USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 610 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 35 GLN : amide:sc= 0.0387 X(o=-0.13,f=-0.2) USER MOD Set 1.2: A 49 GLN : amide:sc= -0.17 K(o=-0.13,f=-1.4!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -109:sc= 0.069 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HE2:sc= -1.07 X(o=-1.1,f=-1.1) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.467 X(o=-0.47,f=-0.62) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HE2:sc= -1.2 X(o=-1.2,f=-1.5) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 27 GLN : amide:sc= -0.0125 K(o=-0.012,f=-0.61) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc=-0.00409 X(o=-0.0041,f=0) USER MOD Single : A 50 SER OG : rot -39:sc= 0.047 USER MOD Single : A 52 GLN : amide:sc= -0.733 K(o=-0.73,f=-4.7!) USER MOD Single : A 53 LYS NZ :NH3+ 146:sc= -0.859 (180deg=-2.11!) USER MOD Single : A 57 LYS NZ :NH3+ 159:sc= -1.51! (180deg=-2.35!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -124:sc= 1.13 (180deg=-0.914) USER MOD Single : A 64 MET CE :methyl -157:sc= -0.389 (180deg=-1.99) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.881 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.0043) USER MOD Single : A 77 CYS SG : rot 180:sc= 0.263 USER MOD Single : A 80 MET CE :methyl -153:sc= 0 (180deg=-0.358) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.099 11.086 10.510 1.00 0.00 N ATOM 60 CA GLY A 7 5.051 10.092 10.648 1.00 0.00 C ATOM 61 C GLY A 7 3.675 10.715 10.782 1.00 0.00 C ATOM 62 O GLY A 7 3.550 11.909 11.056 1.00 0.00 O ATOM 0 HA2 GLY A 7 5.065 9.431 9.781 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.253 9.474 11.523 1.00 0.00 H new ATOM 66 N LEU A 8 2.640 9.906 10.587 1.00 0.00 N ATOM 67 CA LEU A 8 1.265 10.384 10.686 1.00 0.00 C ATOM 68 C LEU A 8 0.381 9.359 11.388 1.00 0.00 C ATOM 69 O LEU A 8 0.635 8.155 11.324 1.00 0.00 O ATOM 70 CB LEU A 8 0.708 10.688 9.294 1.00 0.00 C ATOM 71 CG LEU A 8 1.091 9.703 8.189 1.00 0.00 C ATOM 72 CD1 LEU A 8 0.017 8.639 8.026 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.321 10.437 6.876 1.00 0.00 C ATOM 0 H LEU A 8 2.726 8.916 10.359 1.00 0.00 H new ATOM 0 HA LEU A 8 1.267 11.300 11.277 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.379 10.725 9.360 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.043 11.682 8.999 1.00 0.00 H new ATOM 0 HG LEU A 8 2.021 9.211 8.474 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.307 7.947 7.235 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.099 8.092 8.962 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.929 9.114 7.764 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.593 9.720 6.101 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.408 10.957 6.585 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.127 11.160 7.000 1.00 0.00 H new ATOM 85 N THR A 9 -0.661 9.842 12.057 1.00 0.00 N ATOM 86 CA THR A 9 -1.585 8.969 12.770 1.00 0.00 C ATOM 87 C THR A 9 -2.894 8.812 12.005 1.00 0.00 C ATOM 88 O THR A 9 -3.784 9.658 12.097 1.00 0.00 O ATOM 89 CB THR A 9 -1.889 9.504 14.181 1.00 0.00 C ATOM 90 OG1 THR A 9 -0.668 9.711 14.900 1.00 0.00 O ATOM 91 CG2 THR A 9 -2.777 8.536 14.948 1.00 0.00 C ATOM 0 H THR A 9 -0.886 10.835 12.120 1.00 0.00 H new ATOM 0 HA THR A 9 -1.099 7.997 12.856 1.00 0.00 H new ATOM 0 HB THR A 9 -2.416 10.453 14.080 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.870 10.053 15.796 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.978 8.936 15.942 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.718 8.403 14.413 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.273 7.574 15.039 1.00 0.00 H new ATOM 99 N VAL A 10 -3.007 7.723 11.251 1.00 0.00 N ATOM 100 CA VAL A 10 -4.209 7.454 10.471 1.00 0.00 C ATOM 101 C VAL A 10 -4.821 6.110 10.851 1.00 0.00 C ATOM 102 O VAL A 10 -4.111 5.121 11.034 1.00 0.00 O ATOM 103 CB VAL A 10 -3.912 7.462 8.960 1.00 0.00 C ATOM 104 CG1 VAL A 10 -2.697 6.601 8.650 1.00 0.00 C ATOM 105 CG2 VAL A 10 -5.126 6.988 8.176 1.00 0.00 C ATOM 0 H VAL A 10 -2.280 7.013 11.164 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.918 8.250 10.698 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.689 8.485 8.657 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.502 6.619 7.578 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.829 6.991 9.183 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.887 5.576 8.967 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.898 7.000 7.110 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.383 5.973 8.481 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.969 7.650 8.374 1.00 0.00 H new ATOM 115 N THR A 11 -6.145 6.081 10.967 1.00 0.00 N ATOM 116 CA THR A 11 -6.854 4.859 11.325 1.00 0.00 C ATOM 117 C THR A 11 -7.177 4.028 10.089 1.00 0.00 C ATOM 118 O THR A 11 -7.481 4.570 9.026 1.00 0.00 O ATOM 119 CB THR A 11 -8.161 5.168 12.079 1.00 0.00 C ATOM 120 OG1 THR A 11 -7.872 5.852 13.302 1.00 0.00 O ATOM 121 CG2 THR A 11 -8.929 3.889 12.377 1.00 0.00 C ATOM 0 H THR A 11 -6.748 6.890 10.818 1.00 0.00 H new ATOM 0 HA THR A 11 -6.193 4.290 11.978 1.00 0.00 H new ATOM 0 HB THR A 11 -8.778 5.805 11.445 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.045 5.255 14.060 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.848 4.132 12.910 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.174 3.386 11.442 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.316 3.231 12.993 1.00 0.00 H new ATOM 129 N VAL A 12 -7.110 2.708 10.234 1.00 0.00 N ATOM 130 CA VAL A 12 -7.398 1.802 9.129 1.00 0.00 C ATOM 131 C VAL A 12 -8.669 1.002 9.390 1.00 0.00 C ATOM 132 O VAL A 12 -8.746 0.231 10.348 1.00 0.00 O ATOM 133 CB VAL A 12 -6.232 0.826 8.885 1.00 0.00 C ATOM 134 CG1 VAL A 12 -6.660 -0.295 7.950 1.00 0.00 C ATOM 135 CG2 VAL A 12 -5.026 1.566 8.325 1.00 0.00 C ATOM 0 H VAL A 12 -6.859 2.243 11.106 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.537 2.420 8.242 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.947 0.382 9.839 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.823 -0.974 7.789 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.491 -0.842 8.395 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.973 0.127 6.995 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.212 0.861 8.159 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.295 2.039 7.380 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.706 2.329 9.034 1.00 0.00 H new ATOM 145 N THR A 13 -9.667 1.190 8.533 1.00 0.00 N ATOM 146 CA THR A 13 -10.936 0.487 8.671 1.00 0.00 C ATOM 147 C THR A 13 -10.833 -0.942 8.149 1.00 0.00 C ATOM 148 O THR A 13 -10.965 -1.187 6.950 1.00 0.00 O ATOM 149 CB THR A 13 -12.067 1.215 7.919 1.00 0.00 C ATOM 150 OG1 THR A 13 -12.051 2.609 8.243 1.00 0.00 O ATOM 151 CG2 THR A 13 -13.422 0.622 8.275 1.00 0.00 C ATOM 0 H THR A 13 -9.621 1.824 7.735 1.00 0.00 H new ATOM 0 HA THR A 13 -11.171 0.467 9.735 1.00 0.00 H new ATOM 0 HB THR A 13 -11.903 1.089 6.849 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.771 3.065 7.760 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.205 1.152 7.732 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.441 -0.433 8.001 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.592 0.722 9.347 1.00 0.00 H new ATOM 159 N HIS A 14 -10.596 -1.883 9.058 1.00 0.00 N ATOM 160 CA HIS A 14 -10.477 -3.289 8.689 1.00 0.00 C ATOM 161 C HIS A 14 -11.503 -4.136 9.435 1.00 0.00 C ATOM 162 O HIS A 14 -11.592 -4.084 10.661 1.00 0.00 O ATOM 163 CB HIS A 14 -9.066 -3.798 8.986 1.00 0.00 C ATOM 164 CG HIS A 14 -8.757 -5.116 8.345 1.00 0.00 C ATOM 165 ND1 HIS A 14 -8.847 -6.318 9.014 1.00 0.00 N ATOM 166 CD2 HIS A 14 -8.358 -5.416 7.087 1.00 0.00 C ATOM 167 CE1 HIS A 14 -8.515 -7.301 8.196 1.00 0.00 C ATOM 168 NE2 HIS A 14 -8.215 -6.780 7.020 1.00 0.00 N ATOM 0 H HIS A 14 -10.483 -1.697 10.055 1.00 0.00 H new ATOM 0 HA HIS A 14 -10.669 -3.376 7.620 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.342 -3.058 8.644 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.942 -3.890 10.065 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -9.126 -6.431 9.988 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.184 -4.713 6.285 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.493 -8.351 8.446 1.00 0.00 H new ATOM 177 N SER A 15 -12.278 -4.915 8.686 1.00 0.00 N ATOM 178 CA SER A 15 -13.301 -5.769 9.276 1.00 0.00 C ATOM 179 C SER A 15 -14.360 -4.935 9.990 1.00 0.00 C ATOM 180 O SER A 15 -14.796 -5.273 11.089 1.00 0.00 O ATOM 181 CB SER A 15 -12.668 -6.757 10.257 1.00 0.00 C ATOM 182 OG SER A 15 -12.102 -7.862 9.574 1.00 0.00 O ATOM 0 H SER A 15 -12.216 -4.972 7.669 1.00 0.00 H new ATOM 0 HA SER A 15 -13.782 -6.325 8.471 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.898 -6.252 10.840 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.422 -7.108 10.962 1.00 0.00 H new ATOM 0 HG SER A 15 -11.702 -8.478 10.223 1.00 0.00 H new ATOM 188 N ASN A 16 -14.770 -3.841 9.355 1.00 0.00 N ATOM 189 CA ASN A 16 -15.778 -2.957 9.928 1.00 0.00 C ATOM 190 C ASN A 16 -15.367 -2.497 11.324 1.00 0.00 C ATOM 191 O ASN A 16 -16.193 -2.428 12.233 1.00 0.00 O ATOM 192 CB ASN A 16 -17.132 -3.665 9.991 1.00 0.00 C ATOM 193 CG ASN A 16 -18.278 -2.702 10.234 1.00 0.00 C ATOM 194 OD1 ASN A 16 -18.672 -2.464 11.376 1.00 0.00 O ATOM 195 ND2 ASN A 16 -18.819 -2.143 9.158 1.00 0.00 N ATOM 0 H ASN A 16 -14.419 -3.546 8.444 1.00 0.00 H new ATOM 0 HA ASN A 16 -15.864 -2.081 9.286 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -17.303 -4.200 9.057 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -17.113 -4.410 10.786 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -19.593 -1.487 9.259 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -18.460 -2.370 8.231 1.00 0.00 H new ATOM 202 N GLU A 17 -14.085 -2.182 11.484 1.00 0.00 N ATOM 203 CA GLU A 17 -13.565 -1.729 12.769 1.00 0.00 C ATOM 204 C GLU A 17 -12.641 -0.528 12.589 1.00 0.00 C ATOM 205 O GLU A 17 -12.423 -0.060 11.471 1.00 0.00 O ATOM 206 CB GLU A 17 -12.814 -2.864 13.469 1.00 0.00 C ATOM 207 CG GLU A 17 -13.715 -4.001 13.922 1.00 0.00 C ATOM 208 CD GLU A 17 -13.101 -4.821 15.040 1.00 0.00 C ATOM 209 OE1 GLU A 17 -12.636 -4.220 16.031 1.00 0.00 O ATOM 210 OE2 GLU A 17 -13.086 -6.064 14.924 1.00 0.00 O ATOM 0 H GLU A 17 -13.388 -2.232 10.741 1.00 0.00 H new ATOM 0 HA GLU A 17 -14.410 -1.426 13.388 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.057 -3.259 12.792 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.288 -2.461 14.335 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.668 -3.593 14.257 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.927 -4.652 13.074 1.00 0.00 H new ATOM 217 N LYS A 18 -12.101 -0.033 13.697 1.00 0.00 N ATOM 218 CA LYS A 18 -11.200 1.112 13.664 1.00 0.00 C ATOM 219 C LYS A 18 -9.891 0.796 14.381 1.00 0.00 C ATOM 220 O LYS A 18 -9.885 0.476 15.570 1.00 0.00 O ATOM 221 CB LYS A 18 -11.866 2.330 14.309 1.00 0.00 C ATOM 222 CG LYS A 18 -12.648 3.186 13.329 1.00 0.00 C ATOM 223 CD LYS A 18 -12.898 4.579 13.881 1.00 0.00 C ATOM 224 CE LYS A 18 -11.635 5.425 13.853 1.00 0.00 C ATOM 225 NZ LYS A 18 -11.827 6.733 14.538 1.00 0.00 N ATOM 0 H LYS A 18 -12.272 -0.408 14.630 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.977 1.337 12.621 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.537 1.991 15.098 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.100 2.944 14.783 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.099 3.259 12.390 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.601 2.706 13.105 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.678 5.068 13.297 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.265 4.505 14.905 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.822 4.880 14.333 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.336 5.597 12.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.943 7.279 14.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.585 7.265 14.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.087 6.570 15.532 1.00 0.00 H new ATOM 239 N HIS A 19 -8.784 0.889 13.651 1.00 0.00 N ATOM 240 CA HIS A 19 -7.469 0.615 14.219 1.00 0.00 C ATOM 241 C HIS A 19 -6.511 1.773 13.956 1.00 0.00 C ATOM 242 O HIS A 19 -6.003 1.932 12.846 1.00 0.00 O ATOM 243 CB HIS A 19 -6.897 -0.677 13.634 1.00 0.00 C ATOM 244 CG HIS A 19 -7.795 -1.863 13.809 1.00 0.00 C ATOM 245 ND1 HIS A 19 -7.931 -2.534 15.006 1.00 0.00 N ATOM 246 CD2 HIS A 19 -8.607 -2.496 12.931 1.00 0.00 C ATOM 247 CE1 HIS A 19 -8.786 -3.529 14.856 1.00 0.00 C ATOM 248 NE2 HIS A 19 -9.211 -3.528 13.606 1.00 0.00 N ATOM 0 H HIS A 19 -8.771 1.152 12.666 1.00 0.00 H new ATOM 0 HA HIS A 19 -7.583 0.499 15.297 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -6.705 -0.531 12.571 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.937 -0.886 14.106 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.753 -2.238 11.893 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -9.087 -4.225 15.625 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -9.879 -4.187 13.207 1.00 0.00 H new ATOM 257 N ASP A 20 -6.270 2.580 14.984 1.00 0.00 N ATOM 258 CA ASP A 20 -5.374 3.724 14.864 1.00 0.00 C ATOM 259 C ASP A 20 -3.925 3.266 14.725 1.00 0.00 C ATOM 260 O ASP A 20 -3.398 2.567 15.591 1.00 0.00 O ATOM 261 CB ASP A 20 -5.518 4.641 16.080 1.00 0.00 C ATOM 262 CG ASP A 20 -6.967 4.881 16.456 1.00 0.00 C ATOM 263 OD1 ASP A 20 -7.569 3.993 17.096 1.00 0.00 O ATOM 264 OD2 ASP A 20 -7.498 5.956 16.111 1.00 0.00 O ATOM 0 H ASP A 20 -6.683 2.463 15.909 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.649 4.278 13.967 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.994 4.200 16.928 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.037 5.596 15.870 1.00 0.00 H new ATOM 269 N LEU A 21 -3.287 3.665 13.630 1.00 0.00 N ATOM 270 CA LEU A 21 -1.899 3.296 13.377 1.00 0.00 C ATOM 271 C LEU A 21 -1.051 4.530 13.085 1.00 0.00 C ATOM 272 O LEU A 21 -1.533 5.503 12.505 1.00 0.00 O ATOM 273 CB LEU A 21 -1.817 2.318 12.203 1.00 0.00 C ATOM 274 CG LEU A 21 -2.817 1.161 12.222 1.00 0.00 C ATOM 275 CD1 LEU A 21 -2.726 0.356 10.936 1.00 0.00 C ATOM 276 CD2 LEU A 21 -2.577 0.268 13.431 1.00 0.00 C ATOM 0 H LEU A 21 -3.709 4.244 12.904 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.508 2.814 14.273 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.958 2.878 11.279 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.810 1.901 12.173 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.822 1.576 12.296 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.445 -0.463 10.968 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.948 1.001 10.086 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.719 -0.049 10.831 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.298 -0.550 13.428 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.567 -0.139 13.388 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.695 0.852 14.344 1.00 0.00 H new ATOM 288 N HIS A 22 0.214 4.482 13.489 1.00 0.00 N ATOM 289 CA HIS A 22 1.130 5.595 13.268 1.00 0.00 C ATOM 290 C HIS A 22 2.093 5.288 12.125 1.00 0.00 C ATOM 291 O HIS A 22 3.065 4.554 12.299 1.00 0.00 O ATOM 292 CB HIS A 22 1.915 5.898 14.545 1.00 0.00 C ATOM 293 CG HIS A 22 2.927 6.990 14.381 1.00 0.00 C ATOM 294 ND1 HIS A 22 3.930 7.230 15.296 1.00 0.00 N ATOM 295 CD2 HIS A 22 3.087 7.909 13.400 1.00 0.00 C ATOM 296 CE1 HIS A 22 4.663 8.250 14.885 1.00 0.00 C ATOM 297 NE2 HIS A 22 4.172 8.680 13.737 1.00 0.00 N ATOM 0 H HIS A 22 0.628 3.684 13.971 1.00 0.00 H new ATOM 0 HA HIS A 22 0.540 6.471 12.997 1.00 0.00 H new ATOM 0 HB2 HIS A 22 1.216 6.177 15.334 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.422 4.991 14.874 1.00 0.00 H new ATOM 0 HD1 HIS A 22 4.082 6.703 16.156 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.475 8.016 12.517 1.00 0.00 H new ATOM 0 HE1 HIS A 22 5.518 8.662 15.400 1.00 0.00 H new ATOM 306 N VAL A 23 1.814 5.855 10.955 1.00 0.00 N ATOM 307 CA VAL A 23 2.656 5.642 9.783 1.00 0.00 C ATOM 308 C VAL A 23 3.990 6.364 9.927 1.00 0.00 C ATOM 309 O VAL A 23 4.035 7.556 10.235 1.00 0.00 O ATOM 310 CB VAL A 23 1.959 6.125 8.497 1.00 0.00 C ATOM 311 CG1 VAL A 23 2.792 5.773 7.274 1.00 0.00 C ATOM 312 CG2 VAL A 23 0.563 5.528 8.392 1.00 0.00 C ATOM 0 H VAL A 23 1.012 6.465 10.794 1.00 0.00 H new ATOM 0 HA VAL A 23 2.833 4.569 9.710 1.00 0.00 H new ATOM 0 HB VAL A 23 1.863 7.210 8.541 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.284 6.122 6.375 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.768 6.252 7.348 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.922 4.692 7.221 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.085 5.880 7.478 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.633 4.440 8.370 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.030 5.836 9.253 1.00 0.00 H new ATOM 322 N THR A 24 5.079 5.635 9.701 1.00 0.00 N ATOM 323 CA THR A 24 6.416 6.206 9.805 1.00 0.00 C ATOM 324 C THR A 24 7.238 5.913 8.555 1.00 0.00 C ATOM 325 O THR A 24 7.132 4.836 7.969 1.00 0.00 O ATOM 326 CB THR A 24 7.164 5.661 11.036 1.00 0.00 C ATOM 327 OG1 THR A 24 7.159 4.229 11.019 1.00 0.00 O ATOM 328 CG2 THR A 24 6.524 6.160 12.323 1.00 0.00 C ATOM 0 H THR A 24 5.061 4.648 9.445 1.00 0.00 H new ATOM 0 HA THR A 24 6.292 7.284 9.911 1.00 0.00 H new ATOM 0 HB THR A 24 8.192 6.020 10.997 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.638 3.891 11.804 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.069 5.762 13.179 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.556 7.249 12.347 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.487 5.827 12.367 1.00 0.00 H new ATOM 336 N SER A 25 8.057 6.879 8.151 1.00 0.00 N ATOM 337 CA SER A 25 8.895 6.726 6.968 1.00 0.00 C ATOM 338 C SER A 25 9.852 5.549 7.128 1.00 0.00 C ATOM 339 O SER A 25 9.891 4.907 8.178 1.00 0.00 O ATOM 340 CB SER A 25 9.686 8.009 6.708 1.00 0.00 C ATOM 341 OG SER A 25 10.779 8.125 7.603 1.00 0.00 O ATOM 0 H SER A 25 8.158 7.776 8.626 1.00 0.00 H new ATOM 0 HA SER A 25 8.245 6.529 6.116 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.051 8.013 5.681 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.030 8.873 6.816 1.00 0.00 H new ATOM 0 HG SER A 25 11.269 8.952 7.415 1.00 0.00 H new ATOM 347 N GLN A 26 10.620 5.272 6.080 1.00 0.00 N ATOM 348 CA GLN A 26 11.577 4.171 6.104 1.00 0.00 C ATOM 349 C GLN A 26 12.932 4.640 6.623 1.00 0.00 C ATOM 350 O GLN A 26 13.975 4.156 6.184 1.00 0.00 O ATOM 351 CB GLN A 26 11.732 3.572 4.706 1.00 0.00 C ATOM 352 CG GLN A 26 10.492 2.842 4.215 1.00 0.00 C ATOM 353 CD GLN A 26 10.484 2.649 2.712 1.00 0.00 C ATOM 354 OE1 GLN A 26 10.760 1.558 2.213 1.00 0.00 O ATOM 355 NE2 GLN A 26 10.167 3.711 1.980 1.00 0.00 N ATOM 0 H GLN A 26 10.599 5.794 5.204 1.00 0.00 H new ATOM 0 HA GLN A 26 11.195 3.405 6.779 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.976 4.369 4.004 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.574 2.880 4.708 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.431 1.869 4.702 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.605 3.402 4.510 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.945 4.596 2.435 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.146 3.641 0.963 1.00 0.00 H new ATOM 364 N GLN A 27 12.909 5.583 7.558 1.00 0.00 N ATOM 365 CA GLN A 27 14.137 6.117 8.136 1.00 0.00 C ATOM 366 C GLN A 27 15.078 6.617 7.045 1.00 0.00 C ATOM 367 O GLN A 27 16.285 6.386 7.098 1.00 0.00 O ATOM 368 CB GLN A 27 14.836 5.049 8.978 1.00 0.00 C ATOM 369 CG GLN A 27 14.139 4.765 10.299 1.00 0.00 C ATOM 370 CD GLN A 27 14.643 3.499 10.964 1.00 0.00 C ATOM 371 OE1 GLN A 27 14.863 2.483 10.305 1.00 0.00 O ATOM 372 NE2 GLN A 27 14.830 3.554 12.278 1.00 0.00 N ATOM 0 H GLN A 27 12.054 5.994 7.932 1.00 0.00 H new ATOM 0 HA GLN A 27 13.872 6.958 8.777 1.00 0.00 H new ATOM 0 HB2 GLN A 27 14.896 4.125 8.402 1.00 0.00 H new ATOM 0 HB3 GLN A 27 15.859 5.367 9.177 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.288 5.609 10.973 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.066 4.679 10.128 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.635 4.417 12.785 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.169 2.733 12.780 1.00 0.00 H new ATOM 381 N GLY A 28 14.517 7.305 6.055 1.00 0.00 N ATOM 382 CA GLY A 28 15.321 7.827 4.965 1.00 0.00 C ATOM 383 C GLY A 28 14.587 8.875 4.153 1.00 0.00 C ATOM 384 O GLY A 28 15.169 9.886 3.761 1.00 0.00 O ATOM 0 H GLY A 28 13.520 7.510 5.988 1.00 0.00 H new ATOM 0 HA2 GLY A 28 16.237 8.260 5.368 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.617 7.007 4.311 1.00 0.00 H new ATOM 388 N SER A 29 13.305 8.634 3.898 1.00 0.00 N ATOM 389 CA SER A 29 12.491 9.563 3.123 1.00 0.00 C ATOM 390 C SER A 29 11.912 10.655 4.017 1.00 0.00 C ATOM 391 O SER A 29 11.221 10.370 4.996 1.00 0.00 O ATOM 392 CB SER A 29 11.360 8.815 2.414 1.00 0.00 C ATOM 393 OG SER A 29 11.869 7.769 1.604 1.00 0.00 O ATOM 0 H SER A 29 12.807 7.803 4.217 1.00 0.00 H new ATOM 0 HA SER A 29 13.131 10.031 2.376 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.672 8.405 3.153 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.789 9.511 1.799 1.00 0.00 H new ATOM 0 HG SER A 29 11.126 7.306 1.163 1.00 0.00 H new ATOM 399 N SER A 30 12.199 11.906 3.674 1.00 0.00 N ATOM 400 CA SER A 30 11.710 13.042 4.447 1.00 0.00 C ATOM 401 C SER A 30 10.307 12.772 4.982 1.00 0.00 C ATOM 402 O SER A 30 10.005 13.069 6.137 1.00 0.00 O ATOM 403 CB SER A 30 11.705 14.307 3.587 1.00 0.00 C ATOM 404 OG SER A 30 13.024 14.700 3.249 1.00 0.00 O ATOM 0 H SER A 30 12.768 12.159 2.866 1.00 0.00 H new ATOM 0 HA SER A 30 12.381 13.189 5.293 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.131 14.130 2.678 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.208 15.114 4.125 1.00 0.00 H new ATOM 0 HG SER A 30 12.993 15.510 2.698 1.00 0.00 H new ATOM 410 N GLU A 31 9.455 12.206 4.133 1.00 0.00 N ATOM 411 CA GLU A 31 8.084 11.896 4.520 1.00 0.00 C ATOM 412 C GLU A 31 7.751 10.437 4.222 1.00 0.00 C ATOM 413 O GLU A 31 8.300 9.823 3.307 1.00 0.00 O ATOM 414 CB GLU A 31 7.104 12.814 3.787 1.00 0.00 C ATOM 415 CG GLU A 31 7.205 12.728 2.273 1.00 0.00 C ATOM 416 CD GLU A 31 6.562 13.912 1.577 1.00 0.00 C ATOM 417 OE1 GLU A 31 5.315 13.989 1.569 1.00 0.00 O ATOM 418 OE2 GLU A 31 7.304 14.760 1.040 1.00 0.00 O ATOM 0 H GLU A 31 9.690 11.953 3.173 1.00 0.00 H new ATOM 0 HA GLU A 31 7.991 12.060 5.594 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.088 12.562 4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.283 13.844 4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.255 12.669 1.985 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.729 11.809 1.932 1.00 0.00 H new ATOM 425 N PRO A 32 6.830 9.868 5.014 1.00 0.00 N ATOM 426 CA PRO A 32 6.403 8.474 4.856 1.00 0.00 C ATOM 427 C PRO A 32 5.586 8.259 3.586 1.00 0.00 C ATOM 428 O PRO A 32 4.881 9.159 3.129 1.00 0.00 O ATOM 429 CB PRO A 32 5.539 8.225 6.095 1.00 0.00 C ATOM 430 CG PRO A 32 5.042 9.573 6.487 1.00 0.00 C ATOM 431 CD PRO A 32 6.135 10.540 6.124 1.00 0.00 C ATOM 0 HA PRO A 32 7.251 7.795 4.767 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.714 7.548 5.873 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.119 7.768 6.897 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.117 9.815 5.963 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.824 9.613 7.554 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.732 11.506 5.820 1.00 0.00 H new ATOM 0 HD3 PRO A 32 6.804 10.724 6.964 1.00 0.00 H new ATOM 439 N VAL A 33 5.686 7.061 3.019 1.00 0.00 N ATOM 440 CA VAL A 33 4.956 6.727 1.803 1.00 0.00 C ATOM 441 C VAL A 33 4.104 5.478 1.998 1.00 0.00 C ATOM 442 O VAL A 33 4.266 4.750 2.978 1.00 0.00 O ATOM 443 CB VAL A 33 5.913 6.502 0.617 1.00 0.00 C ATOM 444 CG1 VAL A 33 6.702 7.768 0.320 1.00 0.00 C ATOM 445 CG2 VAL A 33 6.848 5.336 0.902 1.00 0.00 C ATOM 0 H VAL A 33 6.266 6.305 3.383 1.00 0.00 H new ATOM 0 HA VAL A 33 4.307 7.575 1.581 1.00 0.00 H new ATOM 0 HB VAL A 33 5.321 6.257 -0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.373 7.590 -0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.014 8.576 0.070 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.286 8.047 1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.517 5.191 0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.435 5.550 1.795 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.262 4.431 1.061 1.00 0.00 H new ATOM 455 N VAL A 34 3.196 5.234 1.059 1.00 0.00 N ATOM 456 CA VAL A 34 2.319 4.072 1.126 1.00 0.00 C ATOM 457 C VAL A 34 3.065 2.850 1.650 1.00 0.00 C ATOM 458 O VAL A 34 2.580 2.148 2.537 1.00 0.00 O ATOM 459 CB VAL A 34 1.718 3.741 -0.253 1.00 0.00 C ATOM 460 CG1 VAL A 34 1.044 2.377 -0.229 1.00 0.00 C ATOM 461 CG2 VAL A 34 0.737 4.822 -0.680 1.00 0.00 C ATOM 0 H VAL A 34 3.049 5.826 0.242 1.00 0.00 H new ATOM 0 HA VAL A 34 1.512 4.324 1.814 1.00 0.00 H new ATOM 0 HB VAL A 34 2.526 3.707 -0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.625 2.161 -1.212 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.778 1.613 0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.246 2.379 0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.322 4.572 -1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.069 4.891 0.050 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.254 5.780 -0.740 1.00 0.00 H new ATOM 471 N GLN A 35 4.247 2.603 1.095 1.00 0.00 N ATOM 472 CA GLN A 35 5.060 1.465 1.507 1.00 0.00 C ATOM 473 C GLN A 35 4.985 1.260 3.017 1.00 0.00 C ATOM 474 O GLN A 35 4.655 0.172 3.489 1.00 0.00 O ATOM 475 CB GLN A 35 6.515 1.670 1.080 1.00 0.00 C ATOM 476 CG GLN A 35 7.438 0.538 1.503 1.00 0.00 C ATOM 477 CD GLN A 35 7.050 -0.792 0.889 1.00 0.00 C ATOM 478 OE1 GLN A 35 7.400 -1.087 -0.254 1.00 0.00 O ATOM 479 NE2 GLN A 35 6.323 -1.605 1.647 1.00 0.00 N ATOM 0 H GLN A 35 4.663 3.175 0.360 1.00 0.00 H new ATOM 0 HA GLN A 35 4.667 0.574 1.018 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.556 1.775 -0.004 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.881 2.605 1.505 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.461 0.782 1.216 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.424 0.450 2.589 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.055 -1.320 2.589 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.033 -2.514 1.287 1.00 0.00 H new ATOM 488 N ASP A 36 5.294 2.311 3.767 1.00 0.00 N ATOM 489 CA ASP A 36 5.261 2.247 5.224 1.00 0.00 C ATOM 490 C ASP A 36 3.857 1.919 5.721 1.00 0.00 C ATOM 491 O ASP A 36 3.679 1.070 6.596 1.00 0.00 O ATOM 492 CB ASP A 36 5.732 3.572 5.825 1.00 0.00 C ATOM 493 CG ASP A 36 7.132 3.945 5.379 1.00 0.00 C ATOM 494 OD1 ASP A 36 7.263 4.612 4.331 1.00 0.00 O ATOM 495 OD2 ASP A 36 8.097 3.570 6.077 1.00 0.00 O ATOM 0 H ASP A 36 5.570 3.218 3.391 1.00 0.00 H new ATOM 0 HA ASP A 36 5.935 1.453 5.544 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.040 4.364 5.539 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.706 3.504 6.913 1.00 0.00 H new ATOM 500 N LEU A 37 2.863 2.597 5.160 1.00 0.00 N ATOM 501 CA LEU A 37 1.473 2.379 5.547 1.00 0.00 C ATOM 502 C LEU A 37 1.111 0.900 5.465 1.00 0.00 C ATOM 503 O LEU A 37 0.569 0.330 6.411 1.00 0.00 O ATOM 504 CB LEU A 37 0.539 3.196 4.652 1.00 0.00 C ATOM 505 CG LEU A 37 -0.908 2.710 4.572 1.00 0.00 C ATOM 506 CD1 LEU A 37 -1.529 2.650 5.959 1.00 0.00 C ATOM 507 CD2 LEU A 37 -1.724 3.614 3.659 1.00 0.00 C ATOM 0 H LEU A 37 2.993 3.303 4.435 1.00 0.00 H new ATOM 0 HA LEU A 37 1.353 2.706 6.580 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.536 4.226 5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.953 3.209 3.644 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.911 1.704 4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.559 2.302 5.882 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.959 1.962 6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.514 3.643 6.407 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.752 3.253 3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.713 4.631 4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.292 3.606 2.658 1.00 0.00 H new ATOM 519 N ALA A 38 1.415 0.284 4.327 1.00 0.00 N ATOM 520 CA ALA A 38 1.125 -1.130 4.123 1.00 0.00 C ATOM 521 C ALA A 38 1.817 -1.990 5.175 1.00 0.00 C ATOM 522 O ALA A 38 1.246 -2.962 5.667 1.00 0.00 O ATOM 523 CB ALA A 38 1.549 -1.559 2.726 1.00 0.00 C ATOM 0 H ALA A 38 1.862 0.742 3.533 1.00 0.00 H new ATOM 0 HA ALA A 38 0.049 -1.273 4.225 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.327 -2.617 2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.005 -0.974 1.985 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.620 -1.394 2.604 1.00 0.00 H new ATOM 529 N GLN A 39 3.050 -1.625 5.513 1.00 0.00 N ATOM 530 CA GLN A 39 3.820 -2.366 6.505 1.00 0.00 C ATOM 531 C GLN A 39 3.193 -2.233 7.890 1.00 0.00 C ATOM 532 O GLN A 39 2.934 -3.230 8.563 1.00 0.00 O ATOM 533 CB GLN A 39 5.265 -1.866 6.537 1.00 0.00 C ATOM 534 CG GLN A 39 6.156 -2.514 5.489 1.00 0.00 C ATOM 535 CD GLN A 39 6.800 -3.795 5.982 1.00 0.00 C ATOM 536 OE1 GLN A 39 7.921 -3.784 6.490 1.00 0.00 O ATOM 537 NE2 GLN A 39 6.092 -4.909 5.833 1.00 0.00 N ATOM 0 H GLN A 39 3.536 -0.822 5.115 1.00 0.00 H new ATOM 0 HA GLN A 39 3.813 -3.419 6.222 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.270 -0.786 6.389 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.684 -2.055 7.525 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.566 -2.728 4.598 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.935 -1.810 5.194 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.166 -4.872 5.406 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.474 -5.802 6.145 1.00 0.00 H new ATOM 546 N VAL A 40 2.953 -0.994 8.309 1.00 0.00 N ATOM 547 CA VAL A 40 2.356 -0.731 9.613 1.00 0.00 C ATOM 548 C VAL A 40 1.153 -1.635 9.859 1.00 0.00 C ATOM 549 O VAL A 40 0.939 -2.111 10.974 1.00 0.00 O ATOM 550 CB VAL A 40 1.914 0.739 9.741 1.00 0.00 C ATOM 551 CG1 VAL A 40 1.080 0.938 10.997 1.00 0.00 C ATOM 552 CG2 VAL A 40 3.124 1.660 9.743 1.00 0.00 C ATOM 0 H VAL A 40 3.163 -0.157 7.764 1.00 0.00 H new ATOM 0 HA VAL A 40 3.122 -0.939 10.360 1.00 0.00 H new ATOM 0 HB VAL A 40 1.296 0.991 8.880 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.777 1.982 11.071 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.194 0.305 10.949 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.671 0.669 11.873 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.794 2.695 9.834 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.770 1.410 10.584 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.677 1.536 8.812 1.00 0.00 H new ATOM 562 N VAL A 41 0.371 -1.869 8.811 1.00 0.00 N ATOM 563 CA VAL A 41 -0.810 -2.719 8.913 1.00 0.00 C ATOM 564 C VAL A 41 -0.423 -4.171 9.168 1.00 0.00 C ATOM 565 O VAL A 41 -0.813 -4.759 10.176 1.00 0.00 O ATOM 566 CB VAL A 41 -1.667 -2.644 7.634 1.00 0.00 C ATOM 567 CG1 VAL A 41 -2.778 -3.683 7.675 1.00 0.00 C ATOM 568 CG2 VAL A 41 -2.239 -1.246 7.457 1.00 0.00 C ATOM 0 H VAL A 41 0.533 -1.482 7.881 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.394 -2.349 9.756 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.030 -2.861 6.777 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.373 -3.616 6.764 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.342 -4.679 7.751 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.416 -3.500 8.540 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.841 -1.212 6.549 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.862 -0.997 8.316 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.424 -0.527 7.379 1.00 0.00 H new ATOM 578 N GLU A 42 0.348 -4.743 8.248 1.00 0.00 N ATOM 579 CA GLU A 42 0.788 -6.127 8.374 1.00 0.00 C ATOM 580 C GLU A 42 1.639 -6.315 9.626 1.00 0.00 C ATOM 581 O GLU A 42 1.830 -7.437 10.096 1.00 0.00 O ATOM 582 CB GLU A 42 1.583 -6.548 7.136 1.00 0.00 C ATOM 583 CG GLU A 42 1.898 -8.033 7.091 1.00 0.00 C ATOM 584 CD GLU A 42 2.862 -8.392 5.976 1.00 0.00 C ATOM 585 OE1 GLU A 42 3.103 -7.532 5.103 1.00 0.00 O ATOM 586 OE2 GLU A 42 3.374 -9.530 5.977 1.00 0.00 O ATOM 0 H GLU A 42 0.680 -4.269 7.408 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.098 -6.756 8.459 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.019 -6.278 6.243 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.517 -5.986 7.106 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.323 -8.339 8.047 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.972 -8.593 6.960 1.00 0.00 H new ATOM 593 N GLU A 43 2.147 -5.209 10.161 1.00 0.00 N ATOM 594 CA GLU A 43 2.979 -5.253 11.358 1.00 0.00 C ATOM 595 C GLU A 43 2.132 -5.080 12.616 1.00 0.00 C ATOM 596 O GLU A 43 2.406 -5.688 13.650 1.00 0.00 O ATOM 597 CB GLU A 43 4.053 -4.165 11.299 1.00 0.00 C ATOM 598 CG GLU A 43 5.054 -4.358 10.173 1.00 0.00 C ATOM 599 CD GLU A 43 6.061 -5.452 10.468 1.00 0.00 C ATOM 600 OE1 GLU A 43 6.444 -5.602 11.647 1.00 0.00 O ATOM 601 OE2 GLU A 43 6.467 -6.157 9.521 1.00 0.00 O ATOM 0 H GLU A 43 1.997 -4.273 9.785 1.00 0.00 H new ATOM 0 HA GLU A 43 3.463 -6.229 11.398 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.570 -3.195 11.182 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.587 -4.142 12.249 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.519 -4.600 9.254 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.582 -3.421 9.997 1.00 0.00 H new ATOM 608 N VAL A 44 1.102 -4.245 12.518 1.00 0.00 N ATOM 609 CA VAL A 44 0.215 -3.992 13.647 1.00 0.00 C ATOM 610 C VAL A 44 -1.017 -4.889 13.590 1.00 0.00 C ATOM 611 O VAL A 44 -1.251 -5.697 14.489 1.00 0.00 O ATOM 612 CB VAL A 44 -0.237 -2.520 13.686 1.00 0.00 C ATOM 613 CG1 VAL A 44 -1.319 -2.321 14.736 1.00 0.00 C ATOM 614 CG2 VAL A 44 0.949 -1.606 13.951 1.00 0.00 C ATOM 0 H VAL A 44 0.862 -3.733 11.669 1.00 0.00 H new ATOM 0 HA VAL A 44 0.782 -4.215 14.551 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.656 -2.261 12.714 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.626 -1.275 14.749 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.178 -2.948 14.497 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.930 -2.597 15.716 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.612 -0.570 13.975 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.400 -1.863 14.910 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.687 -1.729 13.158 1.00 0.00 H new ATOM 624 N ILE A 45 -1.801 -4.741 12.527 1.00 0.00 N ATOM 625 CA ILE A 45 -3.008 -5.539 12.352 1.00 0.00 C ATOM 626 C ILE A 45 -2.677 -7.026 12.277 1.00 0.00 C ATOM 627 O ILE A 45 -3.150 -7.820 13.090 1.00 0.00 O ATOM 628 CB ILE A 45 -3.773 -5.130 11.079 1.00 0.00 C ATOM 629 CG1 ILE A 45 -3.906 -3.608 11.005 1.00 0.00 C ATOM 630 CG2 ILE A 45 -5.144 -5.789 11.052 1.00 0.00 C ATOM 631 CD1 ILE A 45 -4.972 -3.141 10.039 1.00 0.00 C ATOM 0 H ILE A 45 -1.622 -4.076 11.775 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.639 -5.353 13.221 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.211 -5.469 10.209 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.134 -3.223 11.999 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.947 -3.182 10.710 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.673 -5.491 10.147 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.027 -6.873 11.064 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.715 -5.476 11.926 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.010 -2.052 10.038 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.735 -3.496 9.036 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.940 -3.538 10.345 1.00 0.00 H new ATOM 643 N GLY A 46 -1.860 -7.397 11.296 1.00 0.00 N ATOM 644 CA GLY A 46 -1.479 -8.788 11.134 1.00 0.00 C ATOM 645 C GLY A 46 -1.902 -9.352 9.792 1.00 0.00 C ATOM 646 O GLY A 46 -1.884 -10.566 9.588 1.00 0.00 O ATOM 0 H GLY A 46 -1.455 -6.759 10.611 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.398 -8.880 11.239 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.928 -9.380 11.931 1.00 0.00 H new ATOM 650 N VAL A 47 -2.286 -8.470 8.875 1.00 0.00 N ATOM 651 CA VAL A 47 -2.717 -8.888 7.546 1.00 0.00 C ATOM 652 C VAL A 47 -1.645 -8.592 6.503 1.00 0.00 C ATOM 653 O VAL A 47 -1.076 -7.502 6.454 1.00 0.00 O ATOM 654 CB VAL A 47 -4.026 -8.187 7.135 1.00 0.00 C ATOM 655 CG1 VAL A 47 -4.335 -8.452 5.669 1.00 0.00 C ATOM 656 CG2 VAL A 47 -5.175 -8.643 8.021 1.00 0.00 C ATOM 0 H VAL A 47 -2.308 -7.462 9.028 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.888 -9.963 7.591 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.900 -7.112 7.267 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.263 -7.949 5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.521 -8.072 5.051 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.443 -9.525 5.508 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.092 -8.138 7.717 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.305 -9.721 7.923 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.953 -8.398 9.060 1.00 0.00 H new ATOM 666 N PRO A 48 -1.363 -9.585 5.647 1.00 0.00 N ATOM 667 CA PRO A 48 -0.359 -9.455 4.587 1.00 0.00 C ATOM 668 C PRO A 48 -0.799 -8.498 3.485 1.00 0.00 C ATOM 669 O PRO A 48 -1.991 -8.357 3.213 1.00 0.00 O ATOM 670 CB PRO A 48 -0.234 -10.879 4.040 1.00 0.00 C ATOM 671 CG PRO A 48 -1.541 -11.521 4.352 1.00 0.00 C ATOM 672 CD PRO A 48 -2.004 -10.911 5.647 1.00 0.00 C ATOM 0 HA PRO A 48 0.578 -9.044 4.962 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -0.041 -10.875 2.967 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.592 -11.413 4.511 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.264 -11.342 3.556 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.432 -12.601 4.446 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -3.090 -10.832 5.689 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.695 -11.507 6.505 1.00 0.00 H new ATOM 680 N GLN A 49 0.170 -7.843 2.854 1.00 0.00 N ATOM 681 CA GLN A 49 -0.120 -6.898 1.781 1.00 0.00 C ATOM 682 C GLN A 49 -0.847 -7.587 0.631 1.00 0.00 C ATOM 683 O GLN A 49 -1.362 -6.930 -0.273 1.00 0.00 O ATOM 684 CB GLN A 49 1.174 -6.260 1.272 1.00 0.00 C ATOM 685 CG GLN A 49 1.909 -5.450 2.328 1.00 0.00 C ATOM 686 CD GLN A 49 3.025 -4.606 1.745 1.00 0.00 C ATOM 687 OE1 GLN A 49 3.046 -4.329 0.545 1.00 0.00 O ATOM 688 NE2 GLN A 49 3.959 -4.192 2.592 1.00 0.00 N ATOM 0 H GLN A 49 1.162 -7.949 3.067 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.768 -6.119 2.182 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.835 -7.044 0.902 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.942 -5.613 0.426 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.199 -4.802 2.842 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.323 -6.126 3.076 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.902 -4.445 3.578 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.734 -3.620 2.257 1.00 0.00 H new ATOM 697 N SER A 50 -0.886 -8.915 0.673 1.00 0.00 N ATOM 698 CA SER A 50 -1.547 -9.694 -0.368 1.00 0.00 C ATOM 699 C SER A 50 -3.015 -9.924 -0.024 1.00 0.00 C ATOM 700 O SER A 50 -3.800 -10.366 -0.864 1.00 0.00 O ATOM 701 CB SER A 50 -0.839 -11.037 -0.557 1.00 0.00 C ATOM 702 OG SER A 50 -1.218 -11.646 -1.779 1.00 0.00 O ATOM 0 H SER A 50 -0.468 -9.474 1.417 1.00 0.00 H new ATOM 0 HA SER A 50 -1.494 -9.130 -1.299 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.241 -10.888 -0.541 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.082 -11.700 0.274 1.00 0.00 H new ATOM 0 HG SER A 50 -2.175 -11.502 -1.933 1.00 0.00 H new ATOM 708 N PHE A 51 -3.380 -9.621 1.217 1.00 0.00 N ATOM 709 CA PHE A 51 -4.754 -9.796 1.674 1.00 0.00 C ATOM 710 C PHE A 51 -5.401 -8.448 1.979 1.00 0.00 C ATOM 711 O PHE A 51 -6.616 -8.292 1.866 1.00 0.00 O ATOM 712 CB PHE A 51 -4.791 -10.686 2.918 1.00 0.00 C ATOM 713 CG PHE A 51 -4.583 -12.143 2.619 1.00 0.00 C ATOM 714 CD1 PHE A 51 -3.435 -12.574 1.975 1.00 0.00 C ATOM 715 CD2 PHE A 51 -5.536 -13.081 2.982 1.00 0.00 C ATOM 716 CE1 PHE A 51 -3.240 -13.914 1.699 1.00 0.00 C ATOM 717 CE2 PHE A 51 -5.346 -14.423 2.709 1.00 0.00 C ATOM 718 CZ PHE A 51 -4.197 -14.840 2.066 1.00 0.00 C ATOM 0 H PHE A 51 -2.744 -9.253 1.924 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.318 -10.277 0.875 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.023 -10.353 3.616 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.752 -10.559 3.417 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.684 -11.855 1.685 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.437 -12.760 3.484 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.340 -14.237 1.197 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.096 -15.145 2.998 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.047 -15.888 1.851 1.00 0.00 H new ATOM 728 N GLN A 52 -4.579 -7.478 2.367 1.00 0.00 N ATOM 729 CA GLN A 52 -5.071 -6.144 2.690 1.00 0.00 C ATOM 730 C GLN A 52 -5.104 -5.260 1.448 1.00 0.00 C ATOM 731 O GLN A 52 -4.224 -5.343 0.590 1.00 0.00 O ATOM 732 CB GLN A 52 -4.193 -5.500 3.765 1.00 0.00 C ATOM 733 CG GLN A 52 -2.745 -5.319 3.340 1.00 0.00 C ATOM 734 CD GLN A 52 -2.090 -4.119 3.995 1.00 0.00 C ATOM 735 OE1 GLN A 52 -2.592 -2.998 3.905 1.00 0.00 O ATOM 736 NE2 GLN A 52 -0.963 -4.348 4.659 1.00 0.00 N ATOM 0 H GLN A 52 -3.570 -7.591 2.465 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.088 -6.242 3.071 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.610 -4.528 4.028 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.225 -6.115 4.665 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.182 -6.218 3.591 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.700 -5.207 2.257 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.583 -5.293 4.708 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.478 -3.579 5.120 1.00 0.00 H new ATOM 745 N LYS A 53 -6.125 -4.415 1.356 1.00 0.00 N ATOM 746 CA LYS A 53 -6.274 -3.514 0.219 1.00 0.00 C ATOM 747 C LYS A 53 -6.597 -2.098 0.685 1.00 0.00 C ATOM 748 O LYS A 53 -7.670 -1.844 1.235 1.00 0.00 O ATOM 749 CB LYS A 53 -7.375 -4.018 -0.716 1.00 0.00 C ATOM 750 CG LYS A 53 -7.653 -3.089 -1.885 1.00 0.00 C ATOM 751 CD LYS A 53 -9.098 -3.186 -2.343 1.00 0.00 C ATOM 752 CE LYS A 53 -9.394 -4.539 -2.971 1.00 0.00 C ATOM 753 NZ LYS A 53 -9.640 -5.587 -1.941 1.00 0.00 N ATOM 0 H LYS A 53 -6.863 -4.335 2.056 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.328 -3.492 -0.322 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.093 -4.998 -1.101 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.293 -4.153 -0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.430 -2.062 -1.596 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.990 -3.337 -2.714 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.762 -3.025 -1.493 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.306 -2.396 -3.064 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.266 -4.455 -3.619 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.556 -4.838 -3.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.349 -6.261 -2.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.753 -6.091 -1.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.990 -5.141 -1.069 1.00 0.00 H new ATOM 767 N LEU A 54 -5.664 -1.180 0.462 1.00 0.00 N ATOM 768 CA LEU A 54 -5.850 0.212 0.858 1.00 0.00 C ATOM 769 C LEU A 54 -6.755 0.942 -0.129 1.00 0.00 C ATOM 770 O LEU A 54 -6.640 0.764 -1.341 1.00 0.00 O ATOM 771 CB LEU A 54 -4.498 0.922 0.949 1.00 0.00 C ATOM 772 CG LEU A 54 -3.820 0.902 2.319 1.00 0.00 C ATOM 773 CD1 LEU A 54 -4.724 1.525 3.372 1.00 0.00 C ATOM 774 CD2 LEU A 54 -3.447 -0.521 2.709 1.00 0.00 C ATOM 0 H LEU A 54 -4.771 -1.374 0.009 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.327 0.225 1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.822 0.467 0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.635 1.961 0.649 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.906 1.493 2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.224 1.502 4.340 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.941 2.558 3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.656 0.962 3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.965 -0.516 3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.347 -1.135 2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.761 -0.933 1.969 1.00 0.00 H new ATOM 786 N ILE A 55 -7.655 1.765 0.400 1.00 0.00 N ATOM 787 CA ILE A 55 -8.577 2.525 -0.435 1.00 0.00 C ATOM 788 C ILE A 55 -8.859 3.898 0.166 1.00 0.00 C ATOM 789 O ILE A 55 -9.488 4.011 1.218 1.00 0.00 O ATOM 790 CB ILE A 55 -9.910 1.777 -0.625 1.00 0.00 C ATOM 791 CG1 ILE A 55 -9.654 0.346 -1.100 1.00 0.00 C ATOM 792 CG2 ILE A 55 -10.797 2.519 -1.614 1.00 0.00 C ATOM 793 CD1 ILE A 55 -10.888 -0.529 -1.076 1.00 0.00 C ATOM 0 H ILE A 55 -7.765 1.922 1.402 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.096 2.648 -1.406 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.426 1.734 0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.258 0.374 -2.115 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.886 -0.105 -0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.735 1.978 -1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.003 3.521 -1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.289 2.590 -2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.632 -1.529 -1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.273 -0.588 -0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.650 -0.101 -1.727 1.00 0.00 H new ATOM 805 N PHE A 56 -8.389 4.941 -0.511 1.00 0.00 N ATOM 806 CA PHE A 56 -8.591 6.308 -0.045 1.00 0.00 C ATOM 807 C PHE A 56 -9.274 7.153 -1.117 1.00 0.00 C ATOM 808 O PHE A 56 -8.838 7.190 -2.267 1.00 0.00 O ATOM 809 CB PHE A 56 -7.252 6.940 0.341 1.00 0.00 C ATOM 810 CG PHE A 56 -7.392 8.149 1.223 1.00 0.00 C ATOM 811 CD1 PHE A 56 -7.878 8.027 2.515 1.00 0.00 C ATOM 812 CD2 PHE A 56 -7.037 9.405 0.759 1.00 0.00 C ATOM 813 CE1 PHE A 56 -8.008 9.138 3.327 1.00 0.00 C ATOM 814 CE2 PHE A 56 -7.165 10.519 1.568 1.00 0.00 C ATOM 815 CZ PHE A 56 -7.650 10.385 2.854 1.00 0.00 C ATOM 0 H PHE A 56 -7.866 4.866 -1.383 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.237 6.275 0.833 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.642 6.196 0.853 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.717 7.222 -0.566 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.158 7.054 2.891 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.656 9.515 -0.246 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.390 9.031 4.332 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.886 11.493 1.194 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.749 11.253 3.488 1.00 0.00 H new ATOM 825 N LYS A 57 -10.350 7.830 -0.730 1.00 0.00 N ATOM 826 CA LYS A 57 -11.096 8.675 -1.655 1.00 0.00 C ATOM 827 C LYS A 57 -11.627 7.860 -2.830 1.00 0.00 C ATOM 828 O LYS A 57 -11.602 8.313 -3.974 1.00 0.00 O ATOM 829 CB LYS A 57 -10.208 9.811 -2.169 1.00 0.00 C ATOM 830 CG LYS A 57 -10.259 11.060 -1.305 1.00 0.00 C ATOM 831 CD LYS A 57 -9.461 12.197 -1.922 1.00 0.00 C ATOM 832 CE LYS A 57 -7.965 11.997 -1.729 1.00 0.00 C ATOM 833 NZ LYS A 57 -7.406 11.019 -2.703 1.00 0.00 N ATOM 0 H LYS A 57 -10.725 7.810 0.218 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.944 9.099 -1.117 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.178 9.459 -2.224 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.512 10.068 -3.184 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.295 11.371 -1.174 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.866 10.834 -0.314 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.686 12.265 -2.986 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.764 13.142 -1.471 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.453 12.953 -1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.773 11.649 -0.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.380 11.164 -2.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.592 10.052 -2.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.855 11.157 -3.631 1.00 0.00 H new ATOM 847 N GLY A 58 -12.108 6.655 -2.539 1.00 0.00 N ATOM 848 CA GLY A 58 -12.640 5.797 -3.582 1.00 0.00 C ATOM 849 C GLY A 58 -11.566 5.310 -4.535 1.00 0.00 C ATOM 850 O GLY A 58 -11.866 4.835 -5.630 1.00 0.00 O ATOM 0 H GLY A 58 -12.139 6.258 -1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.133 4.939 -3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.400 6.341 -4.143 1.00 0.00 H new ATOM 854 N LYS A 59 -10.310 5.429 -4.119 1.00 0.00 N ATOM 855 CA LYS A 59 -9.187 4.998 -4.943 1.00 0.00 C ATOM 856 C LYS A 59 -8.360 3.938 -4.223 1.00 0.00 C ATOM 857 O LYS A 59 -7.942 4.132 -3.082 1.00 0.00 O ATOM 858 CB LYS A 59 -8.301 6.194 -5.301 1.00 0.00 C ATOM 859 CG LYS A 59 -8.846 7.033 -6.444 1.00 0.00 C ATOM 860 CD LYS A 59 -8.353 6.530 -7.790 1.00 0.00 C ATOM 861 CE LYS A 59 -9.252 5.433 -8.339 1.00 0.00 C ATOM 862 NZ LYS A 59 -9.231 5.392 -9.827 1.00 0.00 N ATOM 0 H LYS A 59 -10.044 5.821 -3.216 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.587 4.563 -5.859 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.185 6.826 -4.421 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.308 5.833 -5.568 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.936 7.013 -6.424 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.544 8.072 -6.310 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.315 7.358 -8.497 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.336 6.151 -7.688 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.931 4.469 -7.945 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.273 5.594 -7.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.856 4.631 -10.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.561 6.303 -10.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.261 5.213 -10.156 1.00 0.00 H new ATOM 876 N SER A 60 -8.126 2.817 -4.898 1.00 0.00 N ATOM 877 CA SER A 60 -7.351 1.725 -4.322 1.00 0.00 C ATOM 878 C SER A 60 -5.859 2.041 -4.355 1.00 0.00 C ATOM 879 O SER A 60 -5.273 2.217 -5.424 1.00 0.00 O ATOM 880 CB SER A 60 -7.624 0.423 -5.077 1.00 0.00 C ATOM 881 OG SER A 60 -9.016 0.216 -5.251 1.00 0.00 O ATOM 0 H SER A 60 -8.462 2.641 -5.845 1.00 0.00 H new ATOM 0 HA SER A 60 -7.657 1.605 -3.283 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.133 0.453 -6.050 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.194 -0.416 -4.529 1.00 0.00 H new ATOM 0 HG SER A 60 -9.164 -0.622 -5.738 1.00 0.00 H new ATOM 887 N LEU A 61 -5.250 2.113 -3.176 1.00 0.00 N ATOM 888 CA LEU A 61 -3.825 2.408 -3.068 1.00 0.00 C ATOM 889 C LEU A 61 -2.987 1.184 -3.421 1.00 0.00 C ATOM 890 O LEU A 61 -3.077 0.146 -2.765 1.00 0.00 O ATOM 891 CB LEU A 61 -3.488 2.881 -1.653 1.00 0.00 C ATOM 892 CG LEU A 61 -4.510 3.809 -0.994 1.00 0.00 C ATOM 893 CD1 LEU A 61 -3.989 4.312 0.343 1.00 0.00 C ATOM 894 CD2 LEU A 61 -4.840 4.976 -1.913 1.00 0.00 C ATOM 0 H LEU A 61 -5.720 1.971 -2.282 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.589 3.203 -3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.362 2.004 -1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.527 3.394 -1.682 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.424 3.243 -0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.729 4.971 0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.803 3.465 1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.061 4.862 0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.568 5.626 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.932 5.542 -2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.256 4.598 -2.847 1.00 0.00 H new ATOM 906 N LYS A 62 -2.169 1.312 -4.460 1.00 0.00 N ATOM 907 CA LYS A 62 -1.310 0.218 -4.899 1.00 0.00 C ATOM 908 C LYS A 62 0.152 0.651 -4.926 1.00 0.00 C ATOM 909 O LYS A 62 1.039 -0.105 -4.533 1.00 0.00 O ATOM 910 CB LYS A 62 -1.737 -0.267 -6.286 1.00 0.00 C ATOM 911 CG LYS A 62 -1.908 0.855 -7.296 1.00 0.00 C ATOM 912 CD LYS A 62 -2.910 0.484 -8.377 1.00 0.00 C ATOM 913 CE LYS A 62 -4.319 0.915 -8.001 1.00 0.00 C ATOM 914 NZ LYS A 62 -4.468 2.397 -8.012 1.00 0.00 N ATOM 0 H LYS A 62 -2.083 2.164 -5.015 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.414 -0.601 -4.187 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.994 -0.971 -6.660 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.677 -0.812 -6.198 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.241 1.758 -6.785 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.946 1.084 -7.754 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.623 0.954 -9.318 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.889 -0.594 -8.540 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.032 0.473 -8.697 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.563 0.533 -7.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.811 2.718 -7.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.547 2.837 -8.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.150 2.672 -8.747 1.00 0.00 H new ATOM 928 N GLU A 63 0.394 1.872 -5.393 1.00 0.00 N ATOM 929 CA GLU A 63 1.749 2.405 -5.471 1.00 0.00 C ATOM 930 C GLU A 63 2.348 2.574 -4.077 1.00 0.00 C ATOM 931 O GLU A 63 1.791 3.272 -3.231 1.00 0.00 O ATOM 932 CB GLU A 63 1.752 3.747 -6.205 1.00 0.00 C ATOM 933 CG GLU A 63 1.931 3.618 -7.708 1.00 0.00 C ATOM 934 CD GLU A 63 0.676 3.128 -8.405 1.00 0.00 C ATOM 935 OE1 GLU A 63 -0.399 3.719 -8.175 1.00 0.00 O ATOM 936 OE2 GLU A 63 0.770 2.152 -9.179 1.00 0.00 O ATOM 0 H GLU A 63 -0.330 2.510 -5.723 1.00 0.00 H new ATOM 0 HA GLU A 63 2.360 1.694 -6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.814 4.265 -6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.552 4.369 -5.804 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.217 4.586 -8.120 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.750 2.929 -7.915 1.00 0.00 H new ATOM 943 N MET A 64 3.487 1.928 -3.847 1.00 0.00 N ATOM 944 CA MET A 64 4.162 2.007 -2.557 1.00 0.00 C ATOM 945 C MET A 64 5.085 3.220 -2.500 1.00 0.00 C ATOM 946 O MET A 64 5.215 3.862 -1.458 1.00 0.00 O ATOM 947 CB MET A 64 4.963 0.729 -2.298 1.00 0.00 C ATOM 948 CG MET A 64 4.130 -0.539 -2.385 1.00 0.00 C ATOM 949 SD MET A 64 3.360 -0.974 -0.813 1.00 0.00 S ATOM 950 CE MET A 64 1.628 -0.762 -1.215 1.00 0.00 C ATOM 0 H MET A 64 3.961 1.345 -4.537 1.00 0.00 H new ATOM 0 HA MET A 64 3.402 2.114 -1.783 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.778 0.669 -3.019 1.00 0.00 H new ATOM 0 HB3 MET A 64 5.417 0.789 -1.309 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.355 -0.409 -3.141 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.763 -1.363 -2.715 1.00 0.00 H new ATOM 0 HE1 MET A 64 1.061 -0.589 -0.300 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.511 0.092 -1.882 1.00 0.00 H new ATOM 0 HE3 MET A 64 1.256 -1.660 -1.708 1.00 0.00 H new ATOM 960 N GLU A 65 5.723 3.526 -3.625 1.00 0.00 N ATOM 961 CA GLU A 65 6.634 4.662 -3.701 1.00 0.00 C ATOM 962 C GLU A 65 5.867 5.980 -3.645 1.00 0.00 C ATOM 963 O GLU A 65 6.457 7.050 -3.489 1.00 0.00 O ATOM 964 CB GLU A 65 7.463 4.595 -4.985 1.00 0.00 C ATOM 965 CG GLU A 65 8.595 3.584 -4.927 1.00 0.00 C ATOM 966 CD GLU A 65 9.636 3.812 -6.006 1.00 0.00 C ATOM 967 OE1 GLU A 65 10.416 4.780 -5.883 1.00 0.00 O ATOM 968 OE2 GLU A 65 9.671 3.023 -6.973 1.00 0.00 O ATOM 0 H GLU A 65 5.626 3.004 -4.496 1.00 0.00 H new ATOM 0 HA GLU A 65 7.304 4.615 -2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.807 4.345 -5.819 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.878 5.581 -5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.073 3.635 -3.949 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.185 2.579 -5.029 1.00 0.00 H new ATOM 975 N THR A 66 4.546 5.895 -3.775 1.00 0.00 N ATOM 976 CA THR A 66 3.697 7.079 -3.742 1.00 0.00 C ATOM 977 C THR A 66 3.541 7.604 -2.319 1.00 0.00 C ATOM 978 O THR A 66 3.215 6.864 -1.391 1.00 0.00 O ATOM 979 CB THR A 66 2.302 6.787 -4.325 1.00 0.00 C ATOM 980 OG1 THR A 66 2.389 6.623 -5.745 1.00 0.00 O ATOM 981 CG2 THR A 66 1.332 7.912 -3.997 1.00 0.00 C ATOM 0 H THR A 66 4.042 5.018 -3.904 1.00 0.00 H new ATOM 0 HA THR A 66 4.187 7.836 -4.354 1.00 0.00 H new ATOM 0 HB THR A 66 1.930 5.866 -3.876 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.498 6.436 -6.108 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.353 7.683 -4.419 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.246 8.014 -2.915 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.701 8.846 -4.421 1.00 0.00 H new ATOM 989 N PRO A 67 3.779 8.912 -2.141 1.00 0.00 N ATOM 990 CA PRO A 67 3.669 9.566 -0.833 1.00 0.00 C ATOM 991 C PRO A 67 2.226 9.662 -0.352 1.00 0.00 C ATOM 992 O PRO A 67 1.358 10.175 -1.060 1.00 0.00 O ATOM 993 CB PRO A 67 4.244 10.962 -1.085 1.00 0.00 C ATOM 994 CG PRO A 67 4.039 11.199 -2.541 1.00 0.00 C ATOM 995 CD PRO A 67 4.172 9.854 -3.202 1.00 0.00 C ATOM 0 HA PRO A 67 4.191 9.010 -0.054 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.732 11.715 -0.485 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.301 11.008 -0.821 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.057 11.632 -2.731 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.777 11.900 -2.930 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.524 9.769 -4.075 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.191 9.673 -3.543 1.00 0.00 H new ATOM 1003 N LEU A 68 1.975 9.167 0.855 1.00 0.00 N ATOM 1004 CA LEU A 68 0.635 9.198 1.431 1.00 0.00 C ATOM 1005 C LEU A 68 0.042 10.601 1.355 1.00 0.00 C ATOM 1006 O LEU A 68 -1.177 10.769 1.307 1.00 0.00 O ATOM 1007 CB LEU A 68 0.673 8.726 2.885 1.00 0.00 C ATOM 1008 CG LEU A 68 1.279 7.343 3.126 1.00 0.00 C ATOM 1009 CD1 LEU A 68 1.929 7.277 4.499 1.00 0.00 C ATOM 1010 CD2 LEU A 68 0.216 6.263 2.986 1.00 0.00 C ATOM 0 H LEU A 68 2.682 8.739 1.454 1.00 0.00 H new ATOM 0 HA LEU A 68 0.002 8.524 0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.237 9.454 3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.346 8.727 3.273 1.00 0.00 H new ATOM 0 HG LEU A 68 2.048 7.169 2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.355 6.285 4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.719 8.025 4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.180 7.473 5.266 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.665 5.285 3.161 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.575 6.434 3.716 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.205 6.295 1.981 1.00 0.00 H new ATOM 1022 N SER A 69 0.912 11.606 1.343 1.00 0.00 N ATOM 1023 CA SER A 69 0.474 12.995 1.275 1.00 0.00 C ATOM 1024 C SER A 69 -0.164 13.298 -0.077 1.00 0.00 C ATOM 1025 O SER A 69 -1.155 14.023 -0.160 1.00 0.00 O ATOM 1026 CB SER A 69 1.656 13.937 1.515 1.00 0.00 C ATOM 1027 OG SER A 69 1.227 15.285 1.588 1.00 0.00 O ATOM 0 H SER A 69 1.924 11.484 1.379 1.00 0.00 H new ATOM 0 HA SER A 69 -0.272 13.153 2.054 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.162 13.662 2.441 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.382 13.826 0.710 1.00 0.00 H new ATOM 0 HG SER A 69 2.000 15.866 1.743 1.00 0.00 H new ATOM 1033 N ALA A 70 0.411 12.736 -1.135 1.00 0.00 N ATOM 1034 CA ALA A 70 -0.102 12.944 -2.484 1.00 0.00 C ATOM 1035 C ALA A 70 -1.537 12.444 -2.608 1.00 0.00 C ATOM 1036 O ALA A 70 -2.341 13.012 -3.347 1.00 0.00 O ATOM 1037 CB ALA A 70 0.791 12.248 -3.501 1.00 0.00 C ATOM 0 H ALA A 70 1.232 12.133 -1.084 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.099 14.015 -2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.396 12.411 -4.504 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.800 12.655 -3.437 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.817 11.179 -3.291 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.852 11.377 -1.881 1.00 0.00 N ATOM 1044 CA LEU A 71 -3.191 10.800 -1.910 1.00 0.00 C ATOM 1045 C LEU A 71 -4.157 11.621 -1.061 1.00 0.00 C ATOM 1046 O LEU A 71 -5.368 11.592 -1.276 1.00 0.00 O ATOM 1047 CB LEU A 71 -3.156 9.355 -1.410 1.00 0.00 C ATOM 1048 CG LEU A 71 -2.229 8.405 -2.168 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -1.871 7.206 -1.304 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -2.877 7.952 -3.469 1.00 0.00 C ATOM 0 H LEU A 71 -1.198 10.894 -1.265 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.543 10.813 -2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.858 9.362 -0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.168 8.953 -1.451 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.311 8.940 -2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.211 6.541 -1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.366 7.547 -0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.780 6.670 -1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.203 7.276 -3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.811 7.435 -3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.082 8.820 -4.095 1.00 0.00 H new ATOM 1062 N GLY A 72 -3.611 12.354 -0.095 1.00 0.00 N ATOM 1063 CA GLY A 72 -4.438 13.175 0.770 1.00 0.00 C ATOM 1064 C GLY A 72 -4.462 12.669 2.199 1.00 0.00 C ATOM 1065 O GLY A 72 -4.979 13.339 3.093 1.00 0.00 O ATOM 0 H GLY A 72 -2.611 12.394 0.104 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.067 14.200 0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.455 13.199 0.379 1.00 0.00 H new ATOM 1069 N ILE A 73 -3.902 11.483 2.414 1.00 0.00 N ATOM 1070 CA ILE A 73 -3.861 10.888 3.745 1.00 0.00 C ATOM 1071 C ILE A 73 -2.817 11.572 4.621 1.00 0.00 C ATOM 1072 O ILE A 73 -1.622 11.520 4.333 1.00 0.00 O ATOM 1073 CB ILE A 73 -3.552 9.381 3.678 1.00 0.00 C ATOM 1074 CG1 ILE A 73 -4.665 8.643 2.931 1.00 0.00 C ATOM 1075 CG2 ILE A 73 -3.380 8.813 5.079 1.00 0.00 C ATOM 1076 CD1 ILE A 73 -4.221 7.327 2.332 1.00 0.00 C ATOM 0 H ILE A 73 -3.471 10.915 1.684 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.848 11.029 4.185 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.619 9.240 3.133 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.492 8.460 3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.046 9.285 2.136 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.162 7.747 5.015 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.557 9.322 5.580 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.298 8.962 5.647 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.061 6.859 1.818 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.414 7.505 1.621 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.868 6.667 3.125 1.00 0.00 H new ATOM 1088 N GLN A 74 -3.278 12.210 5.692 1.00 0.00 N ATOM 1089 CA GLN A 74 -2.383 12.902 6.612 1.00 0.00 C ATOM 1090 C GLN A 74 -2.780 12.639 8.060 1.00 0.00 C ATOM 1091 O GLN A 74 -3.888 12.179 8.336 1.00 0.00 O ATOM 1092 CB GLN A 74 -2.394 14.406 6.332 1.00 0.00 C ATOM 1093 CG GLN A 74 -1.385 14.838 5.281 1.00 0.00 C ATOM 1094 CD GLN A 74 -1.679 16.215 4.720 1.00 0.00 C ATOM 1095 OE1 GLN A 74 -0.844 17.118 4.792 1.00 0.00 O ATOM 1096 NE2 GLN A 74 -2.870 16.384 4.158 1.00 0.00 N ATOM 0 H GLN A 74 -4.265 12.262 5.944 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.375 12.518 6.456 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.392 14.699 6.007 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.191 14.941 7.260 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -0.387 14.834 5.718 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.380 14.112 4.468 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.531 15.608 4.120 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.124 17.290 3.764 1.00 0.00 H new ATOM 1105 N ASP A 75 -1.869 12.933 8.981 1.00 0.00 N ATOM 1106 CA ASP A 75 -2.125 12.729 10.402 1.00 0.00 C ATOM 1107 C ASP A 75 -3.508 13.248 10.786 1.00 0.00 C ATOM 1108 O ASP A 75 -3.723 14.454 10.890 1.00 0.00 O ATOM 1109 CB ASP A 75 -1.054 13.429 11.241 1.00 0.00 C ATOM 1110 CG ASP A 75 -1.444 13.540 12.702 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -1.128 12.610 13.472 1.00 0.00 O ATOM 1112 OD2 ASP A 75 -2.067 14.557 13.074 1.00 0.00 O ATOM 0 H ASP A 75 -0.947 13.313 8.769 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.090 11.658 10.601 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.116 12.880 11.159 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.876 14.426 10.839 1.00 0.00 H new ATOM 1117 N GLY A 76 -4.444 12.326 10.993 1.00 0.00 N ATOM 1118 CA GLY A 76 -5.794 12.709 11.361 1.00 0.00 C ATOM 1119 C GLY A 76 -6.813 12.331 10.304 1.00 0.00 C ATOM 1120 O GLY A 76 -7.848 12.984 10.168 1.00 0.00 O ATOM 0 H GLY A 76 -4.291 11.321 10.912 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.059 12.231 12.304 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.830 13.786 11.528 1.00 0.00 H new ATOM 1124 N CYS A 77 -6.519 11.275 9.553 1.00 0.00 N ATOM 1125 CA CYS A 77 -7.416 10.811 8.501 1.00 0.00 C ATOM 1126 C CYS A 77 -7.803 9.352 8.719 1.00 0.00 C ATOM 1127 O CYS A 77 -7.150 8.634 9.477 1.00 0.00 O ATOM 1128 CB CYS A 77 -6.758 10.978 7.131 1.00 0.00 C ATOM 1129 SG CYS A 77 -6.679 12.689 6.553 1.00 0.00 S ATOM 0 H CYS A 77 -5.666 10.724 9.653 1.00 0.00 H new ATOM 0 HA CYS A 77 -8.322 11.416 8.537 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.747 10.573 7.174 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -7.308 10.384 6.401 1.00 0.00 H new ATOM 0 HG CYS A 77 -6.104 12.727 5.388 1.00 0.00 H new ATOM 1135 N ARG A 78 -8.868 8.921 8.052 1.00 0.00 N ATOM 1136 CA ARG A 78 -9.343 7.548 8.176 1.00 0.00 C ATOM 1137 C ARG A 78 -9.361 6.855 6.817 1.00 0.00 C ATOM 1138 O ARG A 78 -10.117 7.237 5.923 1.00 0.00 O ATOM 1139 CB ARG A 78 -10.744 7.524 8.791 1.00 0.00 C ATOM 1140 CG ARG A 78 -10.741 7.456 10.309 1.00 0.00 C ATOM 1141 CD ARG A 78 -12.091 7.853 10.887 1.00 0.00 C ATOM 1142 NE ARG A 78 -13.120 6.855 10.610 1.00 0.00 N ATOM 1143 CZ ARG A 78 -14.421 7.081 10.756 1.00 0.00 C ATOM 1144 NH1 ARG A 78 -14.849 8.264 11.174 1.00 0.00 N ATOM 1145 NH2 ARG A 78 -15.297 6.122 10.483 1.00 0.00 N ATOM 0 H ARG A 78 -9.419 9.502 7.420 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.657 7.010 8.830 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.285 8.417 8.477 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.289 6.666 8.398 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.490 6.444 10.629 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.967 8.115 10.702 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.998 7.988 11.965 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.396 8.813 10.470 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.824 5.934 10.287 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.179 9.004 11.384 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.848 8.435 11.285 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.972 5.211 10.161 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -16.296 6.296 10.595 1.00 0.00 H new ATOM 1159 N VAL A 79 -8.523 5.834 6.668 1.00 0.00 N ATOM 1160 CA VAL A 79 -8.443 5.087 5.419 1.00 0.00 C ATOM 1161 C VAL A 79 -9.157 3.745 5.534 1.00 0.00 C ATOM 1162 O VAL A 79 -9.237 3.164 6.616 1.00 0.00 O ATOM 1163 CB VAL A 79 -6.979 4.843 5.004 1.00 0.00 C ATOM 1164 CG1 VAL A 79 -6.915 4.172 3.640 1.00 0.00 C ATOM 1165 CG2 VAL A 79 -6.202 6.150 5.001 1.00 0.00 C ATOM 0 H VAL A 79 -7.890 5.505 7.397 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.934 5.692 4.657 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.519 4.175 5.733 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.873 4.008 3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.435 3.215 3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.391 4.812 2.897 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.170 5.959 4.706 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.659 6.843 4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.219 6.586 6.000 1.00 0.00 H new ATOM 1175 N MET A 80 -9.675 3.258 4.411 1.00 0.00 N ATOM 1176 CA MET A 80 -10.382 1.983 4.386 1.00 0.00 C ATOM 1177 C MET A 80 -9.447 0.851 3.974 1.00 0.00 C ATOM 1178 O MET A 80 -8.645 0.999 3.051 1.00 0.00 O ATOM 1179 CB MET A 80 -11.570 2.053 3.425 1.00 0.00 C ATOM 1180 CG MET A 80 -12.202 0.701 3.140 1.00 0.00 C ATOM 1181 SD MET A 80 -13.833 0.841 2.383 1.00 0.00 S ATOM 1182 CE MET A 80 -14.486 -0.800 2.679 1.00 0.00 C ATOM 0 H MET A 80 -9.618 3.727 3.507 1.00 0.00 H new ATOM 0 HA MET A 80 -10.749 1.780 5.392 1.00 0.00 H new ATOM 0 HB2 MET A 80 -12.326 2.717 3.843 1.00 0.00 H new ATOM 0 HB3 MET A 80 -11.241 2.496 2.485 1.00 0.00 H new ATOM 0 HG2 MET A 80 -11.548 0.130 2.481 1.00 0.00 H new ATOM 0 HG3 MET A 80 -12.285 0.140 4.071 1.00 0.00 H new ATOM 0 HE1 MET A 80 -15.221 -1.043 1.911 1.00 0.00 H new ATOM 0 HE2 MET A 80 -13.674 -1.526 2.647 1.00 0.00 H new ATOM 0 HE3 MET A 80 -14.962 -0.831 3.659 1.00 0.00 H new ATOM 1192 N LEU A 81 -9.554 -0.280 4.663 1.00 0.00 N ATOM 1193 CA LEU A 81 -8.717 -1.438 4.369 1.00 0.00 C ATOM 1194 C LEU A 81 -9.560 -2.704 4.256 1.00 0.00 C ATOM 1195 O LEU A 81 -10.367 -3.005 5.136 1.00 0.00 O ATOM 1196 CB LEU A 81 -7.655 -1.613 5.456 1.00 0.00 C ATOM 1197 CG LEU A 81 -6.635 -2.729 5.224 1.00 0.00 C ATOM 1198 CD1 LEU A 81 -5.682 -2.356 4.100 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -5.865 -3.022 6.504 1.00 0.00 C ATOM 0 H LEU A 81 -10.212 -0.420 5.429 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.224 -1.266 3.412 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.116 -0.672 5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.161 -1.801 6.403 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.172 -3.631 4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.964 -3.162 3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.247 -2.197 3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.151 -1.441 4.362 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.144 -3.818 6.321 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.339 -2.123 6.826 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.560 -3.334 7.283 1.00 0.00 H new ATOM 1211 N ILE A 82 -9.365 -3.443 3.169 1.00 0.00 N ATOM 1212 CA ILE A 82 -10.105 -4.678 2.943 1.00 0.00 C ATOM 1213 C ILE A 82 -9.173 -5.885 2.944 1.00 0.00 C ATOM 1214 O ILE A 82 -8.177 -5.914 2.223 1.00 0.00 O ATOM 1215 CB ILE A 82 -10.873 -4.638 1.610 1.00 0.00 C ATOM 1216 CG1 ILE A 82 -11.862 -3.470 1.600 1.00 0.00 C ATOM 1217 CG2 ILE A 82 -11.599 -5.955 1.377 1.00 0.00 C ATOM 1218 CD1 ILE A 82 -12.613 -3.325 0.295 1.00 0.00 C ATOM 0 H ILE A 82 -8.701 -3.208 2.431 1.00 0.00 H new ATOM 0 HA ILE A 82 -10.819 -4.772 3.761 1.00 0.00 H new ATOM 0 HB ILE A 82 -10.158 -4.491 0.801 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -12.579 -3.605 2.410 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.322 -2.545 1.804 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.138 -5.911 0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -10.875 -6.769 1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -12.305 -6.130 2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -13.296 -2.478 0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -11.904 -3.158 -0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.181 -4.234 0.099 1.00 0.00 H new ATOM 1230 N GLY A 83 -9.505 -6.882 3.759 1.00 0.00 N ATOM 1231 CA GLY A 83 -8.688 -8.079 3.838 1.00 0.00 C ATOM 1232 C GLY A 83 -9.290 -9.133 4.747 1.00 0.00 C ATOM 1233 O GLY A 83 -10.307 -8.895 5.398 1.00 0.00 O ATOM 0 H GLY A 83 -10.325 -6.882 4.366 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.561 -8.495 2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.695 -7.814 4.202 1.00 0.00 H new ATOM 1237 N LYS A 84 -8.660 -10.302 4.792 1.00 0.00 N ATOM 1238 CA LYS A 84 -9.139 -11.397 5.627 1.00 0.00 C ATOM 1239 C LYS A 84 -8.114 -11.751 6.700 1.00 0.00 C ATOM 1240 O LYS A 84 -7.261 -12.616 6.497 1.00 0.00 O ATOM 1241 CB LYS A 84 -9.439 -12.628 4.768 1.00 0.00 C ATOM 1242 CG LYS A 84 -10.374 -13.622 5.435 1.00 0.00 C ATOM 1243 CD LYS A 84 -10.545 -14.876 4.596 1.00 0.00 C ATOM 1244 CE LYS A 84 -11.452 -14.628 3.400 1.00 0.00 C ATOM 1245 NZ LYS A 84 -11.511 -15.808 2.494 1.00 0.00 N ATOM 0 H LYS A 84 -7.816 -10.515 4.260 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.056 -11.072 6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.879 -12.304 3.825 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -8.502 -13.129 4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -9.982 -13.890 6.416 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.346 -13.156 5.597 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -9.570 -15.219 4.250 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -10.963 -15.673 5.212 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -12.456 -14.388 3.749 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -11.092 -13.762 2.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.139 -15.599 1.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.557 -16.022 2.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -11.878 -16.629 3.016 1.00 0.00 H new