-0.46) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 26 ASN : amide:sc= 0 K(o=0,f=0.6) USER MOD Single : X 30 THR OG1 : rot 134:sc= -3.82! USER MOD Single : X 40 HIS : no HD1:sc= -0.163 X(o=-0.16,f=-0.2) USER MOD Single : X 43 LYS NZ :NH3+ -130:sc= 0.796 (180deg=0.364) USER MOD Single : X 45 THR OG1 : rot 50:sc= -1.26 USER MOD Single : X 47 HIS : no HD1:sc= -3.31 X(o=-3.3,f=-3.3!) USER MOD Single : X 51 THR OG1 : rot 180:sc= 0.0179 USER MOD Single : X 55 TYR OH : rot 180:sc= 0 USER MOD Single : X 64 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : X 77 LYS NZ :NH3+ -109:sc= 0.992 (180deg=-0.736!) USER MOD Single : X 80 LYS NZ :NH3+ -114:sc= 0.577 (180deg=-0.754) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 GLN : amide:sc= -1.61! K(o=-1.6!,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU X 2 61.331 1.837 7.449 1.00 0.00 N ATOM 2 CA GLU X 2 60.561 3.021 7.075 1.00 0.00 C ATOM 3 C GLU X 2 61.487 4.035 6.449 1.00 0.00 C ATOM 4 O GLU X 2 62.695 3.788 6.318 1.00 0.00 O ATOM 5 CB GLU X 2 59.864 3.619 8.300 1.00 0.00 C ATOM 6 CG GLU X 2 58.917 2.660 8.992 1.00 0.00 C ATOM 7 CD GLU X 2 57.854 2.145 8.063 1.00 0.00 C ATOM 8 OE1 GLU X 2 58.093 1.140 7.386 1.00 0.00 O ATOM 9 OE2 GLU X 2 56.780 2.747 7.984 1.00 0.00 O ATOM 0 HA GLU X 2 59.792 2.738 6.356 1.00 0.00 H new ATOM 0 HB2 GLU X 2 60.620 3.946 9.013 1.00 0.00 H new ATOM 0 HB3 GLU X 2 59.309 4.506 7.994 1.00 0.00 H new ATOM 0 HG2 GLU X 2 59.483 1.820 9.395 1.00 0.00 H new ATOM 0 HG3 GLU X 2 58.447 3.163 9.837 1.00 0.00 H new ATOM 16 N LEU X 3 60.943 5.152 6.054 1.00 0.00 N ATOM 17 CA LEU X 3 61.708 6.180 5.419 1.00 0.00 C ATOM 18 C LEU X 3 62.116 7.256 6.363 1.00 0.00 C ATOM 19 O LEU X 3 61.310 7.782 7.142 1.00 0.00 O ATOM 20 CB LEU X 3 60.966 6.774 4.239 1.00 0.00 C ATOM 21 CG LEU X 3 60.959 5.934 2.984 1.00 0.00 C ATOM 22 CD1 LEU X 3 60.065 6.564 1.933 1.00 0.00 C ATOM 23 CD2 LEU X 3 62.367 5.841 2.456 1.00 0.00 C ATOM 0 H LEU X 3 59.953 5.373 6.165 1.00 0.00 H new ATOM 0 HA LEU X 3 62.617 5.700 5.056 1.00 0.00 H new ATOM 0 HB2 LEU X 3 59.934 6.959 4.537 1.00 0.00 H new ATOM 0 HB3 LEU X 3 61.408 7.742 4.004 1.00 0.00 H new ATOM 0 HG LEU X 3 60.577 4.940 3.216 1.00 0.00 H new ATOM 0 HD11 LEU X 3 60.070 5.947 1.034 1.00 0.00 H new ATOM 0 HD12 LEU X 3 59.048 6.637 2.317 1.00 0.00 H new ATOM 0 HD13 LEU X 3 60.434 7.561 1.691 1.00 0.00 H new ATOM 0 HD21 LEU X 3 62.376 5.237 1.549 1.00 0.00 H new ATOM 0 HD22 LEU X 3 62.737 6.841 2.230 1.00 0.00 H new ATOM 0 HD23 LEU X 3 63.007 5.378 3.207 1.00 0.00 H new ATOM 35 N LYS X 4 63.366 7.562 6.322 1.00 0.00 N ATOM 36 CA LYS X 4 63.907 8.634 7.076 1.00 0.00 C ATOM 37 C LYS X 4 64.081 9.775 6.110 1.00 0.00 C ATOM 38 O LYS X 4 63.358 9.850 5.112 1.00 0.00 O ATOM 39 CB LYS X 4 65.264 8.237 7.669 1.00 0.00 C ATOM 40 CG LYS X 4 65.292 6.921 8.431 1.00 0.00 C ATOM 41 CD LYS X 4 64.059 6.707 9.236 1.00 0.00 C ATOM 42 CE LYS X 4 64.324 5.733 10.349 1.00 0.00 C ATOM 43 NZ LYS X 4 63.097 5.299 11.037 1.00 0.00 N ATOM 0 H LYS X 4 64.051 7.065 5.753 1.00 0.00 H new ATOM 0 HA LYS X 4 63.254 8.905 7.906 1.00 0.00 H new ATOM 0 HB2 LYS X 4 65.991 8.182 6.859 1.00 0.00 H new ATOM 0 HB3 LYS X 4 65.593 9.031 8.340 1.00 0.00 H new ATOM 0 HG2 LYS X 4 65.410 6.098 7.726 1.00 0.00 H new ATOM 0 HG3 LYS X 4 66.160 6.904 9.089 1.00 0.00 H new ATOM 0 HD2 LYS X 4 63.717 7.656 9.648 1.00 0.00 H new ATOM 0 HD3 LYS X 4 63.260 6.331 8.597 1.00 0.00 H new ATOM 0 HE2 LYS X 4 64.836 4.859 9.946 1.00 0.00 H new ATOM 0 HE3 LYS X 4 64.997 6.191 11.073 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 63.335 4.965 11.993 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 62.435 6.098 11.104 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 62.653 4.526 10.501 1.00 0.00 H new ATOM 57 N ASN X 5 64.941 10.694 6.413 1.00 0.00 N ATOM 58 CA ASN X 5 65.289 11.702 5.445 1.00 0.00 C ATOM 59 C ASN X 5 66.770 11.657 5.154 1.00 0.00 C ATOM 60 O ASN X 5 67.219 12.106 4.104 1.00 0.00 O ATOM 61 CB ASN X 5 64.829 13.106 5.842 1.00 0.00 C ATOM 62 CG ASN X 5 63.319 13.211 5.950 1.00 0.00 C ATOM 63 OD1 ASN X 5 62.747 13.083 7.043 1.00 0.00 O ATOM 64 ND2 ASN X 5 62.659 13.399 4.833 1.00 0.00 N ATOM 0 H ASN X 5 65.415 10.774 7.313 1.00 0.00 H new ATOM 0 HA ASN X 5 64.746 11.469 4.529 1.00 0.00 H new ATOM 0 HB2 ASN X 5 65.279 13.376 6.798 1.00 0.00 H new ATOM 0 HB3 ASN X 5 65.189 13.825 5.106 1.00 0.00 H new ATOM 0 HD21 ASN X 5 61.640 13.444 4.844 1.00 0.00 H new ATOM 0 HD22 ASN X 5 63.164 13.500 3.953 1.00 0.00 H new ATOM 71 N SER X 6 67.520 11.069 6.063 1.00 0.00 N ATOM 72 CA SER X 6 68.937 10.938 5.905 1.00 0.00 C ATOM 73 C SER X 6 69.409 9.572 6.415 1.00 0.00 C ATOM 74 O SER X 6 68.676 8.880 7.144 1.00 0.00 O ATOM 75 CB SER X 6 69.654 12.064 6.644 1.00 0.00 C ATOM 76 OG SER X 6 69.298 12.074 8.032 1.00 0.00 O ATOM 0 H SER X 6 67.156 10.671 6.929 1.00 0.00 H new ATOM 0 HA SER X 6 69.179 11.009 4.845 1.00 0.00 H new ATOM 0 HB2 SER X 6 70.732 11.942 6.542 1.00 0.00 H new ATOM 0 HB3 SER X 6 69.397 13.022 6.192 1.00 0.00 H new ATOM 0 HG SER X 6 69.771 12.803 8.486 1.00 0.00 H new ATOM 82 N ILE X 7 70.641 9.213 6.057 1.00 0.00 N ATOM 83 CA ILE X 7 71.282 7.940 6.425 1.00 0.00 C ATOM 84 C ILE X 7 71.470 7.855 7.954 1.00 0.00 C ATOM 85 O ILE X 7 71.497 6.782 8.539 1.00 0.00 O ATOM 86 CB ILE X 7 72.689 7.824 5.717 1.00 0.00 C ATOM 87 CG1 ILE X 7 73.316 6.438 5.882 1.00 0.00 C ATOM 88 CG2 ILE X 7 73.662 8.896 6.195 1.00 0.00 C ATOM 89 CD1 ILE X 7 72.618 5.351 5.109 1.00 0.00 C ATOM 0 H ILE X 7 71.241 9.811 5.488 1.00 0.00 H new ATOM 0 HA ILE X 7 70.640 7.121 6.100 1.00 0.00 H new ATOM 0 HB ILE X 7 72.497 7.982 4.656 1.00 0.00 H new ATOM 0 HG12 ILE X 7 74.358 6.482 5.565 1.00 0.00 H new ATOM 0 HG13 ILE X 7 73.315 6.174 6.940 1.00 0.00 H new ATOM 0 HG21 ILE X 7 74.616 8.777 5.681 1.00 0.00 H new ATOM 0 HG22 ILE X 7 73.253 9.882 5.976 1.00 0.00 H new ATOM 0 HG23 ILE X 7 73.814 8.796 7.270 1.00 0.00 H new ATOM 0 HD11 ILE X 7 73.124 4.401 5.280 1.00 0.00 H new ATOM 0 HD12 ILE X 7 71.583 5.276 5.441 1.00 0.00 H new ATOM 0 HD13 ILE X 7 72.641 5.588 4.045 1.00 0.00 H new ATOM 101 N SER X 8 71.500 9.007 8.582 1.00 0.00 N ATOM 102 CA SER X 8 71.805 9.138 9.976 1.00 0.00 C ATOM 103 C SER X 8 70.664 8.671 10.878 1.00 0.00 C ATOM 104 O SER X 8 70.871 8.412 12.065 1.00 0.00 O ATOM 105 CB SER X 8 72.167 10.587 10.247 1.00 0.00 C ATOM 106 OG SER X 8 73.266 10.970 9.419 1.00 0.00 O ATOM 0 H SER X 8 71.308 9.896 8.121 1.00 0.00 H new ATOM 0 HA SER X 8 72.647 8.487 10.214 1.00 0.00 H new ATOM 0 HB2 SER X 8 71.309 11.230 10.050 1.00 0.00 H new ATOM 0 HB3 SER X 8 72.428 10.717 11.297 1.00 0.00 H new ATOM 0 HG SER X 8 73.497 11.906 9.594 1.00 0.00 H new ATOM 112 N ASP X 9 69.479 8.536 10.326 1.00 0.00 N ATOM 113 CA ASP X 9 68.342 8.105 11.127 1.00 0.00 C ATOM 114 C ASP X 9 68.065 6.642 10.832 1.00 0.00 C ATOM 115 O ASP X 9 67.154 6.034 11.381 1.00 0.00 O ATOM 116 CB ASP X 9 67.110 8.945 10.793 1.00 0.00 C ATOM 117 CG ASP X 9 66.035 8.903 11.855 1.00 0.00 C ATOM 118 OD1 ASP X 9 66.324 9.247 13.026 1.00 0.00 O ATOM 119 OD2 ASP X 9 64.879 8.599 11.545 1.00 0.00 O ATOM 0 H ASP X 9 69.273 8.714 9.343 1.00 0.00 H new ATOM 0 HA ASP X 9 68.570 8.235 12.185 1.00 0.00 H new ATOM 0 HB2 ASP X 9 67.418 9.980 10.642 1.00 0.00 H new ATOM 0 HB3 ASP X 9 66.689 8.596 9.850 1.00 0.00 H new ATOM 124 N TYR X 10 68.904 6.067 10.010 1.00 0.00 N ATOM 125 CA TYR X 10 68.719 4.714 9.553 1.00 0.00 C ATOM 126 C TYR X 10 69.520 3.758 10.355 1.00 0.00 C ATOM 127 O TYR X 10 70.728 3.867 10.414 1.00 0.00 O ATOM 128 CB TYR X 10 69.096 4.544 8.068 1.00 0.00 C ATOM 129 CG TYR X 10 67.961 4.741 7.099 1.00 0.00 C ATOM 130 CD1 TYR X 10 67.024 3.740 6.926 1.00 0.00 C ATOM 131 CD2 TYR X 10 67.824 5.903 6.356 1.00 0.00 C ATOM 132 CE1 TYR X 10 65.974 3.883 6.059 1.00 0.00 C ATOM 133 CE2 TYR X 10 66.767 6.055 5.471 1.00 0.00 C ATOM 134 CZ TYR X 10 65.848 5.034 5.335 1.00 0.00 C ATOM 135 OH TYR X 10 64.780 5.182 4.511 1.00 0.00 O ATOM 0 H TYR X 10 69.736 6.524 9.638 1.00 0.00 H new ATOM 0 HA TYR X 10 67.657 4.499 9.675 1.00 0.00 H new ATOM 0 HB2 TYR X 10 69.888 5.253 7.826 1.00 0.00 H new ATOM 0 HB3 TYR X 10 69.507 3.545 7.925 1.00 0.00 H new ATOM 0 HD1 TYR X 10 67.122 2.823 7.488 1.00 0.00 H new ATOM 0 HD2 TYR X 10 68.547 6.697 6.467 1.00 0.00 H new ATOM 0 HE1 TYR X 10 65.249 3.090 5.948 1.00 0.00 H new ATOM 0 HE2 TYR X 10 66.664 6.962 4.894 1.00 0.00 H new ATOM 0 HH TYR X 10 64.829 6.053 4.065 1.00 0.00 H new ATOM 145 N THR X 11 68.858 2.852 11.013 1.00 0.00 N ATOM 146 CA THR X 11 69.539 1.758 11.613 1.00 0.00 C ATOM 147 C THR X 11 69.785 0.786 10.490 1.00 0.00 C ATOM 148 O THR X 11 69.157 0.921 9.413 1.00 0.00 O ATOM 149 CB THR X 11 68.672 1.078 12.693 1.00 0.00 C ATOM 150 OG1 THR X 11 67.370 0.800 12.165 1.00 0.00 O ATOM 151 CG2 THR X 11 68.550 1.933 13.935 1.00 0.00 C ATOM 0 H THR X 11 67.846 2.855 11.144 1.00 0.00 H new ATOM 0 HA THR X 11 70.455 2.089 12.102 1.00 0.00 H new ATOM 0 HB THR X 11 69.163 0.147 12.977 1.00 0.00 H new ATOM 0 HG1 THR X 11 66.823 0.367 12.853 1.00 0.00 H new ATOM 0 HG21 THR X 11 67.932 1.419 14.671 1.00 0.00 H new ATOM 0 HG22 THR X 11 69.541 2.110 14.353 1.00 0.00 H new ATOM 0 HG23 THR X 11 68.089 2.886 13.677 1.00 0.00 H new ATOM 159 N GLU X 12 70.655 -0.167 10.683 1.00 0.00 N ATOM 160 CA GLU X 12 70.891 -1.132 9.641 1.00 0.00 C ATOM 161 C GLU X 12 69.610 -1.880 9.273 1.00 0.00 C ATOM 162 O GLU X 12 69.320 -2.047 8.113 1.00 0.00 O ATOM 163 CB GLU X 12 72.044 -2.069 9.972 1.00 0.00 C ATOM 164 CG GLU X 12 72.017 -2.629 11.374 1.00 0.00 C ATOM 165 CD GLU X 12 73.086 -3.651 11.581 1.00 0.00 C ATOM 166 OE1 GLU X 12 72.858 -4.833 11.276 1.00 0.00 O ATOM 167 OE2 GLU X 12 74.184 -3.295 12.038 1.00 0.00 O ATOM 0 H GLU X 12 71.203 -0.297 11.533 1.00 0.00 H new ATOM 0 HA GLU X 12 71.201 -0.581 8.753 1.00 0.00 H new ATOM 0 HB2 GLU X 12 72.036 -2.898 9.264 1.00 0.00 H new ATOM 0 HB3 GLU X 12 72.983 -1.534 9.827 1.00 0.00 H new ATOM 0 HG2 GLU X 12 72.144 -1.819 12.092 1.00 0.00 H new ATOM 0 HG3 GLU X 12 71.043 -3.077 11.568 1.00 0.00 H new ATOM 174 N ALA X 13 68.809 -2.233 10.264 1.00 0.00 N ATOM 175 CA ALA X 13 67.552 -2.930 10.015 1.00 0.00 C ATOM 176 C ALA X 13 66.505 -2.017 9.339 1.00 0.00 C ATOM 177 O ALA X 13 65.775 -2.471 8.471 1.00 0.00 O ATOM 178 CB ALA X 13 67.017 -3.570 11.275 1.00 0.00 C ATOM 0 H ALA X 13 69.004 -2.050 11.248 1.00 0.00 H new ATOM 0 HA ALA X 13 67.764 -3.733 9.309 1.00 0.00 H new ATOM 0 HB1 ALA X 13 66.080 -4.081 11.054 1.00 0.00 H new ATOM 0 HB2 ALA X 13 67.742 -4.290 11.653 1.00 0.00 H new ATOM 0 HB3 ALA X 13 66.842 -2.801 12.028 1.00 0.00 H new ATOM 184 N GLU X 14 66.434 -0.733 9.733 1.00 0.00 N ATOM 185 CA GLU X 14 65.533 0.228 9.048 1.00 0.00 C ATOM 186 C GLU X 14 65.892 0.331 7.592 1.00 0.00 C ATOM 187 O GLU X 14 65.022 0.425 6.710 1.00 0.00 O ATOM 188 CB GLU X 14 65.609 1.624 9.682 1.00 0.00 C ATOM 189 CG GLU X 14 64.541 1.884 10.712 1.00 0.00 C ATOM 190 CD GLU X 14 63.176 1.928 10.084 1.00 0.00 C ATOM 191 OE1 GLU X 14 62.751 3.012 9.635 1.00 0.00 O ATOM 192 OE2 GLU X 14 62.514 0.892 9.999 1.00 0.00 O ATOM 0 H GLU X 14 66.973 -0.338 10.503 1.00 0.00 H new ATOM 0 HA GLU X 14 64.515 -0.148 9.155 1.00 0.00 H new ATOM 0 HB2 GLU X 14 66.587 1.749 10.147 1.00 0.00 H new ATOM 0 HB3 GLU X 14 65.532 2.375 8.895 1.00 0.00 H new ATOM 0 HG2 GLU X 14 64.569 1.104 11.473 1.00 0.00 H new ATOM 0 HG3 GLU X 14 64.742 2.829 11.217 1.00 0.00 H new ATOM 199 N PHE X 15 67.167 0.290 7.350 1.00 0.00 N ATOM 200 CA PHE X 15 67.699 0.392 6.045 1.00 0.00 C ATOM 201 C PHE X 15 67.429 -0.909 5.275 1.00 0.00 C ATOM 202 O PHE X 15 66.944 -0.863 4.150 1.00 0.00 O ATOM 203 CB PHE X 15 69.184 0.709 6.156 1.00 0.00 C ATOM 204 CG PHE X 15 69.840 1.196 4.911 1.00 0.00 C ATOM 205 CD1 PHE X 15 69.741 2.522 4.534 1.00 0.00 C ATOM 206 CD2 PHE X 15 70.588 0.349 4.149 1.00 0.00 C ATOM 207 CE1 PHE X 15 70.385 2.982 3.409 1.00 0.00 C ATOM 208 CE2 PHE X 15 71.232 0.794 3.020 1.00 0.00 C ATOM 209 CZ PHE X 15 71.130 2.117 2.652 1.00 0.00 C ATOM 0 H PHE X 15 67.874 0.182 8.078 1.00 0.00 H new ATOM 0 HA PHE X 15 67.221 1.196 5.485 1.00 0.00 H new ATOM 0 HB2 PHE X 15 69.318 1.462 6.933 1.00 0.00 H new ATOM 0 HB3 PHE X 15 69.704 -0.189 6.490 1.00 0.00 H new ATOM 0 HD1 PHE X 15 69.152 3.204 5.129 1.00 0.00 H new ATOM 0 HD2 PHE X 15 70.676 -0.688 4.437 1.00 0.00 H new ATOM 0 HE1 PHE X 15 70.304 4.020 3.124 1.00 0.00 H new ATOM 0 HE2 PHE X 15 71.816 0.109 2.423 1.00 0.00 H new ATOM 0 HZ PHE X 15 71.637 2.472 1.767 1.00 0.00 H new ATOM 219 N VAL X 16 67.684 -2.070 5.910 1.00 0.00 N ATOM 220 CA VAL X 16 67.429 -3.358 5.253 1.00 0.00 C ATOM 221 C VAL X 16 65.944 -3.521 4.934 1.00 0.00 C ATOM 222 O VAL X 16 65.602 -4.095 3.912 1.00 0.00 O ATOM 223 CB VAL X 16 67.955 -4.629 6.031 1.00 0.00 C ATOM 224 CG1 VAL X 16 69.397 -4.540 6.435 1.00 0.00 C ATOM 225 CG2 VAL X 16 67.070 -5.074 7.172 1.00 0.00 C ATOM 0 H VAL X 16 68.058 -2.139 6.856 1.00 0.00 H new ATOM 0 HA VAL X 16 68.014 -3.316 4.334 1.00 0.00 H new ATOM 0 HB VAL X 16 67.895 -5.424 5.288 1.00 0.00 H new ATOM 0 HG11 VAL X 16 69.684 -5.449 6.964 1.00 0.00 H new ATOM 0 HG12 VAL X 16 70.018 -4.426 5.546 1.00 0.00 H new ATOM 0 HG13 VAL X 16 69.539 -3.680 7.089 1.00 0.00 H new ATOM 0 HG21 VAL X 16 67.506 -5.951 7.650 1.00 0.00 H new ATOM 0 HG22 VAL X 16 66.984 -4.269 7.901 1.00 0.00 H new ATOM 0 HG23 VAL X 16 66.080 -5.324 6.789 1.00 0.00 H new ATOM 235 N GLN X 17 65.070 -2.985 5.810 1.00 0.00 N ATOM 236 CA GLN X 17 63.654 -3.024 5.605 1.00 0.00 C ATOM 237 C GLN X 17 63.302 -2.285 4.328 1.00 0.00 C ATOM 238 O GLN X 17 62.590 -2.813 3.470 1.00 0.00 O ATOM 239 CB GLN X 17 62.918 -2.351 6.757 1.00 0.00 C ATOM 240 CG GLN X 17 61.445 -2.386 6.524 1.00 0.00 C ATOM 241 CD GLN X 17 60.637 -1.425 7.352 1.00 0.00 C ATOM 242 OE1 GLN X 17 60.976 -1.086 8.475 1.00 0.00 O ATOM 243 NE2 GLN X 17 59.587 -0.932 6.774 1.00 0.00 N ATOM 0 H GLN X 17 65.352 -2.518 6.672 1.00 0.00 H new ATOM 0 HA GLN X 17 63.354 -4.070 5.542 1.00 0.00 H new ATOM 0 HB2 GLN X 17 63.157 -2.855 7.693 1.00 0.00 H new ATOM 0 HB3 GLN X 17 63.252 -1.318 6.857 1.00 0.00 H new ATOM 0 HG2 GLN X 17 61.256 -2.179 5.471 1.00 0.00 H new ATOM 0 HG3 GLN X 17 61.087 -3.397 6.719 1.00 0.00 H new ATOM 0 HE21 GLN X 17 59.331 -1.237 5.835 1.00 0.00 H new ATOM 0 HE22 GLN X 17 59.016 -0.239 7.258 1.00 0.00 H new ATOM 252 N LEU X 18 63.831 -1.070 4.205 1.00 0.00 N ATOM 253 CA LEU X 18 63.572 -0.245 3.048 1.00 0.00 C ATOM 254 C LEU X 18 64.050 -0.950 1.812 1.00 0.00 C ATOM 255 O LEU X 18 63.330 -1.067 0.842 1.00 0.00 O ATOM 256 CB LEU X 18 64.274 1.101 3.168 1.00 0.00 C ATOM 257 CG LEU X 18 64.064 2.040 1.983 1.00 0.00 C ATOM 258 CD1 LEU X 18 62.618 2.478 1.890 1.00 0.00 C ATOM 259 CD2 LEU X 18 65.011 3.224 2.036 1.00 0.00 C ATOM 0 H LEU X 18 64.443 -0.642 4.900 1.00 0.00 H new ATOM 0 HA LEU X 18 62.498 -0.069 2.985 1.00 0.00 H new ATOM 0 HB2 LEU X 18 63.925 1.598 4.073 1.00 0.00 H new ATOM 0 HB3 LEU X 18 65.343 0.928 3.291 1.00 0.00 H new ATOM 0 HG LEU X 18 64.299 1.488 1.073 1.00 0.00 H new ATOM 0 HD11 LEU X 18 62.494 3.146 1.038 1.00 0.00 H new ATOM 0 HD12 LEU X 18 61.980 1.603 1.761 1.00 0.00 H new ATOM 0 HD13 LEU X 18 62.336 3.000 2.804 1.00 0.00 H new ATOM 0 HD21 LEU X 18 64.833 3.871 1.177 1.00 0.00 H new ATOM 0 HD22 LEU X 18 64.841 3.785 2.955 1.00 0.00 H new ATOM 0 HD23 LEU X 18 66.041 2.867 2.014 1.00 0.00 H new ATOM 271 N LEU X 19 65.243 -1.467 1.895 1.00 0.00 N ATOM 272 CA LEU X 19 65.858 -2.218 0.815 1.00 0.00 C ATOM 273 C LEU X 19 65.037 -3.433 0.405 1.00 0.00 C ATOM 274 O LEU X 19 64.951 -3.735 -0.773 1.00 0.00 O ATOM 275 CB LEU X 19 67.300 -2.584 1.161 1.00 0.00 C ATOM 276 CG LEU X 19 68.383 -1.564 0.749 1.00 0.00 C ATOM 277 CD1 LEU X 19 68.412 -1.396 -0.751 1.00 0.00 C ATOM 278 CD2 LEU X 19 68.169 -0.218 1.390 1.00 0.00 C ATOM 0 H LEU X 19 65.832 -1.382 2.723 1.00 0.00 H new ATOM 0 HA LEU X 19 65.881 -1.568 -0.060 1.00 0.00 H new ATOM 0 HB2 LEU X 19 67.365 -2.736 2.238 1.00 0.00 H new ATOM 0 HB3 LEU X 19 67.533 -3.539 0.690 1.00 0.00 H new ATOM 0 HG LEU X 19 69.336 -1.962 1.097 1.00 0.00 H new ATOM 0 HD11 LEU X 19 69.182 -0.673 -1.021 1.00 0.00 H new ATOM 0 HD12 LEU X 19 68.634 -2.355 -1.220 1.00 0.00 H new ATOM 0 HD13 LEU X 19 67.442 -1.039 -1.096 1.00 0.00 H new ATOM 0 HD21 LEU X 19 68.955 0.466 1.071 1.00 0.00 H new ATOM 0 HD22 LEU X 19 67.199 0.178 1.089 1.00 0.00 H new ATOM 0 HD23 LEU X 19 68.198 -0.323 2.475 1.00 0.00 H new ATOM 290 N LYS X 20 64.412 -4.099 1.366 1.00 0.00 N ATOM 291 CA LYS X 20 63.522 -5.222 1.066 1.00 0.00 C ATOM 292 C LYS X 20 62.325 -4.753 0.261 1.00 0.00 C ATOM 293 O LYS X 20 61.845 -5.449 -0.645 1.00 0.00 O ATOM 294 CB LYS X 20 63.036 -5.922 2.336 1.00 0.00 C ATOM 295 CG LYS X 20 64.106 -6.669 3.076 1.00 0.00 C ATOM 296 CD LYS X 20 63.529 -7.526 4.172 1.00 0.00 C ATOM 297 CE LYS X 20 64.609 -8.360 4.820 1.00 0.00 C ATOM 298 NZ LYS X 20 64.048 -9.391 5.708 1.00 0.00 N ATOM 0 H LYS X 20 64.502 -3.885 2.359 1.00 0.00 H new ATOM 0 HA LYS X 20 64.100 -5.938 0.482 1.00 0.00 H new ATOM 0 HB2 LYS X 20 62.601 -5.178 3.003 1.00 0.00 H new ATOM 0 HB3 LYS X 20 62.240 -6.618 2.072 1.00 0.00 H new ATOM 0 HG2 LYS X 20 64.662 -7.295 2.378 1.00 0.00 H new ATOM 0 HG3 LYS X 20 64.816 -5.961 3.503 1.00 0.00 H new ATOM 0 HD2 LYS X 20 63.051 -6.895 4.921 1.00 0.00 H new ATOM 0 HD3 LYS X 20 62.756 -8.177 3.763 1.00 0.00 H new ATOM 0 HE2 LYS X 20 65.213 -8.836 4.047 1.00 0.00 H new ATOM 0 HE3 LYS X 20 65.274 -7.712 5.391 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 64.821 -9.941 6.133 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 63.493 -8.936 6.461 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 63.433 -10.025 5.159 1.00 0.00 H new ATOM 312 N GLU X 21 61.855 -3.580 0.585 1.00 0.00 N ATOM 313 CA GLU X 21 60.740 -2.989 -0.098 1.00 0.00 C ATOM 314 C GLU X 21 61.141 -2.506 -1.483 1.00 0.00 C ATOM 315 O GLU X 21 60.353 -2.604 -2.438 1.00 0.00 O ATOM 316 CB GLU X 21 60.141 -1.874 0.735 1.00 0.00 C ATOM 317 CG GLU X 21 59.545 -2.370 2.035 1.00 0.00 C ATOM 318 CD GLU X 21 58.982 -1.266 2.869 1.00 0.00 C ATOM 319 OE1 GLU X 21 58.252 -0.430 2.333 1.00 0.00 O ATOM 320 OE2 GLU X 21 59.255 -1.219 4.094 1.00 0.00 O ATOM 0 H GLU X 21 62.238 -3.005 1.335 1.00 0.00 H new ATOM 0 HA GLU X 21 59.973 -3.751 -0.235 1.00 0.00 H new ATOM 0 HB2 GLU X 21 60.912 -1.135 0.952 1.00 0.00 H new ATOM 0 HB3 GLU X 21 59.368 -1.368 0.156 1.00 0.00 H new ATOM 0 HG2 GLU X 21 58.759 -3.093 1.817 1.00 0.00 H new ATOM 0 HG3 GLU X 21 60.312 -2.895 2.604 1.00 0.00 H new ATOM 327 N ILE X 22 62.366 -2.010 -1.597 1.00 0.00 N ATOM 328 CA ILE X 22 62.895 -1.565 -2.874 1.00 0.00 C ATOM 329 C ILE X 22 63.080 -2.764 -3.785 1.00 0.00 C ATOM 330 O ILE X 22 62.714 -2.721 -4.934 1.00 0.00 O ATOM 331 CB ILE X 22 64.242 -0.803 -2.760 1.00 0.00 C ATOM 332 CG1 ILE X 22 64.177 0.274 -1.671 1.00 0.00 C ATOM 333 CG2 ILE X 22 64.551 -0.158 -4.101 1.00 0.00 C ATOM 334 CD1 ILE X 22 65.431 1.122 -1.531 1.00 0.00 C ATOM 0 H ILE X 22 63.013 -1.907 -0.815 1.00 0.00 H new ATOM 0 HA ILE X 22 62.169 -0.862 -3.283 1.00 0.00 H new ATOM 0 HB ILE X 22 65.027 -1.509 -2.488 1.00 0.00 H new ATOM 0 HG12 ILE X 22 63.333 0.932 -1.881 1.00 0.00 H new ATOM 0 HG13 ILE X 22 63.974 -0.209 -0.715 1.00 0.00 H new ATOM 0 HG21 ILE X 22 65.496 0.382 -4.036 1.00 0.00 H new ATOM 0 HG22 ILE X 22 64.626 -0.930 -4.867 1.00 0.00 H new ATOM 0 HG23 ILE X 22 63.753 0.537 -4.363 1.00 0.00 H new ATOM 0 HD11 ILE X 22 65.288 1.854 -0.736 1.00 0.00 H new ATOM 0 HD12 ILE X 22 66.278 0.481 -1.286 1.00 0.00 H new ATOM 0 HD13 ILE X 22 65.627 1.639 -2.470 1.00 0.00 H new ATOM 346 N GLU X 23 63.592 -3.845 -3.211 1.00 0.00 N ATOM 347 CA GLU X 23 63.815 -5.113 -3.879 1.00 0.00 C ATOM 348 C GLU X 23 62.492 -5.631 -4.454 1.00 0.00 C ATOM 349 O GLU X 23 62.415 -6.051 -5.617 1.00 0.00 O ATOM 350 CB GLU X 23 64.374 -6.045 -2.787 1.00 0.00 C ATOM 351 CG GLU X 23 63.996 -7.500 -2.843 1.00 0.00 C ATOM 352 CD GLU X 23 64.754 -8.328 -3.848 1.00 0.00 C ATOM 353 OE1 GLU X 23 65.789 -8.925 -3.476 1.00 0.00 O ATOM 354 OE2 GLU X 23 64.280 -8.482 -4.975 1.00 0.00 O ATOM 0 H GLU X 23 63.873 -3.859 -2.230 1.00 0.00 H new ATOM 0 HA GLU X 23 64.506 -5.040 -4.719 1.00 0.00 H new ATOM 0 HB2 GLU X 23 65.462 -5.981 -2.817 1.00 0.00 H new ATOM 0 HB3 GLU X 23 64.058 -5.654 -1.820 1.00 0.00 H new ATOM 0 HG2 GLU X 23 64.144 -7.934 -1.854 1.00 0.00 H new ATOM 0 HG3 GLU X 23 62.932 -7.573 -3.067 1.00 0.00 H new ATOM 361 N LYS X 24 61.454 -5.506 -3.664 1.00 0.00 N ATOM 362 CA LYS X 24 60.153 -5.978 -4.032 1.00 0.00 C ATOM 363 C LYS X 24 59.604 -5.178 -5.232 1.00 0.00 C ATOM 364 O LYS X 24 59.154 -5.765 -6.217 1.00 0.00 O ATOM 365 CB LYS X 24 59.226 -5.893 -2.834 1.00 0.00 C ATOM 366 CG LYS X 24 57.966 -6.723 -2.966 1.00 0.00 C ATOM 367 CD LYS X 24 57.065 -6.601 -1.739 1.00 0.00 C ATOM 368 CE LYS X 24 57.745 -7.098 -0.469 1.00 0.00 C ATOM 369 NZ LYS X 24 56.879 -6.954 0.717 1.00 0.00 N ATOM 0 H LYS X 24 61.494 -5.070 -2.743 1.00 0.00 H new ATOM 0 HA LYS X 24 60.220 -7.021 -4.342 1.00 0.00 H new ATOM 0 HB2 LYS X 24 59.768 -6.215 -1.945 1.00 0.00 H new ATOM 0 HB3 LYS X 24 58.947 -4.851 -2.677 1.00 0.00 H new ATOM 0 HG2 LYS X 24 57.416 -6.407 -3.852 1.00 0.00 H new ATOM 0 HG3 LYS X 24 58.235 -7.769 -3.115 1.00 0.00 H new ATOM 0 HD2 LYS X 24 56.773 -5.559 -1.608 1.00 0.00 H new ATOM 0 HD3 LYS X 24 56.150 -7.170 -1.905 1.00 0.00 H new ATOM 0 HE2 LYS X 24 58.020 -8.146 -0.592 1.00 0.00 H new ATOM 0 HE3 LYS X 24 58.669 -6.542 -0.312 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 57.381 -7.304 1.558 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 56.637 -5.951 0.851 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 56.008 -7.505 0.580 1.00 0.00 H new ATOM 383 N GLU X 25 59.684 -3.841 -5.186 1.00 0.00 N ATOM 384 CA GLU X 25 59.206 -3.066 -6.299 1.00 0.00 C ATOM 385 C GLU X 25 60.199 -3.092 -7.462 1.00 0.00 C ATOM 386 O GLU X 25 59.859 -2.732 -8.588 1.00 0.00 O ATOM 387 CB GLU X 25 58.873 -1.627 -5.919 1.00 0.00 C ATOM 388 CG GLU X 25 57.875 -1.454 -4.790 1.00 0.00 C ATOM 389 CD GLU X 25 56.659 -2.335 -4.889 1.00 0.00 C ATOM 390 OE1 GLU X 25 55.675 -1.931 -5.535 1.00 0.00 O ATOM 391 OE2 GLU X 25 56.642 -3.419 -4.270 1.00 0.00 O ATOM 0 H GLU X 25 60.066 -3.303 -4.408 1.00 0.00 H new ATOM 0 HA GLU X 25 58.277 -3.538 -6.619 1.00 0.00 H new ATOM 0 HB2 GLU X 25 59.798 -1.122 -5.641 1.00 0.00 H new ATOM 0 HB3 GLU X 25 58.485 -1.119 -6.802 1.00 0.00 H new ATOM 0 HG2 GLU X 25 58.378 -1.656 -3.844 1.00 0.00 H new ATOM 0 HG3 GLU X 25 57.552 -0.413 -4.764 1.00 0.00 H new ATOM 398 N ASN X 26 61.419 -3.514 -7.186 1.00 0.00 N ATOM 399 CA ASN X 26 62.445 -3.639 -8.208 1.00 0.00 C ATOM 400 C ASN X 26 62.120 -4.790 -9.128 1.00 0.00 C ATOM 401 O ASN X 26 62.165 -4.644 -10.345 1.00 0.00 O ATOM 402 CB ASN X 26 63.846 -3.818 -7.585 1.00 0.00 C ATOM 403 CG ASN X 26 64.945 -4.019 -8.617 1.00 0.00 C ATOM 404 OD1 ASN X 26 65.511 -3.061 -9.131 1.00 0.00 O ATOM 405 ND2 ASN X 26 65.286 -5.261 -8.889 1.00 0.00 N ATOM 0 H ASN X 26 61.727 -3.779 -6.251 1.00 0.00 H new ATOM 0 HA ASN X 26 62.461 -2.716 -8.787 1.00 0.00 H new ATOM 0 HB2 ASN X 26 64.081 -2.942 -6.981 1.00 0.00 H new ATOM 0 HB3 ASN X 26 63.829 -4.675 -6.911 1.00 0.00 H new ATOM 0 HD21 ASN X 26 66.043 -5.450 -9.546 1.00 0.00 H new ATOM 0 HD22 ASN X 26 64.793 -6.035 -8.443 1.00 0.00 H new ATOM 412 N VAL X 27 61.746 -5.926 -8.552 1.00 0.00 N ATOM 413 CA VAL X 27 61.400 -7.088 -9.361 1.00 0.00 C ATOM 414 C VAL X 27 60.057 -6.896 -10.067 1.00 0.00 C ATOM 415 O VAL X 27 59.822 -7.473 -11.128 1.00 0.00 O ATOM 416 CB VAL X 27 61.432 -8.433 -8.577 1.00 0.00 C ATOM 417 CG1 VAL X 27 62.831 -8.705 -8.050 1.00 0.00 C ATOM 418 CG2 VAL X 27 60.416 -8.456 -7.441 1.00 0.00 C ATOM 0 H VAL X 27 61.675 -6.067 -7.544 1.00 0.00 H new ATOM 0 HA VAL X 27 62.184 -7.163 -10.115 1.00 0.00 H new ATOM 0 HB VAL X 27 61.156 -9.225 -9.273 1.00 0.00 H new ATOM 0 HG11 VAL X 27 62.837 -9.649 -7.504 1.00 0.00 H new ATOM 0 HG12 VAL X 27 63.529 -8.764 -8.885 1.00 0.00 H new ATOM 0 HG13 VAL X 27 63.132 -7.898 -7.382 1.00 0.00 H new ATOM 0 HG21 VAL X 27 60.473 -9.412 -6.921 1.00 0.00 H new ATOM 0 HG22 VAL X 27 60.634 -7.649 -6.741 1.00 0.00 H new ATOM 0 HG23 VAL X 27 59.413 -8.323 -7.847 1.00 0.00 H new ATOM 428 N ALA X 28 59.196 -6.075 -9.486 1.00 0.00 N ATOM 429 CA ALA X 28 57.912 -5.748 -10.099 1.00 0.00 C ATOM 430 C ALA X 28 58.108 -4.725 -11.205 1.00 0.00 C ATOM 431 O ALA X 28 57.377 -4.712 -12.199 1.00 0.00 O ATOM 432 CB ALA X 28 56.960 -5.182 -9.060 1.00 0.00 C ATOM 0 H ALA X 28 59.361 -5.620 -8.588 1.00 0.00 H new ATOM 0 HA ALA X 28 57.488 -6.661 -10.517 1.00 0.00 H new ATOM 0 HB1 ALA X 28 56.007 -4.943 -9.532 1.00 0.00 H new ATOM 0 HB2 ALA X 28 56.801 -5.919 -8.273 1.00 0.00 H new ATOM 0 HB3 ALA X 28 57.388 -4.277 -8.629 1.00 0.00 H new ATOM 438 N ALA X 29 59.121 -3.897 -11.015 1.00 0.00 N ATOM 439 CA ALA X 29 59.467 -2.789 -11.882 1.00 0.00 C ATOM 440 C ALA X 29 58.367 -1.746 -11.907 1.00 0.00 C ATOM 441 O ALA X 29 57.517 -1.711 -12.807 1.00 0.00 O ATOM 442 CB ALA X 29 59.890 -3.217 -13.287 1.00 0.00 C ATOM 0 H ALA X 29 59.750 -3.984 -10.217 1.00 0.00 H new ATOM 0 HA ALA X 29 60.354 -2.329 -11.447 1.00 0.00 H new ATOM 0 HB1 ALA X 29 60.134 -2.334 -13.878 1.00 0.00 H new ATOM 0 HB2 ALA X 29 60.765 -3.864 -13.222 1.00 0.00 H new ATOM 0 HB3 ALA X 29 59.073 -3.759 -13.764 1.00 0.00 H new ATOM 448 N THR X 30 58.319 -0.971 -10.866 1.00 0.00 N ATOM 449 CA THR X 30 57.396 0.120 -10.771 1.00 0.00 C ATOM 450 C THR X 30 58.148 1.409 -11.076 1.00 0.00 C ATOM 451 O THR X 30 59.295 1.366 -11.561 1.00 0.00 O ATOM 452 CB THR X 30 56.773 0.183 -9.354 1.00 0.00 C ATOM 453 OG1 THR X 30 57.799 0.150 -8.363 1.00 0.00 O ATOM 454 CG2 THR X 30 55.831 -0.972 -9.123 1.00 0.00 C ATOM 0 H THR X 30 58.924 -1.079 -10.052 1.00 0.00 H new ATOM 0 HA THR X 30 56.585 -0.018 -11.486 1.00 0.00 H new ATOM 0 HB THR X 30 56.214 1.116 -9.279 1.00 0.00 H new ATOM 0 HG1 THR X 30 57.625 0.840 -7.689 1.00 0.00 H new ATOM 0 HG21 THR X 30 55.409 -0.902 -8.121 1.00 0.00 H new ATOM 0 HG22 THR X 30 55.027 -0.939 -9.859 1.00 0.00 H new ATOM 0 HG23 THR X 30 56.375 -1.911 -9.223 1.00 0.00 H new ATOM 462 N ASP X 31 57.545 2.533 -10.825 1.00 0.00 N ATOM 463 CA ASP X 31 58.236 3.782 -11.019 1.00 0.00 C ATOM 464 C ASP X 31 57.942 4.742 -9.903 1.00 0.00 C ATOM 465 O ASP X 31 58.832 5.448 -9.463 1.00 0.00 O ATOM 466 CB ASP X 31 57.953 4.437 -12.394 1.00 0.00 C ATOM 467 CG ASP X 31 56.645 5.203 -12.482 1.00 0.00 C ATOM 468 OD1 ASP X 31 55.588 4.584 -12.730 1.00 0.00 O ATOM 469 OD2 ASP X 31 56.657 6.443 -12.306 1.00 0.00 O ATOM 0 H ASP X 31 56.586 2.616 -10.489 1.00 0.00 H new ATOM 0 HA ASP X 31 59.299 3.540 -11.007 1.00 0.00 H new ATOM 0 HB2 ASP X 31 58.771 5.117 -12.631 1.00 0.00 H new ATOM 0 HB3 ASP X 31 57.953 3.659 -13.157 1.00 0.00 H new ATOM 474 N ASP X 32 56.720 4.716 -9.384 1.00 0.00 N ATOM 475 CA ASP X 32 56.331 5.697 -8.375 1.00 0.00 C ATOM 476 C ASP X 32 57.090 5.565 -7.114 1.00 0.00 C ATOM 477 O ASP X 32 57.660 6.532 -6.656 1.00 0.00 O ATOM 478 CB ASP X 32 54.834 5.767 -8.096 1.00 0.00 C ATOM 479 CG ASP X 32 54.028 6.249 -9.265 1.00 0.00 C ATOM 480 OD1 ASP X 32 54.129 7.446 -9.609 1.00 0.00 O ATOM 481 OD2 ASP X 32 53.266 5.452 -9.854 1.00 0.00 O ATOM 0 H ASP X 32 55.996 4.044 -9.637 1.00 0.00 H new ATOM 0 HA ASP X 32 56.600 6.648 -8.834 1.00 0.00 H new ATOM 0 HB2 ASP X 32 54.480 4.778 -7.805 1.00 0.00 H new ATOM 0 HB3 ASP X 32 54.661 6.430 -7.248 1.00 0.00 H new ATOM 486 N VAL X 33 57.118 4.395 -6.544 1.00 0.00 N ATOM 487 CA VAL X 33 57.874 4.247 -5.328 1.00 0.00 C ATOM 488 C VAL X 33 59.284 3.892 -5.694 1.00 0.00 C ATOM 489 O VAL X 33 60.202 4.315 -5.062 1.00 0.00 O ATOM 490 CB VAL X 33 57.295 3.186 -4.339 1.00 0.00 C ATOM 491 CG1 VAL X 33 57.578 1.777 -4.732 1.00 0.00 C ATOM 492 CG2 VAL X 33 57.676 3.477 -2.898 1.00 0.00 C ATOM 0 H VAL X 33 56.646 3.556 -6.883 1.00 0.00 H new ATOM 0 HA VAL X 33 57.822 5.197 -4.796 1.00 0.00 H new ATOM 0 HB VAL X 33 56.212 3.286 -4.408 1.00 0.00 H new ATOM 0 HG11 VAL X 33 57.144 1.100 -3.996 1.00 0.00 H new ATOM 0 HG12 VAL X 33 57.141 1.578 -5.711 1.00 0.00 H new ATOM 0 HG13 VAL X 33 58.656 1.621 -4.777 1.00 0.00 H new ATOM 0 HG21 VAL X 33 57.251 2.713 -2.248 1.00 0.00 H new ATOM 0 HG22 VAL X 33 58.762 3.473 -2.801 1.00 0.00 H new ATOM 0 HG23 VAL X 33 57.289 4.455 -2.610 1.00 0.00 H new ATOM 502 N LEU X 34 59.421 3.193 -6.800 1.00 0.00 N ATOM 503 CA LEU X 34 60.683 2.670 -7.267 1.00 0.00 C ATOM 504 C LEU X 34 61.661 3.786 -7.484 1.00 0.00 C ATOM 505 O LEU X 34 62.776 3.713 -6.999 1.00 0.00 O ATOM 506 CB LEU X 34 60.410 1.870 -8.541 1.00 0.00 C ATOM 507 CG LEU X 34 61.517 1.014 -9.181 1.00 0.00 C ATOM 508 CD1 LEU X 34 62.401 1.849 -10.067 1.00 0.00 C ATOM 509 CD2 LEU X 34 62.332 0.269 -8.125 1.00 0.00 C ATOM 0 H LEU X 34 58.637 2.968 -7.413 1.00 0.00 H new ATOM 0 HA LEU X 34 61.136 2.010 -6.527 1.00 0.00 H new ATOM 0 HB2 LEU X 34 59.572 1.206 -8.330 1.00 0.00 H new ATOM 0 HB3 LEU X 34 60.073 2.578 -9.298 1.00 0.00 H new ATOM 0 HG LEU X 34 61.033 0.263 -9.805 1.00 0.00 H new ATOM 0 HD11 LEU X 34 63.175 1.219 -10.506 1.00 0.00 H new ATOM 0 HD12 LEU X 34 61.803 2.296 -10.861 1.00 0.00 H new ATOM 0 HD13 LEU X 34 62.867 2.638 -9.476 1.00 0.00 H new ATOM 0 HD21 LEU X 34 63.104 -0.325 -8.614 1.00 0.00 H new ATOM 0 HD22 LEU X 34 62.799 0.988 -7.452 1.00 0.00 H new ATOM 0 HD23 LEU X 34 61.675 -0.388 -7.555 1.00 0.00 H new ATOM 521 N ASP X 35 61.233 4.865 -8.114 1.00 0.00 N ATOM 522 CA ASP X 35 62.190 5.938 -8.376 1.00 0.00 C ATOM 523 C ASP X 35 62.530 6.673 -7.111 1.00 0.00 C ATOM 524 O ASP X 35 63.665 7.129 -6.934 1.00 0.00 O ATOM 525 CB ASP X 35 61.752 6.877 -9.491 1.00 0.00 C ATOM 526 CG ASP X 35 62.875 7.775 -9.947 1.00 0.00 C ATOM 527 OD1 ASP X 35 63.726 7.320 -10.751 1.00 0.00 O ATOM 528 OD2 ASP X 35 62.949 8.931 -9.505 1.00 0.00 O ATOM 0 H ASP X 35 60.280 5.025 -8.442 1.00 0.00 H new ATOM 0 HA ASP X 35 63.101 5.465 -8.743 1.00 0.00 H new ATOM 0 HB2 ASP X 35 61.390 6.292 -10.336 1.00 0.00 H new ATOM 0 HB3 ASP X 35 60.918 7.487 -9.145 1.00 0.00 H new ATOM 533 N VAL X 36 61.574 6.706 -6.195 1.00 0.00 N ATOM 534 CA VAL X 36 61.780 7.317 -4.896 1.00 0.00 C ATOM 535 C VAL X 36 62.807 6.565 -4.158 1.00 0.00 C ATOM 536 O VAL X 36 63.760 7.116 -3.661 1.00 0.00 O ATOM 537 CB VAL X 36 60.527 7.204 -4.018 1.00 0.00 C ATOM 538 CG1 VAL X 36 60.771 7.795 -2.669 1.00 0.00 C ATOM 539 CG2 VAL X 36 59.424 7.877 -4.638 1.00 0.00 C ATOM 0 H VAL X 36 60.643 6.313 -6.331 1.00 0.00 H new ATOM 0 HA VAL X 36 62.050 8.357 -5.080 1.00 0.00 H new ATOM 0 HB VAL X 36 60.290 6.146 -3.904 1.00 0.00 H new ATOM 0 HG11 VAL X 36 59.869 7.704 -2.063 1.00 0.00 H new ATOM 0 HG12 VAL X 36 61.590 7.265 -2.182 1.00 0.00 H new ATOM 0 HG13 VAL X 36 61.032 8.848 -2.775 1.00 0.00 H new ATOM 0 HG21 VAL X 36 58.541 7.789 -4.004 1.00 0.00 H new ATOM 0 HG22 VAL X 36 59.670 8.930 -4.773 1.00 0.00 H new ATOM 0 HG23 VAL X 36 59.221 7.424 -5.608 1.00 0.00 H new ATOM 549 N LEU X 37 62.618 5.292 -4.151 1.00 0.00 N ATOM 550 CA LEU X 37 63.402 4.424 -3.374 1.00 0.00 C ATOM 551 C LEU X 37 64.792 4.378 -3.867 1.00 0.00 C ATOM 552 O LEU X 37 65.722 4.441 -3.087 1.00 0.00 O ATOM 553 CB LEU X 37 62.827 3.055 -3.399 1.00 0.00 C ATOM 554 CG LEU X 37 61.381 2.891 -2.903 1.00 0.00 C ATOM 555 CD1 LEU X 37 60.902 1.459 -3.062 1.00 0.00 C ATOM 556 CD2 LEU X 37 61.251 3.333 -1.454 1.00 0.00 C ATOM 0 H LEU X 37 61.897 4.824 -4.700 1.00 0.00 H new ATOM 0 HA LEU X 37 63.406 4.803 -2.352 1.00 0.00 H new ATOM 0 HB2 LEU X 37 62.876 2.687 -4.424 1.00 0.00 H new ATOM 0 HB3 LEU X 37 63.466 2.409 -2.797 1.00 0.00 H new ATOM 0 HG LEU X 37 60.749 3.531 -3.519 1.00 0.00 H new ATOM 0 HD11 LEU X 37 59.876 1.376 -2.702 1.00 0.00 H new ATOM 0 HD12 LEU X 37 60.941 1.177 -4.114 1.00 0.00 H new ATOM 0 HD13 LEU X 37 61.544 0.794 -2.484 1.00 0.00 H new ATOM 0 HD21 LEU X 37 60.219 3.207 -1.126 1.00 0.00 H new ATOM 0 HD22 LEU X 37 61.907 2.727 -0.829 1.00 0.00 H new ATOM 0 HD23 LEU X 37 61.534 4.382 -1.367 1.00 0.00 H new ATOM 568 N LEU X 38 64.925 4.300 -5.157 1.00 0.00 N ATOM 569 CA LEU X 38 66.205 4.239 -5.774 1.00 0.00 C ATOM 570 C LEU X 38 67.003 5.489 -5.479 1.00 0.00 C ATOM 571 O LEU X 38 68.159 5.399 -5.078 1.00 0.00 O ATOM 572 CB LEU X 38 66.069 3.958 -7.268 1.00 0.00 C ATOM 573 CG LEU X 38 65.455 2.613 -7.668 1.00 0.00 C ATOM 574 CD1 LEU X 38 65.563 2.416 -9.150 1.00 0.00 C ATOM 575 CD2 LEU X 38 66.075 1.445 -6.924 1.00 0.00 C ATOM 0 H LEU X 38 64.141 4.277 -5.810 1.00 0.00 H new ATOM 0 HA LEU X 38 66.765 3.406 -5.349 1.00 0.00 H new ATOM 0 HB2 LEU X 38 65.465 4.751 -7.708 1.00 0.00 H new ATOM 0 HB3 LEU X 38 67.060 4.025 -7.717 1.00 0.00 H new ATOM 0 HG LEU X 38 64.403 2.641 -7.385 1.00 0.00 H new ATOM 0 HD11 LEU X 38 65.123 1.457 -9.423 1.00 0.00 H new ATOM 0 HD12 LEU X 38 65.032 3.218 -9.663 1.00 0.00 H new ATOM 0 HD13 LEU X 38 66.613 2.430 -9.443 1.00 0.00 H new ATOM 0 HD21 LEU X 38 65.603 0.517 -7.246 1.00 0.00 H new ATOM 0 HD22 LEU X 38 67.143 1.402 -7.139 1.00 0.00 H new ATOM 0 HD23 LEU X 38 65.925 1.576 -5.852 1.00 0.00 H new ATOM 587 N GLU X 39 66.368 6.632 -5.600 1.00 0.00 N ATOM 588 CA GLU X 39 67.017 7.889 -5.301 1.00 0.00 C ATOM 589 C GLU X 39 67.271 8.068 -3.828 1.00 0.00 C ATOM 590 O GLU X 39 68.363 8.435 -3.436 1.00 0.00 O ATOM 591 CB GLU X 39 66.208 9.057 -5.786 1.00 0.00 C ATOM 592 CG GLU X 39 66.323 9.350 -7.253 1.00 0.00 C ATOM 593 CD GLU X 39 67.744 9.654 -7.669 1.00 0.00 C ATOM 594 OE1 GLU X 39 68.180 10.821 -7.558 1.00 0.00 O ATOM 595 OE2 GLU X 39 68.448 8.745 -8.136 1.00 0.00 O ATOM 0 H GLU X 39 65.398 6.718 -5.905 1.00 0.00 H new ATOM 0 HA GLU X 39 67.973 7.857 -5.824 1.00 0.00 H new ATOM 0 HB2 GLU X 39 65.160 8.875 -5.549 1.00 0.00 H new ATOM 0 HB3 GLU X 39 66.511 9.944 -5.230 1.00 0.00 H new ATOM 0 HG2 GLU X 39 65.956 8.496 -7.821 1.00 0.00 H new ATOM 0 HG3 GLU X 39 65.685 10.197 -7.503 1.00 0.00 H new ATOM 602 N HIS X 40 66.267 7.805 -3.019 1.00 0.00 N ATOM 603 CA HIS X 40 66.349 8.026 -1.589 1.00 0.00 C ATOM 604 C HIS X 40 67.466 7.206 -1.002 1.00 0.00 C ATOM 605 O HIS X 40 68.267 7.705 -0.224 1.00 0.00 O ATOM 606 CB HIS X 40 65.009 7.712 -0.906 1.00 0.00 C ATOM 607 CG HIS X 40 64.933 8.144 0.539 1.00 0.00 C ATOM 608 ND1 HIS X 40 64.226 9.244 0.973 1.00 0.00 N ATOM 609 CD2 HIS X 40 65.490 7.602 1.654 1.00 0.00 C ATOM 610 CE1 HIS X 40 64.375 9.337 2.292 1.00 0.00 C ATOM 611 NE2 HIS X 40 65.135 8.366 2.757 1.00 0.00 N ATOM 0 H HIS X 40 65.371 7.432 -3.333 1.00 0.00 H new ATOM 0 HA HIS X 40 66.567 9.079 -1.411 1.00 0.00 H new ATOM 0 HB2 HIS X 40 64.208 8.200 -1.462 1.00 0.00 H new ATOM 0 HB3 HIS X 40 64.828 6.639 -0.962 1.00 0.00 H new ATOM 0 HD2 HIS X 40 66.110 6.718 1.678 1.00 0.00 H new ATOM 0 HE1 HIS X 40 63.930 10.109 2.903 1.00 0.00 H new ATOM 0 HE2 HIS X 40 65.406 8.208 3.728 1.00 0.00 H new ATOM 619 N PHE X 41 67.534 5.981 -1.425 1.00 0.00 N ATOM 620 CA PHE X 41 68.558 5.078 -1.014 1.00 0.00 C ATOM 621 C PHE X 41 69.943 5.612 -1.396 1.00 0.00 C ATOM 622 O PHE X 41 70.829 5.730 -0.549 1.00 0.00 O ATOM 623 CB PHE X 41 68.276 3.726 -1.650 1.00 0.00 C ATOM 624 CG PHE X 41 69.414 2.768 -1.669 1.00 0.00 C ATOM 625 CD1 PHE X 41 69.844 2.165 -0.517 1.00 0.00 C ATOM 626 CD2 PHE X 41 70.058 2.477 -2.849 1.00 0.00 C ATOM 627 CE1 PHE X 41 70.902 1.279 -0.539 1.00 0.00 C ATOM 628 CE2 PHE X 41 71.106 1.598 -2.868 1.00 0.00 C ATOM 629 CZ PHE X 41 71.529 0.997 -1.718 1.00 0.00 C ATOM 0 H PHE X 41 66.864 5.575 -2.079 1.00 0.00 H new ATOM 0 HA PHE X 41 68.558 4.973 0.071 1.00 0.00 H new ATOM 0 HB2 PHE X 41 67.445 3.262 -1.119 1.00 0.00 H new ATOM 0 HB3 PHE X 41 67.947 3.890 -2.676 1.00 0.00 H new ATOM 0 HD1 PHE X 41 69.350 2.385 0.418 1.00 0.00 H new ATOM 0 HD2 PHE X 41 69.734 2.946 -3.767 1.00 0.00 H new ATOM 0 HE1 PHE X 41 71.233 0.810 0.375 1.00 0.00 H new ATOM 0 HE2 PHE X 41 71.603 1.378 -3.801 1.00 0.00 H new ATOM 0 HZ PHE X 41 72.355 0.302 -1.741 1.00 0.00 H new ATOM 639 N VAL X 42 70.121 5.949 -2.646 1.00 0.00 N ATOM 640 CA VAL X 42 71.397 6.442 -3.099 1.00 0.00 C ATOM 641 C VAL X 42 71.763 7.808 -2.528 1.00 0.00 C ATOM 642 O VAL X 42 72.901 8.060 -2.263 1.00 0.00 O ATOM 643 CB VAL X 42 71.580 6.348 -4.637 1.00 0.00 C ATOM 644 CG1 VAL X 42 70.624 7.166 -5.408 1.00 0.00 C ATOM 645 CG2 VAL X 42 72.992 6.599 -5.075 1.00 0.00 C ATOM 0 H VAL X 42 69.402 5.892 -3.367 1.00 0.00 H new ATOM 0 HA VAL X 42 72.132 5.756 -2.678 1.00 0.00 H new ATOM 0 HB VAL X 42 71.347 5.309 -4.871 1.00 0.00 H new ATOM 0 HG11 VAL X 42 70.818 7.045 -6.474 1.00 0.00 H new ATOM 0 HG12 VAL X 42 69.607 6.843 -5.186 1.00 0.00 H new ATOM 0 HG13 VAL X 42 70.740 8.215 -5.135 1.00 0.00 H new ATOM 0 HG21 VAL X 42 73.056 6.519 -6.160 1.00 0.00 H new ATOM 0 HG22 VAL X 42 73.297 7.599 -4.766 1.00 0.00 H new ATOM 0 HG23 VAL X 42 73.651 5.861 -4.618 1.00 0.00 H new ATOM 655 N LYS X 43 70.793 8.644 -2.290 1.00 0.00 N ATOM 656 CA LYS X 43 71.055 10.005 -1.775 1.00 0.00 C ATOM 657 C LYS X 43 71.545 9.987 -0.318 1.00 0.00 C ATOM 658 O LYS X 43 72.256 10.896 0.114 1.00 0.00 O ATOM 659 CB LYS X 43 69.800 10.896 -1.873 1.00 0.00 C ATOM 660 CG LYS X 43 68.832 10.765 -0.689 1.00 0.00 C ATOM 661 CD LYS X 43 67.574 11.573 -0.890 1.00 0.00 C ATOM 662 CE LYS X 43 66.765 11.635 0.390 1.00 0.00 C ATOM 663 NZ LYS X 43 67.468 12.398 1.456 1.00 0.00 N ATOM 0 H LYS X 43 69.806 8.430 -2.436 1.00 0.00 H new ATOM 0 HA LYS X 43 71.843 10.420 -2.403 1.00 0.00 H new ATOM 0 HB2 LYS X 43 70.114 11.936 -1.956 1.00 0.00 H new ATOM 0 HB3 LYS X 43 69.266 10.650 -2.791 1.00 0.00 H new ATOM 0 HG2 LYS X 43 68.570 9.716 -0.550 1.00 0.00 H new ATOM 0 HG3 LYS X 43 69.330 11.092 0.224 1.00 0.00 H new ATOM 0 HD2 LYS X 43 67.832 12.582 -1.212 1.00 0.00 H new ATOM 0 HD3 LYS X 43 66.974 11.129 -1.684 1.00 0.00 H new ATOM 0 HE2 LYS X 43 65.800 12.100 0.187 1.00 0.00 H new ATOM 0 HE3 LYS X 43 66.563 10.623 0.741 1.00 0.00 H new ATOM 0 HZ1 LYS X 43 67.476 11.841 2.334 1.00 0.00 H new ATOM 0 HZ2 LYS X 43 68.446 12.590 1.158 1.00 0.00 H new ATOM 0 HZ3 LYS X 43 66.974 13.298 1.622 1.00 0.00 H new ATOM 677 N ILE X 44 71.138 8.984 0.433 1.00 0.00 N ATOM 678 CA ILE X 44 71.509 8.905 1.824 1.00 0.00 C ATOM 679 C ILE X 44 72.884 8.260 1.998 1.00 0.00 C ATOM 680 O ILE X 44 73.704 8.739 2.777 1.00 0.00 O ATOM 681 CB ILE X 44 70.409 8.213 2.688 1.00 0.00 C ATOM 682 CG1 ILE X 44 70.055 6.835 2.134 1.00 0.00 C ATOM 683 CG2 ILE X 44 69.165 9.096 2.741 1.00 0.00 C ATOM 684 CD1 ILE X 44 68.992 6.102 2.903 1.00 0.00 C ATOM 0 H ILE X 44 70.553 8.217 0.102 1.00 0.00 H new ATOM 0 HA ILE X 44 71.588 9.926 2.198 1.00 0.00 H new ATOM 0 HB ILE X 44 70.800 8.077 3.696 1.00 0.00 H new ATOM 0 HG12 ILE X 44 69.725 6.948 1.101 1.00 0.00 H new ATOM 0 HG13 ILE X 44 70.957 6.224 2.115 1.00 0.00 H new ATOM 0 HG21 ILE X 44 68.399 8.610 3.345 1.00 0.00 H new ATOM 0 HG22 ILE X 44 69.420 10.058 3.185 1.00 0.00 H new ATOM 0 HG23 ILE X 44 68.786 9.252 1.731 1.00 0.00 H new ATOM 0 HD11 ILE X 44 68.807 5.134 2.436 1.00 0.00 H new ATOM 0 HD12 ILE X 44 69.324 5.952 3.930 1.00 0.00 H new ATOM 0 HD13 ILE X 44 68.072 6.687 2.901 1.00 0.00 H new ATOM 696 N THR X 45 73.161 7.219 1.231 1.00 0.00 N ATOM 697 CA THR X 45 74.457 6.571 1.301 1.00 0.00 C ATOM 698 C THR X 45 75.484 7.313 0.423 1.00 0.00 C ATOM 699 O THR X 45 76.685 7.395 0.768 1.00 0.00 O ATOM 700 CB THR X 45 74.378 5.058 0.918 1.00 0.00 C ATOM 701 OG1 THR X 45 75.680 4.467 0.950 1.00 0.00 O ATOM 702 CG2 THR X 45 73.769 4.861 -0.466 1.00 0.00 C ATOM 0 H THR X 45 72.512 6.809 0.559 1.00 0.00 H new ATOM 0 HA THR X 45 74.791 6.619 2.338 1.00 0.00 H new ATOM 0 HB THR X 45 73.735 4.571 1.651 1.00 0.00 H new ATOM 0 HG1 THR X 45 76.119 4.688 1.798 1.00 0.00 H new ATOM 0 HG21 THR X 45 73.730 3.797 -0.698 1.00 0.00 H new ATOM 0 HG22 THR X 45 72.760 5.273 -0.481 1.00 0.00 H new ATOM 0 HG23 THR X 45 74.381 5.372 -1.209 1.00 0.00 H new ATOM 710 N GLU X 46 74.978 7.891 -0.677 1.00 0.00 N ATOM 711 CA GLU X 46 75.737 8.655 -1.675 1.00 0.00 C ATOM 712 C GLU X 46 76.738 7.781 -2.391 1.00 0.00 C ATOM 713 O GLU X 46 77.780 8.247 -2.879 1.00 0.00 O ATOM 714 CB GLU X 46 76.369 9.855 -1.041 1.00 0.00 C ATOM 715 CG GLU X 46 75.364 10.724 -0.353 1.00 0.00 C ATOM 716 CD GLU X 46 75.996 11.887 0.299 1.00 0.00 C ATOM 717 OE1 GLU X 46 76.724 11.687 1.295 1.00 0.00 O ATOM 718 OE2 GLU X 46 75.804 13.014 -0.176 1.00 0.00 O ATOM 0 H GLU X 46 73.985 7.835 -0.904 1.00 0.00 H new ATOM 0 HA GLU X 46 75.047 9.016 -2.438 1.00 0.00 H new ATOM 0 HB2 GLU X 46 77.120 9.530 -0.321 1.00 0.00 H new ATOM 0 HB3 GLU X 46 76.888 10.436 -1.803 1.00 0.00 H new ATOM 0 HG2 GLU X 46 74.627 11.070 -1.078 1.00 0.00 H new ATOM 0 HG3 GLU X 46 74.827 10.138 0.392 1.00 0.00 H new ATOM 725 N HIS X 47 76.370 6.527 -2.505 1.00 0.00 N ATOM 726 CA HIS X 47 77.162 5.523 -3.159 1.00 0.00 C ATOM 727 C HIS X 47 77.019 5.725 -4.679 1.00 0.00 C ATOM 728 O HIS X 47 75.922 5.908 -5.154 1.00 0.00 O ATOM 729 CB HIS X 47 76.643 4.128 -2.745 1.00 0.00 C ATOM 730 CG HIS X 47 77.523 2.999 -3.162 1.00 0.00 C ATOM 731 ND1 HIS X 47 77.309 2.211 -4.263 1.00 0.00 N ATOM 732 CD2 HIS X 47 78.661 2.554 -2.611 1.00 0.00 C ATOM 733 CE1 HIS X 47 78.324 1.342 -4.342 1.00 0.00 C ATOM 734 NE2 HIS X 47 79.165 1.511 -3.361 1.00 0.00 N ATOM 0 H HIS X 47 75.488 6.172 -2.135 1.00 0.00 H new ATOM 0 HA HIS X 47 78.212 5.601 -2.877 1.00 0.00 H new ATOM 0 HB2 HIS X 47 76.528 4.103 -1.661 1.00 0.00 H new ATOM 0 HB3 HIS X 47 75.652 3.979 -3.175 1.00 0.00 H new ATOM 0 HD2 HIS X 47 79.115 2.952 -1.715 1.00 0.00 H new ATOM 0 HE1 HIS X 47 78.432 0.598 -5.117 1.00 0.00 H new ATOM 0 HE2 HIS X 47 80.019 0.982 -3.184 1.00 0.00 H new ATOM 742 N PRO X 48 78.105 5.639 -5.461 1.00 0.00 N ATOM 743 CA PRO X 48 78.084 5.944 -6.916 1.00 0.00 C ATOM 744 C PRO X 48 77.350 4.905 -7.714 1.00 0.00 C ATOM 745 O PRO X 48 77.004 5.099 -8.882 1.00 0.00 O ATOM 746 CB PRO X 48 79.544 5.846 -7.307 1.00 0.00 C ATOM 747 CG PRO X 48 80.313 5.862 -6.060 1.00 0.00 C ATOM 748 CD PRO X 48 79.441 5.214 -5.046 1.00 0.00 C ATOM 0 HA PRO X 48 77.597 6.901 -7.104 1.00 0.00 H new ATOM 0 HB2 PRO X 48 79.734 4.931 -7.868 1.00 0.00 H new ATOM 0 HB3 PRO X 48 79.830 6.679 -7.949 1.00 0.00 H new ATOM 0 HG2 PRO X 48 81.253 5.322 -6.172 1.00 0.00 H new ATOM 0 HG3 PRO X 48 80.564 6.881 -5.767 1.00 0.00 H new ATOM 0 HD2 PRO X 48 79.543 4.129 -5.056 1.00 0.00 H new ATOM 0 HD3 PRO X 48 79.677 5.547 -4.035 1.00 0.00 H new ATOM 756 N ASP X 49 77.097 3.819 -7.081 1.00 0.00 N ATOM 757 CA ASP X 49 76.539 2.709 -7.722 1.00 0.00 C ATOM 758 C ASP X 49 75.366 2.282 -6.892 1.00 0.00 C ATOM 759 O ASP X 49 75.067 1.110 -6.792 1.00 0.00 O ATOM 760 CB ASP X 49 77.541 1.537 -7.836 1.00 0.00 C ATOM 761 CG ASP X 49 78.757 1.815 -8.696 1.00 0.00 C ATOM 762 OD1 ASP X 49 78.647 1.763 -9.934 1.00 0.00 O ATOM 763 OD2 ASP X 49 79.858 2.069 -8.145 1.00 0.00 O ATOM 0 H ASP X 49 77.279 3.684 -6.086 1.00 0.00 H new ATOM 0 HA ASP X 49 76.252 2.979 -8.738 1.00 0.00 H new ATOM 0 HB2 ASP X 49 77.877 1.267 -6.835 1.00 0.00 H new ATOM 0 HB3 ASP X 49 77.019 0.670 -8.241 1.00 0.00 H new ATOM 768 N GLY X 50 74.737 3.270 -6.249 1.00 0.00 N ATOM 769 CA GLY X 50 73.589 3.060 -5.371 1.00 0.00 C ATOM 770 C GLY X 50 72.576 2.194 -5.959 1.00 0.00 C ATOM 771 O GLY X 50 72.292 1.121 -5.442 1.00 0.00 O ATOM 0 H GLY X 50 75.016 4.248 -6.326 1.00 0.00 H new ATOM 0 HA2 GLY X 50 73.931 2.625 -4.432 1.00 0.00 H new ATOM 0 HA3 GLY X 50 73.141 4.024 -5.131 1.00 0.00 H new ATOM 775 N THR X 51 72.117 2.570 -7.066 1.00 0.00 N ATOM 776 CA THR X 51 71.032 1.863 -7.655 1.00 0.00 C ATOM 777 C THR X 51 71.504 0.506 -8.174 1.00 0.00 C ATOM 778 O THR X 51 70.785 -0.493 -8.078 1.00 0.00 O ATOM 779 CB THR X 51 70.403 2.675 -8.758 1.00 0.00 C ATOM 780 OG1 THR X 51 70.489 4.068 -8.386 1.00 0.00 O ATOM 781 CG2 THR X 51 68.948 2.296 -8.850 1.00 0.00 C ATOM 0 H THR X 51 72.463 3.365 -7.603 1.00 0.00 H new ATOM 0 HA THR X 51 70.273 1.692 -6.892 1.00 0.00 H new ATOM 0 HB THR X 51 70.904 2.497 -9.709 1.00 0.00 H new ATOM 0 HG1 THR X 51 70.087 4.620 -9.089 1.00 0.00 H new ATOM 0 HG21 THR X 51 68.471 2.872 -9.643 1.00 0.00 H new ATOM 0 HG22 THR X 51 68.862 1.232 -9.073 1.00 0.00 H new ATOM 0 HG23 THR X 51 68.456 2.509 -7.901 1.00 0.00 H new ATOM 789 N ALA X 52 72.755 0.467 -8.621 1.00 0.00 N ATOM 790 CA ALA X 52 73.357 -0.739 -9.127 1.00 0.00 C ATOM 791 C ALA X 52 73.450 -1.786 -8.053 1.00 0.00 C ATOM 792 O ALA X 52 73.220 -2.955 -8.327 1.00 0.00 O ATOM 793 CB ALA X 52 74.711 -0.448 -9.731 1.00 0.00 C ATOM 0 H ALA X 52 73.373 1.278 -8.638 1.00 0.00 H new ATOM 0 HA ALA X 52 72.717 -1.134 -9.916 1.00 0.00 H new ATOM 0 HB1 ALA X 52 75.148 -1.373 -10.107 1.00 0.00 H new ATOM 0 HB2 ALA X 52 74.599 0.260 -10.552 1.00 0.00 H new ATOM 0 HB3 ALA X 52 75.365 -0.021 -8.970 1.00 0.00 H new ATOM 799 N LEU X 53 73.736 -1.355 -6.823 1.00 0.00 N ATOM 800 CA LEU X 53 73.819 -2.253 -5.676 1.00 0.00 C ATOM 801 C LEU X 53 72.541 -3.002 -5.449 1.00 0.00 C ATOM 802 O LEU X 53 72.569 -4.185 -5.141 1.00 0.00 O ATOM 803 CB LEU X 53 74.204 -1.531 -4.397 1.00 0.00 C ATOM 804 CG LEU X 53 75.624 -1.013 -4.292 1.00 0.00 C ATOM 805 CD1 LEU X 53 75.870 -0.520 -2.894 1.00 0.00 C ATOM 806 CD2 LEU X 53 76.637 -2.087 -4.662 1.00 0.00 C ATOM 0 H LEU X 53 73.916 -0.377 -6.597 1.00 0.00 H new ATOM 0 HA LEU X 53 74.607 -2.963 -5.926 1.00 0.00 H new ATOM 0 HB2 LEU X 53 73.527 -0.687 -4.269 1.00 0.00 H new ATOM 0 HB3 LEU X 53 74.030 -2.209 -3.561 1.00 0.00 H new ATOM 0 HG LEU X 53 75.747 -0.191 -4.998 1.00 0.00 H new ATOM 0 HD11 LEU X 53 76.891 -0.146 -2.814 1.00 0.00 H new ATOM 0 HD12 LEU X 53 75.170 0.283 -2.663 1.00 0.00 H new ATOM 0 HD13 LEU X 53 75.727 -1.339 -2.189 1.00 0.00 H new ATOM 0 HD21 LEU X 53 77.645 -1.681 -4.576 1.00 0.00 H new ATOM 0 HD22 LEU X 53 76.529 -2.937 -3.988 1.00 0.00 H new ATOM 0 HD23 LEU X 53 76.464 -2.413 -5.688 1.00 0.00 H new ATOM 818 N ILE X 54 71.424 -2.331 -5.637 1.00 0.00 N ATOM 819 CA ILE X 54 70.128 -2.973 -5.432 1.00 0.00 C ATOM 820 C ILE X 54 69.940 -4.062 -6.466 1.00 0.00 C ATOM 821 O ILE X 54 69.572 -5.196 -6.147 1.00 0.00 O ATOM 822 CB ILE X 54 68.959 -1.947 -5.479 1.00 0.00 C ATOM 823 CG1 ILE X 54 68.968 -1.090 -4.216 1.00 0.00 C ATOM 824 CG2 ILE X 54 67.596 -2.641 -5.641 1.00 0.00 C ATOM 825 CD1 ILE X 54 68.055 0.093 -4.289 1.00 0.00 C ATOM 0 H ILE X 54 71.379 -1.354 -5.927 1.00 0.00 H new ATOM 0 HA ILE X 54 70.114 -3.415 -4.436 1.00 0.00 H new ATOM 0 HB ILE X 54 69.109 -1.311 -6.351 1.00 0.00 H new ATOM 0 HG12 ILE X 54 68.681 -1.708 -3.365 1.00 0.00 H new ATOM 0 HG13 ILE X 54 69.984 -0.743 -4.029 1.00 0.00 H new ATOM 0 HG21 ILE X 54 66.806 -1.890 -5.669 1.00 0.00 H new ATOM 0 HG22 ILE X 54 67.587 -3.213 -6.569 1.00 0.00 H new ATOM 0 HG23 ILE X 54 67.428 -3.313 -4.799 1.00 0.00 H new ATOM 0 HD11 ILE X 54 68.113 0.656 -3.357 1.00 0.00 H new ATOM 0 HD12 ILE X 54 68.355 0.733 -5.119 1.00 0.00 H new ATOM 0 HD13 ILE X 54 67.031 -0.247 -4.444 1.00 0.00 H new ATOM 837 N TYR X 55 70.279 -3.723 -7.680 1.00 0.00 N ATOM 838 CA TYR X 55 70.192 -4.626 -8.788 1.00 0.00 C ATOM 839 C TYR X 55 71.109 -5.846 -8.618 1.00 0.00 C ATOM 840 O TYR X 55 70.660 -7.001 -8.741 1.00 0.00 O ATOM 841 CB TYR X 55 70.542 -3.896 -10.065 1.00 0.00 C ATOM 842 CG TYR X 55 69.454 -3.019 -10.631 1.00 0.00 C ATOM 843 CD1 TYR X 55 68.359 -3.572 -11.278 1.00 0.00 C ATOM 844 CD2 TYR X 55 69.537 -1.644 -10.552 1.00 0.00 C ATOM 845 CE1 TYR X 55 67.382 -2.770 -11.828 1.00 0.00 C ATOM 846 CE2 TYR X 55 68.565 -0.838 -11.089 1.00 0.00 C ATOM 847 CZ TYR X 55 67.492 -1.404 -11.729 1.00 0.00 C ATOM 848 OH TYR X 55 66.530 -0.598 -12.293 1.00 0.00 O ATOM 0 H TYR X 55 70.628 -2.797 -7.928 1.00 0.00 H new ATOM 0 HA TYR X 55 69.167 -4.994 -8.834 1.00 0.00 H new ATOM 0 HB2 TYR X 55 71.422 -3.280 -9.881 1.00 0.00 H new ATOM 0 HB3 TYR X 55 70.820 -4.632 -10.819 1.00 0.00 H new ATOM 0 HD1 TYR X 55 68.271 -4.646 -11.352 1.00 0.00 H new ATOM 0 HD2 TYR X 55 70.384 -1.193 -10.057 1.00 0.00 H new ATOM 0 HE1 TYR X 55 66.536 -3.212 -12.333 1.00 0.00 H new ATOM 0 HE2 TYR X 55 68.644 0.236 -11.008 1.00 0.00 H new ATOM 0 HH TYR X 55 66.756 0.342 -12.133 1.00 0.00 H new ATOM 858 N GLU X 56 72.371 -5.598 -8.292 1.00 0.00 N ATOM 859 CA GLU X 56 73.338 -6.672 -8.149 1.00 0.00 C ATOM 860 C GLU X 56 73.073 -7.532 -6.934 1.00 0.00 C ATOM 861 O GLU X 56 73.108 -8.749 -7.032 1.00 0.00 O ATOM 862 CB GLU X 56 74.805 -6.187 -8.223 1.00 0.00 C ATOM 863 CG GLU X 56 75.141 -4.982 -7.375 1.00 0.00 C ATOM 864 CD GLU X 56 76.571 -4.538 -7.535 1.00 0.00 C ATOM 865 OE1 GLU X 56 76.899 -3.906 -8.560 1.00 0.00 O ATOM 866 OE2 GLU X 56 77.394 -4.823 -6.649 1.00 0.00 O ATOM 0 H GLU X 56 72.746 -4.664 -8.123 1.00 0.00 H new ATOM 0 HA GLU X 56 73.196 -7.313 -9.019 1.00 0.00 H new ATOM 0 HB2 GLU X 56 75.456 -7.010 -7.926 1.00 0.00 H new ATOM 0 HB3 GLU X 56 75.039 -5.954 -9.262 1.00 0.00 H new ATOM 0 HG2 GLU X 56 74.478 -4.159 -7.641 1.00 0.00 H new ATOM 0 HG3 GLU X 56 74.953 -5.217 -6.327 1.00 0.00 H new ATOM 873 N ALA X 57 72.740 -6.919 -5.811 1.00 0.00 N ATOM 874 CA ALA X 57 72.477 -7.676 -4.594 1.00 0.00 C ATOM 875 C ALA X 57 71.288 -8.601 -4.770 1.00 0.00 C ATOM 876 O ALA X 57 71.309 -9.741 -4.297 1.00 0.00 O ATOM 877 CB ALA X 57 72.264 -6.765 -3.408 1.00 0.00 C ATOM 0 H ALA X 57 72.645 -5.908 -5.714 1.00 0.00 H new ATOM 0 HA ALA X 57 73.360 -8.284 -4.397 1.00 0.00 H new ATOM 0 HB1 ALA X 57 72.071 -7.365 -2.519 1.00 0.00 H new ATOM 0 HB2 ALA X 57 73.156 -6.159 -3.250 1.00 0.00 H new ATOM 0 HB3 ALA X 57 71.411 -6.113 -3.598 1.00 0.00 H new ATOM 883 N ALA X 58 70.261 -8.123 -5.466 1.00 0.00 N ATOM 884 CA ALA X 58 69.073 -8.918 -5.700 1.00 0.00 C ATOM 885 C ALA X 58 69.389 -10.134 -6.577 1.00 0.00 C ATOM 886 O ALA X 58 69.056 -11.271 -6.219 1.00 0.00 O ATOM 887 CB ALA X 58 67.976 -8.068 -6.328 1.00 0.00 C ATOM 0 H ALA X 58 70.233 -7.189 -5.875 1.00 0.00 H new ATOM 0 HA ALA X 58 68.715 -9.284 -4.738 1.00 0.00 H new ATOM 0 HB1 ALA X 58 67.091 -8.682 -6.497 1.00 0.00 H new ATOM 0 HB2 ALA X 58 67.725 -7.246 -5.658 1.00 0.00 H new ATOM 0 HB3 ALA X 58 68.326 -7.667 -7.279 1.00 0.00 H new ATOM 893 N ALA X 59 70.095 -9.895 -7.681 1.00 0.00 N ATOM 894 CA ALA X 59 70.417 -10.952 -8.642 1.00 0.00 C ATOM 895 C ALA X 59 71.403 -11.960 -8.062 1.00 0.00 C ATOM 896 O ALA X 59 71.206 -13.176 -8.167 1.00 0.00 O ATOM 897 CB ALA X 59 70.977 -10.349 -9.925 1.00 0.00 C ATOM 0 H ALA X 59 70.457 -8.975 -7.934 1.00 0.00 H new ATOM 0 HA ALA X 59 69.493 -11.483 -8.869 1.00 0.00 H new ATOM 0 HB1 ALA X 59 71.212 -11.147 -10.630 1.00 0.00 H new ATOM 0 HB2 ALA X 59 70.237 -9.681 -10.366 1.00 0.00 H new ATOM 0 HB3 ALA X 59 71.883 -9.787 -9.698 1.00 0.00 H new ATOM 903 N ARG X 60 72.425 -11.451 -7.392 1.00 0.00 N ATOM 904 CA ARG X 60 73.474 -12.293 -6.821 1.00 0.00 C ATOM 905 C ARG X 60 72.945 -13.189 -5.720 1.00 0.00 C ATOM 906 O ARG X 60 73.430 -14.296 -5.542 1.00 0.00 O ATOM 907 CB ARG X 60 74.664 -11.452 -6.344 1.00 0.00 C ATOM 908 CG ARG X 60 75.383 -10.762 -7.490 1.00 0.00 C ATOM 909 CD ARG X 60 76.445 -9.786 -7.026 1.00 0.00 C ATOM 910 NE ARG X 60 77.059 -9.118 -8.173 1.00 0.00 N ATOM 911 CZ ARG X 60 77.895 -8.083 -8.127 1.00 0.00 C ATOM 912 NH1 ARG X 60 78.267 -7.570 -6.964 1.00 0.00 N ATOM 913 NH2 ARG X 60 78.346 -7.557 -9.261 1.00 0.00 N ATOM 0 H ARG X 60 72.554 -10.453 -7.228 1.00 0.00 H new ATOM 0 HA ARG X 60 73.831 -12.948 -7.616 1.00 0.00 H new ATOM 0 HB2 ARG X 60 74.314 -10.702 -5.634 1.00 0.00 H new ATOM 0 HB3 ARG X 60 75.367 -12.092 -5.811 1.00 0.00 H new ATOM 0 HG2 ARG X 60 75.845 -11.516 -8.127 1.00 0.00 H new ATOM 0 HG3 ARG X 60 74.653 -10.231 -8.102 1.00 0.00 H new ATOM 0 HD2 ARG X 60 76.002 -9.046 -6.360 1.00 0.00 H new ATOM 0 HD3 ARG X 60 77.208 -10.314 -6.453 1.00 0.00 H new ATOM 0 HE ARG X 60 76.824 -9.480 -9.097 1.00 0.00 H new ATOM 0 HH11 ARG X 60 77.913 -7.968 -6.094 1.00 0.00 H new ATOM 0 HH12 ARG X 60 78.908 -6.777 -6.938 1.00 0.00 H new ATOM 0 HH21 ARG X 60 78.051 -7.946 -10.156 1.00 0.00 H new ATOM 0 HH22 ARG X 60 78.987 -6.764 -9.236 1.00 0.00 H new ATOM 927 N ALA X 61 71.935 -12.724 -5.004 1.00 0.00 N ATOM 928 CA ALA X 61 71.338 -13.519 -3.940 1.00 0.00 C ATOM 929 C ALA X 61 70.474 -14.629 -4.508 1.00 0.00 C ATOM 930 O ALA X 61 70.434 -15.724 -3.962 1.00 0.00 O ATOM 931 CB ALA X 61 70.517 -12.656 -3.022 1.00 0.00 C ATOM 0 H ALA X 61 71.512 -11.806 -5.138 1.00 0.00 H new ATOM 0 HA ALA X 61 72.152 -13.967 -3.369 1.00 0.00 H new ATOM 0 HB1 ALA X 61 70.082 -13.273 -2.236 1.00 0.00 H new ATOM 0 HB2 ALA X 61 71.154 -11.893 -2.574 1.00 0.00 H new ATOM 0 HB3 ALA X 61 69.720 -12.176 -3.590 1.00 0.00 H new ATOM 937 N ALA X 62 69.799 -14.344 -5.617 1.00 0.00 N ATOM 938 CA ALA X 62 68.918 -15.313 -6.260 1.00 0.00 C ATOM 939 C ALA X 62 69.697 -16.546 -6.710 1.00 0.00 C ATOM 940 O ALA X 62 69.255 -17.686 -6.504 1.00 0.00 O ATOM 941 CB ALA X 62 68.180 -14.676 -7.433 1.00 0.00 C ATOM 0 H ALA X 62 69.846 -13.443 -6.092 1.00 0.00 H new ATOM 0 HA ALA X 62 68.177 -15.635 -5.528 1.00 0.00 H new ATOM 0 HB1 ALA X 62 67.529 -15.416 -7.898 1.00 0.00 H new ATOM 0 HB2 ALA X 62 67.581 -13.839 -7.075 1.00 0.00 H new ATOM 0 HB3 ALA X 62 68.903 -14.317 -8.166 1.00 0.00 H new ATOM 947 N ALA X 63 70.854 -16.316 -7.304 1.00 0.00 N ATOM 948 CA ALA X 63 71.717 -17.402 -7.731 1.00 0.00 C ATOM 949 C ALA X 63 72.491 -17.945 -6.543 1.00 0.00 C ATOM 950 O ALA X 63 72.531 -19.156 -6.313 1.00 0.00 O ATOM 951 CB ALA X 63 72.671 -16.925 -8.806 1.00 0.00 C ATOM 0 H ALA X 63 71.218 -15.384 -7.502 1.00 0.00 H new ATOM 0 HA ALA X 63 71.101 -18.200 -8.146 1.00 0.00 H new ATOM 0 HB1 ALA X 63 73.312 -17.750 -9.116 1.00 0.00 H new ATOM 0 HB2 ALA X 63 72.102 -16.565 -9.663 1.00 0.00 H new ATOM 0 HB3 ALA X 63 73.287 -16.116 -8.413 1.00 0.00 H new ATOM 957 N ASN X 64 73.081 -17.025 -5.793 1.00 0.00 N ATOM 958 CA ASN X 64 73.880 -17.291 -4.592 1.00 0.00 C ATOM 959 C ASN X 64 75.116 -18.159 -4.869 1.00 0.00 C ATOM 960 O ASN X 64 75.056 -19.398 -4.848 1.00 0.00 O ATOM 961 CB ASN X 64 73.043 -17.848 -3.431 1.00 0.00 C ATOM 962 CG ASN X 64 73.866 -18.044 -2.172 1.00 0.00 C ATOM 963 OD1 ASN X 64 74.431 -19.107 -1.942 1.00 0.00 O ATOM 964 ND2 ASN X 64 73.958 -17.021 -1.360 1.00 0.00 N ATOM 0 H ASN X 64 73.017 -16.030 -6.009 1.00 0.00 H new ATOM 0 HA ASN X 64 74.252 -16.317 -4.275 1.00 0.00 H new ATOM 0 HB2 ASN X 64 72.218 -17.167 -3.221 1.00 0.00 H new ATOM 0 HB3 ASN X 64 72.603 -18.800 -3.727 1.00 0.00 H new ATOM 0 HD21 ASN X 64 74.512 -17.095 -0.507 1.00 0.00 H new ATOM 0 HD22 ASN X 64 73.475 -16.150 -1.580 1.00 0.00 H new ATOM 971 N PRO X 65 76.250 -17.520 -5.170 1.00 0.00 N ATOM 972 CA PRO X 65 77.501 -18.217 -5.436 1.00 0.00 C ATOM 973 C PRO X 65 78.351 -18.406 -4.168 1.00 0.00 C ATOM 974 O PRO X 65 79.464 -18.928 -4.219 1.00 0.00 O ATOM 975 CB PRO X 65 78.201 -17.272 -6.407 1.00 0.00 C ATOM 976 CG PRO X 65 77.762 -15.902 -5.984 1.00 0.00 C ATOM 977 CD PRO X 65 76.400 -16.053 -5.339 1.00 0.00 C ATOM 0 HA PRO X 65 77.343 -19.225 -5.819 1.00 0.00 H new ATOM 0 HB2 PRO X 65 79.285 -17.376 -6.350 1.00 0.00 H new ATOM 0 HB3 PRO X 65 77.915 -17.479 -7.438 1.00 0.00 H new ATOM 0 HG2 PRO X 65 78.475 -15.468 -5.283 1.00 0.00 H new ATOM 0 HG3 PRO X 65 77.710 -15.232 -6.842 1.00 0.00 H new ATOM 0 HD2 PRO X 65 76.350 -15.533 -4.382 1.00 0.00 H new ATOM 0 HD3 PRO X 65 75.611 -15.640 -5.968 1.00 0.00 H new ATOM 985 N GLY X 66 77.818 -17.981 -3.046 1.00 0.00 N ATOM 986 CA GLY X 66 78.537 -18.060 -1.806 1.00 0.00 C ATOM 987 C GLY X 66 78.880 -16.685 -1.306 1.00 0.00 C ATOM 988 O GLY X 66 78.852 -15.717 -2.086 1.00 0.00 O ATOM 0 H GLY X 66 76.885 -17.576 -2.972 1.00 0.00 H new ATOM 0 HA2 GLY X 66 77.935 -18.584 -1.063 1.00 0.00 H new ATOM 0 HA3 GLY X 66 79.449 -18.641 -1.944 1.00 0.00 H new ATOM 992 N GLY X 67 79.185 -16.582 -0.033 1.00 0.00 N ATOM 993 CA GLY X 67 79.507 -15.302 0.561 1.00 0.00 C ATOM 994 C GLY X 67 78.257 -14.495 0.851 1.00 0.00 C ATOM 995 O GLY X 67 77.132 -14.947 0.558 1.00 0.00 O ATOM 0 H GLY X 67 79.217 -17.370 0.614 1.00 0.00 H new ATOM 0 HA2 GLY X 67 80.063 -15.458 1.485 1.00 0.00 H new ATOM 0 HA3 GLY X 67 80.156 -14.741 -0.111 1.00 0.00 H new ATOM 999 N ASP X 68 78.425 -13.339 1.438 1.00 0.00 N ATOM 1000 CA ASP X 68 77.297 -12.452 1.702 1.00 0.00 C ATOM 1001 C ASP X 68 77.342 -11.343 0.644 1.00 0.00 C ATOM 1002 O ASP X 68 78.114 -11.449 -0.312 1.00 0.00 O ATOM 1003 CB ASP X 68 77.386 -11.882 3.135 1.00 0.00 C ATOM 1004 CG ASP X 68 76.080 -11.276 3.645 1.00 0.00 C ATOM 1005 OD1 ASP X 68 75.246 -12.010 4.249 1.00 0.00 O ATOM 1006 OD2 ASP X 68 75.875 -10.069 3.482 1.00 0.00 O ATOM 0 H ASP X 68 79.328 -12.980 1.747 1.00 0.00 H new ATOM 0 HA ASP X 68 76.349 -12.986 1.639 1.00 0.00 H new ATOM 0 HB2 ASP X 68 77.694 -12.678 3.813 1.00 0.00 H new ATOM 0 HB3 ASP X 68 78.164 -11.119 3.164 1.00 0.00 H new ATOM 1011 N GLY X 69 76.560 -10.308 0.786 1.00 0.00 N ATOM 1012 CA GLY X 69 76.532 -9.262 -0.222 1.00 0.00 C ATOM 1013 C GLY X 69 75.270 -9.327 -1.023 1.00 0.00 C ATOM 1014 O GLY X 69 74.734 -8.302 -1.461 1.00 0.00 O ATOM 0 H GLY X 69 75.936 -10.159 1.579 1.00 0.00 H new ATOM 0 HA2 GLY X 69 76.613 -8.287 0.258 1.00 0.00 H new ATOM 0 HA3 GLY X 69 77.393 -9.365 -0.883 1.00 0.00 H new ATOM 1018 N GLY X 70 74.790 -10.528 -1.208 1.00 0.00 N ATOM 1019 CA GLY X 70 73.569 -10.732 -1.891 1.00 0.00 C ATOM 1020 C GLY X 70 72.413 -10.565 -0.952 1.00 0.00 C ATOM 1021 O GLY X 70 72.505 -10.914 0.233 1.00 0.00 O ATOM 0 H GLY X 70 75.244 -11.382 -0.885 1.00 0.00 H new ATOM 0 HA2 GLY X 70 73.482 -10.023 -2.715 1.00 0.00 H new ATOM 0 HA3 GLY X 70 73.551 -11.731 -2.327 1.00 0.00 H new ATOM 1025 N GLY X 71 71.347 -10.016 -1.451 1.00 0.00 N ATOM 1026 CA GLY X 71 70.176 -9.833 -0.661 1.00 0.00 C ATOM 1027 C GLY X 71 70.181 -8.512 0.052 1.00 0.00 C ATOM 1028 O GLY X 71 71.230 -7.877 0.181 1.00 0.00 O ATOM 0 H GLY X 71 71.268 -9.685 -2.413 1.00 0.00 H new ATOM 0 HA2 GLY X 71 69.294 -9.898 -1.299 1.00 0.00 H new ATOM 0 HA3 GLY X 71 70.101 -10.639 0.069 1.00 0.00 H new ATOM 1032 N PRO X 72 69.027 -8.095 0.561 1.00 0.00 N ATOM 1033 CA PRO X 72 68.845 -6.799 1.216 1.00 0.00 C ATOM 1034 C PRO X 72 69.795 -6.552 2.386 1.00 0.00 C ATOM 1035 O PRO X 72 70.297 -5.458 2.557 1.00 0.00 O ATOM 1036 CB PRO X 72 67.391 -6.827 1.670 1.00 0.00 C ATOM 1037 CG PRO X 72 67.003 -8.266 1.643 1.00 0.00 C ATOM 1038 CD PRO X 72 67.778 -8.865 0.527 1.00 0.00 C ATOM 0 HA PRO X 72 69.075 -5.979 0.535 1.00 0.00 H new ATOM 0 HB2 PRO X 72 67.282 -6.408 2.670 1.00 0.00 H new ATOM 0 HB3 PRO X 72 66.759 -6.236 1.007 1.00 0.00 H new ATOM 0 HG2 PRO X 72 67.237 -8.753 2.589 1.00 0.00 H new ATOM 0 HG3 PRO X 72 65.931 -8.380 1.482 1.00 0.00 H new ATOM 0 HD2 PRO X 72 67.953 -9.930 0.680 1.00 0.00 H new ATOM 0 HD3 PRO X 72 67.262 -8.761 -0.428 1.00 0.00 H new ATOM 1046 N GLU X 73 70.069 -7.573 3.144 1.00 0.00 N ATOM 1047 CA GLU X 73 70.958 -7.466 4.283 1.00 0.00 C ATOM 1048 C GLU X 73 72.419 -7.657 3.882 1.00 0.00 C ATOM 1049 O GLU X 73 73.306 -7.679 4.740 1.00 0.00 O ATOM 1050 CB GLU X 73 70.546 -8.407 5.410 1.00 0.00 C ATOM 1051 CG GLU X 73 69.128 -8.176 5.910 1.00 0.00 C ATOM 1052 CD GLU X 73 68.814 -8.956 7.157 1.00 0.00 C ATOM 1053 OE1 GLU X 73 69.199 -8.511 8.260 1.00 0.00 O ATOM 1054 OE2 GLU X 73 68.181 -10.022 7.069 1.00 0.00 O ATOM 0 H GLU X 73 69.687 -8.507 2.997 1.00 0.00 H new ATOM 0 HA GLU X 73 70.867 -6.450 4.668 1.00 0.00 H new ATOM 0 HB2 GLU X 73 70.637 -9.437 5.064 1.00 0.00 H new ATOM 0 HB3 GLU X 73 71.239 -8.288 6.243 1.00 0.00 H new ATOM 0 HG2 GLU X 73 68.986 -7.113 6.106 1.00 0.00 H new ATOM 0 HG3 GLU X 73 68.422 -8.453 5.127 1.00 0.00 H new ATOM 1061 N GLY X 74 72.676 -7.834 2.620 1.00 0.00 N ATOM 1062 CA GLY X 74 74.042 -7.885 2.198 1.00 0.00 C ATOM 1063 C GLY X 74 74.470 -6.634 1.485 1.00 0.00 C ATOM 1064 O GLY X 74 75.640 -6.264 1.538 1.00 0.00 O ATOM 0 H GLY X 74 71.979 -7.943 1.883 1.00 0.00 H new ATOM 0 HA2 GLY X 74 74.682 -8.041 3.067 1.00 0.00 H new ATOM 0 HA3 GLY X 74 74.184 -8.742 1.539 1.00 0.00 H new ATOM 1068 N ILE X 75 73.522 -5.958 0.844 1.00 0.00 N ATOM 1069 CA ILE X 75 73.803 -4.668 0.171 1.00 0.00 C ATOM 1070 C ILE X 75 74.271 -3.694 1.202 1.00 0.00 C ATOM 1071 O ILE X 75 75.161 -2.885 0.981 1.00 0.00 O ATOM 1072 CB ILE X 75 72.549 -3.998 -0.389 1.00 0.00 C ATOM 1073 CG1 ILE X 75 71.373 -4.943 -0.471 1.00 0.00 C ATOM 1074 CG2 ILE X 75 72.847 -3.362 -1.730 1.00 0.00 C ATOM 1075 CD1 ILE X 75 70.134 -4.271 -0.913 1.00 0.00 C ATOM 0 H ILE X 75 72.553 -6.269 0.769 1.00 0.00 H new ATOM 0 HA ILE X 75 74.515 -4.893 -0.623 1.00 0.00 H new ATOM 0 HB ILE X 75 72.258 -3.214 0.310 1.00 0.00 H new ATOM 0 HG12 ILE X 75 71.609 -5.752 -1.162 1.00 0.00 H new ATOM 0 HG13 ILE X 75 71.207 -5.397 0.506 1.00 0.00 H new ATOM 0 HG21 ILE X 75 71.945 -2.889 -2.117 1.00 0.00 H new ATOM 0 HG22 ILE X 75 73.628 -2.611 -1.611 1.00 0.00 H new ATOM 0 HG23 ILE X 75 73.183 -4.128 -2.429 1.00 0.00 H new ATOM 0 HD11 ILE X 75 69.321 -4.996 -0.954 1.00 0.00 H new ATOM 0 HD12 ILE X 75 69.878 -3.479 -0.209 1.00 0.00 H new ATOM 0 HD13 ILE X 75 70.287 -3.841 -1.903 1.00 0.00 H new ATOM 1087 N VAL X 76 73.620 -3.784 2.332 1.00 0.00 N ATOM 1088 CA VAL X 76 73.815 -2.953 3.431 1.00 0.00 C ATOM 1089 C VAL X 76 75.242 -3.004 3.960 1.00 0.00 C ATOM 1090 O VAL X 76 75.770 -2.015 4.432 1.00 0.00 O ATOM 1091 CB VAL X 76 72.789 -3.279 4.487 1.00 0.00 C ATOM 1092 CG1 VAL X 76 71.402 -3.000 3.991 1.00 0.00 C ATOM 1093 CG2 VAL X 76 72.898 -4.679 5.002 1.00 0.00 C ATOM 0 H VAL X 76 72.902 -4.491 2.492 1.00 0.00 H new ATOM 0 HA VAL X 76 73.673 -1.919 3.116 1.00 0.00 H new ATOM 0 HB VAL X 76 73.000 -2.623 5.331 1.00 0.00 H new ATOM 0 HG11 VAL X 76 70.681 -3.243 4.771 1.00 0.00 H new ATOM 0 HG12 VAL X 76 71.314 -1.945 3.731 1.00 0.00 H new ATOM 0 HG13 VAL X 76 71.202 -3.609 3.109 1.00 0.00 H new ATOM 0 HG21 VAL X 76 72.132 -4.849 5.758 1.00 0.00 H new ATOM 0 HG22 VAL X 76 72.758 -5.381 4.180 1.00 0.00 H new ATOM 0 HG23 VAL X 76 73.883 -4.829 5.443 1.00 0.00 H new ATOM 1103 N LYS X 77 75.836 -4.157 3.860 1.00 0.00 N ATOM 1104 CA LYS X 77 77.251 -4.346 4.157 1.00 0.00 C ATOM 1105 C LYS X 77 78.096 -3.466 3.233 1.00 0.00 C ATOM 1106 O LYS X 77 78.919 -2.693 3.700 1.00 0.00 O ATOM 1107 CB LYS X 77 77.652 -5.824 3.988 1.00 0.00 C ATOM 1108 CG LYS X 77 79.160 -6.076 3.952 1.00 0.00 C ATOM 1109 CD LYS X 77 79.475 -7.541 3.688 1.00 0.00 C ATOM 1110 CE LYS X 77 80.949 -7.767 3.330 1.00 0.00 C ATOM 1111 NZ LYS X 77 81.891 -7.284 4.365 1.00 0.00 N ATOM 0 H LYS X 77 75.359 -5.010 3.568 1.00 0.00 H new ATOM 0 HA LYS X 77 77.430 -4.058 5.193 1.00 0.00 H new ATOM 0 HB2 LYS X 77 77.220 -6.400 4.807 1.00 0.00 H new ATOM 0 HB3 LYS X 77 77.212 -6.203 3.066 1.00 0.00 H new ATOM 0 HG2 LYS X 77 79.614 -5.460 3.176 1.00 0.00 H new ATOM 0 HG3 LYS X 77 79.603 -5.773 4.900 1.00 0.00 H new ATOM 0 HD2 LYS X 77 79.224 -8.129 4.571 1.00 0.00 H new ATOM 0 HD3 LYS X 77 78.847 -7.904 2.875 1.00 0.00 H new ATOM 0 HE2 LYS X 77 81.116 -8.832 3.167 1.00 0.00 H new ATOM 0 HE3 LYS X 77 81.167 -7.263 2.388 1.00 0.00 H new ATOM 0 HZ1 LYS X 77 82.385 -6.438 4.017 1.00 0.00 H new ATOM 0 HZ2 LYS X 77 81.365 -7.046 5.230 1.00 0.00 H new ATOM 0 HZ3 LYS X 77 82.586 -8.028 4.576 1.00 0.00 H new ATOM 1125 N GLU X 78 77.844 -3.566 1.933 1.00 0.00 N ATOM 1126 CA GLU X 78 78.578 -2.786 0.931 1.00 0.00 C ATOM 1127 C GLU X 78 78.383 -1.287 1.222 1.00 0.00 C ATOM 1128 O GLU X 78 79.331 -0.504 1.211 1.00 0.00 O ATOM 1129 CB GLU X 78 78.078 -3.164 -0.495 1.00 0.00 C ATOM 1130 CG GLU X 78 78.827 -2.513 -1.642 1.00 0.00 C ATOM 1131 CD GLU X 78 80.265 -2.934 -1.726 1.00 0.00 C ATOM 1132 OE1 GLU X 78 80.538 -4.076 -2.125 1.00 0.00 O ATOM 1133 OE2 GLU X 78 81.147 -2.113 -1.447 1.00 0.00 O ATOM 0 H GLU X 78 77.132 -4.183 1.541 1.00 0.00 H new ATOM 0 HA GLU X 78 79.644 -3.010 0.980 1.00 0.00 H new ATOM 0 HB2 GLU X 78 78.143 -4.246 -0.609 1.00 0.00 H new ATOM 0 HB3 GLU X 78 77.024 -2.898 -0.574 1.00 0.00 H new ATOM 0 HG2 GLU X 78 78.328 -2.759 -2.579 1.00 0.00 H new ATOM 0 HG3 GLU X 78 78.779 -1.430 -1.530 1.00 0.00 H new ATOM 1140 N ILE X 79 77.154 -0.933 1.553 1.00 0.00 N ATOM 1141 CA ILE X 79 76.787 0.431 1.905 1.00 0.00 C ATOM 1142 C ILE X 79 77.516 0.916 3.168 1.00 0.00 C ATOM 1143 O ILE X 79 78.080 2.028 3.186 1.00 0.00 O ATOM 1144 CB ILE X 79 75.236 0.550 2.109 1.00 0.00 C ATOM 1145 CG1 ILE X 79 74.492 0.372 0.785 1.00 0.00 C ATOM 1146 CG2 ILE X 79 74.834 1.863 2.779 1.00 0.00 C ATOM 1147 CD1 ILE X 79 74.859 1.402 -0.259 1.00 0.00 C ATOM 0 H ILE X 79 76.374 -1.589 1.586 1.00 0.00 H new ATOM 0 HA ILE X 79 77.093 1.068 1.075 1.00 0.00 H new ATOM 0 HB ILE X 79 74.947 -0.257 2.783 1.00 0.00 H new ATOM 0 HG12 ILE X 79 74.701 -0.623 0.391 1.00 0.00 H new ATOM 0 HG13 ILE X 79 73.419 0.422 0.971 1.00 0.00 H new ATOM 0 HG21 ILE X 79 73.751 1.895 2.897 1.00 0.00 H new ATOM 0 HG22 ILE X 79 75.308 1.932 3.758 1.00 0.00 H new ATOM 0 HG23 ILE X 79 75.156 2.701 2.161 1.00 0.00 H new ATOM 0 HD11 ILE X 79 74.293 1.213 -1.171 1.00 0.00 H new ATOM 0 HD12 ILE X 79 74.624 2.399 0.115 1.00 0.00 H new ATOM 0 HD13 ILE X 79 75.926 1.338 -0.474 1.00 0.00 H new ATOM 1159 N LYS X 80 77.538 0.087 4.198 1.00 0.00 N ATOM 1160 CA LYS X 80 78.118 0.489 5.461 1.00 0.00 C ATOM 1161 C LYS X 80 79.624 0.622 5.339 1.00 0.00 C ATOM 1162 O LYS X 80 80.203 1.611 5.778 1.00 0.00 O ATOM 1163 CB LYS X 80 77.720 -0.472 6.632 1.00 0.00 C ATOM 1164 CG LYS X 80 78.431 -1.820 6.689 1.00 0.00 C ATOM 1165 CD LYS X 80 77.949 -2.649 7.873 1.00 0.00 C ATOM 1166 CE LYS X 80 78.692 -3.981 7.988 1.00 0.00 C ATOM 1167 NZ LYS X 80 80.141 -3.806 8.234 1.00 0.00 N ATOM 0 H LYS X 80 77.163 -0.861 4.182 1.00 0.00 H new ATOM 0 HA LYS X 80 77.707 1.467 5.711 1.00 0.00 H new ATOM 0 HB2 LYS X 80 77.901 0.047 7.573 1.00 0.00 H new ATOM 0 HB3 LYS X 80 76.647 -0.656 6.570 1.00 0.00 H new ATOM 0 HG2 LYS X 80 78.254 -2.367 5.763 1.00 0.00 H new ATOM 0 HG3 LYS X 80 79.507 -1.663 6.766 1.00 0.00 H new ATOM 0 HD2 LYS X 80 78.084 -2.079 8.792 1.00 0.00 H new ATOM 0 HD3 LYS X 80 76.881 -2.839 7.770 1.00 0.00 H new ATOM 0 HE2 LYS X 80 78.258 -4.566 8.799 1.00 0.00 H new ATOM 0 HE3 LYS X 80 78.550 -4.552 7.071 1.00 0.00 H new ATOM 0 HZ1 LYS X 80 80.677 -4.154 7.413 1.00 0.00 H new ATOM 0 HZ2 LYS X 80 80.349 -2.798 8.381 1.00 0.00 H new ATOM 0 HZ3 LYS X 80 80.417 -4.343 9.081 1.00 0.00 H new ATOM 1181 N GLU X 81 80.238 -0.331 4.675 1.00 0.00 N ATOM 1182 CA GLU X 81 81.668 -0.379 4.568 1.00 0.00 C ATOM 1183 C GLU X 81 82.208 0.696 3.650 1.00 0.00 C ATOM 1184 O GLU X 81 83.289 1.207 3.866 1.00 0.00 O ATOM 1185 CB GLU X 81 82.134 -1.793 4.227 1.00 0.00 C ATOM 1186 CG GLU X 81 81.584 -2.776 5.249 1.00 0.00 C ATOM 1187 CD GLU X 81 81.990 -4.202 5.088 1.00 0.00 C ATOM 1188 OE1 GLU X 81 82.381 -4.619 3.995 1.00 0.00 O ATOM 1189 OE2 GLU X 81 81.851 -4.968 6.057 1.00 0.00 O ATOM 0 H GLU X 81 79.755 -1.091 4.196 1.00 0.00 H new ATOM 0 HA GLU X 81 82.099 -0.145 5.541 1.00 0.00 H new ATOM 0 HB2 GLU X 81 81.796 -2.066 3.227 1.00 0.00 H new ATOM 0 HB3 GLU X 81 83.223 -1.835 4.218 1.00 0.00 H new ATOM 0 HG2 GLU X 81 81.891 -2.444 6.241 1.00 0.00 H new ATOM 0 HG3 GLU X 81 80.496 -2.726 5.219 1.00 0.00 H new ATOM 1196 N TRP X 82 81.450 1.053 2.638 1.00 0.00 N ATOM 1197 CA TRP X 82 81.827 2.142 1.741 1.00 0.00 C ATOM 1198 C TRP X 82 81.814 3.450 2.513 1.00 0.00 C ATOM 1199 O TRP X 82 82.732 4.287 2.430 1.00 0.00 O ATOM 1200 CB TRP X 82 80.799 2.253 0.644 1.00 0.00 C ATOM 1201 CG TRP X 82 81.194 3.147 -0.481 1.00 0.00 C ATOM 1202 CD1 TRP X 82 81.992 2.824 -1.531 1.00 0.00 C ATOM 1203 CD2 TRP X 82 80.793 4.505 -0.684 1.00 0.00 C ATOM 1204 NE1 TRP X 82 82.100 3.889 -2.380 1.00 0.00 N ATOM 1205 CE2 TRP X 82 81.381 4.932 -1.885 1.00 0.00 C ATOM 1206 CE3 TRP X 82 79.995 5.394 0.030 1.00 0.00 C ATOM 1207 CZ2 TRP X 82 81.197 6.209 -2.393 1.00 0.00 C ATOM 1208 CZ3 TRP X 82 79.816 6.663 -0.466 1.00 0.00 C ATOM 1209 CH2 TRP X 82 80.413 7.061 -1.670 1.00 0.00 C ATOM 0 H TRP X 82 80.562 0.607 2.408 1.00 0.00 H new ATOM 0 HA TRP X 82 82.817 1.945 1.329 1.00 0.00 H new ATOM 0 HB2 TRP X 82 80.599 1.257 0.248 1.00 0.00 H new ATOM 0 HB3 TRP X 82 79.866 2.619 1.073 1.00 0.00 H new ATOM 0 HD1 TRP X 82 82.471 1.867 -1.674 1.00 0.00 H new ATOM 0 HE1 TRP X 82 82.635 3.900 -3.248 1.00 0.00 H new ATOM 0 HE3 TRP X 82 79.526 5.093 0.955 1.00 0.00 H new ATOM 0 HZ2 TRP X 82 81.655 6.517 -3.322 1.00 0.00 H new ATOM 0 HZ3 TRP X 82 79.205 7.366 0.081 1.00 0.00 H new ATOM 0 HH2 TRP X 82 80.249 8.065 -2.034 1.00 0.00 H new ATOM 1220 N ARG X 83 80.761 3.627 3.268 1.00 0.00 N ATOM 1221 CA ARG X 83 80.556 4.827 4.015 1.00 0.00 C ATOM 1222 C ARG X 83 81.634 4.935 5.100 1.00 0.00 C ATOM 1223 O ARG X 83 82.320 5.960 5.190 1.00 0.00 O ATOM 1224 CB ARG X 83 79.179 4.766 4.667 1.00 0.00 C ATOM 1225 CG ARG X 83 78.607 6.076 5.112 1.00 0.00 C ATOM 1226 CD ARG X 83 77.826 6.845 4.045 1.00 0.00 C ATOM 1227 NE ARG X 83 77.319 8.112 4.620 1.00 0.00 N ATOM 1228 CZ ARG X 83 77.146 9.296 3.987 1.00 0.00 C ATOM 1229 NH1 ARG X 83 77.202 9.383 2.659 1.00 0.00 N ATOM 1230 NH2 ARG X 83 76.843 10.380 4.706 1.00 0.00 N ATOM 0 H ARG X 83 80.020 2.934 3.378 1.00 0.00 H new ATOM 0 HA ARG X 83 80.617 5.695 3.359 1.00 0.00 H new ATOM 0 HB2 ARG X 83 78.485 4.309 3.962 1.00 0.00 H new ATOM 0 HB3 ARG X 83 79.237 4.105 5.531 1.00 0.00 H new ATOM 0 HG2 ARG X 83 77.948 5.896 5.962 1.00 0.00 H new ATOM 0 HG3 ARG X 83 79.421 6.707 5.468 1.00 0.00 H new ATOM 0 HD2 ARG X 83 78.468 7.053 3.189 1.00 0.00 H new ATOM 0 HD3 ARG X 83 76.995 6.240 3.681 1.00 0.00 H new ATOM 0 HE ARG X 83 77.071 8.090 5.609 1.00 0.00 H new ATOM 0 HH11 ARG X 83 77.378 8.548 2.100 1.00 0.00 H new ATOM 0 HH12 ARG X 83 77.069 10.285 2.201 1.00 0.00 H new ATOM 0 HH21 ARG X 83 76.745 10.309 5.719 1.00 0.00 H new ATOM 0 HH22 ARG X 83 76.710 11.279 4.242 1.00 0.00 H new ATOM 1244 N ALA X 84 81.850 3.842 5.812 1.00 0.00 N ATOM 1245 CA ALA X 84 82.789 3.780 6.927 1.00 0.00 C ATOM 1246 C ALA X 84 84.223 3.909 6.470 1.00 0.00 C ATOM 1247 O ALA X 84 85.014 4.572 7.119 1.00 0.00 O ATOM 1248 CB ALA X 84 82.598 2.500 7.731 1.00 0.00 C ATOM 0 H ALA X 84 81.373 2.959 5.632 1.00 0.00 H new ATOM 0 HA ALA X 84 82.573 4.632 7.572 1.00 0.00 H new ATOM 0 HB1 ALA X 84 83.310 2.479 8.556 1.00 0.00 H new ATOM 0 HB2 ALA X 84 81.583 2.467 8.127 1.00 0.00 H new ATOM 0 HB3 ALA X 84 82.764 1.637 7.086 1.00 0.00 H new ATOM 1254 N ALA X 85 84.552 3.308 5.335 1.00 0.00 N ATOM 1255 CA ALA X 85 85.913 3.353 4.799 1.00 0.00 C ATOM 1256 C ALA X 85 86.401 4.772 4.574 1.00 0.00 C ATOM 1257 O ALA X 85 87.578 5.058 4.763 1.00 0.00 O ATOM 1258 CB ALA X 85 86.020 2.566 3.518 1.00 0.00 C ATOM 0 H ALA X 85 83.894 2.780 4.762 1.00 0.00 H new ATOM 0 HA ALA X 85 86.554 2.897 5.553 1.00 0.00 H new ATOM 0 HB1 ALA X 85 87.042 2.618 3.143 1.00 0.00 H new ATOM 0 HB2 ALA X 85 85.755 1.526 3.707 1.00 0.00 H new ATOM 0 HB3 ALA X 85 85.340 2.985 2.776 1.00 0.00 H new ATOM 1264 N ASN X 86 85.512 5.669 4.174 1.00 0.00 N ATOM 1265 CA ASN X 86 85.942 7.061 3.962 1.00 0.00 C ATOM 1266 C ASN X 86 85.526 7.929 5.158 1.00 0.00 C ATOM 1267 O ASN X 86 85.676 9.143 5.158 1.00 0.00 O ATOM 1268 CB ASN X 86 85.397 7.602 2.625 1.00 0.00 C ATOM 1269 CG ASN X 86 85.881 9.005 2.249 1.00 0.00 C ATOM 1270 OD1 ASN X 86 86.985 9.423 2.599 1.00 0.00 O ATOM 1271 ND2 ASN X 86 85.068 9.725 1.504 1.00 0.00 N ATOM 0 H ASN X 86 84.526 5.480 3.993 1.00 0.00 H new ATOM 0 HA ASN X 86 87.029 7.096 3.896 1.00 0.00 H new ATOM 0 HB2 ASN X 86 85.678 6.912 1.830 1.00 0.00 H new ATOM 0 HB3 ASN X 86 84.308 7.610 2.670 1.00 0.00 H new ATOM 0 HD21 ASN X 86 85.347 10.658 1.200 1.00 0.00 H new ATOM 0 HD22 ASN X 86 84.160 9.350 1.231 1.00 0.00 H new ATOM 1278 N GLY X 87 84.998 7.277 6.176 1.00 0.00 N ATOM 1279 CA GLY X 87 84.646 7.963 7.401 1.00 0.00 C ATOM 1280 C GLY X 87 83.433 8.832 7.258 1.00 0.00 C ATOM 1281 O GLY X 87 83.401 9.953 7.751 1.00 0.00 O ATOM 0 H GLY X 87 84.804 6.276 6.178 1.00 0.00 H new ATOM 0 HA2 GLY X 87 84.468 7.227 8.185 1.00 0.00 H new ATOM 0 HA3 GLY X 87 85.489 8.575 7.723 1.00 0.00 H new ATOM 1285 N LYS X 88 82.437 8.332 6.581 1.00 0.00 N ATOM 1286 CA LYS X 88 81.259 9.024 6.400 1.00 0.00 C ATOM 1287 C LYS X 88 80.233 8.389 7.312 1.00 0.00 C ATOM 1288 O LYS X 88 80.238 7.168 7.454 1.00 0.00 O ATOM 1289 CB LYS X 88 80.862 8.885 4.948 1.00 0.00 C ATOM 1290 CG LYS X 88 81.810 9.561 3.970 1.00 0.00 C ATOM 1291 CD LYS X 88 81.343 9.505 2.542 1.00 0.00 C ATOM 1292 CE LYS X 88 81.110 8.108 2.035 1.00 0.00 C ATOM 1293 NZ LYS X 88 82.304 7.243 2.082 1.00 0.00 N ATOM 0 H LYS X 88 82.454 7.411 6.143 1.00 0.00 H new ATOM 0 HA LYS X 88 81.349 10.084 6.637 1.00 0.00 H new ATOM 0 HB2 LYS X 88 80.800 7.825 4.701 1.00 0.00 H new ATOM 0 HB3 LYS X 88 79.864 9.303 4.815 1.00 0.00 H new ATOM 0 HG2 LYS X 88 81.936 10.604 4.261 1.00 0.00 H new ATOM 0 HG3 LYS X 88 82.790 9.089 4.042 1.00 0.00 H new ATOM 0 HD2 LYS X 88 80.418 10.074 2.449 1.00 0.00 H new ATOM 0 HD3 LYS X 88 82.083 9.993 1.908 1.00 0.00 H new ATOM 0 HE2 LYS X 88 80.317 7.647 2.624 1.00 0.00 H new ATOM 0 HE3 LYS X 88 80.753 8.161 1.006 1.00 0.00 H new ATOM 0 HZ1 LYS X 88 82.044 6.277 1.797 1.00 0.00 H new ATOM 0 HZ2 LYS X 88 83.027 7.613 1.432 1.00 0.00 H new ATOM 0 HZ3 LYS X 88 82.684 7.228 3.050 1.00 0.00 H new ATOM 1307 N PRO X 89 79.385 9.182 7.969 1.00 0.00 N ATOM 1308 CA PRO X 89 78.373 8.659 8.891 1.00 0.00 C ATOM 1309 C PRO X 89 77.422 7.696 8.198 1.00 0.00 C ATOM 1310 O PRO X 89 76.708 8.072 7.258 1.00 0.00 O ATOM 1311 CB PRO X 89 77.631 9.910 9.380 1.00 0.00 C ATOM 1312 CG PRO X 89 77.975 10.972 8.398 1.00 0.00 C ATOM 1313 CD PRO X 89 79.343 10.647 7.892 1.00 0.00 C ATOM 0 HA PRO X 89 78.818 8.087 9.705 1.00 0.00 H new ATOM 0 HB2 PRO X 89 76.555 9.741 9.417 1.00 0.00 H new ATOM 0 HB3 PRO X 89 77.945 10.187 10.386 1.00 0.00 H new ATOM 0 HG2 PRO X 89 77.254 10.995 7.581 1.00 0.00 H new ATOM 0 HG3 PRO X 89 77.957 11.956 8.867 1.00 0.00 H new ATOM 0 HD2 PRO X 89 79.491 11.002 6.872 1.00 0.00 H new ATOM 0 HD3 PRO X 89 80.119 11.106 8.505 1.00 0.00 H new ATOM 1321 N GLY X 90 77.473 6.451 8.613 1.00 0.00 N ATOM 1322 CA GLY X 90 76.639 5.436 8.041 1.00 0.00 C ATOM 1323 C GLY X 90 75.383 5.254 8.819 1.00 0.00 C ATOM 1324 O GLY X 90 74.680 6.227 9.103 1.00 0.00 O ATOM 0 H GLY X 90 78.093 6.121 9.353 1.00 0.00 H new ATOM 0 HA2 GLY X 90 76.395 5.702 7.013 1.00 0.00 H new ATOM 0 HA3 GLY X 90 77.185 4.493 8.005 1.00 0.00 H new ATOM 1328 N PHE X 91 75.134 4.047 9.232 1.00 0.00 N ATOM 1329 CA PHE X 91 73.905 3.728 9.922 1.00 0.00 C ATOM 1330 C PHE X 91 74.003 4.121 11.370 1.00 0.00 C ATOM 1331 O PHE X 91 75.113 4.191 11.945 1.00 0.00 O ATOM 1332 CB PHE X 91 73.605 2.223 9.851 1.00 0.00 C ATOM 1333 CG PHE X 91 73.604 1.642 8.471 1.00 0.00 C ATOM 1334 CD1 PHE X 91 73.021 2.318 7.418 1.00 0.00 C ATOM 1335 CD2 PHE X 91 74.201 0.419 8.228 1.00 0.00 C ATOM 1336 CE1 PHE X 91 73.034 1.786 6.155 1.00 0.00 C ATOM 1337 CE2 PHE X 91 74.213 -0.121 6.963 1.00 0.00 C ATOM 1338 CZ PHE X 91 73.630 0.562 5.926 1.00 0.00 C ATOM 0 H PHE X 91 75.767 3.257 9.105 1.00 0.00 H new ATOM 0 HA PHE X 91 73.103 4.282 9.433 1.00 0.00 H new ATOM 0 HB2 PHE X 91 74.343 1.692 10.452 1.00 0.00 H new ATOM 0 HB3 PHE X 91 72.632 2.040 10.307 1.00 0.00 H new ATOM 0 HD1 PHE X 91 72.550 3.275 7.591 1.00 0.00 H new ATOM 0 HD2 PHE X 91 74.664 -0.119 9.042 1.00 0.00 H new ATOM 0 HE1 PHE X 91 72.577 2.325 5.338 1.00 0.00 H new ATOM 0 HE2 PHE X 91 74.680 -1.079 6.787 1.00 0.00 H new ATOM 0 HZ PHE X 91 73.637 0.142 4.931 1.00 0.00 H new ATOM 1348 N LYS X 92 72.883 4.409 11.963 1.00 0.00 N ATOM 1349 CA LYS X 92 72.826 4.634 13.335 1.00 0.00 C ATOM 1350 C LYS X 92 72.612 3.289 13.971 1.00 0.00 C ATOM 1351 O LYS X 92 72.444 2.278 13.271 1.00 0.00 O ATOM 1352 CB LYS X 92 71.670 5.542 13.690 1.00 0.00 C ATOM 1353 CG LYS X 92 70.294 4.924 13.513 1.00 0.00 C ATOM 1354 CD LYS X 92 69.181 5.803 14.086 1.00 0.00 C ATOM 1355 CE LYS X 92 69.253 5.913 15.610 1.00 0.00 C ATOM 1356 NZ LYS X 92 68.182 6.771 16.161 1.00 0.00 N ATOM 0 H LYS X 92 71.987 4.490 11.483 1.00 0.00 H new ATOM 0 HA LYS X 92 73.740 5.116 13.681 1.00 0.00 H new ATOM 0 HB2 LYS X 92 71.780 5.857 14.728 1.00 0.00 H new ATOM 0 HB3 LYS X 92 71.731 6.440 13.076 1.00 0.00 H new ATOM 0 HG2 LYS X 92 70.109 4.754 12.452 1.00 0.00 H new ATOM 0 HG3 LYS X 92 70.271 3.950 14.001 1.00 0.00 H new ATOM 0 HD2 LYS X 92 69.247 6.799 13.649 1.00 0.00 H new ATOM 0 HD3 LYS X 92 68.213 5.392 13.799 1.00 0.00 H new ATOM 0 HE2 LYS X 92 69.180 4.918 16.048 1.00 0.00 H new ATOM 0 HE3 LYS X 92 70.224 6.317 15.898 1.00 0.00 H new ATOM 0 HZ1 LYS X 92 68.271 6.816 17.196 1.00 0.00 H new ATOM 0 HZ2 LYS X 92 68.266 7.729 15.765 1.00 0.00 H new ATOM 0 HZ3 LYS X 92 67.255 6.373 15.910 1.00 0.00 H new ATOM 1370 N GLN X 93 72.574 3.256 15.236 1.00 0.00 N ATOM 1371 CA GLN X 93 72.409 2.063 15.904 1.00 0.00 C ATOM 1372 C GLN X 93 71.138 2.067 16.696 1.00 0.00 C ATOM 1373 O GLN X 93 70.710 3.105 17.204 1.00 0.00 O ATOM 1374 CB GLN X 93 73.598 1.842 16.778 1.00 0.00 C ATOM 1375 CG GLN X 93 74.888 1.521 16.019 1.00 0.00 C ATOM 1376 CD GLN X 93 74.715 0.429 14.961 1.00 0.00 C ATOM 1377 OE1 GLN X 93 75.406 0.427 13.939 1.00 0.00 O ATOM 1378 NE2 GLN X 93 73.824 -0.498 15.188 1.00 0.00 N ATOM 0 H GLN X 93 72.659 4.076 15.837 1.00 0.00 H new ATOM 0 HA GLN X 93 72.332 1.244 15.189 1.00 0.00 H new ATOM 0 HB2 GLN X 93 73.759 2.734 17.384 1.00 0.00 H new ATOM 0 HB3 GLN X 93 73.382 1.024 17.465 1.00 0.00 H new ATOM 0 HG2 GLN X 93 75.253 2.428 15.538 1.00 0.00 H new ATOM 0 HG3 GLN X 93 75.652 1.209 16.731 1.00 0.00 H new ATOM 0 HE21 GLN X 93 73.267 -0.471 16.042 1.00 0.00 H new ATOM 0 HE22 GLN X 93 73.685 -1.249 14.512 1.00 0.00 H new ATOM 1387 N GLY X 94 70.516 0.941 16.734 1.00 0.00 N ATOM 1388 CA GLY X 94 69.331 0.760 17.490 1.00 0.00 C ATOM 1389 C GLY X 94 68.816 -0.622 17.281 1.00 0.00 C ATOM 1390 O GLY X 94 67.996 -0.832 16.369 1.00 0.00 O ATOM 1391 OXT GLY X 94 69.273 -1.540 17.980 1.00 0.00 O ATOM 0 H GLY X 94 70.823 0.108 16.232 1.00 0.00 H new ATOM 0 HA2 GLY X 94 69.532 0.929 18.548 1.00 0.00 H new ATOM 0 HA3 GLY X 94 68.579 1.489 17.188 1.00 0.00 H new TER 1395 GLY X 94