USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 565 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 62 GLN : amide:sc= 0.362 K(o=0.76,f=-1) USER MOD Set 1.2: A 69 GLN : amide:sc= 0.396 K(o=0.76,f=-0.44) USER MOD Set 2.1: A 46 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 50 MET CE :methyl 177:sc=-0.000189 (180deg=-0.0112) USER MOD Set 3.1: A 15 THR OG1 : rot -77:sc= 1.25 USER MOD Set 3.2: A 42 GLN : amide:sc= 0.3 K(o=1.6,f=-0.17) USER MOD Set 4.1: A 1 MET CE :methyl 149:sc= 0 (180deg=0) USER MOD Set 4.2: A 3 GLN : amide:sc= 0 K(o=-0.046,f=-1.1) USER MOD Set 4.3: A 6 GLN : amide:sc= -0.046 K(o=-0.046,f=-1) USER MOD Single : A 1 MET N :NH3+ -150:sc= 1.13 (180deg=0.365) USER MOD Single : A 2 GLN : amide:sc= 0.883 K(o=0.88,f=-4.3!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc=-0.000174 K(o=-0.00017,f=-1.1) USER MOD Single : A 13 SER OG : rot 74:sc= 0.0225 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc=-0.00478 X(o=-0.0048,f=-0.11) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 34 GLN : amide:sc= 0.707 K(o=0.71,f=-0.51) USER MOD Single : A 35 GLN : amide:sc= -0.0811 X(o=-0.081,f=-0.081) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 44 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD Single : A 45 HIS : no HD1:sc= -0.267 X(o=-0.27,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.2) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc=-0.000893 X(o=-0.00089,f=0) USER MOD Single : A 61 GLN : amide:sc=-0.00204 X(o=-0.002,f=-0.017) USER MOD Single : A 66 GLN : amide:sc= 0.379 X(o=0.38,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.843 -6.586 1.729 1.00 25.00 N ATOM 2 CA MET A 1 6.288 -5.325 1.111 1.00 25.00 C ATOM 3 C MET A 1 5.227 -4.568 0.309 1.00 25.00 C ATOM 4 O MET A 1 4.245 -5.090 -0.202 1.00 25.00 O ATOM 5 CB MET A 1 7.518 -5.578 0.200 1.00 25.00 C ATOM 6 CG MET A 1 7.156 -6.285 -1.133 1.00 25.00 C ATOM 7 SD MET A 1 6.743 -8.056 -0.941 1.00 25.00 S ATOM 8 CE MET A 1 5.472 -8.228 -2.235 1.00 25.00 C ATOM 0 H1 MET A 1 6.384 -6.755 2.601 1.00 25.00 H new ATOM 0 H2 MET A 1 4.830 -6.523 1.956 1.00 25.00 H new ATOM 0 H3 MET A 1 6.001 -7.372 1.066 1.00 25.00 H new ATOM 0 HA MET A 1 6.536 -4.684 1.957 1.00 25.00 H new ATOM 0 HB2 MET A 1 8.001 -4.626 -0.021 1.00 25.00 H new ATOM 0 HB3 MET A 1 8.244 -6.186 0.741 1.00 25.00 H new ATOM 0 HG2 MET A 1 6.309 -5.771 -1.587 1.00 25.00 H new ATOM 0 HG3 MET A 1 7.994 -6.190 -1.823 1.00 25.00 H new ATOM 0 HE1 MET A 1 5.500 -9.239 -2.640 1.00 25.00 H new ATOM 0 HE2 MET A 1 4.488 -8.036 -1.807 1.00 25.00 H new ATOM 0 HE3 MET A 1 5.666 -7.512 -3.033 1.00 25.00 H new ATOM 19 N GLN A 2 5.485 -3.261 0.122 1.00 25.00 N ATOM 20 CA GLN A 2 4.637 -2.427 -0.719 1.00 25.00 C ATOM 21 C GLN A 2 5.109 -2.558 -2.179 1.00 25.00 C ATOM 22 O GLN A 2 6.292 -2.436 -2.483 1.00 25.00 O ATOM 23 CB GLN A 2 4.626 -0.947 -0.231 1.00 25.00 C ATOM 24 CG GLN A 2 5.973 -0.154 -0.293 1.00 25.00 C ATOM 25 CD GLN A 2 6.897 -0.434 0.895 1.00 25.00 C ATOM 26 OE1 GLN A 2 7.474 -1.497 1.015 1.00 25.00 O ATOM 27 NE2 GLN A 2 7.065 0.541 1.751 1.00 25.00 N ATOM 0 H GLN A 2 6.273 -2.770 0.544 1.00 25.00 H new ATOM 0 HA GLN A 2 3.604 -2.769 -0.652 1.00 25.00 H new ATOM 0 HB2 GLN A 2 3.889 -0.404 -0.822 1.00 25.00 H new ATOM 0 HB3 GLN A 2 4.277 -0.936 0.802 1.00 25.00 H new ATOM 0 HG2 GLN A 2 6.493 -0.408 -1.217 1.00 25.00 H new ATOM 0 HG3 GLN A 2 5.756 0.914 -0.332 1.00 25.00 H new ATOM 0 HE21 GLN A 2 6.567 1.422 1.624 1.00 25.00 H new ATOM 0 HE22 GLN A 2 7.694 0.420 2.545 1.00 25.00 H new ATOM 36 N GLN A 3 4.190 -2.852 -3.083 1.00 25.00 N ATOM 37 CA GLN A 3 4.540 -3.041 -4.484 1.00 25.00 C ATOM 38 C GLN A 3 4.334 -1.776 -5.288 1.00 25.00 C ATOM 39 O GLN A 3 3.212 -1.463 -5.692 1.00 25.00 O ATOM 40 CB GLN A 3 3.716 -4.183 -5.091 1.00 25.00 C ATOM 41 CG GLN A 3 4.047 -5.540 -4.506 1.00 25.00 C ATOM 42 CD GLN A 3 3.357 -6.658 -5.268 1.00 25.00 C ATOM 43 OE1 GLN A 3 2.236 -6.505 -5.710 1.00 25.00 O ATOM 44 NE2 GLN A 3 4.040 -7.762 -5.452 1.00 25.00 N ATOM 0 H GLN A 3 3.198 -2.965 -2.875 1.00 25.00 H new ATOM 0 HA GLN A 3 5.599 -3.297 -4.524 1.00 25.00 H new ATOM 0 HB2 GLN A 3 2.656 -3.978 -4.938 1.00 25.00 H new ATOM 0 HB3 GLN A 3 3.883 -4.209 -6.168 1.00 25.00 H new ATOM 0 HG2 GLN A 3 5.126 -5.694 -4.529 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.743 -5.570 -3.460 1.00 25.00 H new ATOM 0 HE21 GLN A 3 4.979 -7.851 -5.064 1.00 25.00 H new ATOM 0 HE22 GLN A 3 3.632 -8.532 -5.983 1.00 25.00 H new ATOM 53 N LYS A 4 5.425 -1.067 -5.551 1.00 25.00 N ATOM 54 CA LYS A 4 5.369 0.192 -6.306 1.00 25.00 C ATOM 55 C LYS A 4 4.696 0.072 -7.671 1.00 25.00 C ATOM 56 O LYS A 4 4.048 1.002 -8.140 1.00 25.00 O ATOM 57 CB LYS A 4 6.791 0.763 -6.473 1.00 25.00 C ATOM 58 CG LYS A 4 7.436 1.220 -5.171 1.00 25.00 C ATOM 59 CD LYS A 4 8.861 1.720 -5.360 1.00 25.00 C ATOM 60 CE LYS A 4 8.903 3.091 -6.071 1.00 25.00 C ATOM 61 NZ LYS A 4 10.312 3.602 -6.241 1.00 25.00 N ATOM 0 H LYS A 4 6.363 -1.337 -5.255 1.00 25.00 H new ATOM 0 HA LYS A 4 4.746 0.869 -5.721 1.00 25.00 H new ATOM 0 HB2 LYS A 4 7.424 0.004 -6.932 1.00 25.00 H new ATOM 0 HB3 LYS A 4 6.753 1.606 -7.163 1.00 25.00 H new ATOM 0 HG2 LYS A 4 6.833 2.015 -4.732 1.00 25.00 H new ATOM 0 HG3 LYS A 4 7.438 0.392 -4.462 1.00 25.00 H new ATOM 0 HD2 LYS A 4 9.349 1.800 -4.389 1.00 25.00 H new ATOM 0 HD3 LYS A 4 9.427 0.992 -5.942 1.00 25.00 H new ATOM 0 HE2 LYS A 4 8.429 3.006 -7.049 1.00 25.00 H new ATOM 0 HE3 LYS A 4 8.323 3.814 -5.497 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 10.291 4.524 -6.722 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 10.758 3.709 -5.307 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 10.860 2.926 -6.811 1.00 25.00 H new ATOM 75 N GLN A 5 4.837 -1.079 -8.311 1.00 25.00 N ATOM 76 CA GLN A 5 4.264 -1.288 -9.631 1.00 25.00 C ATOM 77 C GLN A 5 2.727 -1.228 -9.658 1.00 25.00 C ATOM 78 O GLN A 5 2.153 -0.883 -10.673 1.00 25.00 O ATOM 79 CB GLN A 5 4.759 -2.618 -10.245 1.00 25.00 C ATOM 80 CG GLN A 5 4.193 -3.902 -9.615 1.00 25.00 C ATOM 81 CD GLN A 5 4.839 -5.143 -10.199 1.00 25.00 C ATOM 82 OE1 GLN A 5 5.857 -5.597 -9.724 1.00 25.00 O ATOM 83 NE2 GLN A 5 4.278 -5.652 -11.263 1.00 25.00 N ATOM 0 H GLN A 5 5.343 -1.882 -7.937 1.00 25.00 H new ATOM 0 HA GLN A 5 4.615 -0.454 -10.238 1.00 25.00 H new ATOM 0 HB2 GLN A 5 4.513 -2.619 -11.307 1.00 25.00 H new ATOM 0 HB3 GLN A 5 5.846 -2.648 -10.169 1.00 25.00 H new ATOM 0 HG2 GLN A 5 4.354 -3.880 -8.537 1.00 25.00 H new ATOM 0 HG3 GLN A 5 3.116 -3.942 -9.776 1.00 25.00 H new ATOM 0 HE21 GLN A 5 3.421 -5.242 -11.633 1.00 25.00 H new ATOM 0 HE22 GLN A 5 4.697 -6.460 -11.724 1.00 25.00 H new ATOM 92 N GLN A 6 2.067 -1.507 -8.537 1.00 25.00 N ATOM 93 CA GLN A 6 0.605 -1.439 -8.466 1.00 25.00 C ATOM 94 C GLN A 6 0.160 0.012 -8.645 1.00 25.00 C ATOM 95 O GLN A 6 -0.798 0.315 -9.359 1.00 25.00 O ATOM 96 CB GLN A 6 0.113 -1.904 -7.101 1.00 25.00 C ATOM 97 CG GLN A 6 0.320 -3.406 -6.826 1.00 25.00 C ATOM 98 CD GLN A 6 -0.103 -3.786 -5.416 1.00 25.00 C ATOM 99 OE1 GLN A 6 -0.054 -2.966 -4.508 1.00 25.00 O ATOM 100 NE2 GLN A 6 -0.520 -5.004 -5.229 1.00 25.00 N ATOM 0 H GLN A 6 2.518 -1.782 -7.665 1.00 25.00 H new ATOM 0 HA GLN A 6 0.195 -2.079 -9.247 1.00 25.00 H new ATOM 0 HB2 GLN A 6 0.627 -1.332 -6.329 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -0.949 -1.674 -7.014 1.00 25.00 H new ATOM 0 HG2 GLN A 6 -0.253 -3.990 -7.547 1.00 25.00 H new ATOM 0 HG3 GLN A 6 1.370 -3.661 -6.972 1.00 25.00 H new ATOM 0 HE21 GLN A 6 -0.547 -5.659 -6.010 1.00 25.00 H new ATOM 0 HE22 GLN A 6 -0.820 -5.304 -4.301 1.00 25.00 H new ATOM 109 N ILE A 7 0.885 0.905 -7.988 1.00 25.00 N ATOM 110 CA ILE A 7 0.580 2.315 -8.006 1.00 25.00 C ATOM 111 C ILE A 7 0.773 2.867 -9.424 1.00 25.00 C ATOM 112 O ILE A 7 -0.045 3.633 -9.917 1.00 25.00 O ATOM 113 CB ILE A 7 1.508 3.076 -6.971 1.00 25.00 C ATOM 114 CG1 ILE A 7 1.385 2.424 -5.576 1.00 25.00 C ATOM 115 CG2 ILE A 7 1.119 4.577 -6.894 1.00 25.00 C ATOM 116 CD1 ILE A 7 2.510 2.819 -4.630 1.00 25.00 C ATOM 0 H ILE A 7 1.703 0.664 -7.428 1.00 25.00 H new ATOM 0 HA ILE A 7 -0.459 2.470 -7.715 1.00 25.00 H new ATOM 0 HB ILE A 7 2.542 3.003 -7.309 1.00 25.00 H new ATOM 0 HG12 ILE A 7 0.430 2.706 -5.133 1.00 25.00 H new ATOM 0 HG13 ILE A 7 1.377 1.340 -5.688 1.00 25.00 H new ATOM 0 HG21 ILE A 7 1.766 5.084 -6.179 1.00 25.00 H new ATOM 0 HG22 ILE A 7 1.236 5.034 -7.877 1.00 25.00 H new ATOM 0 HG23 ILE A 7 0.081 4.668 -6.573 1.00 25.00 H new ATOM 0 HD11 ILE A 7 2.365 2.328 -3.668 1.00 25.00 H new ATOM 0 HD12 ILE A 7 3.466 2.512 -5.054 1.00 25.00 H new ATOM 0 HD13 ILE A 7 2.505 3.900 -4.490 1.00 25.00 H new ATOM 128 N MET A 8 1.834 2.415 -10.085 1.00 25.00 N ATOM 129 CA MET A 8 2.116 2.843 -11.453 1.00 25.00 C ATOM 130 C MET A 8 1.025 2.354 -12.394 1.00 25.00 C ATOM 131 O MET A 8 0.602 3.072 -13.289 1.00 25.00 O ATOM 132 CB MET A 8 3.490 2.328 -11.924 1.00 25.00 C ATOM 133 CG MET A 8 4.645 2.883 -11.108 1.00 25.00 C ATOM 134 SD MET A 8 6.252 2.537 -11.826 1.00 25.00 S ATOM 135 CE MET A 8 6.421 3.910 -13.044 1.00 25.00 C ATOM 0 H MET A 8 2.510 1.756 -9.699 1.00 25.00 H new ATOM 0 HA MET A 8 2.137 3.933 -11.467 1.00 25.00 H new ATOM 0 HB2 MET A 8 3.503 1.240 -11.867 1.00 25.00 H new ATOM 0 HB3 MET A 8 3.632 2.594 -12.971 1.00 25.00 H new ATOM 0 HG2 MET A 8 4.524 3.962 -11.007 1.00 25.00 H new ATOM 0 HG3 MET A 8 4.606 2.463 -10.103 1.00 25.00 H new ATOM 0 HE1 MET A 8 7.375 3.820 -13.564 1.00 25.00 H new ATOM 0 HE2 MET A 8 5.607 3.857 -13.767 1.00 25.00 H new ATOM 0 HE3 MET A 8 6.381 4.866 -12.522 1.00 25.00 H new ATOM 145 N ALA A 9 0.546 1.130 -12.183 1.00 25.00 N ATOM 146 CA ALA A 9 -0.509 0.581 -13.032 1.00 25.00 C ATOM 147 C ALA A 9 -1.787 1.425 -12.926 1.00 25.00 C ATOM 148 O ALA A 9 -2.445 1.701 -13.927 1.00 25.00 O ATOM 149 CB ALA A 9 -0.777 -0.888 -12.645 1.00 25.00 C ATOM 0 H ALA A 9 0.866 0.507 -11.442 1.00 25.00 H new ATOM 0 HA ALA A 9 -0.181 0.612 -14.071 1.00 25.00 H new ATOM 0 HB1 ALA A 9 -1.564 -1.294 -13.280 1.00 25.00 H new ATOM 0 HB2 ALA A 9 0.134 -1.471 -12.779 1.00 25.00 H new ATOM 0 HB3 ALA A 9 -1.090 -0.938 -11.602 1.00 25.00 H new ATOM 155 N ALA A 10 -2.118 1.846 -11.713 1.00 25.00 N ATOM 156 CA ALA A 10 -3.313 2.654 -11.484 1.00 25.00 C ATOM 157 C ALA A 10 -3.202 4.017 -12.182 1.00 25.00 C ATOM 158 O ALA A 10 -4.135 4.471 -12.842 1.00 25.00 O ATOM 159 CB ALA A 10 -3.519 2.848 -9.981 1.00 25.00 C ATOM 0 H ALA A 10 -1.578 1.643 -10.872 1.00 25.00 H new ATOM 0 HA ALA A 10 -4.171 2.130 -11.906 1.00 25.00 H new ATOM 0 HB1 ALA A 10 -4.411 3.451 -9.811 1.00 25.00 H new ATOM 0 HB2 ALA A 10 -3.641 1.876 -9.502 1.00 25.00 H new ATOM 0 HB3 ALA A 10 -2.652 3.355 -9.557 1.00 25.00 H new ATOM 165 N LEU A 11 -2.064 4.672 -11.988 1.00 25.00 N ATOM 166 CA LEU A 11 -1.851 5.996 -12.561 1.00 25.00 C ATOM 167 C LEU A 11 -1.832 5.931 -14.083 1.00 25.00 C ATOM 168 O LEU A 11 -2.279 6.846 -14.756 1.00 25.00 O ATOM 169 CB LEU A 11 -0.521 6.570 -12.064 1.00 25.00 C ATOM 170 CG LEU A 11 -0.464 6.996 -10.586 1.00 25.00 C ATOM 171 CD1 LEU A 11 0.977 7.336 -10.200 1.00 25.00 C ATOM 172 CD2 LEU A 11 -1.330 8.208 -10.297 1.00 25.00 C ATOM 0 H LEU A 11 -1.280 4.312 -11.443 1.00 25.00 H new ATOM 0 HA LEU A 11 -2.672 6.640 -12.246 1.00 25.00 H new ATOM 0 HB2 LEU A 11 0.256 5.825 -12.234 1.00 25.00 H new ATOM 0 HB3 LEU A 11 -0.273 7.436 -12.678 1.00 25.00 H new ATOM 0 HG LEU A 11 -0.841 6.156 -10.002 1.00 25.00 H new ATOM 0 HD11 LEU A 11 1.012 7.637 -9.153 1.00 25.00 H new ATOM 0 HD12 LEU A 11 1.609 6.460 -10.347 1.00 25.00 H new ATOM 0 HD13 LEU A 11 1.338 8.153 -10.825 1.00 25.00 H new ATOM 0 HD21 LEU A 11 -1.253 8.466 -9.241 1.00 25.00 H new ATOM 0 HD22 LEU A 11 -0.992 9.049 -10.902 1.00 25.00 H new ATOM 0 HD23 LEU A 11 -2.368 7.980 -10.540 1.00 25.00 H new ATOM 184 N ASN A 12 -1.330 4.833 -14.633 1.00 25.00 N ATOM 185 CA ASN A 12 -1.253 4.699 -16.080 1.00 25.00 C ATOM 186 C ASN A 12 -2.647 4.640 -16.692 1.00 25.00 C ATOM 187 O ASN A 12 -2.880 5.215 -17.747 1.00 25.00 O ATOM 188 CB ASN A 12 -0.479 3.432 -16.472 1.00 25.00 C ATOM 189 CG ASN A 12 1.011 3.595 -16.310 1.00 25.00 C ATOM 190 OD1 ASN A 12 1.496 4.597 -15.819 1.00 25.00 O ATOM 191 ND2 ASN A 12 1.747 2.606 -16.725 1.00 25.00 N ATOM 0 H ASN A 12 -0.975 4.034 -14.108 1.00 25.00 H new ATOM 0 HA ASN A 12 -0.727 5.574 -16.462 1.00 25.00 H new ATOM 0 HB2 ASN A 12 -0.819 2.598 -15.859 1.00 25.00 H new ATOM 0 HB3 ASN A 12 -0.703 3.178 -17.508 1.00 25.00 H new ATOM 0 HD21 ASN A 12 2.762 2.657 -16.643 1.00 25.00 H new ATOM 0 HD22 ASN A 12 1.309 1.780 -17.132 1.00 25.00 H new ATOM 198 N SER A 13 -3.591 3.989 -16.020 1.00 25.00 N ATOM 199 CA SER A 13 -4.968 3.919 -16.505 1.00 25.00 C ATOM 200 C SER A 13 -5.632 5.296 -16.499 1.00 25.00 C ATOM 201 O SER A 13 -6.414 5.603 -17.387 1.00 25.00 O ATOM 202 CB SER A 13 -5.783 2.951 -15.640 1.00 25.00 C ATOM 203 OG SER A 13 -5.232 1.642 -15.681 1.00 25.00 O ATOM 0 H SER A 13 -3.429 3.502 -15.138 1.00 25.00 H new ATOM 0 HA SER A 13 -4.941 3.557 -17.533 1.00 25.00 H new ATOM 0 HB2 SER A 13 -5.804 3.308 -14.610 1.00 25.00 H new ATOM 0 HB3 SER A 13 -6.815 2.926 -15.990 1.00 25.00 H new ATOM 0 HG SER A 13 -4.405 1.618 -15.155 1.00 25.00 H new ATOM 209 N GLN A 14 -5.317 6.113 -15.508 1.00 25.00 N ATOM 210 CA GLN A 14 -5.908 7.446 -15.388 1.00 25.00 C ATOM 211 C GLN A 14 -5.371 8.416 -16.431 1.00 25.00 C ATOM 212 O GLN A 14 -5.991 9.437 -16.704 1.00 25.00 O ATOM 213 CB GLN A 14 -5.630 8.045 -14.007 1.00 25.00 C ATOM 214 CG GLN A 14 -6.314 7.309 -12.875 1.00 25.00 C ATOM 215 CD GLN A 14 -6.104 8.011 -11.544 1.00 25.00 C ATOM 216 OE1 GLN A 14 -4.991 8.077 -11.037 1.00 25.00 O ATOM 217 NE2 GLN A 14 -7.175 8.516 -10.966 1.00 25.00 N ATOM 0 H GLN A 14 -4.653 5.880 -14.769 1.00 25.00 H new ATOM 0 HA GLN A 14 -6.979 7.312 -15.542 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -4.554 8.045 -13.831 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -5.954 9.086 -14.000 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -7.381 7.233 -13.082 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -5.927 6.292 -12.815 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -8.084 8.440 -11.422 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -7.095 8.983 -10.063 1.00 25.00 H new ATOM 226 N THR A 15 -4.213 8.119 -16.981 1.00 25.00 N ATOM 227 CA THR A 15 -3.516 9.041 -17.883 1.00 25.00 C ATOM 228 C THR A 15 -3.410 8.504 -19.306 1.00 25.00 C ATOM 229 O THR A 15 -2.869 9.169 -20.176 1.00 25.00 O ATOM 230 CB THR A 15 -2.112 9.339 -17.349 1.00 25.00 C ATOM 231 OG1 THR A 15 -1.405 8.115 -17.178 1.00 25.00 O ATOM 232 CG2 THR A 15 -2.172 10.024 -15.976 1.00 25.00 C ATOM 0 H THR A 15 -3.722 7.239 -16.823 1.00 25.00 H new ATOM 0 HA THR A 15 -4.109 9.955 -17.919 1.00 25.00 H new ATOM 0 HB THR A 15 -1.617 9.994 -18.066 1.00 25.00 H new ATOM 0 HG1 THR A 15 -1.711 7.672 -16.359 1.00 25.00 H new ATOM 0 HG21 THR A 15 -1.160 10.222 -15.624 1.00 25.00 H new ATOM 0 HG22 THR A 15 -2.717 10.964 -16.062 1.00 25.00 H new ATOM 0 HG23 THR A 15 -2.682 9.372 -15.266 1.00 25.00 H new ATOM 240 N ALA A 16 -3.946 7.313 -19.535 1.00 25.00 N ATOM 241 CA ALA A 16 -3.854 6.636 -20.830 1.00 25.00 C ATOM 242 C ALA A 16 -4.260 7.512 -22.004 1.00 25.00 C ATOM 243 O ALA A 16 -3.428 7.836 -22.840 1.00 25.00 O ATOM 244 CB ALA A 16 -4.698 5.339 -20.795 1.00 25.00 C ATOM 0 H ALA A 16 -4.459 6.784 -18.829 1.00 25.00 H new ATOM 0 HA ALA A 16 -2.803 6.395 -20.992 1.00 25.00 H new ATOM 0 HB1 ALA A 16 -4.630 4.835 -21.759 1.00 25.00 H new ATOM 0 HB2 ALA A 16 -4.320 4.680 -20.013 1.00 25.00 H new ATOM 0 HB3 ALA A 16 -5.739 5.588 -20.588 1.00 25.00 H new ATOM 250 N VAL A 17 -5.529 7.881 -22.060 1.00 25.00 N ATOM 251 CA VAL A 17 -6.017 8.713 -23.167 1.00 25.00 C ATOM 252 C VAL A 17 -5.616 10.181 -22.959 1.00 25.00 C ATOM 253 O VAL A 17 -5.429 10.941 -23.916 1.00 25.00 O ATOM 254 CB VAL A 17 -7.554 8.542 -23.384 1.00 25.00 C ATOM 255 CG1 VAL A 17 -8.361 9.218 -22.247 1.00 25.00 C ATOM 256 CG2 VAL A 17 -7.960 9.104 -24.741 1.00 25.00 C ATOM 0 H VAL A 17 -6.235 7.627 -21.369 1.00 25.00 H new ATOM 0 HA VAL A 17 -5.539 8.371 -24.085 1.00 25.00 H new ATOM 0 HB VAL A 17 -7.783 7.477 -23.363 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -9.427 9.081 -22.427 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -8.093 8.766 -21.292 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -8.131 10.283 -22.221 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -9.034 8.979 -24.880 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -7.710 10.164 -24.786 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -7.427 8.572 -25.529 1.00 25.00 H new ATOM 266 N GLN A 18 -5.449 10.583 -21.708 1.00 25.00 N ATOM 267 CA GLN A 18 -5.132 11.969 -21.386 1.00 25.00 C ATOM 268 C GLN A 18 -3.802 12.387 -21.990 1.00 25.00 C ATOM 269 O GLN A 18 -3.684 13.449 -22.608 1.00 25.00 O ATOM 270 CB GLN A 18 -5.071 12.150 -19.866 1.00 25.00 C ATOM 271 CG GLN A 18 -6.261 12.896 -19.307 1.00 25.00 C ATOM 272 CD GLN A 18 -7.566 12.163 -19.567 1.00 25.00 C ATOM 273 OE1 GLN A 18 -7.672 10.970 -19.356 1.00 25.00 O ATOM 274 NE2 GLN A 18 -8.542 12.876 -20.069 1.00 25.00 N ATOM 0 H GLN A 18 -5.528 9.969 -20.897 1.00 25.00 H new ATOM 0 HA GLN A 18 -5.918 12.597 -21.807 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -5.009 11.170 -19.392 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -4.159 12.688 -19.607 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -6.131 13.034 -18.234 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -6.308 13.889 -19.753 1.00 25.00 H new ATOM 0 HE21 GLN A 18 -8.413 13.875 -20.231 1.00 25.00 H new ATOM 0 HE22 GLN A 18 -9.432 12.433 -20.298 1.00 25.00 H new ATOM 283 N PHE A 19 -2.792 11.548 -21.831 1.00 25.00 N ATOM 284 CA PHE A 19 -1.467 11.880 -22.353 1.00 25.00 C ATOM 285 C PHE A 19 -1.409 11.552 -23.830 1.00 25.00 C ATOM 286 O PHE A 19 -0.595 12.119 -24.541 1.00 25.00 O ATOM 287 CB PHE A 19 -0.385 11.129 -21.590 1.00 25.00 C ATOM 288 CG PHE A 19 -0.180 11.617 -20.166 1.00 25.00 C ATOM 289 CD1 PHE A 19 -0.765 12.817 -19.680 1.00 25.00 C ATOM 290 CD2 PHE A 19 0.638 10.869 -19.303 1.00 25.00 C ATOM 291 CE1 PHE A 19 -0.531 13.242 -18.356 1.00 25.00 C ATOM 292 CE2 PHE A 19 0.882 11.300 -17.966 1.00 25.00 C ATOM 293 CZ PHE A 19 0.294 12.483 -17.497 1.00 25.00 C ATOM 0 H PHE A 19 -2.855 10.648 -21.355 1.00 25.00 H new ATOM 0 HA PHE A 19 -1.288 12.947 -22.219 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -0.640 10.070 -21.567 1.00 25.00 H new ATOM 0 HB3 PHE A 19 0.556 11.218 -22.133 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -1.394 13.408 -20.329 1.00 25.00 H new ATOM 0 HD2 PHE A 19 1.089 9.954 -19.658 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -0.985 14.153 -17.997 1.00 25.00 H new ATOM 0 HE2 PHE A 19 1.518 10.717 -17.316 1.00 25.00 H new ATOM 0 HZ PHE A 19 0.471 12.812 -16.484 1.00 25.00 H new ATOM 303 N GLN A 20 -2.303 10.700 -24.316 1.00 25.00 N ATOM 304 CA GLN A 20 -2.315 10.372 -25.742 1.00 25.00 C ATOM 305 C GLN A 20 -2.663 11.604 -26.593 1.00 25.00 C ATOM 306 O GLN A 20 -2.033 11.834 -27.627 1.00 25.00 O ATOM 307 CB GLN A 20 -3.316 9.259 -26.029 1.00 25.00 C ATOM 308 CG GLN A 20 -3.228 8.715 -27.461 1.00 25.00 C ATOM 309 CD GLN A 20 -4.099 7.508 -27.660 1.00 25.00 C ATOM 310 OE1 GLN A 20 -5.138 7.357 -27.044 1.00 25.00 O ATOM 311 NE2 GLN A 20 -3.672 6.626 -28.517 1.00 25.00 N ATOM 0 H GLN A 20 -3.017 10.230 -23.760 1.00 25.00 H new ATOM 0 HA GLN A 20 -1.314 10.034 -26.008 1.00 25.00 H new ATOM 0 HB2 GLN A 20 -3.151 8.442 -25.327 1.00 25.00 H new ATOM 0 HB3 GLN A 20 -4.324 9.633 -25.851 1.00 25.00 H new ATOM 0 HG2 GLN A 20 -3.523 9.494 -28.163 1.00 25.00 H new ATOM 0 HG3 GLN A 20 -2.194 8.457 -27.688 1.00 25.00 H new ATOM 0 HE21 GLN A 20 -2.797 6.783 -29.017 1.00 25.00 H new ATOM 0 HE22 GLN A 20 -4.213 5.778 -28.689 1.00 25.00 H new ATOM 320 N GLN A 21 -3.629 12.399 -26.145 1.00 25.00 N ATOM 321 CA GLN A 21 -4.004 13.606 -26.877 1.00 25.00 C ATOM 322 C GLN A 21 -2.817 14.569 -26.948 1.00 25.00 C ATOM 323 O GLN A 21 -2.543 15.149 -27.993 1.00 25.00 O ATOM 324 CB GLN A 21 -5.217 14.276 -26.231 1.00 25.00 C ATOM 325 CG GLN A 21 -6.477 13.396 -26.290 1.00 25.00 C ATOM 326 CD GLN A 21 -7.708 14.091 -25.752 1.00 25.00 C ATOM 327 OE1 GLN A 21 -7.632 15.110 -25.088 1.00 25.00 O ATOM 328 NE2 GLN A 21 -8.862 13.534 -26.042 1.00 25.00 N ATOM 0 H GLN A 21 -4.161 12.234 -25.290 1.00 25.00 H new ATOM 0 HA GLN A 21 -4.281 13.327 -27.893 1.00 25.00 H new ATOM 0 HB2 GLN A 21 -4.989 14.508 -25.191 1.00 25.00 H new ATOM 0 HB3 GLN A 21 -5.415 15.223 -26.733 1.00 25.00 H new ATOM 0 HG2 GLN A 21 -6.657 13.097 -27.323 1.00 25.00 H new ATOM 0 HG3 GLN A 21 -6.303 12.483 -25.720 1.00 25.00 H new ATOM 0 HE21 GLN A 21 -8.891 12.681 -26.600 1.00 25.00 H new ATOM 0 HE22 GLN A 21 -9.729 13.955 -25.709 1.00 25.00 H new ATOM 337 N TYR A 22 -2.077 14.690 -25.858 1.00 25.00 N ATOM 338 CA TYR A 22 -0.878 15.523 -25.837 1.00 25.00 C ATOM 339 C TYR A 22 0.225 14.938 -26.731 1.00 25.00 C ATOM 340 O TYR A 22 0.907 15.663 -27.456 1.00 25.00 O ATOM 341 CB TYR A 22 -0.358 15.633 -24.391 1.00 25.00 C ATOM 342 CG TYR A 22 0.974 16.352 -24.305 1.00 25.00 C ATOM 343 CD1 TYR A 22 1.021 17.757 -24.232 1.00 25.00 C ATOM 344 CD2 TYR A 22 2.178 15.638 -24.288 1.00 25.00 C ATOM 345 CE1 TYR A 22 2.255 18.444 -24.161 1.00 25.00 C ATOM 346 CE2 TYR A 22 3.422 16.322 -24.207 1.00 25.00 C ATOM 347 CZ TYR A 22 3.444 17.716 -24.158 1.00 25.00 C ATOM 348 OH TYR A 22 4.636 18.371 -24.089 1.00 25.00 O ATOM 0 H TYR A 22 -2.282 14.223 -24.975 1.00 25.00 H new ATOM 0 HA TYR A 22 -1.141 16.509 -26.220 1.00 25.00 H new ATOM 0 HB2 TYR A 22 -1.092 16.162 -23.784 1.00 25.00 H new ATOM 0 HB3 TYR A 22 -0.255 14.634 -23.968 1.00 25.00 H new ATOM 0 HD1 TYR A 22 0.099 18.320 -24.230 1.00 25.00 H new ATOM 0 HD2 TYR A 22 2.162 14.559 -24.337 1.00 25.00 H new ATOM 0 HE1 TYR A 22 2.276 19.523 -24.110 1.00 25.00 H new ATOM 0 HE2 TYR A 22 4.347 15.764 -24.183 1.00 25.00 H new ATOM 0 HH TYR A 22 5.368 17.720 -24.096 1.00 25.00 H new ATOM 358 N ALA A 23 0.393 13.625 -26.688 1.00 25.00 N ATOM 359 CA ALA A 23 1.404 12.957 -27.480 1.00 25.00 C ATOM 360 C ALA A 23 1.169 13.174 -28.965 1.00 25.00 C ATOM 361 O ALA A 23 2.114 13.346 -29.718 1.00 25.00 O ATOM 362 CB ALA A 23 1.438 11.475 -27.142 1.00 25.00 C ATOM 0 H ALA A 23 -0.165 13.000 -26.106 1.00 25.00 H new ATOM 0 HA ALA A 23 2.374 13.390 -27.237 1.00 25.00 H new ATOM 0 HB1 ALA A 23 2.202 10.982 -27.743 1.00 25.00 H new ATOM 0 HB2 ALA A 23 1.671 11.348 -26.085 1.00 25.00 H new ATOM 0 HB3 ALA A 23 0.466 11.031 -27.355 1.00 25.00 H new ATOM 368 N ALA A 24 -0.078 13.184 -29.391 1.00 25.00 N ATOM 369 CA ALA A 24 -0.394 13.394 -30.800 1.00 25.00 C ATOM 370 C ALA A 24 -0.028 14.803 -31.264 1.00 25.00 C ATOM 371 O ALA A 24 0.243 15.010 -32.442 1.00 25.00 O ATOM 372 CB ALA A 24 -1.876 13.135 -31.045 1.00 25.00 C ATOM 0 H ALA A 24 -0.890 13.050 -28.789 1.00 25.00 H new ATOM 0 HA ALA A 24 0.203 12.690 -31.380 1.00 25.00 H new ATOM 0 HB1 ALA A 24 -2.104 13.294 -32.099 1.00 25.00 H new ATOM 0 HB2 ALA A 24 -2.116 12.107 -30.773 1.00 25.00 H new ATOM 0 HB3 ALA A 24 -2.470 13.819 -30.438 1.00 25.00 H new ATOM 378 N GLN A 25 0.021 15.753 -30.341 1.00 25.00 N ATOM 379 CA GLN A 25 0.343 17.135 -30.688 1.00 25.00 C ATOM 380 C GLN A 25 1.850 17.293 -30.830 1.00 25.00 C ATOM 381 O GLN A 25 2.310 18.181 -31.534 1.00 25.00 O ATOM 382 CB GLN A 25 -0.188 18.063 -29.579 1.00 25.00 C ATOM 383 CG GLN A 25 -1.081 19.186 -30.089 1.00 25.00 C ATOM 384 CD GLN A 25 -0.299 20.265 -30.810 1.00 25.00 C ATOM 385 OE1 GLN A 25 0.282 21.125 -30.185 1.00 25.00 O ATOM 386 NE2 GLN A 25 -0.284 20.217 -32.129 1.00 25.00 N ATOM 0 H GLN A 25 -0.157 15.596 -29.349 1.00 25.00 H new ATOM 0 HA GLN A 25 -0.124 17.398 -31.637 1.00 25.00 H new ATOM 0 HB2 GLN A 25 -0.747 17.467 -28.857 1.00 25.00 H new ATOM 0 HB3 GLN A 25 0.658 18.498 -29.047 1.00 25.00 H new ATOM 0 HG2 GLN A 25 -1.830 18.772 -30.764 1.00 25.00 H new ATOM 0 HG3 GLN A 25 -1.617 19.629 -29.250 1.00 25.00 H new ATOM 0 HE21 GLN A 25 -0.786 19.476 -32.618 1.00 25.00 H new ATOM 0 HE22 GLN A 25 0.230 20.921 -32.659 1.00 25.00 H new ATOM 395 N GLN A 26 2.612 16.431 -30.164 1.00 25.00 N ATOM 396 CA GLN A 26 4.080 16.500 -30.218 1.00 25.00 C ATOM 397 C GLN A 26 4.649 15.642 -31.328 1.00 25.00 C ATOM 398 O GLN A 26 5.539 16.061 -32.044 1.00 25.00 O ATOM 399 CB GLN A 26 4.662 16.030 -28.890 1.00 25.00 C ATOM 400 CG GLN A 26 4.574 17.069 -27.780 1.00 25.00 C ATOM 401 CD GLN A 26 5.745 18.031 -27.798 1.00 25.00 C ATOM 402 OE1 GLN A 26 6.856 17.656 -27.477 1.00 25.00 O ATOM 403 NE2 GLN A 26 5.498 19.262 -28.163 1.00 25.00 N ATOM 0 H GLN A 26 2.246 15.678 -29.582 1.00 25.00 H new ATOM 0 HA GLN A 26 4.351 17.537 -30.415 1.00 25.00 H new ATOM 0 HB2 GLN A 26 4.139 15.128 -28.573 1.00 25.00 H new ATOM 0 HB3 GLN A 26 5.707 15.757 -29.038 1.00 25.00 H new ATOM 0 HG2 GLN A 26 3.645 17.629 -27.883 1.00 25.00 H new ATOM 0 HG3 GLN A 26 4.536 16.564 -26.815 1.00 25.00 H new ATOM 0 HE21 GLN A 26 4.551 19.536 -28.425 1.00 25.00 H new ATOM 0 HE22 GLN A 26 6.252 19.948 -28.186 1.00 25.00 H new ATOM 412 N TYR A 27 4.137 14.427 -31.460 1.00 25.00 N ATOM 413 CA TYR A 27 4.626 13.501 -32.485 1.00 25.00 C ATOM 414 C TYR A 27 3.484 13.057 -33.391 1.00 25.00 C ATOM 415 O TYR A 27 3.015 11.914 -33.324 1.00 25.00 O ATOM 416 CB TYR A 27 5.303 12.285 -31.847 1.00 25.00 C ATOM 417 CG TYR A 27 6.464 12.635 -30.950 1.00 25.00 C ATOM 418 CD1 TYR A 27 7.451 13.578 -31.357 1.00 25.00 C ATOM 419 CD2 TYR A 27 6.614 12.027 -29.689 1.00 25.00 C ATOM 420 CE1 TYR A 27 8.546 13.915 -30.501 1.00 25.00 C ATOM 421 CE2 TYR A 27 7.713 12.352 -28.849 1.00 25.00 C ATOM 422 CZ TYR A 27 8.661 13.296 -29.254 1.00 25.00 C ATOM 423 OH TYR A 27 9.702 13.602 -28.420 1.00 25.00 O ATOM 0 H TYR A 27 3.387 14.056 -30.876 1.00 25.00 H new ATOM 0 HA TYR A 27 5.367 14.026 -33.088 1.00 25.00 H new ATOM 0 HB2 TYR A 27 4.563 11.731 -31.269 1.00 25.00 H new ATOM 0 HB3 TYR A 27 5.654 11.620 -32.637 1.00 25.00 H new ATOM 0 HD1 TYR A 27 7.371 14.046 -32.327 1.00 25.00 H new ATOM 0 HD2 TYR A 27 5.884 11.304 -29.356 1.00 25.00 H new ATOM 0 HE1 TYR A 27 9.279 14.643 -30.816 1.00 25.00 H new ATOM 0 HE2 TYR A 27 7.817 11.866 -27.890 1.00 25.00 H new ATOM 0 HH TYR A 27 9.625 13.079 -27.595 1.00 25.00 H new ATOM 433 N PRO A 28 2.967 13.972 -34.218 1.00 25.00 N ATOM 434 CA PRO A 28 1.813 13.558 -35.018 1.00 25.00 C ATOM 435 C PRO A 28 2.166 12.530 -36.082 1.00 25.00 C ATOM 436 O PRO A 28 3.196 12.610 -36.727 1.00 25.00 O ATOM 437 CB PRO A 28 1.351 14.887 -35.640 1.00 25.00 C ATOM 438 CG PRO A 28 2.577 15.676 -35.777 1.00 25.00 C ATOM 439 CD PRO A 28 3.344 15.371 -34.501 1.00 25.00 C ATOM 0 HA PRO A 28 1.047 13.057 -34.425 1.00 25.00 H new ATOM 0 HB2 PRO A 28 0.872 14.727 -36.606 1.00 25.00 H new ATOM 0 HB3 PRO A 28 0.624 15.391 -35.003 1.00 25.00 H new ATOM 0 HG2 PRO A 28 3.142 15.387 -36.663 1.00 25.00 H new ATOM 0 HG3 PRO A 28 2.360 16.740 -35.870 1.00 25.00 H new ATOM 0 HD2 PRO A 28 4.420 15.480 -34.640 1.00 25.00 H new ATOM 0 HD3 PRO A 28 3.059 16.039 -33.688 1.00 25.00 H new ATOM 447 N GLY A 29 1.310 11.538 -36.233 1.00 25.00 N ATOM 448 CA GLY A 29 1.534 10.484 -37.209 1.00 25.00 C ATOM 449 C GLY A 29 2.421 9.348 -36.737 1.00 25.00 C ATOM 450 O GLY A 29 2.460 8.297 -37.355 1.00 25.00 O ATOM 0 H GLY A 29 0.451 11.438 -35.692 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.569 10.072 -37.504 1.00 25.00 H new ATOM 0 HA3 GLY A 29 1.979 10.925 -38.101 1.00 25.00 H new ATOM 454 N ASN A 30 3.117 9.537 -35.624 1.00 25.00 N ATOM 455 CA ASN A 30 4.059 8.548 -35.121 1.00 25.00 C ATOM 456 C ASN A 30 3.518 7.862 -33.898 1.00 25.00 C ATOM 457 O ASN A 30 3.799 8.272 -32.767 1.00 25.00 O ATOM 458 CB ASN A 30 5.402 9.201 -34.777 1.00 25.00 C ATOM 459 CG ASN A 30 6.201 9.547 -36.005 1.00 25.00 C ATOM 460 OD1 ASN A 30 5.800 10.349 -36.809 1.00 25.00 O ATOM 461 ND2 ASN A 30 7.314 8.887 -36.183 1.00 25.00 N ATOM 0 H ASN A 30 3.045 10.375 -35.048 1.00 25.00 H new ATOM 0 HA ASN A 30 4.208 7.810 -35.909 1.00 25.00 H new ATOM 0 HB2 ASN A 30 5.225 10.105 -34.195 1.00 25.00 H new ATOM 0 HB3 ASN A 30 5.981 8.525 -34.148 1.00 25.00 H new ATOM 0 HD21 ASN A 30 7.871 9.044 -37.023 1.00 25.00 H new ATOM 0 HD22 ASN A 30 7.626 8.214 -35.482 1.00 25.00 H new ATOM 468 N TYR A 31 2.763 6.799 -34.133 1.00 25.00 N ATOM 469 CA TYR A 31 2.154 6.026 -33.054 1.00 25.00 C ATOM 470 C TYR A 31 3.212 5.531 -32.066 1.00 25.00 C ATOM 471 O TYR A 31 3.046 5.646 -30.855 1.00 25.00 O ATOM 472 CB TYR A 31 1.404 4.836 -33.643 1.00 25.00 C ATOM 473 CG TYR A 31 1.112 3.756 -32.618 1.00 25.00 C ATOM 474 CD1 TYR A 31 0.054 3.888 -31.693 1.00 25.00 C ATOM 475 CD2 TYR A 31 1.891 2.577 -32.574 1.00 25.00 C ATOM 476 CE1 TYR A 31 -0.210 2.893 -30.725 1.00 25.00 C ATOM 477 CE2 TYR A 31 1.619 1.566 -31.622 1.00 25.00 C ATOM 478 CZ TYR A 31 0.576 1.741 -30.702 1.00 25.00 C ATOM 479 OH TYR A 31 0.311 0.768 -29.778 1.00 25.00 O ATOM 0 H TYR A 31 2.555 6.448 -35.068 1.00 25.00 H new ATOM 0 HA TYR A 31 1.461 6.672 -32.515 1.00 25.00 H new ATOM 0 HB2 TYR A 31 0.465 5.183 -34.076 1.00 25.00 H new ATOM 0 HB3 TYR A 31 1.991 4.409 -34.456 1.00 25.00 H new ATOM 0 HD1 TYR A 31 -0.568 4.770 -31.726 1.00 25.00 H new ATOM 0 HD2 TYR A 31 2.703 2.447 -33.275 1.00 25.00 H new ATOM 0 HE1 TYR A 31 -1.011 3.023 -30.012 1.00 25.00 H new ATOM 0 HE2 TYR A 31 2.212 0.664 -31.604 1.00 25.00 H new ATOM 0 HH TYR A 31 0.944 0.029 -29.891 1.00 25.00 H new ATOM 489 N GLU A 32 4.319 5.033 -32.588 1.00 25.00 N ATOM 490 CA GLU A 32 5.402 4.526 -31.750 1.00 25.00 C ATOM 491 C GLU A 32 5.967 5.616 -30.826 1.00 25.00 C ATOM 492 O GLU A 32 6.098 5.413 -29.629 1.00 25.00 O ATOM 493 CB GLU A 32 6.504 3.948 -32.642 1.00 25.00 C ATOM 494 CG GLU A 32 7.069 4.914 -33.674 1.00 25.00 C ATOM 495 CD GLU A 32 7.745 4.185 -34.804 1.00 25.00 C ATOM 496 OE1 GLU A 32 7.038 3.477 -35.561 1.00 25.00 O ATOM 497 OE2 GLU A 32 8.973 4.302 -34.931 1.00 25.00 O ATOM 0 H GLU A 32 4.496 4.967 -33.590 1.00 25.00 H new ATOM 0 HA GLU A 32 5.002 3.741 -31.108 1.00 25.00 H new ATOM 0 HB2 GLU A 32 7.319 3.600 -32.007 1.00 25.00 H new ATOM 0 HB3 GLU A 32 6.109 3.075 -33.162 1.00 25.00 H new ATOM 0 HG2 GLU A 32 6.266 5.535 -34.070 1.00 25.00 H new ATOM 0 HG3 GLU A 32 7.782 5.584 -33.194 1.00 25.00 H new ATOM 504 N GLN A 33 6.248 6.794 -31.364 1.00 25.00 N ATOM 505 CA GLN A 33 6.833 7.873 -30.558 1.00 25.00 C ATOM 506 C GLN A 33 5.833 8.400 -29.564 1.00 25.00 C ATOM 507 O GLN A 33 6.182 8.756 -28.442 1.00 25.00 O ATOM 508 CB GLN A 33 7.322 9.035 -31.418 1.00 25.00 C ATOM 509 CG GLN A 33 8.524 8.725 -32.242 1.00 25.00 C ATOM 510 CD GLN A 33 9.034 9.959 -32.982 1.00 25.00 C ATOM 511 OE1 GLN A 33 8.275 10.622 -33.672 1.00 25.00 O ATOM 512 NE2 GLN A 33 10.296 10.274 -32.829 1.00 25.00 N ATOM 0 H GLN A 33 6.086 7.032 -32.342 1.00 25.00 H new ATOM 0 HA GLN A 33 7.687 7.440 -30.038 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.514 9.348 -32.079 1.00 25.00 H new ATOM 0 HB3 GLN A 33 7.549 9.881 -30.770 1.00 25.00 H new ATOM 0 HG2 GLN A 33 9.314 8.333 -31.601 1.00 25.00 H new ATOM 0 HG3 GLN A 33 8.280 7.944 -32.962 1.00 25.00 H new ATOM 0 HE21 GLN A 33 10.899 9.695 -32.244 1.00 25.00 H new ATOM 0 HE22 GLN A 33 10.676 11.098 -33.295 1.00 25.00 H new ATOM 521 N GLN A 34 4.576 8.419 -29.949 1.00 25.00 N ATOM 522 CA GLN A 34 3.524 8.851 -29.036 1.00 25.00 C ATOM 523 C GLN A 34 3.495 7.938 -27.802 1.00 25.00 C ATOM 524 O GLN A 34 3.293 8.409 -26.690 1.00 25.00 O ATOM 525 CB GLN A 34 2.159 8.821 -29.735 1.00 25.00 C ATOM 526 CG GLN A 34 1.929 9.994 -30.676 1.00 25.00 C ATOM 527 CD GLN A 34 0.631 9.873 -31.432 1.00 25.00 C ATOM 528 OE1 GLN A 34 -0.330 9.294 -30.954 1.00 25.00 O ATOM 529 NE2 GLN A 34 0.611 10.391 -32.634 1.00 25.00 N ATOM 0 H GLN A 34 4.253 8.145 -30.877 1.00 25.00 H new ATOM 0 HA GLN A 34 3.735 9.874 -28.724 1.00 25.00 H new ATOM 0 HB2 GLN A 34 2.069 7.892 -30.298 1.00 25.00 H new ATOM 0 HB3 GLN A 34 1.374 8.813 -28.979 1.00 25.00 H new ATOM 0 HG2 GLN A 34 1.929 10.922 -30.104 1.00 25.00 H new ATOM 0 HG3 GLN A 34 2.755 10.057 -31.384 1.00 25.00 H new ATOM 0 HE21 GLN A 34 1.436 10.868 -32.998 1.00 25.00 H new ATOM 0 HE22 GLN A 34 -0.230 10.318 -33.207 1.00 25.00 H new ATOM 538 N GLN A 35 3.732 6.646 -27.991 1.00 25.00 N ATOM 539 CA GLN A 35 3.689 5.702 -26.866 1.00 25.00 C ATOM 540 C GLN A 35 4.900 5.931 -25.954 1.00 25.00 C ATOM 541 O GLN A 35 4.800 5.897 -24.723 1.00 25.00 O ATOM 542 CB GLN A 35 3.677 4.254 -27.363 1.00 25.00 C ATOM 543 CG GLN A 35 2.372 3.845 -28.041 1.00 25.00 C ATOM 544 CD GLN A 35 1.202 3.787 -27.088 1.00 25.00 C ATOM 545 OE1 GLN A 35 1.223 3.083 -26.095 1.00 25.00 O ATOM 546 NE2 GLN A 35 0.185 4.545 -27.372 1.00 25.00 N ATOM 0 H GLN A 35 3.953 6.227 -28.894 1.00 25.00 H new ATOM 0 HA GLN A 35 2.771 5.876 -26.305 1.00 25.00 H new ATOM 0 HB2 GLN A 35 4.499 4.114 -28.065 1.00 25.00 H new ATOM 0 HB3 GLN A 35 3.861 3.589 -26.519 1.00 25.00 H new ATOM 0 HG2 GLN A 35 2.148 4.552 -28.840 1.00 25.00 H new ATOM 0 HG3 GLN A 35 2.502 2.868 -28.507 1.00 25.00 H new ATOM 0 HE21 GLN A 35 0.199 5.123 -28.212 1.00 25.00 H new ATOM 0 HE22 GLN A 35 -0.627 4.562 -26.755 1.00 25.00 H new ATOM 555 N ILE A 36 6.050 6.181 -26.565 1.00 25.00 N ATOM 556 CA ILE A 36 7.288 6.442 -25.817 1.00 25.00 C ATOM 557 C ILE A 36 7.112 7.704 -24.963 1.00 25.00 C ATOM 558 O ILE A 36 7.515 7.728 -23.794 1.00 25.00 O ATOM 559 CB ILE A 36 8.481 6.651 -26.786 1.00 25.00 C ATOM 560 CG1 ILE A 36 8.712 5.362 -27.608 1.00 25.00 C ATOM 561 CG2 ILE A 36 9.776 7.026 -26.020 1.00 25.00 C ATOM 562 CD1 ILE A 36 9.637 5.561 -28.826 1.00 25.00 C ATOM 0 H ILE A 36 6.159 6.210 -27.579 1.00 25.00 H new ATOM 0 HA ILE A 36 7.495 5.582 -25.181 1.00 25.00 H new ATOM 0 HB ILE A 36 8.236 7.477 -27.454 1.00 25.00 H new ATOM 0 HG12 ILE A 36 9.141 4.599 -26.958 1.00 25.00 H new ATOM 0 HG13 ILE A 36 7.749 4.984 -27.952 1.00 25.00 H new ATOM 0 HG21 ILE A 36 10.591 7.165 -26.730 1.00 25.00 H new ATOM 0 HG22 ILE A 36 9.616 7.951 -25.466 1.00 25.00 H new ATOM 0 HG23 ILE A 36 10.032 6.226 -25.325 1.00 25.00 H new ATOM 0 HD11 ILE A 36 9.752 4.614 -29.354 1.00 25.00 H new ATOM 0 HD12 ILE A 36 9.200 6.300 -29.498 1.00 25.00 H new ATOM 0 HD13 ILE A 36 10.613 5.910 -28.489 1.00 25.00 H new ATOM 574 N LEU A 37 6.504 8.738 -25.531 1.00 25.00 N ATOM 575 CA LEU A 37 6.317 9.993 -24.820 1.00 25.00 C ATOM 576 C LEU A 37 5.411 9.817 -23.612 1.00 25.00 C ATOM 577 O LEU A 37 5.741 10.250 -22.519 1.00 25.00 O ATOM 578 CB LEU A 37 5.740 11.049 -25.766 1.00 25.00 C ATOM 579 CG LEU A 37 5.567 12.471 -25.197 1.00 25.00 C ATOM 580 CD1 LEU A 37 6.824 13.012 -24.550 1.00 25.00 C ATOM 581 CD2 LEU A 37 5.135 13.410 -26.319 1.00 25.00 C ATOM 0 H LEU A 37 6.133 8.731 -26.481 1.00 25.00 H new ATOM 0 HA LEU A 37 7.290 10.326 -24.460 1.00 25.00 H new ATOM 0 HB2 LEU A 37 6.386 11.110 -26.642 1.00 25.00 H new ATOM 0 HB3 LEU A 37 4.767 10.700 -26.111 1.00 25.00 H new ATOM 0 HG LEU A 37 4.808 12.413 -24.417 1.00 25.00 H new ATOM 0 HD11 LEU A 37 6.635 14.016 -24.170 1.00 25.00 H new ATOM 0 HD12 LEU A 37 7.118 12.362 -23.726 1.00 25.00 H new ATOM 0 HD13 LEU A 37 7.626 13.048 -25.287 1.00 25.00 H new ATOM 0 HD21 LEU A 37 5.011 14.418 -25.923 1.00 25.00 H new ATOM 0 HD22 LEU A 37 5.896 13.418 -27.100 1.00 25.00 H new ATOM 0 HD23 LEU A 37 4.189 13.066 -26.738 1.00 25.00 H new ATOM 593 N ILE A 38 4.293 9.138 -23.802 1.00 25.00 N ATOM 594 CA ILE A 38 3.362 8.853 -22.709 1.00 25.00 C ATOM 595 C ILE A 38 4.089 8.122 -21.573 1.00 25.00 C ATOM 596 O ILE A 38 3.910 8.468 -20.414 1.00 25.00 O ATOM 597 CB ILE A 38 2.142 8.019 -23.237 1.00 25.00 C ATOM 598 CG1 ILE A 38 1.312 8.871 -24.218 1.00 25.00 C ATOM 599 CG2 ILE A 38 1.254 7.504 -22.060 1.00 25.00 C ATOM 600 CD1 ILE A 38 0.484 8.071 -25.211 1.00 25.00 C ATOM 0 H ILE A 38 4.001 8.769 -24.707 1.00 25.00 H new ATOM 0 HA ILE A 38 2.978 9.793 -22.313 1.00 25.00 H new ATOM 0 HB ILE A 38 2.524 7.144 -23.763 1.00 25.00 H new ATOM 0 HG12 ILE A 38 0.645 9.514 -23.644 1.00 25.00 H new ATOM 0 HG13 ILE A 38 1.987 9.524 -24.771 1.00 25.00 H new ATOM 0 HG21 ILE A 38 0.418 6.930 -22.459 1.00 25.00 H new ATOM 0 HG22 ILE A 38 1.850 6.869 -21.405 1.00 25.00 H new ATOM 0 HG23 ILE A 38 0.873 8.353 -21.493 1.00 25.00 H new ATOM 0 HD11 ILE A 38 -0.066 8.753 -25.859 1.00 25.00 H new ATOM 0 HD12 ILE A 38 1.143 7.448 -25.815 1.00 25.00 H new ATOM 0 HD13 ILE A 38 -0.220 7.438 -24.671 1.00 25.00 H new ATOM 612 N ARG A 39 4.975 7.191 -21.896 1.00 25.00 N ATOM 613 CA ARG A 39 5.752 6.497 -20.845 1.00 25.00 C ATOM 614 C ARG A 39 6.639 7.475 -20.065 1.00 25.00 C ATOM 615 O ARG A 39 6.724 7.401 -18.843 1.00 25.00 O ATOM 616 CB ARG A 39 6.616 5.393 -21.483 1.00 25.00 C ATOM 617 CG ARG A 39 7.327 4.451 -20.473 1.00 25.00 C ATOM 618 CD ARG A 39 8.774 4.899 -20.177 1.00 25.00 C ATOM 619 NE ARG A 39 9.637 4.780 -21.359 1.00 25.00 N ATOM 620 CZ ARG A 39 10.393 3.727 -21.662 1.00 25.00 C ATOM 621 NH1 ARG A 39 10.469 2.663 -20.885 1.00 25.00 N ATOM 622 NH2 ARG A 39 11.101 3.737 -22.773 1.00 25.00 N ATOM 0 H ARG A 39 5.181 6.894 -22.850 1.00 25.00 H new ATOM 0 HA ARG A 39 5.050 6.051 -20.141 1.00 25.00 H new ATOM 0 HB2 ARG A 39 5.985 4.791 -22.137 1.00 25.00 H new ATOM 0 HB3 ARG A 39 7.371 5.862 -22.113 1.00 25.00 H new ATOM 0 HG2 ARG A 39 6.759 4.424 -19.543 1.00 25.00 H new ATOM 0 HG3 ARG A 39 7.337 3.436 -20.870 1.00 25.00 H new ATOM 0 HD2 ARG A 39 8.771 5.933 -19.833 1.00 25.00 H new ATOM 0 HD3 ARG A 39 9.183 4.295 -19.367 1.00 25.00 H new ATOM 0 HE ARG A 39 9.659 5.571 -22.002 1.00 25.00 H new ATOM 0 HH11 ARG A 39 9.936 2.627 -20.016 1.00 25.00 H new ATOM 0 HH12 ARG A 39 11.060 1.877 -21.154 1.00 25.00 H new ATOM 0 HH21 ARG A 39 11.067 4.547 -23.392 1.00 25.00 H new ATOM 0 HH22 ARG A 39 11.683 2.935 -23.014 1.00 25.00 H new ATOM 636 N GLN A 40 7.276 8.407 -20.770 1.00 25.00 N ATOM 637 CA GLN A 40 8.109 9.417 -20.125 1.00 25.00 C ATOM 638 C GLN A 40 7.278 10.296 -19.190 1.00 25.00 C ATOM 639 O GLN A 40 7.690 10.614 -18.067 1.00 25.00 O ATOM 640 CB GLN A 40 8.809 10.273 -21.192 1.00 25.00 C ATOM 641 CG GLN A 40 9.813 11.284 -20.642 1.00 25.00 C ATOM 642 CD GLN A 40 10.333 12.210 -21.733 1.00 25.00 C ATOM 643 OE1 GLN A 40 10.274 11.893 -22.931 1.00 25.00 O ATOM 644 NE2 GLN A 40 10.816 13.367 -21.339 1.00 25.00 N ATOM 0 H GLN A 40 7.231 8.483 -21.786 1.00 25.00 H new ATOM 0 HA GLN A 40 8.865 8.912 -19.523 1.00 25.00 H new ATOM 0 HB2 GLN A 40 9.325 9.611 -21.888 1.00 25.00 H new ATOM 0 HB3 GLN A 40 8.051 10.808 -21.763 1.00 25.00 H new ATOM 0 HG2 GLN A 40 9.342 11.875 -19.857 1.00 25.00 H new ATOM 0 HG3 GLN A 40 10.649 10.755 -20.184 1.00 25.00 H new ATOM 0 HE21 GLN A 40 10.849 13.594 -20.345 1.00 25.00 H new ATOM 0 HE22 GLN A 40 11.158 14.038 -22.027 1.00 25.00 H new ATOM 653 N LEU A 41 6.107 10.689 -19.664 1.00 25.00 N ATOM 654 CA LEU A 41 5.239 11.573 -18.898 1.00 25.00 C ATOM 655 C LEU A 41 4.718 10.852 -17.649 1.00 25.00 C ATOM 656 O LEU A 41 4.618 11.455 -16.565 1.00 25.00 O ATOM 657 CB LEU A 41 4.031 12.024 -19.749 1.00 25.00 C ATOM 658 CG LEU A 41 4.293 12.799 -21.057 1.00 25.00 C ATOM 659 CD1 LEU A 41 2.988 13.112 -21.734 1.00 25.00 C ATOM 660 CD2 LEU A 41 5.069 14.059 -20.831 1.00 25.00 C ATOM 0 H LEU A 41 5.735 10.412 -20.572 1.00 25.00 H new ATOM 0 HA LEU A 41 5.823 12.446 -18.607 1.00 25.00 H new ATOM 0 HB2 LEU A 41 3.455 11.134 -20.002 1.00 25.00 H new ATOM 0 HB3 LEU A 41 3.396 12.646 -19.118 1.00 25.00 H new ATOM 0 HG LEU A 41 4.900 12.159 -21.698 1.00 25.00 H new ATOM 0 HD11 LEU A 41 3.179 13.659 -22.657 1.00 25.00 H new ATOM 0 HD12 LEU A 41 2.466 12.183 -21.964 1.00 25.00 H new ATOM 0 HD13 LEU A 41 2.372 13.721 -21.072 1.00 25.00 H new ATOM 0 HD21 LEU A 41 5.226 14.566 -21.783 1.00 25.00 H new ATOM 0 HD22 LEU A 41 4.513 14.713 -20.159 1.00 25.00 H new ATOM 0 HD23 LEU A 41 6.034 13.817 -20.386 1.00 25.00 H new ATOM 672 N GLN A 42 4.397 9.576 -17.781 1.00 25.00 N ATOM 673 CA GLN A 42 3.884 8.797 -16.653 1.00 25.00 C ATOM 674 C GLN A 42 4.978 8.552 -15.606 1.00 25.00 C ATOM 675 O GLN A 42 4.696 8.573 -14.402 1.00 25.00 O ATOM 676 CB GLN A 42 3.329 7.460 -17.154 1.00 25.00 C ATOM 677 CG GLN A 42 2.029 7.617 -17.918 1.00 25.00 C ATOM 678 CD GLN A 42 1.596 6.346 -18.591 1.00 25.00 C ATOM 679 OE1 GLN A 42 2.411 5.494 -18.958 1.00 25.00 O ATOM 680 NE2 GLN A 42 0.303 6.213 -18.772 1.00 25.00 N ATOM 0 H GLN A 42 4.480 9.053 -18.653 1.00 25.00 H new ATOM 0 HA GLN A 42 3.085 9.367 -16.180 1.00 25.00 H new ATOM 0 HB2 GLN A 42 4.068 6.982 -17.797 1.00 25.00 H new ATOM 0 HB3 GLN A 42 3.169 6.796 -16.304 1.00 25.00 H new ATOM 0 HG2 GLN A 42 1.247 7.945 -17.233 1.00 25.00 H new ATOM 0 HG3 GLN A 42 2.145 8.399 -18.668 1.00 25.00 H new ATOM 0 HE21 GLN A 42 -0.334 6.942 -18.453 1.00 25.00 H new ATOM 0 HE22 GLN A 42 -0.065 5.380 -19.232 1.00 25.00 H new ATOM 689 N GLU A 43 6.209 8.380 -16.042 1.00 25.00 N ATOM 690 CA GLU A 43 7.311 8.219 -15.099 1.00 25.00 C ATOM 691 C GLU A 43 7.541 9.507 -14.323 1.00 25.00 C ATOM 692 O GLU A 43 7.741 9.499 -13.103 1.00 25.00 O ATOM 693 CB GLU A 43 8.577 7.795 -15.840 1.00 25.00 C ATOM 694 CG GLU A 43 9.703 7.363 -14.924 1.00 25.00 C ATOM 695 CD GLU A 43 10.899 6.856 -15.697 1.00 25.00 C ATOM 696 OE1 GLU A 43 11.650 7.696 -16.224 1.00 25.00 O ATOM 697 OE2 GLU A 43 11.110 5.613 -15.751 1.00 25.00 O ATOM 0 H GLU A 43 6.475 8.347 -17.026 1.00 25.00 H new ATOM 0 HA GLU A 43 7.052 7.438 -14.384 1.00 25.00 H new ATOM 0 HB2 GLU A 43 8.335 6.974 -16.515 1.00 25.00 H new ATOM 0 HB3 GLU A 43 8.921 8.625 -16.458 1.00 25.00 H new ATOM 0 HG2 GLU A 43 10.005 8.204 -14.299 1.00 25.00 H new ATOM 0 HG3 GLU A 43 9.346 6.581 -14.255 1.00 25.00 H new ATOM 704 N GLN A 44 7.462 10.632 -15.006 1.00 25.00 N ATOM 705 CA GLN A 44 7.621 11.924 -14.367 1.00 25.00 C ATOM 706 C GLN A 44 6.459 12.204 -13.401 1.00 25.00 C ATOM 707 O GLN A 44 6.665 12.682 -12.277 1.00 25.00 O ATOM 708 CB GLN A 44 7.714 13.040 -15.406 1.00 25.00 C ATOM 709 CG GLN A 44 8.191 14.376 -14.829 1.00 25.00 C ATOM 710 CD GLN A 44 9.582 14.276 -14.248 1.00 25.00 C ATOM 711 OE1 GLN A 44 10.558 14.155 -14.972 1.00 25.00 O ATOM 712 NE2 GLN A 44 9.678 14.301 -12.947 1.00 25.00 N ATOM 0 H GLN A 44 7.288 10.677 -16.010 1.00 25.00 H new ATOM 0 HA GLN A 44 8.551 11.899 -13.798 1.00 25.00 H new ATOM 0 HB2 GLN A 44 8.396 12.732 -16.198 1.00 25.00 H new ATOM 0 HB3 GLN A 44 6.735 13.181 -15.865 1.00 25.00 H new ATOM 0 HG2 GLN A 44 8.179 15.134 -15.612 1.00 25.00 H new ATOM 0 HG3 GLN A 44 7.497 14.705 -14.055 1.00 25.00 H new ATOM 0 HE21 GLN A 44 8.839 14.404 -12.376 1.00 25.00 H new ATOM 0 HE22 GLN A 44 10.592 14.218 -12.501 1.00 25.00 H new ATOM 721 N HIS A 45 5.243 11.858 -13.810 1.00 25.00 N ATOM 722 CA HIS A 45 4.088 12.028 -12.949 1.00 25.00 C ATOM 723 C HIS A 45 4.186 11.150 -11.700 1.00 25.00 C ATOM 724 O HIS A 45 3.797 11.579 -10.618 1.00 25.00 O ATOM 725 CB HIS A 45 2.819 11.705 -13.715 1.00 25.00 C ATOM 726 CG HIS A 45 1.564 11.955 -12.929 1.00 25.00 C ATOM 727 ND1 HIS A 45 0.709 10.973 -12.485 1.00 25.00 N ATOM 728 CD2 HIS A 45 1.013 13.132 -12.491 1.00 25.00 C ATOM 729 CE1 HIS A 45 -0.269 11.561 -11.803 1.00 25.00 C ATOM 730 NE2 HIS A 45 -0.142 12.872 -11.783 1.00 25.00 N ATOM 0 H HIS A 45 5.037 11.461 -14.727 1.00 25.00 H new ATOM 0 HA HIS A 45 4.061 13.068 -12.624 1.00 25.00 H new ATOM 0 HB2 HIS A 45 2.792 12.302 -14.626 1.00 25.00 H new ATOM 0 HB3 HIS A 45 2.845 10.659 -14.020 1.00 25.00 H new ATOM 0 HD2 HIS A 45 1.422 14.115 -12.673 1.00 25.00 H new ATOM 0 HE1 HIS A 45 -1.074 11.026 -11.321 1.00 25.00 H new ATOM 0 HE2 HIS A 45 -0.763 13.549 -11.340 1.00 25.00 H new ATOM 738 N TYR A 46 4.768 9.969 -11.835 1.00 25.00 N ATOM 739 CA TYR A 46 4.938 9.094 -10.675 1.00 25.00 C ATOM 740 C TYR A 46 5.829 9.746 -9.621 1.00 25.00 C ATOM 741 O TYR A 46 5.586 9.608 -8.412 1.00 25.00 O ATOM 742 CB TYR A 46 5.569 7.758 -11.106 1.00 25.00 C ATOM 743 CG TYR A 46 5.630 6.755 -9.977 1.00 25.00 C ATOM 744 CD1 TYR A 46 4.479 6.071 -9.562 1.00 25.00 C ATOM 745 CD2 TYR A 46 6.834 6.520 -9.293 1.00 25.00 C ATOM 746 CE1 TYR A 46 4.523 5.168 -8.478 1.00 25.00 C ATOM 747 CE2 TYR A 46 6.882 5.596 -8.236 1.00 25.00 C ATOM 748 CZ TYR A 46 5.717 4.922 -7.832 1.00 25.00 C ATOM 749 OH TYR A 46 5.748 4.021 -6.805 1.00 25.00 O ATOM 0 H TYR A 46 5.125 9.595 -12.714 1.00 25.00 H new ATOM 0 HA TYR A 46 3.952 8.917 -10.245 1.00 25.00 H new ATOM 0 HB2 TYR A 46 4.993 7.337 -11.930 1.00 25.00 H new ATOM 0 HB3 TYR A 46 6.576 7.940 -11.481 1.00 25.00 H new ATOM 0 HD1 TYR A 46 3.545 6.237 -10.079 1.00 25.00 H new ATOM 0 HD2 TYR A 46 7.728 7.053 -9.581 1.00 25.00 H new ATOM 0 HE1 TYR A 46 3.621 4.669 -8.154 1.00 25.00 H new ATOM 0 HE2 TYR A 46 7.818 5.403 -7.732 1.00 25.00 H new ATOM 0 HH TYR A 46 5.064 3.335 -6.951 1.00 25.00 H new ATOM 759 N GLN A 47 6.851 10.460 -10.068 1.00 25.00 N ATOM 760 CA GLN A 47 7.756 11.153 -9.143 1.00 25.00 C ATOM 761 C GLN A 47 6.995 12.256 -8.396 1.00 25.00 C ATOM 762 O GLN A 47 7.137 12.403 -7.188 1.00 25.00 O ATOM 763 CB GLN A 47 8.936 11.759 -9.917 1.00 25.00 C ATOM 764 CG GLN A 47 9.830 10.703 -10.537 1.00 25.00 C ATOM 765 CD GLN A 47 10.935 11.307 -11.367 1.00 25.00 C ATOM 766 OE1 GLN A 47 11.734 12.088 -10.875 1.00 25.00 O ATOM 767 NE2 GLN A 47 10.981 10.962 -12.619 1.00 25.00 N ATOM 0 H GLN A 47 7.079 10.579 -11.055 1.00 25.00 H new ATOM 0 HA GLN A 47 8.141 10.435 -8.419 1.00 25.00 H new ATOM 0 HB2 GLN A 47 8.554 12.413 -10.701 1.00 25.00 H new ATOM 0 HB3 GLN A 47 9.527 12.380 -9.244 1.00 25.00 H new ATOM 0 HG2 GLN A 47 10.265 10.089 -9.748 1.00 25.00 H new ATOM 0 HG3 GLN A 47 9.229 10.042 -11.161 1.00 25.00 H new ATOM 0 HE21 GLN A 47 10.295 10.306 -12.993 1.00 25.00 H new ATOM 0 HE22 GLN A 47 11.703 11.347 -13.228 1.00 25.00 H new ATOM 776 N GLN A 48 6.159 13.001 -9.106 1.00 25.00 N ATOM 777 CA GLN A 48 5.361 14.049 -8.492 1.00 25.00 C ATOM 778 C GLN A 48 4.404 13.424 -7.471 1.00 25.00 C ATOM 779 O GLN A 48 4.245 13.938 -6.369 1.00 25.00 O ATOM 780 CB GLN A 48 4.565 14.815 -9.559 1.00 25.00 C ATOM 781 CG GLN A 48 3.862 16.057 -9.023 1.00 25.00 C ATOM 782 CD GLN A 48 3.040 16.735 -10.108 1.00 25.00 C ATOM 783 OE1 GLN A 48 2.206 16.113 -10.749 1.00 25.00 O ATOM 784 NE2 GLN A 48 3.287 18.005 -10.330 1.00 25.00 N ATOM 0 H GLN A 48 6.017 12.897 -10.111 1.00 25.00 H new ATOM 0 HA GLN A 48 6.024 14.753 -7.988 1.00 25.00 H new ATOM 0 HB2 GLN A 48 5.240 15.109 -10.363 1.00 25.00 H new ATOM 0 HB3 GLN A 48 3.822 14.147 -9.995 1.00 25.00 H new ATOM 0 HG2 GLN A 48 3.214 15.781 -8.191 1.00 25.00 H new ATOM 0 HG3 GLN A 48 4.601 16.756 -8.633 1.00 25.00 H new ATOM 0 HE21 GLN A 48 3.991 18.492 -9.775 1.00 25.00 H new ATOM 0 HE22 GLN A 48 2.775 18.504 -11.057 1.00 25.00 H new ATOM 793 N TYR A 49 3.783 12.321 -7.843 1.00 25.00 N ATOM 794 CA TYR A 49 2.846 11.618 -6.957 1.00 25.00 C ATOM 795 C TYR A 49 3.546 11.163 -5.675 1.00 25.00 C ATOM 796 O TYR A 49 3.015 11.336 -4.577 1.00 25.00 O ATOM 797 CB TYR A 49 2.222 10.411 -7.667 1.00 25.00 C ATOM 798 CG TYR A 49 1.051 9.842 -6.918 1.00 25.00 C ATOM 799 CD1 TYR A 49 -0.157 10.576 -6.802 1.00 25.00 C ATOM 800 CD2 TYR A 49 1.122 8.557 -6.344 1.00 25.00 C ATOM 801 CE1 TYR A 49 -1.274 10.023 -6.123 1.00 25.00 C ATOM 802 CE2 TYR A 49 0.017 8.010 -5.650 1.00 25.00 C ATOM 803 CZ TYR A 49 -1.171 8.742 -5.532 1.00 25.00 C ATOM 804 OH TYR A 49 -2.244 8.224 -4.845 1.00 25.00 O ATOM 0 H TYR A 49 3.905 11.883 -8.756 1.00 25.00 H new ATOM 0 HA TYR A 49 2.052 12.317 -6.694 1.00 25.00 H new ATOM 0 HB2 TYR A 49 1.901 10.708 -8.665 1.00 25.00 H new ATOM 0 HB3 TYR A 49 2.979 9.637 -7.793 1.00 25.00 H new ATOM 0 HD1 TYR A 49 -0.227 11.563 -7.234 1.00 25.00 H new ATOM 0 HD2 TYR A 49 2.032 7.982 -6.435 1.00 25.00 H new ATOM 0 HE1 TYR A 49 -2.198 10.578 -6.058 1.00 25.00 H new ATOM 0 HE2 TYR A 49 0.090 7.026 -5.210 1.00 25.00 H new ATOM 0 HH TYR A 49 -2.014 7.336 -4.500 1.00 25.00 H new ATOM 814 N MET A 50 4.763 10.654 -5.798 1.00 25.00 N ATOM 815 CA MET A 50 5.514 10.225 -4.625 1.00 25.00 C ATOM 816 C MET A 50 5.867 11.405 -3.727 1.00 25.00 C ATOM 817 O MET A 50 5.784 11.308 -2.503 1.00 25.00 O ATOM 818 CB MET A 50 6.800 9.505 -5.056 1.00 25.00 C ATOM 819 CG MET A 50 7.263 8.471 -4.054 1.00 25.00 C ATOM 820 SD MET A 50 6.957 6.777 -4.672 1.00 25.00 S ATOM 821 CE MET A 50 5.104 6.738 -4.701 1.00 25.00 C ATOM 0 H MET A 50 5.248 10.528 -6.686 1.00 25.00 H new ATOM 0 HA MET A 50 4.882 9.541 -4.059 1.00 25.00 H new ATOM 0 HB2 MET A 50 6.634 9.021 -6.018 1.00 25.00 H new ATOM 0 HB3 MET A 50 7.591 10.241 -5.202 1.00 25.00 H new ATOM 0 HG2 MET A 50 8.327 8.603 -3.855 1.00 25.00 H new ATOM 0 HG3 MET A 50 6.741 8.617 -3.108 1.00 25.00 H new ATOM 0 HE1 MET A 50 4.766 5.785 -5.107 1.00 25.00 H new ATOM 0 HE2 MET A 50 4.722 6.856 -3.687 1.00 25.00 H new ATOM 0 HE3 MET A 50 4.733 7.550 -5.326 1.00 25.00 H new ATOM 831 N GLN A 51 6.228 12.524 -4.345 1.00 25.00 N ATOM 832 CA GLN A 51 6.535 13.737 -3.598 1.00 25.00 C ATOM 833 C GLN A 51 5.298 14.224 -2.854 1.00 25.00 C ATOM 834 O GLN A 51 5.370 14.603 -1.687 1.00 25.00 O ATOM 835 CB GLN A 51 7.032 14.824 -4.547 1.00 25.00 C ATOM 836 CG GLN A 51 7.430 16.122 -3.833 1.00 25.00 C ATOM 837 CD GLN A 51 7.885 17.189 -4.806 1.00 25.00 C ATOM 838 OE1 GLN A 51 9.022 17.218 -5.232 1.00 25.00 O ATOM 839 NE2 GLN A 51 6.988 18.074 -5.149 1.00 25.00 N ATOM 0 H GLN A 51 6.315 12.616 -5.357 1.00 25.00 H new ATOM 0 HA GLN A 51 7.317 13.513 -2.873 1.00 25.00 H new ATOM 0 HB2 GLN A 51 7.890 14.446 -5.103 1.00 25.00 H new ATOM 0 HB3 GLN A 51 6.252 15.044 -5.276 1.00 25.00 H new ATOM 0 HG2 GLN A 51 6.582 16.494 -3.258 1.00 25.00 H new ATOM 0 HG3 GLN A 51 8.230 15.914 -3.123 1.00 25.00 H new ATOM 0 HE21 GLN A 51 6.043 18.016 -4.770 1.00 25.00 H new ATOM 0 HE22 GLN A 51 7.232 18.823 -5.796 1.00 25.00 H new ATOM 848 N GLN A 52 4.142 14.208 -3.513 1.00 25.00 N ATOM 849 CA GLN A 52 2.906 14.660 -2.881 1.00 25.00 C ATOM 850 C GLN A 52 2.571 13.771 -1.692 1.00 25.00 C ATOM 851 O GLN A 52 2.254 14.264 -0.602 1.00 25.00 O ATOM 852 CB GLN A 52 1.762 14.687 -3.897 1.00 25.00 C ATOM 853 CG GLN A 52 0.563 15.514 -3.449 1.00 25.00 C ATOM 854 CD GLN A 52 0.929 16.977 -3.251 1.00 25.00 C ATOM 855 OE1 GLN A 52 1.440 17.620 -4.143 1.00 25.00 O ATOM 856 NE2 GLN A 52 0.722 17.477 -2.070 1.00 25.00 N ATOM 0 H GLN A 52 4.035 13.890 -4.476 1.00 25.00 H new ATOM 0 HA GLN A 52 3.047 15.677 -2.515 1.00 25.00 H new ATOM 0 HB2 GLN A 52 2.135 15.086 -4.840 1.00 25.00 H new ATOM 0 HB3 GLN A 52 1.435 13.665 -4.090 1.00 25.00 H new ATOM 0 HG2 GLN A 52 -0.231 15.435 -4.192 1.00 25.00 H new ATOM 0 HG3 GLN A 52 0.169 15.108 -2.517 1.00 25.00 H new ATOM 0 HE21 GLN A 52 0.290 16.907 -1.343 1.00 25.00 H new ATOM 0 HE22 GLN A 52 0.992 18.440 -1.869 1.00 25.00 H new ATOM 865 N LEU A 53 2.707 12.461 -1.871 1.00 25.00 N ATOM 866 CA LEU A 53 2.450 11.503 -0.785 1.00 25.00 C ATOM 867 C LEU A 53 3.384 11.747 0.401 1.00 25.00 C ATOM 868 O LEU A 53 2.994 11.571 1.534 1.00 25.00 O ATOM 869 CB LEU A 53 2.639 10.063 -1.281 1.00 25.00 C ATOM 870 CG LEU A 53 1.536 9.459 -2.154 1.00 25.00 C ATOM 871 CD1 LEU A 53 2.011 8.121 -2.702 1.00 25.00 C ATOM 872 CD2 LEU A 53 0.237 9.244 -1.354 1.00 25.00 C ATOM 0 H LEU A 53 2.992 12.033 -2.752 1.00 25.00 H new ATOM 0 HA LEU A 53 1.419 11.647 -0.461 1.00 25.00 H new ATOM 0 HB2 LEU A 53 3.572 10.022 -1.844 1.00 25.00 H new ATOM 0 HB3 LEU A 53 2.765 9.422 -0.409 1.00 25.00 H new ATOM 0 HG LEU A 53 1.325 10.154 -2.967 1.00 25.00 H new ATOM 0 HD11 LEU A 53 1.230 7.685 -3.325 1.00 25.00 H new ATOM 0 HD12 LEU A 53 2.910 8.271 -3.299 1.00 25.00 H new ATOM 0 HD13 LEU A 53 2.233 7.447 -1.875 1.00 25.00 H new ATOM 0 HD21 LEU A 53 -0.524 8.814 -2.005 1.00 25.00 H new ATOM 0 HD22 LEU A 53 0.430 8.565 -0.523 1.00 25.00 H new ATOM 0 HD23 LEU A 53 -0.115 10.200 -0.967 1.00 25.00 H new ATOM 884 N TYR A 54 4.606 12.184 0.137 1.00 25.00 N ATOM 885 CA TYR A 54 5.567 12.447 1.216 1.00 25.00 C ATOM 886 C TYR A 54 5.100 13.644 2.058 1.00 25.00 C ATOM 887 O TYR A 54 5.192 13.625 3.290 1.00 25.00 O ATOM 888 CB TYR A 54 6.955 12.701 0.631 1.00 25.00 C ATOM 889 CG TYR A 54 7.775 13.721 1.372 1.00 25.00 C ATOM 890 CD1 TYR A 54 8.497 13.378 2.532 1.00 25.00 C ATOM 891 CD2 TYR A 54 7.847 15.055 0.906 1.00 25.00 C ATOM 892 CE1 TYR A 54 9.291 14.334 3.215 1.00 25.00 C ATOM 893 CE2 TYR A 54 8.630 16.014 1.570 1.00 25.00 C ATOM 894 CZ TYR A 54 9.355 15.641 2.713 1.00 25.00 C ATOM 895 OH TYR A 54 10.129 16.585 3.335 1.00 25.00 O ATOM 0 H TYR A 54 4.960 12.365 -0.802 1.00 25.00 H new ATOM 0 HA TYR A 54 5.624 11.573 1.865 1.00 25.00 H new ATOM 0 HB2 TYR A 54 7.503 11.759 0.611 1.00 25.00 H new ATOM 0 HB3 TYR A 54 6.844 13.027 -0.403 1.00 25.00 H new ATOM 0 HD1 TYR A 54 8.445 12.367 2.909 1.00 25.00 H new ATOM 0 HD2 TYR A 54 7.291 15.341 0.025 1.00 25.00 H new ATOM 0 HE1 TYR A 54 9.837 14.060 4.106 1.00 25.00 H new ATOM 0 HE2 TYR A 54 8.674 17.029 1.204 1.00 25.00 H new ATOM 0 HH TYR A 54 10.058 17.436 2.853 1.00 25.00 H new ATOM 905 N GLN A 55 4.540 14.660 1.412 1.00 25.00 N ATOM 906 CA GLN A 55 4.039 15.826 2.149 1.00 25.00 C ATOM 907 C GLN A 55 2.771 15.483 2.910 1.00 25.00 C ATOM 908 O GLN A 55 2.533 15.982 4.006 1.00 25.00 O ATOM 909 CB GLN A 55 3.776 16.991 1.201 1.00 25.00 C ATOM 910 CG GLN A 55 5.018 17.414 0.459 1.00 25.00 C ATOM 911 CD GLN A 55 4.818 18.713 -0.316 1.00 25.00 C ATOM 912 OE1 GLN A 55 4.049 18.787 -1.260 1.00 25.00 O ATOM 913 NE2 GLN A 55 5.503 19.749 0.108 1.00 25.00 N ATOM 0 H GLN A 55 4.420 14.706 0.400 1.00 25.00 H new ATOM 0 HA GLN A 55 4.806 16.121 2.865 1.00 25.00 H new ATOM 0 HB2 GLN A 55 3.006 16.707 0.484 1.00 25.00 H new ATOM 0 HB3 GLN A 55 3.387 17.837 1.767 1.00 25.00 H new ATOM 0 HG2 GLN A 55 5.837 17.539 1.168 1.00 25.00 H new ATOM 0 HG3 GLN A 55 5.312 16.624 -0.232 1.00 25.00 H new ATOM 0 HE21 GLN A 55 6.137 19.651 0.901 1.00 25.00 H new ATOM 0 HE22 GLN A 55 5.401 20.652 -0.355 1.00 25.00 H new ATOM 922 N VAL A 56 1.976 14.587 2.341 1.00 25.00 N ATOM 923 CA VAL A 56 0.752 14.140 3.000 1.00 25.00 C ATOM 924 C VAL A 56 1.146 13.292 4.211 1.00 25.00 C ATOM 925 O VAL A 56 0.540 13.414 5.275 1.00 25.00 O ATOM 926 CB VAL A 56 -0.141 13.328 2.015 1.00 25.00 C ATOM 927 CG1 VAL A 56 -1.365 12.719 2.733 1.00 25.00 C ATOM 928 CG2 VAL A 56 -0.635 14.258 0.885 1.00 25.00 C ATOM 0 H VAL A 56 2.152 14.157 1.433 1.00 25.00 H new ATOM 0 HA VAL A 56 0.168 15.000 3.327 1.00 25.00 H new ATOM 0 HB VAL A 56 0.460 12.515 1.607 1.00 25.00 H new ATOM 0 HG11 VAL A 56 -1.966 12.159 2.016 1.00 25.00 H new ATOM 0 HG12 VAL A 56 -1.027 12.050 3.524 1.00 25.00 H new ATOM 0 HG13 VAL A 56 -1.967 13.518 3.166 1.00 25.00 H new ATOM 0 HG21 VAL A 56 -1.260 13.692 0.195 1.00 25.00 H new ATOM 0 HG22 VAL A 56 -1.216 15.075 1.314 1.00 25.00 H new ATOM 0 HG23 VAL A 56 0.222 14.665 0.348 1.00 25.00 H new ATOM 938 N GLN A 57 2.181 12.473 4.089 1.00 25.00 N ATOM 939 CA GLN A 57 2.674 11.684 5.219 1.00 25.00 C ATOM 940 C GLN A 57 3.067 12.611 6.358 1.00 25.00 C ATOM 941 O GLN A 57 2.678 12.410 7.491 1.00 25.00 O ATOM 942 CB GLN A 57 3.909 10.861 4.795 1.00 25.00 C ATOM 943 CG GLN A 57 3.583 9.516 4.121 1.00 25.00 C ATOM 944 CD GLN A 57 3.323 8.388 5.119 1.00 25.00 C ATOM 945 OE1 GLN A 57 4.210 7.972 5.856 1.00 25.00 O ATOM 946 NE2 GLN A 57 2.129 7.866 5.122 1.00 25.00 N ATOM 0 H GLN A 57 2.698 12.335 3.221 1.00 25.00 H new ATOM 0 HA GLN A 57 1.883 11.009 5.545 1.00 25.00 H new ATOM 0 HB2 GLN A 57 4.510 11.459 4.110 1.00 25.00 H new ATOM 0 HB3 GLN A 57 4.523 10.672 5.676 1.00 25.00 H new ATOM 0 HG2 GLN A 57 2.706 9.639 3.485 1.00 25.00 H new ATOM 0 HG3 GLN A 57 4.411 9.233 3.471 1.00 25.00 H new ATOM 0 HE21 GLN A 57 1.411 8.233 4.498 1.00 25.00 H new ATOM 0 HE22 GLN A 57 1.913 7.091 5.749 1.00 25.00 H new ATOM 955 N LEU A 58 3.835 13.645 6.045 1.00 25.00 N ATOM 956 CA LEU A 58 4.264 14.607 7.062 1.00 25.00 C ATOM 957 C LEU A 58 3.068 15.316 7.692 1.00 25.00 C ATOM 958 O LEU A 58 3.040 15.545 8.900 1.00 25.00 O ATOM 959 CB LEU A 58 5.171 15.654 6.431 1.00 25.00 C ATOM 960 CG LEU A 58 6.609 15.262 6.105 1.00 25.00 C ATOM 961 CD1 LEU A 58 7.272 16.429 5.421 1.00 25.00 C ATOM 962 CD2 LEU A 58 7.394 14.892 7.352 1.00 25.00 C ATOM 0 H LEU A 58 4.174 13.842 5.104 1.00 25.00 H new ATOM 0 HA LEU A 58 4.798 14.056 7.836 1.00 25.00 H new ATOM 0 HB2 LEU A 58 4.700 15.989 5.507 1.00 25.00 H new ATOM 0 HB3 LEU A 58 5.204 16.513 7.101 1.00 25.00 H new ATOM 0 HG LEU A 58 6.593 14.384 5.459 1.00 25.00 H new ATOM 0 HD11 LEU A 58 8.303 16.171 5.178 1.00 25.00 H new ATOM 0 HD12 LEU A 58 6.732 16.668 4.505 1.00 25.00 H new ATOM 0 HD13 LEU A 58 7.261 17.294 6.085 1.00 25.00 H new ATOM 0 HD21 LEU A 58 8.412 14.620 7.074 1.00 25.00 H new ATOM 0 HD22 LEU A 58 7.419 15.743 8.032 1.00 25.00 H new ATOM 0 HD23 LEU A 58 6.915 14.047 7.846 1.00 25.00 H new ATOM 974 N ALA A 59 2.070 15.640 6.884 1.00 25.00 N ATOM 975 CA ALA A 59 0.863 16.284 7.384 1.00 25.00 C ATOM 976 C ALA A 59 0.208 15.399 8.435 1.00 25.00 C ATOM 977 O ALA A 59 -0.219 15.875 9.487 1.00 25.00 O ATOM 978 CB ALA A 59 -0.103 16.551 6.247 1.00 25.00 C ATOM 0 H ALA A 59 2.071 15.468 5.879 1.00 25.00 H new ATOM 0 HA ALA A 59 1.132 17.238 7.838 1.00 25.00 H new ATOM 0 HB1 ALA A 59 -1.000 17.032 6.637 1.00 25.00 H new ATOM 0 HB2 ALA A 59 0.370 17.204 5.514 1.00 25.00 H new ATOM 0 HB3 ALA A 59 -0.375 15.609 5.772 1.00 25.00 H new ATOM 984 N GLN A 60 0.115 14.112 8.135 1.00 25.00 N ATOM 985 CA GLN A 60 -0.504 13.172 9.054 1.00 25.00 C ATOM 986 C GLN A 60 0.343 13.006 10.328 1.00 25.00 C ATOM 987 O GLN A 60 -0.206 12.881 11.421 1.00 25.00 O ATOM 988 CB GLN A 60 -0.680 11.806 8.387 1.00 25.00 C ATOM 989 CG GLN A 60 -1.701 11.797 7.271 1.00 25.00 C ATOM 990 CD GLN A 60 -1.978 10.400 6.772 1.00 25.00 C ATOM 991 OE1 GLN A 60 -1.073 9.668 6.388 1.00 25.00 O ATOM 992 NE2 GLN A 60 -3.233 10.020 6.766 1.00 25.00 N ATOM 0 H GLN A 60 0.458 13.698 7.268 1.00 25.00 H new ATOM 0 HA GLN A 60 -1.480 13.573 9.327 1.00 25.00 H new ATOM 0 HB2 GLN A 60 0.281 11.480 7.990 1.00 25.00 H new ATOM 0 HB3 GLN A 60 -0.976 11.079 9.143 1.00 25.00 H new ATOM 0 HG2 GLN A 60 -2.629 12.247 7.624 1.00 25.00 H new ATOM 0 HG3 GLN A 60 -1.342 12.413 6.446 1.00 25.00 H new ATOM 0 HE21 GLN A 60 -3.960 10.656 7.093 1.00 25.00 H new ATOM 0 HE22 GLN A 60 -3.482 9.088 6.434 1.00 25.00 H new ATOM 1001 N GLN A 61 1.672 13.026 10.185 1.00 25.00 N ATOM 1002 CA GLN A 61 2.571 12.882 11.327 1.00 25.00 C ATOM 1003 C GLN A 61 2.420 14.078 12.259 1.00 25.00 C ATOM 1004 O GLN A 61 2.282 13.909 13.459 1.00 25.00 O ATOM 1005 CB GLN A 61 4.030 12.758 10.871 1.00 25.00 C ATOM 1006 CG GLN A 61 4.337 11.543 9.977 1.00 25.00 C ATOM 1007 CD GLN A 61 5.414 10.649 10.561 1.00 25.00 C ATOM 1008 OE1 GLN A 61 6.494 11.091 10.890 1.00 25.00 O ATOM 1009 NE2 GLN A 61 5.117 9.375 10.674 1.00 25.00 N ATOM 0 H GLN A 61 2.146 13.141 9.289 1.00 25.00 H new ATOM 0 HA GLN A 61 2.302 11.969 11.859 1.00 25.00 H new ATOM 0 HB2 GLN A 61 4.303 13.664 10.331 1.00 25.00 H new ATOM 0 HB3 GLN A 61 4.667 12.709 11.754 1.00 25.00 H new ATOM 0 HG2 GLN A 61 3.426 10.962 9.833 1.00 25.00 H new ATOM 0 HG3 GLN A 61 4.652 11.890 8.993 1.00 25.00 H new ATOM 0 HE21 GLN A 61 4.198 9.038 10.387 1.00 25.00 H new ATOM 0 HE22 GLN A 61 5.805 8.722 11.049 1.00 25.00 H new ATOM 1018 N GLN A 62 2.401 15.296 11.737 1.00 25.00 N ATOM 1019 CA GLN A 62 2.240 16.461 12.603 1.00 25.00 C ATOM 1020 C GLN A 62 0.850 16.536 13.198 1.00 25.00 C ATOM 1021 O GLN A 62 0.675 17.126 14.254 1.00 25.00 O ATOM 1022 CB GLN A 62 2.629 17.780 11.897 1.00 25.00 C ATOM 1023 CG GLN A 62 1.652 18.241 10.804 1.00 25.00 C ATOM 1024 CD GLN A 62 1.792 19.717 10.499 1.00 25.00 C ATOM 1025 OE1 GLN A 62 2.813 20.331 10.791 1.00 25.00 O ATOM 1026 NE2 GLN A 62 0.774 20.296 9.943 1.00 25.00 N ATOM 0 H GLN A 62 2.492 15.504 10.743 1.00 25.00 H new ATOM 0 HA GLN A 62 2.939 16.329 13.429 1.00 25.00 H new ATOM 0 HB2 GLN A 62 2.710 18.567 12.647 1.00 25.00 H new ATOM 0 HB3 GLN A 62 3.617 17.660 11.453 1.00 25.00 H new ATOM 0 HG2 GLN A 62 1.828 17.665 9.895 1.00 25.00 H new ATOM 0 HG3 GLN A 62 0.630 18.032 11.121 1.00 25.00 H new ATOM 0 HE21 GLN A 62 -0.059 19.754 9.714 1.00 25.00 H new ATOM 0 HE22 GLN A 62 0.806 21.294 9.735 1.00 25.00 H new ATOM 1035 N ALA A 63 -0.136 15.946 12.534 1.00 25.00 N ATOM 1036 CA ALA A 63 -1.496 15.920 13.052 1.00 25.00 C ATOM 1037 C ALA A 63 -1.569 14.958 14.231 1.00 25.00 C ATOM 1038 O ALA A 63 -2.269 15.213 15.188 1.00 25.00 O ATOM 1039 CB ALA A 63 -2.474 15.467 11.962 1.00 25.00 C ATOM 0 H ALA A 63 -0.018 15.479 11.635 1.00 25.00 H new ATOM 0 HA ALA A 63 -1.770 16.924 13.376 1.00 25.00 H new ATOM 0 HB1 ALA A 63 -3.487 15.453 12.365 1.00 25.00 H new ATOM 0 HB2 ALA A 63 -2.428 16.159 11.121 1.00 25.00 H new ATOM 0 HB3 ALA A 63 -2.204 14.467 11.624 1.00 25.00 H new ATOM 1045 N ALA A 64 -0.796 13.876 14.176 1.00 25.00 N ATOM 1046 CA ALA A 64 -0.767 12.927 15.263 1.00 25.00 C ATOM 1047 C ALA A 64 -0.071 13.539 16.478 1.00 25.00 C ATOM 1048 O ALA A 64 -0.498 13.351 17.607 1.00 25.00 O ATOM 1049 CB ALA A 64 -0.047 11.635 14.812 1.00 25.00 C ATOM 0 H ALA A 64 -0.188 13.644 13.391 1.00 25.00 H new ATOM 0 HA ALA A 64 -1.789 12.675 15.546 1.00 25.00 H new ATOM 0 HB1 ALA A 64 -0.028 10.922 15.636 1.00 25.00 H new ATOM 0 HB2 ALA A 64 -0.579 11.198 13.967 1.00 25.00 H new ATOM 0 HB3 ALA A 64 0.974 11.873 14.514 1.00 25.00 H new ATOM 1055 N LEU A 65 1.011 14.254 16.227 1.00 25.00 N ATOM 1056 CA LEU A 65 1.772 14.889 17.298 1.00 25.00 C ATOM 1057 C LEU A 65 1.006 16.050 17.904 1.00 25.00 C ATOM 1058 O LEU A 65 1.003 16.227 19.117 1.00 25.00 O ATOM 1059 CB LEU A 65 3.101 15.437 16.775 1.00 25.00 C ATOM 1060 CG LEU A 65 4.125 14.387 16.314 1.00 25.00 C ATOM 1061 CD1 LEU A 65 5.261 15.088 15.581 1.00 25.00 C ATOM 1062 CD2 LEU A 65 4.679 13.596 17.512 1.00 25.00 C ATOM 0 H LEU A 65 1.386 14.412 15.292 1.00 25.00 H new ATOM 0 HA LEU A 65 1.948 14.122 18.052 1.00 25.00 H new ATOM 0 HB2 LEU A 65 2.893 16.105 15.939 1.00 25.00 H new ATOM 0 HB3 LEU A 65 3.557 16.041 17.560 1.00 25.00 H new ATOM 0 HG LEU A 65 3.632 13.682 15.645 1.00 25.00 H new ATOM 0 HD11 LEU A 65 5.992 14.349 15.251 1.00 25.00 H new ATOM 0 HD12 LEU A 65 4.863 15.617 14.715 1.00 25.00 H new ATOM 0 HD13 LEU A 65 5.742 15.800 16.252 1.00 25.00 H new ATOM 0 HD21 LEU A 65 5.401 12.860 17.159 1.00 25.00 H new ATOM 0 HD22 LEU A 65 5.168 14.281 18.205 1.00 25.00 H new ATOM 0 HD23 LEU A 65 3.861 13.087 18.021 1.00 25.00 H new ATOM 1074 N GLN A 66 0.396 16.843 17.029 1.00 25.00 N ATOM 1075 CA GLN A 66 -0.341 18.074 17.367 1.00 25.00 C ATOM 1076 C GLN A 66 0.346 18.948 18.440 1.00 25.00 C ATOM 1077 O GLN A 66 -0.300 19.593 19.265 1.00 25.00 O ATOM 1078 CB GLN A 66 -1.824 17.782 17.657 1.00 25.00 C ATOM 1079 CG GLN A 66 -2.139 16.674 18.659 1.00 25.00 C ATOM 1080 CD GLN A 66 -3.617 16.300 18.645 1.00 25.00 C ATOM 1081 OE1 GLN A 66 -4.405 16.712 19.485 1.00 25.00 O ATOM 1082 NE2 GLN A 66 -3.995 15.524 17.651 1.00 25.00 N ATOM 0 H GLN A 66 0.396 16.647 16.028 1.00 25.00 H new ATOM 0 HA GLN A 66 -0.315 18.700 16.475 1.00 25.00 H new ATOM 0 HB2 GLN A 66 -2.284 18.702 18.017 1.00 25.00 H new ATOM 0 HB3 GLN A 66 -2.309 17.531 16.714 1.00 25.00 H new ATOM 0 HG2 GLN A 66 -1.539 15.794 18.428 1.00 25.00 H new ATOM 0 HG3 GLN A 66 -1.856 16.998 19.660 1.00 25.00 H new ATOM 0 HE21 GLN A 66 -3.310 15.199 16.969 1.00 25.00 H new ATOM 0 HE22 GLN A 66 -4.973 15.248 17.563 1.00 25.00 H new ATOM 1091 N LYS A 67 1.667 18.982 18.397 1.00 25.00 N ATOM 1092 CA LYS A 67 2.487 19.717 19.379 1.00 25.00 C ATOM 1093 C LYS A 67 3.431 20.718 18.713 1.00 25.00 C ATOM 1094 O LYS A 67 4.533 20.957 19.215 1.00 25.00 O ATOM 1095 CB LYS A 67 3.278 18.682 20.202 1.00 25.00 C ATOM 1096 CG LYS A 67 3.093 18.829 21.699 1.00 25.00 C ATOM 1097 CD LYS A 67 3.849 20.049 22.242 1.00 25.00 C ATOM 1098 CE LYS A 67 3.785 20.093 23.757 1.00 25.00 C ATOM 1099 NZ LYS A 67 4.636 21.222 24.280 1.00 25.00 N ATOM 0 H LYS A 67 2.215 18.503 17.682 1.00 25.00 H new ATOM 0 HA LYS A 67 1.833 20.303 20.024 1.00 25.00 H new ATOM 0 HB2 LYS A 67 2.970 17.680 19.903 1.00 25.00 H new ATOM 0 HB3 LYS A 67 4.338 18.774 19.964 1.00 25.00 H new ATOM 0 HG2 LYS A 67 2.032 18.926 21.928 1.00 25.00 H new ATOM 0 HG3 LYS A 67 3.446 17.928 22.201 1.00 25.00 H new ATOM 0 HD2 LYS A 67 4.889 20.011 21.919 1.00 25.00 H new ATOM 0 HD3 LYS A 67 3.420 20.962 21.829 1.00 25.00 H new ATOM 0 HE2 LYS A 67 2.753 20.225 24.081 1.00 25.00 H new ATOM 0 HE3 LYS A 67 4.130 19.146 24.171 1.00 25.00 H new ATOM 0 HZ1 LYS A 67 4.585 21.243 25.319 1.00 25.00 H new ATOM 0 HZ2 LYS A 67 5.623 21.078 23.985 1.00 25.00 H new ATOM 0 HZ3 LYS A 67 4.288 22.125 23.898 1.00 25.00 H new ATOM 1113 N GLN A 68 2.991 21.294 17.591 1.00 25.00 N ATOM 1114 CA GLN A 68 3.776 22.231 16.768 1.00 25.00 C ATOM 1115 C GLN A 68 5.076 21.571 16.279 1.00 25.00 C ATOM 1116 O GLN A 68 6.176 22.086 16.426 1.00 25.00 O ATOM 1117 CB GLN A 68 4.083 23.520 17.539 1.00 25.00 C ATOM 1118 CG GLN A 68 2.851 24.277 18.038 1.00 25.00 C ATOM 1119 CD GLN A 68 3.213 25.439 18.923 1.00 25.00 C ATOM 1120 OE1 GLN A 68 4.304 25.971 18.858 1.00 25.00 O ATOM 1121 NE2 GLN A 68 2.283 25.855 19.745 1.00 25.00 N ATOM 0 H GLN A 68 2.058 21.121 17.217 1.00 25.00 H new ATOM 0 HA GLN A 68 3.175 22.494 15.897 1.00 25.00 H new ATOM 0 HB2 GLN A 68 4.712 23.274 18.394 1.00 25.00 H new ATOM 0 HB3 GLN A 68 4.663 24.182 16.896 1.00 25.00 H new ATOM 0 HG2 GLN A 68 2.279 24.639 17.184 1.00 25.00 H new ATOM 0 HG3 GLN A 68 2.205 23.592 18.587 1.00 25.00 H new ATOM 0 HE21 GLN A 68 1.379 25.384 19.772 1.00 25.00 H new ATOM 0 HE22 GLN A 68 2.463 26.650 20.358 1.00 25.00 H new ATOM 1130 N GLN A 69 4.883 20.390 15.673 1.00 25.00 N ATOM 1131 CA GLN A 69 5.960 19.538 15.155 1.00 25.00 C ATOM 1132 C GLN A 69 6.904 19.096 16.294 1.00 25.00 C ATOM 1133 O GLN A 69 6.564 18.323 17.162 1.00 25.00 O ATOM 1134 CB GLN A 69 6.661 20.172 13.916 1.00 25.00 C ATOM 1135 CG GLN A 69 5.686 20.321 12.731 1.00 25.00 C ATOM 1136 CD GLN A 69 6.368 20.969 11.548 1.00 25.00 C ATOM 1137 OE1 GLN A 69 7.557 21.041 11.389 1.00 25.00 O ATOM 1138 NE2 GLN A 69 5.540 21.528 10.687 1.00 25.00 N ATOM 1139 OXT GLN A 69 8.111 19.595 16.291 1.00 25.00 O ATOM 0 H GLN A 69 3.954 19.994 15.527 1.00 25.00 H new ATOM 0 HA GLN A 69 5.529 18.615 14.766 1.00 25.00 H new ATOM 0 HB2 GLN A 69 7.062 21.150 14.184 1.00 25.00 H new ATOM 0 HB3 GLN A 69 7.506 19.552 13.618 1.00 25.00 H new ATOM 0 HG2 GLN A 69 5.304 19.341 12.444 1.00 25.00 H new ATOM 0 HG3 GLN A 69 4.828 20.921 13.034 1.00 25.00 H new ATOM 0 HE21 GLN A 69 4.532 21.461 10.831 1.00 25.00 H new ATOM 0 HE22 GLN A 69 5.907 22.027 9.877 1.00 25.00 H new TER 1149 GLN A 69