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 46 TYR OH : rot 58:sc= 0.0377 USER MOD Set 1.2: A 50 MET CE :methyl 178:sc= -0.0295 (180deg=-0.0422) USER MOD Set 2.1: A 2 GLN : amide:sc= 0.759 K(o=1.6,f=-2) USER MOD Set 2.2: A 4 LYS NZ :NH3+ 147:sc= 0.825 (180deg=-0.274) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.754 (180deg=-0.501) USER MOD Single : A 3 GLN : amide:sc=-0.00621 X(o=-0.0062,f=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.081 K(o=-0.081,f=-1.9) USER MOD Single : A 13 SER OG : rot 66:sc= 1.05 USER MOD Single : A 14 GLN : amide:sc= -0.0142 X(o=-0.014,f=-0.038) USER MOD Single : A 15 THR OG1 : rot 142:sc= 0.675 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 21 GLN : amide:sc= 0.381 X(o=0.38,f=0) 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= -0.052 X(o=-0.052,f=-0.048) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.49) USER MOD Single : A 34 GLN : amide:sc= 0.757 K(o=0.76,f=-0.28) USER MOD Single : A 35 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.12) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.0159 K(o=-0.016,f=-1) USER MOD Single : A 44 GLN : amide:sc=-0.00234 X(o=-0.0023,f=-0.27) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 47 GLN : amide:sc= -0.0208 X(o=-0.021,f=-0.48) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0146 X(o=-0.015,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 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc=-0.00876 X(o=-0.0088,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.496 K(o=-0.5,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.611 -7.114 -0.534 1.00 25.00 N ATOM 2 CA MET A 1 6.263 -6.711 -0.029 1.00 25.00 C ATOM 3 C MET A 1 5.869 -5.303 -0.507 1.00 25.00 C ATOM 4 O MET A 1 5.165 -4.529 0.116 1.00 25.00 O ATOM 5 CB MET A 1 6.204 -6.806 1.516 1.00 25.00 C ATOM 6 CG MET A 1 6.540 -8.232 2.032 1.00 25.00 C ATOM 7 SD MET A 1 8.333 -8.481 2.298 1.00 25.00 S ATOM 8 CE MET A 1 8.534 -7.818 3.975 1.00 25.00 C ATOM 0 H1 MET A 1 8.106 -7.662 0.198 1.00 25.00 H new ATOM 0 H2 MET A 1 7.502 -7.697 -1.388 1.00 25.00 H new ATOM 0 H3 MET A 1 8.164 -6.264 -0.764 1.00 25.00 H new ATOM 0 HA MET A 1 5.537 -7.409 -0.446 1.00 25.00 H new ATOM 0 HB2 MET A 1 6.904 -6.091 1.949 1.00 25.00 H new ATOM 0 HB3 MET A 1 5.208 -6.524 1.857 1.00 25.00 H new ATOM 0 HG2 MET A 1 6.010 -8.410 2.968 1.00 25.00 H new ATOM 0 HG3 MET A 1 6.177 -8.968 1.315 1.00 25.00 H new ATOM 0 HE1 MET A 1 9.578 -7.901 4.277 1.00 25.00 H new ATOM 0 HE2 MET A 1 8.235 -6.770 3.990 1.00 25.00 H new ATOM 0 HE3 MET A 1 7.910 -8.384 4.667 1.00 25.00 H new ATOM 19 N GLN A 2 6.366 -4.998 -1.712 1.00 25.00 N ATOM 20 CA GLN A 2 6.087 -3.731 -2.402 1.00 25.00 C ATOM 21 C GLN A 2 5.003 -3.887 -3.464 1.00 25.00 C ATOM 22 O GLN A 2 4.948 -4.877 -4.168 1.00 25.00 O ATOM 23 CB GLN A 2 7.350 -3.217 -3.102 1.00 25.00 C ATOM 24 CG GLN A 2 8.528 -2.927 -2.180 1.00 25.00 C ATOM 25 CD GLN A 2 9.626 -2.150 -2.916 1.00 25.00 C ATOM 26 OE1 GLN A 2 9.496 -0.966 -3.184 1.00 25.00 O ATOM 27 NE2 GLN A 2 10.668 -2.832 -3.268 1.00 25.00 N ATOM 0 H GLN A 2 6.975 -5.625 -2.238 1.00 25.00 H new ATOM 0 HA GLN A 2 5.749 -3.029 -1.640 1.00 25.00 H new ATOM 0 HB2 GLN A 2 7.661 -3.954 -3.843 1.00 25.00 H new ATOM 0 HB3 GLN A 2 7.100 -2.305 -3.645 1.00 25.00 H new ATOM 0 HG2 GLN A 2 8.187 -2.353 -1.319 1.00 25.00 H new ATOM 0 HG3 GLN A 2 8.934 -3.864 -1.798 1.00 25.00 H new ATOM 0 HE21 GLN A 2 10.737 -3.820 -3.024 1.00 25.00 H new ATOM 0 HE22 GLN A 2 11.420 -2.382 -3.790 1.00 25.00 H new ATOM 36 N GLN A 3 4.203 -2.838 -3.648 1.00 25.00 N ATOM 37 CA GLN A 3 3.172 -2.824 -4.683 1.00 25.00 C ATOM 38 C GLN A 3 3.318 -1.551 -5.539 1.00 25.00 C ATOM 39 O GLN A 3 2.319 -0.954 -5.965 1.00 25.00 O ATOM 40 CB GLN A 3 1.775 -2.900 -4.032 1.00 25.00 C ATOM 41 CG GLN A 3 1.502 -1.877 -2.924 1.00 25.00 C ATOM 42 CD GLN A 3 0.149 -2.091 -2.300 1.00 25.00 C ATOM 43 OE1 GLN A 3 -0.890 -1.963 -2.949 1.00 25.00 O ATOM 44 NE2 GLN A 3 0.137 -2.425 -1.033 1.00 25.00 N ATOM 0 H GLN A 3 4.250 -1.984 -3.092 1.00 25.00 H new ATOM 0 HA GLN A 3 3.291 -3.691 -5.333 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.024 -2.773 -4.811 1.00 25.00 H new ATOM 0 HB3 GLN A 3 1.641 -3.900 -3.619 1.00 25.00 H new ATOM 0 HG2 GLN A 3 2.274 -1.953 -2.158 1.00 25.00 H new ATOM 0 HG3 GLN A 3 1.559 -0.869 -3.335 1.00 25.00 H new ATOM 0 HE21 GLN A 3 1.015 -2.523 -0.523 1.00 25.00 H new ATOM 0 HE22 GLN A 3 -0.750 -2.587 -0.557 1.00 25.00 H new ATOM 53 N LYS A 4 4.555 -1.152 -5.795 1.00 25.00 N ATOM 54 CA LYS A 4 4.851 0.090 -6.524 1.00 25.00 C ATOM 55 C LYS A 4 4.191 0.115 -7.916 1.00 25.00 C ATOM 56 O LYS A 4 3.643 1.135 -8.319 1.00 25.00 O ATOM 57 CB LYS A 4 6.358 0.254 -6.717 1.00 25.00 C ATOM 58 CG LYS A 4 7.172 0.472 -5.433 1.00 25.00 C ATOM 59 CD LYS A 4 6.996 1.870 -4.880 1.00 25.00 C ATOM 60 CE LYS A 4 7.823 2.041 -3.616 1.00 25.00 C ATOM 61 NZ LYS A 4 9.300 1.849 -3.849 1.00 25.00 N ATOM 0 H LYS A 4 5.384 -1.672 -5.508 1.00 25.00 H new ATOM 0 HA LYS A 4 4.449 0.904 -5.921 1.00 25.00 H new ATOM 0 HB2 LYS A 4 6.740 -0.633 -7.222 1.00 25.00 H new ATOM 0 HB3 LYS A 4 6.531 1.099 -7.383 1.00 25.00 H new ATOM 0 HG2 LYS A 4 6.866 -0.256 -4.682 1.00 25.00 H new ATOM 0 HG3 LYS A 4 8.228 0.294 -5.638 1.00 25.00 H new ATOM 0 HD2 LYS A 4 7.301 2.605 -5.625 1.00 25.00 H new ATOM 0 HD3 LYS A 4 5.944 2.054 -4.663 1.00 25.00 H new ATOM 0 HE2 LYS A 4 7.651 3.037 -3.208 1.00 25.00 H new ATOM 0 HE3 LYS A 4 7.483 1.327 -2.866 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 9.836 2.471 -3.210 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 9.555 0.858 -3.662 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 9.529 2.085 -4.835 1.00 25.00 H new ATOM 75 N GLN A 5 4.217 -0.992 -8.612 1.00 25.00 N ATOM 76 CA GLN A 5 3.676 -1.030 -9.968 1.00 25.00 C ATOM 77 C GLN A 5 2.144 -0.929 -10.018 1.00 25.00 C ATOM 78 O GLN A 5 1.593 -0.396 -10.984 1.00 25.00 O ATOM 79 CB GLN A 5 4.140 -2.292 -10.692 1.00 25.00 C ATOM 80 CG GLN A 5 5.662 -2.360 -10.903 1.00 25.00 C ATOM 81 CD GLN A 5 6.117 -3.665 -11.571 1.00 25.00 C ATOM 82 OE1 GLN A 5 5.322 -4.525 -11.873 1.00 25.00 O ATOM 83 NE2 GLN A 5 7.410 -3.815 -11.738 1.00 25.00 N ATOM 0 H GLN A 5 4.600 -1.876 -8.277 1.00 25.00 H new ATOM 0 HA GLN A 5 4.064 -0.147 -10.475 1.00 25.00 H new ATOM 0 HB2 GLN A 5 3.822 -3.165 -10.122 1.00 25.00 H new ATOM 0 HB3 GLN A 5 3.645 -2.347 -11.662 1.00 25.00 H new ATOM 0 HG2 GLN A 5 5.976 -1.516 -11.516 1.00 25.00 H new ATOM 0 HG3 GLN A 5 6.162 -2.258 -9.940 1.00 25.00 H new ATOM 0 HE21 GLN A 5 8.049 -3.066 -11.471 1.00 25.00 H new ATOM 0 HE22 GLN A 5 7.776 -4.680 -12.135 1.00 25.00 H new ATOM 92 N GLN A 6 1.477 -1.352 -8.968 1.00 25.00 N ATOM 93 CA GLN A 6 0.008 -1.256 -8.886 1.00 25.00 C ATOM 94 C GLN A 6 -0.381 0.213 -8.855 1.00 25.00 C ATOM 95 O GLN A 6 -1.381 0.607 -9.439 1.00 25.00 O ATOM 96 CB GLN A 6 -0.510 -1.908 -7.599 1.00 25.00 C ATOM 97 CG GLN A 6 -0.353 -3.420 -7.540 1.00 25.00 C ATOM 98 CD GLN A 6 -1.481 -4.122 -8.286 1.00 25.00 C ATOM 99 OE1 GLN A 6 -1.510 -4.172 -9.512 1.00 25.00 O ATOM 100 NE2 GLN A 6 -2.400 -4.689 -7.558 1.00 25.00 N ATOM 0 H GLN A 6 1.916 -1.770 -8.148 1.00 25.00 H new ATOM 0 HA GLN A 6 -0.423 -1.766 -9.748 1.00 25.00 H new ATOM 0 HB2 GLN A 6 0.014 -1.469 -6.750 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -1.566 -1.662 -7.483 1.00 25.00 H new ATOM 0 HG2 GLN A 6 0.606 -3.706 -7.973 1.00 25.00 H new ATOM 0 HG3 GLN A 6 -0.343 -3.747 -6.500 1.00 25.00 H new ATOM 0 HE21 GLN A 6 -2.352 -4.632 -6.541 1.00 25.00 H new ATOM 0 HE22 GLN A 6 -3.168 -5.190 -8.005 1.00 25.00 H new ATOM 109 N ILE A 7 0.437 1.009 -8.178 1.00 25.00 N ATOM 110 CA ILE A 7 0.151 2.431 -8.033 1.00 25.00 C ATOM 111 C ILE A 7 0.307 3.104 -9.392 1.00 25.00 C ATOM 112 O ILE A 7 -0.504 3.939 -9.793 1.00 25.00 O ATOM 113 CB ILE A 7 1.106 3.094 -7.012 1.00 25.00 C ATOM 114 CG1 ILE A 7 1.011 2.375 -5.641 1.00 25.00 C ATOM 115 CG2 ILE A 7 0.780 4.599 -6.831 1.00 25.00 C ATOM 116 CD1 ILE A 7 2.189 2.657 -4.717 1.00 25.00 C ATOM 0 H ILE A 7 1.296 0.698 -7.724 1.00 25.00 H new ATOM 0 HA ILE A 7 -0.868 2.548 -7.665 1.00 25.00 H new ATOM 0 HB ILE A 7 2.120 3.004 -7.401 1.00 25.00 H new ATOM 0 HG12 ILE A 7 0.090 2.680 -5.144 1.00 25.00 H new ATOM 0 HG13 ILE A 7 0.942 1.300 -5.809 1.00 25.00 H new ATOM 0 HG21 ILE A 7 1.468 5.036 -6.108 1.00 25.00 H new ATOM 0 HG22 ILE A 7 0.885 5.112 -7.787 1.00 25.00 H new ATOM 0 HG23 ILE A 7 -0.243 4.709 -6.471 1.00 25.00 H new ATOM 0 HD11 ILE A 7 2.052 2.120 -3.778 1.00 25.00 H new ATOM 0 HD12 ILE A 7 3.112 2.326 -5.193 1.00 25.00 H new ATOM 0 HD13 ILE A 7 2.247 3.727 -4.518 1.00 25.00 H new ATOM 128 N MET A 8 1.313 2.694 -10.132 1.00 25.00 N ATOM 129 CA MET A 8 1.537 3.251 -11.480 1.00 25.00 C ATOM 130 C MET A 8 0.345 2.949 -12.374 1.00 25.00 C ATOM 131 O MET A 8 -0.097 3.811 -13.109 1.00 25.00 O ATOM 132 CB MET A 8 2.806 2.685 -12.121 1.00 25.00 C ATOM 133 CG MET A 8 4.070 3.046 -11.383 1.00 25.00 C ATOM 134 SD MET A 8 5.554 2.517 -12.266 1.00 25.00 S ATOM 135 CE MET A 8 5.810 3.945 -13.387 1.00 25.00 C ATOM 0 H MET A 8 1.990 1.987 -9.843 1.00 25.00 H new ATOM 0 HA MET A 8 1.658 4.329 -11.374 1.00 25.00 H new ATOM 0 HB2 MET A 8 2.723 1.599 -12.173 1.00 25.00 H new ATOM 0 HB3 MET A 8 2.878 3.048 -13.146 1.00 25.00 H new ATOM 0 HG2 MET A 8 4.105 4.125 -11.233 1.00 25.00 H new ATOM 0 HG3 MET A 8 4.055 2.587 -10.395 1.00 25.00 H new ATOM 0 HE1 MET A 8 6.693 3.771 -14.002 1.00 25.00 H new ATOM 0 HE2 MET A 8 4.938 4.064 -14.030 1.00 25.00 H new ATOM 0 HE3 MET A 8 5.952 4.850 -12.797 1.00 25.00 H new ATOM 145 N ALA A 9 -0.179 1.732 -12.296 1.00 25.00 N ATOM 146 CA ALA A 9 -1.309 1.334 -13.137 1.00 25.00 C ATOM 147 C ALA A 9 -2.541 2.198 -12.876 1.00 25.00 C ATOM 148 O ALA A 9 -3.265 2.569 -13.807 1.00 25.00 O ATOM 149 CB ALA A 9 -1.634 -0.128 -12.922 1.00 25.00 C ATOM 0 H ALA A 9 0.156 1.005 -11.664 1.00 25.00 H new ATOM 0 HA ALA A 9 -1.017 1.485 -14.176 1.00 25.00 H new ATOM 0 HB1 ALA A 9 -2.476 -0.410 -13.554 1.00 25.00 H new ATOM 0 HB2 ALA A 9 -0.767 -0.735 -13.181 1.00 25.00 H new ATOM 0 HB3 ALA A 9 -1.893 -0.293 -11.876 1.00 25.00 H new ATOM 155 N ALA A 10 -2.785 2.514 -11.610 1.00 25.00 N ATOM 156 CA ALA A 10 -3.944 3.310 -11.211 1.00 25.00 C ATOM 157 C ALA A 10 -3.860 4.731 -11.775 1.00 25.00 C ATOM 158 O ALA A 10 -4.847 5.248 -12.298 1.00 25.00 O ATOM 159 CB ALA A 10 -4.028 3.350 -9.691 1.00 25.00 C ATOM 0 H ALA A 10 -2.189 2.228 -10.833 1.00 25.00 H new ATOM 0 HA ALA A 10 -4.843 2.845 -11.616 1.00 25.00 H new ATOM 0 HB1 ALA A 10 -4.892 3.943 -9.390 1.00 25.00 H new ATOM 0 HB2 ALA A 10 -4.132 2.336 -9.306 1.00 25.00 H new ATOM 0 HB3 ALA A 10 -3.121 3.800 -9.288 1.00 25.00 H new ATOM 165 N LEU A 11 -2.665 5.334 -11.696 1.00 25.00 N ATOM 166 CA LEU A 11 -2.411 6.673 -12.274 1.00 25.00 C ATOM 167 C LEU A 11 -2.593 6.635 -13.778 1.00 25.00 C ATOM 168 O LEU A 11 -3.239 7.502 -14.354 1.00 25.00 O ATOM 169 CB LEU A 11 -0.954 7.118 -11.981 1.00 25.00 C ATOM 170 CG LEU A 11 -0.591 7.375 -10.511 1.00 25.00 C ATOM 171 CD1 LEU A 11 0.856 7.696 -10.428 1.00 25.00 C ATOM 172 CD2 LEU A 11 -1.398 8.512 -9.901 1.00 25.00 C ATOM 0 H LEU A 11 -1.854 4.919 -11.237 1.00 25.00 H new ATOM 0 HA LEU A 11 -3.116 7.373 -11.824 1.00 25.00 H new ATOM 0 HB2 LEU A 11 -0.281 6.353 -12.369 1.00 25.00 H new ATOM 0 HB3 LEU A 11 -0.758 8.030 -12.544 1.00 25.00 H new ATOM 0 HG LEU A 11 -0.827 6.474 -9.945 1.00 25.00 H new ATOM 0 HD11 LEU A 11 1.129 7.881 -9.389 1.00 25.00 H new ATOM 0 HD12 LEU A 11 1.437 6.858 -10.812 1.00 25.00 H new ATOM 0 HD13 LEU A 11 1.066 8.585 -11.022 1.00 25.00 H new ATOM 0 HD21 LEU A 11 -1.102 8.651 -8.861 1.00 25.00 H new ATOM 0 HD22 LEU A 11 -1.211 9.430 -10.458 1.00 25.00 H new ATOM 0 HD23 LEU A 11 -2.460 8.270 -9.946 1.00 25.00 H new ATOM 184 N ASN A 12 -2.041 5.615 -14.400 1.00 25.00 N ATOM 185 CA ASN A 12 -2.034 5.483 -15.843 1.00 25.00 C ATOM 186 C ASN A 12 -3.438 5.327 -16.413 1.00 25.00 C ATOM 187 O ASN A 12 -3.712 5.766 -17.509 1.00 25.00 O ATOM 188 CB ASN A 12 -1.192 4.274 -16.273 1.00 25.00 C ATOM 189 CG ASN A 12 0.279 4.489 -16.026 1.00 25.00 C ATOM 190 OD1 ASN A 12 0.709 5.585 -15.678 1.00 25.00 O ATOM 191 ND2 ASN A 12 1.054 3.460 -16.221 1.00 25.00 N ATOM 0 H ASN A 12 -1.580 4.846 -13.914 1.00 25.00 H new ATOM 0 HA ASN A 12 -1.599 6.402 -16.236 1.00 25.00 H new ATOM 0 HB2 ASN A 12 -1.525 3.390 -15.729 1.00 25.00 H new ATOM 0 HB3 ASN A 12 -1.356 4.077 -17.332 1.00 25.00 H new ATOM 0 HD21 ASN A 12 2.061 3.547 -16.085 1.00 25.00 H new ATOM 0 HD22 ASN A 12 0.654 2.567 -16.510 1.00 25.00 H new ATOM 198 N SER A 13 -4.330 4.711 -15.658 1.00 25.00 N ATOM 199 CA SER A 13 -5.714 4.545 -16.081 1.00 25.00 C ATOM 200 C SER A 13 -6.424 5.886 -16.182 1.00 25.00 C ATOM 201 O SER A 13 -7.207 6.101 -17.078 1.00 25.00 O ATOM 202 CB SER A 13 -6.450 3.645 -15.084 1.00 25.00 C ATOM 203 OG SER A 13 -5.831 2.393 -14.944 1.00 25.00 O ATOM 0 H SER A 13 -4.121 4.314 -14.742 1.00 25.00 H new ATOM 0 HA SER A 13 -5.717 4.084 -17.069 1.00 25.00 H new ATOM 0 HB2 SER A 13 -6.491 4.139 -14.113 1.00 25.00 H new ATOM 0 HB3 SER A 13 -7.479 3.505 -15.414 1.00 25.00 H new ATOM 0 HG SER A 13 -4.949 2.508 -14.532 1.00 25.00 H new ATOM 209 N GLN A 14 -6.108 6.806 -15.278 1.00 25.00 N ATOM 210 CA GLN A 14 -6.734 8.127 -15.291 1.00 25.00 C ATOM 211 C GLN A 14 -6.188 8.961 -16.439 1.00 25.00 C ATOM 212 O GLN A 14 -6.921 9.698 -17.101 1.00 25.00 O ATOM 213 CB GLN A 14 -6.461 8.862 -13.953 1.00 25.00 C ATOM 214 CG GLN A 14 -7.120 8.221 -12.711 1.00 25.00 C ATOM 215 CD GLN A 14 -8.635 8.359 -12.750 1.00 25.00 C ATOM 216 OE1 GLN A 14 -9.157 9.452 -12.878 1.00 25.00 O ATOM 217 NE2 GLN A 14 -9.340 7.273 -12.642 1.00 25.00 N ATOM 0 H GLN A 14 -5.428 6.666 -14.531 1.00 25.00 H new ATOM 0 HA GLN A 14 -7.808 7.994 -15.421 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -5.384 8.905 -13.793 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -6.812 9.890 -14.042 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -6.851 7.166 -12.659 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -6.734 8.694 -11.808 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -8.875 6.371 -12.536 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -10.359 7.322 -12.663 1.00 25.00 H new ATOM 226 N THR A 15 -4.881 8.900 -16.628 1.00 25.00 N ATOM 227 CA THR A 15 -4.211 9.780 -17.588 1.00 25.00 C ATOM 228 C THR A 15 -4.050 9.159 -18.976 1.00 25.00 C ATOM 229 O THR A 15 -3.281 9.679 -19.815 1.00 25.00 O ATOM 230 CB THR A 15 -2.807 10.147 -17.093 1.00 25.00 C ATOM 231 OG1 THR A 15 -2.029 8.959 -16.953 1.00 25.00 O ATOM 232 CG2 THR A 15 -2.859 10.819 -15.723 1.00 25.00 C ATOM 0 H THR A 15 -4.260 8.257 -16.136 1.00 25.00 H new ATOM 0 HA THR A 15 -4.854 10.656 -17.669 1.00 25.00 H new ATOM 0 HB THR A 15 -2.369 10.830 -17.821 1.00 25.00 H new ATOM 0 HG1 THR A 15 -1.109 9.134 -17.242 1.00 25.00 H new ATOM 0 HG21 THR A 15 -1.848 11.067 -15.401 1.00 25.00 H new ATOM 0 HG22 THR A 15 -3.453 11.731 -15.787 1.00 25.00 H new ATOM 0 HG23 THR A 15 -3.314 10.140 -15.002 1.00 25.00 H new ATOM 240 N ALA A 16 -4.724 8.036 -19.220 1.00 25.00 N ATOM 241 CA ALA A 16 -4.566 7.310 -20.481 1.00 25.00 C ATOM 242 C ALA A 16 -4.799 8.165 -21.746 1.00 25.00 C ATOM 243 O ALA A 16 -3.872 8.440 -22.507 1.00 25.00 O ATOM 244 CB ALA A 16 -5.498 6.088 -20.481 1.00 25.00 C ATOM 0 H ALA A 16 -5.381 7.610 -18.566 1.00 25.00 H new ATOM 0 HA ALA A 16 -3.521 7.003 -20.532 1.00 25.00 H new ATOM 0 HB1 ALA A 16 -5.384 5.544 -21.418 1.00 25.00 H new ATOM 0 HB2 ALA A 16 -5.240 5.434 -19.648 1.00 25.00 H new ATOM 0 HB3 ALA A 16 -6.531 6.419 -20.377 1.00 25.00 H new ATOM 250 N VAL A 17 -6.025 8.610 -21.952 1.00 25.00 N ATOM 251 CA VAL A 17 -6.335 9.427 -23.120 1.00 25.00 C ATOM 252 C VAL A 17 -5.753 10.842 -22.950 1.00 25.00 C ATOM 253 O VAL A 17 -5.465 11.536 -23.924 1.00 25.00 O ATOM 254 CB VAL A 17 -7.903 9.446 -23.358 1.00 25.00 C ATOM 255 CG1 VAL A 17 -8.643 10.279 -22.342 1.00 25.00 C ATOM 256 CG2 VAL A 17 -8.210 9.943 -24.757 1.00 25.00 C ATOM 0 H VAL A 17 -6.817 8.425 -21.336 1.00 25.00 H new ATOM 0 HA VAL A 17 -5.871 8.995 -24.007 1.00 25.00 H new ATOM 0 HB VAL A 17 -8.252 8.420 -23.241 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -9.711 10.252 -22.558 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -8.465 9.879 -21.344 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -8.289 11.309 -22.388 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -9.289 9.953 -24.911 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -7.817 10.952 -24.879 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -7.745 9.282 -25.488 1.00 25.00 H new ATOM 266 N GLN A 18 -5.584 11.267 -21.699 1.00 25.00 N ATOM 267 CA GLN A 18 -5.059 12.595 -21.398 1.00 25.00 C ATOM 268 C GLN A 18 -3.671 12.742 -22.023 1.00 25.00 C ATOM 269 O GLN A 18 -3.404 13.735 -22.741 1.00 25.00 O ATOM 270 CB GLN A 18 -5.026 12.817 -19.882 1.00 25.00 C ATOM 271 CG GLN A 18 -4.830 14.268 -19.501 1.00 25.00 C ATOM 272 CD GLN A 18 -4.763 14.479 -17.985 1.00 25.00 C ATOM 273 OE1 GLN A 18 -4.597 13.539 -17.237 1.00 25.00 O ATOM 274 NE2 GLN A 18 -4.926 15.702 -17.549 1.00 25.00 N ATOM 0 H GLN A 18 -5.804 10.707 -20.875 1.00 25.00 H new ATOM 0 HA GLN A 18 -5.709 13.359 -21.825 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -5.958 12.456 -19.447 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -4.221 12.222 -19.451 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -3.911 14.638 -19.956 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -5.649 14.860 -19.910 1.00 25.00 H new ATOM 0 HE21 GLN A 18 -5.063 16.466 -18.211 1.00 25.00 H new ATOM 0 HE22 GLN A 18 -4.916 15.892 -16.547 1.00 25.00 H new ATOM 283 N PHE A 19 -2.803 11.786 -21.775 1.00 25.00 N ATOM 284 CA PHE A 19 -1.453 11.846 -22.329 1.00 25.00 C ATOM 285 C PHE A 19 -1.481 11.542 -23.836 1.00 25.00 C ATOM 286 O PHE A 19 -0.683 12.073 -24.595 1.00 25.00 O ATOM 287 CB PHE A 19 -0.510 10.855 -21.645 1.00 25.00 C ATOM 288 CG PHE A 19 -0.122 11.235 -20.211 1.00 25.00 C ATOM 289 CD1 PHE A 19 -0.065 12.585 -19.783 1.00 25.00 C ATOM 290 CD2 PHE A 19 0.209 10.230 -19.278 1.00 25.00 C ATOM 291 CE1 PHE A 19 0.316 12.906 -18.472 1.00 25.00 C ATOM 292 CE2 PHE A 19 0.591 10.548 -17.962 1.00 25.00 C ATOM 293 CZ PHE A 19 0.632 11.892 -17.554 1.00 25.00 C ATOM 0 H PHE A 19 -2.996 10.965 -21.202 1.00 25.00 H new ATOM 0 HA PHE A 19 -1.082 12.856 -22.154 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -0.982 9.873 -21.632 1.00 25.00 H new ATOM 0 HB3 PHE A 19 0.397 10.765 -22.242 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -0.318 13.375 -20.474 1.00 25.00 H new ATOM 0 HD2 PHE A 19 0.168 9.194 -19.581 1.00 25.00 H new ATOM 0 HE1 PHE A 19 0.367 13.941 -18.166 1.00 25.00 H new ATOM 0 HE2 PHE A 19 0.852 9.762 -17.268 1.00 25.00 H new ATOM 0 HZ PHE A 19 0.905 12.144 -16.540 1.00 25.00 H new ATOM 303 N GLN A 20 -2.404 10.689 -24.262 1.00 25.00 N ATOM 304 CA GLN A 20 -2.496 10.301 -25.676 1.00 25.00 C ATOM 305 C GLN A 20 -2.741 11.474 -26.606 1.00 25.00 C ATOM 306 O GLN A 20 -2.108 11.596 -27.655 1.00 25.00 O ATOM 307 CB GLN A 20 -3.626 9.291 -25.820 1.00 25.00 C ATOM 308 CG GLN A 20 -3.712 8.658 -27.199 1.00 25.00 C ATOM 309 CD GLN A 20 -4.822 7.651 -27.319 1.00 25.00 C ATOM 310 OE1 GLN A 20 -5.709 7.565 -26.485 1.00 25.00 O ATOM 311 NE2 GLN A 20 -4.790 6.887 -28.374 1.00 25.00 N ATOM 0 H GLN A 20 -3.099 10.251 -23.657 1.00 25.00 H new ATOM 0 HA GLN A 20 -1.536 9.874 -25.967 1.00 25.00 H new ATOM 0 HB2 GLN A 20 -3.494 8.504 -25.077 1.00 25.00 H new ATOM 0 HB3 GLN A 20 -4.572 9.784 -25.597 1.00 25.00 H new ATOM 0 HG2 GLN A 20 -3.858 9.441 -27.943 1.00 25.00 H new ATOM 0 HG3 GLN A 20 -2.763 8.173 -27.429 1.00 25.00 H new ATOM 0 HE21 GLN A 20 -4.034 6.985 -29.052 1.00 25.00 H new ATOM 0 HE22 GLN A 20 -5.521 6.191 -28.522 1.00 25.00 H new ATOM 320 N GLN A 21 -3.658 12.363 -26.213 1.00 25.00 N ATOM 321 CA GLN A 21 -3.973 13.534 -27.019 1.00 25.00 C ATOM 322 C GLN A 21 -2.778 14.470 -27.085 1.00 25.00 C ATOM 323 O GLN A 21 -2.447 14.966 -28.159 1.00 25.00 O ATOM 324 CB GLN A 21 -5.170 14.269 -26.407 1.00 25.00 C ATOM 325 CG GLN A 21 -6.467 13.493 -26.485 1.00 25.00 C ATOM 326 CD GLN A 21 -7.550 14.078 -25.594 1.00 25.00 C ATOM 327 OE1 GLN A 21 -8.411 14.802 -26.032 1.00 25.00 O ATOM 328 NE2 GLN A 21 -7.483 13.770 -24.331 1.00 25.00 N ATOM 0 H GLN A 21 -4.190 12.290 -25.346 1.00 25.00 H new ATOM 0 HA GLN A 21 -4.219 13.210 -28.030 1.00 25.00 H new ATOM 0 HB2 GLN A 21 -4.953 14.492 -25.362 1.00 25.00 H new ATOM 0 HB3 GLN A 21 -5.297 15.224 -26.917 1.00 25.00 H new ATOM 0 HG2 GLN A 21 -6.818 13.481 -27.517 1.00 25.00 H new ATOM 0 HG3 GLN A 21 -6.285 12.457 -26.198 1.00 25.00 H new ATOM 0 HE21 GLN A 21 -6.742 13.155 -23.995 1.00 25.00 H new ATOM 0 HE22 GLN A 21 -8.172 14.143 -23.678 1.00 25.00 H new ATOM 337 N TYR A 22 -2.107 14.655 -25.969 1.00 25.00 N ATOM 338 CA TYR A 22 -0.914 15.489 -25.907 1.00 25.00 C ATOM 339 C TYR A 22 0.225 14.909 -26.738 1.00 25.00 C ATOM 340 O TYR A 22 0.906 15.618 -27.459 1.00 25.00 O ATOM 341 CB TYR A 22 -0.471 15.649 -24.463 1.00 25.00 C ATOM 342 CG TYR A 22 0.797 16.465 -24.361 1.00 25.00 C ATOM 343 CD1 TYR A 22 0.752 17.877 -24.372 1.00 25.00 C ATOM 344 CD2 TYR A 22 2.047 15.831 -24.253 1.00 25.00 C ATOM 345 CE1 TYR A 22 1.946 18.645 -24.284 1.00 25.00 C ATOM 346 CE2 TYR A 22 3.243 16.603 -24.159 1.00 25.00 C ATOM 347 CZ TYR A 22 3.181 17.998 -24.188 1.00 25.00 C ATOM 348 OH TYR A 22 4.330 18.727 -24.097 1.00 25.00 O ATOM 0 H TYR A 22 -2.368 14.235 -25.077 1.00 25.00 H new ATOM 0 HA TYR A 22 -1.167 16.464 -26.325 1.00 25.00 H new ATOM 0 HB2 TYR A 22 -1.263 16.131 -23.890 1.00 25.00 H new ATOM 0 HB3 TYR A 22 -0.310 14.666 -24.020 1.00 25.00 H new ATOM 0 HD1 TYR A 22 -0.201 18.380 -24.448 1.00 25.00 H new ATOM 0 HD2 TYR A 22 2.102 14.752 -24.241 1.00 25.00 H new ATOM 0 HE1 TYR A 22 1.898 19.724 -24.291 1.00 25.00 H new ATOM 0 HE2 TYR A 22 4.198 16.108 -24.065 1.00 25.00 H new ATOM 0 HH TYR A 22 5.098 18.121 -24.036 1.00 25.00 H new ATOM 358 N ALA A 23 0.425 13.600 -26.649 1.00 25.00 N ATOM 359 CA ALA A 23 1.481 12.953 -27.422 1.00 25.00 C ATOM 360 C ALA A 23 1.226 13.106 -28.916 1.00 25.00 C ATOM 361 O ALA A 23 2.159 13.299 -29.682 1.00 25.00 O ATOM 362 CB ALA A 23 1.600 11.489 -27.052 1.00 25.00 C ATOM 0 H ALA A 23 -0.121 12.972 -26.059 1.00 25.00 H new ATOM 0 HA ALA A 23 2.424 13.444 -27.182 1.00 25.00 H new ATOM 0 HB1 ALA A 23 2.393 11.028 -27.641 1.00 25.00 H new ATOM 0 HB2 ALA A 23 1.837 11.400 -25.992 1.00 25.00 H new ATOM 0 HB3 ALA A 23 0.656 10.984 -27.257 1.00 25.00 H new ATOM 368 N ALA A 24 -0.034 13.029 -29.318 1.00 25.00 N ATOM 369 CA ALA A 24 -0.397 13.158 -30.734 1.00 25.00 C ATOM 370 C ALA A 24 -0.181 14.608 -31.210 1.00 25.00 C ATOM 371 O ALA A 24 0.026 14.879 -32.392 1.00 25.00 O ATOM 372 CB ALA A 24 -1.846 12.723 -30.970 1.00 25.00 C ATOM 0 H ALA A 24 -0.825 12.878 -28.691 1.00 25.00 H new ATOM 0 HA ALA A 24 0.249 12.500 -31.315 1.00 25.00 H new ATOM 0 HB1 ALA A 24 -2.090 12.828 -32.027 1.00 25.00 H new ATOM 0 HB2 ALA A 24 -1.966 11.682 -30.672 1.00 25.00 H new ATOM 0 HB3 ALA A 24 -2.515 13.349 -30.379 1.00 25.00 H new ATOM 378 N GLN A 25 -0.202 15.552 -30.272 1.00 25.00 N ATOM 379 CA GLN A 25 0.027 16.963 -30.578 1.00 25.00 C ATOM 380 C GLN A 25 1.504 17.271 -30.718 1.00 25.00 C ATOM 381 O GLN A 25 1.885 18.287 -31.253 1.00 25.00 O ATOM 382 CB GLN A 25 -0.588 17.825 -29.457 1.00 25.00 C ATOM 383 CG GLN A 25 -1.571 18.892 -29.943 1.00 25.00 C ATOM 384 CD GLN A 25 -0.869 20.101 -30.559 1.00 25.00 C ATOM 385 OE1 GLN A 25 -0.227 20.872 -29.854 1.00 25.00 O ATOM 386 NE2 GLN A 25 -0.977 20.248 -31.857 1.00 25.00 N ATOM 0 H GLN A 25 -0.377 15.363 -29.285 1.00 25.00 H new ATOM 0 HA GLN A 25 -0.447 17.193 -31.532 1.00 25.00 H new ATOM 0 HB2 GLN A 25 -1.101 17.170 -28.753 1.00 25.00 H new ATOM 0 HB3 GLN A 25 0.217 18.314 -28.909 1.00 25.00 H new ATOM 0 HG2 GLN A 25 -2.243 18.453 -30.680 1.00 25.00 H new ATOM 0 HG3 GLN A 25 -2.187 19.222 -29.106 1.00 25.00 H new ATOM 0 HE21 GLN A 25 -1.522 19.580 -32.402 1.00 25.00 H new ATOM 0 HE22 GLN A 25 -0.516 21.030 -32.322 1.00 25.00 H new ATOM 395 N GLN A 26 2.333 16.343 -30.269 1.00 25.00 N ATOM 396 CA GLN A 26 3.788 16.492 -30.325 1.00 25.00 C ATOM 397 C GLN A 26 4.377 15.643 -31.451 1.00 25.00 C ATOM 398 O GLN A 26 5.173 16.126 -32.232 1.00 25.00 O ATOM 399 CB GLN A 26 4.415 16.042 -28.991 1.00 25.00 C ATOM 400 CG GLN A 26 4.085 16.967 -27.810 1.00 25.00 C ATOM 401 CD GLN A 26 4.643 18.363 -27.975 1.00 25.00 C ATOM 402 OE1 GLN A 26 5.846 18.551 -28.100 1.00 25.00 O ATOM 403 NE2 GLN A 26 3.780 19.338 -27.979 1.00 25.00 N ATOM 0 H GLN A 26 2.022 15.464 -29.855 1.00 25.00 H new ATOM 0 HA GLN A 26 4.011 17.543 -30.510 1.00 25.00 H new ATOM 0 HB2 GLN A 26 4.070 15.034 -28.759 1.00 25.00 H new ATOM 0 HB3 GLN A 26 5.497 15.989 -29.108 1.00 25.00 H new ATOM 0 HG2 GLN A 26 3.003 17.026 -27.694 1.00 25.00 H new ATOM 0 HG3 GLN A 26 4.480 16.530 -26.893 1.00 25.00 H new ATOM 0 HE21 GLN A 26 2.785 19.139 -27.872 1.00 25.00 H new ATOM 0 HE22 GLN A 26 4.099 20.301 -28.089 1.00 25.00 H new ATOM 412 N TYR A 27 3.958 14.386 -31.536 1.00 25.00 N ATOM 413 CA TYR A 27 4.432 13.484 -32.581 1.00 25.00 C ATOM 414 C TYR A 27 3.277 12.972 -33.440 1.00 25.00 C ATOM 415 O TYR A 27 2.903 11.787 -33.357 1.00 25.00 O ATOM 416 CB TYR A 27 5.198 12.306 -31.954 1.00 25.00 C ATOM 417 CG TYR A 27 6.367 12.726 -31.083 1.00 25.00 C ATOM 418 CD1 TYR A 27 7.248 13.765 -31.466 1.00 25.00 C ATOM 419 CD2 TYR A 27 6.600 12.084 -29.845 1.00 25.00 C ATOM 420 CE1 TYR A 27 8.306 14.170 -30.625 1.00 25.00 C ATOM 421 CE2 TYR A 27 7.664 12.493 -29.011 1.00 25.00 C ATOM 422 CZ TYR A 27 8.504 13.530 -29.410 1.00 25.00 C ATOM 423 OH TYR A 27 9.541 13.924 -28.598 1.00 25.00 O ATOM 0 H TYR A 27 3.288 13.966 -30.891 1.00 25.00 H new ATOM 0 HA TYR A 27 5.106 14.042 -33.230 1.00 25.00 H new ATOM 0 HB2 TYR A 27 4.506 11.713 -31.355 1.00 25.00 H new ATOM 0 HB3 TYR A 27 5.565 11.659 -32.751 1.00 25.00 H new ATOM 0 HD1 TYR A 27 7.108 14.256 -32.418 1.00 25.00 H new ATOM 0 HD2 TYR A 27 5.958 11.273 -29.534 1.00 25.00 H new ATOM 0 HE1 TYR A 27 8.960 14.975 -30.926 1.00 25.00 H new ATOM 0 HE2 TYR A 27 7.826 12.001 -28.063 1.00 25.00 H new ATOM 0 HH TYR A 27 9.544 13.379 -27.784 1.00 25.00 H new ATOM 433 N PRO A 28 2.671 13.842 -34.264 1.00 25.00 N ATOM 434 CA PRO A 28 1.524 13.339 -35.002 1.00 25.00 C ATOM 435 C PRO A 28 1.891 12.281 -36.032 1.00 25.00 C ATOM 436 O PRO A 28 2.959 12.328 -36.625 1.00 25.00 O ATOM 437 CB PRO A 28 0.966 14.611 -35.673 1.00 25.00 C ATOM 438 CG PRO A 28 2.145 15.488 -35.836 1.00 25.00 C ATOM 439 CD PRO A 28 2.946 15.256 -34.574 1.00 25.00 C ATOM 0 HA PRO A 28 0.809 12.831 -34.355 1.00 25.00 H new ATOM 0 HB2 PRO A 28 0.504 14.383 -36.634 1.00 25.00 H new ATOM 0 HB3 PRO A 28 0.202 15.083 -35.056 1.00 25.00 H new ATOM 0 HG2 PRO A 28 2.717 15.227 -36.726 1.00 25.00 H new ATOM 0 HG3 PRO A 28 1.854 16.534 -35.939 1.00 25.00 H new ATOM 0 HD2 PRO A 28 4.009 15.435 -34.732 1.00 25.00 H new ATOM 0 HD3 PRO A 28 2.628 15.916 -33.767 1.00 25.00 H new ATOM 447 N GLY A 29 0.995 11.328 -36.218 1.00 25.00 N ATOM 448 CA GLY A 29 1.211 10.248 -37.190 1.00 25.00 C ATOM 449 C GLY A 29 2.070 9.100 -36.678 1.00 25.00 C ATOM 450 O GLY A 29 1.957 7.972 -37.160 1.00 25.00 O ATOM 0 H GLY A 29 0.110 11.272 -35.714 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.242 9.852 -37.495 1.00 25.00 H new ATOM 0 HA3 GLY A 29 1.680 10.666 -38.081 1.00 25.00 H new ATOM 454 N ASN A 30 2.936 9.387 -35.736 1.00 25.00 N ATOM 455 CA ASN A 30 3.899 8.388 -35.255 1.00 25.00 C ATOM 456 C ASN A 30 3.449 7.747 -33.947 1.00 25.00 C ATOM 457 O ASN A 30 3.835 8.162 -32.854 1.00 25.00 O ATOM 458 CB ASN A 30 5.294 9.008 -35.079 1.00 25.00 C ATOM 459 CG ASN A 30 6.054 9.110 -36.396 1.00 25.00 C ATOM 460 OD1 ASN A 30 5.532 9.551 -37.395 1.00 25.00 O ATOM 461 ND2 ASN A 30 7.274 8.671 -36.374 1.00 25.00 N ATOM 0 H ASN A 30 3.005 10.297 -35.280 1.00 25.00 H new ATOM 0 HA ASN A 30 3.950 7.607 -36.014 1.00 25.00 H new ATOM 0 HB2 ASN A 30 5.195 10.002 -34.642 1.00 25.00 H new ATOM 0 HB3 ASN A 30 5.870 8.407 -34.376 1.00 25.00 H new ATOM 0 HD21 ASN A 30 7.838 8.688 -37.224 1.00 25.00 H new ATOM 0 HD22 ASN A 30 7.670 8.308 -35.507 1.00 25.00 H new ATOM 468 N TYR A 31 2.672 6.698 -34.084 1.00 25.00 N ATOM 469 CA TYR A 31 2.200 5.937 -32.932 1.00 25.00 C ATOM 470 C TYR A 31 3.329 5.467 -32.013 1.00 25.00 C ATOM 471 O TYR A 31 3.234 5.599 -30.799 1.00 25.00 O ATOM 472 CB TYR A 31 1.405 4.728 -33.427 1.00 25.00 C ATOM 473 CG TYR A 31 1.234 3.630 -32.383 1.00 25.00 C ATOM 474 CD1 TYR A 31 0.308 3.771 -31.322 1.00 25.00 C ATOM 475 CD2 TYR A 31 2.007 2.445 -32.448 1.00 25.00 C ATOM 476 CE1 TYR A 31 0.166 2.751 -30.346 1.00 25.00 C ATOM 477 CE2 TYR A 31 1.858 1.422 -31.475 1.00 25.00 C ATOM 478 CZ TYR A 31 0.952 1.595 -30.423 1.00 25.00 C ATOM 479 OH TYR A 31 0.810 0.623 -29.464 1.00 25.00 O ATOM 0 H TYR A 31 2.347 6.344 -34.984 1.00 25.00 H new ATOM 0 HA TYR A 31 1.573 6.604 -32.339 1.00 25.00 H new ATOM 0 HB2 TYR A 31 0.420 5.062 -33.753 1.00 25.00 H new ATOM 0 HB3 TYR A 31 1.905 4.310 -34.301 1.00 25.00 H new ATOM 0 HD1 TYR A 31 -0.296 4.664 -31.255 1.00 25.00 H new ATOM 0 HD2 TYR A 31 2.720 2.318 -33.249 1.00 25.00 H new ATOM 0 HE1 TYR A 31 -0.548 2.866 -29.544 1.00 25.00 H new ATOM 0 HE2 TYR A 31 2.441 0.515 -31.546 1.00 25.00 H new ATOM 0 HH TYR A 31 1.423 -0.117 -29.655 1.00 25.00 H new ATOM 489 N GLU A 32 4.427 4.972 -32.563 1.00 25.00 N ATOM 490 CA GLU A 32 5.537 4.531 -31.727 1.00 25.00 C ATOM 491 C GLU A 32 6.154 5.661 -30.896 1.00 25.00 C ATOM 492 O GLU A 32 6.379 5.500 -29.711 1.00 25.00 O ATOM 493 CB GLU A 32 6.599 3.896 -32.612 1.00 25.00 C ATOM 494 CG GLU A 32 7.123 4.760 -33.745 1.00 25.00 C ATOM 495 CD GLU A 32 7.919 3.987 -34.765 1.00 25.00 C ATOM 496 OE1 GLU A 32 8.939 3.370 -34.387 1.00 25.00 O ATOM 497 OE2 GLU A 32 7.526 3.993 -35.940 1.00 25.00 O ATOM 0 H GLU A 32 4.575 4.866 -33.567 1.00 25.00 H new ATOM 0 HA GLU A 32 5.142 3.807 -31.014 1.00 25.00 H new ATOM 0 HB2 GLU A 32 7.441 3.605 -31.984 1.00 25.00 H new ATOM 0 HB3 GLU A 32 6.189 2.981 -33.039 1.00 25.00 H new ATOM 0 HG2 GLU A 32 6.282 5.245 -34.242 1.00 25.00 H new ATOM 0 HG3 GLU A 32 7.748 5.551 -33.330 1.00 25.00 H new ATOM 504 N GLN A 33 6.349 6.829 -31.487 1.00 25.00 N ATOM 505 CA GLN A 33 6.930 7.959 -30.775 1.00 25.00 C ATOM 506 C GLN A 33 5.986 8.470 -29.714 1.00 25.00 C ATOM 507 O GLN A 33 6.364 8.809 -28.598 1.00 25.00 O ATOM 508 CB GLN A 33 7.273 9.099 -31.711 1.00 25.00 C ATOM 509 CG GLN A 33 8.380 8.770 -32.704 1.00 25.00 C ATOM 510 CD GLN A 33 9.686 8.454 -32.044 1.00 25.00 C ATOM 511 OE1 GLN A 33 10.055 9.093 -31.090 1.00 25.00 O ATOM 512 NE2 GLN A 33 10.374 7.443 -32.512 1.00 25.00 N ATOM 0 H GLN A 33 6.113 7.021 -32.461 1.00 25.00 H new ATOM 0 HA GLN A 33 7.847 7.596 -30.311 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.377 9.386 -32.262 1.00 25.00 H new ATOM 0 HB3 GLN A 33 7.574 9.964 -31.120 1.00 25.00 H new ATOM 0 HG2 GLN A 33 8.073 7.920 -33.313 1.00 25.00 H new ATOM 0 HG3 GLN A 33 8.516 9.614 -33.380 1.00 25.00 H new ATOM 0 HE21 GLN A 33 10.032 6.924 -33.321 1.00 25.00 H new ATOM 0 HE22 GLN A 33 11.252 7.174 -32.068 1.00 25.00 H new ATOM 521 N GLN A 34 4.711 8.462 -30.065 1.00 25.00 N ATOM 522 CA GLN A 34 3.663 8.878 -29.127 1.00 25.00 C ATOM 523 C GLN A 34 3.726 8.023 -27.875 1.00 25.00 C ATOM 524 O GLN A 34 3.569 8.526 -26.775 1.00 25.00 O ATOM 525 CB GLN A 34 2.272 8.738 -29.776 1.00 25.00 C ATOM 526 CG GLN A 34 1.890 9.872 -30.664 1.00 25.00 C ATOM 527 CD GLN A 34 0.671 9.537 -31.495 1.00 25.00 C ATOM 528 OE1 GLN A 34 -0.222 8.816 -31.060 1.00 25.00 O ATOM 529 NE2 GLN A 34 0.637 10.041 -32.696 1.00 25.00 N ATOM 0 H GLN A 34 4.371 8.176 -30.983 1.00 25.00 H new ATOM 0 HA GLN A 34 3.826 9.923 -28.865 1.00 25.00 H new ATOM 0 HB2 GLN A 34 2.246 7.815 -30.355 1.00 25.00 H new ATOM 0 HB3 GLN A 34 1.525 8.642 -28.988 1.00 25.00 H new ATOM 0 HG2 GLN A 34 1.688 10.757 -30.060 1.00 25.00 H new ATOM 0 HG3 GLN A 34 2.724 10.118 -31.321 1.00 25.00 H new ATOM 0 HE21 GLN A 34 1.399 10.636 -33.021 1.00 25.00 H new ATOM 0 HE22 GLN A 34 -0.152 9.840 -33.311 1.00 25.00 H new ATOM 538 N GLN A 35 3.993 6.740 -28.039 1.00 25.00 N ATOM 539 CA GLN A 35 4.054 5.820 -26.885 1.00 25.00 C ATOM 540 C GLN A 35 5.286 6.073 -26.012 1.00 25.00 C ATOM 541 O GLN A 35 5.231 5.992 -24.779 1.00 25.00 O ATOM 542 CB GLN A 35 4.043 4.363 -27.348 1.00 25.00 C ATOM 543 CG GLN A 35 2.727 3.904 -27.932 1.00 25.00 C ATOM 544 CD GLN A 35 1.604 3.918 -26.911 1.00 25.00 C ATOM 545 OE1 GLN A 35 1.673 3.243 -25.900 1.00 25.00 O ATOM 546 NE2 GLN A 35 0.575 4.688 -27.187 1.00 25.00 N ATOM 0 H GLN A 35 4.171 6.302 -28.943 1.00 25.00 H new ATOM 0 HA GLN A 35 3.167 6.013 -26.282 1.00 25.00 H new ATOM 0 HB2 GLN A 35 4.825 4.226 -28.094 1.00 25.00 H new ATOM 0 HB3 GLN A 35 4.294 3.724 -26.502 1.00 25.00 H new ATOM 0 HG2 GLN A 35 2.460 4.548 -28.770 1.00 25.00 H new ATOM 0 HG3 GLN A 35 2.841 2.895 -28.329 1.00 25.00 H new ATOM 0 HE21 GLN A 35 0.564 5.235 -28.048 1.00 25.00 H new ATOM 0 HE22 GLN A 35 -0.212 4.738 -26.540 1.00 25.00 H new ATOM 555 N ILE A 36 6.392 6.385 -26.653 1.00 25.00 N ATOM 556 CA ILE A 36 7.640 6.662 -25.929 1.00 25.00 C ATOM 557 C ILE A 36 7.455 7.905 -25.084 1.00 25.00 C ATOM 558 O ILE A 36 7.879 7.941 -23.914 1.00 25.00 O ATOM 559 CB ILE A 36 8.818 6.897 -26.918 1.00 25.00 C ATOM 560 CG1 ILE A 36 9.056 5.615 -27.751 1.00 25.00 C ATOM 561 CG2 ILE A 36 10.093 7.345 -26.164 1.00 25.00 C ATOM 562 CD1 ILE A 36 9.858 5.826 -29.009 1.00 25.00 C ATOM 0 H ILE A 36 6.465 6.456 -27.668 1.00 25.00 H new ATOM 0 HA ILE A 36 7.876 5.802 -25.303 1.00 25.00 H new ATOM 0 HB ILE A 36 8.560 7.705 -27.602 1.00 25.00 H new ATOM 0 HG12 ILE A 36 9.568 4.882 -27.128 1.00 25.00 H new ATOM 0 HG13 ILE A 36 8.090 5.187 -28.019 1.00 25.00 H new ATOM 0 HG21 ILE A 36 10.901 7.503 -26.878 1.00 25.00 H new ATOM 0 HG22 ILE A 36 9.893 8.275 -25.631 1.00 25.00 H new ATOM 0 HG23 ILE A 36 10.384 6.574 -25.451 1.00 25.00 H new ATOM 0 HD11 ILE A 36 9.976 4.875 -29.529 1.00 25.00 H new ATOM 0 HD12 ILE A 36 9.339 6.532 -29.657 1.00 25.00 H new ATOM 0 HD13 ILE A 36 10.840 6.223 -28.752 1.00 25.00 H new ATOM 574 N LEU A 37 6.770 8.902 -25.617 1.00 25.00 N ATOM 575 CA LEU A 37 6.537 10.139 -24.861 1.00 25.00 C ATOM 576 C LEU A 37 5.643 9.904 -23.630 1.00 25.00 C ATOM 577 O LEU A 37 5.964 10.319 -22.523 1.00 25.00 O ATOM 578 CB LEU A 37 5.908 11.179 -25.771 1.00 25.00 C ATOM 579 CG LEU A 37 5.700 12.581 -25.159 1.00 25.00 C ATOM 580 CD1 LEU A 37 6.961 13.177 -24.527 1.00 25.00 C ATOM 581 CD2 LEU A 37 5.234 13.532 -26.237 1.00 25.00 C ATOM 0 H LEU A 37 6.368 8.890 -26.554 1.00 25.00 H new ATOM 0 HA LEU A 37 7.501 10.496 -24.498 1.00 25.00 H new ATOM 0 HB2 LEU A 37 6.533 11.281 -26.658 1.00 25.00 H new ATOM 0 HB3 LEU A 37 4.941 10.803 -26.104 1.00 25.00 H new ATOM 0 HG LEU A 37 4.962 12.456 -24.367 1.00 25.00 H new ATOM 0 HD11 LEU A 37 6.733 14.162 -24.120 1.00 25.00 H new ATOM 0 HD12 LEU A 37 7.310 12.525 -23.726 1.00 25.00 H new ATOM 0 HD13 LEU A 37 7.739 13.269 -25.285 1.00 25.00 H new ATOM 0 HD21 LEU A 37 5.086 14.523 -25.809 1.00 25.00 H new ATOM 0 HD22 LEU A 37 5.986 13.586 -27.025 1.00 25.00 H new ATOM 0 HD23 LEU A 37 4.294 13.174 -26.656 1.00 25.00 H new ATOM 593 N ILE A 38 4.569 9.170 -23.825 1.00 25.00 N ATOM 594 CA ILE A 38 3.636 8.830 -22.739 1.00 25.00 C ATOM 595 C ILE A 38 4.352 8.060 -21.631 1.00 25.00 C ATOM 596 O ILE A 38 4.154 8.347 -20.446 1.00 25.00 O ATOM 597 CB ILE A 38 2.458 7.974 -23.279 1.00 25.00 C ATOM 598 CG1 ILE A 38 1.625 8.857 -24.228 1.00 25.00 C ATOM 599 CG2 ILE A 38 1.549 7.440 -22.127 1.00 25.00 C ATOM 600 CD1 ILE A 38 0.754 8.121 -25.198 1.00 25.00 C ATOM 0 H ILE A 38 4.306 8.787 -24.733 1.00 25.00 H new ATOM 0 HA ILE A 38 3.246 9.763 -22.331 1.00 25.00 H new ATOM 0 HB ILE A 38 2.862 7.106 -23.800 1.00 25.00 H new ATOM 0 HG12 ILE A 38 0.995 9.512 -23.626 1.00 25.00 H new ATOM 0 HG13 ILE A 38 2.305 9.497 -24.791 1.00 25.00 H new ATOM 0 HG21 ILE A 38 0.738 6.847 -22.549 1.00 25.00 H new ATOM 0 HG22 ILE A 38 2.141 6.819 -21.454 1.00 25.00 H new ATOM 0 HG23 ILE A 38 1.133 8.281 -21.572 1.00 25.00 H new ATOM 0 HD11 ILE A 38 0.213 8.837 -25.817 1.00 25.00 H new ATOM 0 HD12 ILE A 38 1.372 7.487 -25.833 1.00 25.00 H new ATOM 0 HD13 ILE A 38 0.042 7.503 -24.651 1.00 25.00 H new ATOM 612 N ARG A 39 5.218 7.119 -22.011 1.00 25.00 N ATOM 613 CA ARG A 39 6.003 6.350 -21.034 1.00 25.00 C ATOM 614 C ARG A 39 6.794 7.290 -20.123 1.00 25.00 C ATOM 615 O ARG A 39 6.889 7.064 -18.913 1.00 25.00 O ATOM 616 CB ARG A 39 6.933 5.421 -21.796 1.00 25.00 C ATOM 617 CG ARG A 39 7.803 4.507 -20.931 1.00 25.00 C ATOM 618 CD ARG A 39 8.519 3.524 -21.882 1.00 25.00 C ATOM 619 NE ARG A 39 9.532 2.711 -21.187 1.00 25.00 N ATOM 620 CZ ARG A 39 10.844 2.957 -21.198 1.00 25.00 C ATOM 621 NH1 ARG A 39 11.389 3.985 -21.849 1.00 25.00 N ATOM 622 NH2 ARG A 39 11.634 2.148 -20.549 1.00 25.00 N ATOM 0 H ARG A 39 5.396 6.869 -22.984 1.00 25.00 H new ATOM 0 HA ARG A 39 5.339 5.764 -20.398 1.00 25.00 H new ATOM 0 HB2 ARG A 39 6.333 4.800 -22.461 1.00 25.00 H new ATOM 0 HB3 ARG A 39 7.586 6.025 -22.426 1.00 25.00 H new ATOM 0 HG2 ARG A 39 8.528 5.090 -20.364 1.00 25.00 H new ATOM 0 HG3 ARG A 39 7.192 3.967 -20.208 1.00 25.00 H new ATOM 0 HD2 ARG A 39 7.782 2.866 -22.343 1.00 25.00 H new ATOM 0 HD3 ARG A 39 8.995 4.083 -22.687 1.00 25.00 H new ATOM 0 HE ARG A 39 9.207 1.901 -20.659 1.00 25.00 H new ATOM 0 HH11 ARG A 39 10.796 4.630 -22.372 1.00 25.00 H new ATOM 0 HH12 ARG A 39 12.399 4.127 -21.824 1.00 25.00 H new ATOM 0 HH21 ARG A 39 11.246 1.349 -20.048 1.00 25.00 H new ATOM 0 HH22 ARG A 39 12.640 2.314 -20.542 1.00 25.00 H new ATOM 636 N GLN A 40 7.318 8.356 -20.697 1.00 25.00 N ATOM 637 CA GLN A 40 8.091 9.335 -19.929 1.00 25.00 C ATOM 638 C GLN A 40 7.159 10.158 -19.027 1.00 25.00 C ATOM 639 O GLN A 40 7.459 10.411 -17.862 1.00 25.00 O ATOM 640 CB GLN A 40 8.840 10.244 -20.904 1.00 25.00 C ATOM 641 CG GLN A 40 9.972 11.088 -20.283 1.00 25.00 C ATOM 642 CD GLN A 40 10.611 12.035 -21.290 1.00 25.00 C ATOM 643 OE1 GLN A 40 10.071 13.077 -21.594 1.00 25.00 O ATOM 644 NE2 GLN A 40 11.742 11.648 -21.839 1.00 25.00 N ATOM 0 H GLN A 40 7.227 8.573 -21.690 1.00 25.00 H new ATOM 0 HA GLN A 40 8.808 8.821 -19.289 1.00 25.00 H new ATOM 0 HB2 GLN A 40 9.262 9.628 -21.698 1.00 25.00 H new ATOM 0 HB3 GLN A 40 8.122 10.918 -21.371 1.00 25.00 H new ATOM 0 HG2 GLN A 40 9.575 11.665 -19.448 1.00 25.00 H new ATOM 0 HG3 GLN A 40 10.736 10.424 -19.878 1.00 25.00 H new ATOM 0 HE21 GLN A 40 12.169 10.765 -21.559 1.00 25.00 H new ATOM 0 HE22 GLN A 40 12.192 12.231 -22.544 1.00 25.00 H new ATOM 653 N LEU A 41 6.001 10.575 -19.558 1.00 25.00 N ATOM 654 CA LEU A 41 5.050 11.410 -18.797 1.00 25.00 C ATOM 655 C LEU A 41 4.494 10.657 -17.602 1.00 25.00 C ATOM 656 O LEU A 41 4.307 11.245 -16.533 1.00 25.00 O ATOM 657 CB LEU A 41 3.872 11.858 -19.693 1.00 25.00 C ATOM 658 CG LEU A 41 4.207 12.689 -20.953 1.00 25.00 C ATOM 659 CD1 LEU A 41 2.945 12.961 -21.754 1.00 25.00 C ATOM 660 CD2 LEU A 41 4.878 14.005 -20.625 1.00 25.00 C ATOM 0 H LEU A 41 5.698 10.351 -20.506 1.00 25.00 H new ATOM 0 HA LEU A 41 5.599 12.285 -18.448 1.00 25.00 H new ATOM 0 HB2 LEU A 41 3.334 10.965 -20.012 1.00 25.00 H new ATOM 0 HB3 LEU A 41 3.185 12.441 -19.079 1.00 25.00 H new ATOM 0 HG LEU A 41 4.908 12.095 -21.539 1.00 25.00 H new ATOM 0 HD11 LEU A 41 3.195 13.547 -22.639 1.00 25.00 H new ATOM 0 HD12 LEU A 41 2.497 12.015 -22.060 1.00 25.00 H new ATOM 0 HD13 LEU A 41 2.236 13.516 -21.139 1.00 25.00 H new ATOM 0 HD21 LEU A 41 5.090 14.545 -21.548 1.00 25.00 H new ATOM 0 HD22 LEU A 41 4.218 14.603 -19.997 1.00 25.00 H new ATOM 0 HD23 LEU A 41 5.811 13.815 -20.094 1.00 25.00 H new ATOM 672 N GLN A 42 4.253 9.374 -17.762 1.00 25.00 N ATOM 673 CA GLN A 42 3.725 8.542 -16.696 1.00 25.00 C ATOM 674 C GLN A 42 4.713 8.461 -15.539 1.00 25.00 C ATOM 675 O GLN A 42 4.327 8.542 -14.361 1.00 25.00 O ATOM 676 CB GLN A 42 3.437 7.140 -17.232 1.00 25.00 C ATOM 677 CG GLN A 42 2.233 7.096 -18.181 1.00 25.00 C ATOM 678 CD GLN A 42 2.047 5.752 -18.829 1.00 25.00 C ATOM 679 OE1 GLN A 42 2.995 5.012 -19.021 1.00 25.00 O ATOM 680 NE2 GLN A 42 0.845 5.428 -19.175 1.00 25.00 N ATOM 0 H GLN A 42 4.417 8.875 -18.636 1.00 25.00 H new ATOM 0 HA GLN A 42 2.800 8.988 -16.330 1.00 25.00 H new ATOM 0 HB2 GLN A 42 4.318 6.769 -17.755 1.00 25.00 H new ATOM 0 HB3 GLN A 42 3.257 6.467 -16.394 1.00 25.00 H new ATOM 0 HG2 GLN A 42 1.331 7.355 -17.627 1.00 25.00 H new ATOM 0 HG3 GLN A 42 2.359 7.853 -18.955 1.00 25.00 H new ATOM 0 HE21 GLN A 42 0.073 6.071 -19.000 1.00 25.00 H new ATOM 0 HE22 GLN A 42 0.668 4.529 -19.623 1.00 25.00 H new ATOM 689 N GLU A 43 6.003 8.346 -15.851 1.00 25.00 N ATOM 690 CA GLU A 43 7.013 8.312 -14.793 1.00 25.00 C ATOM 691 C GLU A 43 7.077 9.650 -14.059 1.00 25.00 C ATOM 692 O GLU A 43 7.147 9.659 -12.837 1.00 25.00 O ATOM 693 CB GLU A 43 8.373 7.952 -15.367 1.00 25.00 C ATOM 694 CG GLU A 43 9.395 7.641 -14.272 1.00 25.00 C ATOM 695 CD GLU A 43 10.754 7.298 -14.857 1.00 25.00 C ATOM 696 OE1 GLU A 43 11.355 8.159 -15.523 1.00 25.00 O ATOM 697 OE2 GLU A 43 11.208 6.136 -14.673 1.00 25.00 O ATOM 0 H GLU A 43 6.368 8.276 -16.801 1.00 25.00 H new ATOM 0 HA GLU A 43 6.727 7.544 -14.074 1.00 25.00 H new ATOM 0 HB2 GLU A 43 8.272 7.088 -16.024 1.00 25.00 H new ATOM 0 HB3 GLU A 43 8.738 8.777 -15.979 1.00 25.00 H new ATOM 0 HG2 GLU A 43 9.490 8.500 -13.608 1.00 25.00 H new ATOM 0 HG3 GLU A 43 9.038 6.808 -13.666 1.00 25.00 H new ATOM 704 N GLN A 44 6.965 10.759 -14.780 1.00 25.00 N ATOM 705 CA GLN A 44 6.992 12.109 -14.172 1.00 25.00 C ATOM 706 C GLN A 44 5.819 12.265 -13.198 1.00 25.00 C ATOM 707 O GLN A 44 5.971 12.804 -12.114 1.00 25.00 O ATOM 708 CB GLN A 44 6.925 13.180 -15.255 1.00 25.00 C ATOM 709 CG GLN A 44 8.175 13.260 -16.106 1.00 25.00 C ATOM 710 CD GLN A 44 9.288 13.997 -15.396 1.00 25.00 C ATOM 711 OE1 GLN A 44 9.995 13.439 -14.557 1.00 25.00 O ATOM 712 NE2 GLN A 44 9.439 15.252 -15.699 1.00 25.00 N ATOM 0 H GLN A 44 6.853 10.763 -15.794 1.00 25.00 H new ATOM 0 HA GLN A 44 7.926 12.230 -13.624 1.00 25.00 H new ATOM 0 HB2 GLN A 44 6.069 12.980 -15.899 1.00 25.00 H new ATOM 0 HB3 GLN A 44 6.752 14.149 -14.786 1.00 25.00 H new ATOM 0 HG2 GLN A 44 8.508 12.253 -16.359 1.00 25.00 H new ATOM 0 HG3 GLN A 44 7.945 13.765 -17.044 1.00 25.00 H new ATOM 0 HE21 GLN A 44 8.836 15.684 -16.399 1.00 25.00 H new ATOM 0 HE22 GLN A 44 10.161 15.805 -15.237 1.00 25.00 H new ATOM 721 N HIS A 45 4.656 11.752 -13.591 1.00 25.00 N ATOM 722 CA HIS A 45 3.477 11.820 -12.731 1.00 25.00 C ATOM 723 C HIS A 45 3.692 10.948 -11.476 1.00 25.00 C ATOM 724 O HIS A 45 3.282 11.319 -10.366 1.00 25.00 O ATOM 725 CB HIS A 45 2.248 11.338 -13.517 1.00 25.00 C ATOM 726 CG HIS A 45 1.152 12.360 -13.580 1.00 25.00 C ATOM 727 ND1 HIS A 45 1.269 13.596 -14.166 1.00 25.00 N ATOM 728 CD2 HIS A 45 -0.118 12.322 -13.076 1.00 25.00 C ATOM 729 CE1 HIS A 45 0.109 14.231 -14.034 1.00 25.00 C ATOM 730 NE2 HIS A 45 -0.776 13.502 -13.388 1.00 25.00 N ATOM 0 H HIS A 45 4.505 11.290 -14.488 1.00 25.00 H new ATOM 0 HA HIS A 45 3.314 12.849 -12.412 1.00 25.00 H new ATOM 0 HB2 HIS A 45 2.552 11.077 -14.531 1.00 25.00 H new ATOM 0 HB3 HIS A 45 1.863 10.429 -13.056 1.00 25.00 H new ATOM 0 HD2 HIS A 45 -0.543 11.499 -12.520 1.00 25.00 H new ATOM 0 HE1 HIS A 45 -0.084 15.224 -14.411 1.00 25.00 H new ATOM 0 HE2 HIS A 45 -1.739 13.752 -13.165 1.00 25.00 H new ATOM 738 N TYR A 46 4.329 9.801 -11.652 1.00 25.00 N ATOM 739 CA TYR A 46 4.601 8.905 -10.544 1.00 25.00 C ATOM 740 C TYR A 46 5.585 9.532 -9.576 1.00 25.00 C ATOM 741 O TYR A 46 5.433 9.439 -8.356 1.00 25.00 O ATOM 742 CB TYR A 46 5.150 7.584 -11.055 1.00 25.00 C ATOM 743 CG TYR A 46 5.252 6.540 -9.985 1.00 25.00 C ATOM 744 CD1 TYR A 46 4.087 5.988 -9.423 1.00 25.00 C ATOM 745 CD2 TYR A 46 6.499 6.080 -9.518 1.00 25.00 C ATOM 746 CE1 TYR A 46 4.152 5.004 -8.417 1.00 25.00 C ATOM 747 CE2 TYR A 46 6.564 5.083 -8.497 1.00 25.00 C ATOM 748 CZ TYR A 46 5.383 4.552 -7.965 1.00 25.00 C ATOM 749 OH TYR A 46 5.359 3.583 -6.997 1.00 25.00 O ATOM 0 H TYR A 46 4.667 9.470 -12.555 1.00 25.00 H new ATOM 0 HA TYR A 46 3.664 8.721 -10.018 1.00 25.00 H new ATOM 0 HB2 TYR A 46 4.508 7.215 -11.855 1.00 25.00 H new ATOM 0 HB3 TYR A 46 6.136 7.750 -11.488 1.00 25.00 H new ATOM 0 HD1 TYR A 46 3.122 6.326 -9.770 1.00 25.00 H new ATOM 0 HD2 TYR A 46 7.410 6.483 -9.934 1.00 25.00 H new ATOM 0 HE1 TYR A 46 3.242 4.601 -7.997 1.00 25.00 H new ATOM 0 HE2 TYR A 46 7.522 4.740 -8.136 1.00 25.00 H new ATOM 0 HH TYR A 46 4.869 2.802 -7.328 1.00 25.00 H new ATOM 759 N GLN A 47 6.584 10.220 -10.117 1.00 25.00 N ATOM 760 CA GLN A 47 7.599 10.884 -9.292 1.00 25.00 C ATOM 761 C GLN A 47 6.940 11.968 -8.427 1.00 25.00 C ATOM 762 O GLN A 47 7.233 12.082 -7.240 1.00 25.00 O ATOM 763 CB GLN A 47 8.669 11.522 -10.178 1.00 25.00 C ATOM 764 CG GLN A 47 9.636 10.523 -10.856 1.00 25.00 C ATOM 765 CD GLN A 47 10.641 9.951 -9.868 1.00 25.00 C ATOM 766 OE1 GLN A 47 10.314 9.062 -9.071 1.00 25.00 O ATOM 767 NE2 GLN A 47 11.837 10.458 -9.899 1.00 25.00 N ATOM 0 H GLN A 47 6.717 10.335 -11.122 1.00 25.00 H new ATOM 0 HA GLN A 47 8.067 10.139 -8.649 1.00 25.00 H new ATOM 0 HB2 GLN A 47 8.176 12.109 -10.952 1.00 25.00 H new ATOM 0 HB3 GLN A 47 9.253 12.217 -9.574 1.00 25.00 H new ATOM 0 HG2 GLN A 47 9.064 9.711 -11.304 1.00 25.00 H new ATOM 0 HG3 GLN A 47 10.167 11.024 -11.666 1.00 25.00 H new ATOM 0 HE21 GLN A 47 12.064 11.190 -10.573 1.00 25.00 H new ATOM 0 HE22 GLN A 47 12.549 10.124 -9.250 1.00 25.00 H new ATOM 776 N GLN A 48 6.042 12.742 -9.010 1.00 25.00 N ATOM 777 CA GLN A 48 5.316 13.778 -8.267 1.00 25.00 C ATOM 778 C GLN A 48 4.514 13.099 -7.135 1.00 25.00 C ATOM 779 O GLN A 48 4.524 13.562 -5.994 1.00 25.00 O ATOM 780 CB GLN A 48 4.361 14.516 -9.204 1.00 25.00 C ATOM 781 CG GLN A 48 3.551 15.629 -8.545 1.00 25.00 C ATOM 782 CD GLN A 48 2.604 16.287 -9.510 1.00 25.00 C ATOM 783 OE1 GLN A 48 2.904 17.339 -10.054 1.00 25.00 O ATOM 784 NE2 GLN A 48 1.446 15.684 -9.723 1.00 25.00 N ATOM 0 H GLN A 48 5.792 12.679 -9.997 1.00 25.00 H new ATOM 0 HA GLN A 48 6.020 14.497 -7.848 1.00 25.00 H new ATOM 0 HB2 GLN A 48 4.937 14.942 -10.025 1.00 25.00 H new ATOM 0 HB3 GLN A 48 3.671 13.793 -9.640 1.00 25.00 H new ATOM 0 HG2 GLN A 48 2.987 15.219 -7.707 1.00 25.00 H new ATOM 0 HG3 GLN A 48 4.230 16.378 -8.137 1.00 25.00 H new ATOM 0 HE21 GLN A 48 1.233 14.806 -9.249 1.00 25.00 H new ATOM 0 HE22 GLN A 48 0.766 16.097 -10.361 1.00 25.00 H new ATOM 793 N TYR A 49 3.878 11.985 -7.444 1.00 25.00 N ATOM 794 CA TYR A 49 3.089 11.252 -6.461 1.00 25.00 C ATOM 795 C TYR A 49 3.988 10.765 -5.314 1.00 25.00 C ATOM 796 O TYR A 49 3.673 10.934 -4.155 1.00 25.00 O ATOM 797 CB TYR A 49 2.386 10.077 -7.165 1.00 25.00 C ATOM 798 CG TYR A 49 1.279 9.429 -6.379 1.00 25.00 C ATOM 799 CD1 TYR A 49 0.046 10.096 -6.197 1.00 25.00 C ATOM 800 CD2 TYR A 49 1.441 8.136 -5.839 1.00 25.00 C ATOM 801 CE1 TYR A 49 -1.014 9.490 -5.473 1.00 25.00 C ATOM 802 CE2 TYR A 49 0.387 7.523 -5.112 1.00 25.00 C ATOM 803 CZ TYR A 49 -0.832 8.194 -4.947 1.00 25.00 C ATOM 804 OH TYR A 49 -1.829 7.602 -4.234 1.00 25.00 O ATOM 0 H TYR A 49 3.890 11.563 -8.372 1.00 25.00 H new ATOM 0 HA TYR A 49 2.332 11.905 -6.026 1.00 25.00 H new ATOM 0 HB2 TYR A 49 1.978 10.433 -8.111 1.00 25.00 H new ATOM 0 HB3 TYR A 49 3.132 9.319 -7.404 1.00 25.00 H new ATOM 0 HD1 TYR A 49 -0.092 11.082 -6.615 1.00 25.00 H new ATOM 0 HD2 TYR A 49 2.373 7.609 -5.980 1.00 25.00 H new ATOM 0 HE1 TYR A 49 -1.947 10.014 -5.327 1.00 25.00 H new ATOM 0 HE2 TYR A 49 0.525 6.540 -4.686 1.00 25.00 H new ATOM 0 HH TYR A 49 -1.540 6.711 -3.945 1.00 25.00 H new ATOM 814 N MET A 50 5.129 10.182 -5.651 1.00 25.00 N ATOM 815 CA MET A 50 6.041 9.657 -4.648 1.00 25.00 C ATOM 816 C MET A 50 6.670 10.775 -3.799 1.00 25.00 C ATOM 817 O MET A 50 6.836 10.635 -2.598 1.00 25.00 O ATOM 818 CB MET A 50 7.143 8.812 -5.287 1.00 25.00 C ATOM 819 CG MET A 50 7.676 7.675 -4.386 1.00 25.00 C ATOM 820 SD MET A 50 7.057 6.050 -4.891 1.00 25.00 S ATOM 821 CE MET A 50 5.297 6.211 -4.664 1.00 25.00 C ATOM 0 H MET A 50 5.445 10.061 -6.613 1.00 25.00 H new ATOM 0 HA MET A 50 5.446 9.024 -3.990 1.00 25.00 H new ATOM 0 HB2 MET A 50 6.762 8.379 -6.212 1.00 25.00 H new ATOM 0 HB3 MET A 50 7.973 9.464 -5.559 1.00 25.00 H new ATOM 0 HG2 MET A 50 8.766 7.671 -4.416 1.00 25.00 H new ATOM 0 HG3 MET A 50 7.386 7.867 -3.353 1.00 25.00 H new ATOM 0 HE1 MET A 50 4.804 5.290 -4.975 1.00 25.00 H new ATOM 0 HE2 MET A 50 5.082 6.401 -3.613 1.00 25.00 H new ATOM 0 HE3 MET A 50 4.927 7.041 -5.266 1.00 25.00 H new ATOM 831 N GLN A 51 6.988 11.922 -4.419 1.00 25.00 N ATOM 832 CA GLN A 51 7.560 13.061 -3.699 1.00 25.00 C ATOM 833 C GLN A 51 6.569 13.622 -2.689 1.00 25.00 C ATOM 834 O GLN A 51 6.944 13.982 -1.572 1.00 25.00 O ATOM 835 CB GLN A 51 7.952 14.160 -4.700 1.00 25.00 C ATOM 836 CG GLN A 51 8.832 15.262 -4.127 1.00 25.00 C ATOM 837 CD GLN A 51 9.269 16.226 -5.211 1.00 25.00 C ATOM 838 OE1 GLN A 51 8.486 16.630 -6.050 1.00 25.00 O ATOM 839 NE2 GLN A 51 10.511 16.643 -5.144 1.00 25.00 N ATOM 0 H GLN A 51 6.857 12.081 -5.418 1.00 25.00 H new ATOM 0 HA GLN A 51 8.444 12.718 -3.161 1.00 25.00 H new ATOM 0 HB2 GLN A 51 8.472 13.698 -5.539 1.00 25.00 H new ATOM 0 HB3 GLN A 51 7.043 14.611 -5.098 1.00 25.00 H new ATOM 0 HG2 GLN A 51 8.287 15.802 -3.353 1.00 25.00 H new ATOM 0 HG3 GLN A 51 9.709 14.822 -3.651 1.00 25.00 H new ATOM 0 HE21 GLN A 51 11.134 16.277 -4.424 1.00 25.00 H new ATOM 0 HE22 GLN A 51 10.854 17.333 -5.812 1.00 25.00 H new ATOM 848 N GLN A 52 5.289 13.641 -3.045 1.00 25.00 N ATOM 849 CA GLN A 52 4.276 14.113 -2.111 1.00 25.00 C ATOM 850 C GLN A 52 4.134 13.103 -0.979 1.00 25.00 C ATOM 851 O GLN A 52 4.053 13.494 0.196 1.00 25.00 O ATOM 852 CB GLN A 52 2.938 14.311 -2.833 1.00 25.00 C ATOM 853 CG GLN A 52 1.901 15.077 -2.009 1.00 25.00 C ATOM 854 CD GLN A 52 0.624 15.341 -2.775 1.00 25.00 C ATOM 855 OE1 GLN A 52 -0.238 14.481 -2.901 1.00 25.00 O ATOM 856 NE2 GLN A 52 0.502 16.534 -3.301 1.00 25.00 N ATOM 0 H GLN A 52 4.934 13.342 -3.953 1.00 25.00 H new ATOM 0 HA GLN A 52 4.579 15.075 -1.697 1.00 25.00 H new ATOM 0 HB2 GLN A 52 3.115 14.846 -3.766 1.00 25.00 H new ATOM 0 HB3 GLN A 52 2.530 13.335 -3.097 1.00 25.00 H new ATOM 0 HG2 GLN A 52 1.668 14.510 -1.108 1.00 25.00 H new ATOM 0 HG3 GLN A 52 2.329 16.026 -1.686 1.00 25.00 H new ATOM 0 HE21 GLN A 52 1.242 17.225 -3.175 1.00 25.00 H new ATOM 0 HE22 GLN A 52 -0.333 16.772 -3.837 1.00 25.00 H new ATOM 865 N LEU A 53 4.119 11.818 -1.297 1.00 25.00 N ATOM 866 CA LEU A 53 3.975 10.762 -0.274 1.00 25.00 C ATOM 867 C LEU A 53 5.131 10.751 0.713 1.00 25.00 C ATOM 868 O LEU A 53 4.957 10.469 1.868 1.00 25.00 O ATOM 869 CB LEU A 53 3.841 9.371 -0.929 1.00 25.00 C ATOM 870 CG LEU A 53 2.488 9.049 -1.582 1.00 25.00 C ATOM 871 CD1 LEU A 53 2.584 7.729 -2.329 1.00 25.00 C ATOM 872 CD2 LEU A 53 1.359 8.962 -0.526 1.00 25.00 C ATOM 0 H LEU A 53 4.204 11.469 -2.251 1.00 25.00 H new ATOM 0 HA LEU A 53 3.064 10.991 0.279 1.00 25.00 H new ATOM 0 HB2 LEU A 53 4.618 9.275 -1.688 1.00 25.00 H new ATOM 0 HB3 LEU A 53 4.042 8.615 -0.170 1.00 25.00 H new ATOM 0 HG LEU A 53 2.246 9.855 -2.275 1.00 25.00 H new ATOM 0 HD11 LEU A 53 1.623 7.502 -2.792 1.00 25.00 H new ATOM 0 HD12 LEU A 53 3.350 7.803 -3.101 1.00 25.00 H new ATOM 0 HD13 LEU A 53 2.847 6.934 -1.631 1.00 25.00 H new ATOM 0 HD21 LEU A 53 0.415 8.733 -1.021 1.00 25.00 H new ATOM 0 HD22 LEU A 53 1.592 8.176 0.192 1.00 25.00 H new ATOM 0 HD23 LEU A 53 1.274 9.916 -0.005 1.00 25.00 H new ATOM 884 N TYR A 54 6.310 11.128 0.242 1.00 25.00 N ATOM 885 CA TYR A 54 7.484 11.239 1.095 1.00 25.00 C ATOM 886 C TYR A 54 7.245 12.299 2.181 1.00 25.00 C ATOM 887 O TYR A 54 7.584 12.091 3.358 1.00 25.00 O ATOM 888 CB TYR A 54 8.719 11.607 0.253 1.00 25.00 C ATOM 889 CG TYR A 54 9.728 12.503 0.951 1.00 25.00 C ATOM 890 CD1 TYR A 54 10.605 11.985 1.926 1.00 25.00 C ATOM 891 CD2 TYR A 54 9.802 13.874 0.631 1.00 25.00 C ATOM 892 CE1 TYR A 54 11.525 12.833 2.562 1.00 25.00 C ATOM 893 CE2 TYR A 54 10.727 14.718 1.275 1.00 25.00 C ATOM 894 CZ TYR A 54 11.584 14.192 2.236 1.00 25.00 C ATOM 895 OH TYR A 54 12.515 15.000 2.861 1.00 25.00 O ATOM 0 H TYR A 54 6.480 11.364 -0.736 1.00 25.00 H new ATOM 0 HA TYR A 54 7.664 10.277 1.576 1.00 25.00 H new ATOM 0 HB2 TYR A 54 9.220 10.688 -0.050 1.00 25.00 H new ATOM 0 HB3 TYR A 54 8.384 12.103 -0.658 1.00 25.00 H new ATOM 0 HD1 TYR A 54 10.569 10.937 2.183 1.00 25.00 H new ATOM 0 HD2 TYR A 54 9.140 14.283 -0.118 1.00 25.00 H new ATOM 0 HE1 TYR A 54 12.193 12.433 3.310 1.00 25.00 H new ATOM 0 HE2 TYR A 54 10.771 15.768 1.024 1.00 25.00 H new ATOM 0 HH TYR A 54 12.430 15.917 2.525 1.00 25.00 H new ATOM 905 N GLN A 55 6.640 13.415 1.817 1.00 25.00 N ATOM 906 CA GLN A 55 6.354 14.461 2.792 1.00 25.00 C ATOM 907 C GLN A 55 5.230 14.021 3.733 1.00 25.00 C ATOM 908 O GLN A 55 5.271 14.306 4.939 1.00 25.00 O ATOM 909 CB GLN A 55 5.952 15.752 2.083 1.00 25.00 C ATOM 910 CG GLN A 55 7.002 16.252 1.124 1.00 25.00 C ATOM 911 CD GLN A 55 6.594 17.520 0.425 1.00 25.00 C ATOM 912 OE1 GLN A 55 6.261 18.527 1.047 1.00 25.00 O ATOM 913 NE2 GLN A 55 6.634 17.474 -0.874 1.00 25.00 N ATOM 0 H GLN A 55 6.338 13.623 0.865 1.00 25.00 H new ATOM 0 HA GLN A 55 7.257 14.640 3.376 1.00 25.00 H new ATOM 0 HB2 GLN A 55 5.022 15.586 1.540 1.00 25.00 H new ATOM 0 HB3 GLN A 55 5.753 16.522 2.828 1.00 25.00 H new ATOM 0 HG2 GLN A 55 7.931 16.424 1.667 1.00 25.00 H new ATOM 0 HG3 GLN A 55 7.205 15.481 0.380 1.00 25.00 H new ATOM 0 HE21 GLN A 55 6.917 16.615 -1.345 1.00 25.00 H new ATOM 0 HE22 GLN A 55 6.382 18.297 -1.421 1.00 25.00 H new ATOM 922 N VAL A 56 4.251 13.320 3.182 1.00 25.00 N ATOM 923 CA VAL A 56 3.131 12.827 4.006 1.00 25.00 C ATOM 924 C VAL A 56 3.639 11.844 5.039 1.00 25.00 C ATOM 925 O VAL A 56 3.229 11.857 6.199 1.00 25.00 O ATOM 926 CB VAL A 56 2.041 12.174 3.125 1.00 25.00 C ATOM 927 CG1 VAL A 56 0.932 11.537 3.940 1.00 25.00 C ATOM 928 CG2 VAL A 56 1.414 13.197 2.180 1.00 25.00 C ATOM 0 H VAL A 56 4.198 13.078 2.193 1.00 25.00 H new ATOM 0 HA VAL A 56 2.682 13.677 4.520 1.00 25.00 H new ATOM 0 HB VAL A 56 2.548 11.394 2.558 1.00 25.00 H new ATOM 0 HG11 VAL A 56 0.196 11.095 3.269 1.00 25.00 H new ATOM 0 HG12 VAL A 56 1.351 10.761 4.581 1.00 25.00 H new ATOM 0 HG13 VAL A 56 0.451 12.297 4.556 1.00 25.00 H new ATOM 0 HG21 VAL A 56 0.651 12.711 1.572 1.00 25.00 H new ATOM 0 HG22 VAL A 56 0.959 13.998 2.762 1.00 25.00 H new ATOM 0 HG23 VAL A 56 2.185 13.613 1.531 1.00 25.00 H new ATOM 938 N GLN A 57 4.611 11.015 4.658 1.00 25.00 N ATOM 939 CA GLN A 57 5.223 10.106 5.596 1.00 25.00 C ATOM 940 C GLN A 57 5.861 10.850 6.758 1.00 25.00 C ATOM 941 O GLN A 57 5.647 10.515 7.903 1.00 25.00 O ATOM 942 CB GLN A 57 6.284 9.253 4.905 1.00 25.00 C ATOM 943 CG GLN A 57 5.724 8.044 4.159 1.00 25.00 C ATOM 944 CD GLN A 57 6.321 6.751 4.652 1.00 25.00 C ATOM 945 OE1 GLN A 57 6.039 6.304 5.759 1.00 25.00 O ATOM 946 NE2 GLN A 57 7.129 6.144 3.839 1.00 25.00 N ATOM 0 H GLN A 57 4.982 10.962 3.709 1.00 25.00 H new ATOM 0 HA GLN A 57 4.432 9.464 5.984 1.00 25.00 H new ATOM 0 HB2 GLN A 57 6.835 9.877 4.201 1.00 25.00 H new ATOM 0 HB3 GLN A 57 6.999 8.907 5.651 1.00 25.00 H new ATOM 0 HG2 GLN A 57 4.641 8.013 4.280 1.00 25.00 H new ATOM 0 HG3 GLN A 57 5.923 8.152 3.093 1.00 25.00 H new ATOM 0 HE21 GLN A 57 7.336 6.551 2.927 1.00 25.00 H new ATOM 0 HE22 GLN A 57 7.557 5.259 4.112 1.00 25.00 H new ATOM 955 N LEU A 58 6.618 11.891 6.477 1.00 25.00 N ATOM 956 CA LEU A 58 7.271 12.669 7.538 1.00 25.00 C ATOM 957 C LEU A 58 6.243 13.419 8.395 1.00 25.00 C ATOM 958 O LEU A 58 6.463 13.638 9.603 1.00 25.00 O ATOM 959 CB LEU A 58 8.236 13.654 6.905 1.00 25.00 C ATOM 960 CG LEU A 58 9.468 13.083 6.209 1.00 25.00 C ATOM 961 CD1 LEU A 58 10.202 14.248 5.529 1.00 25.00 C ATOM 962 CD2 LEU A 58 10.376 12.372 7.188 1.00 25.00 C ATOM 0 H LEU A 58 6.803 12.225 5.531 1.00 25.00 H new ATOM 0 HA LEU A 58 7.810 11.984 8.192 1.00 25.00 H new ATOM 0 HB2 LEU A 58 7.682 14.247 6.177 1.00 25.00 H new ATOM 0 HB3 LEU A 58 8.575 14.339 7.682 1.00 25.00 H new ATOM 0 HG LEU A 58 9.165 12.341 5.470 1.00 25.00 H new ATOM 0 HD11 LEU A 58 11.090 13.872 5.021 1.00 25.00 H new ATOM 0 HD12 LEU A 58 9.541 14.720 4.802 1.00 25.00 H new ATOM 0 HD13 LEU A 58 10.497 14.980 6.280 1.00 25.00 H new ATOM 0 HD21 LEU A 58 11.244 11.977 6.659 1.00 25.00 H new ATOM 0 HD22 LEU A 58 10.706 13.074 7.954 1.00 25.00 H new ATOM 0 HD23 LEU A 58 9.833 11.552 7.658 1.00 25.00 H new ATOM 974 N ALA A 59 5.140 13.809 7.810 1.00 25.00 N ATOM 975 CA ALA A 59 4.078 14.469 8.558 1.00 25.00 C ATOM 976 C ALA A 59 3.518 13.492 9.594 1.00 25.00 C ATOM 977 O ALA A 59 3.299 13.838 10.752 1.00 25.00 O ATOM 978 CB ALA A 59 2.975 14.919 7.600 1.00 25.00 C ATOM 0 H ALA A 59 4.945 13.685 6.817 1.00 25.00 H new ATOM 0 HA ALA A 59 4.473 15.347 9.068 1.00 25.00 H new ATOM 0 HB1 ALA A 59 2.183 15.412 8.163 1.00 25.00 H new ATOM 0 HB2 ALA A 59 3.389 15.615 6.870 1.00 25.00 H new ATOM 0 HB3 ALA A 59 2.566 14.051 7.083 1.00 25.00 H new ATOM 984 N GLN A 60 3.314 12.249 9.167 1.00 25.00 N ATOM 985 CA GLN A 60 2.802 11.210 10.067 1.00 25.00 C ATOM 986 C GLN A 60 3.825 10.937 11.167 1.00 25.00 C ATOM 987 O GLN A 60 3.470 10.761 12.321 1.00 25.00 O ATOM 988 CB GLN A 60 2.525 9.928 9.287 1.00 25.00 C ATOM 989 CG GLN A 60 1.447 10.069 8.192 1.00 25.00 C ATOM 990 CD GLN A 60 0.262 9.198 8.449 1.00 25.00 C ATOM 991 OE1 GLN A 60 -0.638 9.563 9.187 1.00 25.00 O ATOM 992 NE2 GLN A 60 0.229 8.040 7.833 1.00 25.00 N ATOM 0 H GLN A 60 3.492 11.935 8.213 1.00 25.00 H new ATOM 0 HA GLN A 60 1.871 11.555 10.516 1.00 25.00 H new ATOM 0 HB2 GLN A 60 3.453 9.590 8.825 1.00 25.00 H new ATOM 0 HB3 GLN A 60 2.216 9.151 9.986 1.00 25.00 H new ATOM 0 HG2 GLN A 60 1.125 11.109 8.134 1.00 25.00 H new ATOM 0 HG3 GLN A 60 1.879 9.814 7.224 1.00 25.00 H new ATOM 0 HE21 GLN A 60 0.998 7.765 7.222 1.00 25.00 H new ATOM 0 HE22 GLN A 60 -0.566 7.415 7.965 1.00 25.00 H new ATOM 1001 N GLN A 61 5.107 10.972 10.831 1.00 25.00 N ATOM 1002 CA GLN A 61 6.139 10.795 11.848 1.00 25.00 C ATOM 1003 C GLN A 61 6.139 11.917 12.878 1.00 25.00 C ATOM 1004 O GLN A 61 6.242 11.649 14.055 1.00 25.00 O ATOM 1005 CB GLN A 61 7.540 10.703 11.230 1.00 25.00 C ATOM 1006 CG GLN A 61 7.755 9.475 10.394 1.00 25.00 C ATOM 1007 CD GLN A 61 9.216 9.123 10.279 1.00 25.00 C ATOM 1008 OE1 GLN A 61 10.064 9.995 10.268 1.00 25.00 O ATOM 1009 NE2 GLN A 61 9.515 7.853 10.212 1.00 25.00 N ATOM 0 H GLN A 61 5.455 11.118 9.883 1.00 25.00 H new ATOM 0 HA GLN A 61 5.896 9.856 12.346 1.00 25.00 H new ATOM 0 HB2 GLN A 61 7.714 11.585 10.614 1.00 25.00 H new ATOM 0 HB3 GLN A 61 8.281 10.721 12.029 1.00 25.00 H new ATOM 0 HG2 GLN A 61 7.213 8.637 10.833 1.00 25.00 H new ATOM 0 HG3 GLN A 61 7.341 9.636 9.399 1.00 25.00 H new ATOM 0 HE21 GLN A 61 8.773 7.153 10.224 1.00 25.00 H new ATOM 0 HE22 GLN A 61 10.490 7.561 10.148 1.00 25.00 H new ATOM 1018 N GLN A 62 6.067 13.171 12.444 1.00 25.00 N ATOM 1019 CA GLN A 62 6.111 14.276 13.407 1.00 25.00 C ATOM 1020 C GLN A 62 4.827 14.325 14.229 1.00 25.00 C ATOM 1021 O GLN A 62 4.867 14.702 15.375 1.00 25.00 O ATOM 1022 CB GLN A 62 6.407 15.646 12.768 1.00 25.00 C ATOM 1023 CG GLN A 62 5.279 16.283 11.950 1.00 25.00 C ATOM 1024 CD GLN A 62 5.478 17.774 11.786 1.00 25.00 C ATOM 1025 OE1 GLN A 62 5.041 18.572 12.610 1.00 25.00 O ATOM 1026 NE2 GLN A 62 6.107 18.149 10.720 1.00 25.00 N ATOM 0 H GLN A 62 5.981 13.447 11.466 1.00 25.00 H new ATOM 0 HA GLN A 62 6.953 14.068 14.067 1.00 25.00 H new ATOM 0 HB2 GLN A 62 6.684 16.339 13.562 1.00 25.00 H new ATOM 0 HB3 GLN A 62 7.277 15.538 12.121 1.00 25.00 H new ATOM 0 HG2 GLN A 62 5.231 15.812 10.968 1.00 25.00 H new ATOM 0 HG3 GLN A 62 4.324 16.095 12.440 1.00 25.00 H new ATOM 0 HE21 GLN A 62 6.454 17.452 10.061 1.00 25.00 H new ATOM 0 HE22 GLN A 62 6.256 19.142 10.538 1.00 25.00 H new ATOM 1035 N ALA A 63 3.718 13.850 13.688 1.00 25.00 N ATOM 1036 CA ALA A 63 2.448 13.786 14.433 1.00 25.00 C ATOM 1037 C ALA A 63 2.551 12.764 15.599 1.00 25.00 C ATOM 1038 O ALA A 63 1.998 12.949 16.679 1.00 25.00 O ATOM 1039 CB ALA A 63 1.322 13.407 13.464 1.00 25.00 C ATOM 0 H ALA A 63 3.660 13.499 12.732 1.00 25.00 H new ATOM 0 HA ALA A 63 2.229 14.760 14.871 1.00 25.00 H new ATOM 0 HB1 ALA A 63 0.377 13.357 14.006 1.00 25.00 H new ATOM 0 HB2 ALA A 63 1.250 14.159 12.678 1.00 25.00 H new ATOM 0 HB3 ALA A 63 1.537 12.436 13.019 1.00 25.00 H new ATOM 1045 N ALA A 64 3.305 11.692 15.376 1.00 25.00 N ATOM 1046 CA ALA A 64 3.536 10.664 16.393 1.00 25.00 C ATOM 1047 C ALA A 64 4.651 11.042 17.363 1.00 25.00 C ATOM 1048 O ALA A 64 4.624 10.659 18.520 1.00 25.00 O ATOM 1049 CB ALA A 64 3.885 9.341 15.717 1.00 25.00 C ATOM 0 H ALA A 64 3.773 11.509 14.489 1.00 25.00 H new ATOM 0 HA ALA A 64 2.615 10.569 16.969 1.00 25.00 H new ATOM 0 HB1 ALA A 64 4.056 8.578 16.477 1.00 25.00 H new ATOM 0 HB2 ALA A 64 3.061 9.033 15.073 1.00 25.00 H new ATOM 0 HB3 ALA A 64 4.787 9.465 15.118 1.00 25.00 H new ATOM 1055 N LEU A 65 5.640 11.796 16.896 1.00 25.00 N ATOM 1056 CA LEU A 65 6.759 12.226 17.744 1.00 25.00 C ATOM 1057 C LEU A 65 6.316 13.399 18.615 1.00 25.00 C ATOM 1058 O LEU A 65 6.782 13.563 19.745 1.00 25.00 O ATOM 1059 CB LEU A 65 7.973 12.637 16.887 1.00 25.00 C ATOM 1060 CG LEU A 65 8.704 11.496 16.167 1.00 25.00 C ATOM 1061 CD1 LEU A 65 9.639 12.036 15.093 1.00 25.00 C ATOM 1062 CD2 LEU A 65 9.503 10.668 17.151 1.00 25.00 C ATOM 0 H LEU A 65 5.694 12.126 15.932 1.00 25.00 H new ATOM 0 HA LEU A 65 7.057 11.391 18.378 1.00 25.00 H new ATOM 0 HB2 LEU A 65 7.638 13.357 16.140 1.00 25.00 H new ATOM 0 HB3 LEU A 65 8.688 13.153 17.528 1.00 25.00 H new ATOM 0 HG LEU A 65 7.947 10.869 15.696 1.00 25.00 H new ATOM 0 HD11 LEU A 65 10.144 11.206 14.599 1.00 25.00 H new ATOM 0 HD12 LEU A 65 9.063 12.599 14.359 1.00 25.00 H new ATOM 0 HD13 LEU A 65 10.380 12.690 15.552 1.00 25.00 H new ATOM 0 HD21 LEU A 65 10.014 9.864 16.620 1.00 25.00 H new ATOM 0 HD22 LEU A 65 10.239 11.301 17.646 1.00 25.00 H new ATOM 0 HD23 LEU A 65 8.832 10.241 17.897 1.00 25.00 H new ATOM 1074 N GLN A 66 5.414 14.214 18.047 1.00 25.00 N ATOM 1075 CA GLN A 66 4.779 15.379 18.682 1.00 25.00 C ATOM 1076 C GLN A 66 5.627 16.148 19.685 1.00 25.00 C ATOM 1077 O GLN A 66 5.238 16.435 20.817 1.00 25.00 O ATOM 1078 CB GLN A 66 3.400 14.991 19.244 1.00 25.00 C ATOM 1079 CG GLN A 66 3.364 13.730 20.112 1.00 25.00 C ATOM 1080 CD GLN A 66 1.980 13.481 20.671 1.00 25.00 C ATOM 1081 OE1 GLN A 66 0.982 13.928 20.136 1.00 25.00 O ATOM 1082 NE2 GLN A 66 1.918 12.748 21.746 1.00 25.00 N ATOM 0 H GLN A 66 5.093 14.072 17.089 1.00 25.00 H new ATOM 0 HA GLN A 66 4.654 16.108 17.881 1.00 25.00 H new ATOM 0 HB2 GLN A 66 3.021 15.826 19.834 1.00 25.00 H new ATOM 0 HB3 GLN A 66 2.714 14.854 18.408 1.00 25.00 H new ATOM 0 HG2 GLN A 66 3.679 12.870 19.520 1.00 25.00 H new ATOM 0 HG3 GLN A 66 4.076 13.831 20.931 1.00 25.00 H new ATOM 0 HE21 GLN A 66 2.774 12.389 22.169 1.00 25.00 H new ATOM 0 HE22 GLN A 66 1.013 12.533 22.165 1.00 25.00 H new ATOM 1091 N LYS A 67 6.833 16.471 19.237 1.00 25.00 N ATOM 1092 CA LYS A 67 7.849 17.165 20.065 1.00 25.00 C ATOM 1093 C LYS A 67 7.638 18.660 20.266 1.00 25.00 C ATOM 1094 O LYS A 67 8.607 19.429 20.186 1.00 25.00 O ATOM 1095 CB LYS A 67 9.248 16.956 19.452 1.00 25.00 C ATOM 1096 CG LYS A 67 9.625 15.481 19.171 1.00 25.00 C ATOM 1097 CD LYS A 67 9.830 14.624 20.433 1.00 25.00 C ATOM 1098 CE LYS A 67 11.047 15.058 21.299 1.00 25.00 C ATOM 1099 NZ LYS A 67 12.359 14.774 20.617 1.00 25.00 N ATOM 0 H LYS A 67 7.149 16.265 18.289 1.00 25.00 H new ATOM 0 HA LYS A 67 7.749 16.712 21.052 1.00 25.00 H new ATOM 0 HB2 LYS A 67 9.306 17.515 18.518 1.00 25.00 H new ATOM 0 HB3 LYS A 67 9.991 17.383 20.125 1.00 25.00 H new ATOM 0 HG2 LYS A 67 8.842 15.028 18.563 1.00 25.00 H new ATOM 0 HG3 LYS A 67 10.540 15.459 18.580 1.00 25.00 H new ATOM 0 HD2 LYS A 67 8.928 14.671 21.043 1.00 25.00 H new ATOM 0 HD3 LYS A 67 9.960 13.583 20.136 1.00 25.00 H new ATOM 0 HE2 LYS A 67 10.975 16.124 21.516 1.00 25.00 H new ATOM 0 HE3 LYS A 67 11.016 14.535 22.255 1.00 25.00 H new ATOM 0 HZ1 LYS A 67 13.142 15.079 21.230 1.00 25.00 H new ATOM 0 HZ2 LYS A 67 12.441 13.754 20.433 1.00 25.00 H new ATOM 0 HZ3 LYS A 67 12.402 15.293 19.717 1.00 25.00 H new ATOM 1113 N GLN A 68 6.399 19.060 20.539 1.00 25.00 N ATOM 1114 CA GLN A 68 6.058 20.469 20.859 1.00 25.00 C ATOM 1115 C GLN A 68 6.668 21.484 19.900 1.00 25.00 C ATOM 1116 O GLN A 68 7.482 22.342 20.263 1.00 25.00 O ATOM 1117 CB GLN A 68 6.462 20.804 22.324 1.00 25.00 C ATOM 1118 CG GLN A 68 5.752 19.949 23.386 1.00 25.00 C ATOM 1119 CD GLN A 68 6.183 20.306 24.784 1.00 25.00 C ATOM 1120 OE1 GLN A 68 7.360 20.233 25.128 1.00 25.00 O ATOM 1121 NE2 GLN A 68 5.240 20.739 25.582 1.00 25.00 N ATOM 0 H GLN A 68 5.597 18.430 20.548 1.00 25.00 H new ATOM 0 HA GLN A 68 4.977 20.551 20.742 1.00 25.00 H new ATOM 0 HB2 GLN A 68 7.539 20.674 22.430 1.00 25.00 H new ATOM 0 HB3 GLN A 68 6.247 21.855 22.517 1.00 25.00 H new ATOM 0 HG2 GLN A 68 4.674 20.081 23.295 1.00 25.00 H new ATOM 0 HG3 GLN A 68 5.961 18.895 23.201 1.00 25.00 H new ATOM 0 HE21 GLN A 68 4.275 20.783 25.254 1.00 25.00 H new ATOM 0 HE22 GLN A 68 5.470 21.032 26.531 1.00 25.00 H new ATOM 1130 N GLN A 69 6.240 21.440 18.621 1.00 25.00 N ATOM 1131 CA GLN A 69 6.671 22.430 17.603 1.00 25.00 C ATOM 1132 C GLN A 69 6.211 23.866 17.948 1.00 25.00 C ATOM 1133 O GLN A 69 5.072 24.166 18.291 1.00 25.00 O ATOM 1134 CB GLN A 69 6.229 22.042 16.162 1.00 25.00 C ATOM 1135 CG GLN A 69 4.713 22.181 15.910 1.00 25.00 C ATOM 1136 CD GLN A 69 3.891 21.309 16.822 1.00 25.00 C ATOM 1137 OE1 GLN A 69 4.147 20.179 17.112 1.00 25.00 O ATOM 1138 NE2 GLN A 69 2.867 21.913 17.398 1.00 25.00 N ATOM 1139 OXT GLN A 69 7.164 24.777 17.848 1.00 25.00 O ATOM 0 H GLN A 69 5.597 20.732 18.266 1.00 25.00 H new ATOM 0 HA GLN A 69 7.761 22.415 17.624 1.00 25.00 H new ATOM 0 HB2 GLN A 69 6.764 22.668 15.448 1.00 25.00 H new ATOM 0 HB3 GLN A 69 6.526 21.011 15.967 1.00 25.00 H new ATOM 0 HG2 GLN A 69 4.420 23.222 16.047 1.00 25.00 H new ATOM 0 HG3 GLN A 69 4.496 21.923 14.874 1.00 25.00 H new ATOM 0 HE21 GLN A 69 2.642 22.878 17.156 1.00 25.00 H new ATOM 0 HE22 GLN A 69 2.301 21.414 18.085 1.00 25.00 H new TER 1149 GLN A 69