USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=14 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= 1.16 USER MOD Set 1.2: X 40 HIS : no HE2:sc= 0.105 K(o=1.3,f=-2.9) USER MOD Single : X 4 LYS NZ :NH3+ -127:sc= 1.33 (180deg=-0.289) 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 11 THR OG1 : rot 180:sc= 0.387 USER MOD Single : X 17 GLN : amide:sc= -0.231 K(o=-0.23,f=-1.2) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 24 LYS NZ :NH3+ 176:sc= 1.15 (180deg=1.04) USER MOD Single : X 26 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : X 30 THR OG1 : rot -80:sc= -0.821! USER MOD Single : X 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 45 THR OG1 : rot -87:sc= 0.4 USER MOD Single : X 47 HIS : no HD1:sc= -3.59! X(o=-3.6!,f=-3.6) USER MOD Single : X 51 THR OG1 : rot 180:sc= 0.0804 USER MOD Single : X 55 TYR OH : rot 180:sc= 0 USER MOD Single : X 77 LYS NZ :NH3+ 173:sc= 0.992 (180deg=0.833) USER MOD Single : X 80 LYS NZ :NH3+ -174:sc= 1.06 (180deg=0.8) USER MOD Single : X 86 ASN : amide:sc= -1.94! C(o=-1.9!,f=-4.4!) USER MOD Single : X 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 92 LYS NZ :NH3+ 166:sc= 1.22 (180deg=1.11) USER MOD Single : X 93 GLN : amide:sc= -0.406 X(o=-0.41,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 16 N LEU X 3 60.642 5.063 6.553 1.00 0.00 N ATOM 17 CA LEU X 3 61.644 5.778 5.806 1.00 0.00 C ATOM 18 C LEU X 3 62.023 7.019 6.556 1.00 0.00 C ATOM 19 O LEU X 3 61.166 7.686 7.143 1.00 0.00 O ATOM 20 CB LEU X 3 61.139 6.155 4.405 1.00 0.00 C ATOM 21 CG LEU X 3 60.615 5.007 3.544 1.00 0.00 C ATOM 22 CD1 LEU X 3 60.300 5.482 2.117 1.00 0.00 C ATOM 23 CD2 LEU X 3 61.601 3.863 3.533 1.00 0.00 C ATOM 0 HA LEU X 3 62.512 5.129 5.685 1.00 0.00 H new ATOM 0 HB2 LEU X 3 60.343 6.892 4.515 1.00 0.00 H new ATOM 0 HB3 LEU X 3 61.952 6.642 3.868 1.00 0.00 H new ATOM 0 HG LEU X 3 59.683 4.650 3.983 1.00 0.00 H new ATOM 0 HD11 LEU X 3 59.929 4.643 1.528 1.00 0.00 H new ATOM 0 HD12 LEU X 3 59.541 6.264 2.153 1.00 0.00 H new ATOM 0 HD13 LEU X 3 61.206 5.876 1.657 1.00 0.00 H new ATOM 0 HD21 LEU X 3 61.212 3.054 2.915 1.00 0.00 H new ATOM 0 HD22 LEU X 3 62.552 4.206 3.125 1.00 0.00 H new ATOM 0 HD23 LEU X 3 61.751 3.503 4.551 1.00 0.00 H new ATOM 35 N LYS X 4 63.288 7.298 6.590 1.00 0.00 N ATOM 36 CA LYS X 4 63.790 8.463 7.257 1.00 0.00 C ATOM 37 C LYS X 4 63.989 9.557 6.219 1.00 0.00 C ATOM 38 O LYS X 4 63.366 9.527 5.156 1.00 0.00 O ATOM 39 CB LYS X 4 65.133 8.160 7.951 1.00 0.00 C ATOM 40 CG LYS X 4 65.193 6.871 8.763 1.00 0.00 C ATOM 41 CD LYS X 4 63.966 6.651 9.583 1.00 0.00 C ATOM 42 CE LYS X 4 64.224 5.643 10.677 1.00 0.00 C ATOM 43 NZ LYS X 4 62.985 5.195 11.347 1.00 0.00 N ATOM 0 H LYS X 4 64.008 6.722 6.154 1.00 0.00 H new ATOM 0 HA LYS X 4 63.078 8.780 8.019 1.00 0.00 H new ATOM 0 HB2 LYS X 4 65.912 8.122 7.189 1.00 0.00 H new ATOM 0 HB3 LYS X 4 65.373 8.993 8.612 1.00 0.00 H new ATOM 0 HG2 LYS X 4 65.330 6.027 8.087 1.00 0.00 H new ATOM 0 HG3 LYS X 4 66.063 6.899 9.419 1.00 0.00 H new ATOM 0 HD2 LYS X 4 63.642 7.595 10.021 1.00 0.00 H new ATOM 0 HD3 LYS X 4 63.155 6.301 8.945 1.00 0.00 H new ATOM 0 HE2 LYS X 4 64.736 4.778 10.255 1.00 0.00 H new ATOM 0 HE3 LYS X 4 64.894 6.080 11.417 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 63.082 5.319 12.375 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 62.181 5.759 11.004 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 62.819 4.191 11.134 1.00 0.00 H new ATOM 57 N ASN X 5 64.804 10.529 6.530 1.00 0.00 N ATOM 58 CA ASN X 5 65.124 11.575 5.571 1.00 0.00 C ATOM 59 C ASN X 5 66.597 11.551 5.234 1.00 0.00 C ATOM 60 O ASN X 5 67.008 11.960 4.144 1.00 0.00 O ATOM 61 CB ASN X 5 64.701 12.960 6.071 1.00 0.00 C ATOM 62 CG ASN X 5 63.194 13.127 6.151 1.00 0.00 C ATOM 63 OD1 ASN X 5 62.571 12.838 7.179 1.00 0.00 O ATOM 64 ND2 ASN X 5 62.593 13.580 5.086 1.00 0.00 N ATOM 0 H ASN X 5 65.262 10.626 7.436 1.00 0.00 H new ATOM 0 HA ASN X 5 64.555 11.374 4.664 1.00 0.00 H new ATOM 0 HB2 ASN X 5 65.133 13.132 7.057 1.00 0.00 H new ATOM 0 HB3 ASN X 5 65.111 13.721 5.407 1.00 0.00 H new ATOM 0 HD21 ASN X 5 61.581 13.705 5.086 1.00 0.00 H new ATOM 0 HD22 ASN X 5 63.135 13.810 4.253 1.00 0.00 H new ATOM 71 N SER X 6 67.395 11.073 6.161 1.00 0.00 N ATOM 72 CA SER X 6 68.811 10.939 5.950 1.00 0.00 C ATOM 73 C SER X 6 69.251 9.589 6.494 1.00 0.00 C ATOM 74 O SER X 6 68.495 8.951 7.245 1.00 0.00 O ATOM 75 CB SER X 6 69.575 12.080 6.635 1.00 0.00 C ATOM 76 OG SER X 6 69.404 12.053 8.048 1.00 0.00 O ATOM 0 H SER X 6 67.077 10.767 7.081 1.00 0.00 H new ATOM 0 HA SER X 6 69.032 10.996 4.884 1.00 0.00 H new ATOM 0 HB2 SER X 6 70.636 12.004 6.395 1.00 0.00 H new ATOM 0 HB3 SER X 6 69.228 13.037 6.244 1.00 0.00 H new ATOM 0 HG SER X 6 69.905 12.792 8.452 1.00 0.00 H new ATOM 82 N ILE X 7 70.465 9.165 6.159 1.00 0.00 N ATOM 83 CA ILE X 7 70.998 7.865 6.588 1.00 0.00 C ATOM 84 C ILE X 7 71.222 7.846 8.124 1.00 0.00 C ATOM 85 O ILE X 7 71.358 6.799 8.736 1.00 0.00 O ATOM 86 CB ILE X 7 72.359 7.547 5.860 1.00 0.00 C ATOM 87 CG1 ILE X 7 72.760 6.071 6.054 1.00 0.00 C ATOM 88 CG2 ILE X 7 73.477 8.468 6.365 1.00 0.00 C ATOM 89 CD1 ILE X 7 74.025 5.668 5.311 1.00 0.00 C ATOM 0 H ILE X 7 71.110 9.707 5.584 1.00 0.00 H new ATOM 0 HA ILE X 7 70.266 7.103 6.321 1.00 0.00 H new ATOM 0 HB ILE X 7 72.214 7.727 4.795 1.00 0.00 H new ATOM 0 HG12 ILE X 7 72.900 5.881 7.118 1.00 0.00 H new ATOM 0 HG13 ILE X 7 71.939 5.436 5.722 1.00 0.00 H new ATOM 0 HG21 ILE X 7 74.406 8.229 5.848 1.00 0.00 H new ATOM 0 HG22 ILE X 7 73.209 9.506 6.169 1.00 0.00 H new ATOM 0 HG23 ILE X 7 73.611 8.324 7.437 1.00 0.00 H new ATOM 0 HD11 ILE X 7 74.238 4.616 5.499 1.00 0.00 H new ATOM 0 HD12 ILE X 7 73.884 5.824 4.241 1.00 0.00 H new ATOM 0 HD13 ILE X 7 74.861 6.275 5.659 1.00 0.00 H new ATOM 101 N SER X 8 71.146 9.016 8.730 1.00 0.00 N ATOM 102 CA SER X 8 71.519 9.196 10.101 1.00 0.00 C ATOM 103 C SER X 8 70.461 8.634 11.042 1.00 0.00 C ATOM 104 O SER X 8 70.778 8.216 12.155 1.00 0.00 O ATOM 105 CB SER X 8 71.781 10.684 10.368 1.00 0.00 C ATOM 106 OG SER X 8 72.442 10.900 11.608 1.00 0.00 O ATOM 0 H SER X 8 70.820 9.868 8.273 1.00 0.00 H new ATOM 0 HA SER X 8 72.436 8.640 10.295 1.00 0.00 H new ATOM 0 HB2 SER X 8 72.386 11.095 9.560 1.00 0.00 H new ATOM 0 HB3 SER X 8 70.834 11.224 10.364 1.00 0.00 H new ATOM 0 HG SER X 8 72.590 11.860 11.737 1.00 0.00 H new ATOM 112 N ASP X 9 69.216 8.589 10.607 1.00 0.00 N ATOM 113 CA ASP X 9 68.199 8.041 11.484 1.00 0.00 C ATOM 114 C ASP X 9 67.964 6.586 11.139 1.00 0.00 C ATOM 115 O ASP X 9 67.238 5.865 11.822 1.00 0.00 O ATOM 116 CB ASP X 9 66.886 8.810 11.418 1.00 0.00 C ATOM 117 CG ASP X 9 66.005 8.502 12.621 1.00 0.00 C ATOM 118 OD1 ASP X 9 66.466 8.701 13.779 1.00 0.00 O ATOM 119 OD2 ASP X 9 64.850 8.081 12.458 1.00 0.00 O ATOM 0 H ASP X 9 68.893 8.909 9.694 1.00 0.00 H new ATOM 0 HA ASP X 9 68.568 8.133 12.506 1.00 0.00 H new ATOM 0 HB2 ASP X 9 67.090 9.880 11.378 1.00 0.00 H new ATOM 0 HB3 ASP X 9 66.356 8.552 10.501 1.00 0.00 H new ATOM 124 N TYR X 10 68.622 6.147 10.095 1.00 0.00 N ATOM 125 CA TYR X 10 68.473 4.799 9.628 1.00 0.00 C ATOM 126 C TYR X 10 69.297 3.877 10.441 1.00 0.00 C ATOM 127 O TYR X 10 70.517 3.993 10.469 1.00 0.00 O ATOM 128 CB TYR X 10 68.864 4.627 8.140 1.00 0.00 C ATOM 129 CG TYR X 10 67.750 4.856 7.147 1.00 0.00 C ATOM 130 CD1 TYR X 10 66.815 3.861 6.905 1.00 0.00 C ATOM 131 CD2 TYR X 10 67.625 6.046 6.458 1.00 0.00 C ATOM 132 CE1 TYR X 10 65.788 4.044 6.009 1.00 0.00 C ATOM 133 CE2 TYR X 10 66.594 6.247 5.562 1.00 0.00 C ATOM 134 CZ TYR X 10 65.680 5.242 5.343 1.00 0.00 C ATOM 135 OH TYR X 10 64.639 5.450 4.482 1.00 0.00 O ATOM 0 H TYR X 10 69.272 6.714 9.550 1.00 0.00 H new ATOM 0 HA TYR X 10 67.414 4.561 9.728 1.00 0.00 H new ATOM 0 HB2 TYR X 10 69.677 5.317 7.914 1.00 0.00 H new ATOM 0 HB3 TYR X 10 69.253 3.619 7.998 1.00 0.00 H new ATOM 0 HD1 TYR X 10 66.895 2.922 7.432 1.00 0.00 H new ATOM 0 HD2 TYR X 10 68.346 6.833 6.623 1.00 0.00 H new ATOM 0 HE1 TYR X 10 65.073 3.254 5.830 1.00 0.00 H new ATOM 0 HE2 TYR X 10 66.506 7.186 5.037 1.00 0.00 H new ATOM 0 HH TYR X 10 64.785 6.284 3.988 1.00 0.00 H new ATOM 145 N THR X 11 68.655 2.996 11.144 1.00 0.00 N ATOM 146 CA THR X 11 69.369 1.944 11.758 1.00 0.00 C ATOM 147 C THR X 11 69.672 0.998 10.622 1.00 0.00 C ATOM 148 O THR X 11 68.995 1.079 9.567 1.00 0.00 O ATOM 149 CB THR X 11 68.527 1.222 12.844 1.00 0.00 C ATOM 150 OG1 THR X 11 67.391 0.586 12.254 1.00 0.00 O ATOM 151 CG2 THR X 11 68.039 2.209 13.885 1.00 0.00 C ATOM 0 H THR X 11 67.647 2.992 11.300 1.00 0.00 H new ATOM 0 HA THR X 11 70.259 2.308 12.271 1.00 0.00 H new ATOM 0 HB THR X 11 69.165 0.476 13.317 1.00 0.00 H new ATOM 0 HG1 THR X 11 66.871 0.134 12.951 1.00 0.00 H new ATOM 0 HG21 THR X 11 67.451 1.683 14.637 1.00 0.00 H new ATOM 0 HG22 THR X 11 68.894 2.687 14.362 1.00 0.00 H new ATOM 0 HG23 THR X 11 67.420 2.967 13.405 1.00 0.00 H new ATOM 159 N GLU X 12 70.639 0.142 10.759 1.00 0.00 N ATOM 160 CA GLU X 12 70.926 -0.749 9.671 1.00 0.00 C ATOM 161 C GLU X 12 69.734 -1.632 9.326 1.00 0.00 C ATOM 162 O GLU X 12 69.469 -1.856 8.175 1.00 0.00 O ATOM 163 CB GLU X 12 72.224 -1.514 9.850 1.00 0.00 C ATOM 164 CG GLU X 12 72.417 -2.177 11.183 1.00 0.00 C ATOM 165 CD GLU X 12 73.676 -2.974 11.187 1.00 0.00 C ATOM 166 OE1 GLU X 12 73.807 -3.908 10.372 1.00 0.00 O ATOM 167 OE2 GLU X 12 74.586 -2.665 11.973 1.00 0.00 O ATOM 0 H GLU X 12 71.228 0.040 11.585 1.00 0.00 H new ATOM 0 HA GLU X 12 71.098 -0.124 8.795 1.00 0.00 H new ATOM 0 HB2 GLU X 12 72.283 -2.278 9.074 1.00 0.00 H new ATOM 0 HB3 GLU X 12 73.054 -0.827 9.684 1.00 0.00 H new ATOM 0 HG2 GLU X 12 72.453 -1.423 11.970 1.00 0.00 H new ATOM 0 HG3 GLU X 12 71.568 -2.825 11.401 1.00 0.00 H new ATOM 174 N ALA X 13 68.966 -2.024 10.323 1.00 0.00 N ATOM 175 CA ALA X 13 67.763 -2.812 10.098 1.00 0.00 C ATOM 176 C ALA X 13 66.653 -1.979 9.422 1.00 0.00 C ATOM 177 O ALA X 13 65.902 -2.502 8.597 1.00 0.00 O ATOM 178 CB ALA X 13 67.272 -3.442 11.366 1.00 0.00 C ATOM 0 H ALA X 13 69.152 -1.810 11.303 1.00 0.00 H new ATOM 0 HA ALA X 13 68.031 -3.616 9.413 1.00 0.00 H new ATOM 0 HB1 ALA X 13 66.373 -4.022 11.159 1.00 0.00 H new ATOM 0 HB2 ALA X 13 68.043 -4.099 11.768 1.00 0.00 H new ATOM 0 HB3 ALA X 13 67.042 -2.664 12.094 1.00 0.00 H new ATOM 184 N GLU X 14 66.516 -0.694 9.798 1.00 0.00 N ATOM 185 CA GLU X 14 65.575 0.214 9.105 1.00 0.00 C ATOM 186 C GLU X 14 65.935 0.289 7.647 1.00 0.00 C ATOM 187 O GLU X 14 65.065 0.295 6.763 1.00 0.00 O ATOM 188 CB GLU X 14 65.618 1.643 9.688 1.00 0.00 C ATOM 189 CG GLU X 14 64.809 1.844 10.947 1.00 0.00 C ATOM 190 CD GLU X 14 63.331 1.704 10.695 1.00 0.00 C ATOM 191 OE1 GLU X 14 62.811 0.579 10.752 1.00 0.00 O ATOM 192 OE2 GLU X 14 62.656 2.717 10.422 1.00 0.00 O ATOM 0 H GLU X 14 67.034 -0.264 10.564 1.00 0.00 H new ATOM 0 HA GLU X 14 64.571 -0.188 9.243 1.00 0.00 H new ATOM 0 HB2 GLU X 14 66.656 1.903 9.896 1.00 0.00 H new ATOM 0 HB3 GLU X 14 65.261 2.339 8.930 1.00 0.00 H new ATOM 0 HG2 GLU X 14 65.119 1.117 11.698 1.00 0.00 H new ATOM 0 HG3 GLU X 14 65.015 2.833 11.357 1.00 0.00 H new ATOM 199 N PHE X 15 67.213 0.318 7.417 1.00 0.00 N ATOM 200 CA PHE X 15 67.764 0.419 6.116 1.00 0.00 C ATOM 201 C PHE X 15 67.568 -0.899 5.355 1.00 0.00 C ATOM 202 O PHE X 15 67.149 -0.885 4.205 1.00 0.00 O ATOM 203 CB PHE X 15 69.233 0.796 6.249 1.00 0.00 C ATOM 204 CG PHE X 15 69.889 1.247 4.996 1.00 0.00 C ATOM 205 CD1 PHE X 15 69.659 2.518 4.506 1.00 0.00 C ATOM 206 CD2 PHE X 15 70.753 0.422 4.325 1.00 0.00 C ATOM 207 CE1 PHE X 15 70.283 2.947 3.364 1.00 0.00 C ATOM 208 CE2 PHE X 15 71.388 0.848 3.183 1.00 0.00 C ATOM 209 CZ PHE X 15 71.148 2.110 2.708 1.00 0.00 C ATOM 0 H PHE X 15 67.914 0.270 8.156 1.00 0.00 H new ATOM 0 HA PHE X 15 67.257 1.192 5.539 1.00 0.00 H new ATOM 0 HB2 PHE X 15 69.322 1.589 6.992 1.00 0.00 H new ATOM 0 HB3 PHE X 15 69.778 -0.065 6.635 1.00 0.00 H new ATOM 0 HD1 PHE X 15 68.982 3.179 5.027 1.00 0.00 H new ATOM 0 HD2 PHE X 15 70.937 -0.575 4.698 1.00 0.00 H new ATOM 0 HE1 PHE X 15 70.094 3.940 2.983 1.00 0.00 H new ATOM 0 HE2 PHE X 15 72.071 0.192 2.664 1.00 0.00 H new ATOM 0 HZ PHE X 15 71.644 2.448 1.810 1.00 0.00 H new ATOM 219 N VAL X 16 67.826 -2.045 6.019 1.00 0.00 N ATOM 220 CA VAL X 16 67.642 -3.349 5.372 1.00 0.00 C ATOM 221 C VAL X 16 66.182 -3.547 4.981 1.00 0.00 C ATOM 222 O VAL X 16 65.908 -4.077 3.938 1.00 0.00 O ATOM 223 CB VAL X 16 68.152 -4.601 6.209 1.00 0.00 C ATOM 224 CG1 VAL X 16 69.561 -4.460 6.717 1.00 0.00 C ATOM 225 CG2 VAL X 16 67.201 -5.063 7.293 1.00 0.00 C ATOM 0 H VAL X 16 68.156 -2.089 6.983 1.00 0.00 H new ATOM 0 HA VAL X 16 68.278 -3.313 4.488 1.00 0.00 H new ATOM 0 HB VAL X 16 68.169 -5.405 5.473 1.00 0.00 H new ATOM 0 HG11 VAL X 16 69.837 -5.353 7.278 1.00 0.00 H new ATOM 0 HG12 VAL X 16 70.241 -4.337 5.874 1.00 0.00 H new ATOM 0 HG13 VAL X 16 69.628 -3.588 7.368 1.00 0.00 H new ATOM 0 HG21 VAL X 16 67.630 -5.920 7.812 1.00 0.00 H new ATOM 0 HG22 VAL X 16 67.038 -4.253 8.004 1.00 0.00 H new ATOM 0 HG23 VAL X 16 66.250 -5.349 6.845 1.00 0.00 H new ATOM 235 N GLN X 17 65.264 -3.069 5.826 1.00 0.00 N ATOM 236 CA GLN X 17 63.833 -3.167 5.605 1.00 0.00 C ATOM 237 C GLN X 17 63.487 -2.450 4.305 1.00 0.00 C ATOM 238 O GLN X 17 62.830 -3.017 3.429 1.00 0.00 O ATOM 239 CB GLN X 17 63.153 -2.498 6.794 1.00 0.00 C ATOM 240 CG GLN X 17 61.693 -2.843 7.059 1.00 0.00 C ATOM 241 CD GLN X 17 60.699 -2.333 6.030 1.00 0.00 C ATOM 242 OE1 GLN X 17 60.365 -3.020 5.078 1.00 0.00 O ATOM 243 NE2 GLN X 17 60.216 -1.142 6.228 1.00 0.00 N ATOM 0 H GLN X 17 65.507 -2.596 6.696 1.00 0.00 H new ATOM 0 HA GLN X 17 63.501 -4.202 5.521 1.00 0.00 H new ATOM 0 HB2 GLN X 17 63.724 -2.744 7.689 1.00 0.00 H new ATOM 0 HB3 GLN X 17 63.224 -1.419 6.658 1.00 0.00 H new ATOM 0 HG2 GLN X 17 61.600 -3.927 7.121 1.00 0.00 H new ATOM 0 HG3 GLN X 17 61.416 -2.443 8.034 1.00 0.00 H new ATOM 0 HE21 GLN X 17 60.519 -0.597 7.035 1.00 0.00 H new ATOM 0 HE22 GLN X 17 59.534 -0.753 5.576 1.00 0.00 H new ATOM 252 N LEU X 18 63.992 -1.223 4.176 1.00 0.00 N ATOM 253 CA LEU X 18 63.795 -0.408 2.983 1.00 0.00 C ATOM 254 C LEU X 18 64.308 -1.134 1.773 1.00 0.00 C ATOM 255 O LEU X 18 63.611 -1.286 0.791 1.00 0.00 O ATOM 256 CB LEU X 18 64.555 0.923 3.148 1.00 0.00 C ATOM 257 CG LEU X 18 64.811 1.761 1.875 1.00 0.00 C ATOM 258 CD1 LEU X 18 63.529 2.169 1.185 1.00 0.00 C ATOM 259 CD2 LEU X 18 65.665 2.975 2.193 1.00 0.00 C ATOM 0 H LEU X 18 64.550 -0.768 4.899 1.00 0.00 H new ATOM 0 HA LEU X 18 62.731 -0.212 2.852 1.00 0.00 H new ATOM 0 HB2 LEU X 18 64.000 1.542 3.852 1.00 0.00 H new ATOM 0 HB3 LEU X 18 65.519 0.705 3.607 1.00 0.00 H new ATOM 0 HG LEU X 18 65.356 1.124 1.178 1.00 0.00 H new ATOM 0 HD11 LEU X 18 63.765 2.755 0.297 1.00 0.00 H new ATOM 0 HD12 LEU X 18 62.973 1.278 0.894 1.00 0.00 H new ATOM 0 HD13 LEU X 18 62.924 2.768 1.866 1.00 0.00 H new ATOM 0 HD21 LEU X 18 65.833 3.550 1.283 1.00 0.00 H new ATOM 0 HD22 LEU X 18 65.153 3.598 2.927 1.00 0.00 H new ATOM 0 HD23 LEU X 18 66.623 2.650 2.598 1.00 0.00 H new ATOM 271 N LEU X 19 65.485 -1.639 1.904 1.00 0.00 N ATOM 272 CA LEU X 19 66.158 -2.393 0.858 1.00 0.00 C ATOM 273 C LEU X 19 65.401 -3.625 0.453 1.00 0.00 C ATOM 274 O LEU X 19 65.290 -3.913 -0.730 1.00 0.00 O ATOM 275 CB LEU X 19 67.560 -2.712 1.283 1.00 0.00 C ATOM 276 CG LEU X 19 68.600 -1.662 0.897 1.00 0.00 C ATOM 277 CD1 LEU X 19 68.197 -0.283 1.338 1.00 0.00 C ATOM 278 CD2 LEU X 19 69.889 -2.004 1.512 1.00 0.00 C ATOM 0 H LEU X 19 66.036 -1.547 2.757 1.00 0.00 H new ATOM 0 HA LEU X 19 66.197 -1.767 -0.033 1.00 0.00 H new ATOM 0 HB2 LEU X 19 67.577 -2.839 2.365 1.00 0.00 H new ATOM 0 HB3 LEU X 19 67.849 -3.668 0.845 1.00 0.00 H new ATOM 0 HG LEU X 19 68.680 -1.659 -0.190 1.00 0.00 H new ATOM 0 HD11 LEU X 19 68.965 0.432 1.043 1.00 0.00 H new ATOM 0 HD12 LEU X 19 67.251 -0.013 0.869 1.00 0.00 H new ATOM 0 HD13 LEU X 19 68.083 -0.266 2.422 1.00 0.00 H new ATOM 0 HD21 LEU X 19 70.633 -1.256 1.238 1.00 0.00 H new ATOM 0 HD22 LEU X 19 69.780 -2.027 2.596 1.00 0.00 H new ATOM 0 HD23 LEU X 19 70.212 -2.983 1.159 1.00 0.00 H new ATOM 290 N LYS X 20 64.832 -4.318 1.423 1.00 0.00 N ATOM 291 CA LYS X 20 64.023 -5.487 1.144 1.00 0.00 C ATOM 292 C LYS X 20 62.796 -5.091 0.335 1.00 0.00 C ATOM 293 O LYS X 20 62.307 -5.860 -0.515 1.00 0.00 O ATOM 294 CB LYS X 20 63.566 -6.194 2.416 1.00 0.00 C ATOM 295 CG LYS X 20 64.688 -6.701 3.279 1.00 0.00 C ATOM 296 CD LYS X 20 64.215 -7.769 4.244 1.00 0.00 C ATOM 297 CE LYS X 20 65.348 -8.256 5.128 1.00 0.00 C ATOM 298 NZ LYS X 20 64.943 -9.396 5.970 1.00 0.00 N ATOM 0 H LYS X 20 64.917 -4.089 2.413 1.00 0.00 H new ATOM 0 HA LYS X 20 64.649 -6.177 0.578 1.00 0.00 H new ATOM 0 HB2 LYS X 20 62.956 -5.506 3.001 1.00 0.00 H new ATOM 0 HB3 LYS X 20 62.927 -7.033 2.142 1.00 0.00 H new ATOM 0 HG2 LYS X 20 65.478 -7.106 2.647 1.00 0.00 H new ATOM 0 HG3 LYS X 20 65.120 -5.871 3.838 1.00 0.00 H new ATOM 0 HD2 LYS X 20 63.412 -7.371 4.865 1.00 0.00 H new ATOM 0 HD3 LYS X 20 63.800 -8.608 3.686 1.00 0.00 H new ATOM 0 HE2 LYS X 20 66.193 -8.548 4.505 1.00 0.00 H new ATOM 0 HE3 LYS X 20 65.688 -7.439 5.764 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 65.747 -9.696 6.558 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 64.153 -9.111 6.584 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 64.643 -10.186 5.364 1.00 0.00 H new ATOM 312 N GLU X 21 62.274 -3.916 0.629 1.00 0.00 N ATOM 313 CA GLU X 21 61.152 -3.373 -0.098 1.00 0.00 C ATOM 314 C GLU X 21 61.556 -2.996 -1.499 1.00 0.00 C ATOM 315 O GLU X 21 60.832 -3.291 -2.453 1.00 0.00 O ATOM 316 CB GLU X 21 60.534 -2.178 0.626 1.00 0.00 C ATOM 317 CG GLU X 21 59.860 -2.535 1.929 1.00 0.00 C ATOM 318 CD GLU X 21 58.740 -3.518 1.731 1.00 0.00 C ATOM 319 OE1 GLU X 21 57.603 -3.097 1.426 1.00 0.00 O ATOM 320 OE2 GLU X 21 58.960 -4.741 1.871 1.00 0.00 O ATOM 0 H GLU X 21 62.618 -3.315 1.378 1.00 0.00 H new ATOM 0 HA GLU X 21 60.391 -4.152 -0.154 1.00 0.00 H new ATOM 0 HB2 GLU X 21 61.313 -1.441 0.821 1.00 0.00 H new ATOM 0 HB3 GLU X 21 59.805 -1.705 -0.031 1.00 0.00 H new ATOM 0 HG2 GLU X 21 60.595 -2.956 2.614 1.00 0.00 H new ATOM 0 HG3 GLU X 21 59.470 -1.630 2.396 1.00 0.00 H new ATOM 327 N ILE X 22 62.726 -2.384 -1.616 1.00 0.00 N ATOM 328 CA ILE X 22 63.257 -1.969 -2.902 1.00 0.00 C ATOM 329 C ILE X 22 63.452 -3.181 -3.787 1.00 0.00 C ATOM 330 O ILE X 22 63.084 -3.171 -4.933 1.00 0.00 O ATOM 331 CB ILE X 22 64.605 -1.206 -2.790 1.00 0.00 C ATOM 332 CG1 ILE X 22 64.495 -0.071 -1.772 1.00 0.00 C ATOM 333 CG2 ILE X 22 64.953 -0.634 -4.152 1.00 0.00 C ATOM 334 CD1 ILE X 22 65.744 0.774 -1.617 1.00 0.00 C ATOM 0 H ILE X 22 63.330 -2.163 -0.824 1.00 0.00 H new ATOM 0 HA ILE X 22 62.529 -1.282 -3.333 1.00 0.00 H new ATOM 0 HB ILE X 22 65.383 -1.893 -2.458 1.00 0.00 H new ATOM 0 HG12 ILE X 22 63.669 0.578 -2.062 1.00 0.00 H new ATOM 0 HG13 ILE X 22 64.240 -0.497 -0.802 1.00 0.00 H new ATOM 0 HG21 ILE X 22 65.898 -0.095 -4.089 1.00 0.00 H new ATOM 0 HG22 ILE X 22 65.045 -1.445 -4.874 1.00 0.00 H new ATOM 0 HG23 ILE X 22 64.166 0.049 -4.472 1.00 0.00 H new ATOM 0 HD11 ILE X 22 65.567 1.552 -0.874 1.00 0.00 H new ATOM 0 HD12 ILE X 22 66.572 0.143 -1.293 1.00 0.00 H new ATOM 0 HD13 ILE X 22 65.992 1.235 -2.573 1.00 0.00 H new ATOM 346 N GLU X 23 63.972 -4.259 -3.211 1.00 0.00 N ATOM 347 CA GLU X 23 64.189 -5.501 -3.952 1.00 0.00 C ATOM 348 C GLU X 23 62.890 -5.986 -4.550 1.00 0.00 C ATOM 349 O GLU X 23 62.816 -6.306 -5.733 1.00 0.00 O ATOM 350 CB GLU X 23 64.676 -6.587 -3.021 1.00 0.00 C ATOM 351 CG GLU X 23 66.045 -6.393 -2.443 1.00 0.00 C ATOM 352 CD GLU X 23 66.424 -7.589 -1.638 1.00 0.00 C ATOM 353 OE1 GLU X 23 65.845 -7.797 -0.547 1.00 0.00 O ATOM 354 OE2 GLU X 23 67.224 -8.402 -2.112 1.00 0.00 O ATOM 0 H GLU X 23 64.252 -4.300 -2.231 1.00 0.00 H new ATOM 0 HA GLU X 23 64.924 -5.297 -4.730 1.00 0.00 H new ATOM 0 HB2 GLU X 23 63.966 -6.678 -2.199 1.00 0.00 H new ATOM 0 HB3 GLU X 23 64.662 -7.534 -3.561 1.00 0.00 H new ATOM 0 HG2 GLU X 23 66.769 -6.236 -3.243 1.00 0.00 H new ATOM 0 HG3 GLU X 23 66.063 -5.501 -1.817 1.00 0.00 H new ATOM 361 N LYS X 24 61.874 -5.969 -3.735 1.00 0.00 N ATOM 362 CA LYS X 24 60.571 -6.446 -4.096 1.00 0.00 C ATOM 363 C LYS X 24 59.993 -5.669 -5.274 1.00 0.00 C ATOM 364 O LYS X 24 59.614 -6.270 -6.292 1.00 0.00 O ATOM 365 CB LYS X 24 59.663 -6.377 -2.876 1.00 0.00 C ATOM 366 CG LYS X 24 58.203 -6.733 -3.138 1.00 0.00 C ATOM 367 CD LYS X 24 57.363 -6.677 -1.865 1.00 0.00 C ATOM 368 CE LYS X 24 57.412 -5.306 -1.189 1.00 0.00 C ATOM 369 NZ LYS X 24 56.556 -5.245 0.019 1.00 0.00 N ATOM 0 H LYS X 24 61.931 -5.615 -2.780 1.00 0.00 H new ATOM 0 HA LYS X 24 60.649 -7.483 -4.424 1.00 0.00 H new ATOM 0 HB2 LYS X 24 60.054 -7.049 -2.112 1.00 0.00 H new ATOM 0 HB3 LYS X 24 59.707 -5.368 -2.465 1.00 0.00 H new ATOM 0 HG2 LYS X 24 57.789 -6.046 -3.876 1.00 0.00 H new ATOM 0 HG3 LYS X 24 58.145 -7.733 -3.567 1.00 0.00 H new ATOM 0 HD2 LYS X 24 56.329 -6.923 -2.105 1.00 0.00 H new ATOM 0 HD3 LYS X 24 57.717 -7.435 -1.167 1.00 0.00 H new ATOM 0 HE2 LYS X 24 58.441 -5.075 -0.915 1.00 0.00 H new ATOM 0 HE3 LYS X 24 57.092 -4.542 -1.898 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 56.673 -4.321 0.481 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 55.561 -5.372 -0.254 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 56.833 -6.000 0.679 1.00 0.00 H new ATOM 383 N GLU X 25 59.986 -4.357 -5.174 1.00 0.00 N ATOM 384 CA GLU X 25 59.401 -3.538 -6.210 1.00 0.00 C ATOM 385 C GLU X 25 60.331 -3.360 -7.423 1.00 0.00 C ATOM 386 O GLU X 25 59.874 -3.068 -8.520 1.00 0.00 O ATOM 387 CB GLU X 25 58.820 -2.219 -5.632 1.00 0.00 C ATOM 388 CG GLU X 25 59.774 -1.359 -4.843 1.00 0.00 C ATOM 389 CD GLU X 25 60.650 -0.611 -5.756 1.00 0.00 C ATOM 390 OE1 GLU X 25 60.191 -0.369 -6.883 1.00 0.00 O ATOM 391 OE2 GLU X 25 61.773 -0.288 -5.389 1.00 0.00 O ATOM 0 H GLU X 25 60.378 -3.838 -4.388 1.00 0.00 H new ATOM 0 HA GLU X 25 58.544 -4.075 -6.616 1.00 0.00 H new ATOM 0 HB2 GLU X 25 58.429 -1.626 -6.459 1.00 0.00 H new ATOM 0 HB3 GLU X 25 57.975 -2.469 -4.991 1.00 0.00 H new ATOM 0 HG2 GLU X 25 59.216 -0.667 -4.213 1.00 0.00 H new ATOM 0 HG3 GLU X 25 60.374 -1.982 -4.179 1.00 0.00 H new ATOM 398 N ASN X 26 61.624 -3.555 -7.218 1.00 0.00 N ATOM 399 CA ASN X 26 62.604 -3.533 -8.311 1.00 0.00 C ATOM 400 C ASN X 26 62.418 -4.768 -9.185 1.00 0.00 C ATOM 401 O ASN X 26 62.358 -4.677 -10.414 1.00 0.00 O ATOM 402 CB ASN X 26 64.045 -3.491 -7.756 1.00 0.00 C ATOM 403 CG ASN X 26 65.130 -3.500 -8.826 1.00 0.00 C ATOM 404 OD1 ASN X 26 64.955 -2.980 -9.927 1.00 0.00 O ATOM 405 ND2 ASN X 26 66.254 -4.096 -8.509 1.00 0.00 N ATOM 0 H ASN X 26 62.029 -3.732 -6.299 1.00 0.00 H new ATOM 0 HA ASN X 26 62.443 -2.635 -8.908 1.00 0.00 H new ATOM 0 HB2 ASN X 26 64.161 -2.595 -7.145 1.00 0.00 H new ATOM 0 HB3 ASN X 26 64.193 -4.347 -7.098 1.00 0.00 H new ATOM 0 HD21 ASN X 26 67.017 -4.139 -9.185 1.00 0.00 H new ATOM 0 HD22 ASN X 26 66.366 -4.517 -7.587 1.00 0.00 H new ATOM 412 N VAL X 27 62.282 -5.924 -8.542 1.00 0.00 N ATOM 413 CA VAL X 27 62.075 -7.189 -9.251 1.00 0.00 C ATOM 414 C VAL X 27 60.676 -7.222 -9.904 1.00 0.00 C ATOM 415 O VAL X 27 60.490 -7.778 -10.992 1.00 0.00 O ATOM 416 CB VAL X 27 62.290 -8.421 -8.305 1.00 0.00 C ATOM 417 CG1 VAL X 27 61.996 -9.731 -9.014 1.00 0.00 C ATOM 418 CG2 VAL X 27 63.721 -8.445 -7.784 1.00 0.00 C ATOM 0 H VAL X 27 62.311 -6.014 -7.526 1.00 0.00 H new ATOM 0 HA VAL X 27 62.822 -7.256 -10.042 1.00 0.00 H new ATOM 0 HB VAL X 27 61.594 -8.315 -7.473 1.00 0.00 H new ATOM 0 HG11 VAL X 27 62.156 -10.561 -8.326 1.00 0.00 H new ATOM 0 HG12 VAL X 27 60.960 -9.736 -9.354 1.00 0.00 H new ATOM 0 HG13 VAL X 27 62.660 -9.837 -9.872 1.00 0.00 H new ATOM 0 HG21 VAL X 27 63.855 -9.306 -7.129 1.00 0.00 H new ATOM 0 HG22 VAL X 27 64.413 -8.517 -8.623 1.00 0.00 H new ATOM 0 HG23 VAL X 27 63.921 -7.530 -7.226 1.00 0.00 H new ATOM 428 N ALA X 28 59.707 -6.583 -9.251 1.00 0.00 N ATOM 429 CA ALA X 28 58.343 -6.483 -9.785 1.00 0.00 C ATOM 430 C ALA X 28 58.231 -5.293 -10.744 1.00 0.00 C ATOM 431 O ALA X 28 57.195 -5.090 -11.390 1.00 0.00 O ATOM 432 CB ALA X 28 57.342 -6.333 -8.650 1.00 0.00 C ATOM 0 H ALA X 28 59.838 -6.125 -8.349 1.00 0.00 H new ATOM 0 HA ALA X 28 58.119 -7.398 -10.334 1.00 0.00 H new ATOM 0 HB1 ALA X 28 56.335 -6.260 -9.060 1.00 0.00 H new ATOM 0 HB2 ALA X 28 57.404 -7.201 -7.993 1.00 0.00 H new ATOM 0 HB3 ALA X 28 57.569 -5.431 -8.082 1.00 0.00 H new ATOM 438 N ALA X 29 59.308 -4.526 -10.801 1.00 0.00 N ATOM 439 CA ALA X 29 59.478 -3.339 -11.638 1.00 0.00 C ATOM 440 C ALA X 29 58.352 -2.314 -11.517 1.00 0.00 C ATOM 441 O ALA X 29 57.392 -2.328 -12.295 1.00 0.00 O ATOM 442 CB ALA X 29 59.753 -3.695 -13.092 1.00 0.00 C ATOM 0 H ALA X 29 60.134 -4.722 -10.236 1.00 0.00 H new ATOM 0 HA ALA X 29 60.364 -2.846 -11.238 1.00 0.00 H new ATOM 0 HB1 ALA X 29 59.872 -2.781 -13.674 1.00 0.00 H new ATOM 0 HB2 ALA X 29 60.666 -4.287 -13.155 1.00 0.00 H new ATOM 0 HB3 ALA X 29 58.918 -4.272 -13.489 1.00 0.00 H new ATOM 448 N THR X 30 58.432 -1.469 -10.521 1.00 0.00 N ATOM 449 CA THR X 30 57.489 -0.390 -10.414 1.00 0.00 C ATOM 450 C THR X 30 58.190 0.846 -10.957 1.00 0.00 C ATOM 451 O THR X 30 59.290 0.731 -11.519 1.00 0.00 O ATOM 452 CB THR X 30 57.031 -0.141 -8.941 1.00 0.00 C ATOM 453 OG1 THR X 30 58.053 0.523 -8.173 1.00 0.00 O ATOM 454 CG2 THR X 30 56.683 -1.448 -8.275 1.00 0.00 C ATOM 0 H THR X 30 59.133 -1.507 -9.781 1.00 0.00 H new ATOM 0 HA THR X 30 56.586 -0.632 -10.974 1.00 0.00 H new ATOM 0 HB THR X 30 56.152 0.503 -8.978 1.00 0.00 H new ATOM 0 HG1 THR X 30 58.720 -0.133 -7.880 1.00 0.00 H new ATOM 0 HG21 THR X 30 56.365 -1.260 -7.249 1.00 0.00 H new ATOM 0 HG22 THR X 30 55.874 -1.931 -8.823 1.00 0.00 H new ATOM 0 HG23 THR X 30 57.558 -2.098 -8.271 1.00 0.00 H new ATOM 462 N ASP X 31 57.601 1.997 -10.840 1.00 0.00 N ATOM 463 CA ASP X 31 58.312 3.184 -11.262 1.00 0.00 C ATOM 464 C ASP X 31 58.141 4.307 -10.284 1.00 0.00 C ATOM 465 O ASP X 31 59.042 5.128 -10.116 1.00 0.00 O ATOM 466 CB ASP X 31 57.966 3.631 -12.689 1.00 0.00 C ATOM 467 CG ASP X 31 56.625 4.324 -12.827 1.00 0.00 C ATOM 468 OD1 ASP X 31 55.588 3.648 -12.917 1.00 0.00 O ATOM 469 OD2 ASP X 31 56.592 5.567 -12.873 1.00 0.00 O ATOM 0 H ASP X 31 56.662 2.148 -10.470 1.00 0.00 H new ATOM 0 HA ASP X 31 59.366 2.905 -11.280 1.00 0.00 H new ATOM 0 HB2 ASP X 31 58.746 4.305 -13.044 1.00 0.00 H new ATOM 0 HB3 ASP X 31 57.978 2.758 -13.342 1.00 0.00 H new ATOM 474 N ASP X 32 57.015 4.333 -9.604 1.00 0.00 N ATOM 475 CA ASP X 32 56.746 5.393 -8.644 1.00 0.00 C ATOM 476 C ASP X 32 57.620 5.240 -7.444 1.00 0.00 C ATOM 477 O ASP X 32 58.482 6.067 -7.189 1.00 0.00 O ATOM 478 CB ASP X 32 55.273 5.443 -8.191 1.00 0.00 C ATOM 479 CG ASP X 32 54.276 5.744 -9.278 1.00 0.00 C ATOM 480 OD1 ASP X 32 54.166 6.904 -9.699 1.00 0.00 O ATOM 481 OD2 ASP X 32 53.567 4.811 -9.724 1.00 0.00 O ATOM 0 H ASP X 32 56.273 3.639 -9.694 1.00 0.00 H new ATOM 0 HA ASP X 32 56.963 6.330 -9.158 1.00 0.00 H new ATOM 0 HB2 ASP X 32 55.016 4.485 -7.740 1.00 0.00 H new ATOM 0 HB3 ASP X 32 55.175 6.199 -7.411 1.00 0.00 H new ATOM 486 N VAL X 33 57.455 4.142 -6.754 1.00 0.00 N ATOM 487 CA VAL X 33 58.169 3.939 -5.516 1.00 0.00 C ATOM 488 C VAL X 33 59.593 3.513 -5.805 1.00 0.00 C ATOM 489 O VAL X 33 60.488 3.847 -5.077 1.00 0.00 O ATOM 490 CB VAL X 33 57.435 2.950 -4.568 1.00 0.00 C ATOM 491 CG1 VAL X 33 57.440 1.527 -5.075 1.00 0.00 C ATOM 492 CG2 VAL X 33 57.938 3.043 -3.137 1.00 0.00 C ATOM 0 H VAL X 33 56.837 3.377 -7.024 1.00 0.00 H new ATOM 0 HA VAL X 33 58.201 4.888 -4.980 1.00 0.00 H new ATOM 0 HB VAL X 33 56.392 3.266 -4.563 1.00 0.00 H new ATOM 0 HG11 VAL X 33 56.912 0.887 -4.368 1.00 0.00 H new ATOM 0 HG12 VAL X 33 56.943 1.484 -6.044 1.00 0.00 H new ATOM 0 HG13 VAL X 33 58.469 1.181 -5.179 1.00 0.00 H new ATOM 0 HG21 VAL X 33 57.395 2.333 -2.513 1.00 0.00 H new ATOM 0 HG22 VAL X 33 59.002 2.810 -3.110 1.00 0.00 H new ATOM 0 HG23 VAL X 33 57.778 4.053 -2.760 1.00 0.00 H new ATOM 502 N LEU X 34 59.769 2.882 -6.945 1.00 0.00 N ATOM 503 CA LEU X 34 61.066 2.435 -7.444 1.00 0.00 C ATOM 504 C LEU X 34 61.987 3.613 -7.573 1.00 0.00 C ATOM 505 O LEU X 34 63.101 3.591 -7.063 1.00 0.00 O ATOM 506 CB LEU X 34 60.803 1.719 -8.801 1.00 0.00 C ATOM 507 CG LEU X 34 61.941 1.076 -9.617 1.00 0.00 C ATOM 508 CD1 LEU X 34 62.753 2.098 -10.352 1.00 0.00 C ATOM 509 CD2 LEU X 34 62.819 0.189 -8.752 1.00 0.00 C ATOM 0 H LEU X 34 58.998 2.656 -7.573 1.00 0.00 H new ATOM 0 HA LEU X 34 61.556 1.738 -6.764 1.00 0.00 H new ATOM 0 HB2 LEU X 34 60.073 0.933 -8.606 1.00 0.00 H new ATOM 0 HB3 LEU X 34 60.321 2.447 -9.453 1.00 0.00 H new ATOM 0 HG LEU X 34 61.470 0.441 -10.367 1.00 0.00 H new ATOM 0 HD11 LEU X 34 63.543 1.600 -10.913 1.00 0.00 H new ATOM 0 HD12 LEU X 34 62.110 2.647 -11.040 1.00 0.00 H new ATOM 0 HD13 LEU X 34 63.197 2.792 -9.638 1.00 0.00 H new ATOM 0 HD21 LEU X 34 63.610 -0.247 -9.363 1.00 0.00 H new ATOM 0 HD22 LEU X 34 63.263 0.784 -7.954 1.00 0.00 H new ATOM 0 HD23 LEU X 34 62.215 -0.608 -8.318 1.00 0.00 H new ATOM 521 N ASP X 35 61.507 4.685 -8.165 1.00 0.00 N ATOM 522 CA ASP X 35 62.376 5.851 -8.302 1.00 0.00 C ATOM 523 C ASP X 35 62.579 6.525 -6.981 1.00 0.00 C ATOM 524 O ASP X 35 63.636 7.092 -6.732 1.00 0.00 O ATOM 525 CB ASP X 35 61.921 6.833 -9.379 1.00 0.00 C ATOM 526 CG ASP X 35 62.932 7.948 -9.626 1.00 0.00 C ATOM 527 OD1 ASP X 35 63.942 7.701 -10.328 1.00 0.00 O ATOM 528 OD2 ASP X 35 62.732 9.093 -9.143 1.00 0.00 O ATOM 0 H ASP X 35 60.566 4.782 -8.546 1.00 0.00 H new ATOM 0 HA ASP X 35 63.339 5.475 -8.647 1.00 0.00 H new ATOM 0 HB2 ASP X 35 61.749 6.291 -10.309 1.00 0.00 H new ATOM 0 HB3 ASP X 35 60.967 7.272 -9.085 1.00 0.00 H new ATOM 533 N VAL X 36 61.606 6.406 -6.092 1.00 0.00 N ATOM 534 CA VAL X 36 61.775 7.008 -4.789 1.00 0.00 C ATOM 535 C VAL X 36 62.838 6.300 -4.054 1.00 0.00 C ATOM 536 O VAL X 36 63.784 6.910 -3.609 1.00 0.00 O ATOM 537 CB VAL X 36 60.550 6.833 -3.872 1.00 0.00 C ATOM 538 CG1 VAL X 36 60.784 7.470 -2.540 1.00 0.00 C ATOM 539 CG2 VAL X 36 59.326 7.345 -4.453 1.00 0.00 C ATOM 0 H VAL X 36 60.724 5.916 -6.243 1.00 0.00 H new ATOM 0 HA VAL X 36 61.974 8.061 -4.990 1.00 0.00 H new ATOM 0 HB VAL X 36 60.421 5.758 -3.745 1.00 0.00 H new ATOM 0 HG11 VAL X 36 59.904 7.332 -1.911 1.00 0.00 H new ATOM 0 HG12 VAL X 36 61.648 7.007 -2.062 1.00 0.00 H new ATOM 0 HG13 VAL X 36 60.971 8.535 -2.674 1.00 0.00 H new ATOM 0 HG21 VAL X 36 58.501 7.191 -3.757 1.00 0.00 H new ATOM 0 HG22 VAL X 36 59.437 8.410 -4.655 1.00 0.00 H new ATOM 0 HG23 VAL X 36 59.118 6.819 -5.385 1.00 0.00 H new ATOM 549 N LEU X 37 62.713 5.017 -4.017 1.00 0.00 N ATOM 550 CA LEU X 37 63.535 4.219 -3.191 1.00 0.00 C ATOM 551 C LEU X 37 64.925 4.191 -3.671 1.00 0.00 C ATOM 552 O LEU X 37 65.850 4.350 -2.889 1.00 0.00 O ATOM 553 CB LEU X 37 63.005 2.839 -3.077 1.00 0.00 C ATOM 554 CG LEU X 37 61.537 2.700 -2.625 1.00 0.00 C ATOM 555 CD1 LEU X 37 61.145 1.243 -2.462 1.00 0.00 C ATOM 556 CD2 LEU X 37 61.268 3.474 -1.338 1.00 0.00 C ATOM 0 H LEU X 37 62.030 4.494 -4.566 1.00 0.00 H new ATOM 0 HA LEU X 37 63.528 4.675 -2.201 1.00 0.00 H new ATOM 0 HB2 LEU X 37 63.111 2.352 -4.046 1.00 0.00 H new ATOM 0 HB3 LEU X 37 63.632 2.290 -2.374 1.00 0.00 H new ATOM 0 HG LEU X 37 60.919 3.133 -3.411 1.00 0.00 H new ATOM 0 HD11 LEU X 37 60.105 1.180 -2.143 1.00 0.00 H new ATOM 0 HD12 LEU X 37 61.265 0.725 -3.414 1.00 0.00 H new ATOM 0 HD13 LEU X 37 61.784 0.776 -1.712 1.00 0.00 H new ATOM 0 HD21 LEU X 37 60.223 3.352 -1.052 1.00 0.00 H new ATOM 0 HD22 LEU X 37 61.909 3.093 -0.543 1.00 0.00 H new ATOM 0 HD23 LEU X 37 61.479 4.531 -1.498 1.00 0.00 H new ATOM 568 N LEU X 38 65.070 4.036 -4.953 1.00 0.00 N ATOM 569 CA LEU X 38 66.352 3.992 -5.560 1.00 0.00 C ATOM 570 C LEU X 38 67.101 5.271 -5.332 1.00 0.00 C ATOM 571 O LEU X 38 68.257 5.250 -4.903 1.00 0.00 O ATOM 572 CB LEU X 38 66.236 3.645 -7.032 1.00 0.00 C ATOM 573 CG LEU X 38 65.811 2.211 -7.362 1.00 0.00 C ATOM 574 CD1 LEU X 38 65.932 1.958 -8.841 1.00 0.00 C ATOM 575 CD2 LEU X 38 66.609 1.185 -6.570 1.00 0.00 C ATOM 0 H LEU X 38 64.292 3.937 -5.605 1.00 0.00 H new ATOM 0 HA LEU X 38 66.933 3.200 -5.088 1.00 0.00 H new ATOM 0 HB2 LEU X 38 65.519 4.327 -7.488 1.00 0.00 H new ATOM 0 HB3 LEU X 38 67.200 3.833 -7.504 1.00 0.00 H new ATOM 0 HG LEU X 38 64.767 2.100 -7.070 1.00 0.00 H new ATOM 0 HD11 LEU X 38 65.627 0.935 -9.061 1.00 0.00 H new ATOM 0 HD12 LEU X 38 65.290 2.653 -9.383 1.00 0.00 H new ATOM 0 HD13 LEU X 38 66.967 2.103 -9.151 1.00 0.00 H new ATOM 0 HD21 LEU X 38 66.275 0.182 -6.835 1.00 0.00 H new ATOM 0 HD22 LEU X 38 67.669 1.289 -6.804 1.00 0.00 H new ATOM 0 HD23 LEU X 38 66.455 1.349 -5.503 1.00 0.00 H new ATOM 587 N GLU X 39 66.433 6.374 -5.542 1.00 0.00 N ATOM 588 CA GLU X 39 67.042 7.652 -5.333 1.00 0.00 C ATOM 589 C GLU X 39 67.265 7.941 -3.866 1.00 0.00 C ATOM 590 O GLU X 39 68.283 8.481 -3.498 1.00 0.00 O ATOM 591 CB GLU X 39 66.209 8.726 -5.936 1.00 0.00 C ATOM 592 CG GLU X 39 66.302 8.839 -7.429 1.00 0.00 C ATOM 593 CD GLU X 39 67.690 9.189 -7.897 1.00 0.00 C ATOM 594 OE1 GLU X 39 68.076 10.371 -7.784 1.00 0.00 O ATOM 595 OE2 GLU X 39 68.421 8.299 -8.391 1.00 0.00 O ATOM 0 H GLU X 39 65.464 6.409 -5.859 1.00 0.00 H new ATOM 0 HA GLU X 39 68.017 7.628 -5.820 1.00 0.00 H new ATOM 0 HB2 GLU X 39 65.168 8.553 -5.664 1.00 0.00 H new ATOM 0 HB3 GLU X 39 66.499 9.680 -5.496 1.00 0.00 H new ATOM 0 HG2 GLU X 39 65.997 7.895 -7.881 1.00 0.00 H new ATOM 0 HG3 GLU X 39 65.603 9.599 -7.777 1.00 0.00 H new ATOM 602 N HIS X 40 66.312 7.564 -3.043 1.00 0.00 N ATOM 603 CA HIS X 40 66.370 7.822 -1.615 1.00 0.00 C ATOM 604 C HIS X 40 67.543 7.090 -1.013 1.00 0.00 C ATOM 605 O HIS X 40 68.306 7.645 -0.240 1.00 0.00 O ATOM 606 CB HIS X 40 65.051 7.395 -0.939 1.00 0.00 C ATOM 607 CG HIS X 40 64.954 7.682 0.539 1.00 0.00 C ATOM 608 ND1 HIS X 40 64.116 8.624 1.089 1.00 0.00 N ATOM 609 CD2 HIS X 40 65.597 7.105 1.587 1.00 0.00 C ATOM 610 CE1 HIS X 40 64.276 8.594 2.410 1.00 0.00 C ATOM 611 NE2 HIS X 40 65.168 7.685 2.765 1.00 0.00 N ATOM 0 H HIS X 40 65.472 7.069 -3.342 1.00 0.00 H new ATOM 0 HA HIS X 40 66.503 8.891 -1.449 1.00 0.00 H new ATOM 0 HB2 HIS X 40 64.226 7.897 -1.444 1.00 0.00 H new ATOM 0 HB3 HIS X 40 64.914 6.325 -1.093 1.00 0.00 H new ATOM 0 HD1 HIS X 40 63.483 9.237 0.575 1.00 0.00 H new ATOM 0 HD2 HIS X 40 66.330 6.315 1.511 1.00 0.00 H new ATOM 0 HE1 HIS X 40 63.745 9.230 3.103 1.00 0.00 H new ATOM 619 N PHE X 41 67.674 5.865 -1.397 1.00 0.00 N ATOM 620 CA PHE X 41 68.738 5.019 -0.965 1.00 0.00 C ATOM 621 C PHE X 41 70.088 5.617 -1.343 1.00 0.00 C ATOM 622 O PHE X 41 70.974 5.782 -0.496 1.00 0.00 O ATOM 623 CB PHE X 41 68.522 3.652 -1.597 1.00 0.00 C ATOM 624 CG PHE X 41 69.695 2.736 -1.582 1.00 0.00 C ATOM 625 CD1 PHE X 41 70.035 2.054 -0.450 1.00 0.00 C ATOM 626 CD2 PHE X 41 70.453 2.555 -2.714 1.00 0.00 C ATOM 627 CE1 PHE X 41 71.118 1.200 -0.439 1.00 0.00 C ATOM 628 CE2 PHE X 41 71.527 1.709 -2.700 1.00 0.00 C ATOM 629 CZ PHE X 41 71.860 1.029 -1.570 1.00 0.00 C ATOM 0 H PHE X 41 67.025 5.410 -2.039 1.00 0.00 H new ATOM 0 HA PHE X 41 68.740 4.921 0.121 1.00 0.00 H new ATOM 0 HB2 PHE X 41 67.696 3.162 -1.082 1.00 0.00 H new ATOM 0 HB3 PHE X 41 68.212 3.797 -2.632 1.00 0.00 H new ATOM 0 HD1 PHE X 41 69.449 2.184 0.448 1.00 0.00 H new ATOM 0 HD2 PHE X 41 70.199 3.084 -3.620 1.00 0.00 H new ATOM 0 HE1 PHE X 41 71.378 0.668 0.464 1.00 0.00 H new ATOM 0 HE2 PHE X 41 72.117 1.579 -3.595 1.00 0.00 H new ATOM 0 HZ PHE X 41 72.706 0.358 -1.569 1.00 0.00 H new ATOM 639 N VAL X 42 70.250 5.933 -2.596 1.00 0.00 N ATOM 640 CA VAL X 42 71.481 6.496 -3.053 1.00 0.00 C ATOM 641 C VAL X 42 71.742 7.906 -2.519 1.00 0.00 C ATOM 642 O VAL X 42 72.855 8.254 -2.274 1.00 0.00 O ATOM 643 CB VAL X 42 71.694 6.353 -4.574 1.00 0.00 C ATOM 644 CG1 VAL X 42 70.732 7.130 -5.396 1.00 0.00 C ATOM 645 CG2 VAL X 42 73.124 6.589 -4.991 1.00 0.00 C ATOM 0 H VAL X 42 69.541 5.809 -3.319 1.00 0.00 H new ATOM 0 HA VAL X 42 72.262 5.882 -2.605 1.00 0.00 H new ATOM 0 HB VAL X 42 71.474 5.307 -4.785 1.00 0.00 H new ATOM 0 HG11 VAL X 42 70.949 6.976 -6.453 1.00 0.00 H new ATOM 0 HG12 VAL X 42 69.717 6.796 -5.181 1.00 0.00 H new ATOM 0 HG13 VAL X 42 70.823 8.190 -5.158 1.00 0.00 H new ATOM 0 HG21 VAL X 42 73.212 6.475 -6.071 1.00 0.00 H new ATOM 0 HG22 VAL X 42 73.424 7.598 -4.707 1.00 0.00 H new ATOM 0 HG23 VAL X 42 73.772 5.865 -4.496 1.00 0.00 H new ATOM 655 N LYS X 43 70.704 8.681 -2.306 1.00 0.00 N ATOM 656 CA LYS X 43 70.867 10.071 -1.819 1.00 0.00 C ATOM 657 C LYS X 43 71.425 10.107 -0.388 1.00 0.00 C ATOM 658 O LYS X 43 72.144 11.038 -0.016 1.00 0.00 O ATOM 659 CB LYS X 43 69.537 10.883 -1.863 1.00 0.00 C ATOM 660 CG LYS X 43 68.604 10.654 -0.658 1.00 0.00 C ATOM 661 CD LYS X 43 67.371 11.529 -0.698 1.00 0.00 C ATOM 662 CE LYS X 43 66.559 11.399 0.591 1.00 0.00 C ATOM 663 NZ LYS X 43 65.402 12.306 0.595 1.00 0.00 N ATOM 0 H LYS X 43 69.736 8.395 -2.455 1.00 0.00 H new ATOM 0 HA LYS X 43 71.578 10.538 -2.500 1.00 0.00 H new ATOM 0 HB2 LYS X 43 69.777 11.945 -1.923 1.00 0.00 H new ATOM 0 HB3 LYS X 43 69.000 10.625 -2.776 1.00 0.00 H new ATOM 0 HG2 LYS X 43 68.301 9.607 -0.633 1.00 0.00 H new ATOM 0 HG3 LYS X 43 69.153 10.849 0.263 1.00 0.00 H new ATOM 0 HD2 LYS X 43 67.664 12.569 -0.843 1.00 0.00 H new ATOM 0 HD3 LYS X 43 66.752 11.251 -1.551 1.00 0.00 H new ATOM 0 HE2 LYS X 43 66.216 10.370 0.704 1.00 0.00 H new ATOM 0 HE3 LYS X 43 67.197 11.618 1.447 1.00 0.00 H new ATOM 0 HZ1 LYS X 43 64.874 12.191 1.484 1.00 0.00 H new ATOM 0 HZ2 LYS X 43 65.731 13.289 0.512 1.00 0.00 H new ATOM 0 HZ3 LYS X 43 64.781 12.080 -0.208 1.00 0.00 H new ATOM 677 N ILE X 44 71.070 9.119 0.411 1.00 0.00 N ATOM 678 CA ILE X 44 71.497 9.085 1.790 1.00 0.00 C ATOM 679 C ILE X 44 72.842 8.386 1.929 1.00 0.00 C ATOM 680 O ILE X 44 73.644 8.724 2.789 1.00 0.00 O ATOM 681 CB ILE X 44 70.418 8.448 2.715 1.00 0.00 C ATOM 682 CG1 ILE X 44 70.050 7.038 2.244 1.00 0.00 C ATOM 683 CG2 ILE X 44 69.178 9.335 2.743 1.00 0.00 C ATOM 684 CD1 ILE X 44 69.054 6.327 3.121 1.00 0.00 C ATOM 0 H ILE X 44 70.488 8.332 0.126 1.00 0.00 H new ATOM 0 HA ILE X 44 71.625 10.116 2.119 1.00 0.00 H new ATOM 0 HB ILE X 44 70.829 8.368 3.721 1.00 0.00 H new ATOM 0 HG12 ILE X 44 69.646 7.100 1.233 1.00 0.00 H new ATOM 0 HG13 ILE X 44 70.959 6.439 2.188 1.00 0.00 H new ATOM 0 HG21 ILE X 44 68.425 8.887 3.391 1.00 0.00 H new ATOM 0 HG22 ILE X 44 69.444 10.321 3.124 1.00 0.00 H new ATOM 0 HG23 ILE X 44 68.777 9.432 1.734 1.00 0.00 H new ATOM 0 HD11 ILE X 44 68.852 5.337 2.713 1.00 0.00 H new ATOM 0 HD12 ILE X 44 69.461 6.229 4.128 1.00 0.00 H new ATOM 0 HD13 ILE X 44 68.128 6.900 3.158 1.00 0.00 H new ATOM 696 N THR X 45 73.096 7.431 1.062 1.00 0.00 N ATOM 697 CA THR X 45 74.350 6.717 1.084 1.00 0.00 C ATOM 698 C THR X 45 75.424 7.462 0.303 1.00 0.00 C ATOM 699 O THR X 45 76.614 7.449 0.677 1.00 0.00 O ATOM 700 CB THR X 45 74.192 5.297 0.510 1.00 0.00 C ATOM 701 OG1 THR X 45 73.633 5.361 -0.813 1.00 0.00 O ATOM 702 CG2 THR X 45 73.286 4.473 1.388 1.00 0.00 C ATOM 0 H THR X 45 72.449 7.132 0.333 1.00 0.00 H new ATOM 0 HA THR X 45 74.658 6.645 2.127 1.00 0.00 H new ATOM 0 HB THR X 45 75.177 4.831 0.471 1.00 0.00 H new ATOM 0 HG1 THR X 45 72.655 5.367 -0.755 1.00 0.00 H new ATOM 0 HG21 THR X 45 73.185 3.472 0.968 1.00 0.00 H new ATOM 0 HG22 THR X 45 73.712 4.405 2.389 1.00 0.00 H new ATOM 0 HG23 THR X 45 72.305 4.945 1.443 1.00 0.00 H new ATOM 710 N GLU X 46 74.983 8.108 -0.780 1.00 0.00 N ATOM 711 CA GLU X 46 75.821 8.793 -1.750 1.00 0.00 C ATOM 712 C GLU X 46 76.826 7.846 -2.351 1.00 0.00 C ATOM 713 O GLU X 46 77.891 8.239 -2.808 1.00 0.00 O ATOM 714 CB GLU X 46 76.440 10.055 -1.176 1.00 0.00 C ATOM 715 CG GLU X 46 75.461 11.206 -1.092 1.00 0.00 C ATOM 716 CD GLU X 46 74.927 11.599 -2.454 1.00 0.00 C ATOM 717 OE1 GLU X 46 75.682 12.189 -3.249 1.00 0.00 O ATOM 718 OE2 GLU X 46 73.757 11.326 -2.757 1.00 0.00 O ATOM 0 H GLU X 46 73.991 8.166 -1.008 1.00 0.00 H new ATOM 0 HA GLU X 46 75.189 9.134 -2.570 1.00 0.00 H new ATOM 0 HB2 GLU X 46 76.829 9.842 -0.180 1.00 0.00 H new ATOM 0 HB3 GLU X 46 77.288 10.351 -1.793 1.00 0.00 H new ATOM 0 HG2 GLU X 46 74.630 10.928 -0.443 1.00 0.00 H new ATOM 0 HG3 GLU X 46 75.950 12.065 -0.633 1.00 0.00 H new ATOM 725 N HIS X 47 76.426 6.595 -2.409 1.00 0.00 N ATOM 726 CA HIS X 47 77.246 5.546 -2.927 1.00 0.00 C ATOM 727 C HIS X 47 77.246 5.661 -4.462 1.00 0.00 C ATOM 728 O HIS X 47 76.197 5.898 -5.053 1.00 0.00 O ATOM 729 CB HIS X 47 76.674 4.185 -2.470 1.00 0.00 C ATOM 730 CG HIS X 47 77.612 3.032 -2.647 1.00 0.00 C ATOM 731 ND1 HIS X 47 77.507 2.081 -3.627 1.00 0.00 N ATOM 732 CD2 HIS X 47 78.708 2.707 -1.940 1.00 0.00 C ATOM 733 CE1 HIS X 47 78.538 1.239 -3.486 1.00 0.00 C ATOM 734 NE2 HIS X 47 79.291 1.571 -2.478 1.00 0.00 N ATOM 0 H HIS X 47 75.508 6.284 -2.091 1.00 0.00 H new ATOM 0 HA HIS X 47 78.269 5.624 -2.560 1.00 0.00 H new ATOM 0 HB2 HIS X 47 76.397 4.255 -1.418 1.00 0.00 H new ATOM 0 HB3 HIS X 47 75.759 3.983 -3.027 1.00 0.00 H new ATOM 0 HD2 HIS X 47 79.078 3.249 -1.082 1.00 0.00 H new ATOM 0 HE1 HIS X 47 78.722 0.390 -4.128 1.00 0.00 H new ATOM 0 HE2 HIS X 47 80.133 1.095 -2.153 1.00 0.00 H new ATOM 742 N PRO X 48 78.397 5.477 -5.137 1.00 0.00 N ATOM 743 CA PRO X 48 78.510 5.640 -6.605 1.00 0.00 C ATOM 744 C PRO X 48 77.886 4.505 -7.347 1.00 0.00 C ATOM 745 O PRO X 48 77.746 4.535 -8.571 1.00 0.00 O ATOM 746 CB PRO X 48 80.004 5.559 -6.855 1.00 0.00 C ATOM 747 CG PRO X 48 80.641 5.703 -5.543 1.00 0.00 C ATOM 748 CD PRO X 48 79.687 5.098 -4.572 1.00 0.00 C ATOM 0 HA PRO X 48 78.022 6.558 -6.932 1.00 0.00 H new ATOM 0 HB2 PRO X 48 80.271 4.608 -7.316 1.00 0.00 H new ATOM 0 HB3 PRO X 48 80.329 6.346 -7.535 1.00 0.00 H new ATOM 0 HG2 PRO X 48 81.605 5.194 -5.516 1.00 0.00 H new ATOM 0 HG3 PRO X 48 80.827 6.751 -5.310 1.00 0.00 H new ATOM 0 HD2 PRO X 48 79.802 4.016 -4.507 1.00 0.00 H new ATOM 0 HD3 PRO X 48 79.824 5.494 -3.566 1.00 0.00 H new ATOM 756 N ASP X 49 77.489 3.529 -6.612 1.00 0.00 N ATOM 757 CA ASP X 49 76.987 2.355 -7.160 1.00 0.00 C ATOM 758 C ASP X 49 75.703 2.090 -6.438 1.00 0.00 C ATOM 759 O ASP X 49 75.349 0.956 -6.215 1.00 0.00 O ATOM 760 CB ASP X 49 77.911 1.140 -6.923 1.00 0.00 C ATOM 761 CG ASP X 49 79.284 1.224 -7.528 1.00 0.00 C ATOM 762 OD1 ASP X 49 79.421 1.073 -8.748 1.00 0.00 O ATOM 763 OD2 ASP X 49 80.268 1.358 -6.766 1.00 0.00 O ATOM 0 H ASP X 49 77.511 3.540 -5.592 1.00 0.00 H new ATOM 0 HA ASP X 49 76.881 2.479 -8.238 1.00 0.00 H new ATOM 0 HB2 ASP X 49 78.018 0.995 -5.848 1.00 0.00 H new ATOM 0 HB3 ASP X 49 77.417 0.252 -7.316 1.00 0.00 H new ATOM 768 N GLY X 50 75.041 3.167 -6.015 1.00 0.00 N ATOM 769 CA GLY X 50 73.802 3.074 -5.248 1.00 0.00 C ATOM 770 C GLY X 50 72.825 2.172 -5.863 1.00 0.00 C ATOM 771 O GLY X 50 72.488 1.129 -5.315 1.00 0.00 O ATOM 0 H GLY X 50 75.348 4.123 -6.194 1.00 0.00 H new ATOM 0 HA2 GLY X 50 74.028 2.726 -4.240 1.00 0.00 H new ATOM 0 HA3 GLY X 50 73.363 4.067 -5.151 1.00 0.00 H new ATOM 775 N THR X 51 72.461 2.481 -7.016 1.00 0.00 N ATOM 776 CA THR X 51 71.460 1.710 -7.649 1.00 0.00 C ATOM 777 C THR X 51 72.029 0.403 -8.160 1.00 0.00 C ATOM 778 O THR X 51 71.345 -0.619 -8.153 1.00 0.00 O ATOM 779 CB THR X 51 70.727 2.507 -8.718 1.00 0.00 C ATOM 780 OG1 THR X 51 71.408 3.769 -8.920 1.00 0.00 O ATOM 781 CG2 THR X 51 69.297 2.757 -8.269 1.00 0.00 C ATOM 0 H THR X 51 72.829 3.261 -7.561 1.00 0.00 H new ATOM 0 HA THR X 51 70.705 1.451 -6.907 1.00 0.00 H new ATOM 0 HB THR X 51 70.715 1.949 -9.654 1.00 0.00 H new ATOM 0 HG1 THR X 51 70.941 4.286 -9.609 1.00 0.00 H new ATOM 0 HG21 THR X 51 68.770 3.328 -9.034 1.00 0.00 H new ATOM 0 HG22 THR X 51 68.792 1.803 -8.116 1.00 0.00 H new ATOM 0 HG23 THR X 51 69.302 3.319 -7.335 1.00 0.00 H new ATOM 789 N ALA X 52 73.317 0.421 -8.480 1.00 0.00 N ATOM 790 CA ALA X 52 74.010 -0.755 -8.946 1.00 0.00 C ATOM 791 C ALA X 52 73.970 -1.829 -7.900 1.00 0.00 C ATOM 792 O ALA X 52 73.670 -2.948 -8.223 1.00 0.00 O ATOM 793 CB ALA X 52 75.430 -0.426 -9.341 1.00 0.00 C ATOM 0 H ALA X 52 73.902 1.254 -8.421 1.00 0.00 H new ATOM 0 HA ALA X 52 73.502 -1.127 -9.836 1.00 0.00 H new ATOM 0 HB1 ALA X 52 75.930 -1.330 -9.689 1.00 0.00 H new ATOM 0 HB2 ALA X 52 75.423 0.315 -10.141 1.00 0.00 H new ATOM 0 HB3 ALA X 52 75.964 -0.025 -8.479 1.00 0.00 H new ATOM 799 N LEU X 53 74.191 -1.459 -6.631 1.00 0.00 N ATOM 800 CA LEU X 53 74.152 -2.411 -5.531 1.00 0.00 C ATOM 801 C LEU X 53 72.836 -3.124 -5.448 1.00 0.00 C ATOM 802 O LEU X 53 72.807 -4.330 -5.378 1.00 0.00 O ATOM 803 CB LEU X 53 74.453 -1.765 -4.187 1.00 0.00 C ATOM 804 CG LEU X 53 75.871 -1.263 -3.975 1.00 0.00 C ATOM 805 CD1 LEU X 53 76.061 -0.892 -2.535 1.00 0.00 C ATOM 806 CD2 LEU X 53 76.900 -2.300 -4.401 1.00 0.00 C ATOM 0 H LEU X 53 74.399 -0.501 -6.348 1.00 0.00 H new ATOM 0 HA LEU X 53 74.936 -3.135 -5.751 1.00 0.00 H new ATOM 0 HB2 LEU X 53 73.771 -0.926 -4.052 1.00 0.00 H new ATOM 0 HB3 LEU X 53 74.227 -2.488 -3.403 1.00 0.00 H new ATOM 0 HG LEU X 53 76.021 -0.382 -4.599 1.00 0.00 H new ATOM 0 HD11 LEU X 53 77.079 -0.532 -2.383 1.00 0.00 H new ATOM 0 HD12 LEU X 53 75.354 -0.107 -2.265 1.00 0.00 H new ATOM 0 HD13 LEU X 53 75.888 -1.767 -1.908 1.00 0.00 H new ATOM 0 HD21 LEU X 53 77.903 -1.907 -4.235 1.00 0.00 H new ATOM 0 HD22 LEU X 53 76.765 -3.209 -3.814 1.00 0.00 H new ATOM 0 HD23 LEU X 53 76.770 -2.528 -5.459 1.00 0.00 H new ATOM 818 N ILE X 54 71.743 -2.381 -5.484 1.00 0.00 N ATOM 819 CA ILE X 54 70.428 -3.013 -5.368 1.00 0.00 C ATOM 820 C ILE X 54 70.128 -3.866 -6.592 1.00 0.00 C ATOM 821 O ILE X 54 69.629 -4.996 -6.486 1.00 0.00 O ATOM 822 CB ILE X 54 69.289 -2.005 -5.080 1.00 0.00 C ATOM 823 CG1 ILE X 54 69.518 -1.360 -3.709 1.00 0.00 C ATOM 824 CG2 ILE X 54 67.917 -2.700 -5.122 1.00 0.00 C ATOM 825 CD1 ILE X 54 68.517 -0.307 -3.357 1.00 0.00 C ATOM 0 H ILE X 54 71.731 -1.367 -5.589 1.00 0.00 H new ATOM 0 HA ILE X 54 70.471 -3.666 -4.496 1.00 0.00 H new ATOM 0 HB ILE X 54 69.296 -1.234 -5.850 1.00 0.00 H new ATOM 0 HG12 ILE X 54 69.496 -2.137 -2.945 1.00 0.00 H new ATOM 0 HG13 ILE X 54 70.515 -0.920 -3.688 1.00 0.00 H new ATOM 0 HG21 ILE X 54 67.133 -1.971 -4.917 1.00 0.00 H new ATOM 0 HG22 ILE X 54 67.759 -3.134 -6.109 1.00 0.00 H new ATOM 0 HG23 ILE X 54 67.885 -3.488 -4.370 1.00 0.00 H new ATOM 0 HD11 ILE X 54 68.748 0.100 -2.373 1.00 0.00 H new ATOM 0 HD12 ILE X 54 68.553 0.492 -4.098 1.00 0.00 H new ATOM 0 HD13 ILE X 54 67.519 -0.744 -3.343 1.00 0.00 H new ATOM 837 N TYR X 55 70.465 -3.329 -7.746 1.00 0.00 N ATOM 838 CA TYR X 55 70.294 -4.022 -8.994 1.00 0.00 C ATOM 839 C TYR X 55 71.095 -5.328 -9.028 1.00 0.00 C ATOM 840 O TYR X 55 70.565 -6.389 -9.407 1.00 0.00 O ATOM 841 CB TYR X 55 70.667 -3.117 -10.163 1.00 0.00 C ATOM 842 CG TYR X 55 69.527 -2.254 -10.696 1.00 0.00 C ATOM 843 CD1 TYR X 55 68.672 -2.726 -11.689 1.00 0.00 C ATOM 844 CD2 TYR X 55 69.311 -0.975 -10.218 1.00 0.00 C ATOM 845 CE1 TYR X 55 67.641 -1.938 -12.181 1.00 0.00 C ATOM 846 CE2 TYR X 55 68.292 -0.187 -10.696 1.00 0.00 C ATOM 847 CZ TYR X 55 67.460 -0.667 -11.676 1.00 0.00 C ATOM 848 OH TYR X 55 66.444 0.133 -12.154 1.00 0.00 O ATOM 0 H TYR X 55 70.866 -2.396 -7.839 1.00 0.00 H new ATOM 0 HA TYR X 55 69.241 -4.287 -9.088 1.00 0.00 H new ATOM 0 HB2 TYR X 55 71.483 -2.464 -9.852 1.00 0.00 H new ATOM 0 HB3 TYR X 55 71.046 -3.736 -10.976 1.00 0.00 H new ATOM 0 HD1 TYR X 55 68.814 -3.722 -12.083 1.00 0.00 H new ATOM 0 HD2 TYR X 55 69.960 -0.585 -9.448 1.00 0.00 H new ATOM 0 HE1 TYR X 55 66.986 -2.316 -12.952 1.00 0.00 H new ATOM 0 HE2 TYR X 55 68.146 0.808 -10.301 1.00 0.00 H new ATOM 0 HH TYR X 55 66.460 0.995 -11.688 1.00 0.00 H new ATOM 858 N GLU X 56 72.353 -5.268 -8.625 1.00 0.00 N ATOM 859 CA GLU X 56 73.176 -6.450 -8.599 1.00 0.00 C ATOM 860 C GLU X 56 72.759 -7.396 -7.499 1.00 0.00 C ATOM 861 O GLU X 56 72.790 -8.598 -7.693 1.00 0.00 O ATOM 862 CB GLU X 56 74.688 -6.168 -8.586 1.00 0.00 C ATOM 863 CG GLU X 56 75.209 -5.356 -7.426 1.00 0.00 C ATOM 864 CD GLU X 56 76.708 -5.281 -7.424 1.00 0.00 C ATOM 865 OE1 GLU X 56 77.364 -6.204 -6.883 1.00 0.00 O ATOM 866 OE2 GLU X 56 77.276 -4.318 -7.988 1.00 0.00 O ATOM 0 H GLU X 56 72.818 -4.415 -8.314 1.00 0.00 H new ATOM 0 HA GLU X 56 72.997 -6.949 -9.551 1.00 0.00 H new ATOM 0 HB2 GLU X 56 75.214 -7.123 -8.598 1.00 0.00 H new ATOM 0 HB3 GLU X 56 74.947 -5.650 -9.509 1.00 0.00 H new ATOM 0 HG2 GLU X 56 74.795 -4.349 -7.473 1.00 0.00 H new ATOM 0 HG3 GLU X 56 74.866 -5.798 -6.490 1.00 0.00 H new ATOM 873 N ALA X 57 72.345 -6.850 -6.357 1.00 0.00 N ATOM 874 CA ALA X 57 71.893 -7.657 -5.227 1.00 0.00 C ATOM 875 C ALA X 57 70.747 -8.544 -5.639 1.00 0.00 C ATOM 876 O ALA X 57 70.746 -9.716 -5.343 1.00 0.00 O ATOM 877 CB ALA X 57 71.461 -6.782 -4.060 1.00 0.00 C ATOM 0 H ALA X 57 72.314 -5.844 -6.190 1.00 0.00 H new ATOM 0 HA ALA X 57 72.733 -8.273 -4.907 1.00 0.00 H new ATOM 0 HB1 ALA X 57 71.130 -7.413 -3.235 1.00 0.00 H new ATOM 0 HB2 ALA X 57 72.302 -6.169 -3.734 1.00 0.00 H new ATOM 0 HB3 ALA X 57 70.641 -6.136 -4.374 1.00 0.00 H new ATOM 1025 N GLY X 71 71.621 -9.789 -1.560 1.00 0.00 N ATOM 1026 CA GLY X 71 70.607 -9.646 -0.591 1.00 0.00 C ATOM 1027 C GLY X 71 70.726 -8.349 0.155 1.00 0.00 C ATOM 1028 O GLY X 71 71.807 -7.727 0.180 1.00 0.00 O ATOM 0 HA2 GLY X 71 69.632 -9.698 -1.075 1.00 0.00 H new ATOM 0 HA3 GLY X 71 70.658 -10.476 0.113 1.00 0.00 H new ATOM 1032 N PRO X 72 69.653 -7.960 0.827 1.00 0.00 N ATOM 1033 CA PRO X 72 69.538 -6.682 1.508 1.00 0.00 C ATOM 1034 C PRO X 72 70.560 -6.512 2.618 1.00 0.00 C ATOM 1035 O PRO X 72 71.263 -5.520 2.676 1.00 0.00 O ATOM 1036 CB PRO X 72 68.122 -6.698 2.086 1.00 0.00 C ATOM 1037 CG PRO X 72 67.705 -8.128 2.070 1.00 0.00 C ATOM 1038 CD PRO X 72 68.451 -8.773 0.966 1.00 0.00 C ATOM 0 HA PRO X 72 69.723 -5.852 0.826 1.00 0.00 H new ATOM 0 HB2 PRO X 72 68.106 -6.295 3.099 1.00 0.00 H new ATOM 0 HB3 PRO X 72 67.447 -6.085 1.489 1.00 0.00 H new ATOM 0 HG2 PRO X 72 67.930 -8.608 3.022 1.00 0.00 H new ATOM 0 HG3 PRO X 72 66.630 -8.216 1.915 1.00 0.00 H new ATOM 0 HD2 PRO X 72 68.695 -9.809 1.202 1.00 0.00 H new ATOM 0 HD3 PRO X 72 67.869 -8.785 0.045 1.00 0.00 H new ATOM 1046 N GLU X 73 70.691 -7.515 3.449 1.00 0.00 N ATOM 1047 CA GLU X 73 71.584 -7.452 4.588 1.00 0.00 C ATOM 1048 C GLU X 73 73.052 -7.646 4.203 1.00 0.00 C ATOM 1049 O GLU X 73 73.932 -7.632 5.059 1.00 0.00 O ATOM 1050 CB GLU X 73 71.131 -8.393 5.691 1.00 0.00 C ATOM 1051 CG GLU X 73 69.749 -8.037 6.205 1.00 0.00 C ATOM 1052 CD GLU X 73 69.294 -8.887 7.355 1.00 0.00 C ATOM 1053 OE1 GLU X 73 69.782 -8.700 8.488 1.00 0.00 O ATOM 1054 OE2 GLU X 73 68.397 -9.736 7.150 1.00 0.00 O ATOM 0 H GLU X 73 70.186 -8.397 3.360 1.00 0.00 H new ATOM 0 HA GLU X 73 71.527 -6.440 4.988 1.00 0.00 H new ATOM 0 HB2 GLU X 73 71.127 -9.416 5.316 1.00 0.00 H new ATOM 0 HB3 GLU X 73 71.845 -8.358 6.514 1.00 0.00 H new ATOM 0 HG2 GLU X 73 69.744 -6.992 6.514 1.00 0.00 H new ATOM 0 HG3 GLU X 73 69.032 -8.132 5.389 1.00 0.00 H new ATOM 1061 N GLY X 74 73.322 -7.814 2.935 1.00 0.00 N ATOM 1062 CA GLY X 74 74.699 -7.854 2.526 1.00 0.00 C ATOM 1063 C GLY X 74 75.123 -6.609 1.797 1.00 0.00 C ATOM 1064 O GLY X 74 76.269 -6.160 1.949 1.00 0.00 O ATOM 0 H GLY X 74 72.633 -7.922 2.191 1.00 0.00 H new ATOM 0 HA2 GLY X 74 75.331 -7.989 3.404 1.00 0.00 H new ATOM 0 HA3 GLY X 74 74.858 -8.719 1.882 1.00 0.00 H new ATOM 1068 N ILE X 75 74.224 -6.024 1.017 1.00 0.00 N ATOM 1069 CA ILE X 75 74.516 -4.726 0.395 1.00 0.00 C ATOM 1070 C ILE X 75 74.657 -3.657 1.437 1.00 0.00 C ATOM 1071 O ILE X 75 75.390 -2.707 1.248 1.00 0.00 O ATOM 1072 CB ILE X 75 73.473 -4.259 -0.626 1.00 0.00 C ATOM 1073 CG1 ILE X 75 72.071 -4.623 -0.171 1.00 0.00 C ATOM 1074 CG2 ILE X 75 73.795 -4.768 -2.002 1.00 0.00 C ATOM 1075 CD1 ILE X 75 70.974 -3.980 -0.949 1.00 0.00 C ATOM 0 H ILE X 75 73.306 -6.411 0.799 1.00 0.00 H new ATOM 0 HA ILE X 75 75.450 -4.885 -0.143 1.00 0.00 H new ATOM 0 HB ILE X 75 73.508 -3.171 -0.687 1.00 0.00 H new ATOM 0 HG12 ILE X 75 71.954 -5.705 -0.231 1.00 0.00 H new ATOM 0 HG13 ILE X 75 71.962 -4.349 0.878 1.00 0.00 H new ATOM 0 HG21 ILE X 75 73.038 -4.421 -2.705 1.00 0.00 H new ATOM 0 HG22 ILE X 75 74.772 -4.395 -2.308 1.00 0.00 H new ATOM 0 HG23 ILE X 75 73.809 -5.858 -1.993 1.00 0.00 H new ATOM 0 HD11 ILE X 75 70.011 -4.299 -0.552 1.00 0.00 H new ATOM 0 HD12 ILE X 75 71.058 -2.896 -0.869 1.00 0.00 H new ATOM 0 HD13 ILE X 75 71.050 -4.274 -1.996 1.00 0.00 H new ATOM 1087 N VAL X 76 73.961 -3.820 2.552 1.00 0.00 N ATOM 1088 CA VAL X 76 74.058 -2.917 3.624 1.00 0.00 C ATOM 1089 C VAL X 76 75.462 -2.899 4.210 1.00 0.00 C ATOM 1090 O VAL X 76 75.965 -1.864 4.631 1.00 0.00 O ATOM 1091 CB VAL X 76 73.040 -3.223 4.694 1.00 0.00 C ATOM 1092 CG1 VAL X 76 71.648 -2.974 4.244 1.00 0.00 C ATOM 1093 CG2 VAL X 76 73.188 -4.585 5.293 1.00 0.00 C ATOM 0 H VAL X 76 73.318 -4.595 2.712 1.00 0.00 H new ATOM 0 HA VAL X 76 73.845 -1.924 3.229 1.00 0.00 H new ATOM 0 HB VAL X 76 73.255 -2.516 5.495 1.00 0.00 H new ATOM 0 HG11 VAL X 76 70.956 -3.210 5.053 1.00 0.00 H new ATOM 0 HG12 VAL X 76 71.537 -1.926 3.967 1.00 0.00 H new ATOM 0 HG13 VAL X 76 71.426 -3.603 3.382 1.00 0.00 H new ATOM 0 HG21 VAL X 76 72.422 -4.733 6.054 1.00 0.00 H new ATOM 0 HG22 VAL X 76 73.076 -5.339 4.514 1.00 0.00 H new ATOM 0 HG23 VAL X 76 74.174 -4.677 5.748 1.00 0.00 H new ATOM 1103 N LYS X 77 76.079 -4.048 4.209 1.00 0.00 N ATOM 1104 CA LYS X 77 77.446 -4.186 4.631 1.00 0.00 C ATOM 1105 C LYS X 77 78.352 -3.459 3.640 1.00 0.00 C ATOM 1106 O LYS X 77 79.285 -2.771 4.036 1.00 0.00 O ATOM 1107 CB LYS X 77 77.830 -5.666 4.740 1.00 0.00 C ATOM 1108 CG LYS X 77 79.279 -5.919 5.133 1.00 0.00 C ATOM 1109 CD LYS X 77 79.560 -7.405 5.251 1.00 0.00 C ATOM 1110 CE LYS X 77 81.024 -7.682 5.565 1.00 0.00 C ATOM 1111 NZ LYS X 77 81.933 -7.291 4.456 1.00 0.00 N ATOM 0 H LYS X 77 75.644 -4.922 3.913 1.00 0.00 H new ATOM 0 HA LYS X 77 77.567 -3.740 5.618 1.00 0.00 H new ATOM 0 HB2 LYS X 77 77.180 -6.143 5.474 1.00 0.00 H new ATOM 0 HB3 LYS X 77 77.638 -6.149 3.782 1.00 0.00 H new ATOM 0 HG2 LYS X 77 79.943 -5.478 4.390 1.00 0.00 H new ATOM 0 HG3 LYS X 77 79.493 -5.429 6.083 1.00 0.00 H new ATOM 0 HD2 LYS X 77 78.934 -7.832 6.034 1.00 0.00 H new ATOM 0 HD3 LYS X 77 79.288 -7.901 4.319 1.00 0.00 H new ATOM 0 HE2 LYS X 77 81.306 -7.141 6.468 1.00 0.00 H new ATOM 0 HE3 LYS X 77 81.151 -8.744 5.776 1.00 0.00 H new ATOM 0 HZ1 LYS X 77 82.921 -7.390 4.766 1.00 0.00 H new ATOM 0 HZ2 LYS X 77 81.764 -7.907 3.635 1.00 0.00 H new ATOM 0 HZ3 LYS X 77 81.751 -6.302 4.190 1.00 0.00 H new ATOM 1125 N GLU X 78 78.020 -3.567 2.355 1.00 0.00 N ATOM 1126 CA GLU X 78 78.789 -2.911 1.311 1.00 0.00 C ATOM 1127 C GLU X 78 78.669 -1.392 1.479 1.00 0.00 C ATOM 1128 O GLU X 78 79.646 -0.649 1.321 1.00 0.00 O ATOM 1129 CB GLU X 78 78.318 -3.357 -0.100 1.00 0.00 C ATOM 1130 CG GLU X 78 79.347 -3.093 -1.172 1.00 0.00 C ATOM 1131 CD GLU X 78 80.592 -3.911 -0.945 1.00 0.00 C ATOM 1132 OE1 GLU X 78 81.522 -3.450 -0.240 1.00 0.00 O ATOM 1133 OE2 GLU X 78 80.667 -5.037 -1.453 1.00 0.00 O ATOM 0 H GLU X 78 77.222 -4.104 2.016 1.00 0.00 H new ATOM 0 HA GLU X 78 79.836 -3.201 1.404 1.00 0.00 H new ATOM 0 HB2 GLU X 78 78.086 -4.422 -0.080 1.00 0.00 H new ATOM 0 HB3 GLU X 78 77.395 -2.834 -0.352 1.00 0.00 H new ATOM 0 HG2 GLU X 78 78.927 -3.329 -2.150 1.00 0.00 H new ATOM 0 HG3 GLU X 78 79.602 -2.033 -1.182 1.00 0.00 H new ATOM 1140 N ILE X 79 77.474 -0.957 1.851 1.00 0.00 N ATOM 1141 CA ILE X 79 77.207 0.435 2.100 1.00 0.00 C ATOM 1142 C ILE X 79 77.987 0.942 3.325 1.00 0.00 C ATOM 1143 O ILE X 79 78.653 1.985 3.261 1.00 0.00 O ATOM 1144 CB ILE X 79 75.681 0.702 2.326 1.00 0.00 C ATOM 1145 CG1 ILE X 79 74.871 0.459 1.043 1.00 0.00 C ATOM 1146 CG2 ILE X 79 75.428 2.113 2.857 1.00 0.00 C ATOM 1147 CD1 ILE X 79 75.215 1.389 -0.106 1.00 0.00 C ATOM 0 H ILE X 79 76.668 -1.567 1.986 1.00 0.00 H new ATOM 0 HA ILE X 79 77.533 0.976 1.212 1.00 0.00 H new ATOM 0 HB ILE X 79 75.344 -0.008 3.081 1.00 0.00 H new ATOM 0 HG12 ILE X 79 75.027 -0.570 0.720 1.00 0.00 H new ATOM 0 HG13 ILE X 79 73.811 0.563 1.273 1.00 0.00 H new ATOM 0 HG21 ILE X 79 74.358 2.261 3.001 1.00 0.00 H new ATOM 0 HG22 ILE X 79 75.944 2.242 3.809 1.00 0.00 H new ATOM 0 HG23 ILE X 79 75.802 2.844 2.140 1.00 0.00 H new ATOM 0 HD11 ILE X 79 74.596 1.145 -0.969 1.00 0.00 H new ATOM 0 HD12 ILE X 79 75.031 2.421 0.193 1.00 0.00 H new ATOM 0 HD13 ILE X 79 76.266 1.270 -0.369 1.00 0.00 H new ATOM 1159 N LYS X 80 77.953 0.173 4.419 1.00 0.00 N ATOM 1160 CA LYS X 80 78.566 0.620 5.667 1.00 0.00 C ATOM 1161 C LYS X 80 80.079 0.712 5.552 1.00 0.00 C ATOM 1162 O LYS X 80 80.673 1.682 6.017 1.00 0.00 O ATOM 1163 CB LYS X 80 78.139 -0.237 6.895 1.00 0.00 C ATOM 1164 CG LYS X 80 78.704 -1.644 6.947 1.00 0.00 C ATOM 1165 CD LYS X 80 78.244 -2.417 8.194 1.00 0.00 C ATOM 1166 CE LYS X 80 76.723 -2.605 8.269 1.00 0.00 C ATOM 1167 NZ LYS X 80 76.329 -3.380 9.471 1.00 0.00 N ATOM 0 H LYS X 80 77.514 -0.747 4.463 1.00 0.00 H new ATOM 0 HA LYS X 80 78.185 1.626 5.846 1.00 0.00 H new ATOM 0 HB2 LYS X 80 78.438 0.288 7.802 1.00 0.00 H new ATOM 0 HB3 LYS X 80 77.051 -0.302 6.908 1.00 0.00 H new ATOM 0 HG2 LYS X 80 78.399 -2.188 6.053 1.00 0.00 H new ATOM 0 HG3 LYS X 80 79.793 -1.596 6.934 1.00 0.00 H new ATOM 0 HD2 LYS X 80 78.724 -3.395 8.203 1.00 0.00 H new ATOM 0 HD3 LYS X 80 78.581 -1.888 9.085 1.00 0.00 H new ATOM 0 HE2 LYS X 80 76.235 -1.630 8.287 1.00 0.00 H new ATOM 0 HE3 LYS X 80 76.374 -3.119 7.373 1.00 0.00 H new ATOM 0 HZ1 LYS X 80 75.308 -3.576 9.438 1.00 0.00 H new ATOM 0 HZ2 LYS X 80 76.853 -4.278 9.492 1.00 0.00 H new ATOM 0 HZ3 LYS X 80 76.549 -2.830 10.326 1.00 0.00 H new ATOM 1181 N GLU X 81 80.691 -0.251 4.873 1.00 0.00 N ATOM 1182 CA GLU X 81 82.134 -0.270 4.748 1.00 0.00 C ATOM 1183 C GLU X 81 82.632 0.880 3.878 1.00 0.00 C ATOM 1184 O GLU X 81 83.656 1.486 4.175 1.00 0.00 O ATOM 1185 CB GLU X 81 82.639 -1.632 4.256 1.00 0.00 C ATOM 1186 CG GLU X 81 82.269 -2.779 5.195 1.00 0.00 C ATOM 1187 CD GLU X 81 82.807 -4.118 4.756 1.00 0.00 C ATOM 1188 OE1 GLU X 81 82.276 -4.702 3.787 1.00 0.00 O ATOM 1189 OE2 GLU X 81 83.741 -4.642 5.397 1.00 0.00 O ATOM 0 H GLU X 81 80.211 -1.020 4.406 1.00 0.00 H new ATOM 0 HA GLU X 81 82.555 -0.120 5.742 1.00 0.00 H new ATOM 0 HB2 GLU X 81 82.226 -1.831 3.267 1.00 0.00 H new ATOM 0 HB3 GLU X 81 83.723 -1.594 4.147 1.00 0.00 H new ATOM 0 HG2 GLU X 81 82.645 -2.556 6.193 1.00 0.00 H new ATOM 0 HG3 GLU X 81 81.183 -2.840 5.270 1.00 0.00 H new ATOM 1196 N TRP X 82 81.865 1.219 2.853 1.00 0.00 N ATOM 1197 CA TRP X 82 82.213 2.312 1.951 1.00 0.00 C ATOM 1198 C TRP X 82 82.127 3.615 2.697 1.00 0.00 C ATOM 1199 O TRP X 82 83.046 4.436 2.672 1.00 0.00 O ATOM 1200 CB TRP X 82 81.194 2.384 0.834 1.00 0.00 C ATOM 1201 CG TRP X 82 81.525 3.370 -0.254 1.00 0.00 C ATOM 1202 CD1 TRP X 82 82.328 3.154 -1.331 1.00 0.00 C ATOM 1203 CD2 TRP X 82 81.036 4.715 -0.381 1.00 0.00 C ATOM 1204 NE1 TRP X 82 82.365 4.276 -2.118 1.00 0.00 N ATOM 1205 CE2 TRP X 82 81.581 5.242 -1.560 1.00 0.00 C ATOM 1206 CE3 TRP X 82 80.188 5.519 0.388 1.00 0.00 C ATOM 1207 CZ2 TRP X 82 81.313 6.528 -1.996 1.00 0.00 C ATOM 1208 CZ3 TRP X 82 79.923 6.799 -0.044 1.00 0.00 C ATOM 1209 CH2 TRP X 82 80.479 7.291 -1.227 1.00 0.00 C ATOM 0 H TRP X 82 80.989 0.750 2.622 1.00 0.00 H new ATOM 0 HA TRP X 82 83.217 2.141 1.561 1.00 0.00 H new ATOM 0 HB2 TRP X 82 81.091 1.394 0.390 1.00 0.00 H new ATOM 0 HB3 TRP X 82 80.225 2.645 1.260 1.00 0.00 H new ATOM 0 HD1 TRP X 82 82.858 2.235 -1.536 1.00 0.00 H new ATOM 0 HE1 TRP X 82 82.895 4.373 -2.984 1.00 0.00 H new ATOM 0 HE3 TRP X 82 79.750 5.144 1.301 1.00 0.00 H new ATOM 0 HZ2 TRP X 82 81.746 6.913 -2.907 1.00 0.00 H new ATOM 0 HZ3 TRP X 82 79.274 7.433 0.542 1.00 0.00 H new ATOM 0 HH2 TRP X 82 80.245 8.297 -1.542 1.00 0.00 H new ATOM 1220 N ARG X 83 81.018 3.765 3.393 1.00 0.00 N ATOM 1221 CA ARG X 83 80.685 4.970 4.100 1.00 0.00 C ATOM 1222 C ARG X 83 81.743 5.237 5.161 1.00 0.00 C ATOM 1223 O ARG X 83 82.252 6.352 5.280 1.00 0.00 O ATOM 1224 CB ARG X 83 79.377 4.747 4.808 1.00 0.00 C ATOM 1225 CG ARG X 83 78.662 5.976 5.240 1.00 0.00 C ATOM 1226 CD ARG X 83 77.941 6.721 4.126 1.00 0.00 C ATOM 1227 NE ARG X 83 77.193 7.828 4.724 1.00 0.00 N ATOM 1228 CZ ARG X 83 76.738 8.933 4.127 1.00 0.00 C ATOM 1229 NH1 ARG X 83 76.783 9.078 2.816 1.00 0.00 N ATOM 1230 NH2 ARG X 83 76.182 9.872 4.868 1.00 0.00 N ATOM 0 H ARG X 83 80.313 3.033 3.480 1.00 0.00 H new ATOM 0 HA ARG X 83 80.626 5.807 3.404 1.00 0.00 H new ATOM 0 HB2 ARG X 83 78.720 4.179 4.149 1.00 0.00 H new ATOM 0 HB3 ARG X 83 79.561 4.128 5.686 1.00 0.00 H new ATOM 0 HG2 ARG X 83 77.936 5.706 6.007 1.00 0.00 H new ATOM 0 HG3 ARG X 83 79.380 6.652 5.705 1.00 0.00 H new ATOM 0 HD2 ARG X 83 78.657 7.097 3.395 1.00 0.00 H new ATOM 0 HD3 ARG X 83 77.266 6.050 3.595 1.00 0.00 H new ATOM 0 HE ARG X 83 76.994 7.745 5.721 1.00 0.00 H new ATOM 0 HH11 ARG X 83 77.172 8.336 2.234 1.00 0.00 H new ATOM 0 HH12 ARG X 83 76.429 9.932 2.385 1.00 0.00 H new ATOM 0 HH21 ARG X 83 76.106 9.747 5.877 1.00 0.00 H new ATOM 0 HH22 ARG X 83 75.828 10.723 4.432 1.00 0.00 H new ATOM 1244 N ALA X 84 82.091 4.192 5.888 1.00 0.00 N ATOM 1245 CA ALA X 84 83.057 4.272 6.953 1.00 0.00 C ATOM 1246 C ALA X 84 84.458 4.557 6.422 1.00 0.00 C ATOM 1247 O ALA X 84 85.180 5.383 6.989 1.00 0.00 O ATOM 1248 CB ALA X 84 83.035 3.001 7.781 1.00 0.00 C ATOM 0 H ALA X 84 81.704 3.258 5.750 1.00 0.00 H new ATOM 0 HA ALA X 84 82.781 5.109 7.595 1.00 0.00 H new ATOM 0 HB1 ALA X 84 83.770 3.076 8.582 1.00 0.00 H new ATOM 0 HB2 ALA X 84 82.043 2.864 8.211 1.00 0.00 H new ATOM 0 HB3 ALA X 84 83.276 2.149 7.146 1.00 0.00 H new ATOM 1254 N ALA X 85 84.822 3.903 5.319 1.00 0.00 N ATOM 1255 CA ALA X 85 86.129 4.090 4.696 1.00 0.00 C ATOM 1256 C ALA X 85 86.272 5.502 4.152 1.00 0.00 C ATOM 1257 O ALA X 85 87.358 6.095 4.207 1.00 0.00 O ATOM 1258 CB ALA X 85 86.333 3.085 3.581 1.00 0.00 C ATOM 0 H ALA X 85 84.223 3.234 4.836 1.00 0.00 H new ATOM 0 HA ALA X 85 86.891 3.933 5.459 1.00 0.00 H new ATOM 0 HB1 ALA X 85 87.312 3.239 3.127 1.00 0.00 H new ATOM 0 HB2 ALA X 85 86.275 2.075 3.987 1.00 0.00 H new ATOM 0 HB3 ALA X 85 85.558 3.217 2.826 1.00 0.00 H new ATOM 1264 N ASN X 86 85.183 6.028 3.616 1.00 0.00 N ATOM 1265 CA ASN X 86 85.154 7.386 3.081 1.00 0.00 C ATOM 1266 C ASN X 86 85.271 8.378 4.238 1.00 0.00 C ATOM 1267 O ASN X 86 85.928 9.422 4.134 1.00 0.00 O ATOM 1268 CB ASN X 86 83.825 7.646 2.362 1.00 0.00 C ATOM 1269 CG ASN X 86 83.836 8.919 1.530 1.00 0.00 C ATOM 1270 OD1 ASN X 86 83.662 10.019 2.047 1.00 0.00 O ATOM 1271 ND2 ASN X 86 83.928 8.772 0.235 1.00 0.00 N ATOM 0 H ASN X 86 84.296 5.531 3.538 1.00 0.00 H new ATOM 0 HA ASN X 86 85.980 7.506 2.380 1.00 0.00 H new ATOM 0 HB2 ASN X 86 83.597 6.799 1.716 1.00 0.00 H new ATOM 0 HB3 ASN X 86 83.025 7.708 3.100 1.00 0.00 H new ATOM 0 HD21 ASN X 86 83.855 9.585 -0.377 1.00 0.00 H new ATOM 0 HD22 ASN X 86 84.073 7.844 -0.164 1.00 0.00 H new ATOM 1278 N GLY X 87 84.637 8.030 5.341 1.00 0.00 N ATOM 1279 CA GLY X 87 84.628 8.874 6.508 1.00 0.00 C ATOM 1280 C GLY X 87 83.298 9.571 6.666 1.00 0.00 C ATOM 1281 O GLY X 87 83.220 10.666 7.222 1.00 0.00 O ATOM 0 H GLY X 87 84.118 7.158 5.448 1.00 0.00 H new ATOM 0 HA2 GLY X 87 84.836 8.275 7.395 1.00 0.00 H new ATOM 0 HA3 GLY X 87 85.423 9.615 6.430 1.00 0.00 H new ATOM 1285 N LYS X 88 82.244 8.936 6.194 1.00 0.00 N ATOM 1286 CA LYS X 88 80.949 9.469 6.232 1.00 0.00 C ATOM 1287 C LYS X 88 80.168 8.721 7.310 1.00 0.00 C ATOM 1288 O LYS X 88 80.449 7.540 7.549 1.00 0.00 O ATOM 1289 CB LYS X 88 80.326 9.216 4.876 1.00 0.00 C ATOM 1290 CG LYS X 88 80.833 10.078 3.724 1.00 0.00 C ATOM 1291 CD LYS X 88 80.246 9.593 2.396 1.00 0.00 C ATOM 1292 CE LYS X 88 80.673 10.449 1.201 1.00 0.00 C ATOM 1293 NZ LYS X 88 80.056 11.796 1.197 1.00 0.00 N ATOM 0 H LYS X 88 82.294 8.011 5.767 1.00 0.00 H new ATOM 0 HA LYS X 88 80.948 10.536 6.455 1.00 0.00 H new ATOM 0 HB2 LYS X 88 80.487 8.170 4.616 1.00 0.00 H new ATOM 0 HB3 LYS X 88 79.249 9.361 4.963 1.00 0.00 H new ATOM 0 HG2 LYS X 88 80.558 11.119 3.892 1.00 0.00 H new ATOM 0 HG3 LYS X 88 81.922 10.039 3.684 1.00 0.00 H new ATOM 0 HD2 LYS X 88 80.554 8.562 2.225 1.00 0.00 H new ATOM 0 HD3 LYS X 88 79.158 9.593 2.465 1.00 0.00 H new ATOM 0 HE2 LYS X 88 81.758 10.554 1.207 1.00 0.00 H new ATOM 0 HE3 LYS X 88 80.407 9.932 0.279 1.00 0.00 H new ATOM 0 HZ1 LYS X 88 80.384 12.326 0.364 1.00 0.00 H new ATOM 0 HZ2 LYS X 88 79.021 11.704 1.163 1.00 0.00 H new ATOM 0 HZ3 LYS X 88 80.329 12.306 2.061 1.00 0.00 H new ATOM 1307 N PRO X 89 79.222 9.375 8.003 1.00 0.00 N ATOM 1308 CA PRO X 89 78.395 8.714 9.027 1.00 0.00 C ATOM 1309 C PRO X 89 77.516 7.636 8.399 1.00 0.00 C ATOM 1310 O PRO X 89 76.840 7.887 7.385 1.00 0.00 O ATOM 1311 CB PRO X 89 77.531 9.848 9.597 1.00 0.00 C ATOM 1312 CG PRO X 89 78.215 11.106 9.182 1.00 0.00 C ATOM 1313 CD PRO X 89 78.887 10.804 7.877 1.00 0.00 C ATOM 0 HA PRO X 89 78.993 8.215 9.789 1.00 0.00 H new ATOM 0 HB2 PRO X 89 76.515 9.804 9.205 1.00 0.00 H new ATOM 0 HB3 PRO X 89 77.457 9.779 10.682 1.00 0.00 H new ATOM 0 HG2 PRO X 89 77.499 11.921 9.072 1.00 0.00 H new ATOM 0 HG3 PRO X 89 78.942 11.419 9.931 1.00 0.00 H new ATOM 0 HD2 PRO X 89 78.227 10.991 7.030 1.00 0.00 H new ATOM 0 HD3 PRO X 89 79.777 11.416 7.729 1.00 0.00 H new ATOM 1321 N GLY X 90 77.540 6.451 8.972 1.00 0.00 N ATOM 1322 CA GLY X 90 76.808 5.343 8.416 1.00 0.00 C ATOM 1323 C GLY X 90 75.460 5.174 9.036 1.00 0.00 C ATOM 1324 O GLY X 90 74.695 6.134 9.140 1.00 0.00 O ATOM 0 H GLY X 90 78.060 6.235 9.823 1.00 0.00 H new ATOM 0 HA2 GLY X 90 76.694 5.491 7.342 1.00 0.00 H new ATOM 0 HA3 GLY X 90 77.384 4.427 8.552 1.00 0.00 H new ATOM 1328 N PHE X 91 75.174 3.984 9.475 1.00 0.00 N ATOM 1329 CA PHE X 91 73.880 3.690 10.031 1.00 0.00 C ATOM 1330 C PHE X 91 73.886 3.977 11.504 1.00 0.00 C ATOM 1331 O PHE X 91 74.954 3.972 12.155 1.00 0.00 O ATOM 1332 CB PHE X 91 73.510 2.227 9.808 1.00 0.00 C ATOM 1333 CG PHE X 91 73.623 1.780 8.387 1.00 0.00 C ATOM 1334 CD1 PHE X 91 72.991 2.474 7.378 1.00 0.00 C ATOM 1335 CD2 PHE X 91 74.381 0.671 8.058 1.00 0.00 C ATOM 1336 CE1 PHE X 91 73.111 2.070 6.076 1.00 0.00 C ATOM 1337 CE2 PHE X 91 74.499 0.262 6.755 1.00 0.00 C ATOM 1338 CZ PHE X 91 73.865 0.960 5.764 1.00 0.00 C ATOM 0 H PHE X 91 75.821 3.195 9.460 1.00 0.00 H new ATOM 0 HA PHE X 91 73.143 4.318 9.530 1.00 0.00 H new ATOM 0 HB2 PHE X 91 74.154 1.602 10.427 1.00 0.00 H new ATOM 0 HB3 PHE X 91 72.487 2.066 10.148 1.00 0.00 H new ATOM 0 HD1 PHE X 91 72.396 3.343 7.617 1.00 0.00 H new ATOM 0 HD2 PHE X 91 74.886 0.120 8.838 1.00 0.00 H new ATOM 0 HE1 PHE X 91 72.614 2.622 5.292 1.00 0.00 H new ATOM 0 HE2 PHE X 91 75.090 -0.608 6.512 1.00 0.00 H new ATOM 0 HZ PHE X 91 73.956 0.641 4.736 1.00 0.00 H new ATOM 1348 N LYS X 92 72.737 4.249 12.032 1.00 0.00 N ATOM 1349 CA LYS X 92 72.608 4.457 13.400 1.00 0.00 C ATOM 1350 C LYS X 92 72.318 3.144 14.080 1.00 0.00 C ATOM 1351 O LYS X 92 71.984 2.140 13.426 1.00 0.00 O ATOM 1352 CB LYS X 92 71.550 5.493 13.683 1.00 0.00 C ATOM 1353 CG LYS X 92 70.222 4.989 14.152 1.00 0.00 C ATOM 1354 CD LYS X 92 69.384 6.144 14.607 1.00 0.00 C ATOM 1355 CE LYS X 92 68.082 5.684 15.156 1.00 0.00 C ATOM 1356 NZ LYS X 92 67.241 6.812 15.596 1.00 0.00 N ATOM 0 H LYS X 92 71.867 4.329 11.505 1.00 0.00 H new ATOM 0 HA LYS X 92 73.543 4.846 13.803 1.00 0.00 H new ATOM 0 HB2 LYS X 92 71.939 6.179 14.436 1.00 0.00 H new ATOM 0 HB3 LYS X 92 71.391 6.074 12.774 1.00 0.00 H new ATOM 0 HG2 LYS X 92 69.718 4.455 13.346 1.00 0.00 H new ATOM 0 HG3 LYS X 92 70.358 4.280 14.969 1.00 0.00 H new ATOM 0 HD2 LYS X 92 69.922 6.709 15.368 1.00 0.00 H new ATOM 0 HD3 LYS X 92 69.210 6.821 13.771 1.00 0.00 H new ATOM 0 HE2 LYS X 92 67.551 5.110 14.397 1.00 0.00 H new ATOM 0 HE3 LYS X 92 68.259 5.014 15.997 1.00 0.00 H new ATOM 0 HZ1 LYS X 92 66.267 6.480 15.748 1.00 0.00 H new ATOM 0 HZ2 LYS X 92 67.617 7.199 16.485 1.00 0.00 H new ATOM 0 HZ3 LYS X 92 67.245 7.553 14.866 1.00 0.00 H new ATOM 1370 N GLN X 93 72.489 3.128 15.341 1.00 0.00 N ATOM 1371 CA GLN X 93 72.252 1.977 16.128 1.00 0.00 C ATOM 1372 C GLN X 93 70.804 1.929 16.523 1.00 0.00 C ATOM 1373 O GLN X 93 70.186 2.970 16.810 1.00 0.00 O ATOM 1374 CB GLN X 93 73.077 2.064 17.374 1.00 0.00 C ATOM 1375 CG GLN X 93 74.576 1.804 17.235 1.00 0.00 C ATOM 1376 CD GLN X 93 75.310 2.874 16.458 1.00 0.00 C ATOM 1377 OE1 GLN X 93 75.484 2.783 15.238 1.00 0.00 O ATOM 1378 NE2 GLN X 93 75.698 3.912 17.135 1.00 0.00 N ATOM 0 H GLN X 93 72.807 3.936 15.875 1.00 0.00 H new ATOM 0 HA GLN X 93 72.512 1.086 15.556 1.00 0.00 H new ATOM 0 HB2 GLN X 93 72.944 3.059 17.799 1.00 0.00 H new ATOM 0 HB3 GLN X 93 72.676 1.353 18.096 1.00 0.00 H new ATOM 0 HG2 GLN X 93 75.015 1.724 18.229 1.00 0.00 H new ATOM 0 HG3 GLN X 93 74.725 0.843 16.742 1.00 0.00 H new ATOM 0 HE21 GLN X 93 75.538 3.953 18.142 1.00 0.00 H new ATOM 0 HE22 GLN X 93 76.163 4.686 16.660 1.00 0.00 H new ATOM 1387 N GLY X 94 70.267 0.771 16.518 1.00 0.00 N ATOM 1388 CA GLY X 94 68.931 0.597 16.958 1.00 0.00 C ATOM 1389 C GLY X 94 68.914 0.216 18.407 1.00 0.00 C ATOM 1390 O GLY X 94 67.990 0.620 19.131 1.00 0.00 O ATOM 1391 OXT GLY X 94 69.842 -0.475 18.850 1.00 0.00 O ATOM 0 H GLY X 94 70.734 -0.082 16.211 1.00 0.00 H new ATOM 0 HA2 GLY X 94 68.368 1.518 16.809 1.00 0.00 H new ATOM 0 HA3 GLY X 94 68.442 -0.175 16.365 1.00 0.00 H new