USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=18 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 10 TYR OH : rot -143:sc= -0.0697! USER MOD Set 1.2: X 40 HIS : no HE2:sc= 0.583 K(o=0.51,f=-6!) USER MOD Set 2.1: X 6 SER OG : rot 100:sc= 1.13 USER MOD Set 2.2: X 8 SER OG : rot 180:sc= 1.1 USER MOD Single : X 4 LYS NZ :NH3+ -142:sc= 0.515 (180deg=-2.48!) USER MOD Single : X 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 11 THR OG1 : rot 180:sc= 0.364 USER MOD Single : X 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 20 LYS NZ :NH3+ 171:sc= 1.09 (180deg=0.947) USER MOD Single : X 24 LYS NZ :NH3+ -163:sc= -0.0982 (180deg=-0.436) USER MOD Single : X 26 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : X 30 THR OG1 : rot -100:sc= 0.544 USER MOD Single : X 43 LYS NZ :NH3+ 138:sc= -0.356 (180deg=-2.25!) USER MOD Single : X 45 THR OG1 : rot -100:sc= 0.928 USER MOD Single : X 47 HIS : no HD1:sc= -0.935 K(o=-0.94,f=-2.8!) USER MOD Single : X 51 THR OG1 : rot 180:sc= 0.0132 USER MOD Single : X 55 TYR OH : rot 180:sc= 0 USER MOD Single : X 64 ASN : amide:sc= 0.181 K(o=0.18,f=-1.6) USER MOD Single : X 77 LYS NZ :NH3+ -170:sc= 2.31 (180deg=1.95) USER MOD Single : X 80 LYS NZ :NH3+ 169:sc= -0.0016 (180deg=-0.118) USER MOD Single : X 86 ASN : amide:sc= -3.55! C(o=-3.6!,f=-5.8!) USER MOD Single : X 88 LYS NZ :NH3+ -165:sc= -0.0441 (180deg=-0.31) USER MOD Single : X 92 LYS NZ :NH3+ 157:sc= 1.22 (180deg=1.11) USER MOD Single : X 93 GLN :FLIP amide:sc= -0.171 F(o=-1.9!,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU X 2 60.316 2.849 8.459 1.00 0.00 N ATOM 2 CA GLU X 2 60.073 4.252 8.155 1.00 0.00 C ATOM 3 C GLU X 2 61.201 4.783 7.311 1.00 0.00 C ATOM 4 O GLU X 2 62.350 4.356 7.452 1.00 0.00 O ATOM 5 CB GLU X 2 59.947 5.059 9.472 1.00 0.00 C ATOM 6 CG GLU X 2 59.832 6.580 9.317 1.00 0.00 C ATOM 7 CD GLU X 2 58.606 7.011 8.549 1.00 0.00 C ATOM 8 OE1 GLU X 2 58.569 6.851 7.317 1.00 0.00 O ATOM 9 OE2 GLU X 2 57.651 7.510 9.171 1.00 0.00 O ATOM 0 HA GLU X 2 59.141 4.353 7.599 1.00 0.00 H new ATOM 0 HB2 GLU X 2 59.071 4.701 10.012 1.00 0.00 H new ATOM 0 HB3 GLU X 2 60.816 4.841 10.093 1.00 0.00 H new ATOM 0 HG2 GLU X 2 59.813 7.039 10.306 1.00 0.00 H new ATOM 0 HG3 GLU X 2 60.721 6.955 8.809 1.00 0.00 H new ATOM 16 N LEU X 3 60.876 5.728 6.471 1.00 0.00 N ATOM 17 CA LEU X 3 61.832 6.348 5.622 1.00 0.00 C ATOM 18 C LEU X 3 62.357 7.532 6.346 1.00 0.00 C ATOM 19 O LEU X 3 61.590 8.339 6.871 1.00 0.00 O ATOM 20 CB LEU X 3 61.191 6.840 4.320 1.00 0.00 C ATOM 21 CG LEU X 3 60.505 5.801 3.459 1.00 0.00 C ATOM 22 CD1 LEU X 3 59.999 6.437 2.164 1.00 0.00 C ATOM 23 CD2 LEU X 3 61.457 4.680 3.164 1.00 0.00 C ATOM 0 H LEU X 3 59.927 6.086 6.363 1.00 0.00 H new ATOM 0 HA LEU X 3 62.611 5.627 5.373 1.00 0.00 H new ATOM 0 HB2 LEU X 3 60.460 7.609 4.571 1.00 0.00 H new ATOM 0 HB3 LEU X 3 61.965 7.320 3.721 1.00 0.00 H new ATOM 0 HG LEU X 3 59.647 5.399 3.997 1.00 0.00 H new ATOM 0 HD11 LEU X 3 59.508 5.679 1.554 1.00 0.00 H new ATOM 0 HD12 LEU X 3 59.288 7.229 2.401 1.00 0.00 H new ATOM 0 HD13 LEU X 3 60.840 6.858 1.612 1.00 0.00 H new ATOM 0 HD21 LEU X 3 60.960 3.934 2.544 1.00 0.00 H new ATOM 0 HD22 LEU X 3 62.326 5.071 2.635 1.00 0.00 H new ATOM 0 HD23 LEU X 3 61.778 4.220 4.098 1.00 0.00 H new ATOM 35 N LYS X 4 63.629 7.618 6.427 1.00 0.00 N ATOM 36 CA LYS X 4 64.255 8.738 7.040 1.00 0.00 C ATOM 37 C LYS X 4 64.652 9.667 5.894 1.00 0.00 C ATOM 38 O LYS X 4 64.299 9.396 4.757 1.00 0.00 O ATOM 39 CB LYS X 4 65.494 8.298 7.838 1.00 0.00 C ATOM 40 CG LYS X 4 65.376 7.009 8.659 1.00 0.00 C ATOM 41 CD LYS X 4 64.088 6.855 9.417 1.00 0.00 C ATOM 42 CE LYS X 4 64.265 5.799 10.493 1.00 0.00 C ATOM 43 NZ LYS X 4 62.994 5.329 11.093 1.00 0.00 N ATOM 0 H LYS X 4 64.274 6.913 6.070 1.00 0.00 H new ATOM 0 HA LYS X 4 63.589 9.234 7.746 1.00 0.00 H new ATOM 0 HB2 LYS X 4 66.322 8.179 7.139 1.00 0.00 H new ATOM 0 HB3 LYS X 4 65.764 9.107 8.516 1.00 0.00 H new ATOM 0 HG2 LYS X 4 65.490 6.157 7.988 1.00 0.00 H new ATOM 0 HG3 LYS X 4 66.204 6.970 9.367 1.00 0.00 H new ATOM 0 HD2 LYS X 4 63.801 7.805 9.867 1.00 0.00 H new ATOM 0 HD3 LYS X 4 63.285 6.569 8.738 1.00 0.00 H new ATOM 0 HE2 LYS X 4 64.791 4.945 10.066 1.00 0.00 H new ATOM 0 HE3 LYS X 4 64.900 6.202 11.282 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 63.128 5.173 12.112 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 62.255 6.046 10.947 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 62.706 4.438 10.641 1.00 0.00 H new ATOM 57 N ASN X 5 65.344 10.739 6.144 1.00 0.00 N ATOM 58 CA ASN X 5 65.743 11.599 5.021 1.00 0.00 C ATOM 59 C ASN X 5 67.229 11.561 4.808 1.00 0.00 C ATOM 60 O ASN X 5 67.750 12.064 3.815 1.00 0.00 O ATOM 61 CB ASN X 5 65.234 13.036 5.160 1.00 0.00 C ATOM 62 CG ASN X 5 63.722 13.116 5.147 1.00 0.00 C ATOM 63 OD1 ASN X 5 63.082 13.084 6.191 1.00 0.00 O ATOM 64 ND2 ASN X 5 63.141 13.194 3.980 1.00 0.00 N ATOM 0 H ASN X 5 65.644 11.048 7.069 1.00 0.00 H new ATOM 0 HA ASN X 5 65.262 11.190 4.132 1.00 0.00 H new ATOM 0 HB2 ASN X 5 65.610 13.463 6.090 1.00 0.00 H new ATOM 0 HB3 ASN X 5 65.634 13.641 4.346 1.00 0.00 H new ATOM 0 HD21 ASN X 5 62.124 13.230 3.918 1.00 0.00 H new ATOM 0 HD22 ASN X 5 63.705 13.219 3.130 1.00 0.00 H new ATOM 71 N SER X 6 67.905 10.954 5.730 1.00 0.00 N ATOM 72 CA SER X 6 69.314 10.774 5.667 1.00 0.00 C ATOM 73 C SER X 6 69.651 9.428 6.277 1.00 0.00 C ATOM 74 O SER X 6 68.820 8.843 6.987 1.00 0.00 O ATOM 75 CB SER X 6 70.041 11.937 6.369 1.00 0.00 C ATOM 76 OG SER X 6 69.470 12.212 7.652 1.00 0.00 O ATOM 0 H SER X 6 67.478 10.561 6.569 1.00 0.00 H new ATOM 0 HA SER X 6 69.655 10.782 4.632 1.00 0.00 H new ATOM 0 HB2 SER X 6 71.097 11.691 6.484 1.00 0.00 H new ATOM 0 HB3 SER X 6 69.988 12.830 5.746 1.00 0.00 H new ATOM 0 HG SER X 6 70.019 11.798 8.350 1.00 0.00 H new ATOM 82 N ILE X 7 70.854 8.948 6.039 1.00 0.00 N ATOM 83 CA ILE X 7 71.281 7.629 6.523 1.00 0.00 C ATOM 84 C ILE X 7 71.470 7.645 8.063 1.00 0.00 C ATOM 85 O ILE X 7 71.565 6.613 8.702 1.00 0.00 O ATOM 86 CB ILE X 7 72.623 7.196 5.823 1.00 0.00 C ATOM 87 CG1 ILE X 7 72.964 5.721 6.120 1.00 0.00 C ATOM 88 CG2 ILE X 7 73.779 8.102 6.258 1.00 0.00 C ATOM 89 CD1 ILE X 7 74.228 5.225 5.438 1.00 0.00 C ATOM 0 H ILE X 7 71.567 9.449 5.509 1.00 0.00 H new ATOM 0 HA ILE X 7 70.503 6.908 6.274 1.00 0.00 H new ATOM 0 HB ILE X 7 72.479 7.301 4.748 1.00 0.00 H new ATOM 0 HG12 ILE X 7 73.072 5.594 7.197 1.00 0.00 H new ATOM 0 HG13 ILE X 7 72.127 5.096 5.808 1.00 0.00 H new ATOM 0 HG21 ILE X 7 74.696 7.785 5.762 1.00 0.00 H new ATOM 0 HG22 ILE X 7 73.556 9.133 5.984 1.00 0.00 H new ATOM 0 HG23 ILE X 7 73.908 8.034 7.338 1.00 0.00 H new ATOM 0 HD11 ILE X 7 74.396 4.180 5.699 1.00 0.00 H new ATOM 0 HD12 ILE X 7 74.118 5.316 4.357 1.00 0.00 H new ATOM 0 HD13 ILE X 7 75.078 5.822 5.768 1.00 0.00 H new ATOM 101 N SER X 8 71.400 8.828 8.629 1.00 0.00 N ATOM 102 CA SER X 8 71.736 9.061 9.996 1.00 0.00 C ATOM 103 C SER X 8 70.652 8.599 10.967 1.00 0.00 C ATOM 104 O SER X 8 70.944 8.298 12.123 1.00 0.00 O ATOM 105 CB SER X 8 72.044 10.540 10.160 1.00 0.00 C ATOM 106 OG SER X 8 70.965 11.338 9.669 1.00 0.00 O ATOM 0 H SER X 8 71.100 9.667 8.132 1.00 0.00 H new ATOM 0 HA SER X 8 72.612 8.463 10.248 1.00 0.00 H new ATOM 0 HB2 SER X 8 72.220 10.765 11.212 1.00 0.00 H new ATOM 0 HB3 SER X 8 72.960 10.788 9.623 1.00 0.00 H new ATOM 0 HG SER X 8 71.181 12.287 9.784 1.00 0.00 H new ATOM 112 N ASP X 9 69.399 8.550 10.517 1.00 0.00 N ATOM 113 CA ASP X 9 68.342 8.086 11.412 1.00 0.00 C ATOM 114 C ASP X 9 68.039 6.644 11.121 1.00 0.00 C ATOM 115 O ASP X 9 67.335 5.957 11.883 1.00 0.00 O ATOM 116 CB ASP X 9 67.068 8.906 11.284 1.00 0.00 C ATOM 117 CG ASP X 9 66.121 8.675 12.458 1.00 0.00 C ATOM 118 OD1 ASP X 9 66.551 8.847 13.628 1.00 0.00 O ATOM 119 OD2 ASP X 9 64.934 8.361 12.254 1.00 0.00 O ATOM 0 H ASP X 9 69.099 8.814 9.578 1.00 0.00 H new ATOM 0 HA ASP X 9 68.704 8.204 12.433 1.00 0.00 H new ATOM 0 HB2 ASP X 9 67.322 9.964 11.226 1.00 0.00 H new ATOM 0 HB3 ASP X 9 66.562 8.648 10.354 1.00 0.00 H new ATOM 124 N TYR X 10 68.569 6.180 10.012 1.00 0.00 N ATOM 125 CA TYR X 10 68.384 4.823 9.607 1.00 0.00 C ATOM 126 C TYR X 10 69.186 3.918 10.461 1.00 0.00 C ATOM 127 O TYR X 10 70.407 4.035 10.526 1.00 0.00 O ATOM 128 CB TYR X 10 68.769 4.582 8.135 1.00 0.00 C ATOM 129 CG TYR X 10 67.643 4.742 7.141 1.00 0.00 C ATOM 130 CD1 TYR X 10 66.667 3.759 7.026 1.00 0.00 C ATOM 131 CD2 TYR X 10 67.547 5.850 6.322 1.00 0.00 C ATOM 132 CE1 TYR X 10 65.630 3.872 6.129 1.00 0.00 C ATOM 133 CE2 TYR X 10 66.503 5.979 5.424 1.00 0.00 C ATOM 134 CZ TYR X 10 65.551 4.982 5.336 1.00 0.00 C ATOM 135 OH TYR X 10 64.509 5.117 4.475 1.00 0.00 O ATOM 0 H TYR X 10 69.137 6.738 9.374 1.00 0.00 H new ATOM 0 HA TYR X 10 67.320 4.612 9.717 1.00 0.00 H new ATOM 0 HB2 TYR X 10 69.569 5.272 7.868 1.00 0.00 H new ATOM 0 HB3 TYR X 10 69.174 3.574 8.042 1.00 0.00 H new ATOM 0 HD1 TYR X 10 66.724 2.884 7.657 1.00 0.00 H new ATOM 0 HD2 TYR X 10 68.296 6.625 6.384 1.00 0.00 H new ATOM 0 HE1 TYR X 10 64.887 3.092 6.052 1.00 0.00 H new ATOM 0 HE2 TYR X 10 66.433 6.854 4.795 1.00 0.00 H new ATOM 0 HH TYR X 10 64.823 5.532 3.645 1.00 0.00 H new ATOM 145 N THR X 11 68.519 3.053 11.156 1.00 0.00 N ATOM 146 CA THR X 11 69.204 2.026 11.824 1.00 0.00 C ATOM 147 C THR X 11 69.519 1.027 10.759 1.00 0.00 C ATOM 148 O THR X 11 68.904 1.069 9.660 1.00 0.00 O ATOM 149 CB THR X 11 68.349 1.378 12.938 1.00 0.00 C ATOM 150 OG1 THR X 11 67.139 0.838 12.393 1.00 0.00 O ATOM 151 CG2 THR X 11 68.002 2.396 14.001 1.00 0.00 C ATOM 0 H THR X 11 67.505 3.048 11.268 1.00 0.00 H new ATOM 0 HA THR X 11 70.093 2.407 12.326 1.00 0.00 H new ATOM 0 HB THR X 11 68.934 0.574 13.385 1.00 0.00 H new ATOM 0 HG1 THR X 11 66.610 0.430 13.110 1.00 0.00 H new ATOM 0 HG21 THR X 11 67.400 1.922 14.776 1.00 0.00 H new ATOM 0 HG22 THR X 11 68.918 2.788 14.442 1.00 0.00 H new ATOM 0 HG23 THR X 11 67.437 3.213 13.552 1.00 0.00 H new ATOM 159 N GLU X 12 70.436 0.174 11.025 1.00 0.00 N ATOM 160 CA GLU X 12 70.827 -0.808 10.072 1.00 0.00 C ATOM 161 C GLU X 12 69.614 -1.650 9.614 1.00 0.00 C ATOM 162 O GLU X 12 69.372 -1.780 8.426 1.00 0.00 O ATOM 163 CB GLU X 12 72.034 -1.628 10.586 1.00 0.00 C ATOM 164 CG GLU X 12 71.832 -2.506 11.829 1.00 0.00 C ATOM 165 CD GLU X 12 71.089 -1.861 12.966 1.00 0.00 C ATOM 166 OE1 GLU X 12 71.686 -1.142 13.759 1.00 0.00 O ATOM 167 OE2 GLU X 12 69.877 -2.095 13.083 1.00 0.00 O ATOM 0 H GLU X 12 70.941 0.132 11.910 1.00 0.00 H new ATOM 0 HA GLU X 12 71.185 -0.315 9.168 1.00 0.00 H new ATOM 0 HB2 GLU X 12 72.371 -2.272 9.773 1.00 0.00 H new ATOM 0 HB3 GLU X 12 72.845 -0.931 10.797 1.00 0.00 H new ATOM 0 HG2 GLU X 12 71.295 -3.407 11.532 1.00 0.00 H new ATOM 0 HG3 GLU X 12 72.810 -2.823 12.191 1.00 0.00 H new ATOM 174 N ALA X 13 68.789 -2.084 10.559 1.00 0.00 N ATOM 175 CA ALA X 13 67.582 -2.842 10.237 1.00 0.00 C ATOM 176 C ALA X 13 66.507 -1.976 9.536 1.00 0.00 C ATOM 177 O ALA X 13 65.850 -2.459 8.623 1.00 0.00 O ATOM 178 CB ALA X 13 67.015 -3.530 11.462 1.00 0.00 C ATOM 0 H ALA X 13 68.932 -1.925 11.556 1.00 0.00 H new ATOM 0 HA ALA X 13 67.881 -3.612 9.526 1.00 0.00 H new ATOM 0 HB1 ALA X 13 66.118 -4.084 11.186 1.00 0.00 H new ATOM 0 HB2 ALA X 13 67.756 -4.218 11.868 1.00 0.00 H new ATOM 0 HB3 ALA X 13 66.762 -2.783 12.215 1.00 0.00 H new ATOM 184 N GLU X 14 66.340 -0.692 9.949 1.00 0.00 N ATOM 185 CA GLU X 14 65.362 0.221 9.283 1.00 0.00 C ATOM 186 C GLU X 14 65.675 0.333 7.818 1.00 0.00 C ATOM 187 O GLU X 14 64.769 0.375 6.969 1.00 0.00 O ATOM 188 CB GLU X 14 65.374 1.643 9.902 1.00 0.00 C ATOM 189 CG GLU X 14 64.404 1.858 11.061 1.00 0.00 C ATOM 190 CD GLU X 14 62.948 1.817 10.629 1.00 0.00 C ATOM 191 OE1 GLU X 14 62.423 2.861 10.160 1.00 0.00 O ATOM 192 OE2 GLU X 14 62.300 0.758 10.772 1.00 0.00 O ATOM 0 H GLU X 14 66.855 -0.269 10.721 1.00 0.00 H new ATOM 0 HA GLU X 14 64.373 -0.212 9.431 1.00 0.00 H new ATOM 0 HB2 GLU X 14 66.384 1.862 10.250 1.00 0.00 H new ATOM 0 HB3 GLU X 14 65.143 2.365 9.118 1.00 0.00 H new ATOM 0 HG2 GLU X 14 64.575 1.092 11.818 1.00 0.00 H new ATOM 0 HG3 GLU X 14 64.612 2.820 11.528 1.00 0.00 H new ATOM 199 N PHE X 15 66.947 0.351 7.510 1.00 0.00 N ATOM 200 CA PHE X 15 67.339 0.476 6.161 1.00 0.00 C ATOM 201 C PHE X 15 67.240 -0.850 5.451 1.00 0.00 C ATOM 202 O PHE X 15 66.667 -0.904 4.379 1.00 0.00 O ATOM 203 CB PHE X 15 68.718 1.098 6.019 1.00 0.00 C ATOM 204 CG PHE X 15 68.991 1.641 4.641 1.00 0.00 C ATOM 205 CD1 PHE X 15 68.041 2.418 3.989 1.00 0.00 C ATOM 206 CD2 PHE X 15 70.193 1.415 4.018 1.00 0.00 C ATOM 207 CE1 PHE X 15 68.297 2.950 2.756 1.00 0.00 C ATOM 208 CE2 PHE X 15 70.453 1.941 2.780 1.00 0.00 C ATOM 209 CZ PHE X 15 69.503 2.714 2.152 1.00 0.00 C ATOM 0 H PHE X 15 67.711 0.280 8.182 1.00 0.00 H new ATOM 0 HA PHE X 15 66.645 1.164 5.678 1.00 0.00 H new ATOM 0 HB2 PHE X 15 68.821 1.904 6.746 1.00 0.00 H new ATOM 0 HB3 PHE X 15 69.473 0.350 6.263 1.00 0.00 H new ATOM 0 HD1 PHE X 15 67.088 2.604 4.462 1.00 0.00 H new ATOM 0 HD2 PHE X 15 70.944 0.815 4.510 1.00 0.00 H new ATOM 0 HE1 PHE X 15 67.551 3.554 2.260 1.00 0.00 H new ATOM 0 HE2 PHE X 15 71.401 1.750 2.298 1.00 0.00 H new ATOM 0 HZ PHE X 15 69.709 3.136 1.179 1.00 0.00 H new ATOM 219 N VAL X 16 67.731 -1.947 6.076 1.00 0.00 N ATOM 220 CA VAL X 16 67.682 -3.262 5.420 1.00 0.00 C ATOM 221 C VAL X 16 66.237 -3.656 5.082 1.00 0.00 C ATOM 222 O VAL X 16 65.996 -4.343 4.108 1.00 0.00 O ATOM 223 CB VAL X 16 68.338 -4.432 6.225 1.00 0.00 C ATOM 224 CG1 VAL X 16 69.725 -4.154 6.663 1.00 0.00 C ATOM 225 CG2 VAL X 16 67.487 -4.946 7.333 1.00 0.00 C ATOM 0 H VAL X 16 68.152 -1.944 7.005 1.00 0.00 H new ATOM 0 HA VAL X 16 68.278 -3.128 4.517 1.00 0.00 H new ATOM 0 HB VAL X 16 68.413 -5.244 5.502 1.00 0.00 H new ATOM 0 HG11 VAL X 16 70.111 -5.011 7.214 1.00 0.00 H new ATOM 0 HG12 VAL X 16 70.352 -3.971 5.791 1.00 0.00 H new ATOM 0 HG13 VAL X 16 69.734 -3.275 7.307 1.00 0.00 H new ATOM 0 HG21 VAL X 16 68.007 -5.755 7.846 1.00 0.00 H new ATOM 0 HG22 VAL X 16 67.283 -4.141 8.039 1.00 0.00 H new ATOM 0 HG23 VAL X 16 66.547 -5.319 6.927 1.00 0.00 H new ATOM 235 N GLN X 17 65.295 -3.212 5.914 1.00 0.00 N ATOM 236 CA GLN X 17 63.895 -3.458 5.741 1.00 0.00 C ATOM 237 C GLN X 17 63.408 -2.779 4.482 1.00 0.00 C ATOM 238 O GLN X 17 62.738 -3.385 3.654 1.00 0.00 O ATOM 239 CB GLN X 17 63.166 -2.893 6.938 1.00 0.00 C ATOM 240 CG GLN X 17 61.698 -3.129 6.921 1.00 0.00 C ATOM 241 CD GLN X 17 61.003 -2.401 8.034 1.00 0.00 C ATOM 242 OE1 GLN X 17 60.846 -2.921 9.131 1.00 0.00 O ATOM 243 NE2 GLN X 17 60.596 -1.196 7.770 1.00 0.00 N ATOM 0 H GLN X 17 65.508 -2.658 6.744 1.00 0.00 H new ATOM 0 HA GLN X 17 63.709 -4.529 5.655 1.00 0.00 H new ATOM 0 HB2 GLN X 17 63.583 -3.332 7.844 1.00 0.00 H new ATOM 0 HB3 GLN X 17 63.350 -1.820 6.989 1.00 0.00 H new ATOM 0 HG2 GLN X 17 61.289 -2.805 5.964 1.00 0.00 H new ATOM 0 HG3 GLN X 17 61.501 -4.198 7.007 1.00 0.00 H new ATOM 0 HE21 GLN X 17 60.746 -0.799 6.843 1.00 0.00 H new ATOM 0 HE22 GLN X 17 60.126 -0.647 8.490 1.00 0.00 H new ATOM 252 N LEU X 18 63.791 -1.531 4.337 1.00 0.00 N ATOM 253 CA LEU X 18 63.425 -0.730 3.195 1.00 0.00 C ATOM 254 C LEU X 18 64.012 -1.355 1.945 1.00 0.00 C ATOM 255 O LEU X 18 63.364 -1.466 0.914 1.00 0.00 O ATOM 256 CB LEU X 18 63.928 0.718 3.419 1.00 0.00 C ATOM 257 CG LEU X 18 63.589 1.791 2.352 1.00 0.00 C ATOM 258 CD1 LEU X 18 64.554 1.754 1.176 1.00 0.00 C ATOM 259 CD2 LEU X 18 62.158 1.621 1.865 1.00 0.00 C ATOM 0 H LEU X 18 64.372 -1.040 5.017 1.00 0.00 H new ATOM 0 HA LEU X 18 62.343 -0.693 3.070 1.00 0.00 H new ATOM 0 HB2 LEU X 18 63.532 1.063 4.374 1.00 0.00 H new ATOM 0 HB3 LEU X 18 65.013 0.681 3.519 1.00 0.00 H new ATOM 0 HG LEU X 18 63.693 2.766 2.829 1.00 0.00 H new ATOM 0 HD11 LEU X 18 64.278 2.523 0.454 1.00 0.00 H new ATOM 0 HD12 LEU X 18 65.568 1.938 1.531 1.00 0.00 H new ATOM 0 HD13 LEU X 18 64.509 0.775 0.699 1.00 0.00 H new ATOM 0 HD21 LEU X 18 61.936 2.382 1.117 1.00 0.00 H new ATOM 0 HD22 LEU X 18 62.039 0.632 1.423 1.00 0.00 H new ATOM 0 HD23 LEU X 18 61.472 1.728 2.706 1.00 0.00 H new ATOM 271 N LEU X 19 65.221 -1.786 2.086 1.00 0.00 N ATOM 272 CA LEU X 19 65.969 -2.446 1.046 1.00 0.00 C ATOM 273 C LEU X 19 65.291 -3.741 0.604 1.00 0.00 C ATOM 274 O LEU X 19 65.277 -4.068 -0.584 1.00 0.00 O ATOM 275 CB LEU X 19 67.336 -2.732 1.577 1.00 0.00 C ATOM 276 CG LEU X 19 68.144 -1.521 1.980 1.00 0.00 C ATOM 277 CD1 LEU X 19 69.527 -1.890 2.318 1.00 0.00 C ATOM 278 CD2 LEU X 19 68.124 -0.463 0.938 1.00 0.00 C ATOM 0 H LEU X 19 65.742 -1.689 2.957 1.00 0.00 H new ATOM 0 HA LEU X 19 66.023 -1.799 0.170 1.00 0.00 H new ATOM 0 HB2 LEU X 19 67.241 -3.388 2.442 1.00 0.00 H new ATOM 0 HB3 LEU X 19 67.893 -3.283 0.819 1.00 0.00 H new ATOM 0 HG LEU X 19 67.671 -1.110 2.872 1.00 0.00 H new ATOM 0 HD11 LEU X 19 70.082 -0.997 2.604 1.00 0.00 H new ATOM 0 HD12 LEU X 19 69.523 -2.596 3.149 1.00 0.00 H new ATOM 0 HD13 LEU X 19 70.002 -2.351 1.452 1.00 0.00 H new ATOM 0 HD21 LEU X 19 68.718 0.388 1.272 1.00 0.00 H new ATOM 0 HD22 LEU X 19 68.542 -0.857 0.012 1.00 0.00 H new ATOM 0 HD23 LEU X 19 67.097 -0.142 0.765 1.00 0.00 H new ATOM 290 N LYS X 20 64.713 -4.464 1.564 1.00 0.00 N ATOM 291 CA LYS X 20 63.975 -5.683 1.258 1.00 0.00 C ATOM 292 C LYS X 20 62.757 -5.343 0.419 1.00 0.00 C ATOM 293 O LYS X 20 62.374 -6.087 -0.497 1.00 0.00 O ATOM 294 CB LYS X 20 63.517 -6.425 2.523 1.00 0.00 C ATOM 295 CG LYS X 20 64.620 -6.960 3.416 1.00 0.00 C ATOM 296 CD LYS X 20 64.051 -7.993 4.388 1.00 0.00 C ATOM 297 CE LYS X 20 65.119 -8.648 5.259 1.00 0.00 C ATOM 298 NZ LYS X 20 65.693 -7.722 6.254 1.00 0.00 N ATOM 0 H LYS X 20 64.743 -4.225 2.555 1.00 0.00 H new ATOM 0 HA LYS X 20 64.651 -6.340 0.711 1.00 0.00 H new ATOM 0 HB2 LYS X 20 62.896 -5.750 3.111 1.00 0.00 H new ATOM 0 HB3 LYS X 20 62.884 -7.259 2.222 1.00 0.00 H new ATOM 0 HG2 LYS X 20 65.403 -7.413 2.808 1.00 0.00 H new ATOM 0 HG3 LYS X 20 65.080 -6.142 3.970 1.00 0.00 H new ATOM 0 HD2 LYS X 20 63.313 -7.511 5.029 1.00 0.00 H new ATOM 0 HD3 LYS X 20 63.528 -8.765 3.823 1.00 0.00 H new ATOM 0 HE2 LYS X 20 64.685 -9.505 5.775 1.00 0.00 H new ATOM 0 HE3 LYS X 20 65.917 -9.030 4.622 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 66.297 -8.252 6.914 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 66.262 -7.000 5.768 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 64.925 -7.261 6.782 1.00 0.00 H new ATOM 312 N GLU X 21 62.168 -4.199 0.717 1.00 0.00 N ATOM 313 CA GLU X 21 61.019 -3.727 -0.006 1.00 0.00 C ATOM 314 C GLU X 21 61.389 -3.362 -1.433 1.00 0.00 C ATOM 315 O GLU X 21 60.580 -3.548 -2.353 1.00 0.00 O ATOM 316 CB GLU X 21 60.351 -2.549 0.703 1.00 0.00 C ATOM 317 CG GLU X 21 59.829 -2.877 2.090 1.00 0.00 C ATOM 318 CD GLU X 21 58.841 -4.020 2.093 1.00 0.00 C ATOM 319 OE1 GLU X 21 57.665 -3.814 1.748 1.00 0.00 O ATOM 320 OE2 GLU X 21 59.205 -5.140 2.481 1.00 0.00 O ATOM 0 H GLU X 21 62.477 -3.579 1.465 1.00 0.00 H new ATOM 0 HA GLU X 21 60.296 -4.542 -0.039 1.00 0.00 H new ATOM 0 HB2 GLU X 21 61.067 -1.731 0.780 1.00 0.00 H new ATOM 0 HB3 GLU X 21 59.524 -2.191 0.090 1.00 0.00 H new ATOM 0 HG2 GLU X 21 60.669 -3.128 2.738 1.00 0.00 H new ATOM 0 HG3 GLU X 21 59.354 -1.992 2.512 1.00 0.00 H new ATOM 327 N ILE X 22 62.611 -2.877 -1.618 1.00 0.00 N ATOM 328 CA ILE X 22 63.098 -2.510 -2.936 1.00 0.00 C ATOM 329 C ILE X 22 63.189 -3.755 -3.808 1.00 0.00 C ATOM 330 O ILE X 22 62.775 -3.735 -4.945 1.00 0.00 O ATOM 331 CB ILE X 22 64.486 -1.822 -2.904 1.00 0.00 C ATOM 332 CG1 ILE X 22 64.503 -0.674 -1.895 1.00 0.00 C ATOM 333 CG2 ILE X 22 64.807 -1.284 -4.292 1.00 0.00 C ATOM 334 CD1 ILE X 22 65.827 0.045 -1.793 1.00 0.00 C ATOM 0 H ILE X 22 63.284 -2.729 -0.866 1.00 0.00 H new ATOM 0 HA ILE X 22 62.387 -1.792 -3.344 1.00 0.00 H new ATOM 0 HB ILE X 22 65.234 -2.555 -2.602 1.00 0.00 H new ATOM 0 HG12 ILE X 22 63.732 0.046 -2.169 1.00 0.00 H new ATOM 0 HG13 ILE X 22 64.239 -1.065 -0.913 1.00 0.00 H new ATOM 0 HG21 ILE X 22 65.783 -0.798 -4.277 1.00 0.00 H new ATOM 0 HG22 ILE X 22 64.822 -2.107 -5.007 1.00 0.00 H new ATOM 0 HG23 ILE X 22 64.046 -0.561 -4.587 1.00 0.00 H new ATOM 0 HD11 ILE X 22 65.751 0.844 -1.055 1.00 0.00 H new ATOM 0 HD12 ILE X 22 66.601 -0.659 -1.487 1.00 0.00 H new ATOM 0 HD13 ILE X 22 66.086 0.470 -2.763 1.00 0.00 H new ATOM 346 N GLU X 23 63.672 -4.870 -3.231 1.00 0.00 N ATOM 347 CA GLU X 23 63.769 -6.137 -3.979 1.00 0.00 C ATOM 348 C GLU X 23 62.397 -6.508 -4.490 1.00 0.00 C ATOM 349 O GLU X 23 62.206 -6.819 -5.661 1.00 0.00 O ATOM 350 CB GLU X 23 64.170 -7.293 -3.076 1.00 0.00 C ATOM 351 CG GLU X 23 65.539 -7.277 -2.454 1.00 0.00 C ATOM 352 CD GLU X 23 65.759 -8.565 -1.690 1.00 0.00 C ATOM 353 OE1 GLU X 23 65.074 -8.789 -0.667 1.00 0.00 O ATOM 354 OE2 GLU X 23 66.576 -9.401 -2.120 1.00 0.00 O ATOM 0 H GLU X 23 63.996 -4.921 -2.265 1.00 0.00 H new ATOM 0 HA GLU X 23 64.505 -5.985 -4.769 1.00 0.00 H new ATOM 0 HB2 GLU X 23 63.440 -7.352 -2.269 1.00 0.00 H new ATOM 0 HB3 GLU X 23 64.080 -8.212 -3.655 1.00 0.00 H new ATOM 0 HG2 GLU X 23 66.300 -7.165 -3.226 1.00 0.00 H new ATOM 0 HG3 GLU X 23 65.636 -6.423 -1.784 1.00 0.00 H new ATOM 361 N LYS X 24 61.452 -6.394 -3.591 1.00 0.00 N ATOM 362 CA LYS X 24 60.086 -6.782 -3.790 1.00 0.00 C ATOM 363 C LYS X 24 59.435 -6.014 -4.948 1.00 0.00 C ATOM 364 O LYS X 24 58.778 -6.614 -5.800 1.00 0.00 O ATOM 365 CB LYS X 24 59.335 -6.555 -2.482 1.00 0.00 C ATOM 366 CG LYS X 24 57.864 -6.939 -2.487 1.00 0.00 C ATOM 367 CD LYS X 24 57.666 -8.431 -2.684 1.00 0.00 C ATOM 368 CE LYS X 24 56.198 -8.806 -2.601 1.00 0.00 C ATOM 369 NZ LYS X 24 55.613 -8.450 -1.291 1.00 0.00 N ATOM 0 H LYS X 24 61.626 -6.011 -2.662 1.00 0.00 H new ATOM 0 HA LYS X 24 60.045 -7.835 -4.067 1.00 0.00 H new ATOM 0 HB2 LYS X 24 59.835 -7.119 -1.695 1.00 0.00 H new ATOM 0 HB3 LYS X 24 59.415 -5.501 -2.218 1.00 0.00 H new ATOM 0 HG2 LYS X 24 57.407 -6.634 -1.546 1.00 0.00 H new ATOM 0 HG3 LYS X 24 57.351 -6.397 -3.281 1.00 0.00 H new ATOM 0 HD2 LYS X 24 58.066 -8.729 -3.653 1.00 0.00 H new ATOM 0 HD3 LYS X 24 58.227 -8.978 -1.926 1.00 0.00 H new ATOM 0 HE2 LYS X 24 55.648 -8.299 -3.394 1.00 0.00 H new ATOM 0 HE3 LYS X 24 56.086 -9.877 -2.770 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 54.719 -8.965 -1.159 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 56.276 -8.708 -0.533 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 55.431 -7.426 -1.258 1.00 0.00 H new ATOM 383 N GLU X 25 59.630 -4.721 -5.008 1.00 0.00 N ATOM 384 CA GLU X 25 59.029 -3.963 -6.078 1.00 0.00 C ATOM 385 C GLU X 25 59.889 -3.968 -7.343 1.00 0.00 C ATOM 386 O GLU X 25 59.365 -3.942 -8.441 1.00 0.00 O ATOM 387 CB GLU X 25 58.557 -2.558 -5.615 1.00 0.00 C ATOM 388 CG GLU X 25 59.580 -1.709 -4.920 1.00 0.00 C ATOM 389 CD GLU X 25 60.489 -1.100 -5.909 1.00 0.00 C ATOM 390 OE1 GLU X 25 60.030 -0.921 -7.061 1.00 0.00 O ATOM 391 OE2 GLU X 25 61.632 -0.820 -5.577 1.00 0.00 O ATOM 0 H GLU X 25 60.187 -4.180 -4.346 1.00 0.00 H new ATOM 0 HA GLU X 25 58.111 -4.474 -6.368 1.00 0.00 H new ATOM 0 HB2 GLU X 25 58.196 -2.014 -6.488 1.00 0.00 H new ATOM 0 HB3 GLU X 25 57.707 -2.686 -4.945 1.00 0.00 H new ATOM 0 HG2 GLU X 25 59.085 -0.929 -4.341 1.00 0.00 H new ATOM 0 HG3 GLU X 25 60.150 -2.315 -4.216 1.00 0.00 H new ATOM 398 N ASN X 26 61.204 -4.074 -7.186 1.00 0.00 N ATOM 399 CA ASN X 26 62.127 -4.139 -8.327 1.00 0.00 C ATOM 400 C ASN X 26 61.920 -5.417 -9.138 1.00 0.00 C ATOM 401 O ASN X 26 62.031 -5.410 -10.366 1.00 0.00 O ATOM 402 CB ASN X 26 63.599 -4.000 -7.871 1.00 0.00 C ATOM 403 CG ASN X 26 64.613 -4.101 -9.009 1.00 0.00 C ATOM 404 OD1 ASN X 26 64.922 -3.119 -9.674 1.00 0.00 O ATOM 405 ND2 ASN X 26 65.173 -5.272 -9.206 1.00 0.00 N ATOM 0 H ASN X 26 61.663 -4.117 -6.276 1.00 0.00 H new ATOM 0 HA ASN X 26 61.901 -3.294 -8.977 1.00 0.00 H new ATOM 0 HB2 ASN X 26 63.725 -3.040 -7.370 1.00 0.00 H new ATOM 0 HB3 ASN X 26 63.816 -4.774 -7.135 1.00 0.00 H new ATOM 0 HD21 ASN X 26 65.885 -5.382 -9.928 1.00 0.00 H new ATOM 0 HD22 ASN X 26 64.896 -6.072 -8.637 1.00 0.00 H new ATOM 412 N VAL X 27 61.585 -6.519 -8.462 1.00 0.00 N ATOM 413 CA VAL X 27 61.322 -7.785 -9.166 1.00 0.00 C ATOM 414 C VAL X 27 59.933 -7.779 -9.818 1.00 0.00 C ATOM 415 O VAL X 27 59.603 -8.651 -10.624 1.00 0.00 O ATOM 416 CB VAL X 27 61.492 -9.058 -8.273 1.00 0.00 C ATOM 417 CG1 VAL X 27 62.907 -9.155 -7.722 1.00 0.00 C ATOM 418 CG2 VAL X 27 60.463 -9.105 -7.144 1.00 0.00 C ATOM 0 H VAL X 27 61.490 -6.566 -7.448 1.00 0.00 H new ATOM 0 HA VAL X 27 62.088 -7.847 -9.939 1.00 0.00 H new ATOM 0 HB VAL X 27 61.314 -9.924 -8.911 1.00 0.00 H new ATOM 0 HG11 VAL X 27 62.997 -10.049 -7.105 1.00 0.00 H new ATOM 0 HG12 VAL X 27 63.616 -9.211 -8.548 1.00 0.00 H new ATOM 0 HG13 VAL X 27 63.123 -8.274 -7.118 1.00 0.00 H new ATOM 0 HG21 VAL X 27 60.617 -10.005 -6.549 1.00 0.00 H new ATOM 0 HG22 VAL X 27 60.578 -8.226 -6.510 1.00 0.00 H new ATOM 0 HG23 VAL X 27 59.459 -9.118 -7.567 1.00 0.00 H new ATOM 428 N ALA X 28 59.119 -6.812 -9.451 1.00 0.00 N ATOM 429 CA ALA X 28 57.808 -6.637 -10.065 1.00 0.00 C ATOM 430 C ALA X 28 57.914 -5.558 -11.137 1.00 0.00 C ATOM 431 O ALA X 28 57.119 -5.505 -12.078 1.00 0.00 O ATOM 432 CB ALA X 28 56.776 -6.252 -9.017 1.00 0.00 C ATOM 0 H ALA X 28 59.339 -6.128 -8.727 1.00 0.00 H new ATOM 0 HA ALA X 28 57.485 -7.574 -10.519 1.00 0.00 H new ATOM 0 HB1 ALA X 28 55.804 -6.126 -9.493 1.00 0.00 H new ATOM 0 HB2 ALA X 28 56.712 -7.037 -8.264 1.00 0.00 H new ATOM 0 HB3 ALA X 28 57.072 -5.317 -8.542 1.00 0.00 H new ATOM 438 N ALA X 29 58.928 -4.728 -10.969 1.00 0.00 N ATOM 439 CA ALA X 29 59.278 -3.624 -11.834 1.00 0.00 C ATOM 440 C ALA X 29 58.255 -2.512 -11.777 1.00 0.00 C ATOM 441 O ALA X 29 57.280 -2.493 -12.535 1.00 0.00 O ATOM 442 CB ALA X 29 59.581 -4.054 -13.271 1.00 0.00 C ATOM 0 H ALA X 29 59.565 -4.815 -10.177 1.00 0.00 H new ATOM 0 HA ALA X 29 60.212 -3.223 -11.441 1.00 0.00 H new ATOM 0 HB1 ALA X 29 59.836 -3.178 -13.867 1.00 0.00 H new ATOM 0 HB2 ALA X 29 60.419 -4.751 -13.273 1.00 0.00 H new ATOM 0 HB3 ALA X 29 58.704 -4.540 -13.698 1.00 0.00 H new ATOM 448 N THR X 30 58.423 -1.641 -10.814 1.00 0.00 N ATOM 449 CA THR X 30 57.615 -0.463 -10.727 1.00 0.00 C ATOM 450 C THR X 30 58.530 0.656 -11.161 1.00 0.00 C ATOM 451 O THR X 30 59.720 0.408 -11.392 1.00 0.00 O ATOM 452 CB THR X 30 57.117 -0.179 -9.255 1.00 0.00 C ATOM 453 OG1 THR X 30 58.161 0.406 -8.446 1.00 0.00 O ATOM 454 CG2 THR X 30 56.649 -1.458 -8.584 1.00 0.00 C ATOM 0 H THR X 30 59.120 -1.732 -10.075 1.00 0.00 H new ATOM 0 HA THR X 30 56.718 -0.566 -11.338 1.00 0.00 H new ATOM 0 HB THR X 30 56.287 0.523 -9.335 1.00 0.00 H new ATOM 0 HG1 THR X 30 58.572 -0.288 -7.890 1.00 0.00 H new ATOM 0 HG21 THR X 30 56.311 -1.235 -7.572 1.00 0.00 H new ATOM 0 HG22 THR X 30 55.826 -1.888 -9.155 1.00 0.00 H new ATOM 0 HG23 THR X 30 57.473 -2.170 -8.543 1.00 0.00 H new ATOM 462 N ASP X 31 58.043 1.842 -11.334 1.00 0.00 N ATOM 463 CA ASP X 31 58.974 2.928 -11.551 1.00 0.00 C ATOM 464 C ASP X 31 58.586 4.124 -10.743 1.00 0.00 C ATOM 465 O ASP X 31 59.181 5.195 -10.841 1.00 0.00 O ATOM 466 CB ASP X 31 59.217 3.266 -13.031 1.00 0.00 C ATOM 467 CG ASP X 31 58.109 4.043 -13.724 1.00 0.00 C ATOM 468 OD1 ASP X 31 58.064 5.283 -13.587 1.00 0.00 O ATOM 469 OD2 ASP X 31 57.310 3.431 -14.458 1.00 0.00 O ATOM 0 H ASP X 31 57.053 2.089 -11.332 1.00 0.00 H new ATOM 0 HA ASP X 31 59.943 2.577 -11.197 1.00 0.00 H new ATOM 0 HB2 ASP X 31 60.140 3.841 -13.106 1.00 0.00 H new ATOM 0 HB3 ASP X 31 59.377 2.335 -13.575 1.00 0.00 H new ATOM 474 N ASP X 32 57.623 3.917 -9.884 1.00 0.00 N ATOM 475 CA ASP X 32 57.184 4.967 -9.004 1.00 0.00 C ATOM 476 C ASP X 32 57.980 4.866 -7.746 1.00 0.00 C ATOM 477 O ASP X 32 58.895 5.655 -7.510 1.00 0.00 O ATOM 478 CB ASP X 32 55.694 4.868 -8.653 1.00 0.00 C ATOM 479 CG ASP X 32 54.765 4.855 -9.830 1.00 0.00 C ATOM 480 OD1 ASP X 32 54.559 5.914 -10.467 1.00 0.00 O ATOM 481 OD2 ASP X 32 54.195 3.784 -10.127 1.00 0.00 O ATOM 0 H ASP X 32 57.128 3.032 -9.775 1.00 0.00 H new ATOM 0 HA ASP X 32 57.331 5.920 -9.513 1.00 0.00 H new ATOM 0 HB2 ASP X 32 55.533 3.960 -8.072 1.00 0.00 H new ATOM 0 HB3 ASP X 32 55.431 5.708 -8.011 1.00 0.00 H new ATOM 486 N VAL X 33 57.698 3.826 -6.982 1.00 0.00 N ATOM 487 CA VAL X 33 58.346 3.632 -5.712 1.00 0.00 C ATOM 488 C VAL X 33 59.768 3.157 -5.924 1.00 0.00 C ATOM 489 O VAL X 33 60.643 3.521 -5.187 1.00 0.00 O ATOM 490 CB VAL X 33 57.546 2.688 -4.775 1.00 0.00 C ATOM 491 CG1 VAL X 33 57.479 1.266 -5.286 1.00 0.00 C ATOM 492 CG2 VAL X 33 58.043 2.752 -3.339 1.00 0.00 C ATOM 0 H VAL X 33 57.020 3.104 -7.227 1.00 0.00 H new ATOM 0 HA VAL X 33 58.379 4.594 -5.200 1.00 0.00 H new ATOM 0 HB VAL X 33 56.522 3.060 -4.778 1.00 0.00 H new ATOM 0 HG11 VAL X 33 56.907 0.655 -4.588 1.00 0.00 H new ATOM 0 HG12 VAL X 33 56.994 1.253 -6.262 1.00 0.00 H new ATOM 0 HG13 VAL X 33 58.488 0.864 -5.377 1.00 0.00 H new ATOM 0 HG21 VAL X 33 57.454 2.075 -2.720 1.00 0.00 H new ATOM 0 HG22 VAL X 33 59.092 2.457 -3.303 1.00 0.00 H new ATOM 0 HG23 VAL X 33 57.940 3.770 -2.963 1.00 0.00 H new ATOM 502 N LEU X 34 59.980 2.430 -7.007 1.00 0.00 N ATOM 503 CA LEU X 34 61.308 1.958 -7.411 1.00 0.00 C ATOM 504 C LEU X 34 62.207 3.139 -7.593 1.00 0.00 C ATOM 505 O LEU X 34 63.298 3.177 -7.053 1.00 0.00 O ATOM 506 CB LEU X 34 61.143 1.145 -8.719 1.00 0.00 C ATOM 507 CG LEU X 34 62.353 0.502 -9.427 1.00 0.00 C ATOM 508 CD1 LEU X 34 63.153 1.506 -10.223 1.00 0.00 C ATOM 509 CD2 LEU X 34 63.230 -0.253 -8.443 1.00 0.00 C ATOM 0 H LEU X 34 59.234 2.144 -7.641 1.00 0.00 H new ATOM 0 HA LEU X 34 61.758 1.315 -6.655 1.00 0.00 H new ATOM 0 HB2 LEU X 34 60.437 0.342 -8.506 1.00 0.00 H new ATOM 0 HB3 LEU X 34 60.666 1.805 -9.444 1.00 0.00 H new ATOM 0 HG LEU X 34 61.956 -0.219 -10.142 1.00 0.00 H new ATOM 0 HD11 LEU X 34 63.994 1.004 -10.702 1.00 0.00 H new ATOM 0 HD12 LEU X 34 62.517 1.956 -10.985 1.00 0.00 H new ATOM 0 HD13 LEU X 34 63.527 2.284 -9.557 1.00 0.00 H new ATOM 0 HD21 LEU X 34 64.074 -0.695 -8.973 1.00 0.00 H new ATOM 0 HD22 LEU X 34 63.599 0.435 -7.682 1.00 0.00 H new ATOM 0 HD23 LEU X 34 62.647 -1.042 -7.967 1.00 0.00 H new ATOM 521 N ASP X 35 61.715 4.150 -8.274 1.00 0.00 N ATOM 522 CA ASP X 35 62.521 5.346 -8.480 1.00 0.00 C ATOM 523 C ASP X 35 62.759 6.071 -7.189 1.00 0.00 C ATOM 524 O ASP X 35 63.831 6.612 -6.985 1.00 0.00 O ATOM 525 CB ASP X 35 61.971 6.256 -9.576 1.00 0.00 C ATOM 526 CG ASP X 35 62.740 7.557 -9.724 1.00 0.00 C ATOM 527 OD1 ASP X 35 63.726 7.619 -10.526 1.00 0.00 O ATOM 528 OD2 ASP X 35 62.348 8.548 -9.071 1.00 0.00 O ATOM 0 H ASP X 35 60.783 4.176 -8.688 1.00 0.00 H new ATOM 0 HA ASP X 35 63.492 5.013 -8.846 1.00 0.00 H new ATOM 0 HB2 ASP X 35 61.991 5.721 -10.526 1.00 0.00 H new ATOM 0 HB3 ASP X 35 60.927 6.483 -9.360 1.00 0.00 H new ATOM 533 N VAL X 36 61.797 6.016 -6.286 1.00 0.00 N ATOM 534 CA VAL X 36 61.978 6.647 -4.991 1.00 0.00 C ATOM 535 C VAL X 36 63.070 5.963 -4.266 1.00 0.00 C ATOM 536 O VAL X 36 64.004 6.576 -3.841 1.00 0.00 O ATOM 537 CB VAL X 36 60.768 6.437 -4.075 1.00 0.00 C ATOM 538 CG1 VAL X 36 60.983 7.077 -2.747 1.00 0.00 C ATOM 539 CG2 VAL X 36 59.545 6.930 -4.665 1.00 0.00 C ATOM 0 H VAL X 36 60.899 5.551 -6.420 1.00 0.00 H new ATOM 0 HA VAL X 36 62.158 7.703 -5.191 1.00 0.00 H new ATOM 0 HB VAL X 36 60.664 5.361 -3.939 1.00 0.00 H new ATOM 0 HG11 VAL X 36 60.108 6.912 -2.118 1.00 0.00 H new ATOM 0 HG12 VAL X 36 61.861 6.640 -2.270 1.00 0.00 H new ATOM 0 HG13 VAL X 36 61.138 8.148 -2.880 1.00 0.00 H new ATOM 0 HG21 VAL X 36 58.715 6.759 -3.979 1.00 0.00 H new ATOM 0 HG22 VAL X 36 59.640 7.998 -4.860 1.00 0.00 H new ATOM 0 HG23 VAL X 36 59.355 6.405 -5.601 1.00 0.00 H new ATOM 549 N LEU X 37 62.962 4.678 -4.225 1.00 0.00 N ATOM 550 CA LEU X 37 63.807 3.871 -3.428 1.00 0.00 C ATOM 551 C LEU X 37 65.194 3.865 -3.930 1.00 0.00 C ATOM 552 O LEU X 37 66.139 3.952 -3.153 1.00 0.00 O ATOM 553 CB LEU X 37 63.266 2.488 -3.332 1.00 0.00 C ATOM 554 CG LEU X 37 61.818 2.372 -2.810 1.00 0.00 C ATOM 555 CD1 LEU X 37 61.362 0.931 -2.713 1.00 0.00 C ATOM 556 CD2 LEU X 37 61.661 3.072 -1.469 1.00 0.00 C ATOM 0 H LEU X 37 62.268 4.153 -4.757 1.00 0.00 H new ATOM 0 HA LEU X 37 63.832 4.303 -2.428 1.00 0.00 H new ATOM 0 HB2 LEU X 37 63.315 2.029 -4.319 1.00 0.00 H new ATOM 0 HB3 LEU X 37 63.916 1.907 -2.678 1.00 0.00 H new ATOM 0 HG LEU X 37 61.178 2.871 -3.538 1.00 0.00 H new ATOM 0 HD11 LEU X 37 60.338 0.898 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU X 37 61.406 0.468 -3.699 1.00 0.00 H new ATOM 0 HD13 LEU X 37 62.014 0.388 -2.029 1.00 0.00 H new ATOM 0 HD21 LEU X 37 60.631 2.974 -1.126 1.00 0.00 H new ATOM 0 HD22 LEU X 37 62.331 2.617 -0.740 1.00 0.00 H new ATOM 0 HD23 LEU X 37 61.908 4.128 -1.579 1.00 0.00 H new ATOM 568 N LEU X 38 65.317 3.782 -5.216 1.00 0.00 N ATOM 569 CA LEU X 38 66.589 3.792 -5.842 1.00 0.00 C ATOM 570 C LEU X 38 67.315 5.072 -5.558 1.00 0.00 C ATOM 571 O LEU X 38 68.482 5.049 -5.152 1.00 0.00 O ATOM 572 CB LEU X 38 66.478 3.538 -7.330 1.00 0.00 C ATOM 573 CG LEU X 38 66.004 2.157 -7.789 1.00 0.00 C ATOM 574 CD1 LEU X 38 66.501 1.887 -9.168 1.00 0.00 C ATOM 575 CD2 LEU X 38 66.422 1.056 -6.851 1.00 0.00 C ATOM 0 H LEU X 38 64.530 3.705 -5.860 1.00 0.00 H new ATOM 0 HA LEU X 38 67.174 2.975 -5.419 1.00 0.00 H new ATOM 0 HB2 LEU X 38 65.797 4.280 -7.746 1.00 0.00 H new ATOM 0 HB3 LEU X 38 67.457 3.720 -7.774 1.00 0.00 H new ATOM 0 HG LEU X 38 64.914 2.169 -7.786 1.00 0.00 H new ATOM 0 HD11 LEU X 38 66.161 0.903 -9.491 1.00 0.00 H new ATOM 0 HD12 LEU X 38 66.115 2.646 -9.849 1.00 0.00 H new ATOM 0 HD13 LEU X 38 67.591 1.915 -9.174 1.00 0.00 H new ATOM 0 HD21 LEU X 38 66.058 0.100 -7.227 1.00 0.00 H new ATOM 0 HD22 LEU X 38 67.510 1.029 -6.783 1.00 0.00 H new ATOM 0 HD23 LEU X 38 66.001 1.241 -5.863 1.00 0.00 H new ATOM 587 N GLU X 39 66.625 6.174 -5.706 1.00 0.00 N ATOM 588 CA GLU X 39 67.220 7.451 -5.442 1.00 0.00 C ATOM 589 C GLU X 39 67.459 7.637 -3.968 1.00 0.00 C ATOM 590 O GLU X 39 68.495 8.111 -3.566 1.00 0.00 O ATOM 591 CB GLU X 39 66.342 8.564 -5.916 1.00 0.00 C ATOM 592 CG GLU X 39 66.109 8.620 -7.399 1.00 0.00 C ATOM 593 CD GLU X 39 67.376 8.692 -8.200 1.00 0.00 C ATOM 594 OE1 GLU X 39 68.148 9.666 -8.043 1.00 0.00 O ATOM 595 OE2 GLU X 39 67.617 7.781 -9.024 1.00 0.00 O ATOM 0 H GLU X 39 65.651 6.209 -6.008 1.00 0.00 H new ATOM 0 HA GLU X 39 68.168 7.477 -5.979 1.00 0.00 H new ATOM 0 HB2 GLU X 39 65.376 8.479 -5.418 1.00 0.00 H new ATOM 0 HB3 GLU X 39 66.782 9.510 -5.599 1.00 0.00 H new ATOM 0 HG2 GLU X 39 65.545 7.739 -7.704 1.00 0.00 H new ATOM 0 HG3 GLU X 39 65.492 9.489 -7.630 1.00 0.00 H new ATOM 602 N HIS X 40 66.492 7.238 -3.184 1.00 0.00 N ATOM 603 CA HIS X 40 66.504 7.404 -1.748 1.00 0.00 C ATOM 604 C HIS X 40 67.695 6.698 -1.141 1.00 0.00 C ATOM 605 O HIS X 40 68.412 7.256 -0.317 1.00 0.00 O ATOM 606 CB HIS X 40 65.198 6.853 -1.169 1.00 0.00 C ATOM 607 CG HIS X 40 64.995 7.095 0.281 1.00 0.00 C ATOM 608 ND1 HIS X 40 64.233 8.116 0.775 1.00 0.00 N ATOM 609 CD2 HIS X 40 65.455 6.412 1.353 1.00 0.00 C ATOM 610 CE1 HIS X 40 64.250 8.034 2.097 1.00 0.00 C ATOM 611 NE2 HIS X 40 64.980 7.010 2.500 1.00 0.00 N ATOM 0 H HIS X 40 65.652 6.777 -3.532 1.00 0.00 H new ATOM 0 HA HIS X 40 66.587 8.464 -1.507 1.00 0.00 H new ATOM 0 HB2 HIS X 40 64.364 7.294 -1.714 1.00 0.00 H new ATOM 0 HB3 HIS X 40 65.165 5.779 -1.349 1.00 0.00 H new ATOM 0 HD1 HIS X 40 63.739 8.817 0.223 1.00 0.00 H new ATOM 0 HD2 HIS X 40 66.091 5.540 1.316 1.00 0.00 H new ATOM 0 HE1 HIS X 40 63.735 8.715 2.758 1.00 0.00 H new ATOM 619 N PHE X 41 67.908 5.506 -1.586 1.00 0.00 N ATOM 620 CA PHE X 41 69.013 4.710 -1.162 1.00 0.00 C ATOM 621 C PHE X 41 70.320 5.398 -1.516 1.00 0.00 C ATOM 622 O PHE X 41 71.154 5.664 -0.646 1.00 0.00 O ATOM 623 CB PHE X 41 68.891 3.340 -1.828 1.00 0.00 C ATOM 624 CG PHE X 41 70.110 2.450 -1.772 1.00 0.00 C ATOM 625 CD1 PHE X 41 70.308 1.602 -0.718 1.00 0.00 C ATOM 626 CD2 PHE X 41 71.038 2.458 -2.787 1.00 0.00 C ATOM 627 CE1 PHE X 41 71.407 0.777 -0.656 1.00 0.00 C ATOM 628 CE2 PHE X 41 72.136 1.637 -2.724 1.00 0.00 C ATOM 629 CZ PHE X 41 72.323 0.801 -1.667 1.00 0.00 C ATOM 0 H PHE X 41 67.306 5.047 -2.270 1.00 0.00 H new ATOM 0 HA PHE X 41 69.006 4.582 -0.080 1.00 0.00 H new ATOM 0 HB2 PHE X 41 68.060 2.809 -1.365 1.00 0.00 H new ATOM 0 HB3 PHE X 41 68.628 3.492 -2.875 1.00 0.00 H new ATOM 0 HD1 PHE X 41 69.585 1.579 0.084 1.00 0.00 H new ATOM 0 HD2 PHE X 41 70.902 3.112 -3.636 1.00 0.00 H new ATOM 0 HE1 PHE X 41 71.544 0.115 0.187 1.00 0.00 H new ATOM 0 HE2 PHE X 41 72.861 1.655 -3.524 1.00 0.00 H new ATOM 0 HZ PHE X 41 73.191 0.160 -1.628 1.00 0.00 H new ATOM 639 N VAL X 42 70.482 5.719 -2.772 1.00 0.00 N ATOM 640 CA VAL X 42 71.700 6.315 -3.241 1.00 0.00 C ATOM 641 C VAL X 42 71.934 7.726 -2.699 1.00 0.00 C ATOM 642 O VAL X 42 73.055 8.127 -2.522 1.00 0.00 O ATOM 643 CB VAL X 42 71.879 6.208 -4.780 1.00 0.00 C ATOM 644 CG1 VAL X 42 70.881 6.981 -5.564 1.00 0.00 C ATOM 645 CG2 VAL X 42 73.289 6.496 -5.229 1.00 0.00 C ATOM 0 H VAL X 42 69.776 5.575 -3.494 1.00 0.00 H new ATOM 0 HA VAL X 42 72.500 5.711 -2.814 1.00 0.00 H new ATOM 0 HB VAL X 42 71.680 5.160 -5.002 1.00 0.00 H new ATOM 0 HG11 VAL X 42 71.076 6.853 -6.629 1.00 0.00 H new ATOM 0 HG12 VAL X 42 69.879 6.621 -5.333 1.00 0.00 H new ATOM 0 HG13 VAL X 42 70.955 8.037 -5.306 1.00 0.00 H new ATOM 0 HG21 VAL X 42 73.351 6.406 -6.313 1.00 0.00 H new ATOM 0 HG22 VAL X 42 73.566 7.508 -4.933 1.00 0.00 H new ATOM 0 HG23 VAL X 42 73.971 5.783 -4.766 1.00 0.00 H new ATOM 655 N LYS X 43 70.886 8.463 -2.459 1.00 0.00 N ATOM 656 CA LYS X 43 71.014 9.840 -1.943 1.00 0.00 C ATOM 657 C LYS X 43 71.513 9.860 -0.500 1.00 0.00 C ATOM 658 O LYS X 43 72.325 10.704 -0.138 1.00 0.00 O ATOM 659 CB LYS X 43 69.690 10.653 -2.072 1.00 0.00 C ATOM 660 CG LYS X 43 68.596 10.276 -1.058 1.00 0.00 C ATOM 661 CD LYS X 43 67.236 10.971 -1.283 1.00 0.00 C ATOM 662 CE LYS X 43 67.223 12.487 -0.983 1.00 0.00 C ATOM 663 NZ LYS X 43 67.945 13.305 -1.983 1.00 0.00 N ATOM 0 H LYS X 43 69.925 8.154 -2.605 1.00 0.00 H new ATOM 0 HA LYS X 43 71.760 10.328 -2.571 1.00 0.00 H new ATOM 0 HB2 LYS X 43 69.919 11.713 -1.960 1.00 0.00 H new ATOM 0 HB3 LYS X 43 69.294 10.517 -3.079 1.00 0.00 H new ATOM 0 HG2 LYS X 43 68.446 9.197 -1.091 1.00 0.00 H new ATOM 0 HG3 LYS X 43 68.950 10.518 -0.056 1.00 0.00 H new ATOM 0 HD2 LYS X 43 66.933 10.818 -2.319 1.00 0.00 H new ATOM 0 HD3 LYS X 43 66.488 10.485 -0.657 1.00 0.00 H new ATOM 0 HE2 LYS X 43 66.189 12.827 -0.929 1.00 0.00 H new ATOM 0 HE3 LYS X 43 67.666 12.657 -0.002 1.00 0.00 H new ATOM 0 HZ1 LYS X 43 67.396 14.164 -2.190 1.00 0.00 H new ATOM 0 HZ2 LYS X 43 68.877 13.572 -1.606 1.00 0.00 H new ATOM 0 HZ3 LYS X 43 68.070 12.755 -2.857 1.00 0.00 H new ATOM 677 N ILE X 44 71.048 8.938 0.321 1.00 0.00 N ATOM 678 CA ILE X 44 71.450 8.949 1.709 1.00 0.00 C ATOM 679 C ILE X 44 72.819 8.307 1.884 1.00 0.00 C ATOM 680 O ILE X 44 73.584 8.691 2.767 1.00 0.00 O ATOM 681 CB ILE X 44 70.401 8.286 2.637 1.00 0.00 C ATOM 682 CG1 ILE X 44 70.186 6.826 2.276 1.00 0.00 C ATOM 683 CG2 ILE X 44 69.079 9.047 2.541 1.00 0.00 C ATOM 684 CD1 ILE X 44 69.320 6.091 3.251 1.00 0.00 C ATOM 0 H ILE X 44 70.407 8.190 0.058 1.00 0.00 H new ATOM 0 HA ILE X 44 71.518 9.994 2.010 1.00 0.00 H new ATOM 0 HB ILE X 44 70.776 8.326 3.660 1.00 0.00 H new ATOM 0 HG12 ILE X 44 69.735 6.768 1.286 1.00 0.00 H new ATOM 0 HG13 ILE X 44 71.154 6.329 2.215 1.00 0.00 H new ATOM 0 HG21 ILE X 44 68.342 8.580 3.194 1.00 0.00 H new ATOM 0 HG22 ILE X 44 69.232 10.082 2.848 1.00 0.00 H new ATOM 0 HG23 ILE X 44 68.719 9.023 1.512 1.00 0.00 H new ATOM 0 HD11 ILE X 44 69.210 5.055 2.931 1.00 0.00 H new ATOM 0 HD12 ILE X 44 69.780 6.118 4.239 1.00 0.00 H new ATOM 0 HD13 ILE X 44 68.339 6.564 3.295 1.00 0.00 H new ATOM 696 N THR X 45 73.126 7.352 1.028 1.00 0.00 N ATOM 697 CA THR X 45 74.392 6.665 1.085 1.00 0.00 C ATOM 698 C THR X 45 75.486 7.427 0.331 1.00 0.00 C ATOM 699 O THR X 45 76.665 7.412 0.737 1.00 0.00 O ATOM 700 CB THR X 45 74.269 5.237 0.525 1.00 0.00 C ATOM 701 OG1 THR X 45 73.794 5.288 -0.833 1.00 0.00 O ATOM 702 CG2 THR X 45 73.295 4.418 1.359 1.00 0.00 C ATOM 0 H THR X 45 72.508 7.036 0.281 1.00 0.00 H new ATOM 0 HA THR X 45 74.678 6.611 2.135 1.00 0.00 H new ATOM 0 HB THR X 45 75.252 4.767 0.560 1.00 0.00 H new ATOM 0 HG1 THR X 45 72.835 5.088 -0.852 1.00 0.00 H new ATOM 0 HG21 THR X 45 73.221 3.411 0.948 1.00 0.00 H new ATOM 0 HG22 THR X 45 73.652 4.365 2.387 1.00 0.00 H new ATOM 0 HG23 THR X 45 72.313 4.891 1.340 1.00 0.00 H new ATOM 710 N GLU X 46 75.079 8.079 -0.781 1.00 0.00 N ATOM 711 CA GLU X 46 75.964 8.821 -1.682 1.00 0.00 C ATOM 712 C GLU X 46 77.002 7.901 -2.306 1.00 0.00 C ATOM 713 O GLU X 46 78.088 8.325 -2.729 1.00 0.00 O ATOM 714 CB GLU X 46 76.566 10.027 -0.974 1.00 0.00 C ATOM 715 CG GLU X 46 75.584 11.172 -0.807 1.00 0.00 C ATOM 716 CD GLU X 46 75.293 11.879 -2.107 1.00 0.00 C ATOM 717 OE1 GLU X 46 74.464 11.398 -2.914 1.00 0.00 O ATOM 718 OE2 GLU X 46 75.895 12.949 -2.353 1.00 0.00 O ATOM 0 H GLU X 46 74.103 8.099 -1.076 1.00 0.00 H new ATOM 0 HA GLU X 46 75.378 9.216 -2.511 1.00 0.00 H new ATOM 0 HB2 GLU X 46 76.928 9.721 0.007 1.00 0.00 H new ATOM 0 HB3 GLU X 46 77.431 10.377 -1.538 1.00 0.00 H new ATOM 0 HG2 GLU X 46 74.653 10.789 -0.389 1.00 0.00 H new ATOM 0 HG3 GLU X 46 75.985 11.888 -0.090 1.00 0.00 H new ATOM 725 N HIS X 47 76.607 6.644 -2.428 1.00 0.00 N ATOM 726 CA HIS X 47 77.437 5.612 -2.988 1.00 0.00 C ATOM 727 C HIS X 47 77.439 5.767 -4.525 1.00 0.00 C ATOM 728 O HIS X 47 76.391 6.026 -5.112 1.00 0.00 O ATOM 729 CB HIS X 47 76.873 4.231 -2.576 1.00 0.00 C ATOM 730 CG HIS X 47 77.807 3.091 -2.826 1.00 0.00 C ATOM 731 ND1 HIS X 47 77.695 2.197 -3.866 1.00 0.00 N ATOM 732 CD2 HIS X 47 78.914 2.731 -2.149 1.00 0.00 C ATOM 733 CE1 HIS X 47 78.729 1.355 -3.790 1.00 0.00 C ATOM 734 NE2 HIS X 47 79.495 1.636 -2.764 1.00 0.00 N ATOM 0 H HIS X 47 75.687 6.316 -2.134 1.00 0.00 H new ATOM 0 HA HIS X 47 78.459 5.693 -2.619 1.00 0.00 H new ATOM 0 HB2 HIS X 47 76.622 4.255 -1.516 1.00 0.00 H new ATOM 0 HB3 HIS X 47 75.945 4.053 -3.120 1.00 0.00 H new ATOM 0 HD2 HIS X 47 79.290 3.221 -1.263 1.00 0.00 H new ATOM 0 HE1 HIS X 47 78.910 0.547 -4.484 1.00 0.00 H new ATOM 0 HE2 HIS X 47 80.344 1.148 -2.478 1.00 0.00 H new ATOM 742 N PRO X 48 78.593 5.587 -5.201 1.00 0.00 N ATOM 743 CA PRO X 48 78.716 5.799 -6.663 1.00 0.00 C ATOM 744 C PRO X 48 78.000 4.752 -7.455 1.00 0.00 C ATOM 745 O PRO X 48 77.670 4.942 -8.617 1.00 0.00 O ATOM 746 CB PRO X 48 80.195 5.606 -6.929 1.00 0.00 C ATOM 747 CG PRO X 48 80.860 5.674 -5.622 1.00 0.00 C ATOM 748 CD PRO X 48 79.873 5.159 -4.635 1.00 0.00 C ATOM 0 HA PRO X 48 78.302 6.768 -6.943 1.00 0.00 H new ATOM 0 HB2 PRO X 48 80.382 4.646 -7.411 1.00 0.00 H new ATOM 0 HB3 PRO X 48 80.574 6.378 -7.599 1.00 0.00 H new ATOM 0 HG2 PRO X 48 81.769 5.073 -5.615 1.00 0.00 H new ATOM 0 HG3 PRO X 48 81.152 6.697 -5.385 1.00 0.00 H new ATOM 0 HD2 PRO X 48 79.929 4.075 -4.536 1.00 0.00 H new ATOM 0 HD3 PRO X 48 80.037 5.579 -3.643 1.00 0.00 H new ATOM 756 N ASP X 49 77.741 3.666 -6.817 1.00 0.00 N ATOM 757 CA ASP X 49 77.184 2.553 -7.441 1.00 0.00 C ATOM 758 C ASP X 49 75.992 2.170 -6.655 1.00 0.00 C ATOM 759 O ASP X 49 75.750 0.999 -6.377 1.00 0.00 O ATOM 760 CB ASP X 49 78.176 1.390 -7.558 1.00 0.00 C ATOM 761 CG ASP X 49 79.223 1.613 -8.624 1.00 0.00 C ATOM 762 OD1 ASP X 49 78.900 1.479 -9.818 1.00 0.00 O ATOM 763 OD2 ASP X 49 80.382 1.928 -8.292 1.00 0.00 O ATOM 0 H ASP X 49 77.921 3.539 -5.821 1.00 0.00 H new ATOM 0 HA ASP X 49 76.911 2.801 -8.467 1.00 0.00 H new ATOM 0 HB2 ASP X 49 78.669 1.242 -6.597 1.00 0.00 H new ATOM 0 HB3 ASP X 49 77.629 0.474 -7.780 1.00 0.00 H new ATOM 768 N GLY X 50 75.270 3.206 -6.244 1.00 0.00 N ATOM 769 CA GLY X 50 74.074 3.068 -5.453 1.00 0.00 C ATOM 770 C GLY X 50 73.130 2.116 -6.047 1.00 0.00 C ATOM 771 O GLY X 50 72.740 1.135 -5.434 1.00 0.00 O ATOM 0 H GLY X 50 75.510 4.174 -6.459 1.00 0.00 H new ATOM 0 HA2 GLY X 50 74.339 2.737 -4.449 1.00 0.00 H new ATOM 0 HA3 GLY X 50 73.592 4.041 -5.351 1.00 0.00 H new ATOM 775 N THR X 51 72.843 2.309 -7.254 1.00 0.00 N ATOM 776 CA THR X 51 71.852 1.489 -7.825 1.00 0.00 C ATOM 777 C THR X 51 72.347 0.133 -8.257 1.00 0.00 C ATOM 778 O THR X 51 71.583 -0.826 -8.242 1.00 0.00 O ATOM 779 CB THR X 51 70.949 2.197 -8.810 1.00 0.00 C ATOM 780 OG1 THR X 51 71.658 3.300 -9.416 1.00 0.00 O ATOM 781 CG2 THR X 51 69.719 2.692 -8.072 1.00 0.00 C ATOM 0 H THR X 51 73.262 3.008 -7.867 1.00 0.00 H new ATOM 0 HA THR X 51 71.178 1.255 -7.001 1.00 0.00 H new ATOM 0 HB THR X 51 70.643 1.512 -9.601 1.00 0.00 H new ATOM 0 HG1 THR X 51 71.070 3.755 -10.055 1.00 0.00 H new ATOM 0 HG21 THR X 51 69.058 3.205 -8.770 1.00 0.00 H new ATOM 0 HG22 THR X 51 69.194 1.845 -7.631 1.00 0.00 H new ATOM 0 HG23 THR X 51 70.021 3.382 -7.284 1.00 0.00 H new ATOM 789 N ALA X 52 73.644 0.032 -8.544 1.00 0.00 N ATOM 790 CA ALA X 52 74.259 -1.258 -8.825 1.00 0.00 C ATOM 791 C ALA X 52 74.114 -2.125 -7.622 1.00 0.00 C ATOM 792 O ALA X 52 73.762 -3.264 -7.755 1.00 0.00 O ATOM 793 CB ALA X 52 75.714 -1.103 -9.204 1.00 0.00 C ATOM 0 H ALA X 52 74.284 0.825 -8.587 1.00 0.00 H new ATOM 0 HA ALA X 52 73.756 -1.719 -9.675 1.00 0.00 H new ATOM 0 HB1 ALA X 52 76.144 -2.084 -9.407 1.00 0.00 H new ATOM 0 HB2 ALA X 52 75.794 -0.480 -10.095 1.00 0.00 H new ATOM 0 HB3 ALA X 52 76.256 -0.633 -8.383 1.00 0.00 H new ATOM 799 N LEU X 53 74.307 -1.559 -6.436 1.00 0.00 N ATOM 800 CA LEU X 53 74.140 -2.336 -5.223 1.00 0.00 C ATOM 801 C LEU X 53 72.734 -2.914 -5.095 1.00 0.00 C ATOM 802 O LEU X 53 72.588 -4.090 -4.839 1.00 0.00 O ATOM 803 CB LEU X 53 74.513 -1.558 -3.969 1.00 0.00 C ATOM 804 CG LEU X 53 75.976 -1.150 -3.835 1.00 0.00 C ATOM 805 CD1 LEU X 53 76.225 -0.592 -2.461 1.00 0.00 C ATOM 806 CD2 LEU X 53 76.915 -2.318 -4.117 1.00 0.00 C ATOM 0 H LEU X 53 74.574 -0.585 -6.293 1.00 0.00 H new ATOM 0 HA LEU X 53 74.839 -3.168 -5.312 1.00 0.00 H new ATOM 0 HB2 LEU X 53 73.902 -0.656 -3.932 1.00 0.00 H new ATOM 0 HB3 LEU X 53 74.245 -2.160 -3.101 1.00 0.00 H new ATOM 0 HG LEU X 53 76.183 -0.381 -4.579 1.00 0.00 H new ATOM 0 HD11 LEU X 53 77.272 -0.302 -2.370 1.00 0.00 H new ATOM 0 HD12 LEU X 53 75.592 0.281 -2.302 1.00 0.00 H new ATOM 0 HD13 LEU X 53 75.992 -1.350 -1.713 1.00 0.00 H new ATOM 0 HD21 LEU X 53 77.948 -1.988 -4.012 1.00 0.00 H new ATOM 0 HD22 LEU X 53 76.717 -3.123 -3.409 1.00 0.00 H new ATOM 0 HD23 LEU X 53 76.751 -2.679 -5.132 1.00 0.00 H new ATOM 818 N ILE X 54 71.711 -2.102 -5.332 1.00 0.00 N ATOM 819 CA ILE X 54 70.322 -2.575 -5.198 1.00 0.00 C ATOM 820 C ILE X 54 70.003 -3.610 -6.258 1.00 0.00 C ATOM 821 O ILE X 54 69.455 -4.687 -5.966 1.00 0.00 O ATOM 822 CB ILE X 54 69.293 -1.414 -5.280 1.00 0.00 C ATOM 823 CG1 ILE X 54 69.208 -0.660 -3.960 1.00 0.00 C ATOM 824 CG2 ILE X 54 67.905 -1.924 -5.683 1.00 0.00 C ATOM 825 CD1 ILE X 54 68.435 0.622 -4.072 1.00 0.00 C ATOM 0 H ILE X 54 71.805 -1.126 -5.614 1.00 0.00 H new ATOM 0 HA ILE X 54 70.240 -3.027 -4.209 1.00 0.00 H new ATOM 0 HB ILE X 54 69.644 -0.728 -6.051 1.00 0.00 H new ATOM 0 HG12 ILE X 54 68.738 -1.298 -3.212 1.00 0.00 H new ATOM 0 HG13 ILE X 54 70.215 -0.442 -3.606 1.00 0.00 H new ATOM 0 HG21 ILE X 54 67.209 -1.086 -5.731 1.00 0.00 H new ATOM 0 HG22 ILE X 54 67.963 -2.404 -6.660 1.00 0.00 H new ATOM 0 HG23 ILE X 54 67.554 -2.645 -4.945 1.00 0.00 H new ATOM 0 HD11 ILE X 54 68.407 1.116 -3.101 1.00 0.00 H new ATOM 0 HD12 ILE X 54 68.918 1.276 -4.798 1.00 0.00 H new ATOM 0 HD13 ILE X 54 67.418 0.406 -4.398 1.00 0.00 H new ATOM 837 N TYR X 55 70.364 -3.281 -7.476 1.00 0.00 N ATOM 838 CA TYR X 55 70.118 -4.125 -8.602 1.00 0.00 C ATOM 839 C TYR X 55 70.789 -5.467 -8.440 1.00 0.00 C ATOM 840 O TYR X 55 70.140 -6.526 -8.595 1.00 0.00 O ATOM 841 CB TYR X 55 70.561 -3.440 -9.878 1.00 0.00 C ATOM 842 CG TYR X 55 69.505 -2.574 -10.516 1.00 0.00 C ATOM 843 CD1 TYR X 55 68.507 -3.138 -11.296 1.00 0.00 C ATOM 844 CD2 TYR X 55 69.497 -1.204 -10.344 1.00 0.00 C ATOM 845 CE1 TYR X 55 67.538 -2.358 -11.882 1.00 0.00 C ATOM 846 CE2 TYR X 55 68.537 -0.417 -10.926 1.00 0.00 C ATOM 847 CZ TYR X 55 67.558 -0.996 -11.693 1.00 0.00 C ATOM 848 OH TYR X 55 66.599 -0.206 -12.287 1.00 0.00 O ATOM 0 H TYR X 55 70.841 -2.409 -7.706 1.00 0.00 H new ATOM 0 HA TYR X 55 69.045 -4.307 -8.665 1.00 0.00 H new ATOM 0 HB2 TYR X 55 71.436 -2.827 -9.662 1.00 0.00 H new ATOM 0 HB3 TYR X 55 70.873 -4.200 -10.595 1.00 0.00 H new ATOM 0 HD1 TYR X 55 68.490 -4.207 -11.446 1.00 0.00 H new ATOM 0 HD2 TYR X 55 70.263 -0.743 -9.738 1.00 0.00 H new ATOM 0 HE1 TYR X 55 66.767 -2.812 -12.486 1.00 0.00 H new ATOM 0 HE2 TYR X 55 68.551 0.653 -10.781 1.00 0.00 H new ATOM 0 HH TYR X 55 66.756 0.732 -12.051 1.00 0.00 H new ATOM 858 N GLU X 56 72.058 -5.430 -8.088 1.00 0.00 N ATOM 859 CA GLU X 56 72.809 -6.606 -7.849 1.00 0.00 C ATOM 860 C GLU X 56 72.263 -7.356 -6.666 1.00 0.00 C ATOM 861 O GLU X 56 72.151 -8.522 -6.738 1.00 0.00 O ATOM 862 CB GLU X 56 74.258 -6.276 -7.631 1.00 0.00 C ATOM 863 CG GLU X 56 74.985 -5.789 -8.873 1.00 0.00 C ATOM 864 CD GLU X 56 75.277 -6.911 -9.841 1.00 0.00 C ATOM 865 OE1 GLU X 56 74.409 -7.273 -10.657 1.00 0.00 O ATOM 866 OE2 GLU X 56 76.404 -7.459 -9.797 1.00 0.00 O ATOM 0 H GLU X 56 72.585 -4.566 -7.964 1.00 0.00 H new ATOM 0 HA GLU X 56 72.727 -7.243 -8.730 1.00 0.00 H new ATOM 0 HB2 GLU X 56 74.331 -5.511 -6.858 1.00 0.00 H new ATOM 0 HB3 GLU X 56 74.767 -7.162 -7.251 1.00 0.00 H new ATOM 0 HG2 GLU X 56 74.381 -5.030 -9.371 1.00 0.00 H new ATOM 0 HG3 GLU X 56 75.920 -5.311 -8.581 1.00 0.00 H new ATOM 873 N ALA X 57 71.873 -6.662 -5.603 1.00 0.00 N ATOM 874 CA ALA X 57 71.354 -7.326 -4.397 1.00 0.00 C ATOM 875 C ALA X 57 70.164 -8.183 -4.716 1.00 0.00 C ATOM 876 O ALA X 57 70.118 -9.342 -4.331 1.00 0.00 O ATOM 877 CB ALA X 57 70.961 -6.323 -3.340 1.00 0.00 C ATOM 0 H ALA X 57 71.903 -5.644 -5.544 1.00 0.00 H new ATOM 0 HA ALA X 57 72.160 -7.953 -4.015 1.00 0.00 H new ATOM 0 HB1 ALA X 57 70.582 -6.848 -2.463 1.00 0.00 H new ATOM 0 HB2 ALA X 57 71.831 -5.730 -3.060 1.00 0.00 H new ATOM 0 HB3 ALA X 57 70.185 -5.666 -3.733 1.00 0.00 H new ATOM 883 N ALA X 58 69.228 -7.621 -5.455 1.00 0.00 N ATOM 884 CA ALA X 58 68.030 -8.334 -5.828 1.00 0.00 C ATOM 885 C ALA X 58 68.371 -9.578 -6.646 1.00 0.00 C ATOM 886 O ALA X 58 67.909 -10.678 -6.331 1.00 0.00 O ATOM 887 CB ALA X 58 67.078 -7.422 -6.587 1.00 0.00 C ATOM 0 H ALA X 58 69.278 -6.666 -5.809 1.00 0.00 H new ATOM 0 HA ALA X 58 67.528 -8.662 -4.917 1.00 0.00 H new ATOM 0 HB1 ALA X 58 66.181 -7.978 -6.859 1.00 0.00 H new ATOM 0 HB2 ALA X 58 66.803 -6.577 -5.956 1.00 0.00 H new ATOM 0 HB3 ALA X 58 67.567 -7.057 -7.490 1.00 0.00 H new ATOM 893 N ALA X 59 69.232 -9.410 -7.642 1.00 0.00 N ATOM 894 CA ALA X 59 69.614 -10.500 -8.531 1.00 0.00 C ATOM 895 C ALA X 59 70.536 -11.513 -7.836 1.00 0.00 C ATOM 896 O ALA X 59 70.341 -12.709 -7.954 1.00 0.00 O ATOM 897 CB ALA X 59 70.278 -9.949 -9.782 1.00 0.00 C ATOM 0 H ALA X 59 69.683 -8.520 -7.856 1.00 0.00 H new ATOM 0 HA ALA X 59 68.704 -11.030 -8.812 1.00 0.00 H new ATOM 0 HB1 ALA X 59 70.559 -10.773 -10.438 1.00 0.00 H new ATOM 0 HB2 ALA X 59 69.583 -9.291 -10.303 1.00 0.00 H new ATOM 0 HB3 ALA X 59 71.170 -9.387 -9.503 1.00 0.00 H new ATOM 903 N ARG X 60 71.505 -11.008 -7.092 1.00 0.00 N ATOM 904 CA ARG X 60 72.494 -11.815 -6.373 1.00 0.00 C ATOM 905 C ARG X 60 71.851 -12.627 -5.275 1.00 0.00 C ATOM 906 O ARG X 60 72.348 -13.664 -4.905 1.00 0.00 O ATOM 907 CB ARG X 60 73.620 -10.934 -5.772 1.00 0.00 C ATOM 908 CG ARG X 60 74.616 -10.370 -6.753 1.00 0.00 C ATOM 909 CD ARG X 60 75.630 -9.516 -6.014 1.00 0.00 C ATOM 910 NE ARG X 60 76.508 -8.777 -6.921 1.00 0.00 N ATOM 911 CZ ARG X 60 77.499 -7.961 -6.543 1.00 0.00 C ATOM 912 NH1 ARG X 60 77.859 -7.873 -5.261 1.00 0.00 N ATOM 913 NH2 ARG X 60 78.133 -7.252 -7.454 1.00 0.00 N ATOM 0 H ARG X 60 71.635 -10.004 -6.964 1.00 0.00 H new ATOM 0 HA ARG X 60 72.933 -12.495 -7.103 1.00 0.00 H new ATOM 0 HB2 ARG X 60 73.158 -10.104 -5.237 1.00 0.00 H new ATOM 0 HB3 ARG X 60 74.162 -11.526 -5.035 1.00 0.00 H new ATOM 0 HG2 ARG X 60 75.122 -11.179 -7.279 1.00 0.00 H new ATOM 0 HG3 ARG X 60 74.102 -9.773 -7.506 1.00 0.00 H new ATOM 0 HD2 ARG X 60 75.105 -8.812 -5.368 1.00 0.00 H new ATOM 0 HD3 ARG X 60 76.234 -10.153 -5.368 1.00 0.00 H new ATOM 0 HE ARG X 60 76.352 -8.893 -7.922 1.00 0.00 H new ATOM 0 HH11 ARG X 60 77.377 -8.432 -4.556 1.00 0.00 H new ATOM 0 HH12 ARG X 60 78.616 -7.247 -4.986 1.00 0.00 H new ATOM 0 HH21 ARG X 60 77.867 -7.328 -8.436 1.00 0.00 H new ATOM 0 HH22 ARG X 60 78.890 -6.627 -7.178 1.00 0.00 H new ATOM 927 N ALA X 61 70.806 -12.110 -4.689 1.00 0.00 N ATOM 928 CA ALA X 61 70.089 -12.851 -3.688 1.00 0.00 C ATOM 929 C ALA X 61 69.112 -13.860 -4.306 1.00 0.00 C ATOM 930 O ALA X 61 68.961 -14.975 -3.793 1.00 0.00 O ATOM 931 CB ALA X 61 69.424 -11.924 -2.702 1.00 0.00 C ATOM 0 H ALA X 61 70.433 -11.181 -4.886 1.00 0.00 H new ATOM 0 HA ALA X 61 70.814 -13.443 -3.130 1.00 0.00 H new ATOM 0 HB1 ALA X 61 68.888 -12.510 -1.955 1.00 0.00 H new ATOM 0 HB2 ALA X 61 70.181 -11.313 -2.209 1.00 0.00 H new ATOM 0 HB3 ALA X 61 68.722 -11.277 -3.228 1.00 0.00 H new ATOM 937 N ALA X 62 68.451 -13.473 -5.409 1.00 0.00 N ATOM 938 CA ALA X 62 67.483 -14.359 -6.072 1.00 0.00 C ATOM 939 C ALA X 62 68.191 -15.493 -6.792 1.00 0.00 C ATOM 940 O ALA X 62 67.864 -16.667 -6.612 1.00 0.00 O ATOM 941 CB ALA X 62 66.613 -13.578 -7.040 1.00 0.00 C ATOM 0 H ALA X 62 68.568 -12.563 -5.856 1.00 0.00 H new ATOM 0 HA ALA X 62 66.842 -14.790 -5.303 1.00 0.00 H new ATOM 0 HB1 ALA X 62 65.904 -14.254 -7.519 1.00 0.00 H new ATOM 0 HB2 ALA X 62 66.068 -12.806 -6.497 1.00 0.00 H new ATOM 0 HB3 ALA X 62 67.241 -13.113 -7.800 1.00 0.00 H new ATOM 947 N ALA X 63 69.166 -15.150 -7.582 1.00 0.00 N ATOM 948 CA ALA X 63 70.003 -16.123 -8.208 1.00 0.00 C ATOM 949 C ALA X 63 71.318 -15.999 -7.548 1.00 0.00 C ATOM 950 O ALA X 63 72.208 -15.279 -8.016 1.00 0.00 O ATOM 951 CB ALA X 63 70.134 -15.919 -9.708 1.00 0.00 C ATOM 0 H ALA X 63 69.401 -14.184 -7.809 1.00 0.00 H new ATOM 0 HA ALA X 63 69.571 -17.117 -8.095 1.00 0.00 H new ATOM 0 HB1 ALA X 63 70.782 -16.690 -10.125 1.00 0.00 H new ATOM 0 HB2 ALA X 63 69.149 -15.983 -10.171 1.00 0.00 H new ATOM 0 HB3 ALA X 63 70.564 -14.937 -9.905 1.00 0.00 H new ATOM 957 N ASN X 64 71.389 -16.586 -6.395 1.00 0.00 N ATOM 958 CA ASN X 64 72.547 -16.498 -5.571 1.00 0.00 C ATOM 959 C ASN X 64 73.604 -17.474 -6.006 1.00 0.00 C ATOM 960 O ASN X 64 73.411 -18.681 -5.923 1.00 0.00 O ATOM 961 CB ASN X 64 72.180 -16.710 -4.102 1.00 0.00 C ATOM 962 CG ASN X 64 73.369 -16.543 -3.185 1.00 0.00 C ATOM 963 OD1 ASN X 64 74.061 -17.500 -2.873 1.00 0.00 O ATOM 964 ND2 ASN X 64 73.636 -15.334 -2.790 1.00 0.00 N ATOM 0 H ASN X 64 70.635 -17.146 -5.997 1.00 0.00 H new ATOM 0 HA ASN X 64 72.960 -15.495 -5.680 1.00 0.00 H new ATOM 0 HB2 ASN X 64 71.402 -16.001 -3.818 1.00 0.00 H new ATOM 0 HB3 ASN X 64 71.763 -17.709 -3.974 1.00 0.00 H new ATOM 0 HD21 ASN X 64 74.448 -15.158 -2.198 1.00 0.00 H new ATOM 0 HD22 ASN X 64 73.034 -14.561 -3.072 1.00 0.00 H new ATOM 971 N PRO X 65 74.724 -16.978 -6.511 1.00 0.00 N ATOM 972 CA PRO X 65 75.828 -17.812 -6.899 1.00 0.00 C ATOM 973 C PRO X 65 76.864 -17.887 -5.759 1.00 0.00 C ATOM 974 O PRO X 65 77.980 -18.408 -5.924 1.00 0.00 O ATOM 975 CB PRO X 65 76.403 -17.039 -8.080 1.00 0.00 C ATOM 976 CG PRO X 65 76.182 -15.596 -7.739 1.00 0.00 C ATOM 977 CD PRO X 65 74.999 -15.548 -6.801 1.00 0.00 C ATOM 0 HA PRO X 65 75.550 -18.840 -7.131 1.00 0.00 H new ATOM 0 HB2 PRO X 65 77.463 -17.255 -8.216 1.00 0.00 H new ATOM 0 HB3 PRO X 65 75.901 -17.307 -9.010 1.00 0.00 H new ATOM 0 HG2 PRO X 65 77.067 -15.170 -7.267 1.00 0.00 H new ATOM 0 HG3 PRO X 65 75.987 -15.011 -8.638 1.00 0.00 H new ATOM 0 HD2 PRO X 65 75.230 -14.992 -5.892 1.00 0.00 H new ATOM 0 HD3 PRO X 65 74.141 -15.060 -7.263 1.00 0.00 H new ATOM 985 N GLY X 66 76.463 -17.390 -4.609 1.00 0.00 N ATOM 986 CA GLY X 66 77.339 -17.230 -3.491 1.00 0.00 C ATOM 987 C GLY X 66 77.831 -15.806 -3.464 1.00 0.00 C ATOM 988 O GLY X 66 78.043 -15.212 -4.533 1.00 0.00 O ATOM 0 H GLY X 66 75.506 -17.085 -4.432 1.00 0.00 H new ATOM 0 HA2 GLY X 66 76.816 -17.467 -2.564 1.00 0.00 H new ATOM 0 HA3 GLY X 66 78.180 -17.919 -3.568 1.00 0.00 H new ATOM 992 N GLY X 67 77.993 -15.229 -2.310 1.00 0.00 N ATOM 993 CA GLY X 67 78.447 -13.872 -2.283 1.00 0.00 C ATOM 994 C GLY X 67 78.555 -13.293 -0.908 1.00 0.00 C ATOM 995 O GLY X 67 78.332 -13.978 0.108 1.00 0.00 O ATOM 0 H GLY X 67 77.824 -15.661 -1.402 1.00 0.00 H new ATOM 0 HA2 GLY X 67 79.422 -13.816 -2.767 1.00 0.00 H new ATOM 0 HA3 GLY X 67 77.764 -13.259 -2.871 1.00 0.00 H new ATOM 999 N ASP X 68 78.898 -12.033 -0.873 1.00 0.00 N ATOM 1000 CA ASP X 68 79.061 -11.290 0.360 1.00 0.00 C ATOM 1001 C ASP X 68 77.943 -10.267 0.474 1.00 0.00 C ATOM 1002 O ASP X 68 77.445 -9.980 1.563 1.00 0.00 O ATOM 1003 CB ASP X 68 80.416 -10.595 0.350 1.00 0.00 C ATOM 1004 CG ASP X 68 80.788 -9.970 1.673 1.00 0.00 C ATOM 1005 OD1 ASP X 68 81.041 -10.722 2.640 1.00 0.00 O ATOM 1006 OD2 ASP X 68 80.893 -8.729 1.757 1.00 0.00 O ATOM 0 H ASP X 68 79.076 -11.480 -1.711 1.00 0.00 H new ATOM 0 HA ASP X 68 79.016 -11.964 1.215 1.00 0.00 H new ATOM 0 HB2 ASP X 68 81.183 -11.318 0.071 1.00 0.00 H new ATOM 0 HB3 ASP X 68 80.412 -9.822 -0.419 1.00 0.00 H new ATOM 1011 N GLY X 69 77.538 -9.749 -0.672 1.00 0.00 N ATOM 1012 CA GLY X 69 76.454 -8.805 -0.742 1.00 0.00 C ATOM 1013 C GLY X 69 75.388 -9.306 -1.648 1.00 0.00 C ATOM 1014 O GLY X 69 75.028 -8.665 -2.638 1.00 0.00 O ATOM 0 H GLY X 69 77.955 -9.975 -1.575 1.00 0.00 H new ATOM 0 HA2 GLY X 69 76.044 -8.638 0.254 1.00 0.00 H new ATOM 0 HA3 GLY X 69 76.823 -7.844 -1.101 1.00 0.00 H new ATOM 1018 N GLY X 70 74.892 -10.452 -1.320 1.00 0.00 N ATOM 1019 CA GLY X 70 73.852 -11.053 -2.068 1.00 0.00 C ATOM 1020 C GLY X 70 72.604 -11.020 -1.268 1.00 0.00 C ATOM 1021 O GLY X 70 72.141 -12.055 -0.788 1.00 0.00 O ATOM 0 H GLY X 70 75.204 -10.998 -0.517 1.00 0.00 H new ATOM 0 HA2 GLY X 70 73.710 -10.523 -3.010 1.00 0.00 H new ATOM 0 HA3 GLY X 70 74.113 -12.082 -2.317 1.00 0.00 H new ATOM 1025 N GLY X 71 72.094 -9.827 -1.061 1.00 0.00 N ATOM 1026 CA GLY X 71 70.908 -9.653 -0.303 1.00 0.00 C ATOM 1027 C GLY X 71 70.812 -8.265 0.270 1.00 0.00 C ATOM 1028 O GLY X 71 71.811 -7.522 0.301 1.00 0.00 O ATOM 0 H GLY X 71 72.499 -8.962 -1.418 1.00 0.00 H new ATOM 0 HA2 GLY X 71 70.041 -9.847 -0.934 1.00 0.00 H new ATOM 0 HA3 GLY X 71 70.883 -10.383 0.506 1.00 0.00 H new ATOM 1032 N PRO X 72 69.631 -7.899 0.758 1.00 0.00 N ATOM 1033 CA PRO X 72 69.340 -6.569 1.299 1.00 0.00 C ATOM 1034 C PRO X 72 70.130 -6.246 2.577 1.00 0.00 C ATOM 1035 O PRO X 72 70.359 -5.095 2.899 1.00 0.00 O ATOM 1036 CB PRO X 72 67.838 -6.623 1.590 1.00 0.00 C ATOM 1037 CG PRO X 72 67.522 -8.070 1.713 1.00 0.00 C ATOM 1038 CD PRO X 72 68.455 -8.775 0.790 1.00 0.00 C ATOM 0 HA PRO X 72 69.628 -5.784 0.600 1.00 0.00 H new ATOM 0 HB2 PRO X 72 67.594 -6.086 2.507 1.00 0.00 H new ATOM 0 HB3 PRO X 72 67.264 -6.160 0.787 1.00 0.00 H new ATOM 0 HG2 PRO X 72 67.656 -8.412 2.739 1.00 0.00 H new ATOM 0 HG3 PRO X 72 66.484 -8.267 1.444 1.00 0.00 H new ATOM 0 HD2 PRO X 72 68.706 -9.771 1.156 1.00 0.00 H new ATOM 0 HD3 PRO X 72 68.020 -8.900 -0.202 1.00 0.00 H new ATOM 1046 N GLU X 73 70.538 -7.270 3.289 1.00 0.00 N ATOM 1047 CA GLU X 73 71.313 -7.120 4.509 1.00 0.00 C ATOM 1048 C GLU X 73 72.808 -7.272 4.201 1.00 0.00 C ATOM 1049 O GLU X 73 73.652 -7.200 5.097 1.00 0.00 O ATOM 1050 CB GLU X 73 70.820 -8.115 5.548 1.00 0.00 C ATOM 1051 CG GLU X 73 69.302 -8.107 5.648 1.00 0.00 C ATOM 1052 CD GLU X 73 68.750 -9.040 6.667 1.00 0.00 C ATOM 1053 OE1 GLU X 73 69.060 -10.231 6.626 1.00 0.00 O ATOM 1054 OE2 GLU X 73 67.929 -8.597 7.486 1.00 0.00 O ATOM 0 H GLU X 73 70.343 -8.240 3.040 1.00 0.00 H new ATOM 0 HA GLU X 73 71.177 -6.122 4.925 1.00 0.00 H new ATOM 0 HB2 GLU X 73 71.164 -9.116 5.287 1.00 0.00 H new ATOM 0 HB3 GLU X 73 71.251 -7.873 6.519 1.00 0.00 H new ATOM 0 HG2 GLU X 73 68.970 -7.095 5.881 1.00 0.00 H new ATOM 0 HG3 GLU X 73 68.884 -8.363 4.674 1.00 0.00 H new ATOM 1061 N GLY X 74 73.125 -7.474 2.933 1.00 0.00 N ATOM 1062 CA GLY X 74 74.509 -7.510 2.533 1.00 0.00 C ATOM 1063 C GLY X 74 74.925 -6.225 1.848 1.00 0.00 C ATOM 1064 O GLY X 74 76.064 -5.796 1.961 1.00 0.00 O ATOM 0 H GLY X 74 72.452 -7.613 2.180 1.00 0.00 H new ATOM 0 HA2 GLY X 74 75.137 -7.676 3.408 1.00 0.00 H new ATOM 0 HA3 GLY X 74 74.672 -8.351 1.859 1.00 0.00 H new ATOM 1068 N ILE X 75 73.996 -5.590 1.149 1.00 0.00 N ATOM 1069 CA ILE X 75 74.266 -4.276 0.531 1.00 0.00 C ATOM 1070 C ILE X 75 74.508 -3.219 1.565 1.00 0.00 C ATOM 1071 O ILE X 75 75.270 -2.303 1.350 1.00 0.00 O ATOM 1072 CB ILE X 75 73.152 -3.795 -0.380 1.00 0.00 C ATOM 1073 CG1 ILE X 75 71.794 -4.114 0.234 1.00 0.00 C ATOM 1074 CG2 ILE X 75 73.317 -4.369 -1.743 1.00 0.00 C ATOM 1075 CD1 ILE X 75 70.621 -3.532 -0.477 1.00 0.00 C ATOM 0 H ILE X 75 73.054 -5.949 0.990 1.00 0.00 H new ATOM 0 HA ILE X 75 75.161 -4.433 -0.071 1.00 0.00 H new ATOM 0 HB ILE X 75 73.207 -2.711 -0.484 1.00 0.00 H new ATOM 0 HG12 ILE X 75 71.675 -5.197 0.270 1.00 0.00 H new ATOM 0 HG13 ILE X 75 71.787 -3.758 1.264 1.00 0.00 H new ATOM 0 HG21 ILE X 75 72.511 -4.016 -2.386 1.00 0.00 H new ATOM 0 HG22 ILE X 75 74.275 -4.055 -2.156 1.00 0.00 H new ATOM 0 HG23 ILE X 75 73.285 -5.457 -1.686 1.00 0.00 H new ATOM 0 HD11 ILE X 75 69.704 -3.818 0.039 1.00 0.00 H new ATOM 0 HD12 ILE X 75 70.706 -2.445 -0.491 1.00 0.00 H new ATOM 0 HD13 ILE X 75 70.593 -3.907 -1.500 1.00 0.00 H new ATOM 1087 N VAL X 76 73.852 -3.354 2.685 1.00 0.00 N ATOM 1088 CA VAL X 76 74.035 -2.483 3.786 1.00 0.00 C ATOM 1089 C VAL X 76 75.429 -2.623 4.343 1.00 0.00 C ATOM 1090 O VAL X 76 76.008 -1.665 4.805 1.00 0.00 O ATOM 1091 CB VAL X 76 73.010 -2.746 4.862 1.00 0.00 C ATOM 1092 CG1 VAL X 76 71.777 -1.958 4.656 1.00 0.00 C ATOM 1093 CG2 VAL X 76 72.690 -4.181 4.939 1.00 0.00 C ATOM 0 H VAL X 76 73.165 -4.090 2.849 1.00 0.00 H new ATOM 0 HA VAL X 76 73.900 -1.461 3.433 1.00 0.00 H new ATOM 0 HB VAL X 76 73.450 -2.430 5.808 1.00 0.00 H new ATOM 0 HG11 VAL X 76 71.067 -2.178 5.453 1.00 0.00 H new ATOM 0 HG12 VAL X 76 72.018 -0.895 4.668 1.00 0.00 H new ATOM 0 HG13 VAL X 76 71.335 -2.219 3.694 1.00 0.00 H new ATOM 0 HG21 VAL X 76 71.949 -4.347 5.721 1.00 0.00 H new ATOM 0 HG22 VAL X 76 72.289 -4.516 3.982 1.00 0.00 H new ATOM 0 HG23 VAL X 76 73.594 -4.744 5.170 1.00 0.00 H new ATOM 1103 N LYS X 77 75.968 -3.823 4.254 1.00 0.00 N ATOM 1104 CA LYS X 77 77.325 -4.083 4.648 1.00 0.00 C ATOM 1105 C LYS X 77 78.253 -3.343 3.690 1.00 0.00 C ATOM 1106 O LYS X 77 79.152 -2.635 4.115 1.00 0.00 O ATOM 1107 CB LYS X 77 77.598 -5.590 4.640 1.00 0.00 C ATOM 1108 CG LYS X 77 79.031 -5.982 4.931 1.00 0.00 C ATOM 1109 CD LYS X 77 79.199 -7.486 4.875 1.00 0.00 C ATOM 1110 CE LYS X 77 80.648 -7.889 5.071 1.00 0.00 C ATOM 1111 NZ LYS X 77 81.519 -7.398 3.981 1.00 0.00 N ATOM 0 H LYS X 77 75.470 -4.642 3.905 1.00 0.00 H new ATOM 0 HA LYS X 77 77.502 -3.727 5.663 1.00 0.00 H new ATOM 0 HB2 LYS X 77 76.950 -6.065 5.377 1.00 0.00 H new ATOM 0 HB3 LYS X 77 77.319 -5.989 3.665 1.00 0.00 H new ATOM 0 HG2 LYS X 77 79.696 -5.510 4.208 1.00 0.00 H new ATOM 0 HG3 LYS X 77 79.320 -5.616 5.916 1.00 0.00 H new ATOM 0 HD2 LYS X 77 78.583 -7.951 5.645 1.00 0.00 H new ATOM 0 HD3 LYS X 77 78.843 -7.858 3.914 1.00 0.00 H new ATOM 0 HE2 LYS X 77 81.006 -7.498 6.023 1.00 0.00 H new ATOM 0 HE3 LYS X 77 80.716 -8.975 5.126 1.00 0.00 H new ATOM 0 HZ1 LYS X 77 82.459 -7.835 4.064 1.00 0.00 H new ATOM 0 HZ2 LYS X 77 81.101 -7.649 3.063 1.00 0.00 H new ATOM 0 HZ3 LYS X 77 81.610 -6.364 4.049 1.00 0.00 H new ATOM 1125 N GLU X 78 77.954 -3.458 2.404 1.00 0.00 N ATOM 1126 CA GLU X 78 78.688 -2.761 1.346 1.00 0.00 C ATOM 1127 C GLU X 78 78.650 -1.257 1.577 1.00 0.00 C ATOM 1128 O GLU X 78 79.668 -0.566 1.466 1.00 0.00 O ATOM 1129 CB GLU X 78 78.038 -3.085 -0.006 1.00 0.00 C ATOM 1130 CG GLU X 78 78.319 -4.478 -0.523 1.00 0.00 C ATOM 1131 CD GLU X 78 79.769 -4.673 -0.888 1.00 0.00 C ATOM 1132 OE1 GLU X 78 80.606 -4.851 0.014 1.00 0.00 O ATOM 1133 OE2 GLU X 78 80.090 -4.684 -2.106 1.00 0.00 O ATOM 0 H GLU X 78 77.191 -4.040 2.058 1.00 0.00 H new ATOM 0 HA GLU X 78 79.727 -3.090 1.353 1.00 0.00 H new ATOM 0 HB2 GLU X 78 76.959 -2.956 0.084 1.00 0.00 H new ATOM 0 HB3 GLU X 78 78.385 -2.361 -0.744 1.00 0.00 H new ATOM 0 HG2 GLU X 78 78.037 -5.208 0.235 1.00 0.00 H new ATOM 0 HG3 GLU X 78 77.698 -4.670 -1.398 1.00 0.00 H new ATOM 1140 N ILE X 79 77.485 -0.771 1.905 1.00 0.00 N ATOM 1141 CA ILE X 79 77.286 0.629 2.205 1.00 0.00 C ATOM 1142 C ILE X 79 78.031 1.057 3.467 1.00 0.00 C ATOM 1143 O ILE X 79 78.747 2.059 3.457 1.00 0.00 O ATOM 1144 CB ILE X 79 75.769 0.965 2.380 1.00 0.00 C ATOM 1145 CG1 ILE X 79 75.007 0.843 1.054 1.00 0.00 C ATOM 1146 CG2 ILE X 79 75.556 2.344 3.007 1.00 0.00 C ATOM 1147 CD1 ILE X 79 75.497 1.779 -0.029 1.00 0.00 C ATOM 0 H ILE X 79 76.638 -1.335 1.974 1.00 0.00 H new ATOM 0 HA ILE X 79 77.687 1.180 1.354 1.00 0.00 H new ATOM 0 HB ILE X 79 75.362 0.226 3.070 1.00 0.00 H new ATOM 0 HG12 ILE X 79 75.086 -0.183 0.695 1.00 0.00 H new ATOM 0 HG13 ILE X 79 73.950 1.037 1.236 1.00 0.00 H new ATOM 0 HG21 ILE X 79 74.488 2.536 3.110 1.00 0.00 H new ATOM 0 HG22 ILE X 79 76.026 2.373 3.990 1.00 0.00 H new ATOM 0 HG23 ILE X 79 76.002 3.107 2.369 1.00 0.00 H new ATOM 0 HD11 ILE X 79 74.907 1.630 -0.933 1.00 0.00 H new ATOM 0 HD12 ILE X 79 75.392 2.811 0.307 1.00 0.00 H new ATOM 0 HD13 ILE X 79 76.546 1.572 -0.242 1.00 0.00 H new ATOM 1159 N LYS X 80 77.912 0.275 4.518 1.00 0.00 N ATOM 1160 CA LYS X 80 78.448 0.661 5.803 1.00 0.00 C ATOM 1161 C LYS X 80 79.965 0.653 5.797 1.00 0.00 C ATOM 1162 O LYS X 80 80.594 1.542 6.373 1.00 0.00 O ATOM 1163 CB LYS X 80 77.849 -0.194 6.945 1.00 0.00 C ATOM 1164 CG LYS X 80 78.403 -1.591 7.128 1.00 0.00 C ATOM 1165 CD LYS X 80 77.530 -2.367 8.107 1.00 0.00 C ATOM 1166 CE LYS X 80 78.116 -3.719 8.452 1.00 0.00 C ATOM 1167 NZ LYS X 80 79.350 -3.591 9.253 1.00 0.00 N ATOM 0 H LYS X 80 77.448 -0.633 4.507 1.00 0.00 H new ATOM 0 HA LYS X 80 78.146 1.690 5.997 1.00 0.00 H new ATOM 0 HB2 LYS X 80 77.986 0.349 7.880 1.00 0.00 H new ATOM 0 HB3 LYS X 80 76.775 -0.276 6.778 1.00 0.00 H new ATOM 0 HG2 LYS X 80 78.437 -2.107 6.169 1.00 0.00 H new ATOM 0 HG3 LYS X 80 79.426 -1.541 7.500 1.00 0.00 H new ATOM 0 HD2 LYS X 80 77.405 -1.784 9.020 1.00 0.00 H new ATOM 0 HD3 LYS X 80 76.538 -2.503 7.677 1.00 0.00 H new ATOM 0 HE2 LYS X 80 77.381 -4.303 9.006 1.00 0.00 H new ATOM 0 HE3 LYS X 80 78.333 -4.267 7.535 1.00 0.00 H new ATOM 0 HZ1 LYS X 80 79.620 -4.523 9.627 1.00 0.00 H new ATOM 0 HZ2 LYS X 80 80.116 -3.223 8.654 1.00 0.00 H new ATOM 0 HZ3 LYS X 80 79.184 -2.936 10.044 1.00 0.00 H new ATOM 1181 N GLU X 81 80.552 -0.298 5.083 1.00 0.00 N ATOM 1182 CA GLU X 81 81.991 -0.382 5.018 1.00 0.00 C ATOM 1183 C GLU X 81 82.547 0.763 4.185 1.00 0.00 C ATOM 1184 O GLU X 81 83.557 1.348 4.529 1.00 0.00 O ATOM 1185 CB GLU X 81 82.453 -1.746 4.500 1.00 0.00 C ATOM 1186 CG GLU X 81 81.944 -2.909 5.345 1.00 0.00 C ATOM 1187 CD GLU X 81 82.455 -4.254 4.898 1.00 0.00 C ATOM 1188 OE1 GLU X 81 81.979 -4.783 3.877 1.00 0.00 O ATOM 1189 OE2 GLU X 81 83.356 -4.811 5.561 1.00 0.00 O ATOM 0 H GLU X 81 80.055 -1.011 4.549 1.00 0.00 H new ATOM 0 HA GLU X 81 82.387 -0.285 6.029 1.00 0.00 H new ATOM 0 HB2 GLU X 81 82.111 -1.873 3.473 1.00 0.00 H new ATOM 0 HB3 GLU X 81 83.543 -1.770 4.478 1.00 0.00 H new ATOM 0 HG2 GLU X 81 82.235 -2.747 6.383 1.00 0.00 H new ATOM 0 HG3 GLU X 81 80.854 -2.917 5.317 1.00 0.00 H new ATOM 1196 N TRP X 82 81.827 1.114 3.129 1.00 0.00 N ATOM 1197 CA TRP X 82 82.213 2.204 2.230 1.00 0.00 C ATOM 1198 C TRP X 82 82.141 3.525 2.968 1.00 0.00 C ATOM 1199 O TRP X 82 83.061 4.360 2.913 1.00 0.00 O ATOM 1200 CB TRP X 82 81.215 2.279 1.099 1.00 0.00 C ATOM 1201 CG TRP X 82 81.629 3.152 -0.042 1.00 0.00 C ATOM 1202 CD1 TRP X 82 82.408 2.790 -1.096 1.00 0.00 C ATOM 1203 CD2 TRP X 82 81.267 4.527 -0.261 1.00 0.00 C ATOM 1204 NE1 TRP X 82 82.551 3.844 -1.956 1.00 0.00 N ATOM 1205 CE2 TRP X 82 81.863 4.920 -1.472 1.00 0.00 C ATOM 1206 CE3 TRP X 82 80.499 5.456 0.446 1.00 0.00 C ATOM 1207 CZ2 TRP X 82 81.713 6.198 -1.997 1.00 0.00 C ATOM 1208 CZ3 TRP X 82 80.351 6.725 -0.070 1.00 0.00 C ATOM 1209 CH2 TRP X 82 80.954 7.088 -1.284 1.00 0.00 C ATOM 0 H TRP X 82 80.956 0.653 2.867 1.00 0.00 H new ATOM 0 HA TRP X 82 83.223 2.020 1.864 1.00 0.00 H new ATOM 0 HB2 TRP X 82 81.037 1.272 0.722 1.00 0.00 H new ATOM 0 HB3 TRP X 82 80.267 2.644 1.493 1.00 0.00 H new ATOM 0 HD1 TRP X 82 82.849 1.814 -1.234 1.00 0.00 H new ATOM 0 HE1 TRP X 82 83.088 3.829 -2.823 1.00 0.00 H new ATOM 0 HE3 TRP X 82 80.030 5.184 1.380 1.00 0.00 H new ATOM 0 HZ2 TRP X 82 82.177 6.479 -2.931 1.00 0.00 H new ATOM 0 HZ3 TRP X 82 79.761 7.452 0.469 1.00 0.00 H new ATOM 0 HH2 TRP X 82 80.817 8.090 -1.664 1.00 0.00 H new ATOM 1220 N ARG X 83 81.031 3.697 3.656 1.00 0.00 N ATOM 1221 CA ARG X 83 80.720 4.903 4.368 1.00 0.00 C ATOM 1222 C ARG X 83 81.785 5.130 5.439 1.00 0.00 C ATOM 1223 O ARG X 83 82.337 6.219 5.550 1.00 0.00 O ATOM 1224 CB ARG X 83 79.371 4.725 5.044 1.00 0.00 C ATOM 1225 CG ARG X 83 78.671 5.986 5.432 1.00 0.00 C ATOM 1226 CD ARG X 83 78.042 6.759 4.270 1.00 0.00 C ATOM 1227 NE ARG X 83 77.335 7.944 4.805 1.00 0.00 N ATOM 1228 CZ ARG X 83 76.973 9.055 4.138 1.00 0.00 C ATOM 1229 NH1 ARG X 83 77.082 9.133 2.821 1.00 0.00 N ATOM 1230 NH2 ARG X 83 76.438 10.079 4.806 1.00 0.00 N ATOM 0 H ARG X 83 80.308 2.981 3.733 1.00 0.00 H new ATOM 0 HA ARG X 83 80.692 5.753 3.686 1.00 0.00 H new ATOM 0 HB2 ARG X 83 78.721 4.161 4.375 1.00 0.00 H new ATOM 0 HB3 ARG X 83 79.511 4.118 5.939 1.00 0.00 H new ATOM 0 HG2 ARG X 83 77.890 5.744 6.153 1.00 0.00 H new ATOM 0 HG3 ARG X 83 79.382 6.638 5.940 1.00 0.00 H new ATOM 0 HD2 ARG X 83 78.812 7.068 3.563 1.00 0.00 H new ATOM 0 HD3 ARG X 83 77.347 6.120 3.726 1.00 0.00 H new ATOM 0 HE ARG X 83 77.094 7.915 5.796 1.00 0.00 H new ATOM 0 HH11 ARG X 83 77.446 8.341 2.292 1.00 0.00 H new ATOM 0 HH12 ARG X 83 76.802 9.985 2.336 1.00 0.00 H new ATOM 0 HH21 ARG X 83 76.306 10.016 5.815 1.00 0.00 H new ATOM 0 HH22 ARG X 83 76.161 10.924 4.307 1.00 0.00 H new ATOM 1244 N ALA X 84 82.109 4.072 6.173 1.00 0.00 N ATOM 1245 CA ALA X 84 83.111 4.125 7.229 1.00 0.00 C ATOM 1246 C ALA X 84 84.510 4.338 6.654 1.00 0.00 C ATOM 1247 O ALA X 84 85.329 5.069 7.234 1.00 0.00 O ATOM 1248 CB ALA X 84 83.064 2.862 8.068 1.00 0.00 C ATOM 0 H ALA X 84 81.684 3.153 6.052 1.00 0.00 H new ATOM 0 HA ALA X 84 82.881 4.977 7.869 1.00 0.00 H new ATOM 0 HB1 ALA X 84 83.819 2.918 8.852 1.00 0.00 H new ATOM 0 HB2 ALA X 84 82.077 2.762 8.520 1.00 0.00 H new ATOM 0 HB3 ALA X 84 83.262 1.997 7.435 1.00 0.00 H new ATOM 1254 N ALA X 85 84.772 3.700 5.517 1.00 0.00 N ATOM 1255 CA ALA X 85 86.047 3.815 4.821 1.00 0.00 C ATOM 1256 C ALA X 85 86.314 5.252 4.411 1.00 0.00 C ATOM 1257 O ALA X 85 87.411 5.766 4.610 1.00 0.00 O ATOM 1258 CB ALA X 85 86.075 2.909 3.609 1.00 0.00 C ATOM 0 H ALA X 85 84.103 3.087 5.052 1.00 0.00 H new ATOM 0 HA ALA X 85 86.834 3.504 5.507 1.00 0.00 H new ATOM 0 HB1 ALA X 85 87.035 3.009 3.102 1.00 0.00 H new ATOM 0 HB2 ALA X 85 85.937 1.875 3.925 1.00 0.00 H new ATOM 0 HB3 ALA X 85 85.273 3.190 2.926 1.00 0.00 H new ATOM 1264 N ASN X 86 85.307 5.898 3.853 1.00 0.00 N ATOM 1265 CA ASN X 86 85.432 7.302 3.464 1.00 0.00 C ATOM 1266 C ASN X 86 85.522 8.162 4.718 1.00 0.00 C ATOM 1267 O ASN X 86 86.284 9.129 4.782 1.00 0.00 O ATOM 1268 CB ASN X 86 84.216 7.759 2.650 1.00 0.00 C ATOM 1269 CG ASN X 86 84.360 9.191 2.134 1.00 0.00 C ATOM 1270 OD1 ASN X 86 84.129 10.150 2.864 1.00 0.00 O ATOM 1271 ND2 ASN X 86 84.602 9.347 0.869 1.00 0.00 N ATOM 0 H ASN X 86 84.397 5.482 3.657 1.00 0.00 H new ATOM 0 HA ASN X 86 86.329 7.409 2.853 1.00 0.00 H new ATOM 0 HB2 ASN X 86 84.074 7.085 1.805 1.00 0.00 H new ATOM 0 HB3 ASN X 86 83.321 7.688 3.269 1.00 0.00 H new ATOM 0 HD21 ASN X 86 84.603 10.282 0.461 1.00 0.00 H new ATOM 0 HD22 ASN X 86 84.791 8.535 0.282 1.00 0.00 H new ATOM 1278 N GLY X 87 84.743 7.786 5.711 1.00 0.00 N ATOM 1279 CA GLY X 87 84.687 8.519 6.947 1.00 0.00 C ATOM 1280 C GLY X 87 83.414 9.311 7.030 1.00 0.00 C ATOM 1281 O GLY X 87 83.398 10.441 7.505 1.00 0.00 O ATOM 0 H GLY X 87 84.136 6.967 5.679 1.00 0.00 H new ATOM 0 HA2 GLY X 87 84.749 7.830 7.789 1.00 0.00 H new ATOM 0 HA3 GLY X 87 85.544 9.188 7.019 1.00 0.00 H new ATOM 1285 N LYS X 88 82.349 8.725 6.540 1.00 0.00 N ATOM 1286 CA LYS X 88 81.084 9.317 6.498 1.00 0.00 C ATOM 1287 C LYS X 88 80.207 8.605 7.512 1.00 0.00 C ATOM 1288 O LYS X 88 80.391 7.402 7.722 1.00 0.00 O ATOM 1289 CB LYS X 88 80.539 9.090 5.113 1.00 0.00 C ATOM 1290 CG LYS X 88 81.217 9.864 4.004 1.00 0.00 C ATOM 1291 CD LYS X 88 80.631 9.510 2.640 1.00 0.00 C ATOM 1292 CE LYS X 88 81.238 10.356 1.529 1.00 0.00 C ATOM 1293 NZ LYS X 88 80.993 11.798 1.724 1.00 0.00 N ATOM 0 H LYS X 88 82.367 7.783 6.149 1.00 0.00 H new ATOM 0 HA LYS X 88 81.119 10.383 6.725 1.00 0.00 H new ATOM 0 HB2 LYS X 88 80.610 8.027 4.885 1.00 0.00 H new ATOM 0 HB3 LYS X 88 79.479 9.345 5.114 1.00 0.00 H new ATOM 0 HG2 LYS X 88 81.105 10.933 4.183 1.00 0.00 H new ATOM 0 HG3 LYS X 88 82.286 9.650 4.009 1.00 0.00 H new ATOM 0 HD2 LYS X 88 80.807 8.455 2.431 1.00 0.00 H new ATOM 0 HD3 LYS X 88 79.551 9.655 2.659 1.00 0.00 H new ATOM 0 HE2 LYS X 88 82.312 10.175 1.484 1.00 0.00 H new ATOM 0 HE3 LYS X 88 80.822 10.046 0.571 1.00 0.00 H new ATOM 0 HZ1 LYS X 88 81.192 12.307 0.839 1.00 0.00 H new ATOM 0 HZ2 LYS X 88 80.000 11.948 1.993 1.00 0.00 H new ATOM 0 HZ3 LYS X 88 81.614 12.157 2.477 1.00 0.00 H new ATOM 1307 N PRO X 89 79.256 9.305 8.151 1.00 0.00 N ATOM 1308 CA PRO X 89 78.370 8.700 9.156 1.00 0.00 C ATOM 1309 C PRO X 89 77.539 7.566 8.568 1.00 0.00 C ATOM 1310 O PRO X 89 76.938 7.713 7.490 1.00 0.00 O ATOM 1311 CB PRO X 89 77.476 9.860 9.614 1.00 0.00 C ATOM 1312 CG PRO X 89 77.583 10.880 8.530 1.00 0.00 C ATOM 1313 CD PRO X 89 78.965 10.736 7.961 1.00 0.00 C ATOM 0 HA PRO X 89 78.929 8.250 9.976 1.00 0.00 H new ATOM 0 HB2 PRO X 89 76.445 9.534 9.749 1.00 0.00 H new ATOM 0 HB3 PRO X 89 77.811 10.263 10.570 1.00 0.00 H new ATOM 0 HG2 PRO X 89 76.826 10.715 7.763 1.00 0.00 H new ATOM 0 HG3 PRO X 89 77.425 11.885 8.923 1.00 0.00 H new ATOM 0 HD2 PRO X 89 78.999 11.018 6.909 1.00 0.00 H new ATOM 0 HD3 PRO X 89 79.684 11.367 8.484 1.00 0.00 H new ATOM 1321 N GLY X 90 77.530 6.451 9.258 1.00 0.00 N ATOM 1322 CA GLY X 90 76.844 5.285 8.781 1.00 0.00 C ATOM 1323 C GLY X 90 75.510 5.106 9.437 1.00 0.00 C ATOM 1324 O GLY X 90 74.846 6.090 9.778 1.00 0.00 O ATOM 0 H GLY X 90 77.995 6.331 10.158 1.00 0.00 H new ATOM 0 HA2 GLY X 90 76.709 5.361 7.702 1.00 0.00 H new ATOM 0 HA3 GLY X 90 77.458 4.404 8.964 1.00 0.00 H new ATOM 1328 N PHE X 91 75.150 3.868 9.671 1.00 0.00 N ATOM 1329 CA PHE X 91 73.855 3.536 10.218 1.00 0.00 C ATOM 1330 C PHE X 91 73.809 3.779 11.696 1.00 0.00 C ATOM 1331 O PHE X 91 74.807 3.590 12.412 1.00 0.00 O ATOM 1332 CB PHE X 91 73.491 2.083 9.922 1.00 0.00 C ATOM 1333 CG PHE X 91 73.405 1.789 8.464 1.00 0.00 C ATOM 1334 CD1 PHE X 91 72.381 2.317 7.712 1.00 0.00 C ATOM 1335 CD2 PHE X 91 74.356 1.004 7.839 1.00 0.00 C ATOM 1336 CE1 PHE X 91 72.303 2.072 6.370 1.00 0.00 C ATOM 1337 CE2 PHE X 91 74.281 0.755 6.486 1.00 0.00 C ATOM 1338 CZ PHE X 91 73.253 1.290 5.753 1.00 0.00 C ATOM 0 H PHE X 91 75.746 3.061 9.488 1.00 0.00 H new ATOM 0 HA PHE X 91 73.125 4.187 9.737 1.00 0.00 H new ATOM 0 HB2 PHE X 91 74.235 1.428 10.376 1.00 0.00 H new ATOM 0 HB3 PHE X 91 72.535 1.851 10.391 1.00 0.00 H new ATOM 0 HD1 PHE X 91 71.631 2.932 8.187 1.00 0.00 H new ATOM 0 HD2 PHE X 91 75.165 0.582 8.417 1.00 0.00 H new ATOM 0 HE1 PHE X 91 71.494 2.493 5.792 1.00 0.00 H new ATOM 0 HE2 PHE X 91 75.028 0.141 6.005 1.00 0.00 H new ATOM 0 HZ PHE X 91 73.189 1.098 4.692 1.00 0.00 H new ATOM 1348 N LYS X 92 72.667 4.184 12.149 1.00 0.00 N ATOM 1349 CA LYS X 92 72.450 4.475 13.524 1.00 0.00 C ATOM 1350 C LYS X 92 72.064 3.231 14.314 1.00 0.00 C ATOM 1351 O LYS X 92 71.675 2.198 13.758 1.00 0.00 O ATOM 1352 CB LYS X 92 71.411 5.605 13.666 1.00 0.00 C ATOM 1353 CG LYS X 92 70.236 5.316 14.579 1.00 0.00 C ATOM 1354 CD LYS X 92 69.356 6.514 14.756 1.00 0.00 C ATOM 1355 CE LYS X 92 68.196 6.175 15.637 1.00 0.00 C ATOM 1356 NZ LYS X 92 67.283 7.325 15.810 1.00 0.00 N ATOM 0 H LYS X 92 71.845 4.324 11.561 1.00 0.00 H new ATOM 0 HA LYS X 92 73.388 4.824 13.955 1.00 0.00 H new ATOM 0 HB2 LYS X 92 71.920 6.496 14.033 1.00 0.00 H new ATOM 0 HB3 LYS X 92 71.025 5.844 12.675 1.00 0.00 H new ATOM 0 HG2 LYS X 92 69.651 4.494 14.167 1.00 0.00 H new ATOM 0 HG3 LYS X 92 70.604 4.990 15.552 1.00 0.00 H new ATOM 0 HD2 LYS X 92 69.927 7.333 15.193 1.00 0.00 H new ATOM 0 HD3 LYS X 92 68.997 6.858 13.786 1.00 0.00 H new ATOM 0 HE2 LYS X 92 67.647 5.336 15.208 1.00 0.00 H new ATOM 0 HE3 LYS X 92 68.562 5.852 16.611 1.00 0.00 H new ATOM 0 HZ1 LYS X 92 66.338 6.981 16.074 1.00 0.00 H new ATOM 0 HZ2 LYS X 92 67.647 7.948 16.559 1.00 0.00 H new ATOM 0 HZ3 LYS X 92 67.221 7.856 14.918 1.00 0.00 H new ATOM 1370 N GLN X 93 72.194 3.364 15.589 1.00 0.00 N ATOM 1371 CA GLN X 93 71.885 2.372 16.549 1.00 0.00 C ATOM 1372 C GLN X 93 70.428 2.495 16.959 1.00 0.00 C ATOM 1373 O GLN X 93 69.953 3.594 17.290 1.00 0.00 O ATOM 1374 CB GLN X 93 72.680 2.710 17.737 1.00 0.00 C ATOM 1375 CG GLN X 93 74.158 2.709 17.508 1.00 0.00 C ATOM 1376 CD GLN X 93 74.895 3.412 18.614 1.00 0.00 C ATOM 1377 OE1 GLN X 93 74.310 4.468 19.121 1.00 0.00 O flip ATOM 1378 NE2 GLN X 93 76.016 3.043 18.970 1.00 0.00 N flip ATOM 0 H GLN X 93 72.541 4.225 16.011 1.00 0.00 H new ATOM 0 HA GLN X 93 72.082 1.375 16.155 1.00 0.00 H new ATOM 0 HB2 GLN X 93 72.380 3.696 18.093 1.00 0.00 H new ATOM 0 HB3 GLN X 93 72.446 2.000 18.530 1.00 0.00 H new ATOM 0 HG2 GLN X 93 74.513 1.681 17.431 1.00 0.00 H new ATOM 0 HG3 GLN X 93 74.379 3.195 16.558 1.00 0.00 H new ATOM 0 HE21 GLN X 93 76.437 2.214 18.550 1.00 0.00 H new ATOM 0 HE22 GLN X 93 76.522 3.566 19.684 1.00 0.00 H new ATOM 1387 N GLY X 94 69.752 1.416 16.945 1.00 0.00 N ATOM 1388 CA GLY X 94 68.403 1.360 17.409 1.00 0.00 C ATOM 1389 C GLY X 94 67.783 0.078 16.982 1.00 0.00 C ATOM 1390 O GLY X 94 68.531 -0.895 16.767 1.00 0.00 O ATOM 1391 OXT GLY X 94 66.553 -0.003 16.861 1.00 0.00 O ATOM 0 H GLY X 94 70.115 0.525 16.607 1.00 0.00 H new ATOM 0 HA2 GLY X 94 68.377 1.444 18.495 1.00 0.00 H new ATOM 0 HA3 GLY X 94 67.835 2.201 17.011 1.00 0.00 H new TER 1395 GLY X 94