USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 577 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 71 GLN : amide:sc= -4.31! C(o=-11!,f=-13!) USER MOD Set 1.2: A 75 HIS : no HD1:sc= -6.97! C(o=-11!,f=-15!) USER MOD Single : A 8 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.37) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= -2.67! USER MOD Single : A 41 LYS NZ :NH3+ 162:sc= 0.0661 (180deg=0.0166) USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0376) USER MOD Single : A 46 SER OG : rot -150:sc= -0.924 USER MOD Single : A 50 ASN : amide:sc= -0.584 X(o=-0.58,f=-0.56!) USER MOD Single : A 51 THR OG1 : rot -150:sc= 0.0568 USER MOD Single : A 57 ASN : amide:sc= -0.252 K(o=-0.25,f=-3!) USER MOD Single : A 60 CYS SG : rot 30:sc= 0.47 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= -0.347 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -67:sc= 0.292 USER MOD Single : A 77 THR OG1 : rot -150:sc= -0.747 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 8 34.283 17.675 29.709 1.00 0.00 N ATOM 2 CA HIS A 8 34.530 16.240 30.031 1.00 0.00 C ATOM 3 C HIS A 8 34.547 15.422 28.738 1.00 0.00 C ATOM 4 O HIS A 8 35.592 15.130 28.192 1.00 0.00 O ATOM 5 CB HIS A 8 33.416 15.724 30.946 1.00 0.00 C ATOM 6 CG HIS A 8 33.996 15.356 32.284 1.00 0.00 C ATOM 7 ND1 HIS A 8 35.121 14.556 32.407 1.00 0.00 N ATOM 8 CD2 HIS A 8 33.617 15.670 33.566 1.00 0.00 C ATOM 9 CE1 HIS A 8 35.378 14.418 33.721 1.00 0.00 C ATOM 10 NE2 HIS A 8 34.492 15.077 34.472 1.00 0.00 N ATOM 0 HA HIS A 8 35.491 16.141 30.536 1.00 0.00 H new ATOM 0 HB2 HIS A 8 32.648 16.488 31.068 1.00 0.00 H new ATOM 0 HB3 HIS A 8 32.934 14.856 30.496 1.00 0.00 H new ATOM 0 HD2 HIS A 8 32.769 16.284 33.831 1.00 0.00 H new ATOM 0 HE1 HIS A 8 36.201 13.844 34.120 1.00 0.00 H new ATOM 0 HE2 HIS A 8 34.463 15.134 35.490 1.00 0.00 H new ATOM 20 N MET A 9 33.398 15.051 28.245 1.00 0.00 N ATOM 21 CA MET A 9 33.351 14.252 26.988 1.00 0.00 C ATOM 22 C MET A 9 33.035 15.174 25.808 1.00 0.00 C ATOM 23 O MET A 9 32.905 16.372 25.961 1.00 0.00 O ATOM 24 CB MET A 9 32.264 13.181 27.103 1.00 0.00 C ATOM 25 CG MET A 9 30.907 13.852 27.325 1.00 0.00 C ATOM 26 SD MET A 9 29.814 13.476 25.932 1.00 0.00 S ATOM 27 CE MET A 9 29.092 11.963 26.610 1.00 0.00 C ATOM 0 H MET A 9 32.490 15.266 28.658 1.00 0.00 H new ATOM 0 HA MET A 9 34.317 13.773 26.827 1.00 0.00 H new ATOM 0 HB2 MET A 9 32.238 12.575 26.197 1.00 0.00 H new ATOM 0 HB3 MET A 9 32.488 12.508 27.930 1.00 0.00 H new ATOM 0 HG2 MET A 9 30.463 13.499 28.256 1.00 0.00 H new ATOM 0 HG3 MET A 9 31.034 14.930 27.421 1.00 0.00 H new ATOM 0 HE1 MET A 9 28.374 11.553 25.900 1.00 0.00 H new ATOM 0 HE2 MET A 9 29.881 11.233 26.791 1.00 0.00 H new ATOM 0 HE3 MET A 9 28.586 12.190 27.548 1.00 0.00 H new ATOM 37 N VAL A 10 32.910 14.625 24.630 1.00 0.00 N ATOM 38 CA VAL A 10 32.603 15.470 23.443 1.00 0.00 C ATOM 39 C VAL A 10 31.086 15.595 23.285 1.00 0.00 C ATOM 40 O VAL A 10 30.488 14.973 22.429 1.00 0.00 O ATOM 41 CB VAL A 10 33.196 14.825 22.190 1.00 0.00 C ATOM 42 CG1 VAL A 10 34.722 14.927 22.236 1.00 0.00 C ATOM 43 CG2 VAL A 10 32.785 13.351 22.135 1.00 0.00 C ATOM 0 H VAL A 10 33.007 13.628 24.439 1.00 0.00 H new ATOM 0 HA VAL A 10 33.037 16.461 23.580 1.00 0.00 H new ATOM 0 HB VAL A 10 32.825 15.341 21.305 1.00 0.00 H new ATOM 0 HG11 VAL A 10 35.144 14.467 21.343 1.00 0.00 H new ATOM 0 HG12 VAL A 10 35.015 15.976 22.278 1.00 0.00 H new ATOM 0 HG13 VAL A 10 35.095 14.411 23.121 1.00 0.00 H new ATOM 0 HG21 VAL A 10 33.207 12.889 21.242 1.00 0.00 H new ATOM 0 HG22 VAL A 10 33.157 12.836 23.021 1.00 0.00 H new ATOM 0 HG23 VAL A 10 31.698 13.277 22.103 1.00 0.00 H new ATOM 53 N GLU A 11 30.460 16.396 24.103 1.00 0.00 N ATOM 54 CA GLU A 11 28.982 16.561 23.999 1.00 0.00 C ATOM 55 C GLU A 11 28.617 17.013 22.582 1.00 0.00 C ATOM 56 O GLU A 11 29.442 17.526 21.853 1.00 0.00 O ATOM 57 CB GLU A 11 28.516 17.616 25.006 1.00 0.00 C ATOM 58 CG GLU A 11 29.144 18.966 24.659 1.00 0.00 C ATOM 59 CD GLU A 11 28.163 20.089 25.000 1.00 0.00 C ATOM 60 OE1 GLU A 11 26.978 19.900 24.783 1.00 0.00 O ATOM 61 OE2 GLU A 11 28.614 21.120 25.472 1.00 0.00 O ATOM 0 H GLU A 11 30.907 16.943 24.838 1.00 0.00 H new ATOM 0 HA GLU A 11 28.494 15.611 24.214 1.00 0.00 H new ATOM 0 HB2 GLU A 11 27.429 17.694 24.990 1.00 0.00 H new ATOM 0 HB3 GLU A 11 28.800 17.320 26.016 1.00 0.00 H new ATOM 0 HG2 GLU A 11 30.073 19.100 25.213 1.00 0.00 H new ATOM 0 HG3 GLU A 11 29.397 18.999 23.599 1.00 0.00 H new ATOM 68 N GLU A 12 27.387 16.827 22.189 1.00 0.00 N ATOM 69 CA GLU A 12 26.970 17.246 20.821 1.00 0.00 C ATOM 70 C GLU A 12 26.191 18.560 20.904 1.00 0.00 C ATOM 71 O GLU A 12 26.118 19.185 21.943 1.00 0.00 O ATOM 72 CB GLU A 12 26.081 16.163 20.203 1.00 0.00 C ATOM 73 CG GLU A 12 26.955 15.137 19.479 1.00 0.00 C ATOM 74 CD GLU A 12 27.556 14.167 20.497 1.00 0.00 C ATOM 75 OE1 GLU A 12 28.447 14.577 21.222 1.00 0.00 O ATOM 76 OE2 GLU A 12 27.113 13.031 20.537 1.00 0.00 O ATOM 0 H GLU A 12 26.653 16.403 22.756 1.00 0.00 H new ATOM 0 HA GLU A 12 27.855 17.387 20.200 1.00 0.00 H new ATOM 0 HB2 GLU A 12 25.494 15.673 20.979 1.00 0.00 H new ATOM 0 HB3 GLU A 12 25.375 16.612 19.505 1.00 0.00 H new ATOM 0 HG2 GLU A 12 26.361 14.590 18.747 1.00 0.00 H new ATOM 0 HG3 GLU A 12 27.749 15.643 18.931 1.00 0.00 H new ATOM 83 N VAL A 13 25.608 18.984 19.816 1.00 0.00 N ATOM 84 CA VAL A 13 24.833 20.257 19.834 1.00 0.00 C ATOM 85 C VAL A 13 23.642 20.143 18.882 1.00 0.00 C ATOM 86 O VAL A 13 23.447 19.134 18.234 1.00 0.00 O ATOM 87 CB VAL A 13 25.735 21.408 19.384 1.00 0.00 C ATOM 88 CG1 VAL A 13 26.701 21.772 20.513 1.00 0.00 C ATOM 89 CG2 VAL A 13 26.532 20.978 18.151 1.00 0.00 C ATOM 0 H VAL A 13 25.635 18.504 18.916 1.00 0.00 H new ATOM 0 HA VAL A 13 24.473 20.449 20.845 1.00 0.00 H new ATOM 0 HB VAL A 13 25.122 22.275 19.138 1.00 0.00 H new ATOM 0 HG11 VAL A 13 27.343 22.592 20.192 1.00 0.00 H new ATOM 0 HG12 VAL A 13 26.134 22.078 21.392 1.00 0.00 H new ATOM 0 HG13 VAL A 13 27.315 20.906 20.760 1.00 0.00 H new ATOM 0 HG21 VAL A 13 27.175 21.797 17.829 1.00 0.00 H new ATOM 0 HG22 VAL A 13 27.145 20.111 18.398 1.00 0.00 H new ATOM 0 HG23 VAL A 13 25.845 20.719 17.346 1.00 0.00 H new ATOM 99 N LEU A 14 22.841 21.170 18.792 1.00 0.00 N ATOM 100 CA LEU A 14 21.663 21.119 17.882 1.00 0.00 C ATOM 101 C LEU A 14 22.093 20.572 16.519 1.00 0.00 C ATOM 102 O LEU A 14 21.553 19.599 16.032 1.00 0.00 O ATOM 103 CB LEU A 14 21.092 22.527 17.708 1.00 0.00 C ATOM 104 CG LEU A 14 19.595 22.439 17.406 1.00 0.00 C ATOM 105 CD1 LEU A 14 18.929 23.777 17.731 1.00 0.00 C ATOM 106 CD2 LEU A 14 19.393 22.115 15.925 1.00 0.00 C ATOM 0 H LEU A 14 22.952 22.042 19.310 1.00 0.00 H new ATOM 0 HA LEU A 14 20.902 20.468 18.311 1.00 0.00 H new ATOM 0 HB2 LEU A 14 21.257 23.112 18.613 1.00 0.00 H new ATOM 0 HB3 LEU A 14 21.607 23.042 16.897 1.00 0.00 H new ATOM 0 HG LEU A 14 19.147 21.654 18.015 1.00 0.00 H new ATOM 0 HD11 LEU A 14 17.862 23.714 17.516 1.00 0.00 H new ATOM 0 HD12 LEU A 14 19.073 24.008 18.786 1.00 0.00 H new ATOM 0 HD13 LEU A 14 19.376 24.563 17.123 1.00 0.00 H new ATOM 0 HD21 LEU A 14 18.327 22.052 15.708 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.841 22.900 15.316 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.867 21.161 15.693 1.00 0.00 H new ATOM 118 N GLU A 15 23.060 21.191 15.899 1.00 0.00 N ATOM 119 CA GLU A 15 23.522 20.707 14.569 1.00 0.00 C ATOM 120 C GLU A 15 22.329 20.629 13.614 1.00 0.00 C ATOM 121 O GLU A 15 21.192 20.786 14.013 1.00 0.00 O ATOM 122 CB GLU A 15 24.147 19.319 14.719 1.00 0.00 C ATOM 123 CG GLU A 15 25.671 19.435 14.666 1.00 0.00 C ATOM 124 CD GLU A 15 26.189 18.790 13.379 1.00 0.00 C ATOM 125 OE1 GLU A 15 25.392 18.597 12.475 1.00 0.00 O ATOM 126 OE2 GLU A 15 27.372 18.501 13.319 1.00 0.00 O ATOM 0 H GLU A 15 23.550 22.011 16.257 1.00 0.00 H new ATOM 0 HA GLU A 15 24.265 21.397 14.169 1.00 0.00 H new ATOM 0 HB2 GLU A 15 23.839 18.870 15.663 1.00 0.00 H new ATOM 0 HB3 GLU A 15 23.794 18.662 13.924 1.00 0.00 H new ATOM 0 HG2 GLU A 15 25.968 20.483 14.705 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.114 18.946 15.534 1.00 0.00 H new ATOM 133 N GLU A 16 22.578 20.388 12.356 1.00 0.00 N ATOM 134 CA GLU A 16 21.456 20.301 11.379 1.00 0.00 C ATOM 135 C GLU A 16 21.342 18.867 10.859 1.00 0.00 C ATOM 136 O GLU A 16 22.135 18.010 11.194 1.00 0.00 O ATOM 137 CB GLU A 16 21.724 21.249 10.208 1.00 0.00 C ATOM 138 CG GLU A 16 23.210 21.207 9.846 1.00 0.00 C ATOM 139 CD GLU A 16 23.370 21.344 8.331 1.00 0.00 C ATOM 140 OE1 GLU A 16 22.551 20.792 7.615 1.00 0.00 O ATOM 141 OE2 GLU A 16 24.310 22.000 7.912 1.00 0.00 O ATOM 0 H GLU A 16 23.509 20.248 11.963 1.00 0.00 H new ATOM 0 HA GLU A 16 20.525 20.584 11.870 1.00 0.00 H new ATOM 0 HB2 GLU A 16 21.121 20.960 9.347 1.00 0.00 H new ATOM 0 HB3 GLU A 16 21.433 22.265 10.475 1.00 0.00 H new ATOM 0 HG2 GLU A 16 23.742 22.012 10.353 1.00 0.00 H new ATOM 0 HG3 GLU A 16 23.652 20.270 10.186 1.00 0.00 H new ATOM 148 N GLU A 17 20.360 18.599 10.041 1.00 0.00 N ATOM 149 CA GLU A 17 20.196 17.220 9.500 1.00 0.00 C ATOM 150 C GLU A 17 19.243 17.252 8.303 1.00 0.00 C ATOM 151 O GLU A 17 18.291 18.006 8.275 1.00 0.00 O ATOM 152 CB GLU A 17 19.619 16.310 10.587 1.00 0.00 C ATOM 153 CG GLU A 17 18.612 17.094 11.429 1.00 0.00 C ATOM 154 CD GLU A 17 17.676 16.120 12.145 1.00 0.00 C ATOM 155 OE1 GLU A 17 18.107 15.520 13.117 1.00 0.00 O ATOM 156 OE2 GLU A 17 16.544 15.990 11.711 1.00 0.00 O ATOM 0 H GLU A 17 19.665 19.275 9.724 1.00 0.00 H new ATOM 0 HA GLU A 17 21.166 16.837 9.183 1.00 0.00 H new ATOM 0 HB2 GLU A 17 19.134 15.446 10.133 1.00 0.00 H new ATOM 0 HB3 GLU A 17 20.420 15.930 11.220 1.00 0.00 H new ATOM 0 HG2 GLU A 17 19.135 17.713 12.157 1.00 0.00 H new ATOM 0 HG3 GLU A 17 18.036 17.767 10.793 1.00 0.00 H new ATOM 163 N GLU A 18 19.492 16.437 7.314 1.00 0.00 N ATOM 164 CA GLU A 18 18.600 16.420 6.121 1.00 0.00 C ATOM 165 C GLU A 18 17.850 15.088 6.064 1.00 0.00 C ATOM 166 O GLU A 18 17.638 14.529 5.007 1.00 0.00 O ATOM 167 CB GLU A 18 19.442 16.586 4.854 1.00 0.00 C ATOM 168 CG GLU A 18 20.770 15.846 5.022 1.00 0.00 C ATOM 169 CD GLU A 18 21.284 15.399 3.653 1.00 0.00 C ATOM 170 OE1 GLU A 18 20.490 14.882 2.885 1.00 0.00 O ATOM 171 OE2 GLU A 18 22.463 15.581 3.397 1.00 0.00 O ATOM 0 H GLU A 18 20.274 15.783 7.281 1.00 0.00 H new ATOM 0 HA GLU A 18 17.883 17.238 6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 18 18.902 16.194 3.992 1.00 0.00 H new ATOM 0 HB3 GLU A 18 19.625 17.643 4.662 1.00 0.00 H new ATOM 0 HG2 GLU A 18 21.502 16.496 5.502 1.00 0.00 H new ATOM 0 HG3 GLU A 18 20.636 14.981 5.672 1.00 0.00 H new ATOM 178 N GLU A 19 17.447 14.575 7.194 1.00 0.00 N ATOM 179 CA GLU A 19 16.711 13.279 7.204 1.00 0.00 C ATOM 180 C GLU A 19 15.206 13.547 7.264 1.00 0.00 C ATOM 181 O GLU A 19 14.632 13.680 8.326 1.00 0.00 O ATOM 182 CB GLU A 19 17.133 12.463 8.429 1.00 0.00 C ATOM 183 CG GLU A 19 18.660 12.421 8.513 1.00 0.00 C ATOM 184 CD GLU A 19 19.111 11.014 8.913 1.00 0.00 C ATOM 185 OE1 GLU A 19 18.352 10.086 8.691 1.00 0.00 O ATOM 186 OE2 GLU A 19 20.207 10.890 9.434 1.00 0.00 O ATOM 0 H GLU A 19 17.595 14.997 8.111 1.00 0.00 H new ATOM 0 HA GLU A 19 16.945 12.721 6.297 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.720 12.907 9.335 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.734 11.451 8.360 1.00 0.00 H new ATOM 0 HG2 GLU A 19 19.095 12.694 7.552 1.00 0.00 H new ATOM 0 HG3 GLU A 19 19.015 13.149 9.242 1.00 0.00 H new ATOM 193 N GLU A 20 14.563 13.626 6.132 1.00 0.00 N ATOM 194 CA GLU A 20 13.096 13.884 6.125 1.00 0.00 C ATOM 195 C GLU A 20 12.433 13.040 5.035 1.00 0.00 C ATOM 196 O GLU A 20 12.632 13.261 3.857 1.00 0.00 O ATOM 197 CB GLU A 20 12.840 15.367 5.848 1.00 0.00 C ATOM 198 CG GLU A 20 13.444 16.210 6.974 1.00 0.00 C ATOM 199 CD GLU A 20 12.976 17.659 6.834 1.00 0.00 C ATOM 200 OE1 GLU A 20 11.821 17.919 7.127 1.00 0.00 O ATOM 201 OE2 GLU A 20 13.781 18.485 6.436 1.00 0.00 O ATOM 0 H GLU A 20 14.990 13.523 5.211 1.00 0.00 H new ATOM 0 HA GLU A 20 12.677 13.617 7.095 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.280 15.650 4.892 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.769 15.554 5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.143 15.811 7.943 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.532 16.163 6.934 1.00 0.00 H new ATOM 208 N TYR A 21 11.645 12.073 5.418 1.00 0.00 N ATOM 209 CA TYR A 21 10.967 11.216 4.406 1.00 0.00 C ATOM 210 C TYR A 21 9.464 11.192 4.686 1.00 0.00 C ATOM 211 O TYR A 21 9.014 11.585 5.743 1.00 0.00 O ATOM 212 CB TYR A 21 11.525 9.793 4.486 1.00 0.00 C ATOM 213 CG TYR A 21 11.565 9.348 5.927 1.00 0.00 C ATOM 214 CD1 TYR A 21 10.384 8.967 6.577 1.00 0.00 C ATOM 215 CD2 TYR A 21 12.785 9.315 6.616 1.00 0.00 C ATOM 216 CE1 TYR A 21 10.422 8.553 7.915 1.00 0.00 C ATOM 217 CE2 TYR A 21 12.823 8.901 7.954 1.00 0.00 C ATOM 218 CZ TYR A 21 11.641 8.520 8.604 1.00 0.00 C ATOM 219 OH TYR A 21 11.679 8.113 9.921 1.00 0.00 O ATOM 0 H TYR A 21 11.441 11.839 6.390 1.00 0.00 H new ATOM 0 HA TYR A 21 11.145 11.619 3.409 1.00 0.00 H new ATOM 0 HB2 TYR A 21 10.904 9.114 3.902 1.00 0.00 H new ATOM 0 HB3 TYR A 21 12.526 9.759 4.056 1.00 0.00 H new ATOM 0 HD1 TYR A 21 9.444 8.992 6.046 1.00 0.00 H new ATOM 0 HD2 TYR A 21 13.696 9.609 6.116 1.00 0.00 H new ATOM 0 HE1 TYR A 21 9.511 8.259 8.415 1.00 0.00 H new ATOM 0 HE2 TYR A 21 13.763 8.875 8.485 1.00 0.00 H new ATOM 0 HH TYR A 21 12.602 8.148 10.248 1.00 0.00 H new ATOM 229 N VAL A 22 8.682 10.734 3.747 1.00 0.00 N ATOM 230 CA VAL A 22 7.209 10.689 3.963 1.00 0.00 C ATOM 231 C VAL A 22 6.584 9.658 3.019 1.00 0.00 C ATOM 232 O VAL A 22 7.213 9.191 2.091 1.00 0.00 O ATOM 233 CB VAL A 22 6.612 12.068 3.681 1.00 0.00 C ATOM 234 CG1 VAL A 22 5.097 12.022 3.891 1.00 0.00 C ATOM 235 CG2 VAL A 22 7.227 13.094 4.635 1.00 0.00 C ATOM 0 H VAL A 22 8.999 10.390 2.841 1.00 0.00 H new ATOM 0 HA VAL A 22 7.001 10.407 4.995 1.00 0.00 H new ATOM 0 HB VAL A 22 6.827 12.353 2.651 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.672 13.005 3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.658 11.291 3.212 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.881 11.737 4.921 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.802 14.078 4.435 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.012 12.808 5.665 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.306 13.128 4.486 1.00 0.00 H new ATOM 245 N VAL A 23 5.349 9.304 3.248 1.00 0.00 N ATOM 246 CA VAL A 23 4.683 8.308 2.364 1.00 0.00 C ATOM 247 C VAL A 23 3.804 9.043 1.352 1.00 0.00 C ATOM 248 O VAL A 23 3.012 9.893 1.707 1.00 0.00 O ATOM 249 CB VAL A 23 3.816 7.374 3.210 1.00 0.00 C ATOM 250 CG1 VAL A 23 3.475 6.121 2.402 1.00 0.00 C ATOM 251 CG2 VAL A 23 4.583 6.973 4.472 1.00 0.00 C ATOM 0 H VAL A 23 4.773 9.662 4.010 1.00 0.00 H new ATOM 0 HA VAL A 23 5.437 7.723 1.838 1.00 0.00 H new ATOM 0 HB VAL A 23 2.896 7.887 3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.857 5.456 3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.930 6.406 1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.395 5.607 2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.967 6.307 5.076 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.503 6.460 4.191 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.826 7.865 5.049 1.00 0.00 H new ATOM 261 N GLU A 24 3.937 8.725 0.094 1.00 0.00 N ATOM 262 CA GLU A 24 3.108 9.411 -0.935 1.00 0.00 C ATOM 263 C GLU A 24 1.833 8.604 -1.189 1.00 0.00 C ATOM 264 O GLU A 24 0.792 9.151 -1.493 1.00 0.00 O ATOM 265 CB GLU A 24 3.904 9.532 -2.235 1.00 0.00 C ATOM 266 CG GLU A 24 3.204 10.520 -3.172 1.00 0.00 C ATOM 267 CD GLU A 24 3.611 11.948 -2.806 1.00 0.00 C ATOM 268 OE1 GLU A 24 3.503 12.294 -1.641 1.00 0.00 O ATOM 269 OE2 GLU A 24 4.025 12.671 -3.698 1.00 0.00 O ATOM 0 H GLU A 24 4.582 8.021 -0.265 1.00 0.00 H new ATOM 0 HA GLU A 24 2.841 10.406 -0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.918 9.871 -2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.988 8.557 -2.715 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.472 10.308 -4.207 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.123 10.408 -3.094 1.00 0.00 H new ATOM 276 N LYS A 25 1.905 7.307 -1.065 1.00 0.00 N ATOM 277 CA LYS A 25 0.695 6.468 -1.298 1.00 0.00 C ATOM 278 C LYS A 25 1.101 4.996 -1.393 1.00 0.00 C ATOM 279 O LYS A 25 2.243 4.641 -1.178 1.00 0.00 O ATOM 280 CB LYS A 25 0.022 6.895 -2.605 1.00 0.00 C ATOM 281 CG LYS A 25 1.086 7.116 -3.681 1.00 0.00 C ATOM 282 CD LYS A 25 0.493 6.803 -5.057 1.00 0.00 C ATOM 283 CE LYS A 25 -0.573 7.845 -5.403 1.00 0.00 C ATOM 284 NZ LYS A 25 -1.619 7.220 -6.261 1.00 0.00 N ATOM 0 H LYS A 25 2.749 6.792 -0.813 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.001 6.599 -0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.684 6.130 -2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.549 7.811 -2.450 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.440 8.147 -3.652 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.949 6.477 -3.491 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.279 6.806 -5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.055 5.805 -5.057 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.023 8.238 -4.491 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.118 8.688 -5.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.344 7.928 -6.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.184 6.866 -7.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.061 6.429 -5.750 1.00 0.00 H new ATOM 298 N VAL A 26 0.172 4.137 -1.714 1.00 0.00 N ATOM 299 CA VAL A 26 0.503 2.687 -1.823 1.00 0.00 C ATOM 300 C VAL A 26 0.850 2.358 -3.275 1.00 0.00 C ATOM 301 O VAL A 26 1.384 3.178 -3.995 1.00 0.00 O ATOM 302 CB VAL A 26 -0.702 1.845 -1.383 1.00 0.00 C ATOM 303 CG1 VAL A 26 -0.208 0.568 -0.701 1.00 0.00 C ATOM 304 CG2 VAL A 26 -1.561 2.642 -0.399 1.00 0.00 C ATOM 0 H VAL A 26 -0.801 4.376 -1.905 1.00 0.00 H new ATOM 0 HA VAL A 26 1.353 2.460 -1.180 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.299 1.589 -2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.063 -0.031 -0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.401 -0.006 -1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.391 0.830 0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.415 2.039 -0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.965 2.902 0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.916 3.553 -0.881 1.00 0.00 H new ATOM 314 N LEU A 27 0.552 1.166 -3.714 1.00 0.00 N ATOM 315 CA LEU A 27 0.869 0.795 -5.122 1.00 0.00 C ATOM 316 C LEU A 27 0.382 -0.627 -5.401 1.00 0.00 C ATOM 317 O LEU A 27 -0.106 -0.928 -6.473 1.00 0.00 O ATOM 318 CB LEU A 27 2.381 0.866 -5.341 1.00 0.00 C ATOM 319 CG LEU A 27 2.716 2.107 -6.166 1.00 0.00 C ATOM 320 CD1 LEU A 27 3.766 2.941 -5.430 1.00 0.00 C ATOM 321 CD2 LEU A 27 3.269 1.679 -7.527 1.00 0.00 C ATOM 0 H LEU A 27 0.104 0.435 -3.161 1.00 0.00 H new ATOM 0 HA LEU A 27 0.369 1.488 -5.798 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.897 0.903 -4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.728 -0.030 -5.855 1.00 0.00 H new ATOM 0 HG LEU A 27 1.814 2.702 -6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.005 3.827 -6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.374 3.245 -4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.668 2.346 -5.287 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.509 2.564 -8.117 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.171 1.084 -7.383 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.522 1.084 -8.052 1.00 0.00 H new ATOM 333 N ASP A 28 0.512 -1.508 -4.448 1.00 0.00 N ATOM 334 CA ASP A 28 0.058 -2.910 -4.666 1.00 0.00 C ATOM 335 C ASP A 28 -0.198 -3.583 -3.317 1.00 0.00 C ATOM 336 O ASP A 28 -0.033 -2.988 -2.272 1.00 0.00 O ATOM 337 CB ASP A 28 1.139 -3.684 -5.424 1.00 0.00 C ATOM 338 CG ASP A 28 1.454 -2.967 -6.739 1.00 0.00 C ATOM 339 OD1 ASP A 28 0.654 -3.072 -7.654 1.00 0.00 O ATOM 340 OD2 ASP A 28 2.489 -2.327 -6.808 1.00 0.00 O ATOM 0 H ASP A 28 0.912 -1.318 -3.529 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.863 -2.905 -5.248 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.040 -3.762 -4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.801 -4.701 -5.624 1.00 0.00 H new ATOM 345 N ARG A 29 -0.599 -4.825 -3.333 1.00 0.00 N ATOM 346 CA ARG A 29 -0.865 -5.540 -2.054 1.00 0.00 C ATOM 347 C ARG A 29 -0.997 -7.039 -2.330 1.00 0.00 C ATOM 348 O ARG A 29 -1.854 -7.470 -3.077 1.00 0.00 O ATOM 349 CB ARG A 29 -2.164 -5.019 -1.435 1.00 0.00 C ATOM 350 CG ARG A 29 -2.504 -5.843 -0.191 1.00 0.00 C ATOM 351 CD ARG A 29 -4.012 -6.088 -0.139 1.00 0.00 C ATOM 352 NE ARG A 29 -4.338 -7.337 -0.885 1.00 0.00 N ATOM 353 CZ ARG A 29 -4.621 -8.431 -0.232 1.00 0.00 C ATOM 354 NH1 ARG A 29 -4.002 -8.704 0.884 1.00 0.00 N ATOM 355 NH2 ARG A 29 -5.524 -9.251 -0.695 1.00 0.00 N ATOM 0 H ARG A 29 -0.754 -5.375 -4.178 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.041 -5.366 -1.362 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.056 -3.967 -1.169 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.976 -5.083 -2.160 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.971 -6.793 -0.214 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.179 -5.317 0.707 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.342 -6.173 0.896 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.544 -5.242 -0.574 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.340 -7.336 -1.905 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.297 -8.062 1.246 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.223 -9.559 1.394 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.008 -9.037 -1.567 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.746 -10.106 -0.185 1.00 0.00 H new ATOM 369 N ARG A 30 -0.155 -7.836 -1.734 1.00 0.00 N ATOM 370 CA ARG A 30 -0.231 -9.305 -1.963 1.00 0.00 C ATOM 371 C ARG A 30 -0.248 -10.029 -0.615 1.00 0.00 C ATOM 372 O ARG A 30 -0.287 -9.414 0.431 1.00 0.00 O ATOM 373 CB ARG A 30 0.986 -9.759 -2.769 1.00 0.00 C ATOM 374 CG ARG A 30 2.247 -9.616 -1.914 1.00 0.00 C ATOM 375 CD ARG A 30 2.993 -10.950 -1.874 1.00 0.00 C ATOM 376 NE ARG A 30 4.462 -10.702 -1.919 1.00 0.00 N ATOM 377 CZ ARG A 30 5.289 -11.702 -2.051 1.00 0.00 C ATOM 378 NH1 ARG A 30 5.470 -12.250 -3.222 1.00 0.00 N ATOM 379 NH2 ARG A 30 5.936 -12.156 -1.012 1.00 0.00 N ATOM 0 H ARG A 30 0.583 -7.533 -1.098 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.141 -9.541 -2.515 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.862 -10.796 -3.082 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.079 -9.161 -3.676 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.892 -8.839 -2.326 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.980 -9.306 -0.903 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.734 -11.496 -0.967 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.693 -11.572 -2.717 1.00 0.00 H new ATOM 0 HE ARG A 30 4.821 -9.750 -1.847 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.965 -11.896 -4.034 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.117 -13.032 -3.325 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.795 -11.729 -0.097 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.583 -12.938 -1.116 1.00 0.00 H new ATOM 393 N VAL A 31 -0.221 -11.334 -0.634 1.00 0.00 N ATOM 394 CA VAL A 31 -0.234 -12.096 0.646 1.00 0.00 C ATOM 395 C VAL A 31 0.695 -13.306 0.523 1.00 0.00 C ATOM 396 O VAL A 31 0.965 -13.790 -0.557 1.00 0.00 O ATOM 397 CB VAL A 31 -1.666 -12.559 0.952 1.00 0.00 C ATOM 398 CG1 VAL A 31 -1.643 -13.748 1.918 1.00 0.00 C ATOM 399 CG2 VAL A 31 -2.439 -11.408 1.596 1.00 0.00 C ATOM 0 H VAL A 31 -0.191 -11.904 -1.479 1.00 0.00 H new ATOM 0 HA VAL A 31 0.114 -11.459 1.459 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.148 -12.862 0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.664 -14.067 2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.091 -14.572 1.467 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.158 -13.452 2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.457 -11.731 1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.945 -11.111 2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.467 -10.560 0.911 1.00 0.00 H new ATOM 409 N VAL A 32 1.181 -13.796 1.628 1.00 0.00 N ATOM 410 CA VAL A 32 2.089 -14.975 1.590 1.00 0.00 C ATOM 411 C VAL A 32 1.495 -16.090 2.449 1.00 0.00 C ATOM 412 O VAL A 32 1.628 -17.260 2.149 1.00 0.00 O ATOM 413 CB VAL A 32 3.455 -14.576 2.148 1.00 0.00 C ATOM 414 CG1 VAL A 32 4.421 -15.757 2.026 1.00 0.00 C ATOM 415 CG2 VAL A 32 4.001 -13.386 1.358 1.00 0.00 C ATOM 0 H VAL A 32 0.988 -13.429 2.560 1.00 0.00 H new ATOM 0 HA VAL A 32 2.202 -15.323 0.563 1.00 0.00 H new ATOM 0 HB VAL A 32 3.352 -14.298 3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.395 -15.473 2.424 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.032 -16.605 2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.525 -16.036 0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.975 -13.101 1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.104 -13.662 0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.313 -12.545 1.446 1.00 0.00 H new ATOM 425 N LYS A 33 0.839 -15.733 3.517 1.00 0.00 N ATOM 426 CA LYS A 33 0.233 -16.761 4.407 1.00 0.00 C ATOM 427 C LYS A 33 -0.219 -16.095 5.706 1.00 0.00 C ATOM 428 O LYS A 33 -0.124 -16.666 6.775 1.00 0.00 O ATOM 429 CB LYS A 33 1.274 -17.836 4.722 1.00 0.00 C ATOM 430 CG LYS A 33 2.599 -17.164 5.084 1.00 0.00 C ATOM 431 CD LYS A 33 3.700 -18.222 5.178 1.00 0.00 C ATOM 432 CE LYS A 33 4.673 -17.850 6.298 1.00 0.00 C ATOM 433 NZ LYS A 33 5.808 -17.067 5.731 1.00 0.00 N ATOM 0 H LYS A 33 0.696 -14.768 3.813 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.623 -17.219 3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.932 -18.460 5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.408 -18.492 3.862 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.859 -16.420 4.331 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.504 -16.637 6.034 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.262 -19.201 5.373 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.232 -18.294 4.229 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.159 -17.265 7.061 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.046 -18.751 6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.470 -16.814 6.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.303 -17.640 5.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.444 -16.200 5.286 1.00 0.00 H new ATOM 447 N GLY A 34 -0.705 -14.886 5.625 1.00 0.00 N ATOM 448 CA GLY A 34 -1.157 -14.179 6.855 1.00 0.00 C ATOM 449 C GLY A 34 -0.245 -12.978 7.117 1.00 0.00 C ATOM 450 O GLY A 34 -0.371 -12.300 8.117 1.00 0.00 O ATOM 0 H GLY A 34 -0.808 -14.358 4.759 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.189 -13.847 6.738 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.135 -14.859 7.707 1.00 0.00 H new ATOM 454 N LYS A 35 0.675 -12.710 6.228 1.00 0.00 N ATOM 455 CA LYS A 35 1.592 -11.552 6.432 1.00 0.00 C ATOM 456 C LYS A 35 1.010 -10.315 5.748 1.00 0.00 C ATOM 457 O LYS A 35 1.032 -9.226 6.287 1.00 0.00 O ATOM 458 CB LYS A 35 2.960 -11.873 5.828 1.00 0.00 C ATOM 459 CG LYS A 35 3.381 -13.286 6.236 1.00 0.00 C ATOM 460 CD LYS A 35 3.817 -13.286 7.702 1.00 0.00 C ATOM 461 CE LYS A 35 2.918 -14.229 8.504 1.00 0.00 C ATOM 462 NZ LYS A 35 3.033 -13.908 9.955 1.00 0.00 N ATOM 0 H LYS A 35 0.830 -13.242 5.372 1.00 0.00 H new ATOM 0 HA LYS A 35 1.702 -11.359 7.499 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.917 -11.795 4.742 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.699 -11.149 6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.552 -13.979 6.092 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.198 -13.630 5.603 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.857 -13.602 7.783 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.758 -12.277 8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.883 -14.127 8.179 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.207 -15.265 8.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.422 -14.548 10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.020 -14.027 10.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.737 -12.924 10.117 1.00 0.00 H new ATOM 476 N VAL A 36 0.489 -10.473 4.563 1.00 0.00 N ATOM 477 CA VAL A 36 -0.096 -9.308 3.842 1.00 0.00 C ATOM 478 C VAL A 36 0.962 -8.213 3.690 1.00 0.00 C ATOM 479 O VAL A 36 1.354 -7.577 4.648 1.00 0.00 O ATOM 480 CB VAL A 36 -1.284 -8.762 4.638 1.00 0.00 C ATOM 481 CG1 VAL A 36 -1.698 -7.402 4.073 1.00 0.00 C ATOM 482 CG2 VAL A 36 -2.459 -9.736 4.530 1.00 0.00 C ATOM 0 H VAL A 36 0.443 -11.360 4.062 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.432 -9.625 2.855 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.998 -8.648 5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.544 -7.014 4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.862 -6.707 4.148 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.984 -7.514 3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.306 -9.349 5.096 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.743 -9.849 3.484 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.166 -10.706 4.933 1.00 0.00 H new ATOM 492 N GLU A 37 1.426 -7.987 2.491 1.00 0.00 N ATOM 493 CA GLU A 37 2.456 -6.932 2.276 1.00 0.00 C ATOM 494 C GLU A 37 1.827 -5.757 1.526 1.00 0.00 C ATOM 495 O GLU A 37 0.859 -5.913 0.808 1.00 0.00 O ATOM 496 CB GLU A 37 3.611 -7.505 1.453 1.00 0.00 C ATOM 497 CG GLU A 37 4.429 -8.466 2.318 1.00 0.00 C ATOM 498 CD GLU A 37 5.864 -8.534 1.792 1.00 0.00 C ATOM 499 OE1 GLU A 37 6.107 -9.321 0.892 1.00 0.00 O ATOM 500 OE2 GLU A 37 6.694 -7.797 2.297 1.00 0.00 O ATOM 0 H GLU A 37 1.136 -8.488 1.651 1.00 0.00 H new ATOM 0 HA GLU A 37 2.834 -6.590 3.239 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.224 -8.027 0.578 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.246 -6.698 1.088 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.426 -8.130 3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.978 -9.458 2.303 1.00 0.00 H new ATOM 507 N TYR A 38 2.367 -4.579 1.685 1.00 0.00 N ATOM 508 CA TYR A 38 1.795 -3.398 0.980 1.00 0.00 C ATOM 509 C TYR A 38 2.906 -2.655 0.233 1.00 0.00 C ATOM 510 O TYR A 38 3.925 -2.309 0.798 1.00 0.00 O ATOM 511 CB TYR A 38 1.154 -2.456 2.002 1.00 0.00 C ATOM 512 CG TYR A 38 -0.255 -2.913 2.295 1.00 0.00 C ATOM 513 CD1 TYR A 38 -1.259 -2.757 1.330 1.00 0.00 C ATOM 514 CD2 TYR A 38 -0.559 -3.494 3.535 1.00 0.00 C ATOM 515 CE1 TYR A 38 -2.565 -3.181 1.603 1.00 0.00 C ATOM 516 CE2 TYR A 38 -1.867 -3.919 3.807 1.00 0.00 C ATOM 517 CZ TYR A 38 -2.870 -3.763 2.841 1.00 0.00 C ATOM 518 OH TYR A 38 -4.157 -4.181 3.110 1.00 0.00 O ATOM 0 H TYR A 38 3.178 -4.384 2.272 1.00 0.00 H new ATOM 0 HA TYR A 38 1.041 -3.734 0.268 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.742 -2.444 2.920 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.144 -1.437 1.616 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.025 -2.310 0.375 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.214 -3.614 4.280 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.338 -3.059 0.859 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.102 -4.367 4.761 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.195 -4.562 4.012 1.00 0.00 H new ATOM 528 N LEU A 39 2.714 -2.405 -1.033 1.00 0.00 N ATOM 529 CA LEU A 39 3.755 -1.682 -1.817 1.00 0.00 C ATOM 530 C LEU A 39 3.465 -0.180 -1.780 1.00 0.00 C ATOM 531 O LEU A 39 2.483 0.284 -2.325 1.00 0.00 O ATOM 532 CB LEU A 39 3.732 -2.170 -3.268 1.00 0.00 C ATOM 533 CG LEU A 39 5.093 -1.914 -3.916 1.00 0.00 C ATOM 534 CD1 LEU A 39 6.177 -2.663 -3.142 1.00 0.00 C ATOM 535 CD2 LEU A 39 5.067 -2.409 -5.364 1.00 0.00 C ATOM 0 H LEU A 39 1.881 -2.670 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 39 4.737 -1.875 -1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.496 -3.234 -3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.950 -1.653 -3.824 1.00 0.00 H new ATOM 0 HG LEU A 39 5.308 -0.846 -3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.147 -2.480 -3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.195 -2.312 -2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.963 -3.732 -3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.036 -2.227 -5.828 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.852 -3.477 -5.379 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.294 -1.875 -5.917 1.00 0.00 H new ATOM 547 N LEU A 40 4.308 0.583 -1.139 1.00 0.00 N ATOM 548 CA LEU A 40 4.074 2.053 -1.065 1.00 0.00 C ATOM 549 C LEU A 40 5.258 2.796 -1.688 1.00 0.00 C ATOM 550 O LEU A 40 6.379 2.329 -1.663 1.00 0.00 O ATOM 551 CB LEU A 40 3.926 2.473 0.398 1.00 0.00 C ATOM 552 CG LEU A 40 2.725 1.759 1.018 1.00 0.00 C ATOM 553 CD1 LEU A 40 3.213 0.714 2.024 1.00 0.00 C ATOM 554 CD2 LEU A 40 1.841 2.782 1.735 1.00 0.00 C ATOM 0 H LEU A 40 5.148 0.252 -0.664 1.00 0.00 H new ATOM 0 HA LEU A 40 3.163 2.300 -1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.833 2.228 0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.794 3.553 0.465 1.00 0.00 H new ATOM 0 HG LEU A 40 2.151 1.266 0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.356 0.206 2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.844 -0.014 1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.787 1.205 2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.984 2.275 2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.417 3.274 2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.492 3.527 1.019 1.00 0.00 H new ATOM 566 N LYS A 41 5.018 3.953 -2.243 1.00 0.00 N ATOM 567 CA LYS A 41 6.129 4.730 -2.862 1.00 0.00 C ATOM 568 C LYS A 41 6.449 5.942 -1.984 1.00 0.00 C ATOM 569 O LYS A 41 5.586 6.738 -1.670 1.00 0.00 O ATOM 570 CB LYS A 41 5.710 5.206 -4.254 1.00 0.00 C ATOM 571 CG LYS A 41 6.813 6.087 -4.846 1.00 0.00 C ATOM 572 CD LYS A 41 6.181 7.260 -5.599 1.00 0.00 C ATOM 573 CE LYS A 41 5.746 6.799 -6.991 1.00 0.00 C ATOM 574 NZ LYS A 41 6.556 7.504 -8.024 1.00 0.00 N ATOM 0 H LYS A 41 4.100 4.394 -2.294 1.00 0.00 H new ATOM 0 HA LYS A 41 7.012 4.096 -2.948 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.526 4.350 -4.903 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.777 5.765 -4.193 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.462 6.458 -4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.437 5.502 -5.521 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.322 7.641 -5.046 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.895 8.079 -5.682 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.875 5.721 -7.086 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.686 7.007 -7.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.490 6.992 -8.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.195 8.471 -8.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.550 7.542 -7.720 1.00 0.00 H new ATOM 588 N TRP A 42 7.681 6.088 -1.582 1.00 0.00 N ATOM 589 CA TRP A 42 8.053 7.247 -0.723 1.00 0.00 C ATOM 590 C TRP A 42 8.443 8.436 -1.604 1.00 0.00 C ATOM 591 O TRP A 42 8.879 8.273 -2.727 1.00 0.00 O ATOM 592 CB TRP A 42 9.235 6.860 0.168 1.00 0.00 C ATOM 593 CG TRP A 42 8.859 5.682 1.007 1.00 0.00 C ATOM 594 CD1 TRP A 42 8.879 4.394 0.593 1.00 0.00 C ATOM 595 CD2 TRP A 42 8.405 5.660 2.392 1.00 0.00 C ATOM 596 NE1 TRP A 42 8.467 3.582 1.635 1.00 0.00 N ATOM 597 CE2 TRP A 42 8.165 4.315 2.764 1.00 0.00 C ATOM 598 CE3 TRP A 42 8.182 6.666 3.350 1.00 0.00 C ATOM 599 CZ2 TRP A 42 7.717 3.982 4.044 1.00 0.00 C ATOM 600 CZ3 TRP A 42 7.732 6.333 4.641 1.00 0.00 C ATOM 601 CH2 TRP A 42 7.500 4.993 4.985 1.00 0.00 C ATOM 0 H TRP A 42 8.447 5.454 -1.811 1.00 0.00 H new ATOM 0 HA TRP A 42 7.203 7.525 -0.100 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.104 6.621 -0.445 1.00 0.00 H new ATOM 0 HB3 TRP A 42 9.515 7.699 0.805 1.00 0.00 H new ATOM 0 HD1 TRP A 42 9.169 4.055 -0.390 1.00 0.00 H new ATOM 0 HE1 TRP A 42 8.395 2.566 1.576 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.357 7.700 3.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.539 2.949 4.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.565 7.112 5.370 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.154 4.742 5.977 1.00 0.00 H new ATOM 612 N LYS A 43 8.290 9.632 -1.103 1.00 0.00 N ATOM 613 CA LYS A 43 8.651 10.831 -1.910 1.00 0.00 C ATOM 614 C LYS A 43 10.063 11.290 -1.539 1.00 0.00 C ATOM 615 O LYS A 43 10.732 11.954 -2.305 1.00 0.00 O ATOM 616 CB LYS A 43 7.656 11.956 -1.623 1.00 0.00 C ATOM 617 CG LYS A 43 7.652 12.265 -0.126 1.00 0.00 C ATOM 618 CD LYS A 43 6.774 13.489 0.141 1.00 0.00 C ATOM 619 CE LYS A 43 7.514 14.754 -0.296 1.00 0.00 C ATOM 620 NZ LYS A 43 6.838 15.338 -1.488 1.00 0.00 N ATOM 0 H LYS A 43 7.930 9.830 -0.169 1.00 0.00 H new ATOM 0 HA LYS A 43 8.619 10.579 -2.970 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.927 12.848 -2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.657 11.664 -1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.277 11.407 0.432 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.669 12.451 0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.833 13.400 -0.402 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.526 13.548 1.201 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.529 15.479 0.518 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.552 14.518 -0.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.460 16.047 -1.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.633 14.584 -2.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.949 15.791 -1.196 1.00 0.00 H new ATOM 634 N GLY A 44 10.521 10.941 -0.368 1.00 0.00 N ATOM 635 CA GLY A 44 11.889 11.357 0.051 1.00 0.00 C ATOM 636 C GLY A 44 12.886 10.249 -0.290 1.00 0.00 C ATOM 637 O GLY A 44 13.932 10.133 0.316 1.00 0.00 O ATOM 0 H GLY A 44 10.007 10.386 0.316 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.170 12.281 -0.453 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.907 11.560 1.122 1.00 0.00 H new ATOM 641 N PHE A 45 12.569 9.432 -1.257 1.00 0.00 N ATOM 642 CA PHE A 45 13.497 8.331 -1.637 1.00 0.00 C ATOM 643 C PHE A 45 13.606 8.261 -3.162 1.00 0.00 C ATOM 644 O PHE A 45 13.144 9.137 -3.866 1.00 0.00 O ATOM 645 CB PHE A 45 12.956 7.002 -1.106 1.00 0.00 C ATOM 646 CG PHE A 45 13.463 6.777 0.299 1.00 0.00 C ATOM 647 CD1 PHE A 45 14.831 6.580 0.528 1.00 0.00 C ATOM 648 CD2 PHE A 45 12.564 6.764 1.374 1.00 0.00 C ATOM 649 CE1 PHE A 45 15.301 6.370 1.831 1.00 0.00 C ATOM 650 CE2 PHE A 45 13.033 6.554 2.677 1.00 0.00 C ATOM 651 CZ PHE A 45 14.401 6.358 2.906 1.00 0.00 C ATOM 0 H PHE A 45 11.707 9.480 -1.800 1.00 0.00 H new ATOM 0 HA PHE A 45 14.481 8.521 -1.209 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.866 7.012 -1.113 1.00 0.00 H new ATOM 0 HB3 PHE A 45 13.272 6.184 -1.753 1.00 0.00 H new ATOM 0 HD1 PHE A 45 15.524 6.590 -0.300 1.00 0.00 H new ATOM 0 HD2 PHE A 45 11.509 6.916 1.198 1.00 0.00 H new ATOM 0 HE1 PHE A 45 16.356 6.218 2.007 1.00 0.00 H new ATOM 0 HE2 PHE A 45 12.340 6.543 3.505 1.00 0.00 H new ATOM 0 HZ PHE A 45 14.763 6.198 3.911 1.00 0.00 H new ATOM 661 N SER A 46 14.210 7.226 -3.676 1.00 0.00 N ATOM 662 CA SER A 46 14.344 7.103 -5.155 1.00 0.00 C ATOM 663 C SER A 46 13.008 7.451 -5.815 1.00 0.00 C ATOM 664 O SER A 46 11.977 7.484 -5.172 1.00 0.00 O ATOM 665 CB SER A 46 14.733 5.669 -5.514 1.00 0.00 C ATOM 666 OG SER A 46 13.558 4.874 -5.609 1.00 0.00 O ATOM 0 H SER A 46 14.616 6.461 -3.137 1.00 0.00 H new ATOM 0 HA SER A 46 15.115 7.787 -5.510 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.275 5.653 -6.460 1.00 0.00 H new ATOM 0 HB3 SER A 46 15.402 5.261 -4.756 1.00 0.00 H new ATOM 0 HG SER A 46 13.768 3.949 -5.364 1.00 0.00 H new ATOM 672 N ASP A 47 13.016 7.711 -7.094 1.00 0.00 N ATOM 673 CA ASP A 47 11.745 8.057 -7.790 1.00 0.00 C ATOM 674 C ASP A 47 10.640 7.103 -7.336 1.00 0.00 C ATOM 675 O ASP A 47 9.623 7.518 -6.816 1.00 0.00 O ATOM 676 CB ASP A 47 11.940 7.930 -9.302 1.00 0.00 C ATOM 677 CG ASP A 47 12.982 8.948 -9.770 1.00 0.00 C ATOM 678 OD1 ASP A 47 14.154 8.724 -9.521 1.00 0.00 O ATOM 679 OD2 ASP A 47 12.588 9.937 -10.369 1.00 0.00 O ATOM 0 H ASP A 47 13.847 7.699 -7.686 1.00 0.00 H new ATOM 0 HA ASP A 47 11.464 9.081 -7.545 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.264 6.920 -9.554 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.994 8.099 -9.817 1.00 0.00 H new ATOM 684 N GLU A 48 10.832 5.827 -7.523 1.00 0.00 N ATOM 685 CA GLU A 48 9.794 4.849 -7.096 1.00 0.00 C ATOM 686 C GLU A 48 10.455 3.743 -6.274 1.00 0.00 C ATOM 687 O GLU A 48 10.740 2.671 -6.770 1.00 0.00 O ATOM 688 CB GLU A 48 9.126 4.240 -8.330 1.00 0.00 C ATOM 689 CG GLU A 48 10.194 3.860 -9.357 1.00 0.00 C ATOM 690 CD GLU A 48 9.588 2.926 -10.404 1.00 0.00 C ATOM 691 OE1 GLU A 48 9.022 3.428 -11.361 1.00 0.00 O ATOM 692 OE2 GLU A 48 9.698 1.723 -10.231 1.00 0.00 O ATOM 0 H GLU A 48 11.662 5.420 -7.953 1.00 0.00 H new ATOM 0 HA GLU A 48 9.041 5.354 -6.492 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.550 3.359 -8.047 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.425 4.952 -8.766 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.586 4.756 -9.838 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.033 3.372 -8.861 1.00 0.00 H new ATOM 699 N ASP A 49 10.705 3.997 -5.020 1.00 0.00 N ATOM 700 CA ASP A 49 11.350 2.965 -4.165 1.00 0.00 C ATOM 701 C ASP A 49 10.268 2.107 -3.505 1.00 0.00 C ATOM 702 O ASP A 49 10.293 1.864 -2.315 1.00 0.00 O ATOM 703 CB ASP A 49 12.194 3.653 -3.088 1.00 0.00 C ATOM 704 CG ASP A 49 11.275 4.266 -2.029 1.00 0.00 C ATOM 705 OD1 ASP A 49 10.384 5.010 -2.405 1.00 0.00 O ATOM 706 OD2 ASP A 49 11.480 3.983 -0.860 1.00 0.00 O ATOM 0 H ASP A 49 10.490 4.877 -4.551 1.00 0.00 H new ATOM 0 HA ASP A 49 11.993 2.330 -4.775 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.869 2.933 -2.625 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.815 4.428 -3.538 1.00 0.00 H new ATOM 711 N ASN A 50 9.319 1.648 -4.275 1.00 0.00 N ATOM 712 CA ASN A 50 8.230 0.805 -3.703 1.00 0.00 C ATOM 713 C ASN A 50 8.824 -0.202 -2.715 1.00 0.00 C ATOM 714 O ASN A 50 9.869 -0.775 -2.951 1.00 0.00 O ATOM 715 CB ASN A 50 7.522 0.054 -4.832 1.00 0.00 C ATOM 716 CG ASN A 50 8.521 -0.261 -5.947 1.00 0.00 C ATOM 717 OD1 ASN A 50 9.665 -0.575 -5.683 1.00 0.00 O ATOM 718 ND2 ASN A 50 8.135 -0.188 -7.192 1.00 0.00 N ATOM 0 H ASN A 50 9.251 1.821 -5.278 1.00 0.00 H new ATOM 0 HA ASN A 50 7.514 1.442 -3.183 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.085 -0.869 -4.450 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.702 0.656 -5.224 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.794 -0.395 -7.943 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.175 0.076 -7.414 1.00 0.00 H new ATOM 725 N THR A 51 8.164 -0.422 -1.612 1.00 0.00 N ATOM 726 CA THR A 51 8.689 -1.393 -0.610 1.00 0.00 C ATOM 727 C THR A 51 7.539 -2.255 -0.086 1.00 0.00 C ATOM 728 O THR A 51 6.428 -1.791 0.081 1.00 0.00 O ATOM 729 CB THR A 51 9.326 -0.630 0.554 1.00 0.00 C ATOM 730 OG1 THR A 51 9.087 0.761 0.394 1.00 0.00 O ATOM 731 CG2 THR A 51 10.834 -0.891 0.572 1.00 0.00 C ATOM 0 H THR A 51 7.284 0.028 -1.361 1.00 0.00 H new ATOM 0 HA THR A 51 9.438 -2.031 -1.079 1.00 0.00 H new ATOM 0 HB THR A 51 8.889 -0.968 1.493 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.824 1.268 0.795 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.287 -0.348 1.401 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.017 -1.959 0.695 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.273 -0.553 -0.367 1.00 0.00 H new ATOM 739 N TRP A 52 7.796 -3.508 0.174 1.00 0.00 N ATOM 740 CA TRP A 52 6.718 -4.400 0.687 1.00 0.00 C ATOM 741 C TRP A 52 6.861 -4.553 2.202 1.00 0.00 C ATOM 742 O TRP A 52 7.676 -5.314 2.685 1.00 0.00 O ATOM 743 CB TRP A 52 6.836 -5.774 0.023 1.00 0.00 C ATOM 744 CG TRP A 52 6.624 -5.636 -1.451 1.00 0.00 C ATOM 745 CD1 TRP A 52 7.584 -5.315 -2.349 1.00 0.00 C ATOM 746 CD2 TRP A 52 5.394 -5.808 -2.215 1.00 0.00 C ATOM 747 NE1 TRP A 52 7.021 -5.282 -3.609 1.00 0.00 N ATOM 748 CE2 TRP A 52 5.682 -5.576 -3.578 1.00 0.00 C ATOM 749 CE3 TRP A 52 4.071 -6.139 -1.863 1.00 0.00 C ATOM 750 CZ2 TRP A 52 4.703 -5.667 -4.559 1.00 0.00 C ATOM 751 CZ3 TRP A 52 3.074 -6.233 -2.852 1.00 0.00 C ATOM 752 CH2 TRP A 52 3.392 -5.996 -4.199 1.00 0.00 C ATOM 0 H TRP A 52 8.706 -3.952 0.053 1.00 0.00 H new ATOM 0 HA TRP A 52 5.745 -3.966 0.456 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.819 -6.202 0.221 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.099 -6.458 0.445 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.620 -5.117 -2.118 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.539 -5.065 -4.461 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.820 -6.322 -0.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 4.953 -5.485 -5.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.062 -6.488 -2.574 1.00 0.00 H new ATOM 0 HH2 TRP A 52 2.625 -6.068 -4.956 1.00 0.00 H new ATOM 763 N GLU A 53 6.075 -3.836 2.958 1.00 0.00 N ATOM 764 CA GLU A 53 6.169 -3.943 4.442 1.00 0.00 C ATOM 765 C GLU A 53 4.975 -4.743 4.973 1.00 0.00 C ATOM 766 O GLU A 53 3.948 -4.823 4.328 1.00 0.00 O ATOM 767 CB GLU A 53 6.157 -2.542 5.056 1.00 0.00 C ATOM 768 CG GLU A 53 7.499 -2.274 5.741 1.00 0.00 C ATOM 769 CD GLU A 53 7.306 -1.251 6.862 1.00 0.00 C ATOM 770 OE1 GLU A 53 6.922 -0.134 6.557 1.00 0.00 O ATOM 771 OE2 GLU A 53 7.546 -1.602 8.005 1.00 0.00 O ATOM 0 H GLU A 53 5.373 -3.182 2.613 1.00 0.00 H new ATOM 0 HA GLU A 53 7.095 -4.450 4.712 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.976 -1.796 4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.345 -2.456 5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.904 -3.201 6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.222 -1.901 5.015 1.00 0.00 H new ATOM 778 N PRO A 54 5.151 -5.314 6.137 1.00 0.00 N ATOM 779 CA PRO A 54 4.108 -6.121 6.793 1.00 0.00 C ATOM 780 C PRO A 54 3.061 -5.213 7.445 1.00 0.00 C ATOM 781 O PRO A 54 3.388 -4.246 8.104 1.00 0.00 O ATOM 782 CB PRO A 54 4.880 -6.912 7.852 1.00 0.00 C ATOM 783 CG PRO A 54 6.179 -6.117 8.130 1.00 0.00 C ATOM 784 CD PRO A 54 6.407 -5.208 6.908 1.00 0.00 C ATOM 0 HA PRO A 54 3.564 -6.763 6.101 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.290 -7.022 8.762 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.108 -7.917 7.497 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.084 -5.526 9.041 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.023 -6.792 8.274 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.604 -4.179 7.209 1.00 0.00 H new ATOM 0 HD3 PRO A 54 7.264 -5.538 6.321 1.00 0.00 H new ATOM 792 N GLU A 55 1.805 -5.517 7.267 1.00 0.00 N ATOM 793 CA GLU A 55 0.741 -4.672 7.877 1.00 0.00 C ATOM 794 C GLU A 55 0.758 -4.851 9.396 1.00 0.00 C ATOM 795 O GLU A 55 0.145 -4.097 10.127 1.00 0.00 O ATOM 796 CB GLU A 55 -0.624 -5.095 7.328 1.00 0.00 C ATOM 797 CG GLU A 55 -0.921 -6.535 7.754 1.00 0.00 C ATOM 798 CD GLU A 55 -2.403 -6.666 8.107 1.00 0.00 C ATOM 799 OE1 GLU A 55 -2.935 -5.742 8.701 1.00 0.00 O ATOM 800 OE2 GLU A 55 -2.982 -7.688 7.778 1.00 0.00 O ATOM 0 H GLU A 55 1.470 -6.314 6.726 1.00 0.00 H new ATOM 0 HA GLU A 55 0.922 -3.625 7.632 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.401 -4.427 7.700 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.631 -5.017 6.241 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.666 -7.224 6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.306 -6.806 8.612 1.00 0.00 H new ATOM 807 N GLU A 56 1.456 -5.842 9.879 1.00 0.00 N ATOM 808 CA GLU A 56 1.513 -6.066 11.351 1.00 0.00 C ATOM 809 C GLU A 56 2.392 -4.993 11.996 1.00 0.00 C ATOM 810 O GLU A 56 2.430 -4.849 13.202 1.00 0.00 O ATOM 811 CB GLU A 56 2.102 -7.448 11.635 1.00 0.00 C ATOM 812 CG GLU A 56 1.229 -8.519 10.981 1.00 0.00 C ATOM 813 CD GLU A 56 1.593 -9.892 11.549 1.00 0.00 C ATOM 814 OE1 GLU A 56 2.774 -10.160 11.686 1.00 0.00 O ATOM 815 OE2 GLU A 56 0.682 -10.652 11.838 1.00 0.00 O ATOM 0 H GLU A 56 1.989 -6.506 9.318 1.00 0.00 H new ATOM 0 HA GLU A 56 0.507 -6.009 11.766 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.120 -7.508 11.249 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.159 -7.617 12.710 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.176 -8.306 11.164 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.373 -8.511 9.901 1.00 0.00 H new ATOM 822 N ASN A 57 3.101 -4.238 11.201 1.00 0.00 N ATOM 823 CA ASN A 57 3.978 -3.175 11.769 1.00 0.00 C ATOM 824 C ASN A 57 3.649 -1.836 11.106 1.00 0.00 C ATOM 825 O ASN A 57 4.155 -0.801 11.490 1.00 0.00 O ATOM 826 CB ASN A 57 5.443 -3.528 11.507 1.00 0.00 C ATOM 827 CG ASN A 57 5.997 -4.321 12.692 1.00 0.00 C ATOM 828 OD1 ASN A 57 5.323 -4.499 13.686 1.00 0.00 O ATOM 829 ND2 ASN A 57 7.206 -4.807 12.629 1.00 0.00 N ATOM 0 H ASN A 57 3.111 -4.311 10.184 1.00 0.00 H new ATOM 0 HA ASN A 57 3.810 -3.100 12.843 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.529 -4.114 10.592 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.026 -2.619 11.360 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.585 -5.336 13.415 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.773 -4.658 11.794 1.00 0.00 H new ATOM 836 N LEU A 58 2.803 -1.847 10.111 1.00 0.00 N ATOM 837 CA LEU A 58 2.440 -0.579 9.423 1.00 0.00 C ATOM 838 C LEU A 58 1.204 0.027 10.089 1.00 0.00 C ATOM 839 O LEU A 58 0.127 -0.534 10.048 1.00 0.00 O ATOM 840 CB LEU A 58 2.140 -0.871 7.953 1.00 0.00 C ATOM 841 CG LEU A 58 3.275 -0.332 7.081 1.00 0.00 C ATOM 842 CD1 LEU A 58 3.144 -0.893 5.665 1.00 0.00 C ATOM 843 CD2 LEU A 58 3.196 1.196 7.032 1.00 0.00 C ATOM 0 H LEU A 58 2.347 -2.683 9.746 1.00 0.00 H new ATOM 0 HA LEU A 58 3.268 0.126 9.492 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.029 -1.945 7.800 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.196 -0.409 7.665 1.00 0.00 H new ATOM 0 HG LEU A 58 4.233 -0.636 7.504 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.953 -0.508 5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.198 -1.981 5.698 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.187 -0.590 5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.004 1.582 6.411 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.238 1.497 6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.290 1.598 8.041 1.00 0.00 H new ATOM 855 N ASP A 59 1.348 1.172 10.700 1.00 0.00 N ATOM 856 CA ASP A 59 0.180 1.812 11.367 1.00 0.00 C ATOM 857 C ASP A 59 -0.450 2.835 10.418 1.00 0.00 C ATOM 858 O ASP A 59 -0.369 4.028 10.634 1.00 0.00 O ATOM 859 CB ASP A 59 0.644 2.519 12.642 1.00 0.00 C ATOM 860 CG ASP A 59 -0.568 3.095 13.377 1.00 0.00 C ATOM 861 OD1 ASP A 59 -1.607 2.456 13.357 1.00 0.00 O ATOM 862 OD2 ASP A 59 -0.435 4.165 13.946 1.00 0.00 O ATOM 0 H ASP A 59 2.224 1.691 10.766 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.556 1.049 11.622 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.174 1.818 13.287 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.345 3.316 12.394 1.00 0.00 H new ATOM 867 N CYS A 60 -1.077 2.377 9.370 1.00 0.00 N ATOM 868 CA CYS A 60 -1.710 3.324 8.409 1.00 0.00 C ATOM 869 C CYS A 60 -2.910 2.645 7.739 1.00 0.00 C ATOM 870 O CYS A 60 -2.779 2.064 6.680 1.00 0.00 O ATOM 871 CB CYS A 60 -0.690 3.724 7.342 1.00 0.00 C ATOM 872 SG CYS A 60 0.201 5.203 7.885 1.00 0.00 S ATOM 0 H CYS A 60 -1.179 1.389 9.137 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.046 4.213 8.942 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.011 2.907 7.169 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.195 3.917 6.395 1.00 0.00 H new ATOM 0 HG CYS A 60 0.264 5.219 9.183 1.00 0.00 H new ATOM 878 N PRO A 61 -4.045 2.740 8.383 1.00 0.00 N ATOM 879 CA PRO A 61 -5.295 2.146 7.881 1.00 0.00 C ATOM 880 C PRO A 61 -5.895 3.016 6.772 1.00 0.00 C ATOM 881 O PRO A 61 -6.914 2.690 6.196 1.00 0.00 O ATOM 882 CB PRO A 61 -6.204 2.125 9.113 1.00 0.00 C ATOM 883 CG PRO A 61 -5.653 3.204 10.077 1.00 0.00 C ATOM 884 CD PRO A 61 -4.188 3.451 9.669 1.00 0.00 C ATOM 0 HA PRO A 61 -5.154 1.157 7.445 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.237 2.340 8.838 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.197 1.142 9.585 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -6.236 4.122 10.005 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.716 2.868 11.112 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.979 4.515 9.561 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.496 3.064 10.417 1.00 0.00 H new ATOM 892 N ASP A 62 -5.270 4.121 6.466 1.00 0.00 N ATOM 893 CA ASP A 62 -5.804 5.006 5.395 1.00 0.00 C ATOM 894 C ASP A 62 -5.243 4.556 4.047 1.00 0.00 C ATOM 895 O ASP A 62 -5.941 4.515 3.053 1.00 0.00 O ATOM 896 CB ASP A 62 -5.383 6.451 5.666 1.00 0.00 C ATOM 897 CG ASP A 62 -6.172 7.392 4.753 1.00 0.00 C ATOM 898 OD1 ASP A 62 -7.327 7.101 4.490 1.00 0.00 O ATOM 899 OD2 ASP A 62 -5.608 8.389 4.332 1.00 0.00 O ATOM 0 H ASP A 62 -4.413 4.448 6.912 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.892 4.945 5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.564 6.704 6.711 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.314 6.569 5.490 1.00 0.00 H new ATOM 904 N LEU A 63 -3.985 4.210 4.006 1.00 0.00 N ATOM 905 CA LEU A 63 -3.384 3.757 2.726 1.00 0.00 C ATOM 906 C LEU A 63 -3.780 2.303 2.482 1.00 0.00 C ATOM 907 O LEU A 63 -3.912 1.864 1.356 1.00 0.00 O ATOM 908 CB LEU A 63 -1.860 3.866 2.808 1.00 0.00 C ATOM 909 CG LEU A 63 -1.474 5.275 3.261 1.00 0.00 C ATOM 910 CD1 LEU A 63 -0.116 5.230 3.964 1.00 0.00 C ATOM 911 CD2 LEU A 63 -1.385 6.196 2.043 1.00 0.00 C ATOM 0 H LEU A 63 -3.350 4.222 4.804 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.743 4.381 1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.469 3.127 3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.416 3.650 1.836 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.229 5.654 3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.160 6.234 4.287 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.177 4.573 4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.638 4.851 3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.110 7.200 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.630 5.817 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.351 6.228 1.540 1.00 0.00 H new ATOM 923 N ILE A 64 -3.981 1.554 3.531 1.00 0.00 N ATOM 924 CA ILE A 64 -4.378 0.132 3.364 1.00 0.00 C ATOM 925 C ILE A 64 -5.821 0.075 2.863 1.00 0.00 C ATOM 926 O ILE A 64 -6.176 -0.759 2.054 1.00 0.00 O ATOM 927 CB ILE A 64 -4.274 -0.590 4.709 1.00 0.00 C ATOM 928 CG1 ILE A 64 -2.819 -0.577 5.183 1.00 0.00 C ATOM 929 CG2 ILE A 64 -4.745 -2.037 4.550 1.00 0.00 C ATOM 930 CD1 ILE A 64 -2.770 -0.838 6.689 1.00 0.00 C ATOM 0 H ILE A 64 -3.887 1.868 4.497 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.718 -0.353 2.645 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.901 -0.083 5.443 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.246 -1.338 4.653 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.360 0.385 4.955 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.671 -2.551 5.508 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.781 -2.047 4.212 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.119 -2.545 3.816 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.734 -0.829 7.026 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.329 -0.061 7.211 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.213 -1.810 6.904 1.00 0.00 H new ATOM 942 N ALA A 65 -6.655 0.961 3.336 1.00 0.00 N ATOM 943 CA ALA A 65 -8.074 0.967 2.888 1.00 0.00 C ATOM 944 C ALA A 65 -8.248 1.987 1.761 1.00 0.00 C ATOM 945 O ALA A 65 -9.342 2.223 1.289 1.00 0.00 O ATOM 946 CB ALA A 65 -8.979 1.344 4.062 1.00 0.00 C ATOM 0 H ALA A 65 -6.413 1.682 4.015 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.345 -0.025 2.526 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.018 1.348 3.733 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.855 0.617 4.865 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.709 2.336 4.426 1.00 0.00 H new ATOM 952 N GLU A 66 -7.177 2.593 1.321 1.00 0.00 N ATOM 953 CA GLU A 66 -7.286 3.593 0.224 1.00 0.00 C ATOM 954 C GLU A 66 -6.857 2.945 -1.093 1.00 0.00 C ATOM 955 O GLU A 66 -7.475 3.138 -2.122 1.00 0.00 O ATOM 956 CB GLU A 66 -6.380 4.789 0.525 1.00 0.00 C ATOM 957 CG GLU A 66 -6.251 5.663 -0.725 1.00 0.00 C ATOM 958 CD GLU A 66 -5.604 6.997 -0.354 1.00 0.00 C ATOM 959 OE1 GLU A 66 -5.133 7.114 0.766 1.00 0.00 O ATOM 960 OE2 GLU A 66 -5.588 7.880 -1.195 1.00 0.00 O ATOM 0 H GLU A 66 -6.233 2.437 1.675 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.318 3.936 0.145 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.793 5.373 1.348 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.396 4.442 0.842 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.650 5.153 -1.477 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.234 5.834 -1.165 1.00 0.00 H new ATOM 967 N PHE A 67 -5.804 2.177 -1.069 1.00 0.00 N ATOM 968 CA PHE A 67 -5.339 1.515 -2.318 1.00 0.00 C ATOM 969 C PHE A 67 -6.297 0.378 -2.675 1.00 0.00 C ATOM 970 O PHE A 67 -6.491 0.058 -3.832 1.00 0.00 O ATOM 971 CB PHE A 67 -3.931 0.951 -2.104 1.00 0.00 C ATOM 972 CG PHE A 67 -3.584 0.016 -3.238 1.00 0.00 C ATOM 973 CD1 PHE A 67 -3.355 0.527 -4.523 1.00 0.00 C ATOM 974 CD2 PHE A 67 -3.494 -1.363 -3.006 1.00 0.00 C ATOM 975 CE1 PHE A 67 -3.037 -0.342 -5.576 1.00 0.00 C ATOM 976 CE2 PHE A 67 -3.175 -2.232 -4.058 1.00 0.00 C ATOM 977 CZ PHE A 67 -2.947 -1.721 -5.343 1.00 0.00 C ATOM 0 H PHE A 67 -5.246 1.979 -0.238 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.317 2.242 -3.130 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.206 1.764 -2.054 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.881 0.420 -1.153 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.424 1.590 -4.702 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.671 -1.756 -2.016 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -2.861 0.051 -6.566 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.105 -3.295 -3.879 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.702 -2.390 -6.154 1.00 0.00 H new ATOM 987 N LEU A 68 -6.897 -0.238 -1.694 1.00 0.00 N ATOM 988 CA LEU A 68 -7.839 -1.353 -1.984 1.00 0.00 C ATOM 989 C LEU A 68 -9.166 -0.780 -2.487 1.00 0.00 C ATOM 990 O LEU A 68 -9.784 -1.319 -3.385 1.00 0.00 O ATOM 991 CB LEU A 68 -8.058 -2.186 -0.709 1.00 0.00 C ATOM 992 CG LEU A 68 -9.106 -1.528 0.199 1.00 0.00 C ATOM 993 CD1 LEU A 68 -10.514 -1.857 -0.305 1.00 0.00 C ATOM 994 CD2 LEU A 68 -8.946 -2.066 1.622 1.00 0.00 C ATOM 0 H LEU A 68 -6.775 -0.017 -0.706 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.421 -2.000 -2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.383 -3.191 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.116 -2.288 -0.170 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.963 -0.448 0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.252 -1.387 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.634 -1.482 -1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.660 -2.937 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.688 -1.602 2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.090 -3.147 1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.946 -1.833 1.989 1.00 0.00 H new ATOM 1006 N GLN A 69 -9.606 0.313 -1.927 1.00 0.00 N ATOM 1007 CA GLN A 69 -10.887 0.917 -2.386 1.00 0.00 C ATOM 1008 C GLN A 69 -10.682 1.524 -3.776 1.00 0.00 C ATOM 1009 O GLN A 69 -11.612 1.984 -4.407 1.00 0.00 O ATOM 1010 CB GLN A 69 -11.318 2.011 -1.408 1.00 0.00 C ATOM 1011 CG GLN A 69 -12.832 1.936 -1.192 1.00 0.00 C ATOM 1012 CD GLN A 69 -13.160 2.302 0.256 1.00 0.00 C ATOM 1013 OE1 GLN A 69 -13.382 3.455 0.568 1.00 0.00 O ATOM 1014 NE2 GLN A 69 -13.201 1.362 1.160 1.00 0.00 N ATOM 0 H GLN A 69 -9.135 0.813 -1.173 1.00 0.00 H new ATOM 0 HA GLN A 69 -11.661 0.150 -2.429 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -10.798 1.889 -0.458 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.044 2.991 -1.798 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.341 2.616 -1.874 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.192 0.932 -1.415 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -13.015 0.394 0.898 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -13.419 1.595 2.129 1.00 0.00 H new ATOM 1023 N SER A 70 -9.467 1.525 -4.257 1.00 0.00 N ATOM 1024 CA SER A 70 -9.198 2.099 -5.603 1.00 0.00 C ATOM 1025 C SER A 70 -10.117 1.445 -6.631 1.00 0.00 C ATOM 1026 O SER A 70 -10.946 2.089 -7.242 1.00 0.00 O ATOM 1027 CB SER A 70 -7.745 1.828 -5.987 1.00 0.00 C ATOM 1028 OG SER A 70 -6.885 2.401 -5.011 1.00 0.00 O ATOM 0 H SER A 70 -8.650 1.152 -3.774 1.00 0.00 H new ATOM 0 HA SER A 70 -9.381 3.173 -5.581 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.570 0.754 -6.057 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.532 2.250 -6.969 1.00 0.00 H new ATOM 0 HG SER A 70 -5.952 2.227 -5.255 1.00 0.00 H new ATOM 1034 N GLN A 71 -9.970 0.167 -6.829 1.00 0.00 N ATOM 1035 CA GLN A 71 -10.825 -0.543 -7.819 1.00 0.00 C ATOM 1036 C GLN A 71 -11.703 -1.547 -7.082 1.00 0.00 C ATOM 1037 O GLN A 71 -12.204 -2.489 -7.660 1.00 0.00 O ATOM 1038 CB GLN A 71 -9.942 -1.297 -8.821 1.00 0.00 C ATOM 1039 CG GLN A 71 -8.523 -0.719 -8.817 1.00 0.00 C ATOM 1040 CD GLN A 71 -7.715 -1.339 -9.958 1.00 0.00 C ATOM 1041 OE1 GLN A 71 -8.271 -1.753 -10.956 1.00 0.00 O ATOM 1042 NE2 GLN A 71 -6.418 -1.421 -9.853 1.00 0.00 N ATOM 0 H GLN A 71 -9.291 -0.420 -6.345 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.442 0.181 -8.352 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.912 -2.356 -8.565 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.370 -1.223 -9.821 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.560 0.364 -8.931 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.039 -0.923 -7.862 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -5.951 -1.073 -9.015 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.870 -1.833 -10.609 1.00 0.00 H new ATOM 1051 N LYS A 72 -11.874 -1.366 -5.802 1.00 0.00 N ATOM 1052 CA LYS A 72 -12.699 -2.325 -5.027 1.00 0.00 C ATOM 1053 C LYS A 72 -11.901 -3.618 -4.860 1.00 0.00 C ATOM 1054 O LYS A 72 -12.414 -4.627 -4.418 1.00 0.00 O ATOM 1055 CB LYS A 72 -13.999 -2.613 -5.778 1.00 0.00 C ATOM 1056 CG LYS A 72 -14.567 -1.309 -6.342 1.00 0.00 C ATOM 1057 CD LYS A 72 -15.881 -0.973 -5.633 1.00 0.00 C ATOM 1058 CE LYS A 72 -15.916 0.520 -5.302 1.00 0.00 C ATOM 1059 NZ LYS A 72 -17.223 1.093 -5.730 1.00 0.00 N ATOM 0 H LYS A 72 -11.478 -0.596 -5.263 1.00 0.00 H new ATOM 0 HA LYS A 72 -12.945 -1.906 -4.051 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.814 -3.320 -6.586 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.723 -3.077 -5.108 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.851 -0.499 -6.205 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.735 -1.408 -7.414 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.727 -1.235 -6.269 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.974 -1.561 -4.720 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.774 0.670 -4.232 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.098 1.035 -5.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.247 2.108 -5.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.340 0.963 -6.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.995 0.609 -5.229 1.00 0.00 H new ATOM 1073 N THR A 73 -10.641 -3.590 -5.214 1.00 0.00 N ATOM 1074 CA THR A 73 -9.802 -4.807 -5.080 1.00 0.00 C ATOM 1075 C THR A 73 -10.410 -5.935 -5.909 1.00 0.00 C ATOM 1076 O THR A 73 -10.658 -7.020 -5.420 1.00 0.00 O ATOM 1077 CB THR A 73 -9.741 -5.212 -3.610 1.00 0.00 C ATOM 1078 OG1 THR A 73 -10.889 -5.982 -3.281 1.00 0.00 O ATOM 1079 CG2 THR A 73 -9.697 -3.953 -2.744 1.00 0.00 C ATOM 0 H THR A 73 -10.161 -2.772 -5.590 1.00 0.00 H new ATOM 0 HA THR A 73 -8.793 -4.605 -5.440 1.00 0.00 H new ATOM 0 HB THR A 73 -8.847 -5.809 -3.430 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.687 -5.415 -3.326 1.00 0.00 H new ATOM 0 HG21 THR A 73 -9.653 -4.236 -1.692 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.814 -3.367 -2.999 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.592 -3.357 -2.922 1.00 0.00 H new ATOM 1087 N ALA A 74 -10.654 -5.685 -7.166 1.00 0.00 N ATOM 1088 CA ALA A 74 -11.248 -6.738 -8.037 1.00 0.00 C ATOM 1089 C ALA A 74 -10.538 -6.736 -9.391 1.00 0.00 C ATOM 1090 O ALA A 74 -10.991 -7.342 -10.341 1.00 0.00 O ATOM 1091 CB ALA A 74 -12.737 -6.451 -8.240 1.00 0.00 C ATOM 0 H ALA A 74 -10.467 -4.795 -7.628 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.128 -7.713 -7.565 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -13.172 -7.221 -8.877 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -13.242 -6.451 -7.274 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.859 -5.477 -8.713 1.00 0.00 H new ATOM 1097 N HIS A 75 -9.425 -6.060 -9.486 1.00 0.00 N ATOM 1098 CA HIS A 75 -8.686 -6.020 -10.779 1.00 0.00 C ATOM 1099 C HIS A 75 -7.650 -7.145 -10.808 1.00 0.00 C ATOM 1100 O HIS A 75 -7.331 -7.682 -11.851 1.00 0.00 O ATOM 1101 CB HIS A 75 -7.978 -4.671 -10.919 1.00 0.00 C ATOM 1102 CG HIS A 75 -6.903 -4.557 -9.873 1.00 0.00 C ATOM 1103 ND1 HIS A 75 -7.075 -3.819 -8.713 1.00 0.00 N ATOM 1104 CD2 HIS A 75 -5.638 -5.084 -9.797 1.00 0.00 C ATOM 1105 CE1 HIS A 75 -5.941 -3.920 -7.995 1.00 0.00 C ATOM 1106 NE2 HIS A 75 -5.033 -4.681 -8.611 1.00 0.00 N ATOM 0 H HIS A 75 -8.996 -5.534 -8.724 1.00 0.00 H new ATOM 0 HA HIS A 75 -9.387 -6.150 -11.603 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -7.543 -4.578 -11.914 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -8.696 -3.858 -10.808 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.182 -5.716 -10.545 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -5.785 -3.444 -7.038 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -4.097 -4.916 -8.282 1.00 0.00 H new ATOM 1114 N GLU A 76 -7.120 -7.507 -9.672 1.00 0.00 N ATOM 1115 CA GLU A 76 -6.105 -8.597 -9.637 1.00 0.00 C ATOM 1116 C GLU A 76 -6.709 -9.837 -8.974 1.00 0.00 C ATOM 1117 O GLU A 76 -6.041 -10.560 -8.262 1.00 0.00 O ATOM 1118 CB GLU A 76 -4.886 -8.133 -8.837 1.00 0.00 C ATOM 1119 CG GLU A 76 -5.325 -7.709 -7.435 1.00 0.00 C ATOM 1120 CD GLU A 76 -4.121 -7.740 -6.492 1.00 0.00 C ATOM 1121 OE1 GLU A 76 -3.045 -7.362 -6.924 1.00 0.00 O ATOM 1122 OE2 GLU A 76 -4.296 -8.142 -5.353 1.00 0.00 O ATOM 0 H GLU A 76 -7.346 -7.095 -8.767 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.800 -8.842 -10.654 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.153 -8.937 -8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.401 -7.300 -9.345 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.752 -6.707 -7.464 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.104 -8.377 -7.069 1.00 0.00 H new ATOM 1129 N THR A 77 -7.969 -10.089 -9.203 1.00 0.00 N ATOM 1130 CA THR A 77 -8.616 -11.282 -8.588 1.00 0.00 C ATOM 1131 C THR A 77 -9.422 -12.029 -9.651 1.00 0.00 C ATOM 1132 O THR A 77 -10.285 -12.827 -9.342 1.00 0.00 O ATOM 1133 CB THR A 77 -9.549 -10.832 -7.461 1.00 0.00 C ATOM 1134 OG1 THR A 77 -9.615 -9.413 -7.442 1.00 0.00 O ATOM 1135 CG2 THR A 77 -9.015 -11.338 -6.120 1.00 0.00 C ATOM 0 H THR A 77 -8.579 -9.520 -9.790 1.00 0.00 H new ATOM 0 HA THR A 77 -7.850 -11.943 -8.183 1.00 0.00 H new ATOM 0 HB THR A 77 -10.545 -11.241 -7.629 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.777 -9.105 -6.526 1.00 0.00 H new ATOM 0 HG21 THR A 77 -9.680 -11.017 -5.319 1.00 0.00 H new ATOM 0 HG22 THR A 77 -8.965 -12.427 -6.136 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.018 -10.932 -5.949 1.00 0.00 H new ATOM 1143 N ASP A 78 -9.149 -11.777 -10.901 1.00 0.00 N ATOM 1144 CA ASP A 78 -9.901 -12.472 -11.984 1.00 0.00 C ATOM 1145 C ASP A 78 -8.918 -13.207 -12.898 1.00 0.00 C ATOM 1146 O ASP A 78 -8.765 -14.410 -12.822 1.00 0.00 O ATOM 1147 CB ASP A 78 -10.686 -11.443 -12.801 1.00 0.00 C ATOM 1148 CG ASP A 78 -12.114 -11.346 -12.263 1.00 0.00 C ATOM 1149 OD1 ASP A 78 -12.778 -12.369 -12.213 1.00 0.00 O ATOM 1150 OD2 ASP A 78 -12.521 -10.251 -11.911 1.00 0.00 O ATOM 0 H ASP A 78 -8.437 -11.120 -11.220 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.592 -13.190 -11.543 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.198 -10.470 -12.745 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.701 -11.732 -13.852 1.00 0.00 H new ATOM 1155 N LYS A 79 -8.250 -12.494 -13.763 1.00 0.00 N ATOM 1156 CA LYS A 79 -7.279 -13.153 -14.681 1.00 0.00 C ATOM 1157 C LYS A 79 -6.122 -12.194 -14.973 1.00 0.00 C ATOM 1158 O LYS A 79 -5.489 -12.268 -16.007 1.00 0.00 O ATOM 1159 CB LYS A 79 -7.982 -13.519 -15.989 1.00 0.00 C ATOM 1160 CG LYS A 79 -8.675 -12.281 -16.561 1.00 0.00 C ATOM 1161 CD LYS A 79 -9.224 -12.599 -17.953 1.00 0.00 C ATOM 1162 CE LYS A 79 -8.602 -11.647 -18.976 1.00 0.00 C ATOM 1163 NZ LYS A 79 -9.551 -10.531 -19.255 1.00 0.00 N ATOM 0 H LYS A 79 -8.335 -11.484 -13.874 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.891 -14.057 -14.212 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.259 -13.908 -16.706 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.712 -14.309 -15.813 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.485 -11.968 -15.902 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.971 -11.451 -16.617 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.998 -13.632 -18.217 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.309 -12.498 -17.959 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.660 -11.252 -18.596 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.374 -12.184 -19.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -9.130 -9.883 -19.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.439 -10.917 -19.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.747 -10.014 -18.374 1.00 0.00 H new ATOM 1177 N SER A 80 -5.843 -11.292 -14.071 1.00 0.00 N ATOM 1178 CA SER A 80 -4.729 -10.330 -14.298 1.00 0.00 C ATOM 1179 C SER A 80 -3.675 -10.501 -13.202 1.00 0.00 C ATOM 1180 O SER A 80 -3.801 -9.849 -12.180 1.00 0.00 O ATOM 1181 CB SER A 80 -5.274 -8.901 -14.262 1.00 0.00 C ATOM 1182 OG SER A 80 -4.239 -7.995 -14.617 1.00 0.00 O ATOM 1183 OXT SER A 80 -2.761 -11.284 -13.405 1.00 0.00 O ATOM 0 H SER A 80 -6.339 -11.181 -13.187 1.00 0.00 H new ATOM 0 HA SER A 80 -4.276 -10.522 -15.271 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.112 -8.802 -14.952 1.00 0.00 H new ATOM 0 HB3 SER A 80 -5.651 -8.668 -13.266 1.00 0.00 H new ATOM 0 HG SER A 80 -4.585 -7.078 -14.596 1.00 0.00 H new TER 1189 SER A 80