USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 588 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: A 13 LYS NZ :NH3+ 175:sc= 0 (180deg=0) USER MOD Set 1.2: A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0491 K(o=-0.049,f=-1.6) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.655 USER MOD Single : A 21 THR OG1 : rot -116:sc= -0.82 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -7.94! C(o=-7.9!,f=-22!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -1.95! C(o=-1.9!,f=-13!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -2.54 K(o=-2.5,f=-3.4!) USER MOD Single : A 58 GLN : amide:sc= -1.84 X(o=-1.8,f=-1.5) USER MOD Single : A 61 LYS NZ :NH3+ -149:sc= 0.982 (180deg=-0.442!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.248 K(o=-0.25,f=-1.7!) USER MOD Single : A 66 TYR OH : rot 60:sc= 0.811 USER MOD Single : A 67 ASN : amide:sc=-0.00738 X(o=-0.0074,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.933 -12.844 -7.384 1.00 0.00 N ATOM 60 CA GLY A 7 6.543 -11.445 -7.346 1.00 0.00 C ATOM 61 C GLY A 7 7.247 -10.709 -6.205 1.00 0.00 C ATOM 62 O GLY A 7 8.078 -11.289 -5.507 1.00 0.00 O ATOM 0 HA2 GLY A 7 6.788 -10.970 -8.296 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.463 -11.368 -7.221 1.00 0.00 H new ATOM 66 N LEU A 8 6.890 -9.443 -6.050 1.00 0.00 N ATOM 67 CA LEU A 8 7.478 -8.622 -5.005 1.00 0.00 C ATOM 68 C LEU A 8 6.532 -8.580 -3.803 1.00 0.00 C ATOM 69 O LEU A 8 5.327 -8.395 -3.963 1.00 0.00 O ATOM 70 CB LEU A 8 7.841 -7.239 -5.551 1.00 0.00 C ATOM 71 CG LEU A 8 8.482 -6.272 -4.554 1.00 0.00 C ATOM 72 CD1 LEU A 8 9.766 -5.666 -5.125 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.486 -5.196 -4.116 1.00 0.00 C ATOM 0 H LEU A 8 6.201 -8.965 -6.631 1.00 0.00 H new ATOM 0 HA LEU A 8 8.415 -9.059 -4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.524 -7.369 -6.391 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.936 -6.777 -5.945 1.00 0.00 H new ATOM 0 HG LEU A 8 8.760 -6.835 -3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.201 -4.982 -4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.477 -6.462 -5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.535 -5.121 -6.041 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.967 -4.522 -3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.155 -4.631 -4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.626 -5.668 -3.641 1.00 0.00 H new ATOM 85 N GLU A 9 7.115 -8.754 -2.626 1.00 0.00 N ATOM 86 CA GLU A 9 6.339 -8.738 -1.398 1.00 0.00 C ATOM 87 C GLU A 9 6.195 -7.306 -0.879 1.00 0.00 C ATOM 88 O GLU A 9 7.153 -6.535 -0.900 1.00 0.00 O ATOM 89 CB GLU A 9 6.971 -9.644 -0.338 1.00 0.00 C ATOM 90 CG GLU A 9 6.149 -9.636 0.952 1.00 0.00 C ATOM 91 CD GLU A 9 6.943 -10.238 2.112 1.00 0.00 C ATOM 92 OE1 GLU A 9 8.173 -10.383 1.944 1.00 0.00 O ATOM 93 OE2 GLU A 9 6.302 -10.541 3.142 1.00 0.00 O ATOM 0 H GLU A 9 8.115 -8.907 -2.497 1.00 0.00 H new ATOM 0 HA GLU A 9 5.344 -9.127 -1.615 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.043 -10.662 -0.721 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.987 -9.310 -0.128 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.860 -8.614 1.197 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.229 -10.201 0.804 1.00 0.00 H new ATOM 100 N VAL A 10 4.990 -6.993 -0.427 1.00 0.00 N ATOM 101 CA VAL A 10 4.708 -5.667 0.096 1.00 0.00 C ATOM 102 C VAL A 10 3.801 -5.789 1.322 1.00 0.00 C ATOM 103 O VAL A 10 2.783 -6.478 1.280 1.00 0.00 O ATOM 104 CB VAL A 10 4.110 -4.787 -1.004 1.00 0.00 C ATOM 105 CG1 VAL A 10 3.885 -3.360 -0.503 1.00 0.00 C ATOM 106 CG2 VAL A 10 4.992 -4.797 -2.254 1.00 0.00 C ATOM 0 H VAL A 10 4.197 -7.635 -0.412 1.00 0.00 H new ATOM 0 HA VAL A 10 5.628 -5.181 0.419 1.00 0.00 H new ATOM 0 HB VAL A 10 3.140 -5.203 -1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.459 -2.756 -1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.198 -3.376 0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.837 -2.930 -0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.544 -4.164 -3.020 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.983 -4.418 -2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.078 -5.816 -2.630 1.00 0.00 H new ATOM 116 N LEU A 11 4.204 -5.110 2.386 1.00 0.00 N ATOM 117 CA LEU A 11 3.441 -5.134 3.622 1.00 0.00 C ATOM 118 C LEU A 11 2.718 -3.796 3.796 1.00 0.00 C ATOM 119 O LEU A 11 3.055 -2.814 3.136 1.00 0.00 O ATOM 120 CB LEU A 11 4.343 -5.503 4.801 1.00 0.00 C ATOM 121 CG LEU A 11 4.866 -6.941 4.821 1.00 0.00 C ATOM 122 CD1 LEU A 11 5.881 -7.171 3.700 1.00 0.00 C ATOM 123 CD2 LEU A 11 5.438 -7.297 6.195 1.00 0.00 C ATOM 0 H LEU A 11 5.049 -4.540 2.417 1.00 0.00 H new ATOM 0 HA LEU A 11 2.675 -5.908 3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.198 -4.826 4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.792 -5.325 5.724 1.00 0.00 H new ATOM 0 HG LEU A 11 4.027 -7.612 4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.237 -8.201 3.737 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.407 -6.985 2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.724 -6.491 3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.803 -8.324 6.182 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.261 -6.623 6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.658 -7.198 6.950 1.00 0.00 H new ATOM 135 N VAL A 12 1.738 -3.801 4.688 1.00 0.00 N ATOM 136 CA VAL A 12 0.965 -2.601 4.957 1.00 0.00 C ATOM 137 C VAL A 12 0.470 -2.632 6.404 1.00 0.00 C ATOM 138 O VAL A 12 -0.316 -3.503 6.776 1.00 0.00 O ATOM 139 CB VAL A 12 -0.170 -2.471 3.939 1.00 0.00 C ATOM 140 CG1 VAL A 12 -1.200 -1.436 4.396 1.00 0.00 C ATOM 141 CG2 VAL A 12 0.374 -2.126 2.551 1.00 0.00 C ATOM 0 H VAL A 12 1.462 -4.617 5.234 1.00 0.00 H new ATOM 0 HA VAL A 12 1.587 -1.713 4.846 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.671 -3.437 3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.996 -1.363 3.655 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.622 -1.741 5.353 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.716 -0.465 4.506 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.454 -2.040 1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.912 -1.179 2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.051 -2.913 2.220 1.00 0.00 H new ATOM 151 N LYS A 13 0.949 -1.672 7.181 1.00 0.00 N ATOM 152 CA LYS A 13 0.565 -1.578 8.579 1.00 0.00 C ATOM 153 C LYS A 13 -0.310 -0.339 8.781 1.00 0.00 C ATOM 154 O LYS A 13 0.173 0.788 8.686 1.00 0.00 O ATOM 155 CB LYS A 13 1.802 -1.611 9.478 1.00 0.00 C ATOM 156 CG LYS A 13 1.414 -1.873 10.935 1.00 0.00 C ATOM 157 CD LYS A 13 2.653 -2.135 11.793 1.00 0.00 C ATOM 158 CE LYS A 13 2.607 -1.320 13.087 1.00 0.00 C ATOM 159 NZ LYS A 13 3.727 -0.353 13.130 1.00 0.00 N ATOM 0 H LYS A 13 1.600 -0.952 6.869 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.033 -2.442 8.869 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.485 -2.388 9.134 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.335 -0.663 9.405 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.868 -1.016 11.330 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.743 -2.730 10.988 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.717 -3.197 12.030 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.550 -1.879 11.230 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.657 -0.789 13.156 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.662 -1.988 13.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.633 0.249 13.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.629 -0.868 13.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.706 0.240 12.276 1.00 0.00 H new ATOM 173 N THR A 14 -1.581 -0.589 9.057 1.00 0.00 N ATOM 174 CA THR A 14 -2.527 0.492 9.273 1.00 0.00 C ATOM 175 C THR A 14 -2.319 1.113 10.656 1.00 0.00 C ATOM 176 O THR A 14 -1.353 0.792 11.346 1.00 0.00 O ATOM 177 CB THR A 14 -3.937 -0.064 9.063 1.00 0.00 C ATOM 178 OG1 THR A 14 -4.191 -0.823 10.242 1.00 0.00 O ATOM 179 CG2 THR A 14 -3.997 -1.096 7.935 1.00 0.00 C ATOM 0 H THR A 14 -1.978 -1.525 9.136 1.00 0.00 H new ATOM 0 HA THR A 14 -2.372 1.302 8.560 1.00 0.00 H new ATOM 0 HB THR A 14 -4.621 0.756 8.842 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.086 -1.218 10.190 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.019 -1.459 7.828 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.676 -0.634 7.002 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.338 -1.932 8.171 1.00 0.00 H new ATOM 187 N LEU A 15 -3.242 1.992 11.019 1.00 0.00 N ATOM 188 CA LEU A 15 -3.172 2.661 12.307 1.00 0.00 C ATOM 189 C LEU A 15 -3.880 1.806 13.361 1.00 0.00 C ATOM 190 O LEU A 15 -4.858 2.242 13.965 1.00 0.00 O ATOM 191 CB LEU A 15 -3.721 4.085 12.202 1.00 0.00 C ATOM 192 CG LEU A 15 -2.987 5.017 11.236 1.00 0.00 C ATOM 193 CD1 LEU A 15 -3.110 4.521 9.794 1.00 0.00 C ATOM 194 CD2 LEU A 15 -3.473 6.460 11.389 1.00 0.00 C ATOM 0 H LEU A 15 -4.042 2.256 10.444 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.135 2.766 12.625 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.766 4.029 11.898 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.702 4.535 13.195 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.927 5.005 11.491 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.579 5.202 9.129 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.677 3.524 9.714 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.162 4.483 9.511 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.935 7.101 10.691 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.541 6.509 11.177 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.290 6.800 12.408 1.00 0.00 H new ATOM 206 N ASP A 16 -3.357 0.603 13.548 1.00 0.00 N ATOM 207 CA ASP A 16 -3.926 -0.317 14.518 1.00 0.00 C ATOM 208 C ASP A 16 -3.048 -1.567 14.606 1.00 0.00 C ATOM 209 O ASP A 16 -3.553 -2.674 14.788 1.00 0.00 O ATOM 210 CB ASP A 16 -5.332 -0.755 14.103 1.00 0.00 C ATOM 211 CG ASP A 16 -6.357 -0.801 15.238 1.00 0.00 C ATOM 212 OD1 ASP A 16 -6.161 -0.042 16.211 1.00 0.00 O ATOM 213 OD2 ASP A 16 -7.314 -1.595 15.106 1.00 0.00 O ATOM 0 H ASP A 16 -2.546 0.244 13.044 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.977 0.195 15.479 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.696 -0.075 13.333 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.269 -1.745 13.650 1.00 0.00 H new ATOM 218 N SER A 17 -1.748 -1.348 14.472 1.00 0.00 N ATOM 219 CA SER A 17 -0.795 -2.443 14.533 1.00 0.00 C ATOM 220 C SER A 17 -1.367 -3.675 13.829 1.00 0.00 C ATOM 221 O SER A 17 -1.676 -4.676 14.474 1.00 0.00 O ATOM 222 CB SER A 17 -0.435 -2.780 15.982 1.00 0.00 C ATOM 223 OG SER A 17 0.964 -2.992 16.148 1.00 0.00 O ATOM 0 H SER A 17 -1.333 -0.429 14.321 1.00 0.00 H new ATOM 0 HA SER A 17 0.117 -2.131 14.023 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.759 -1.969 16.634 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.977 -3.674 16.292 1.00 0.00 H new ATOM 0 HG SER A 17 1.154 -3.203 17.086 1.00 0.00 H new ATOM 229 N GLN A 18 -1.490 -3.562 12.514 1.00 0.00 N ATOM 230 CA GLN A 18 -2.020 -4.654 11.715 1.00 0.00 C ATOM 231 C GLN A 18 -1.330 -4.696 10.350 1.00 0.00 C ATOM 232 O GLN A 18 -1.789 -4.066 9.399 1.00 0.00 O ATOM 233 CB GLN A 18 -3.537 -4.534 11.559 1.00 0.00 C ATOM 234 CG GLN A 18 -4.261 -5.132 12.767 1.00 0.00 C ATOM 235 CD GLN A 18 -5.461 -5.973 12.327 1.00 0.00 C ATOM 236 OE1 GLN A 18 -6.041 -5.769 11.273 1.00 0.00 O ATOM 237 NE2 GLN A 18 -5.798 -6.927 13.190 1.00 0.00 N ATOM 0 H GLN A 18 -1.232 -2.731 11.982 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.815 -5.591 12.234 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.813 -3.485 11.447 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.854 -5.046 10.650 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.570 -5.750 13.340 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.596 -4.332 13.427 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.269 -7.043 14.054 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.585 -7.543 12.987 1.00 0.00 H new ATOM 246 N THR A 19 -0.238 -5.445 10.298 1.00 0.00 N ATOM 247 CA THR A 19 0.520 -5.577 9.065 1.00 0.00 C ATOM 248 C THR A 19 -0.060 -6.698 8.200 1.00 0.00 C ATOM 249 O THR A 19 -0.523 -7.712 8.720 1.00 0.00 O ATOM 250 CB THR A 19 1.989 -5.793 9.434 1.00 0.00 C ATOM 251 OG1 THR A 19 2.345 -4.612 10.147 1.00 0.00 O ATOM 252 CG2 THR A 19 2.908 -5.781 8.210 1.00 0.00 C ATOM 0 H THR A 19 0.140 -5.966 11.089 1.00 0.00 H new ATOM 0 HA THR A 19 0.451 -4.673 8.460 1.00 0.00 H new ATOM 0 HB THR A 19 2.096 -6.742 9.959 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.283 -4.668 10.426 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.939 -5.938 8.527 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.613 -6.577 7.526 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.827 -4.819 7.704 1.00 0.00 H new ATOM 260 N ARG A 20 -0.016 -6.478 6.894 1.00 0.00 N ATOM 261 CA ARG A 20 -0.531 -7.457 5.952 1.00 0.00 C ATOM 262 C ARG A 20 0.443 -7.636 4.786 1.00 0.00 C ATOM 263 O ARG A 20 0.699 -6.695 4.036 1.00 0.00 O ATOM 264 CB ARG A 20 -1.896 -7.031 5.407 1.00 0.00 C ATOM 265 CG ARG A 20 -3.011 -7.356 6.403 1.00 0.00 C ATOM 266 CD ARG A 20 -4.221 -6.446 6.188 1.00 0.00 C ATOM 267 NE ARG A 20 -5.137 -6.539 7.346 1.00 0.00 N ATOM 268 CZ ARG A 20 -6.423 -6.162 7.320 1.00 0.00 C ATOM 269 NH1 ARG A 20 -6.952 -5.662 6.195 1.00 0.00 N ATOM 270 NH2 ARG A 20 -7.179 -6.283 8.420 1.00 0.00 N ATOM 0 H ARG A 20 0.369 -5.636 6.466 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.643 -8.402 6.484 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.890 -5.961 5.199 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.089 -7.539 4.462 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.311 -8.398 6.291 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.640 -7.239 7.421 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.892 -5.415 6.056 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.744 -6.733 5.276 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.767 -6.914 8.219 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.376 -5.568 5.358 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.931 -5.375 6.175 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.776 -6.662 9.277 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.158 -5.996 8.400 1.00 0.00 H new ATOM 284 N THR A 21 0.961 -8.850 4.671 1.00 0.00 N ATOM 285 CA THR A 21 1.901 -9.165 3.609 1.00 0.00 C ATOM 286 C THR A 21 1.161 -9.385 2.288 1.00 0.00 C ATOM 287 O THR A 21 0.148 -10.081 2.249 1.00 0.00 O ATOM 288 CB THR A 21 2.727 -10.374 4.052 1.00 0.00 C ATOM 289 OG1 THR A 21 3.827 -9.804 4.757 1.00 0.00 O ATOM 290 CG2 THR A 21 3.377 -11.102 2.874 1.00 0.00 C ATOM 0 H THR A 21 0.747 -9.627 5.296 1.00 0.00 H new ATOM 0 HA THR A 21 2.584 -8.335 3.427 1.00 0.00 H new ATOM 0 HB THR A 21 2.090 -11.067 4.601 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.660 -10.009 4.284 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.951 -11.952 3.243 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.603 -11.456 2.193 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.041 -10.418 2.345 1.00 0.00 H new ATOM 298 N PHE A 22 1.696 -8.779 1.239 1.00 0.00 N ATOM 299 CA PHE A 22 1.098 -8.900 -0.080 1.00 0.00 C ATOM 300 C PHE A 22 2.160 -9.215 -1.136 1.00 0.00 C ATOM 301 O PHE A 22 3.265 -8.677 -1.090 1.00 0.00 O ATOM 302 CB PHE A 22 0.457 -7.550 -0.406 1.00 0.00 C ATOM 303 CG PHE A 22 -0.766 -7.219 0.452 1.00 0.00 C ATOM 304 CD1 PHE A 22 -1.882 -7.993 0.373 1.00 0.00 C ATOM 305 CD2 PHE A 22 -0.738 -6.150 1.292 1.00 0.00 C ATOM 306 CE1 PHE A 22 -3.017 -7.686 1.169 1.00 0.00 C ATOM 307 CE2 PHE A 22 -1.873 -5.843 2.088 1.00 0.00 C ATOM 308 CZ PHE A 22 -2.988 -6.617 2.010 1.00 0.00 C ATOM 0 H PHE A 22 2.537 -8.203 1.275 1.00 0.00 H new ATOM 0 HA PHE A 22 0.367 -9.709 -0.085 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.202 -6.765 -0.277 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.164 -7.542 -1.456 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.905 -8.841 -0.295 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.147 -5.535 1.354 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.903 -8.301 1.107 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.851 -4.994 2.756 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.851 -6.383 2.616 1.00 0.00 H new ATOM 318 N ILE A 23 1.787 -10.085 -2.063 1.00 0.00 N ATOM 319 CA ILE A 23 2.693 -10.478 -3.129 1.00 0.00 C ATOM 320 C ILE A 23 2.149 -9.975 -4.467 1.00 0.00 C ATOM 321 O ILE A 23 1.202 -10.543 -5.009 1.00 0.00 O ATOM 322 CB ILE A 23 2.939 -11.988 -3.094 1.00 0.00 C ATOM 323 CG1 ILE A 23 3.520 -12.418 -1.745 1.00 0.00 C ATOM 324 CG2 ILE A 23 3.820 -12.427 -4.264 1.00 0.00 C ATOM 325 CD1 ILE A 23 5.018 -12.117 -1.673 1.00 0.00 C ATOM 0 H ILE A 23 0.869 -10.529 -2.098 1.00 0.00 H new ATOM 0 HA ILE A 23 3.670 -10.016 -2.988 1.00 0.00 H new ATOM 0 HB ILE A 23 1.980 -12.493 -3.207 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.002 -11.898 -0.939 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.352 -13.485 -1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.979 -13.504 -4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.329 -12.175 -5.204 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.781 -11.915 -4.208 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.406 -12.432 -0.704 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.536 -12.658 -2.465 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.180 -11.046 -1.798 1.00 0.00 H new ATOM 337 N VAL A 24 2.770 -8.914 -4.961 1.00 0.00 N ATOM 338 CA VAL A 24 2.360 -8.327 -6.225 1.00 0.00 C ATOM 339 C VAL A 24 3.576 -8.211 -7.147 1.00 0.00 C ATOM 340 O VAL A 24 4.715 -8.295 -6.691 1.00 0.00 O ATOM 341 CB VAL A 24 1.666 -6.986 -5.979 1.00 0.00 C ATOM 342 CG1 VAL A 24 0.366 -7.177 -5.194 1.00 0.00 C ATOM 343 CG2 VAL A 24 2.600 -6.008 -5.263 1.00 0.00 C ATOM 0 H VAL A 24 3.555 -8.445 -4.508 1.00 0.00 H new ATOM 0 HA VAL A 24 1.633 -8.967 -6.725 1.00 0.00 H new ATOM 0 HB VAL A 24 1.412 -6.558 -6.949 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.107 -6.208 -5.033 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.309 -7.821 -5.758 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.587 -7.638 -4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.082 -5.063 -5.100 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.899 -6.428 -4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.485 -5.836 -5.875 1.00 0.00 H new ATOM 353 N GLY A 25 3.292 -8.019 -8.427 1.00 0.00 N ATOM 354 CA GLY A 25 4.348 -7.890 -9.416 1.00 0.00 C ATOM 355 C GLY A 25 5.082 -6.556 -9.264 1.00 0.00 C ATOM 356 O GLY A 25 4.469 -5.493 -9.350 1.00 0.00 O ATOM 0 H GLY A 25 2.346 -7.950 -8.802 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.055 -8.713 -9.308 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.924 -7.964 -10.417 1.00 0.00 H new ATOM 360 N ALA A 26 6.384 -6.656 -9.041 1.00 0.00 N ATOM 361 CA ALA A 26 7.208 -5.471 -8.876 1.00 0.00 C ATOM 362 C ALA A 26 6.771 -4.407 -9.884 1.00 0.00 C ATOM 363 O ALA A 26 6.534 -3.257 -9.515 1.00 0.00 O ATOM 364 CB ALA A 26 8.683 -5.849 -9.031 1.00 0.00 C ATOM 0 H ALA A 26 6.889 -7.540 -8.971 1.00 0.00 H new ATOM 0 HA ALA A 26 7.081 -5.052 -7.878 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.301 -4.960 -8.907 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.951 -6.586 -8.274 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.848 -6.271 -10.022 1.00 0.00 H new ATOM 370 N GLN A 27 6.676 -4.827 -11.137 1.00 0.00 N ATOM 371 CA GLN A 27 6.271 -3.924 -12.201 1.00 0.00 C ATOM 372 C GLN A 27 5.060 -3.098 -11.763 1.00 0.00 C ATOM 373 O GLN A 27 5.009 -1.892 -12.000 1.00 0.00 O ATOM 374 CB GLN A 27 5.974 -4.693 -13.489 1.00 0.00 C ATOM 375 CG GLN A 27 7.243 -5.340 -14.048 1.00 0.00 C ATOM 376 CD GLN A 27 7.661 -4.680 -15.363 1.00 0.00 C ATOM 377 OE1 GLN A 27 7.308 -5.116 -16.446 1.00 0.00 O ATOM 378 NE2 GLN A 27 8.432 -3.607 -15.209 1.00 0.00 N ATOM 0 H GLN A 27 6.873 -5.781 -11.439 1.00 0.00 H new ATOM 0 HA GLN A 27 7.096 -3.242 -12.407 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.226 -5.461 -13.293 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.550 -4.016 -14.231 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.050 -5.253 -13.321 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.072 -6.404 -14.209 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.691 -3.295 -14.273 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.764 -3.096 -16.027 1.00 0.00 H new ATOM 387 N MET A 28 4.115 -3.780 -11.133 1.00 0.00 N ATOM 388 CA MET A 28 2.908 -3.124 -10.660 1.00 0.00 C ATOM 389 C MET A 28 3.215 -1.718 -10.141 1.00 0.00 C ATOM 390 O MET A 28 4.317 -1.456 -9.661 1.00 0.00 O ATOM 391 CB MET A 28 2.280 -3.956 -9.540 1.00 0.00 C ATOM 392 CG MET A 28 0.960 -3.338 -9.072 1.00 0.00 C ATOM 393 SD MET A 28 0.252 -4.329 -7.767 1.00 0.00 S ATOM 394 CE MET A 28 -0.675 -5.505 -8.740 1.00 0.00 C ATOM 0 H MET A 28 4.161 -4.780 -10.939 1.00 0.00 H new ATOM 0 HA MET A 28 2.213 -3.039 -11.495 1.00 0.00 H new ATOM 0 HB2 MET A 28 2.105 -4.973 -9.892 1.00 0.00 H new ATOM 0 HB3 MET A 28 2.972 -4.024 -8.700 1.00 0.00 H new ATOM 0 HG2 MET A 28 1.130 -2.322 -8.717 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.264 -3.271 -9.908 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.184 -6.205 -8.077 1.00 0.00 H new ATOM 0 HE2 MET A 28 -1.412 -4.976 -9.344 1.00 0.00 H new ATOM 0 HE3 MET A 28 0.004 -6.053 -9.393 1.00 0.00 H new ATOM 404 N ASN A 29 2.221 -0.849 -10.255 1.00 0.00 N ATOM 405 CA ASN A 29 2.371 0.524 -9.804 1.00 0.00 C ATOM 406 C ASN A 29 1.645 0.699 -8.468 1.00 0.00 C ATOM 407 O ASN A 29 0.823 -0.134 -8.091 1.00 0.00 O ATOM 408 CB ASN A 29 1.759 1.503 -10.807 1.00 0.00 C ATOM 409 CG ASN A 29 0.425 0.978 -11.342 1.00 0.00 C ATOM 410 OD1 ASN A 29 0.273 -0.188 -11.666 1.00 0.00 O ATOM 411 ND2 ASN A 29 -0.529 1.902 -11.417 1.00 0.00 N ATOM 0 H ASN A 29 1.308 -1.070 -10.653 1.00 0.00 H new ATOM 0 HA ASN A 29 3.436 0.732 -9.702 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.608 2.471 -10.330 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.450 1.660 -11.635 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.455 1.652 -11.763 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.334 2.861 -11.129 1.00 0.00 H new ATOM 418 N VAL A 30 1.975 1.788 -7.790 1.00 0.00 N ATOM 419 CA VAL A 30 1.365 2.084 -6.505 1.00 0.00 C ATOM 420 C VAL A 30 -0.157 1.999 -6.637 1.00 0.00 C ATOM 421 O VAL A 30 -0.810 1.279 -5.883 1.00 0.00 O ATOM 422 CB VAL A 30 1.847 3.445 -5.998 1.00 0.00 C ATOM 423 CG1 VAL A 30 0.972 3.940 -4.844 1.00 0.00 C ATOM 424 CG2 VAL A 30 3.319 3.386 -5.584 1.00 0.00 C ATOM 0 H VAL A 30 2.658 2.477 -8.107 1.00 0.00 H new ATOM 0 HA VAL A 30 1.668 1.349 -5.759 1.00 0.00 H new ATOM 0 HB VAL A 30 1.758 4.159 -6.817 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.335 4.909 -4.502 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.059 4.039 -5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.015 3.225 -4.022 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.636 4.366 -5.228 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.444 2.652 -4.788 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.927 3.098 -6.442 1.00 0.00 H new ATOM 434 N LYS A 31 -0.678 2.745 -7.600 1.00 0.00 N ATOM 435 CA LYS A 31 -2.111 2.763 -7.840 1.00 0.00 C ATOM 436 C LYS A 31 -2.634 1.327 -7.887 1.00 0.00 C ATOM 437 O LYS A 31 -3.453 0.933 -7.057 1.00 0.00 O ATOM 438 CB LYS A 31 -2.434 3.577 -9.095 1.00 0.00 C ATOM 439 CG LYS A 31 -3.911 3.442 -9.471 1.00 0.00 C ATOM 440 CD LYS A 31 -4.451 4.752 -10.050 1.00 0.00 C ATOM 441 CE LYS A 31 -4.449 4.717 -11.579 1.00 0.00 C ATOM 442 NZ LYS A 31 -3.261 5.421 -12.112 1.00 0.00 N ATOM 0 H LYS A 31 -0.134 3.341 -8.223 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.628 3.264 -7.022 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.193 4.626 -8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.812 3.238 -9.923 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.033 2.641 -10.200 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.490 3.163 -8.591 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.465 4.923 -9.688 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.843 5.586 -9.701 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.452 3.683 -11.925 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.357 5.184 -11.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.275 5.388 -13.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.274 6.412 -11.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.398 4.958 -11.763 1.00 0.00 H new ATOM 456 N GLU A 32 -2.141 0.583 -8.866 1.00 0.00 N ATOM 457 CA GLU A 32 -2.548 -0.802 -9.032 1.00 0.00 C ATOM 458 C GLU A 32 -2.541 -1.523 -7.682 1.00 0.00 C ATOM 459 O GLU A 32 -3.562 -2.060 -7.256 1.00 0.00 O ATOM 460 CB GLU A 32 -1.651 -1.520 -10.042 1.00 0.00 C ATOM 461 CG GLU A 32 -2.124 -1.263 -11.474 1.00 0.00 C ATOM 462 CD GLU A 32 -1.353 -2.133 -12.470 1.00 0.00 C ATOM 463 OE1 GLU A 32 -1.355 -3.366 -12.267 1.00 0.00 O ATOM 464 OE2 GLU A 32 -0.779 -1.544 -13.412 1.00 0.00 O ATOM 0 H GLU A 32 -1.463 0.913 -9.553 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.565 -0.817 -9.424 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.622 -1.178 -9.928 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.655 -2.591 -9.840 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.191 -1.473 -11.552 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.987 -0.211 -11.723 1.00 0.00 H new ATOM 471 N PHE A 33 -1.377 -1.512 -7.048 1.00 0.00 N ATOM 472 CA PHE A 33 -1.224 -2.158 -5.756 1.00 0.00 C ATOM 473 C PHE A 33 -2.381 -1.799 -4.822 1.00 0.00 C ATOM 474 O PHE A 33 -2.864 -2.645 -4.071 1.00 0.00 O ATOM 475 CB PHE A 33 0.084 -1.643 -5.151 1.00 0.00 C ATOM 476 CG PHE A 33 0.466 -2.315 -3.830 1.00 0.00 C ATOM 477 CD1 PHE A 33 0.821 -3.628 -3.813 1.00 0.00 C ATOM 478 CD2 PHE A 33 0.450 -1.600 -2.674 1.00 0.00 C ATOM 479 CE1 PHE A 33 1.175 -4.251 -2.587 1.00 0.00 C ATOM 480 CE2 PHE A 33 0.805 -2.223 -1.448 1.00 0.00 C ATOM 481 CZ PHE A 33 1.160 -3.536 -1.431 1.00 0.00 C ATOM 0 H PHE A 33 -0.532 -1.066 -7.405 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.217 -3.241 -5.880 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.889 -1.794 -5.870 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.001 -0.568 -4.989 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.834 -4.196 -4.731 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.167 -0.558 -2.688 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.456 -5.294 -2.573 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.793 -1.655 -0.530 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.430 -4.010 -0.499 1.00 0.00 H new ATOM 491 N LYS A 34 -2.792 -0.541 -4.898 1.00 0.00 N ATOM 492 CA LYS A 34 -3.883 -0.059 -4.069 1.00 0.00 C ATOM 493 C LYS A 34 -5.174 -0.778 -4.463 1.00 0.00 C ATOM 494 O LYS A 34 -5.915 -1.249 -3.602 1.00 0.00 O ATOM 495 CB LYS A 34 -3.980 1.466 -4.145 1.00 0.00 C ATOM 496 CG LYS A 34 -2.663 2.121 -3.723 1.00 0.00 C ATOM 497 CD LYS A 34 -2.460 3.456 -4.442 1.00 0.00 C ATOM 498 CE LYS A 34 -2.079 4.560 -3.453 1.00 0.00 C ATOM 499 NZ LYS A 34 -3.130 5.600 -3.408 1.00 0.00 N ATOM 0 H LYS A 34 -2.389 0.159 -5.521 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.696 -0.292 -3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.231 1.768 -5.162 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.787 1.815 -3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.661 2.281 -2.645 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.832 1.453 -3.948 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.679 3.352 -5.195 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.374 3.733 -4.967 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.938 4.134 -2.460 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.129 5.007 -3.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.856 6.342 -2.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.245 6.018 -4.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.029 5.172 -3.107 1.00 0.00 H new ATOM 513 N GLU A 35 -5.405 -0.840 -5.767 1.00 0.00 N ATOM 514 CA GLU A 35 -6.594 -1.493 -6.286 1.00 0.00 C ATOM 515 C GLU A 35 -6.621 -2.963 -5.861 1.00 0.00 C ATOM 516 O GLU A 35 -7.688 -3.523 -5.619 1.00 0.00 O ATOM 517 CB GLU A 35 -6.671 -1.362 -7.808 1.00 0.00 C ATOM 518 CG GLU A 35 -6.623 0.107 -8.235 1.00 0.00 C ATOM 519 CD GLU A 35 -7.179 0.285 -9.650 1.00 0.00 C ATOM 520 OE1 GLU A 35 -6.647 -0.389 -10.558 1.00 0.00 O ATOM 521 OE2 GLU A 35 -8.123 1.092 -9.791 1.00 0.00 O ATOM 0 H GLU A 35 -4.788 -0.448 -6.479 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.469 -0.997 -5.866 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.844 -1.905 -8.266 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.592 -1.820 -8.170 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.199 0.712 -7.535 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.595 0.467 -8.196 1.00 0.00 H new ATOM 528 N HIS A 36 -5.433 -3.545 -5.782 1.00 0.00 N ATOM 529 CA HIS A 36 -5.307 -4.938 -5.390 1.00 0.00 C ATOM 530 C HIS A 36 -5.714 -5.098 -3.924 1.00 0.00 C ATOM 531 O HIS A 36 -6.678 -5.797 -3.617 1.00 0.00 O ATOM 532 CB HIS A 36 -3.895 -5.456 -5.673 1.00 0.00 C ATOM 533 CG HIS A 36 -3.686 -6.904 -5.297 1.00 0.00 C ATOM 534 ND1 HIS A 36 -4.412 -7.938 -5.862 1.00 0.00 N ATOM 535 CD2 HIS A 36 -2.824 -7.478 -4.409 1.00 0.00 C ATOM 536 CE1 HIS A 36 -3.999 -9.078 -5.330 1.00 0.00 C ATOM 537 NE2 HIS A 36 -3.015 -8.791 -4.429 1.00 0.00 N ATOM 0 H HIS A 36 -4.549 -3.077 -5.983 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.983 -5.550 -5.987 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.679 -5.332 -6.734 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -3.178 -4.842 -5.128 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.108 -6.953 -3.794 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.375 -10.062 -5.567 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.510 -9.473 -3.864 1.00 0.00 H new ATOM 545 N ILE A 37 -4.960 -4.437 -3.058 1.00 0.00 N ATOM 546 CA ILE A 37 -5.230 -4.497 -1.632 1.00 0.00 C ATOM 547 C ILE A 37 -6.620 -3.920 -1.356 1.00 0.00 C ATOM 548 O ILE A 37 -7.276 -4.306 -0.390 1.00 0.00 O ATOM 549 CB ILE A 37 -4.112 -3.810 -0.845 1.00 0.00 C ATOM 550 CG1 ILE A 37 -4.121 -2.299 -1.086 1.00 0.00 C ATOM 551 CG2 ILE A 37 -2.753 -4.433 -1.167 1.00 0.00 C ATOM 552 CD1 ILE A 37 -3.304 -1.569 -0.018 1.00 0.00 C ATOM 0 H ILE A 37 -4.162 -3.857 -3.317 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.240 -5.532 -1.290 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.295 -3.968 0.218 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.712 -2.082 -2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.147 -1.932 -1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.976 -3.927 -0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.766 -5.491 -0.904 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.547 -4.326 -2.232 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.327 -0.497 -0.212 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.730 -1.769 0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.273 -1.921 -0.045 1.00 0.00 H new ATOM 564 N ALA A 38 -7.029 -3.005 -2.223 1.00 0.00 N ATOM 565 CA ALA A 38 -8.329 -2.371 -2.085 1.00 0.00 C ATOM 566 C ALA A 38 -9.361 -3.420 -1.665 1.00 0.00 C ATOM 567 O ALA A 38 -10.252 -3.133 -0.867 1.00 0.00 O ATOM 568 CB ALA A 38 -8.702 -1.680 -3.398 1.00 0.00 C ATOM 0 H ALA A 38 -6.483 -2.688 -3.024 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.302 -1.605 -1.310 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.677 -1.204 -3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.953 -0.925 -3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.741 -2.418 -4.199 1.00 0.00 H new ATOM 574 N ALA A 39 -9.205 -4.613 -2.219 1.00 0.00 N ATOM 575 CA ALA A 39 -10.112 -5.706 -1.912 1.00 0.00 C ATOM 576 C ALA A 39 -9.990 -6.061 -0.429 1.00 0.00 C ATOM 577 O ALA A 39 -10.951 -5.924 0.327 1.00 0.00 O ATOM 578 CB ALA A 39 -9.806 -6.895 -2.824 1.00 0.00 C ATOM 0 H ALA A 39 -8.464 -4.847 -2.879 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.145 -5.412 -2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.486 -7.715 -2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.935 -6.598 -3.865 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.778 -7.221 -2.664 1.00 0.00 H new ATOM 584 N SER A 40 -8.801 -6.511 -0.056 1.00 0.00 N ATOM 585 CA SER A 40 -8.541 -6.887 1.323 1.00 0.00 C ATOM 586 C SER A 40 -8.809 -5.699 2.249 1.00 0.00 C ATOM 587 O SER A 40 -9.683 -5.765 3.112 1.00 0.00 O ATOM 588 CB SER A 40 -7.104 -7.383 1.497 1.00 0.00 C ATOM 589 OG SER A 40 -6.959 -8.746 1.110 1.00 0.00 O ATOM 0 H SER A 40 -8.006 -6.624 -0.686 1.00 0.00 H new ATOM 0 HA SER A 40 -9.213 -7.704 1.587 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.432 -6.764 0.902 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.805 -7.268 2.539 1.00 0.00 H new ATOM 0 HG SER A 40 -6.028 -9.024 1.234 1.00 0.00 H new ATOM 595 N VAL A 41 -8.040 -4.641 2.038 1.00 0.00 N ATOM 596 CA VAL A 41 -8.184 -3.439 2.843 1.00 0.00 C ATOM 597 C VAL A 41 -9.636 -2.960 2.782 1.00 0.00 C ATOM 598 O VAL A 41 -10.138 -2.367 3.735 1.00 0.00 O ATOM 599 CB VAL A 41 -7.184 -2.378 2.382 1.00 0.00 C ATOM 600 CG1 VAL A 41 -5.748 -2.896 2.484 1.00 0.00 C ATOM 601 CG2 VAL A 41 -7.498 -1.909 0.960 1.00 0.00 C ATOM 0 H VAL A 41 -7.316 -4.591 1.322 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.955 -3.649 3.888 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.278 -1.519 3.046 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.057 -2.122 2.150 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.528 -3.157 3.519 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.634 -3.779 1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.772 -1.155 0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.446 -2.757 0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.500 -1.480 0.931 1.00 0.00 H new ATOM 611 N SER A 42 -10.269 -3.235 1.651 1.00 0.00 N ATOM 612 CA SER A 42 -11.653 -2.839 1.453 1.00 0.00 C ATOM 613 C SER A 42 -11.752 -1.315 1.355 1.00 0.00 C ATOM 614 O SER A 42 -12.826 -0.746 1.544 1.00 0.00 O ATOM 615 CB SER A 42 -12.541 -3.357 2.585 1.00 0.00 C ATOM 616 OG SER A 42 -13.704 -4.016 2.092 1.00 0.00 O ATOM 0 H SER A 42 -9.849 -3.727 0.862 1.00 0.00 H new ATOM 0 HA SER A 42 -12.005 -3.280 0.521 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.970 -4.046 3.207 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.839 -2.524 3.222 1.00 0.00 H new ATOM 0 HG SER A 42 -14.244 -4.334 2.845 1.00 0.00 H new ATOM 622 N ILE A 43 -10.618 -0.698 1.059 1.00 0.00 N ATOM 623 CA ILE A 43 -10.564 0.749 0.933 1.00 0.00 C ATOM 624 C ILE A 43 -10.235 1.119 -0.515 1.00 0.00 C ATOM 625 O ILE A 43 -9.441 0.443 -1.167 1.00 0.00 O ATOM 626 CB ILE A 43 -9.590 1.339 1.955 1.00 0.00 C ATOM 627 CG1 ILE A 43 -10.051 1.047 3.384 1.00 0.00 C ATOM 628 CG2 ILE A 43 -9.383 2.836 1.714 1.00 0.00 C ATOM 629 CD1 ILE A 43 -8.980 1.453 4.399 1.00 0.00 C ATOM 0 H ILE A 43 -9.729 -1.173 0.903 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.535 1.188 1.161 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.622 0.855 1.824 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.975 1.587 3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.272 -0.015 3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.687 3.231 2.454 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.977 2.991 0.714 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.338 3.354 1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.333 1.235 5.407 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.065 0.893 4.206 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.779 2.520 4.308 1.00 0.00 H new ATOM 641 N PRO A 44 -10.880 2.219 -0.987 1.00 0.00 N ATOM 642 CA PRO A 44 -10.665 2.687 -2.346 1.00 0.00 C ATOM 643 C PRO A 44 -9.308 3.383 -2.477 1.00 0.00 C ATOM 644 O PRO A 44 -8.873 4.080 -1.563 1.00 0.00 O ATOM 645 CB PRO A 44 -11.836 3.611 -2.634 1.00 0.00 C ATOM 646 CG PRO A 44 -12.411 3.991 -1.279 1.00 0.00 C ATOM 647 CD PRO A 44 -11.828 3.044 -0.243 1.00 0.00 C ATOM 0 HA PRO A 44 -10.630 1.874 -3.071 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.510 4.495 -3.182 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.584 3.112 -3.250 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.162 5.024 -1.035 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.499 3.920 -1.292 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.333 3.591 0.559 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -12.605 2.435 0.219 1.00 0.00 H new ATOM 655 N SER A 45 -8.678 3.169 -3.623 1.00 0.00 N ATOM 656 CA SER A 45 -7.380 3.767 -3.886 1.00 0.00 C ATOM 657 C SER A 45 -7.467 5.288 -3.747 1.00 0.00 C ATOM 658 O SER A 45 -6.451 5.957 -3.567 1.00 0.00 O ATOM 659 CB SER A 45 -6.872 3.389 -5.279 1.00 0.00 C ATOM 660 OG SER A 45 -7.469 4.185 -6.299 1.00 0.00 O ATOM 0 H SER A 45 -9.042 2.590 -4.380 1.00 0.00 H new ATOM 0 HA SER A 45 -6.671 3.382 -3.153 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.789 3.507 -5.314 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.084 2.337 -5.469 1.00 0.00 H new ATOM 0 HG SER A 45 -7.118 3.914 -7.173 1.00 0.00 H new ATOM 666 N GLU A 46 -8.690 5.789 -3.836 1.00 0.00 N ATOM 667 CA GLU A 46 -8.922 7.219 -3.722 1.00 0.00 C ATOM 668 C GLU A 46 -8.819 7.659 -2.261 1.00 0.00 C ATOM 669 O GLU A 46 -8.436 8.792 -1.975 1.00 0.00 O ATOM 670 CB GLU A 46 -10.279 7.603 -4.316 1.00 0.00 C ATOM 671 CG GLU A 46 -10.732 8.974 -3.809 1.00 0.00 C ATOM 672 CD GLU A 46 -11.622 9.672 -4.839 1.00 0.00 C ATOM 673 OE1 GLU A 46 -12.565 9.006 -5.318 1.00 0.00 O ATOM 674 OE2 GLU A 46 -11.341 10.857 -5.122 1.00 0.00 O ATOM 0 H GLU A 46 -9.530 5.231 -3.986 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.152 7.739 -4.292 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.213 7.617 -5.404 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.022 6.850 -4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.276 8.858 -2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.861 9.593 -3.597 1.00 0.00 H new ATOM 681 N LYS A 47 -9.169 6.739 -1.373 1.00 0.00 N ATOM 682 CA LYS A 47 -9.121 7.018 0.052 1.00 0.00 C ATOM 683 C LYS A 47 -7.785 6.532 0.618 1.00 0.00 C ATOM 684 O LYS A 47 -7.400 6.911 1.723 1.00 0.00 O ATOM 685 CB LYS A 47 -10.341 6.421 0.757 1.00 0.00 C ATOM 686 CG LYS A 47 -11.602 7.232 0.451 1.00 0.00 C ATOM 687 CD LYS A 47 -12.839 6.573 1.063 1.00 0.00 C ATOM 688 CE LYS A 47 -13.337 7.361 2.276 1.00 0.00 C ATOM 689 NZ LYS A 47 -14.655 7.971 1.993 1.00 0.00 N ATOM 0 H LYS A 47 -9.487 5.800 -1.613 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.172 8.092 0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.482 5.389 0.437 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.170 6.400 1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.493 8.243 0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.729 7.321 -0.628 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.630 6.511 0.315 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.601 5.552 1.361 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.413 6.700 3.140 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.617 8.139 2.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.978 8.502 2.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.572 8.617 1.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.343 7.223 1.771 1.00 0.00 H new ATOM 703 N GLN A 48 -7.115 5.699 -0.166 1.00 0.00 N ATOM 704 CA GLN A 48 -5.831 5.157 0.243 1.00 0.00 C ATOM 705 C GLN A 48 -4.721 6.183 0.006 1.00 0.00 C ATOM 706 O GLN A 48 -4.941 7.199 -0.652 1.00 0.00 O ATOM 707 CB GLN A 48 -5.531 3.847 -0.488 1.00 0.00 C ATOM 708 CG GLN A 48 -6.451 2.725 -0.002 1.00 0.00 C ATOM 709 CD GLN A 48 -5.873 1.352 -0.350 1.00 0.00 C ATOM 710 OE1 GLN A 48 -4.857 0.926 0.174 1.00 0.00 O ATOM 711 NE2 GLN A 48 -6.575 0.685 -1.262 1.00 0.00 N ATOM 0 H GLN A 48 -7.438 5.387 -1.082 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.875 4.938 1.310 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.659 3.988 -1.561 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.491 3.565 -0.325 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.587 2.803 1.077 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.436 2.835 -0.457 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.417 1.100 -1.661 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.271 -0.241 -1.562 1.00 0.00 H new ATOM 720 N ARG A 49 -3.553 5.883 0.555 1.00 0.00 N ATOM 721 CA ARG A 49 -2.409 6.767 0.411 1.00 0.00 C ATOM 722 C ARG A 49 -1.187 6.171 1.113 1.00 0.00 C ATOM 723 O ARG A 49 -0.814 6.613 2.199 1.00 0.00 O ATOM 724 CB ARG A 49 -2.704 8.148 0.998 1.00 0.00 C ATOM 725 CG ARG A 49 -1.493 9.074 0.856 1.00 0.00 C ATOM 726 CD ARG A 49 -1.699 10.370 1.642 1.00 0.00 C ATOM 727 NE ARG A 49 -1.962 11.490 0.711 1.00 0.00 N ATOM 728 CZ ARG A 49 -3.175 11.800 0.232 1.00 0.00 C ATOM 729 NH1 ARG A 49 -4.243 11.076 0.594 1.00 0.00 N ATOM 730 NH2 ARG A 49 -3.319 12.834 -0.608 1.00 0.00 N ATOM 0 H ARG A 49 -3.374 5.040 1.100 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.204 6.874 -0.654 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.563 8.587 0.491 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.970 8.051 2.050 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.598 8.566 1.214 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.329 9.305 -0.197 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.534 10.257 2.333 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.815 10.585 2.243 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.171 12.062 0.415 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.133 10.289 1.234 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.166 11.312 0.230 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.506 13.385 -0.883 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.242 13.070 -0.973 1.00 0.00 H new ATOM 744 N LEU A 50 -0.597 5.178 0.464 1.00 0.00 N ATOM 745 CA LEU A 50 0.575 4.518 1.013 1.00 0.00 C ATOM 746 C LEU A 50 1.653 5.563 1.306 1.00 0.00 C ATOM 747 O LEU A 50 1.868 6.478 0.513 1.00 0.00 O ATOM 748 CB LEU A 50 1.043 3.396 0.083 1.00 0.00 C ATOM 749 CG LEU A 50 -0.012 2.354 -0.294 1.00 0.00 C ATOM 750 CD1 LEU A 50 0.468 1.484 -1.457 1.00 0.00 C ATOM 751 CD2 LEU A 50 -0.413 1.516 0.922 1.00 0.00 C ATOM 0 H LEU A 50 -0.909 4.815 -0.437 1.00 0.00 H new ATOM 0 HA LEU A 50 0.332 4.036 1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.424 3.846 -0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.879 2.882 0.558 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.905 2.879 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.300 0.752 -1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.664 2.113 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.383 0.966 -1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.164 0.783 0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.464 1.000 1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.825 2.167 1.693 1.00 0.00 H new ATOM 763 N ILE A 51 2.303 5.392 2.448 1.00 0.00 N ATOM 764 CA ILE A 51 3.354 6.309 2.856 1.00 0.00 C ATOM 765 C ILE A 51 4.517 5.513 3.452 1.00 0.00 C ATOM 766 O ILE A 51 4.322 4.714 4.367 1.00 0.00 O ATOM 767 CB ILE A 51 2.796 7.379 3.795 1.00 0.00 C ATOM 768 CG1 ILE A 51 1.793 8.278 3.069 1.00 0.00 C ATOM 769 CG2 ILE A 51 3.925 8.185 4.441 1.00 0.00 C ATOM 770 CD1 ILE A 51 0.810 8.913 4.055 1.00 0.00 C ATOM 0 H ILE A 51 2.122 4.632 3.104 1.00 0.00 H new ATOM 0 HA ILE A 51 3.746 6.848 1.993 1.00 0.00 H new ATOM 0 HB ILE A 51 2.256 6.879 4.599 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.326 9.060 2.527 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.245 7.694 2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.501 8.939 5.104 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.567 7.517 5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.513 8.674 3.665 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.109 9.547 3.512 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.261 8.129 4.578 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.359 9.516 4.779 1.00 0.00 H new ATOM 782 N TYR A 52 5.700 5.758 2.909 1.00 0.00 N ATOM 783 CA TYR A 52 6.894 5.075 3.376 1.00 0.00 C ATOM 784 C TYR A 52 7.836 6.044 4.093 1.00 0.00 C ATOM 785 O TYR A 52 8.263 7.042 3.515 1.00 0.00 O ATOM 786 CB TYR A 52 7.590 4.538 2.123 1.00 0.00 C ATOM 787 CG TYR A 52 8.940 3.873 2.398 1.00 0.00 C ATOM 788 CD1 TYR A 52 8.986 2.592 2.911 1.00 0.00 C ATOM 789 CD2 TYR A 52 10.111 4.553 2.133 1.00 0.00 C ATOM 790 CE1 TYR A 52 10.257 1.966 3.169 1.00 0.00 C ATOM 791 CE2 TYR A 52 11.382 3.926 2.392 1.00 0.00 C ATOM 792 CZ TYR A 52 11.392 2.664 2.897 1.00 0.00 C ATOM 793 OH TYR A 52 12.592 2.072 3.142 1.00 0.00 O ATOM 0 H TYR A 52 5.857 6.420 2.150 1.00 0.00 H new ATOM 0 HA TYR A 52 6.633 4.285 4.080 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.934 3.817 1.636 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.737 5.359 1.421 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.069 2.060 3.119 1.00 0.00 H new ATOM 0 HD2 TYR A 52 10.075 5.555 1.732 1.00 0.00 H new ATOM 0 HE1 TYR A 52 10.308 0.964 3.570 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.306 4.447 2.189 1.00 0.00 H new ATOM 0 HH TYR A 52 13.316 2.687 2.899 1.00 0.00 H new ATOM 803 N GLN A 53 8.132 5.716 5.342 1.00 0.00 N ATOM 804 CA GLN A 53 9.016 6.545 6.144 1.00 0.00 C ATOM 805 C GLN A 53 8.347 7.885 6.457 1.00 0.00 C ATOM 806 O GLN A 53 8.035 8.171 7.612 1.00 0.00 O ATOM 807 CB GLN A 53 10.359 6.754 5.441 1.00 0.00 C ATOM 808 CG GLN A 53 11.050 5.416 5.170 1.00 0.00 C ATOM 809 CD GLN A 53 12.484 5.629 4.680 1.00 0.00 C ATOM 810 OE1 GLN A 53 12.729 6.125 3.593 1.00 0.00 O ATOM 811 NE2 GLN A 53 13.415 5.226 5.541 1.00 0.00 N ATOM 0 H GLN A 53 7.775 4.888 5.818 1.00 0.00 H new ATOM 0 HA GLN A 53 9.212 6.030 7.084 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.203 7.284 4.501 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.003 7.381 6.058 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.058 4.816 6.080 1.00 0.00 H new ATOM 0 HG3 GLN A 53 10.486 4.856 4.424 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.141 4.819 6.435 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.403 5.324 5.307 1.00 0.00 H new ATOM 820 N GLY A 54 8.147 8.670 5.409 1.00 0.00 N ATOM 821 CA GLY A 54 7.521 9.972 5.558 1.00 0.00 C ATOM 822 C GLY A 54 7.252 10.611 4.194 1.00 0.00 C ATOM 823 O GLY A 54 7.305 11.832 4.055 1.00 0.00 O ATOM 0 H GLY A 54 8.408 8.429 4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.584 9.868 6.106 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.165 10.624 6.148 1.00 0.00 H new ATOM 827 N ARG A 55 6.969 9.756 3.222 1.00 0.00 N ATOM 828 CA ARG A 55 6.692 10.222 1.873 1.00 0.00 C ATOM 829 C ARG A 55 5.499 9.465 1.286 1.00 0.00 C ATOM 830 O ARG A 55 5.403 8.247 1.425 1.00 0.00 O ATOM 831 CB ARG A 55 7.907 10.030 0.964 1.00 0.00 C ATOM 832 CG ARG A 55 8.684 11.339 0.803 1.00 0.00 C ATOM 833 CD ARG A 55 9.664 11.254 -0.368 1.00 0.00 C ATOM 834 NE ARG A 55 11.048 11.122 0.139 1.00 0.00 N ATOM 835 CZ ARG A 55 11.807 12.156 0.529 1.00 0.00 C ATOM 836 NH1 ARG A 55 11.321 13.403 0.473 1.00 0.00 N ATOM 837 NH2 ARG A 55 13.052 11.941 0.976 1.00 0.00 N ATOM 0 H ARG A 55 6.925 8.744 3.341 1.00 0.00 H new ATOM 0 HA ARG A 55 6.460 11.286 1.930 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.561 9.264 1.381 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.582 9.673 -0.013 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.988 12.162 0.640 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.228 11.559 1.722 1.00 0.00 H new ATOM 0 HD2 ARG A 55 9.416 10.401 -0.999 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.579 12.145 -0.990 1.00 0.00 H new ATOM 0 HE ARG A 55 11.449 10.186 0.195 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.373 13.566 0.134 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.899 14.189 0.770 1.00 0.00 H new ATOM 0 HH21 ARG A 55 13.421 10.991 1.019 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.630 12.727 1.273 1.00 0.00 H new ATOM 851 N VAL A 56 4.621 10.218 0.641 1.00 0.00 N ATOM 852 CA VAL A 56 3.438 9.634 0.031 1.00 0.00 C ATOM 853 C VAL A 56 3.816 9.019 -1.317 1.00 0.00 C ATOM 854 O VAL A 56 4.150 9.736 -2.259 1.00 0.00 O ATOM 855 CB VAL A 56 2.333 10.686 -0.080 1.00 0.00 C ATOM 856 CG1 VAL A 56 1.201 10.198 -0.988 1.00 0.00 C ATOM 857 CG2 VAL A 56 1.800 11.071 1.301 1.00 0.00 C ATOM 0 H VAL A 56 4.705 11.228 0.527 1.00 0.00 H new ATOM 0 HA VAL A 56 3.043 8.832 0.655 1.00 0.00 H new ATOM 0 HB VAL A 56 2.765 11.579 -0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.428 10.964 -1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.595 9.998 -1.985 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.773 9.284 -0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.016 11.820 1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.393 10.188 1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.611 11.480 1.903 1.00 0.00 H new ATOM 867 N LEU A 57 3.751 7.696 -1.368 1.00 0.00 N ATOM 868 CA LEU A 57 4.082 6.976 -2.585 1.00 0.00 C ATOM 869 C LEU A 57 3.164 7.445 -3.716 1.00 0.00 C ATOM 870 O LEU A 57 1.942 7.420 -3.579 1.00 0.00 O ATOM 871 CB LEU A 57 4.037 5.466 -2.344 1.00 0.00 C ATOM 872 CG LEU A 57 4.874 4.949 -1.172 1.00 0.00 C ATOM 873 CD1 LEU A 57 4.192 3.760 -0.493 1.00 0.00 C ATOM 874 CD2 LEU A 57 6.298 4.615 -1.620 1.00 0.00 C ATOM 0 H LEU A 57 3.474 7.104 -0.585 1.00 0.00 H new ATOM 0 HA LEU A 57 5.105 7.196 -2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.999 5.175 -2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.370 4.963 -3.252 1.00 0.00 H new ATOM 0 HG LEU A 57 4.949 5.743 -0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.808 3.412 0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.216 4.067 -0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.065 2.953 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.871 4.250 -0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.266 3.846 -2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.773 5.511 -2.020 1.00 0.00 H new ATOM 886 N GLN A 58 3.788 7.863 -4.807 1.00 0.00 N ATOM 887 CA GLN A 58 3.043 8.337 -5.961 1.00 0.00 C ATOM 888 C GLN A 58 2.325 7.171 -6.645 1.00 0.00 C ATOM 889 O GLN A 58 2.845 6.058 -6.690 1.00 0.00 O ATOM 890 CB GLN A 58 3.959 9.068 -6.943 1.00 0.00 C ATOM 891 CG GLN A 58 3.400 10.449 -7.291 1.00 0.00 C ATOM 892 CD GLN A 58 1.976 10.341 -7.842 1.00 0.00 C ATOM 893 OE1 GLN A 58 1.755 10.118 -9.021 1.00 0.00 O ATOM 894 NE2 GLN A 58 1.027 10.510 -6.926 1.00 0.00 N ATOM 0 H GLN A 58 4.802 7.883 -4.916 1.00 0.00 H new ATOM 0 HA GLN A 58 2.293 9.049 -5.617 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.953 9.173 -6.509 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.069 8.477 -7.852 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.403 11.081 -6.403 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.043 10.931 -8.027 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.282 10.694 -5.956 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.044 10.456 -7.194 1.00 0.00 H new ATOM 903 N ASP A 59 1.141 7.468 -7.160 1.00 0.00 N ATOM 904 CA ASP A 59 0.346 6.458 -7.839 1.00 0.00 C ATOM 905 C ASP A 59 1.109 5.956 -9.067 1.00 0.00 C ATOM 906 O ASP A 59 1.345 4.757 -9.208 1.00 0.00 O ATOM 907 CB ASP A 59 -0.988 7.036 -8.315 1.00 0.00 C ATOM 908 CG ASP A 59 -0.934 8.495 -8.773 1.00 0.00 C ATOM 909 OD1 ASP A 59 -0.631 8.704 -9.967 1.00 0.00 O ATOM 910 OD2 ASP A 59 -1.198 9.368 -7.919 1.00 0.00 O ATOM 0 H ASP A 59 0.713 8.393 -7.121 1.00 0.00 H new ATOM 0 HA ASP A 59 0.157 5.647 -7.135 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.358 6.426 -9.139 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.713 6.952 -7.505 1.00 0.00 H new ATOM 915 N ASP A 60 1.474 6.899 -9.924 1.00 0.00 N ATOM 916 CA ASP A 60 2.205 6.567 -11.135 1.00 0.00 C ATOM 917 C ASP A 60 3.467 5.785 -10.765 1.00 0.00 C ATOM 918 O ASP A 60 3.942 4.961 -11.546 1.00 0.00 O ATOM 919 CB ASP A 60 2.634 7.831 -11.883 1.00 0.00 C ATOM 920 CG ASP A 60 2.489 7.763 -13.404 1.00 0.00 C ATOM 921 OD1 ASP A 60 1.347 7.958 -13.874 1.00 0.00 O ATOM 922 OD2 ASP A 60 3.522 7.516 -14.063 1.00 0.00 O ATOM 0 H ASP A 60 1.277 7.893 -9.803 1.00 0.00 H new ATOM 0 HA ASP A 60 1.549 5.975 -11.774 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.045 8.671 -11.514 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.676 8.042 -11.642 1.00 0.00 H new ATOM 927 N LYS A 61 3.974 6.070 -9.575 1.00 0.00 N ATOM 928 CA LYS A 61 5.171 5.403 -9.092 1.00 0.00 C ATOM 929 C LYS A 61 4.863 3.925 -8.847 1.00 0.00 C ATOM 930 O LYS A 61 3.700 3.536 -8.760 1.00 0.00 O ATOM 931 CB LYS A 61 5.730 6.127 -7.865 1.00 0.00 C ATOM 932 CG LYS A 61 6.905 7.029 -8.248 1.00 0.00 C ATOM 933 CD LYS A 61 8.241 6.338 -7.969 1.00 0.00 C ATOM 934 CE LYS A 61 9.349 7.365 -7.729 1.00 0.00 C ATOM 935 NZ LYS A 61 10.157 7.553 -8.955 1.00 0.00 N ATOM 0 H LYS A 61 3.578 6.754 -8.931 1.00 0.00 H new ATOM 0 HA LYS A 61 5.959 5.444 -9.844 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.945 6.724 -7.402 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.054 5.397 -7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.839 7.288 -9.305 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.850 7.962 -7.687 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.145 5.691 -7.097 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.508 5.700 -8.812 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.912 8.316 -7.425 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.989 7.033 -6.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.135 7.790 -8.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.151 6.675 -9.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.753 8.326 -9.522 1.00 0.00 H new ATOM 949 N LYS A 62 5.927 3.141 -8.742 1.00 0.00 N ATOM 950 CA LYS A 62 5.784 1.714 -8.508 1.00 0.00 C ATOM 951 C LYS A 62 6.441 1.352 -7.175 1.00 0.00 C ATOM 952 O LYS A 62 7.326 2.063 -6.701 1.00 0.00 O ATOM 953 CB LYS A 62 6.328 0.920 -9.697 1.00 0.00 C ATOM 954 CG LYS A 62 5.726 1.420 -11.012 1.00 0.00 C ATOM 955 CD LYS A 62 6.674 1.157 -12.184 1.00 0.00 C ATOM 956 CE LYS A 62 5.903 1.063 -13.502 1.00 0.00 C ATOM 957 NZ LYS A 62 6.783 1.402 -14.643 1.00 0.00 N ATOM 0 H LYS A 62 6.891 3.467 -8.815 1.00 0.00 H new ATOM 0 HA LYS A 62 4.731 1.444 -8.428 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.414 1.010 -9.733 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.100 -0.138 -9.567 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.773 0.923 -11.192 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.520 2.488 -10.939 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.412 1.957 -12.246 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.222 0.231 -12.012 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.507 0.055 -13.627 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.049 1.740 -13.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.244 1.333 -15.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.140 2.372 -14.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.584 0.739 -14.673 1.00 0.00 H new ATOM 971 N LEU A 63 5.982 0.246 -6.607 1.00 0.00 N ATOM 972 CA LEU A 63 6.514 -0.219 -5.337 1.00 0.00 C ATOM 973 C LEU A 63 8.018 -0.462 -5.477 1.00 0.00 C ATOM 974 O LEU A 63 8.818 0.142 -4.763 1.00 0.00 O ATOM 975 CB LEU A 63 5.737 -1.441 -4.846 1.00 0.00 C ATOM 976 CG LEU A 63 4.250 -1.479 -5.204 1.00 0.00 C ATOM 977 CD1 LEU A 63 3.663 -0.067 -5.258 1.00 0.00 C ATOM 978 CD2 LEU A 63 4.019 -2.246 -6.508 1.00 0.00 C ATOM 0 H LEU A 63 5.248 -0.341 -7.003 1.00 0.00 H new ATOM 0 HA LEU A 63 6.384 0.543 -4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.211 -2.335 -5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.831 -1.495 -3.761 1.00 0.00 H new ATOM 0 HG LEU A 63 3.723 -2.017 -4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.605 -0.122 -5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.776 0.411 -4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.189 0.517 -6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.954 -2.258 -6.739 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.561 -1.758 -7.318 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.378 -3.269 -6.397 1.00 0.00 H new ATOM 990 N GLN A 64 8.358 -1.347 -6.403 1.00 0.00 N ATOM 991 CA GLN A 64 9.752 -1.677 -6.646 1.00 0.00 C ATOM 992 C GLN A 64 10.602 -0.405 -6.674 1.00 0.00 C ATOM 993 O GLN A 64 11.704 -0.379 -6.128 1.00 0.00 O ATOM 994 CB GLN A 64 9.909 -2.470 -7.945 1.00 0.00 C ATOM 995 CG GLN A 64 11.308 -3.081 -8.049 1.00 0.00 C ATOM 996 CD GLN A 64 11.581 -3.588 -9.467 1.00 0.00 C ATOM 997 OE1 GLN A 64 10.912 -3.229 -10.421 1.00 0.00 O ATOM 998 NE2 GLN A 64 12.599 -4.440 -9.550 1.00 0.00 N ATOM 0 H GLN A 64 7.692 -1.845 -6.994 1.00 0.00 H new ATOM 0 HA GLN A 64 10.104 -2.307 -5.829 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.159 -3.260 -7.986 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.730 -1.816 -8.798 1.00 0.00 H new ATOM 0 HG2 GLN A 64 12.055 -2.336 -7.775 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.403 -3.904 -7.340 1.00 0.00 H new ATOM 0 HE21 GLN A 64 13.118 -4.698 -8.711 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.861 -4.835 -10.453 1.00 0.00 H new ATOM 1007 N GLU A 65 10.058 0.618 -7.314 1.00 0.00 N ATOM 1008 CA GLU A 65 10.752 1.890 -7.420 1.00 0.00 C ATOM 1009 C GLU A 65 11.215 2.358 -6.039 1.00 0.00 C ATOM 1010 O GLU A 65 12.376 2.723 -5.861 1.00 0.00 O ATOM 1011 CB GLU A 65 9.867 2.944 -8.088 1.00 0.00 C ATOM 1012 CG GLU A 65 10.413 3.326 -9.466 1.00 0.00 C ATOM 1013 CD GLU A 65 11.294 4.574 -9.379 1.00 0.00 C ATOM 1014 OE1 GLU A 65 12.176 4.586 -8.494 1.00 0.00 O ATOM 1015 OE2 GLU A 65 11.066 5.488 -10.201 1.00 0.00 O ATOM 0 H GLU A 65 9.144 0.592 -7.765 1.00 0.00 H new ATOM 0 HA GLU A 65 11.631 1.751 -8.049 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.852 2.560 -8.189 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.812 3.831 -7.456 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.990 2.497 -9.875 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.585 3.508 -10.152 1.00 0.00 H new ATOM 1022 N TYR A 66 10.284 2.333 -5.098 1.00 0.00 N ATOM 1023 CA TYR A 66 10.582 2.750 -3.738 1.00 0.00 C ATOM 1024 C TYR A 66 11.350 1.661 -2.986 1.00 0.00 C ATOM 1025 O TYR A 66 11.881 1.906 -1.904 1.00 0.00 O ATOM 1026 CB TYR A 66 9.229 2.966 -3.057 1.00 0.00 C ATOM 1027 CG TYR A 66 8.486 4.217 -3.531 1.00 0.00 C ATOM 1028 CD1 TYR A 66 9.015 5.468 -3.286 1.00 0.00 C ATOM 1029 CD2 TYR A 66 7.288 4.094 -4.204 1.00 0.00 C ATOM 1030 CE1 TYR A 66 8.316 6.645 -3.732 1.00 0.00 C ATOM 1031 CE2 TYR A 66 6.589 5.272 -4.651 1.00 0.00 C ATOM 1032 CZ TYR A 66 7.137 6.489 -4.393 1.00 0.00 C ATOM 1033 OH TYR A 66 6.477 7.601 -4.814 1.00 0.00 O ATOM 0 H TYR A 66 9.322 2.030 -5.250 1.00 0.00 H new ATOM 0 HA TYR A 66 11.198 3.649 -3.739 1.00 0.00 H new ATOM 0 HB2 TYR A 66 8.601 2.093 -3.235 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.383 3.033 -1.980 1.00 0.00 H new ATOM 0 HD1 TYR A 66 9.953 5.564 -2.760 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.874 3.115 -4.396 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.719 7.630 -3.546 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.651 5.190 -5.179 1.00 0.00 H new ATOM 0 HH TYR A 66 7.046 8.105 -5.433 1.00 0.00 H new ATOM 1043 N ASN A 67 11.384 0.482 -3.590 1.00 0.00 N ATOM 1044 CA ASN A 67 12.078 -0.645 -2.991 1.00 0.00 C ATOM 1045 C ASN A 67 11.391 -1.022 -1.677 1.00 0.00 C ATOM 1046 O ASN A 67 12.044 -1.131 -0.640 1.00 0.00 O ATOM 1047 CB ASN A 67 13.534 -0.293 -2.679 1.00 0.00 C ATOM 1048 CG ASN A 67 14.465 -0.771 -3.795 1.00 0.00 C ATOM 1049 OD1 ASN A 67 14.433 -0.287 -4.915 1.00 0.00 O ATOM 1050 ND2 ASN A 67 15.293 -1.745 -3.429 1.00 0.00 N ATOM 0 H ASN A 67 10.942 0.283 -4.488 1.00 0.00 H new ATOM 0 HA ASN A 67 12.051 -1.473 -3.700 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.633 0.785 -2.555 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.828 -0.750 -1.734 1.00 0.00 H new ATOM 0 HD21 ASN A 67 15.954 -2.133 -4.102 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.267 -2.105 -2.475 1.00 0.00 H new ATOM 1057 N VAL A 68 10.082 -1.209 -1.763 1.00 0.00 N ATOM 1058 CA VAL A 68 9.300 -1.571 -0.593 1.00 0.00 C ATOM 1059 C VAL A 68 9.099 -3.088 -0.569 1.00 0.00 C ATOM 1060 O VAL A 68 8.130 -3.580 0.008 1.00 0.00 O ATOM 1061 CB VAL A 68 7.982 -0.794 -0.584 1.00 0.00 C ATOM 1062 CG1 VAL A 68 8.236 0.715 -0.625 1.00 0.00 C ATOM 1063 CG2 VAL A 68 7.080 -1.230 -1.740 1.00 0.00 C ATOM 0 H VAL A 68 9.544 -1.117 -2.624 1.00 0.00 H new ATOM 0 HA VAL A 68 9.830 -1.298 0.320 1.00 0.00 H new ATOM 0 HB VAL A 68 7.465 -1.022 0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.283 1.245 -0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.821 1.009 0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.784 0.967 -1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.150 -0.662 -1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.587 -1.046 -2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.859 -2.293 -1.648 1.00 0.00 H new ATOM 1073 N GLY A 69 10.029 -3.786 -1.203 1.00 0.00 N ATOM 1074 CA GLY A 69 9.967 -5.237 -1.261 1.00 0.00 C ATOM 1075 C GLY A 69 10.262 -5.854 0.108 1.00 0.00 C ATOM 1076 O GLY A 69 11.413 -5.895 0.539 1.00 0.00 O ATOM 0 H GLY A 69 10.830 -3.374 -1.681 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.979 -5.549 -1.599 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.686 -5.606 -1.993 1.00 0.00 H new ATOM 1080 N GLY A 70 9.202 -6.319 0.753 1.00 0.00 N ATOM 1081 CA GLY A 70 9.333 -6.932 2.063 1.00 0.00 C ATOM 1082 C GLY A 70 9.282 -5.876 3.170 1.00 0.00 C ATOM 1083 O GLY A 70 9.075 -6.205 4.337 1.00 0.00 O ATOM 0 H GLY A 70 8.249 -6.283 0.392 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.533 -7.658 2.211 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.274 -7.479 2.120 1.00 0.00 H new ATOM 1087 N LYS A 71 9.474 -4.630 2.764 1.00 0.00 N ATOM 1088 CA LYS A 71 9.452 -3.524 3.706 1.00 0.00 C ATOM 1089 C LYS A 71 8.029 -3.341 4.239 1.00 0.00 C ATOM 1090 O LYS A 71 7.080 -3.896 3.687 1.00 0.00 O ATOM 1091 CB LYS A 71 10.036 -2.263 3.066 1.00 0.00 C ATOM 1092 CG LYS A 71 11.507 -2.466 2.697 1.00 0.00 C ATOM 1093 CD LYS A 71 12.413 -2.236 3.907 1.00 0.00 C ATOM 1094 CE LYS A 71 13.864 -2.600 3.583 1.00 0.00 C ATOM 1095 NZ LYS A 71 14.270 -3.815 4.323 1.00 0.00 N ATOM 0 H LYS A 71 9.646 -4.362 1.795 1.00 0.00 H new ATOM 0 HA LYS A 71 10.088 -3.742 4.564 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.466 -2.006 2.173 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.943 -1.424 3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.654 -3.476 2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.783 -1.780 1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.356 -1.192 4.215 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.063 -2.836 4.747 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.973 -2.766 2.511 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.521 -1.771 3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.257 -4.049 4.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.185 -3.644 5.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.654 -4.608 4.052 1.00 0.00 H new ATOM 1109 N VAL A 72 7.926 -2.560 5.304 1.00 0.00 N ATOM 1110 CA VAL A 72 6.635 -2.297 5.917 1.00 0.00 C ATOM 1111 C VAL A 72 6.207 -0.864 5.598 1.00 0.00 C ATOM 1112 O VAL A 72 6.840 0.091 6.045 1.00 0.00 O ATOM 1113 CB VAL A 72 6.701 -2.581 7.419 1.00 0.00 C ATOM 1114 CG1 VAL A 72 5.555 -1.889 8.159 1.00 0.00 C ATOM 1115 CG2 VAL A 72 6.701 -4.087 7.693 1.00 0.00 C ATOM 0 H VAL A 72 8.715 -2.101 5.758 1.00 0.00 H new ATOM 0 HA VAL A 72 5.875 -2.962 5.507 1.00 0.00 H new ATOM 0 HB VAL A 72 7.638 -2.172 7.796 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.626 -2.107 9.225 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.620 -0.812 8.004 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.602 -2.254 7.776 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.749 -4.261 8.768 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.788 -4.529 7.294 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.566 -4.544 7.213 1.00 0.00 H new ATOM 1125 N ILE A 73 5.134 -0.758 4.828 1.00 0.00 N ATOM 1126 CA ILE A 73 4.614 0.543 4.444 1.00 0.00 C ATOM 1127 C ILE A 73 3.576 0.996 5.473 1.00 0.00 C ATOM 1128 O ILE A 73 3.171 0.219 6.335 1.00 0.00 O ATOM 1129 CB ILE A 73 4.081 0.505 3.010 1.00 0.00 C ATOM 1130 CG1 ILE A 73 4.976 -0.356 2.115 1.00 0.00 C ATOM 1131 CG2 ILE A 73 3.905 1.919 2.453 1.00 0.00 C ATOM 1132 CD1 ILE A 73 4.295 -0.648 0.777 1.00 0.00 C ATOM 0 H ILE A 73 4.611 -1.552 4.460 1.00 0.00 H new ATOM 0 HA ILE A 73 5.411 1.287 4.444 1.00 0.00 H new ATOM 0 HB ILE A 73 3.096 0.039 3.024 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.923 0.156 1.941 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.208 -1.293 2.621 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.525 1.864 1.433 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.198 2.469 3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.866 2.433 2.455 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.952 -1.261 0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.361 -1.181 0.953 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.086 0.290 0.263 1.00 0.00 H new ATOM 1144 N HIS A 74 3.176 2.253 5.348 1.00 0.00 N ATOM 1145 CA HIS A 74 2.193 2.819 6.256 1.00 0.00 C ATOM 1146 C HIS A 74 1.005 3.357 5.457 1.00 0.00 C ATOM 1147 O HIS A 74 1.043 4.482 4.962 1.00 0.00 O ATOM 1148 CB HIS A 74 2.832 3.880 7.155 1.00 0.00 C ATOM 1149 CG HIS A 74 3.686 3.313 8.263 1.00 0.00 C ATOM 1150 ND1 HIS A 74 3.151 2.713 9.389 1.00 0.00 N ATOM 1151 CD2 HIS A 74 5.042 3.260 8.405 1.00 0.00 C ATOM 1152 CE1 HIS A 74 4.149 2.321 10.168 1.00 0.00 C ATOM 1153 NE2 HIS A 74 5.320 2.662 9.557 1.00 0.00 N ATOM 0 H HIS A 74 3.515 2.895 4.632 1.00 0.00 H new ATOM 0 HA HIS A 74 1.816 2.041 6.920 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.444 4.541 6.541 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.044 4.492 7.594 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.766 3.640 7.700 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.052 1.820 11.120 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.255 2.486 9.925 1.00 0.00 H new ATOM 1161 N LEU A 75 -0.023 2.527 5.355 1.00 0.00 N ATOM 1162 CA LEU A 75 -1.221 2.904 4.624 1.00 0.00 C ATOM 1163 C LEU A 75 -2.111 3.765 5.523 1.00 0.00 C ATOM 1164 O LEU A 75 -2.059 3.651 6.747 1.00 0.00 O ATOM 1165 CB LEU A 75 -1.923 1.664 4.069 1.00 0.00 C ATOM 1166 CG LEU A 75 -3.411 1.822 3.750 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -3.612 2.495 2.391 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -4.136 0.477 3.836 1.00 0.00 C ATOM 0 H LEU A 75 -0.051 1.594 5.767 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.963 3.510 3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.408 1.356 3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.810 0.854 4.790 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.854 2.475 4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.678 2.595 2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.150 3.482 2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.151 1.888 1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.192 0.617 3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.697 -0.219 3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.036 0.073 4.844 1.00 0.00 H new ATOM 1180 N VAL A 76 -2.908 4.606 4.881 1.00 0.00 N ATOM 1181 CA VAL A 76 -3.809 5.486 5.607 1.00 0.00 C ATOM 1182 C VAL A 76 -5.159 5.530 4.890 1.00 0.00 C ATOM 1183 O VAL A 76 -5.216 5.494 3.661 1.00 0.00 O ATOM 1184 CB VAL A 76 -3.173 6.868 5.769 1.00 0.00 C ATOM 1185 CG1 VAL A 76 -1.888 6.786 6.596 1.00 0.00 C ATOM 1186 CG2 VAL A 76 -2.908 7.513 4.408 1.00 0.00 C ATOM 0 H VAL A 76 -2.949 4.697 3.866 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.987 5.105 6.613 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.879 7.500 6.307 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.456 7.782 6.696 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.116 6.388 7.585 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.175 6.130 6.097 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.456 8.494 4.552 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.231 6.882 3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.848 7.623 3.868 1.00 0.00 H new ATOM 1196 N GLU A 77 -6.215 5.607 5.687 1.00 0.00 N ATOM 1197 CA GLU A 77 -7.561 5.657 5.144 1.00 0.00 C ATOM 1198 C GLU A 77 -8.249 6.962 5.549 1.00 0.00 C ATOM 1199 O GLU A 77 -8.261 7.323 6.725 1.00 0.00 O ATOM 1200 CB GLU A 77 -8.378 4.444 5.593 1.00 0.00 C ATOM 1201 CG GLU A 77 -9.822 4.540 5.094 1.00 0.00 C ATOM 1202 CD GLU A 77 -10.812 4.224 6.217 1.00 0.00 C ATOM 1203 OE1 GLU A 77 -10.445 3.398 7.081 1.00 0.00 O ATOM 1204 OE2 GLU A 77 -11.913 4.815 6.186 1.00 0.00 O ATOM 0 H GLU A 77 -6.165 5.636 6.705 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.495 5.627 4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.918 3.531 5.214 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.369 4.378 6.681 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.012 5.542 4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.972 3.846 4.267 1.00 0.00 H new