USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=10 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 38:sc= 0.542 USER MOD Set 1.2: A 50 MET CE :methyl -170:sc= -0.456 (180deg=-0.554) USER MOD Set 2.1: A 22 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 12 ASN : amide:sc= 0.876 K(o=-1.2,f=-2.1) USER MOD Set 3.2: A 42 GLN : amide:sc= -2.07 X(o=-1.2,f=-1.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) 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=-0.00014) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 8 MET CE :methyl -166:sc= -0.0075 (180deg=-0.197) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.279 X(o=-0.28,f=0) USER MOD Single : A 15 THR OG1 : rot -66:sc= 0.945 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 21 GLN : amide:sc=-0.00786 X(o=-0.0079,f=0) USER MOD Single : A 25 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 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.64) USER MOD Single : A 34 GLN : amide:sc= 0.733 K(o=0.73,f=-0.58) USER MOD Single : A 35 GLN : amide:sc= -0.0265 X(o=-0.026,f=-0.026) USER MOD Single : A 40 GLN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.0582 K(o=-0.058,f=-1.5) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc=-0.00963 X(o=-0.0096,f=-0.4) 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) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.48) 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=-0.11) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0664 X(o=-0.066,f=-0.066) USER MOD Single : A 69 GLN : amide:sc= -0.0267 X(o=-0.027,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.147 -5.277 -0.276 1.00 25.00 N ATOM 2 CA MET A 1 5.376 -5.783 -0.931 1.00 25.00 C ATOM 3 C MET A 1 5.355 -5.556 -2.413 1.00 25.00 C ATOM 4 O MET A 1 4.528 -6.042 -3.133 1.00 25.00 O ATOM 5 CB MET A 1 5.537 -7.250 -0.594 1.00 25.00 C ATOM 6 CG MET A 1 6.914 -7.785 -1.031 1.00 25.00 C ATOM 7 SD MET A 1 7.143 -9.556 -0.601 1.00 25.00 S ATOM 8 CE MET A 1 7.390 -9.510 1.204 1.00 25.00 C ATOM 0 H1 MET A 1 4.201 -5.453 0.748 1.00 25.00 H new ATOM 0 H2 MET A 1 4.058 -4.255 -0.447 1.00 25.00 H new ATOM 0 H3 MET A 1 3.318 -5.767 -0.668 1.00 25.00 H new ATOM 0 HA MET A 1 6.235 -5.228 -0.554 1.00 25.00 H new ATOM 0 HB2 MET A 1 5.415 -7.393 0.480 1.00 25.00 H new ATOM 0 HB3 MET A 1 4.751 -7.825 -1.084 1.00 25.00 H new ATOM 0 HG2 MET A 1 7.026 -7.658 -2.108 1.00 25.00 H new ATOM 0 HG3 MET A 1 7.698 -7.194 -0.557 1.00 25.00 H new ATOM 0 HE1 MET A 1 7.539 -10.523 1.577 1.00 25.00 H new ATOM 0 HE2 MET A 1 8.267 -8.906 1.436 1.00 25.00 H new ATOM 0 HE3 MET A 1 6.512 -9.073 1.680 1.00 25.00 H new ATOM 19 N GLN A 2 6.247 -4.645 -2.871 1.00 25.00 N ATOM 20 CA GLN A 2 6.435 -4.264 -4.280 1.00 25.00 C ATOM 21 C GLN A 2 5.154 -3.739 -4.947 1.00 25.00 C ATOM 22 O GLN A 2 5.096 -3.615 -6.172 1.00 25.00 O ATOM 23 CB GLN A 2 7.007 -5.439 -5.085 1.00 25.00 C ATOM 24 CG GLN A 2 8.393 -5.871 -4.619 1.00 25.00 C ATOM 25 CD GLN A 2 8.958 -7.023 -5.447 1.00 25.00 C ATOM 26 OE1 GLN A 2 8.374 -8.076 -5.510 1.00 25.00 O ATOM 27 NE2 GLN A 2 10.075 -6.800 -6.091 1.00 25.00 N ATOM 0 H GLN A 2 6.874 -4.142 -2.243 1.00 25.00 H new ATOM 0 HA GLN A 2 7.147 -3.438 -4.279 1.00 25.00 H new ATOM 0 HB2 GLN A 2 6.326 -6.287 -5.011 1.00 25.00 H new ATOM 0 HB3 GLN A 2 7.056 -5.160 -6.138 1.00 25.00 H new ATOM 0 HG2 GLN A 2 9.073 -5.021 -4.675 1.00 25.00 H new ATOM 0 HG3 GLN A 2 8.343 -6.171 -3.572 1.00 25.00 H new ATOM 0 HE21 GLN A 2 10.538 -5.895 -6.011 1.00 25.00 H new ATOM 0 HE22 GLN A 2 10.483 -7.532 -6.673 1.00 25.00 H new ATOM 36 N GLN A 3 4.159 -3.340 -4.153 1.00 25.00 N ATOM 37 CA GLN A 3 2.873 -2.828 -4.676 1.00 25.00 C ATOM 38 C GLN A 3 3.023 -1.475 -5.365 1.00 25.00 C ATOM 39 O GLN A 3 2.094 -0.946 -5.971 1.00 25.00 O ATOM 40 CB GLN A 3 1.859 -2.727 -3.538 1.00 25.00 C ATOM 41 CG GLN A 3 1.615 -4.051 -2.807 1.00 25.00 C ATOM 42 CD GLN A 3 0.528 -3.937 -1.730 1.00 25.00 C ATOM 43 OE1 GLN A 3 -0.489 -4.614 -1.793 1.00 25.00 O ATOM 44 NE2 GLN A 3 0.746 -3.089 -0.746 1.00 25.00 N ATOM 0 H GLN A 3 4.212 -3.359 -3.135 1.00 25.00 H new ATOM 0 HA GLN A 3 2.520 -3.534 -5.428 1.00 25.00 H new ATOM 0 HB2 GLN A 3 2.206 -1.985 -2.819 1.00 25.00 H new ATOM 0 HB3 GLN A 3 0.912 -2.364 -3.939 1.00 25.00 H new ATOM 0 HG2 GLN A 3 1.326 -4.814 -3.530 1.00 25.00 H new ATOM 0 HG3 GLN A 3 2.545 -4.384 -2.346 1.00 25.00 H new ATOM 0 HE21 GLN A 3 1.606 -2.541 -0.726 1.00 25.00 H new ATOM 0 HE22 GLN A 3 0.055 -2.981 -0.004 1.00 25.00 H new ATOM 53 N LYS A 4 4.246 -0.965 -5.362 1.00 25.00 N ATOM 54 CA LYS A 4 4.591 0.248 -6.088 1.00 25.00 C ATOM 55 C LYS A 4 4.238 0.129 -7.571 1.00 25.00 C ATOM 56 O LYS A 4 3.832 1.116 -8.196 1.00 25.00 O ATOM 57 CB LYS A 4 6.092 0.502 -5.950 1.00 25.00 C ATOM 58 CG LYS A 4 6.491 1.103 -4.596 1.00 25.00 C ATOM 59 CD LYS A 4 7.900 1.711 -4.632 1.00 25.00 C ATOM 60 CE LYS A 4 9.022 0.670 -4.562 1.00 25.00 C ATOM 61 NZ LYS A 4 9.306 0.222 -3.151 1.00 25.00 N ATOM 0 H LYS A 4 5.028 -1.381 -4.856 1.00 25.00 H new ATOM 0 HA LYS A 4 4.021 1.075 -5.666 1.00 25.00 H new ATOM 0 HB2 LYS A 4 6.626 -0.438 -6.092 1.00 25.00 H new ATOM 0 HB3 LYS A 4 6.413 1.175 -6.745 1.00 25.00 H new ATOM 0 HG2 LYS A 4 5.771 1.871 -4.314 1.00 25.00 H new ATOM 0 HG3 LYS A 4 6.449 0.330 -3.829 1.00 25.00 H new ATOM 0 HD2 LYS A 4 8.012 2.292 -5.547 1.00 25.00 H new ATOM 0 HD3 LYS A 4 8.008 2.405 -3.799 1.00 25.00 H new ATOM 0 HE2 LYS A 4 8.749 -0.195 -5.166 1.00 25.00 H new ATOM 0 HE3 LYS A 4 9.930 1.089 -4.997 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 10.072 -0.481 -3.158 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 9.593 1.041 -2.578 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 8.449 -0.203 -2.743 1.00 25.00 H new ATOM 75 N GLN A 5 4.383 -1.070 -8.133 1.00 25.00 N ATOM 76 CA GLN A 5 4.095 -1.282 -9.562 1.00 25.00 C ATOM 77 C GLN A 5 2.600 -1.193 -9.888 1.00 25.00 C ATOM 78 O GLN A 5 2.221 -0.890 -11.013 1.00 25.00 O ATOM 79 CB GLN A 5 4.679 -2.629 -10.013 1.00 25.00 C ATOM 80 CG GLN A 5 3.992 -3.857 -9.399 1.00 25.00 C ATOM 81 CD GLN A 5 4.765 -5.132 -9.663 1.00 25.00 C ATOM 82 OE1 GLN A 5 5.138 -5.409 -10.775 1.00 25.00 O ATOM 83 NE2 GLN A 5 4.980 -5.914 -8.634 1.00 25.00 N ATOM 0 H GLN A 5 4.694 -1.903 -7.634 1.00 25.00 H new ATOM 0 HA GLN A 5 4.573 -0.475 -10.117 1.00 25.00 H new ATOM 0 HB2 GLN A 5 4.611 -2.695 -11.099 1.00 25.00 H new ATOM 0 HB3 GLN A 5 5.738 -2.655 -9.758 1.00 25.00 H new ATOM 0 HG2 GLN A 5 3.887 -3.713 -8.324 1.00 25.00 H new ATOM 0 HG3 GLN A 5 2.986 -3.952 -9.808 1.00 25.00 H new ATOM 0 HE21 GLN A 5 4.647 -5.642 -7.709 1.00 25.00 H new ATOM 0 HE22 GLN A 5 5.480 -6.794 -8.758 1.00 25.00 H new ATOM 92 N GLN A 6 1.749 -1.433 -8.901 1.00 25.00 N ATOM 93 CA GLN A 6 0.298 -1.357 -9.117 1.00 25.00 C ATOM 94 C GLN A 6 -0.092 0.082 -9.364 1.00 25.00 C ATOM 95 O GLN A 6 -0.964 0.358 -10.173 1.00 25.00 O ATOM 96 CB GLN A 6 -0.447 -1.886 -7.905 1.00 25.00 C ATOM 97 CG GLN A 6 -0.204 -3.377 -7.661 1.00 25.00 C ATOM 98 CD GLN A 6 -0.973 -3.907 -6.471 1.00 25.00 C ATOM 99 OE1 GLN A 6 -0.998 -3.290 -5.429 1.00 25.00 O ATOM 100 NE2 GLN A 6 -1.592 -5.047 -6.618 1.00 25.00 N ATOM 0 H GLN A 6 2.026 -1.680 -7.951 1.00 25.00 H new ATOM 0 HA GLN A 6 0.034 -1.967 -9.981 1.00 25.00 H new ATOM 0 HB2 GLN A 6 -0.141 -1.324 -7.023 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -1.515 -1.714 -8.038 1.00 25.00 H new ATOM 0 HG2 GLN A 6 -0.489 -3.938 -8.551 1.00 25.00 H new ATOM 0 HG3 GLN A 6 0.861 -3.546 -7.505 1.00 25.00 H new ATOM 0 HE21 GLN A 6 -1.549 -5.539 -7.510 1.00 25.00 H new ATOM 0 HE22 GLN A 6 -2.118 -5.445 -5.841 1.00 25.00 H new ATOM 109 N ILE A 7 0.581 1.000 -8.685 1.00 25.00 N ATOM 110 CA ILE A 7 0.288 2.416 -8.844 1.00 25.00 C ATOM 111 C ILE A 7 0.642 2.824 -10.268 1.00 25.00 C ATOM 112 O ILE A 7 -0.100 3.549 -10.909 1.00 25.00 O ATOM 113 CB ILE A 7 1.097 3.267 -7.834 1.00 25.00 C ATOM 114 CG1 ILE A 7 0.714 2.886 -6.397 1.00 25.00 C ATOM 115 CG2 ILE A 7 0.844 4.794 -8.063 1.00 25.00 C ATOM 116 CD1 ILE A 7 1.825 3.119 -5.395 1.00 25.00 C ATOM 0 H ILE A 7 1.329 0.791 -8.023 1.00 25.00 H new ATOM 0 HA ILE A 7 -0.771 2.589 -8.652 1.00 25.00 H new ATOM 0 HB ILE A 7 2.157 3.065 -7.990 1.00 25.00 H new ATOM 0 HG12 ILE A 7 -0.161 3.462 -6.098 1.00 25.00 H new ATOM 0 HG13 ILE A 7 0.427 1.835 -6.372 1.00 25.00 H new ATOM 0 HG21 ILE A 7 1.423 5.371 -7.342 1.00 25.00 H new ATOM 0 HG22 ILE A 7 1.149 5.066 -9.074 1.00 25.00 H new ATOM 0 HG23 ILE A 7 -0.216 5.011 -7.933 1.00 25.00 H new ATOM 0 HD11 ILE A 7 1.485 2.828 -4.401 1.00 25.00 H new ATOM 0 HD12 ILE A 7 2.694 2.522 -5.670 1.00 25.00 H new ATOM 0 HD13 ILE A 7 2.096 4.175 -5.391 1.00 25.00 H new ATOM 128 N MET A 8 1.742 2.305 -10.791 1.00 25.00 N ATOM 129 CA MET A 8 2.133 2.608 -12.171 1.00 25.00 C ATOM 130 C MET A 8 1.069 2.109 -13.155 1.00 25.00 C ATOM 131 O MET A 8 0.669 2.828 -14.062 1.00 25.00 O ATOM 132 CB MET A 8 3.477 1.963 -12.495 1.00 25.00 C ATOM 133 CG MET A 8 4.657 2.626 -11.796 1.00 25.00 C ATOM 134 SD MET A 8 4.861 4.309 -12.391 1.00 25.00 S ATOM 135 CE MET A 8 5.534 4.061 -14.049 1.00 25.00 C ATOM 0 H MET A 8 2.376 1.680 -10.294 1.00 25.00 H new ATOM 0 HA MET A 8 2.224 3.690 -12.270 1.00 25.00 H new ATOM 0 HB2 MET A 8 3.443 0.911 -12.213 1.00 25.00 H new ATOM 0 HB3 MET A 8 3.637 1.999 -13.573 1.00 25.00 H new ATOM 0 HG2 MET A 8 4.496 2.630 -10.718 1.00 25.00 H new ATOM 0 HG3 MET A 8 5.567 2.054 -11.980 1.00 25.00 H new ATOM 0 HE1 MET A 8 5.933 5.003 -14.424 1.00 25.00 H new ATOM 0 HE2 MET A 8 6.331 3.319 -14.011 1.00 25.00 H new ATOM 0 HE3 MET A 8 4.744 3.711 -14.714 1.00 25.00 H new ATOM 145 N ALA A 9 0.576 0.896 -12.943 1.00 25.00 N ATOM 146 CA ALA A 9 -0.461 0.338 -13.806 1.00 25.00 C ATOM 147 C ALA A 9 -1.767 1.146 -13.700 1.00 25.00 C ATOM 148 O ALA A 9 -2.478 1.325 -14.688 1.00 25.00 O ATOM 149 CB ALA A 9 -0.714 -1.121 -13.432 1.00 25.00 C ATOM 0 H ALA A 9 0.874 0.281 -12.186 1.00 25.00 H new ATOM 0 HA ALA A 9 -0.115 0.393 -14.838 1.00 25.00 H new ATOM 0 HB1 ALA A 9 -1.489 -1.533 -14.079 1.00 25.00 H new ATOM 0 HB2 ALA A 9 0.205 -1.693 -13.557 1.00 25.00 H new ATOM 0 HB3 ALA A 9 -1.040 -1.179 -12.393 1.00 25.00 H new ATOM 155 N ALA A 10 -2.059 1.646 -12.509 1.00 25.00 N ATOM 156 CA ALA A 10 -3.246 2.454 -12.302 1.00 25.00 C ATOM 157 C ALA A 10 -3.099 3.803 -13.014 1.00 25.00 C ATOM 158 O ALA A 10 -4.048 4.315 -13.594 1.00 25.00 O ATOM 159 CB ALA A 10 -3.481 2.645 -10.768 1.00 25.00 C ATOM 0 H ALA A 10 -1.490 1.506 -11.674 1.00 25.00 H new ATOM 0 HA ALA A 10 -4.113 1.948 -12.726 1.00 25.00 H new ATOM 0 HB1 ALA A 10 -4.372 3.252 -10.609 1.00 25.00 H new ATOM 0 HB2 ALA A 10 -3.616 1.672 -10.297 1.00 25.00 H new ATOM 0 HB3 ALA A 10 -2.619 3.145 -10.327 1.00 25.00 H new ATOM 165 N LEU A 11 -1.914 4.397 -12.944 1.00 25.00 N ATOM 166 CA LEU A 11 -1.688 5.699 -13.562 1.00 25.00 C ATOM 167 C LEU A 11 -1.808 5.612 -15.072 1.00 25.00 C ATOM 168 O LEU A 11 -2.297 6.532 -15.700 1.00 25.00 O ATOM 169 CB LEU A 11 -0.308 6.274 -13.194 1.00 25.00 C ATOM 170 CG LEU A 11 -0.142 6.801 -11.760 1.00 25.00 C ATOM 171 CD1 LEU A 11 1.301 7.302 -11.583 1.00 25.00 C ATOM 172 CD2 LEU A 11 -1.117 7.939 -11.404 1.00 25.00 C ATOM 0 H LEU A 11 -1.101 4.003 -12.470 1.00 25.00 H new ATOM 0 HA LEU A 11 -2.457 6.368 -13.176 1.00 25.00 H new ATOM 0 HB2 LEU A 11 0.440 5.498 -13.361 1.00 25.00 H new ATOM 0 HB3 LEU A 11 -0.083 7.087 -13.884 1.00 25.00 H new ATOM 0 HG LEU A 11 -0.368 5.974 -11.087 1.00 25.00 H new ATOM 0 HD11 LEU A 11 1.433 7.679 -10.569 1.00 25.00 H new ATOM 0 HD12 LEU A 11 1.995 6.480 -11.758 1.00 25.00 H new ATOM 0 HD13 LEU A 11 1.498 8.102 -12.296 1.00 25.00 H new ATOM 0 HD21 LEU A 11 -0.942 8.260 -10.377 1.00 25.00 H new ATOM 0 HD22 LEU A 11 -0.958 8.779 -12.080 1.00 25.00 H new ATOM 0 HD23 LEU A 11 -2.143 7.584 -11.503 1.00 25.00 H new ATOM 184 N ASN A 12 -1.407 4.484 -15.637 1.00 25.00 N ATOM 185 CA ASN A 12 -1.524 4.273 -17.071 1.00 25.00 C ATOM 186 C ASN A 12 -2.980 4.366 -17.515 1.00 25.00 C ATOM 187 O ASN A 12 -3.288 4.912 -18.556 1.00 25.00 O ATOM 188 CB ASN A 12 -0.940 2.916 -17.490 1.00 25.00 C ATOM 189 CG ASN A 12 0.547 2.990 -17.809 1.00 25.00 C ATOM 190 OD1 ASN A 12 0.938 2.850 -18.951 1.00 25.00 O ATOM 191 ND2 ASN A 12 1.373 3.165 -16.814 1.00 25.00 N ATOM 0 H ASN A 12 -0.998 3.702 -15.125 1.00 25.00 H new ATOM 0 HA ASN A 12 -0.950 5.060 -17.561 1.00 25.00 H new ATOM 0 HB2 ASN A 12 -1.100 2.193 -16.690 1.00 25.00 H new ATOM 0 HB3 ASN A 12 -1.477 2.548 -18.364 1.00 25.00 H new ATOM 0 HD21 ASN A 12 2.379 3.187 -16.984 1.00 25.00 H new ATOM 0 HD22 ASN A 12 1.013 3.280 -15.867 1.00 25.00 H new ATOM 198 N SER A 13 -3.893 3.858 -16.698 1.00 25.00 N ATOM 199 CA SER A 13 -5.320 3.984 -16.997 1.00 25.00 C ATOM 200 C SER A 13 -5.848 5.397 -16.729 1.00 25.00 C ATOM 201 O SER A 13 -6.634 5.916 -17.505 1.00 25.00 O ATOM 202 CB SER A 13 -6.122 2.998 -16.138 1.00 25.00 C ATOM 203 OG SER A 13 -7.490 3.074 -16.454 1.00 25.00 O ATOM 0 H SER A 13 -3.679 3.361 -15.834 1.00 25.00 H new ATOM 0 HA SER A 13 -5.442 3.765 -18.058 1.00 25.00 H new ATOM 0 HB2 SER A 13 -5.760 1.983 -16.303 1.00 25.00 H new ATOM 0 HB3 SER A 13 -5.973 3.221 -15.082 1.00 25.00 H new ATOM 0 HG SER A 13 -7.990 2.439 -15.900 1.00 25.00 H new ATOM 209 N GLN A 14 -5.439 5.999 -15.621 1.00 25.00 N ATOM 210 CA GLN A 14 -5.952 7.315 -15.216 1.00 25.00 C ATOM 211 C GLN A 14 -5.595 8.450 -16.171 1.00 25.00 C ATOM 212 O GLN A 14 -6.406 9.333 -16.438 1.00 25.00 O ATOM 213 CB GLN A 14 -5.407 7.672 -13.838 1.00 25.00 C ATOM 214 CG GLN A 14 -5.991 6.841 -12.711 1.00 25.00 C ATOM 215 CD GLN A 14 -5.234 7.035 -11.407 1.00 25.00 C ATOM 216 OE1 GLN A 14 -5.203 8.126 -10.845 1.00 25.00 O ATOM 217 NE2 GLN A 14 -4.613 5.982 -10.924 1.00 25.00 N ATOM 0 H GLN A 14 -4.752 5.602 -14.980 1.00 25.00 H new ATOM 0 HA GLN A 14 -7.038 7.220 -15.219 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -4.324 7.549 -13.843 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -5.607 8.725 -13.641 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -7.037 7.111 -12.566 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -5.969 5.787 -12.989 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -4.660 5.091 -11.418 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -4.084 6.056 -10.055 1.00 25.00 H new ATOM 226 N THR A 15 -4.365 8.430 -16.657 1.00 25.00 N ATOM 227 CA THR A 15 -3.836 9.538 -17.477 1.00 25.00 C ATOM 228 C THR A 15 -3.824 9.191 -18.963 1.00 25.00 C ATOM 229 O THR A 15 -3.320 9.956 -19.787 1.00 25.00 O ATOM 230 CB THR A 15 -2.408 9.908 -17.043 1.00 25.00 C ATOM 231 OG1 THR A 15 -1.538 8.794 -17.213 1.00 25.00 O ATOM 232 CG2 THR A 15 -2.376 10.330 -15.569 1.00 25.00 C ATOM 0 H THR A 15 -3.706 7.667 -16.506 1.00 25.00 H new ATOM 0 HA THR A 15 -4.502 10.387 -17.320 1.00 25.00 H new ATOM 0 HB THR A 15 -2.078 10.740 -17.665 1.00 25.00 H new ATOM 0 HG1 THR A 15 -1.796 8.080 -16.593 1.00 25.00 H new ATOM 0 HG21 THR A 15 -1.355 10.587 -15.286 1.00 25.00 H new ATOM 0 HG22 THR A 15 -3.021 11.196 -15.424 1.00 25.00 H new ATOM 0 HG23 THR A 15 -2.729 9.507 -14.947 1.00 25.00 H new ATOM 240 N ALA A 16 -4.395 8.039 -19.300 1.00 25.00 N ATOM 241 CA ALA A 16 -4.373 7.501 -20.664 1.00 25.00 C ATOM 242 C ALA A 16 -4.642 8.538 -21.769 1.00 25.00 C ATOM 243 O ALA A 16 -3.744 8.867 -22.561 1.00 25.00 O ATOM 244 CB ALA A 16 -5.380 6.345 -20.779 1.00 25.00 C ATOM 0 H ALA A 16 -4.890 7.446 -18.634 1.00 25.00 H new ATOM 0 HA ALA A 16 -3.354 7.153 -20.830 1.00 25.00 H new ATOM 0 HB1 ALA A 16 -5.362 5.947 -21.793 1.00 25.00 H new ATOM 0 HB2 ALA A 16 -5.112 5.557 -20.075 1.00 25.00 H new ATOM 0 HB3 ALA A 16 -6.381 6.710 -20.550 1.00 25.00 H new ATOM 250 N VAL A 17 -5.866 9.042 -21.852 1.00 25.00 N ATOM 251 CA VAL A 17 -6.219 9.944 -22.945 1.00 25.00 C ATOM 252 C VAL A 17 -5.616 11.333 -22.745 1.00 25.00 C ATOM 253 O VAL A 17 -5.268 12.007 -23.709 1.00 25.00 O ATOM 254 CB VAL A 17 -7.772 10.010 -23.141 1.00 25.00 C ATOM 255 CG1 VAL A 17 -8.482 10.782 -22.001 1.00 25.00 C ATOM 256 CG2 VAL A 17 -8.099 10.614 -24.529 1.00 25.00 C ATOM 0 H VAL A 17 -6.619 8.848 -21.192 1.00 25.00 H new ATOM 0 HA VAL A 17 -5.788 9.539 -23.861 1.00 25.00 H new ATOM 0 HB VAL A 17 -8.159 8.992 -23.099 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -9.556 10.798 -22.186 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -8.285 10.288 -21.049 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -8.105 11.804 -21.964 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -9.180 10.658 -24.661 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -7.684 11.620 -24.595 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -7.663 9.990 -25.309 1.00 25.00 H new ATOM 266 N GLN A 18 -5.402 11.713 -21.496 1.00 25.00 N ATOM 267 CA GLN A 18 -4.823 13.013 -21.166 1.00 25.00 C ATOM 268 C GLN A 18 -3.444 13.148 -21.814 1.00 25.00 C ATOM 269 O GLN A 18 -3.148 14.154 -22.448 1.00 25.00 O ATOM 270 CB GLN A 18 -4.718 13.160 -19.636 1.00 25.00 C ATOM 271 CG GLN A 18 -4.312 14.571 -19.164 1.00 25.00 C ATOM 272 CD GLN A 18 -4.254 14.675 -17.654 1.00 25.00 C ATOM 273 OE1 GLN A 18 -3.587 13.917 -16.992 1.00 25.00 O ATOM 274 NE2 GLN A 18 -4.977 15.601 -17.104 1.00 25.00 N ATOM 0 H GLN A 18 -5.622 11.136 -20.684 1.00 25.00 H new ATOM 0 HA GLN A 18 -5.466 13.805 -21.551 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -5.679 12.902 -19.190 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -3.990 12.440 -19.262 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -3.338 14.826 -19.582 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -5.025 15.300 -19.550 1.00 25.00 H new ATOM 0 HE21 GLN A 18 -5.531 16.228 -17.686 1.00 25.00 H new ATOM 0 HE22 GLN A 18 -4.991 15.702 -16.089 1.00 25.00 H new ATOM 283 N PHE A 19 -2.608 12.132 -21.658 1.00 25.00 N ATOM 284 CA PHE A 19 -1.282 12.163 -22.242 1.00 25.00 C ATOM 285 C PHE A 19 -1.329 11.793 -23.734 1.00 25.00 C ATOM 286 O PHE A 19 -0.525 12.277 -24.515 1.00 25.00 O ATOM 287 CB PHE A 19 -0.355 11.187 -21.513 1.00 25.00 C ATOM 288 CG PHE A 19 0.010 11.600 -20.082 1.00 25.00 C ATOM 289 CD1 PHE A 19 -0.106 12.946 -19.623 1.00 25.00 C ATOM 290 CD2 PHE A 19 0.478 10.631 -19.185 1.00 25.00 C ATOM 291 CE1 PHE A 19 0.217 13.294 -18.281 1.00 25.00 C ATOM 292 CE2 PHE A 19 0.830 10.979 -17.848 1.00 25.00 C ATOM 293 CZ PHE A 19 0.684 12.314 -17.397 1.00 25.00 C ATOM 0 H PHE A 19 -2.825 11.283 -21.135 1.00 25.00 H new ATOM 0 HA PHE A 19 -0.898 13.178 -22.139 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -0.832 10.207 -21.484 1.00 25.00 H new ATOM 0 HB3 PHE A 19 0.563 11.078 -22.091 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -0.444 13.713 -20.304 1.00 25.00 H new ATOM 0 HD2 PHE A 19 0.573 9.606 -19.511 1.00 25.00 H new ATOM 0 HE1 PHE A 19 0.102 14.314 -17.945 1.00 25.00 H new ATOM 0 HE2 PHE A 19 1.209 10.223 -17.177 1.00 25.00 H new ATOM 0 HZ PHE A 19 0.931 12.574 -16.378 1.00 25.00 H new ATOM 303 N GLN A 20 -2.289 10.969 -24.139 1.00 25.00 N ATOM 304 CA GLN A 20 -2.381 10.568 -25.546 1.00 25.00 C ATOM 305 C GLN A 20 -2.648 11.744 -26.469 1.00 25.00 C ATOM 306 O GLN A 20 -2.028 11.853 -27.515 1.00 25.00 O ATOM 307 CB GLN A 20 -3.463 9.514 -25.746 1.00 25.00 C ATOM 308 CG GLN A 20 -3.375 8.767 -27.072 1.00 25.00 C ATOM 309 CD GLN A 20 -4.459 7.711 -27.191 1.00 25.00 C ATOM 310 OE1 GLN A 20 -5.298 7.770 -28.063 1.00 25.00 O ATOM 311 NE2 GLN A 20 -4.448 6.764 -26.299 1.00 25.00 N ATOM 0 H GLN A 20 -3.004 10.570 -23.530 1.00 25.00 H new ATOM 0 HA GLN A 20 -1.410 10.148 -25.807 1.00 25.00 H new ATOM 0 HB2 GLN A 20 -3.405 8.792 -24.931 1.00 25.00 H new ATOM 0 HB3 GLN A 20 -4.439 9.995 -25.677 1.00 25.00 H new ATOM 0 HG2 GLN A 20 -3.464 9.475 -27.896 1.00 25.00 H new ATOM 0 HG3 GLN A 20 -2.396 8.296 -27.161 1.00 25.00 H new ATOM 0 HE21 GLN A 20 -3.724 6.749 -25.580 1.00 25.00 H new ATOM 0 HE22 GLN A 20 -5.163 6.037 -26.318 1.00 25.00 H new ATOM 320 N GLN A 21 -3.551 12.635 -26.085 1.00 25.00 N ATOM 321 CA GLN A 21 -3.866 13.794 -26.932 1.00 25.00 C ATOM 322 C GLN A 21 -2.664 14.712 -27.046 1.00 25.00 C ATOM 323 O GLN A 21 -2.374 15.222 -28.123 1.00 25.00 O ATOM 324 CB GLN A 21 -5.080 14.545 -26.378 1.00 25.00 C ATOM 325 CG GLN A 21 -6.387 13.755 -26.552 1.00 25.00 C ATOM 326 CD GLN A 21 -7.576 14.500 -26.005 1.00 25.00 C ATOM 327 OE1 GLN A 21 -7.631 14.823 -24.840 1.00 25.00 O ATOM 328 NE2 GLN A 21 -8.519 14.795 -26.858 1.00 25.00 N ATOM 0 H GLN A 21 -4.074 12.587 -25.211 1.00 25.00 H new ATOM 0 HA GLN A 21 -4.114 13.438 -27.932 1.00 25.00 H new ATOM 0 HB2 GLN A 21 -4.923 14.754 -25.320 1.00 25.00 H new ATOM 0 HB3 GLN A 21 -5.170 15.507 -26.883 1.00 25.00 H new ATOM 0 HG2 GLN A 21 -6.546 13.546 -27.610 1.00 25.00 H new ATOM 0 HG3 GLN A 21 -6.299 12.793 -26.047 1.00 25.00 H new ATOM 0 HE21 GLN A 21 -8.435 14.504 -27.832 1.00 25.00 H new ATOM 0 HE22 GLN A 21 -9.340 15.316 -26.550 1.00 25.00 H new ATOM 337 N TYR A 22 -1.935 14.889 -25.953 1.00 25.00 N ATOM 338 CA TYR A 22 -0.728 15.704 -25.985 1.00 25.00 C ATOM 339 C TYR A 22 0.357 15.044 -26.836 1.00 25.00 C ATOM 340 O TYR A 22 1.037 15.705 -27.610 1.00 25.00 O ATOM 341 CB TYR A 22 -0.233 15.954 -24.566 1.00 25.00 C ATOM 342 CG TYR A 22 1.141 16.573 -24.521 1.00 25.00 C ATOM 343 CD1 TYR A 22 1.372 17.911 -24.931 1.00 25.00 C ATOM 344 CD2 TYR A 22 2.236 15.819 -24.080 1.00 25.00 C ATOM 345 CE1 TYR A 22 2.677 18.474 -24.887 1.00 25.00 C ATOM 346 CE2 TYR A 22 3.541 16.368 -24.045 1.00 25.00 C ATOM 347 CZ TYR A 22 3.747 17.688 -24.452 1.00 25.00 C ATOM 348 OH TYR A 22 5.017 18.218 -24.444 1.00 25.00 O ATOM 0 H TYR A 22 -2.154 14.485 -25.043 1.00 25.00 H new ATOM 0 HA TYR A 22 -0.967 16.663 -26.445 1.00 25.00 H new ATOM 0 HB2 TYR A 22 -0.937 16.608 -24.052 1.00 25.00 H new ATOM 0 HB3 TYR A 22 -0.218 15.010 -24.021 1.00 25.00 H new ATOM 0 HD1 TYR A 22 0.545 18.511 -25.282 1.00 25.00 H new ATOM 0 HD2 TYR A 22 2.082 14.799 -23.760 1.00 25.00 H new ATOM 0 HE1 TYR A 22 2.839 19.499 -25.187 1.00 25.00 H new ATOM 0 HE2 TYR A 22 4.373 15.769 -23.705 1.00 25.00 H new ATOM 0 HH TYR A 22 5.650 17.546 -24.114 1.00 25.00 H new ATOM 358 N ALA A 23 0.485 13.733 -26.727 1.00 25.00 N ATOM 359 CA ALA A 23 1.467 13.003 -27.502 1.00 25.00 C ATOM 360 C ALA A 23 1.150 13.085 -28.989 1.00 25.00 C ATOM 361 O ALA A 23 2.049 13.185 -29.815 1.00 25.00 O ATOM 362 CB ALA A 23 1.513 11.543 -27.054 1.00 25.00 C ATOM 0 H ALA A 23 -0.081 13.153 -26.107 1.00 25.00 H new ATOM 0 HA ALA A 23 2.444 13.457 -27.333 1.00 25.00 H new ATOM 0 HB1 ALA A 23 2.255 11.005 -27.644 1.00 25.00 H new ATOM 0 HB2 ALA A 23 1.783 11.494 -25.999 1.00 25.00 H new ATOM 0 HB3 ALA A 23 0.534 11.087 -27.199 1.00 25.00 H new ATOM 368 N ALA A 24 -0.134 13.067 -29.325 1.00 25.00 N ATOM 369 CA ALA A 24 -0.552 13.157 -30.715 1.00 25.00 C ATOM 370 C ALA A 24 -0.288 14.562 -31.264 1.00 25.00 C ATOM 371 O ALA A 24 -0.021 14.720 -32.428 1.00 25.00 O ATOM 372 CB ALA A 24 -2.040 12.820 -30.845 1.00 25.00 C ATOM 0 H ALA A 24 -0.900 12.991 -28.656 1.00 25.00 H new ATOM 0 HA ALA A 24 0.027 12.438 -31.295 1.00 25.00 H new ATOM 0 HB1 ALA A 24 -2.339 12.891 -31.891 1.00 25.00 H new ATOM 0 HB2 ALA A 24 -2.216 11.806 -30.486 1.00 25.00 H new ATOM 0 HB3 ALA A 24 -2.625 13.522 -30.251 1.00 25.00 H new ATOM 378 N GLN A 25 -0.340 15.559 -30.401 1.00 25.00 N ATOM 379 CA GLN A 25 -0.071 16.928 -30.797 1.00 25.00 C ATOM 380 C GLN A 25 1.414 17.103 -31.118 1.00 25.00 C ATOM 381 O GLN A 25 1.794 17.935 -31.934 1.00 25.00 O ATOM 382 CB GLN A 25 -0.461 17.855 -29.644 1.00 25.00 C ATOM 383 CG GLN A 25 -0.640 19.309 -30.071 1.00 25.00 C ATOM 384 CD GLN A 25 -2.083 19.659 -30.401 1.00 25.00 C ATOM 385 OE1 GLN A 25 -2.489 19.644 -31.542 1.00 25.00 O ATOM 386 NE2 GLN A 25 -2.854 19.977 -29.394 1.00 25.00 N ATOM 0 H GLN A 25 -0.568 15.444 -29.413 1.00 25.00 H new ATOM 0 HA GLN A 25 -0.650 17.172 -31.688 1.00 25.00 H new ATOM 0 HB2 GLN A 25 -1.389 17.498 -29.198 1.00 25.00 H new ATOM 0 HB3 GLN A 25 0.305 17.803 -28.870 1.00 25.00 H new ATOM 0 HG2 GLN A 25 -0.287 19.962 -29.273 1.00 25.00 H new ATOM 0 HG3 GLN A 25 -0.016 19.505 -30.943 1.00 25.00 H new ATOM 0 HE21 GLN A 25 -2.479 19.979 -28.445 1.00 25.00 H new ATOM 0 HE22 GLN A 25 -3.830 20.223 -29.557 1.00 25.00 H new ATOM 395 N GLN A 26 2.253 16.335 -30.424 1.00 25.00 N ATOM 396 CA GLN A 26 3.714 16.436 -30.544 1.00 25.00 C ATOM 397 C GLN A 26 4.240 15.555 -31.663 1.00 25.00 C ATOM 398 O GLN A 26 5.061 15.974 -32.473 1.00 25.00 O ATOM 399 CB GLN A 26 4.381 16.001 -29.229 1.00 25.00 C ATOM 400 CG GLN A 26 4.299 17.034 -28.114 1.00 25.00 C ATOM 401 CD GLN A 26 5.428 18.044 -28.206 1.00 25.00 C ATOM 402 OE1 GLN A 26 5.328 19.051 -28.892 1.00 25.00 O ATOM 403 NE2 GLN A 26 6.499 17.783 -27.510 1.00 25.00 N ATOM 0 H GLN A 26 1.943 15.624 -29.762 1.00 25.00 H new ATOM 0 HA GLN A 26 3.953 17.476 -30.767 1.00 25.00 H new ATOM 0 HB2 GLN A 26 3.915 15.077 -28.887 1.00 25.00 H new ATOM 0 HB3 GLN A 26 5.430 15.776 -29.424 1.00 25.00 H new ATOM 0 HG2 GLN A 26 3.341 17.552 -28.166 1.00 25.00 H new ATOM 0 HG3 GLN A 26 4.337 16.531 -27.148 1.00 25.00 H new ATOM 0 HE21 GLN A 26 6.548 16.933 -26.949 1.00 25.00 H new ATOM 0 HE22 GLN A 26 7.288 18.429 -27.527 1.00 25.00 H new ATOM 412 N TYR A 27 3.778 14.311 -31.701 1.00 25.00 N ATOM 413 CA TYR A 27 4.212 13.347 -32.707 1.00 25.00 C ATOM 414 C TYR A 27 3.012 12.824 -33.498 1.00 25.00 C ATOM 415 O TYR A 27 2.628 11.650 -33.371 1.00 25.00 O ATOM 416 CB TYR A 27 4.937 12.178 -32.019 1.00 25.00 C ATOM 417 CG TYR A 27 6.174 12.586 -31.231 1.00 25.00 C ATOM 418 CD1 TYR A 27 7.097 13.511 -31.756 1.00 25.00 C ATOM 419 CD2 TYR A 27 6.440 12.032 -29.957 1.00 25.00 C ATOM 420 CE1 TYR A 27 8.241 13.897 -31.029 1.00 25.00 C ATOM 421 CE2 TYR A 27 7.603 12.411 -29.221 1.00 25.00 C ATOM 422 CZ TYR A 27 8.494 13.348 -29.761 1.00 25.00 C ATOM 423 OH TYR A 27 9.620 13.710 -29.048 1.00 25.00 O ATOM 0 H TYR A 27 3.095 13.942 -31.039 1.00 25.00 H new ATOM 0 HA TYR A 27 4.894 13.840 -33.399 1.00 25.00 H new ATOM 0 HB2 TYR A 27 4.240 11.679 -31.346 1.00 25.00 H new ATOM 0 HB3 TYR A 27 5.227 11.449 -32.776 1.00 25.00 H new ATOM 0 HD1 TYR A 27 6.925 13.933 -32.735 1.00 25.00 H new ATOM 0 HD2 TYR A 27 5.754 11.312 -29.535 1.00 25.00 H new ATOM 0 HE1 TYR A 27 8.926 14.618 -31.449 1.00 25.00 H new ATOM 0 HE2 TYR A 27 7.796 11.977 -28.251 1.00 25.00 H new ATOM 0 HH TYR A 27 9.633 13.233 -28.192 1.00 25.00 H new ATOM 433 N PRO A 28 2.387 13.676 -34.321 1.00 25.00 N ATOM 434 CA PRO A 28 1.229 13.154 -35.042 1.00 25.00 C ATOM 435 C PRO A 28 1.599 12.114 -36.091 1.00 25.00 C ATOM 436 O PRO A 28 2.619 12.227 -36.743 1.00 25.00 O ATOM 437 CB PRO A 28 0.621 14.415 -35.664 1.00 25.00 C ATOM 438 CG PRO A 28 1.798 15.323 -35.866 1.00 25.00 C ATOM 439 CD PRO A 28 2.643 15.101 -34.646 1.00 25.00 C ATOM 0 HA PRO A 28 0.539 12.616 -34.392 1.00 25.00 H new ATOM 0 HB2 PRO A 28 0.121 14.194 -36.607 1.00 25.00 H new ATOM 0 HB3 PRO A 28 -0.123 14.866 -35.007 1.00 25.00 H new ATOM 0 HG2 PRO A 28 2.341 15.075 -36.778 1.00 25.00 H new ATOM 0 HG3 PRO A 28 1.488 16.364 -35.953 1.00 25.00 H new ATOM 0 HD2 PRO A 28 3.698 15.287 -34.846 1.00 25.00 H new ATOM 0 HD3 PRO A 28 2.353 15.760 -33.828 1.00 25.00 H new ATOM 447 N GLY A 29 0.777 11.082 -36.181 1.00 25.00 N ATOM 448 CA GLY A 29 1.028 9.997 -37.111 1.00 25.00 C ATOM 449 C GLY A 29 1.943 8.898 -36.589 1.00 25.00 C ATOM 450 O GLY A 29 1.877 7.782 -37.067 1.00 25.00 O ATOM 0 H GLY A 29 -0.069 10.974 -35.621 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.074 9.551 -37.391 1.00 25.00 H new ATOM 0 HA3 GLY A 29 1.465 10.411 -38.019 1.00 25.00 H new ATOM 454 N ASN A 30 2.773 9.184 -35.590 1.00 25.00 N ATOM 455 CA ASN A 30 3.750 8.197 -35.116 1.00 25.00 C ATOM 456 C ASN A 30 3.325 7.569 -33.814 1.00 25.00 C ATOM 457 O ASN A 30 3.764 8.003 -32.749 1.00 25.00 O ATOM 458 CB ASN A 30 5.140 8.806 -34.947 1.00 25.00 C ATOM 459 CG ASN A 30 5.898 8.866 -36.251 1.00 25.00 C ATOM 460 OD1 ASN A 30 5.829 9.830 -36.959 1.00 25.00 O ATOM 461 ND2 ASN A 30 6.606 7.820 -36.561 1.00 25.00 N ATOM 0 H ASN A 30 2.793 10.076 -35.096 1.00 25.00 H new ATOM 0 HA ASN A 30 3.794 7.425 -35.884 1.00 25.00 H new ATOM 0 HB2 ASN A 30 5.047 9.811 -34.536 1.00 25.00 H new ATOM 0 HB3 ASN A 30 5.707 8.218 -34.226 1.00 25.00 H new ATOM 0 HD21 ASN A 30 7.130 7.800 -37.436 1.00 25.00 H new ATOM 0 HD22 ASN A 30 6.637 7.020 -35.929 1.00 25.00 H new ATOM 468 N TYR A 31 2.507 6.527 -33.886 1.00 25.00 N ATOM 469 CA TYR A 31 2.035 5.814 -32.696 1.00 25.00 C ATOM 470 C TYR A 31 3.206 5.418 -31.787 1.00 25.00 C ATOM 471 O TYR A 31 3.138 5.591 -30.583 1.00 25.00 O ATOM 472 CB TYR A 31 1.284 4.563 -33.120 1.00 25.00 C ATOM 473 CG TYR A 31 1.065 3.568 -31.994 1.00 25.00 C ATOM 474 CD1 TYR A 31 0.148 3.822 -30.963 1.00 25.00 C ATOM 475 CD2 TYR A 31 1.807 2.364 -31.946 1.00 25.00 C ATOM 476 CE1 TYR A 31 -0.048 2.897 -29.908 1.00 25.00 C ATOM 477 CE2 TYR A 31 1.615 1.432 -30.888 1.00 25.00 C ATOM 478 CZ TYR A 31 0.694 1.714 -29.880 1.00 25.00 C ATOM 479 OH TYR A 31 0.507 0.835 -28.853 1.00 25.00 O ATOM 0 H TYR A 31 2.151 6.150 -34.764 1.00 25.00 H new ATOM 0 HA TYR A 31 1.375 6.479 -32.139 1.00 25.00 H new ATOM 0 HB2 TYR A 31 0.316 4.853 -33.529 1.00 25.00 H new ATOM 0 HB3 TYR A 31 1.836 4.074 -33.922 1.00 25.00 H new ATOM 0 HD1 TYR A 31 -0.420 4.741 -30.974 1.00 25.00 H new ATOM 0 HD2 TYR A 31 2.528 2.150 -32.722 1.00 25.00 H new ATOM 0 HE1 TYR A 31 -0.767 3.105 -29.130 1.00 25.00 H new ATOM 0 HE2 TYR A 31 2.179 0.512 -30.866 1.00 25.00 H new ATOM 0 HH TYR A 31 1.094 0.060 -28.975 1.00 25.00 H new ATOM 489 N GLU A 32 4.283 4.910 -32.368 1.00 25.00 N ATOM 490 CA GLU A 32 5.434 4.486 -31.580 1.00 25.00 C ATOM 491 C GLU A 32 6.069 5.620 -30.785 1.00 25.00 C ATOM 492 O GLU A 32 6.374 5.453 -29.623 1.00 25.00 O ATOM 493 CB GLU A 32 6.471 3.830 -32.481 1.00 25.00 C ATOM 494 CG GLU A 32 6.942 4.712 -33.621 1.00 25.00 C ATOM 495 CD GLU A 32 7.754 3.968 -34.644 1.00 25.00 C ATOM 496 OE1 GLU A 32 8.125 2.806 -34.408 1.00 25.00 O ATOM 497 OE2 GLU A 32 7.994 4.557 -35.714 1.00 25.00 O ATOM 0 H GLU A 32 4.385 4.781 -33.375 1.00 25.00 H new ATOM 0 HA GLU A 32 5.066 3.764 -30.851 1.00 25.00 H new ATOM 0 HB2 GLU A 32 7.332 3.543 -31.878 1.00 25.00 H new ATOM 0 HB3 GLU A 32 6.051 2.913 -32.894 1.00 25.00 H new ATOM 0 HG2 GLU A 32 6.076 5.159 -34.108 1.00 25.00 H new ATOM 0 HG3 GLU A 32 7.538 5.530 -33.217 1.00 25.00 H new ATOM 504 N GLN A 33 6.227 6.781 -31.401 1.00 25.00 N ATOM 505 CA GLN A 33 6.845 7.911 -30.721 1.00 25.00 C ATOM 506 C GLN A 33 5.904 8.452 -29.675 1.00 25.00 C ATOM 507 O GLN A 33 6.328 8.866 -28.603 1.00 25.00 O ATOM 508 CB GLN A 33 7.200 9.017 -31.710 1.00 25.00 C ATOM 509 CG GLN A 33 8.280 8.659 -32.699 1.00 25.00 C ATOM 510 CD GLN A 33 9.623 8.380 -32.037 1.00 25.00 C ATOM 511 OE1 GLN A 33 9.962 8.965 -31.021 1.00 25.00 O ATOM 512 NE2 GLN A 33 10.394 7.503 -32.628 1.00 25.00 N ATOM 0 H GLN A 33 5.939 6.966 -32.362 1.00 25.00 H new ATOM 0 HA GLN A 33 7.763 7.564 -30.247 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.301 9.295 -32.260 1.00 25.00 H new ATOM 0 HB3 GLN A 33 7.517 9.897 -31.151 1.00 25.00 H new ATOM 0 HG2 GLN A 33 7.970 7.780 -33.265 1.00 25.00 H new ATOM 0 HG3 GLN A 33 8.395 9.474 -33.414 1.00 25.00 H new ATOM 0 HE21 GLN A 33 10.076 7.034 -33.476 1.00 25.00 H new ATOM 0 HE22 GLN A 33 11.313 7.288 -32.240 1.00 25.00 H new ATOM 521 N GLN A 34 4.616 8.411 -29.984 1.00 25.00 N ATOM 522 CA GLN A 34 3.605 8.835 -29.026 1.00 25.00 C ATOM 523 C GLN A 34 3.750 7.974 -27.772 1.00 25.00 C ATOM 524 O GLN A 34 3.632 8.473 -26.658 1.00 25.00 O ATOM 525 CB GLN A 34 2.198 8.684 -29.634 1.00 25.00 C ATOM 526 CG GLN A 34 1.805 9.739 -30.631 1.00 25.00 C ATOM 527 CD GLN A 34 0.574 9.324 -31.422 1.00 25.00 C ATOM 528 OE1 GLN A 34 -0.210 8.507 -30.989 1.00 25.00 O ATOM 529 NE2 GLN A 34 0.397 9.913 -32.577 1.00 25.00 N ATOM 0 H GLN A 34 4.249 8.092 -30.881 1.00 25.00 H new ATOM 0 HA GLN A 34 3.742 9.886 -28.770 1.00 25.00 H new ATOM 0 HB2 GLN A 34 2.134 7.710 -30.118 1.00 25.00 H new ATOM 0 HB3 GLN A 34 1.469 8.686 -28.823 1.00 25.00 H new ATOM 0 HG2 GLN A 34 1.607 10.677 -30.112 1.00 25.00 H new ATOM 0 HG3 GLN A 34 2.634 9.922 -31.315 1.00 25.00 H new ATOM 0 HE21 GLN A 34 1.077 10.596 -32.911 1.00 25.00 H new ATOM 0 HE22 GLN A 34 -0.421 9.689 -33.144 1.00 25.00 H new ATOM 538 N GLN A 35 4.052 6.695 -27.929 1.00 25.00 N ATOM 539 CA GLN A 35 4.121 5.784 -26.777 1.00 25.00 C ATOM 540 C GLN A 35 5.370 6.037 -25.947 1.00 25.00 C ATOM 541 O GLN A 35 5.337 5.975 -24.722 1.00 25.00 O ATOM 542 CB GLN A 35 4.120 4.322 -27.253 1.00 25.00 C ATOM 543 CG GLN A 35 2.766 3.844 -27.796 1.00 25.00 C ATOM 544 CD GLN A 35 1.715 3.702 -26.710 1.00 25.00 C ATOM 545 OE1 GLN A 35 1.837 2.869 -25.834 1.00 25.00 O ATOM 546 NE2 GLN A 35 0.706 4.518 -26.766 1.00 25.00 N ATOM 0 H GLN A 35 4.253 6.259 -28.829 1.00 25.00 H new ATOM 0 HA GLN A 35 3.244 5.971 -26.157 1.00 25.00 H new ATOM 0 HB2 GLN A 35 4.874 4.203 -28.031 1.00 25.00 H new ATOM 0 HB3 GLN A 35 4.414 3.680 -26.423 1.00 25.00 H new ATOM 0 HG2 GLN A 35 2.412 4.549 -28.548 1.00 25.00 H new ATOM 0 HG3 GLN A 35 2.898 2.884 -28.295 1.00 25.00 H new ATOM 0 HE21 GLN A 35 0.645 5.202 -27.520 1.00 25.00 H new ATOM 0 HE22 GLN A 35 -0.025 4.475 -26.056 1.00 25.00 H new ATOM 555 N ILE A 36 6.473 6.356 -26.616 1.00 25.00 N ATOM 556 CA ILE A 36 7.725 6.672 -25.934 1.00 25.00 C ATOM 557 C ILE A 36 7.512 7.909 -25.070 1.00 25.00 C ATOM 558 O ILE A 36 7.909 7.927 -23.897 1.00 25.00 O ATOM 559 CB ILE A 36 8.847 6.942 -26.970 1.00 25.00 C ATOM 560 CG1 ILE A 36 9.113 5.654 -27.780 1.00 25.00 C ATOM 561 CG2 ILE A 36 10.150 7.427 -26.285 1.00 25.00 C ATOM 562 CD1 ILE A 36 9.892 5.890 -29.084 1.00 25.00 C ATOM 0 H ILE A 36 6.526 6.403 -27.634 1.00 25.00 H new ATOM 0 HA ILE A 36 8.025 5.829 -25.312 1.00 25.00 H new ATOM 0 HB ILE A 36 8.516 7.736 -27.639 1.00 25.00 H new ATOM 0 HG12 ILE A 36 9.669 4.953 -27.158 1.00 25.00 H new ATOM 0 HG13 ILE A 36 8.160 5.182 -28.018 1.00 25.00 H new ATOM 0 HG21 ILE A 36 10.914 7.606 -27.042 1.00 25.00 H new ATOM 0 HG22 ILE A 36 9.953 8.351 -25.742 1.00 25.00 H new ATOM 0 HG23 ILE A 36 10.501 6.665 -25.589 1.00 25.00 H new ATOM 0 HD11 ILE A 36 10.040 4.939 -29.597 1.00 25.00 H new ATOM 0 HD12 ILE A 36 9.328 6.565 -29.727 1.00 25.00 H new ATOM 0 HD13 ILE A 36 10.861 6.333 -28.854 1.00 25.00 H new ATOM 574 N LEU A 37 6.840 8.913 -25.613 1.00 25.00 N ATOM 575 CA LEU A 37 6.595 10.138 -24.856 1.00 25.00 C ATOM 576 C LEU A 37 5.704 9.860 -23.648 1.00 25.00 C ATOM 577 O LEU A 37 6.038 10.225 -22.529 1.00 25.00 O ATOM 578 CB LEU A 37 5.948 11.203 -25.759 1.00 25.00 C ATOM 579 CG LEU A 37 5.719 12.603 -25.143 1.00 25.00 C ATOM 580 CD1 LEU A 37 7.030 13.192 -24.633 1.00 25.00 C ATOM 581 CD2 LEU A 37 5.103 13.520 -26.179 1.00 25.00 C ATOM 0 H LEU A 37 6.459 8.909 -26.559 1.00 25.00 H new ATOM 0 HA LEU A 37 7.553 10.514 -24.497 1.00 25.00 H new ATOM 0 HB2 LEU A 37 6.573 11.321 -26.644 1.00 25.00 H new ATOM 0 HB3 LEU A 37 4.985 10.820 -26.097 1.00 25.00 H new ATOM 0 HG LEU A 37 5.039 12.505 -24.297 1.00 25.00 H new ATOM 0 HD11 LEU A 37 6.844 14.177 -24.204 1.00 25.00 H new ATOM 0 HD12 LEU A 37 7.450 12.537 -23.870 1.00 25.00 H new ATOM 0 HD13 LEU A 37 7.734 13.284 -25.460 1.00 25.00 H new ATOM 0 HD21 LEU A 37 4.942 14.506 -25.743 1.00 25.00 H new ATOM 0 HD22 LEU A 37 5.774 13.606 -27.034 1.00 25.00 H new ATOM 0 HD23 LEU A 37 4.148 13.109 -26.507 1.00 25.00 H new ATOM 593 N ILE A 38 4.593 9.160 -23.865 1.00 25.00 N ATOM 594 CA ILE A 38 3.648 8.824 -22.789 1.00 25.00 C ATOM 595 C ILE A 38 4.313 8.015 -21.679 1.00 25.00 C ATOM 596 O ILE A 38 4.067 8.269 -20.495 1.00 25.00 O ATOM 597 CB ILE A 38 2.402 8.066 -23.370 1.00 25.00 C ATOM 598 CG1 ILE A 38 1.619 9.022 -24.289 1.00 25.00 C ATOM 599 CG2 ILE A 38 1.474 7.538 -22.249 1.00 25.00 C ATOM 600 CD1 ILE A 38 0.613 8.336 -25.198 1.00 25.00 C ATOM 0 H ILE A 38 4.319 8.809 -24.783 1.00 25.00 H new ATOM 0 HA ILE A 38 3.309 9.759 -22.343 1.00 25.00 H new ATOM 0 HB ILE A 38 2.758 7.203 -23.933 1.00 25.00 H new ATOM 0 HG12 ILE A 38 1.094 9.751 -23.672 1.00 25.00 H new ATOM 0 HG13 ILE A 38 2.328 9.576 -24.904 1.00 25.00 H new ATOM 0 HG21 ILE A 38 0.624 7.020 -22.694 1.00 25.00 H new ATOM 0 HG22 ILE A 38 2.028 6.847 -21.613 1.00 25.00 H new ATOM 0 HG23 ILE A 38 1.115 8.375 -21.649 1.00 25.00 H new ATOM 0 HD11 ILE A 38 0.107 9.083 -25.810 1.00 25.00 H new ATOM 0 HD12 ILE A 38 1.131 7.627 -25.844 1.00 25.00 H new ATOM 0 HD13 ILE A 38 -0.122 7.805 -24.593 1.00 25.00 H new ATOM 612 N ARG A 39 5.210 7.100 -22.025 1.00 25.00 N ATOM 613 CA ARG A 39 5.918 6.312 -21.014 1.00 25.00 C ATOM 614 C ARG A 39 6.659 7.226 -20.045 1.00 25.00 C ATOM 615 O ARG A 39 6.606 7.026 -18.837 1.00 25.00 O ATOM 616 CB ARG A 39 6.926 5.367 -21.667 1.00 25.00 C ATOM 617 CG ARG A 39 6.316 4.092 -22.225 1.00 25.00 C ATOM 618 CD ARG A 39 7.269 3.402 -23.185 1.00 25.00 C ATOM 619 NE ARG A 39 8.555 3.064 -22.536 1.00 25.00 N ATOM 620 CZ ARG A 39 9.616 2.566 -23.158 1.00 25.00 C ATOM 621 NH1 ARG A 39 9.629 2.321 -24.451 1.00 25.00 N ATOM 622 NH2 ARG A 39 10.694 2.328 -22.467 1.00 25.00 N ATOM 0 H ARG A 39 5.466 6.884 -22.988 1.00 25.00 H new ATOM 0 HA ARG A 39 5.174 5.728 -20.472 1.00 25.00 H new ATOM 0 HB2 ARG A 39 7.433 5.896 -22.473 1.00 25.00 H new ATOM 0 HB3 ARG A 39 7.686 5.101 -20.932 1.00 25.00 H new ATOM 0 HG2 ARG A 39 6.067 3.416 -21.407 1.00 25.00 H new ATOM 0 HG3 ARG A 39 5.384 4.326 -22.739 1.00 25.00 H new ATOM 0 HD2 ARG A 39 6.805 2.493 -23.567 1.00 25.00 H new ATOM 0 HD3 ARG A 39 7.454 4.050 -24.042 1.00 25.00 H new ATOM 0 HE ARG A 39 8.632 3.227 -21.532 1.00 25.00 H new ATOM 0 HH11 ARG A 39 8.801 2.514 -25.015 1.00 25.00 H new ATOM 0 HH12 ARG A 39 10.467 1.938 -24.889 1.00 25.00 H new ATOM 0 HH21 ARG A 39 10.712 2.524 -21.466 1.00 25.00 H new ATOM 0 HH22 ARG A 39 11.520 1.945 -22.927 1.00 25.00 H new ATOM 636 N GLN A 40 7.322 8.245 -20.572 1.00 25.00 N ATOM 637 CA GLN A 40 8.096 9.163 -19.743 1.00 25.00 C ATOM 638 C GLN A 40 7.202 10.174 -19.003 1.00 25.00 C ATOM 639 O GLN A 40 7.514 10.578 -17.888 1.00 25.00 O ATOM 640 CB GLN A 40 9.123 9.906 -20.610 1.00 25.00 C ATOM 641 CG GLN A 40 10.134 8.963 -21.237 1.00 25.00 C ATOM 642 CD GLN A 40 11.215 9.696 -22.005 1.00 25.00 C ATOM 643 OE1 GLN A 40 10.948 10.412 -22.946 1.00 25.00 O ATOM 644 NE2 GLN A 40 12.443 9.510 -21.587 1.00 25.00 N ATOM 0 H GLN A 40 7.341 8.459 -21.569 1.00 25.00 H new ATOM 0 HA GLN A 40 8.609 8.569 -18.987 1.00 25.00 H new ATOM 0 HB2 GLN A 40 8.604 10.454 -21.396 1.00 25.00 H new ATOM 0 HB3 GLN A 40 9.646 10.643 -20.000 1.00 25.00 H new ATOM 0 HG2 GLN A 40 10.595 8.358 -20.456 1.00 25.00 H new ATOM 0 HG3 GLN A 40 9.618 8.277 -21.908 1.00 25.00 H new ATOM 0 HE21 GLN A 40 12.624 8.899 -20.791 1.00 25.00 H new ATOM 0 HE22 GLN A 40 13.218 9.977 -22.058 1.00 25.00 H new ATOM 653 N LEU A 41 6.075 10.536 -19.587 1.00 25.00 N ATOM 654 CA LEU A 41 5.141 11.445 -18.919 1.00 25.00 C ATOM 655 C LEU A 41 4.604 10.772 -17.662 1.00 25.00 C ATOM 656 O LEU A 41 4.471 11.392 -16.601 1.00 25.00 O ATOM 657 CB LEU A 41 3.975 11.798 -19.851 1.00 25.00 C ATOM 658 CG LEU A 41 4.299 12.663 -21.094 1.00 25.00 C ATOM 659 CD1 LEU A 41 3.088 12.721 -22.048 1.00 25.00 C ATOM 660 CD2 LEU A 41 4.712 14.069 -20.741 1.00 25.00 C ATOM 0 H LEU A 41 5.780 10.223 -20.512 1.00 25.00 H new ATOM 0 HA LEU A 41 5.665 12.364 -18.656 1.00 25.00 H new ATOM 0 HB2 LEU A 41 3.524 10.867 -20.195 1.00 25.00 H new ATOM 0 HB3 LEU A 41 3.219 12.320 -19.264 1.00 25.00 H new ATOM 0 HG LEU A 41 5.144 12.180 -21.585 1.00 25.00 H new ATOM 0 HD11 LEU A 41 3.337 13.334 -22.915 1.00 25.00 H new ATOM 0 HD12 LEU A 41 2.835 11.713 -22.377 1.00 25.00 H new ATOM 0 HD13 LEU A 41 2.235 13.158 -21.528 1.00 25.00 H new ATOM 0 HD21 LEU A 41 4.926 14.625 -21.654 1.00 25.00 H new ATOM 0 HD22 LEU A 41 3.905 14.560 -20.198 1.00 25.00 H new ATOM 0 HD23 LEU A 41 5.605 14.040 -20.116 1.00 25.00 H new ATOM 672 N GLN A 42 4.300 9.487 -17.776 1.00 25.00 N ATOM 673 CA GLN A 42 3.783 8.721 -16.639 1.00 25.00 C ATOM 674 C GLN A 42 4.877 8.530 -15.591 1.00 25.00 C ATOM 675 O GLN A 42 4.619 8.590 -14.398 1.00 25.00 O ATOM 676 CB GLN A 42 3.267 7.372 -17.133 1.00 25.00 C ATOM 677 CG GLN A 42 2.048 7.531 -18.046 1.00 25.00 C ATOM 678 CD GLN A 42 1.626 6.249 -18.739 1.00 25.00 C ATOM 679 OE1 GLN A 42 0.459 6.029 -18.981 1.00 25.00 O ATOM 680 NE2 GLN A 42 2.575 5.421 -19.081 1.00 25.00 N ATOM 0 H GLN A 42 4.400 8.950 -18.638 1.00 25.00 H new ATOM 0 HA GLN A 42 2.962 9.267 -16.175 1.00 25.00 H new ATOM 0 HB2 GLN A 42 4.060 6.854 -17.672 1.00 25.00 H new ATOM 0 HB3 GLN A 42 3.003 6.749 -16.279 1.00 25.00 H new ATOM 0 HG2 GLN A 42 1.211 7.906 -17.456 1.00 25.00 H new ATOM 0 HG3 GLN A 42 2.268 8.285 -18.802 1.00 25.00 H new ATOM 0 HE21 GLN A 42 3.547 5.640 -18.861 1.00 25.00 H new ATOM 0 HE22 GLN A 42 2.345 4.555 -19.569 1.00 25.00 H new ATOM 689 N GLU A 43 6.100 8.328 -16.056 1.00 25.00 N ATOM 690 CA GLU A 43 7.247 8.153 -15.165 1.00 25.00 C ATOM 691 C GLU A 43 7.450 9.417 -14.324 1.00 25.00 C ATOM 692 O GLU A 43 7.616 9.366 -13.106 1.00 25.00 O ATOM 693 CB GLU A 43 8.493 7.863 -16.012 1.00 25.00 C ATOM 694 CG GLU A 43 9.721 7.409 -15.234 1.00 25.00 C ATOM 695 CD GLU A 43 10.919 7.135 -16.147 1.00 25.00 C ATOM 696 OE1 GLU A 43 10.707 6.555 -17.250 1.00 25.00 O ATOM 697 OE2 GLU A 43 12.055 7.520 -15.791 1.00 25.00 O ATOM 0 H GLU A 43 6.329 8.280 -17.049 1.00 25.00 H new ATOM 0 HA GLU A 43 7.069 7.317 -14.488 1.00 25.00 H new ATOM 0 HB2 GLU A 43 8.243 7.095 -16.744 1.00 25.00 H new ATOM 0 HB3 GLU A 43 8.750 8.763 -16.570 1.00 25.00 H new ATOM 0 HG2 GLU A 43 9.990 8.174 -14.505 1.00 25.00 H new ATOM 0 HG3 GLU A 43 9.480 6.506 -14.674 1.00 25.00 H new ATOM 704 N GLN A 44 7.380 10.573 -14.959 1.00 25.00 N ATOM 705 CA GLN A 44 7.570 11.841 -14.269 1.00 25.00 C ATOM 706 C GLN A 44 6.456 12.117 -13.244 1.00 25.00 C ATOM 707 O GLN A 44 6.721 12.613 -12.146 1.00 25.00 O ATOM 708 CB GLN A 44 7.641 12.971 -15.304 1.00 25.00 C ATOM 709 CG GLN A 44 8.205 14.286 -14.779 1.00 25.00 C ATOM 710 CD GLN A 44 9.713 14.229 -14.504 1.00 25.00 C ATOM 711 OE1 GLN A 44 10.364 13.191 -14.622 1.00 25.00 O ATOM 712 NE2 GLN A 44 10.270 15.360 -14.155 1.00 25.00 N ATOM 0 H GLN A 44 7.192 10.662 -15.958 1.00 25.00 H new ATOM 0 HA GLN A 44 8.505 11.789 -13.711 1.00 25.00 H new ATOM 0 HB2 GLN A 44 8.253 12.639 -16.142 1.00 25.00 H new ATOM 0 HB3 GLN A 44 6.639 13.152 -15.693 1.00 25.00 H new ATOM 0 HG2 GLN A 44 8.004 15.075 -15.503 1.00 25.00 H new ATOM 0 HG3 GLN A 44 7.684 14.556 -13.860 1.00 25.00 H new ATOM 0 HE21 GLN A 44 9.702 16.202 -14.066 1.00 25.00 H new ATOM 0 HE22 GLN A 44 11.273 15.400 -13.972 1.00 25.00 H new ATOM 721 N HIS A 45 5.235 11.752 -13.593 1.00 25.00 N ATOM 722 CA HIS A 45 4.081 11.983 -12.722 1.00 25.00 C ATOM 723 C HIS A 45 4.165 11.169 -11.429 1.00 25.00 C ATOM 724 O HIS A 45 3.635 11.564 -10.391 1.00 25.00 O ATOM 725 CB HIS A 45 2.790 11.624 -13.470 1.00 25.00 C ATOM 726 CG HIS A 45 1.539 12.096 -12.798 1.00 25.00 C ATOM 727 ND1 HIS A 45 1.101 13.402 -12.782 1.00 25.00 N ATOM 728 CD2 HIS A 45 0.596 11.410 -12.097 1.00 25.00 C ATOM 729 CE1 HIS A 45 -0.045 13.457 -12.104 1.00 25.00 C ATOM 730 NE2 HIS A 45 -0.401 12.265 -11.667 1.00 25.00 N ATOM 0 H HIS A 45 5.010 11.292 -14.475 1.00 25.00 H new ATOM 0 HA HIS A 45 4.079 13.039 -12.451 1.00 25.00 H new ATOM 0 HB2 HIS A 45 2.834 12.051 -14.472 1.00 25.00 H new ATOM 0 HB3 HIS A 45 2.740 10.541 -13.586 1.00 25.00 H new ATOM 0 HD2 HIS A 45 0.623 10.348 -11.904 1.00 25.00 H new ATOM 0 HE1 HIS A 45 -0.610 14.362 -11.934 1.00 25.00 H new ATOM 0 HE2 HIS A 45 -1.233 12.026 -11.128 1.00 25.00 H new ATOM 738 N TYR A 46 4.869 10.050 -11.486 1.00 25.00 N ATOM 739 CA TYR A 46 5.041 9.186 -10.317 1.00 25.00 C ATOM 740 C TYR A 46 5.724 9.884 -9.157 1.00 25.00 C ATOM 741 O TYR A 46 5.419 9.615 -7.982 1.00 25.00 O ATOM 742 CB TYR A 46 5.870 7.971 -10.739 1.00 25.00 C ATOM 743 CG TYR A 46 5.753 6.800 -9.799 1.00 25.00 C ATOM 744 CD1 TYR A 46 4.542 6.085 -9.701 1.00 25.00 C ATOM 745 CD2 TYR A 46 6.846 6.378 -9.024 1.00 25.00 C ATOM 746 CE1 TYR A 46 4.428 4.952 -8.863 1.00 25.00 C ATOM 747 CE2 TYR A 46 6.727 5.256 -8.160 1.00 25.00 C ATOM 748 CZ TYR A 46 5.524 4.552 -8.105 1.00 25.00 C ATOM 749 OH TYR A 46 5.393 3.452 -7.307 1.00 25.00 O ATOM 0 H TYR A 46 5.334 9.713 -12.329 1.00 25.00 H new ATOM 0 HA TYR A 46 4.051 8.895 -9.967 1.00 25.00 H new ATOM 0 HB2 TYR A 46 5.558 7.658 -11.735 1.00 25.00 H new ATOM 0 HB3 TYR A 46 6.917 8.264 -10.811 1.00 25.00 H new ATOM 0 HD1 TYR A 46 3.687 6.408 -10.276 1.00 25.00 H new ATOM 0 HD2 TYR A 46 7.784 6.910 -9.085 1.00 25.00 H new ATOM 0 HE1 TYR A 46 3.500 4.403 -8.812 1.00 25.00 H new ATOM 0 HE2 TYR A 46 7.563 4.950 -7.549 1.00 25.00 H new ATOM 0 HH TYR A 46 4.844 2.781 -7.763 1.00 25.00 H new ATOM 759 N GLN A 47 6.624 10.808 -9.468 1.00 25.00 N ATOM 760 CA GLN A 47 7.356 11.543 -8.415 1.00 25.00 C ATOM 761 C GLN A 47 6.392 12.331 -7.549 1.00 25.00 C ATOM 762 O GLN A 47 6.544 12.376 -6.326 1.00 25.00 O ATOM 763 CB GLN A 47 8.387 12.503 -9.030 1.00 25.00 C ATOM 764 CG GLN A 47 9.507 11.819 -9.783 1.00 25.00 C ATOM 765 CD GLN A 47 10.590 12.798 -10.166 1.00 25.00 C ATOM 766 OE1 GLN A 47 11.034 13.596 -9.356 1.00 25.00 O ATOM 767 NE2 GLN A 47 11.021 12.739 -11.392 1.00 25.00 N ATOM 0 H GLN A 47 6.870 11.072 -10.422 1.00 25.00 H new ATOM 0 HA GLN A 47 7.878 10.809 -7.801 1.00 25.00 H new ATOM 0 HB2 GLN A 47 7.872 13.184 -9.708 1.00 25.00 H new ATOM 0 HB3 GLN A 47 8.819 13.111 -8.235 1.00 25.00 H new ATOM 0 HG2 GLN A 47 9.932 11.027 -9.166 1.00 25.00 H new ATOM 0 HG3 GLN A 47 9.108 11.345 -10.680 1.00 25.00 H new ATOM 0 HE21 GLN A 47 10.625 12.058 -12.040 1.00 25.00 H new ATOM 0 HE22 GLN A 47 11.755 13.374 -11.706 1.00 25.00 H new ATOM 776 N GLN A 48 5.394 12.934 -8.176 1.00 25.00 N ATOM 777 CA GLN A 48 4.429 13.743 -7.455 1.00 25.00 C ATOM 778 C GLN A 48 3.517 12.857 -6.622 1.00 25.00 C ATOM 779 O GLN A 48 3.155 13.200 -5.500 1.00 25.00 O ATOM 780 CB GLN A 48 3.630 14.593 -8.435 1.00 25.00 C ATOM 781 CG GLN A 48 2.817 15.685 -7.754 1.00 25.00 C ATOM 782 CD GLN A 48 2.216 16.660 -8.758 1.00 25.00 C ATOM 783 OE1 GLN A 48 2.918 17.406 -9.416 1.00 25.00 O ATOM 784 NE2 GLN A 48 0.906 16.649 -8.883 1.00 25.00 N ATOM 0 H GLN A 48 5.233 12.877 -9.182 1.00 25.00 H new ATOM 0 HA GLN A 48 4.957 14.412 -6.775 1.00 25.00 H new ATOM 0 HB2 GLN A 48 4.313 15.050 -9.151 1.00 25.00 H new ATOM 0 HB3 GLN A 48 2.958 13.948 -9.002 1.00 25.00 H new ATOM 0 HG2 GLN A 48 2.018 15.230 -7.168 1.00 25.00 H new ATOM 0 HG3 GLN A 48 3.454 16.229 -7.057 1.00 25.00 H new ATOM 0 HE21 GLN A 48 0.345 16.012 -8.317 1.00 25.00 H new ATOM 0 HE22 GLN A 48 0.452 17.277 -9.546 1.00 25.00 H new ATOM 793 N TYR A 49 3.184 11.693 -7.154 1.00 25.00 N ATOM 794 CA TYR A 49 2.373 10.720 -6.418 1.00 25.00 C ATOM 795 C TYR A 49 3.103 10.301 -5.141 1.00 25.00 C ATOM 796 O TYR A 49 2.505 10.192 -4.067 1.00 25.00 O ATOM 797 CB TYR A 49 2.082 9.492 -7.295 1.00 25.00 C ATOM 798 CG TYR A 49 0.915 8.679 -6.809 1.00 25.00 C ATOM 799 CD1 TYR A 49 1.064 7.718 -5.801 1.00 25.00 C ATOM 800 CD2 TYR A 49 -0.382 8.870 -7.365 1.00 25.00 C ATOM 801 CE1 TYR A 49 -0.056 6.950 -5.349 1.00 25.00 C ATOM 802 CE2 TYR A 49 -1.494 8.113 -6.920 1.00 25.00 C ATOM 803 CZ TYR A 49 -1.324 7.170 -5.914 1.00 25.00 C ATOM 804 OH TYR A 49 -2.396 6.436 -5.477 1.00 25.00 O ATOM 0 H TYR A 49 3.459 11.393 -8.090 1.00 25.00 H new ATOM 0 HA TYR A 49 1.423 11.182 -6.149 1.00 25.00 H new ATOM 0 HB2 TYR A 49 1.887 9.821 -8.316 1.00 25.00 H new ATOM 0 HB3 TYR A 49 2.969 8.859 -7.328 1.00 25.00 H new ATOM 0 HD1 TYR A 49 2.036 7.555 -5.359 1.00 25.00 H new ATOM 0 HD2 TYR A 49 -0.521 9.607 -8.142 1.00 25.00 H new ATOM 0 HE1 TYR A 49 0.073 6.205 -4.578 1.00 25.00 H new ATOM 0 HE2 TYR A 49 -2.468 8.268 -7.360 1.00 25.00 H new ATOM 0 HH TYR A 49 -3.200 6.709 -5.966 1.00 25.00 H new ATOM 814 N MET A 50 4.406 10.099 -5.238 1.00 25.00 N ATOM 815 CA MET A 50 5.200 9.701 -4.075 1.00 25.00 C ATOM 816 C MET A 50 5.291 10.832 -3.061 1.00 25.00 C ATOM 817 O MET A 50 5.176 10.601 -1.853 1.00 25.00 O ATOM 818 CB MET A 50 6.621 9.276 -4.496 1.00 25.00 C ATOM 819 CG MET A 50 7.106 8.013 -3.821 1.00 25.00 C ATOM 820 SD MET A 50 6.907 6.538 -4.882 1.00 25.00 S ATOM 821 CE MET A 50 5.136 6.388 -5.025 1.00 25.00 C ATOM 0 H MET A 50 4.939 10.202 -6.102 1.00 25.00 H new ATOM 0 HA MET A 50 4.696 8.852 -3.614 1.00 25.00 H new ATOM 0 HB2 MET A 50 6.641 9.130 -5.576 1.00 25.00 H new ATOM 0 HB3 MET A 50 7.314 10.086 -4.271 1.00 25.00 H new ATOM 0 HG2 MET A 50 8.157 8.127 -3.555 1.00 25.00 H new ATOM 0 HG3 MET A 50 6.556 7.866 -2.892 1.00 25.00 H new ATOM 0 HE1 MET A 50 4.888 5.435 -5.493 1.00 25.00 H new ATOM 0 HE2 MET A 50 4.686 6.433 -4.033 1.00 25.00 H new ATOM 0 HE3 MET A 50 4.750 7.204 -5.636 1.00 25.00 H new ATOM 831 N GLN A 51 5.475 12.043 -3.553 1.00 25.00 N ATOM 832 CA GLN A 51 5.528 13.222 -2.685 1.00 25.00 C ATOM 833 C GLN A 51 4.209 13.403 -1.941 1.00 25.00 C ATOM 834 O GLN A 51 4.208 13.711 -0.740 1.00 25.00 O ATOM 835 CB GLN A 51 5.826 14.452 -3.543 1.00 25.00 C ATOM 836 CG GLN A 51 6.175 15.707 -2.750 1.00 25.00 C ATOM 837 CD GLN A 51 6.414 16.892 -3.646 1.00 25.00 C ATOM 838 OE1 GLN A 51 5.489 17.503 -4.132 1.00 25.00 O ATOM 839 NE2 GLN A 51 7.654 17.225 -3.855 1.00 25.00 N ATOM 0 H GLN A 51 5.591 12.244 -4.546 1.00 25.00 H new ATOM 0 HA GLN A 51 6.315 13.090 -1.943 1.00 25.00 H new ATOM 0 HB2 GLN A 51 6.653 14.220 -4.214 1.00 25.00 H new ATOM 0 HB3 GLN A 51 4.958 14.662 -4.168 1.00 25.00 H new ATOM 0 HG2 GLN A 51 5.365 15.934 -2.056 1.00 25.00 H new ATOM 0 HG3 GLN A 51 7.066 15.521 -2.150 1.00 25.00 H new ATOM 0 HE21 GLN A 51 8.406 16.685 -3.427 1.00 25.00 H new ATOM 0 HE22 GLN A 51 7.874 18.026 -4.446 1.00 25.00 H new ATOM 848 N GLN A 52 3.092 13.167 -2.621 1.00 25.00 N ATOM 849 CA GLN A 52 1.772 13.290 -1.996 1.00 25.00 C ATOM 850 C GLN A 52 1.652 12.288 -0.855 1.00 25.00 C ATOM 851 O GLN A 52 1.226 12.632 0.242 1.00 25.00 O ATOM 852 CB GLN A 52 0.649 13.069 -3.028 1.00 25.00 C ATOM 853 CG GLN A 52 -0.737 13.412 -2.511 1.00 25.00 C ATOM 854 CD GLN A 52 -1.803 13.240 -3.592 1.00 25.00 C ATOM 855 OE1 GLN A 52 -1.839 12.238 -4.291 1.00 25.00 O ATOM 856 NE2 GLN A 52 -2.664 14.228 -3.732 1.00 25.00 N ATOM 0 H GLN A 52 3.070 12.890 -3.602 1.00 25.00 H new ATOM 0 HA GLN A 52 1.666 14.300 -1.600 1.00 25.00 H new ATOM 0 HB2 GLN A 52 0.856 13.673 -3.911 1.00 25.00 H new ATOM 0 HB3 GLN A 52 0.660 12.026 -3.345 1.00 25.00 H new ATOM 0 HG2 GLN A 52 -0.976 12.774 -1.660 1.00 25.00 H new ATOM 0 HG3 GLN A 52 -0.747 14.441 -2.151 1.00 25.00 H new ATOM 0 HE21 GLN A 52 -2.601 15.048 -3.129 1.00 25.00 H new ATOM 0 HE22 GLN A 52 -3.393 14.172 -4.443 1.00 25.00 H new ATOM 865 N LEU A 53 2.044 11.042 -1.095 1.00 25.00 N ATOM 866 CA LEU A 53 1.940 9.977 -0.082 1.00 25.00 C ATOM 867 C LEU A 53 2.741 10.281 1.179 1.00 25.00 C ATOM 868 O LEU A 53 2.317 9.941 2.271 1.00 25.00 O ATOM 869 CB LEU A 53 2.420 8.643 -0.666 1.00 25.00 C ATOM 870 CG LEU A 53 1.481 7.932 -1.636 1.00 25.00 C ATOM 871 CD1 LEU A 53 2.228 6.785 -2.299 1.00 25.00 C ATOM 872 CD2 LEU A 53 0.211 7.393 -0.912 1.00 25.00 C ATOM 0 H LEU A 53 2.440 10.735 -1.984 1.00 25.00 H new ATOM 0 HA LEU A 53 0.888 9.917 0.197 1.00 25.00 H new ATOM 0 HB2 LEU A 53 3.366 8.819 -1.178 1.00 25.00 H new ATOM 0 HB3 LEU A 53 2.627 7.966 0.163 1.00 25.00 H new ATOM 0 HG LEU A 53 1.151 8.649 -2.388 1.00 25.00 H new ATOM 0 HD11 LEU A 53 1.564 6.272 -2.994 1.00 25.00 H new ATOM 0 HD12 LEU A 53 3.088 7.177 -2.842 1.00 25.00 H new ATOM 0 HD13 LEU A 53 2.568 6.084 -1.537 1.00 25.00 H new ATOM 0 HD21 LEU A 53 -0.435 6.893 -1.634 1.00 25.00 H new ATOM 0 HD22 LEU A 53 0.507 6.685 -0.138 1.00 25.00 H new ATOM 0 HD23 LEU A 53 -0.329 8.224 -0.457 1.00 25.00 H new ATOM 884 N TYR A 54 3.860 10.965 1.033 1.00 25.00 N ATOM 885 CA TYR A 54 4.653 11.341 2.189 1.00 25.00 C ATOM 886 C TYR A 54 3.870 12.328 3.087 1.00 25.00 C ATOM 887 O TYR A 54 3.912 12.230 4.310 1.00 25.00 O ATOM 888 CB TYR A 54 5.973 11.948 1.709 1.00 25.00 C ATOM 889 CG TYR A 54 6.515 13.034 2.600 1.00 25.00 C ATOM 890 CD1 TYR A 54 7.180 12.734 3.812 1.00 25.00 C ATOM 891 CD2 TYR A 54 6.381 14.392 2.224 1.00 25.00 C ATOM 892 CE1 TYR A 54 7.700 13.793 4.636 1.00 25.00 C ATOM 893 CE2 TYR A 54 6.900 15.433 3.044 1.00 25.00 C ATOM 894 CZ TYR A 54 7.558 15.129 4.234 1.00 25.00 C ATOM 895 OH TYR A 54 8.056 16.145 5.003 1.00 25.00 O ATOM 0 H TYR A 54 4.238 11.269 0.136 1.00 25.00 H new ATOM 0 HA TYR A 54 4.869 10.459 2.792 1.00 25.00 H new ATOM 0 HB2 TYR A 54 6.716 11.155 1.629 1.00 25.00 H new ATOM 0 HB3 TYR A 54 5.830 12.353 0.707 1.00 25.00 H new ATOM 0 HD1 TYR A 54 7.298 11.706 4.120 1.00 25.00 H new ATOM 0 HD2 TYR A 54 5.878 14.642 1.302 1.00 25.00 H new ATOM 0 HE1 TYR A 54 8.200 13.559 5.564 1.00 25.00 H new ATOM 0 HE2 TYR A 54 6.783 16.463 2.742 1.00 25.00 H new ATOM 0 HH TYR A 54 7.868 17.004 4.571 1.00 25.00 H new ATOM 905 N GLN A 55 3.126 13.243 2.488 1.00 25.00 N ATOM 906 CA GLN A 55 2.371 14.206 3.274 1.00 25.00 C ATOM 907 C GLN A 55 1.145 13.527 3.881 1.00 25.00 C ATOM 908 O GLN A 55 0.728 13.863 4.984 1.00 25.00 O ATOM 909 CB GLN A 55 1.940 15.408 2.435 1.00 25.00 C ATOM 910 CG GLN A 55 3.097 16.089 1.739 1.00 25.00 C ATOM 911 CD GLN A 55 2.708 17.394 1.095 1.00 25.00 C ATOM 912 OE1 GLN A 55 1.554 17.652 0.831 1.00 25.00 O ATOM 913 NE2 GLN A 55 3.684 18.229 0.855 1.00 25.00 N ATOM 0 H GLN A 55 3.029 13.340 1.477 1.00 25.00 H new ATOM 0 HA GLN A 55 3.020 14.573 4.069 1.00 25.00 H new ATOM 0 HB2 GLN A 55 1.215 15.082 1.689 1.00 25.00 H new ATOM 0 HB3 GLN A 55 1.434 16.129 3.077 1.00 25.00 H new ATOM 0 HG2 GLN A 55 3.893 16.269 2.461 1.00 25.00 H new ATOM 0 HG3 GLN A 55 3.501 15.421 0.979 1.00 25.00 H new ATOM 0 HE21 GLN A 55 4.643 17.974 1.092 1.00 25.00 H new ATOM 0 HE22 GLN A 55 3.487 19.135 0.431 1.00 25.00 H new ATOM 922 N VAL A 56 0.593 12.549 3.170 1.00 25.00 N ATOM 923 CA VAL A 56 -0.521 11.759 3.677 1.00 25.00 C ATOM 924 C VAL A 56 -0.073 10.949 4.886 1.00 25.00 C ATOM 925 O VAL A 56 -0.830 10.839 5.868 1.00 25.00 O ATOM 926 CB VAL A 56 -1.076 10.792 2.565 1.00 25.00 C ATOM 927 CG1 VAL A 56 -2.106 9.833 3.146 1.00 25.00 C ATOM 928 CG2 VAL A 56 -1.720 11.633 1.455 1.00 25.00 C ATOM 0 H VAL A 56 0.902 12.284 2.235 1.00 25.00 H new ATOM 0 HA VAL A 56 -1.319 12.441 3.971 1.00 25.00 H new ATOM 0 HB VAL A 56 -0.253 10.203 2.162 1.00 25.00 H new ATOM 0 HG11 VAL A 56 -2.475 9.175 2.359 1.00 25.00 H new ATOM 0 HG12 VAL A 56 -1.644 9.235 3.932 1.00 25.00 H new ATOM 0 HG13 VAL A 56 -2.937 10.401 3.563 1.00 25.00 H new ATOM 0 HG21 VAL A 56 -2.108 10.974 0.678 1.00 25.00 H new ATOM 0 HG22 VAL A 56 -2.536 12.223 1.872 1.00 25.00 H new ATOM 0 HG23 VAL A 56 -0.973 12.300 1.025 1.00 25.00 H new ATOM 938 N GLN A 57 1.155 10.440 4.874 1.00 25.00 N ATOM 939 CA GLN A 57 1.653 9.695 6.016 1.00 25.00 C ATOM 940 C GLN A 57 1.758 10.602 7.233 1.00 25.00 C ATOM 941 O GLN A 57 1.331 10.230 8.316 1.00 25.00 O ATOM 942 CB GLN A 57 3.022 9.089 5.726 1.00 25.00 C ATOM 943 CG GLN A 57 2.954 7.664 5.206 1.00 25.00 C ATOM 944 CD GLN A 57 4.116 6.834 5.689 1.00 25.00 C ATOM 945 OE1 GLN A 57 5.267 7.188 5.513 1.00 25.00 O ATOM 946 NE2 GLN A 57 3.813 5.717 6.322 1.00 25.00 N ATOM 0 H GLN A 57 1.811 10.529 4.098 1.00 25.00 H new ATOM 0 HA GLN A 57 0.947 8.889 6.216 1.00 25.00 H new ATOM 0 HB2 GLN A 57 3.538 9.710 4.994 1.00 25.00 H new ATOM 0 HB3 GLN A 57 3.619 9.107 6.638 1.00 25.00 H new ATOM 0 HG2 GLN A 57 2.020 7.204 5.529 1.00 25.00 H new ATOM 0 HG3 GLN A 57 2.944 7.675 4.116 1.00 25.00 H new ATOM 0 HE21 GLN A 57 2.836 5.453 6.451 1.00 25.00 H new ATOM 0 HE22 GLN A 57 4.555 5.118 6.683 1.00 25.00 H new ATOM 955 N LEU A 58 2.279 11.803 7.031 1.00 25.00 N ATOM 956 CA LEU A 58 2.388 12.763 8.118 1.00 25.00 C ATOM 957 C LEU A 58 0.993 13.185 8.602 1.00 25.00 C ATOM 958 O LEU A 58 0.780 13.394 9.790 1.00 25.00 O ATOM 959 CB LEU A 58 3.177 13.983 7.662 1.00 25.00 C ATOM 960 CG LEU A 58 4.676 13.786 7.404 1.00 25.00 C ATOM 961 CD1 LEU A 58 5.226 15.109 6.858 1.00 25.00 C ATOM 962 CD2 LEU A 58 5.444 13.378 8.667 1.00 25.00 C ATOM 0 H LEU A 58 2.630 12.134 6.132 1.00 25.00 H new ATOM 0 HA LEU A 58 2.915 12.292 8.947 1.00 25.00 H new ATOM 0 HB2 LEU A 58 2.722 14.358 6.745 1.00 25.00 H new ATOM 0 HB3 LEU A 58 3.062 14.762 8.416 1.00 25.00 H new ATOM 0 HG LEU A 58 4.808 12.972 6.691 1.00 25.00 H new ATOM 0 HD11 LEU A 58 6.293 15.006 6.662 1.00 25.00 H new ATOM 0 HD12 LEU A 58 4.710 15.363 5.932 1.00 25.00 H new ATOM 0 HD13 LEU A 58 5.066 15.900 7.591 1.00 25.00 H new ATOM 0 HD21 LEU A 58 6.500 13.252 8.426 1.00 25.00 H new ATOM 0 HD22 LEU A 58 5.335 14.153 9.426 1.00 25.00 H new ATOM 0 HD23 LEU A 58 5.044 12.438 9.048 1.00 25.00 H new ATOM 974 N ALA A 59 0.036 13.284 7.687 1.00 25.00 N ATOM 975 CA ALA A 59 -1.342 13.652 8.041 1.00 25.00 C ATOM 976 C ALA A 59 -1.935 12.626 8.991 1.00 25.00 C ATOM 977 O ALA A 59 -2.609 12.978 9.968 1.00 25.00 O ATOM 978 CB ALA A 59 -2.204 13.766 6.793 1.00 25.00 C ATOM 0 H ALA A 59 0.183 13.116 6.692 1.00 25.00 H new ATOM 0 HA ALA A 59 -1.320 14.622 8.538 1.00 25.00 H new ATOM 0 HB1 ALA A 59 -3.220 14.039 7.077 1.00 25.00 H new ATOM 0 HB2 ALA A 59 -1.793 14.532 6.135 1.00 25.00 H new ATOM 0 HB3 ALA A 59 -2.218 12.809 6.272 1.00 25.00 H new ATOM 984 N GLN A 60 -1.690 11.350 8.725 1.00 25.00 N ATOM 985 CA GLN A 60 -2.200 10.309 9.590 1.00 25.00 C ATOM 986 C GLN A 60 -1.480 10.347 10.954 1.00 25.00 C ATOM 987 O GLN A 60 -2.100 10.104 11.984 1.00 25.00 O ATOM 988 CB GLN A 60 -2.062 8.920 8.951 1.00 25.00 C ATOM 989 CG GLN A 60 -2.977 8.740 7.749 1.00 25.00 C ATOM 990 CD GLN A 60 -3.073 7.292 7.299 1.00 25.00 C ATOM 991 OE1 GLN A 60 -2.101 6.568 7.302 1.00 25.00 O ATOM 992 NE2 GLN A 60 -4.272 6.876 6.914 1.00 25.00 N ATOM 0 H GLN A 60 -1.148 11.019 7.927 1.00 25.00 H new ATOM 0 HA GLN A 60 -3.263 10.497 9.742 1.00 25.00 H new ATOM 0 HB2 GLN A 60 -1.028 8.766 8.643 1.00 25.00 H new ATOM 0 HB3 GLN A 60 -2.290 8.157 9.695 1.00 25.00 H new ATOM 0 HG2 GLN A 60 -3.973 9.106 7.997 1.00 25.00 H new ATOM 0 HG3 GLN A 60 -2.610 9.350 6.923 1.00 25.00 H new ATOM 0 HE21 GLN A 60 -5.064 7.519 6.927 1.00 25.00 H new ATOM 0 HE22 GLN A 60 -4.403 5.913 6.605 1.00 25.00 H new ATOM 1001 N GLN A 61 -0.188 10.688 10.972 1.00 25.00 N ATOM 1002 CA GLN A 61 0.555 10.752 12.235 1.00 25.00 C ATOM 1003 C GLN A 61 0.013 11.860 13.129 1.00 25.00 C ATOM 1004 O GLN A 61 -0.218 11.641 14.306 1.00 25.00 O ATOM 1005 CB GLN A 61 2.053 11.004 12.013 1.00 25.00 C ATOM 1006 CG GLN A 61 2.789 9.853 11.329 1.00 25.00 C ATOM 1007 CD GLN A 61 4.117 9.536 12.004 1.00 25.00 C ATOM 1008 OE1 GLN A 61 4.997 10.377 12.108 1.00 25.00 O ATOM 1009 NE2 GLN A 61 4.268 8.314 12.448 1.00 25.00 N ATOM 0 H GLN A 61 0.358 10.920 10.142 1.00 25.00 H new ATOM 0 HA GLN A 61 0.425 9.782 12.714 1.00 25.00 H new ATOM 0 HB2 GLN A 61 2.173 11.905 11.411 1.00 25.00 H new ATOM 0 HB3 GLN A 61 2.524 11.199 12.977 1.00 25.00 H new ATOM 0 HG2 GLN A 61 2.158 8.964 11.338 1.00 25.00 H new ATOM 0 HG3 GLN A 61 2.966 10.108 10.284 1.00 25.00 H new ATOM 0 HE21 GLN A 61 3.512 7.637 12.345 1.00 25.00 H new ATOM 0 HE22 GLN A 61 5.141 8.039 12.897 1.00 25.00 H new ATOM 1018 N GLN A 62 -0.206 13.050 12.589 1.00 25.00 N ATOM 1019 CA GLN A 62 -0.700 14.155 13.401 1.00 25.00 C ATOM 1020 C GLN A 62 -2.135 13.921 13.841 1.00 25.00 C ATOM 1021 O GLN A 62 -2.520 14.333 14.935 1.00 25.00 O ATOM 1022 CB GLN A 62 -0.545 15.496 12.659 1.00 25.00 C ATOM 1023 CG GLN A 62 -1.337 15.617 11.363 1.00 25.00 C ATOM 1024 CD GLN A 62 -1.058 16.921 10.629 1.00 25.00 C ATOM 1025 OE1 GLN A 62 -0.074 17.599 10.883 1.00 25.00 O ATOM 1026 NE2 GLN A 62 -1.927 17.284 9.718 1.00 25.00 N ATOM 0 H GLN A 62 -0.052 13.275 11.606 1.00 25.00 H new ATOM 0 HA GLN A 62 -0.091 14.205 14.304 1.00 25.00 H new ATOM 0 HB2 GLN A 62 -0.850 16.300 13.328 1.00 25.00 H new ATOM 0 HB3 GLN A 62 0.511 15.649 12.436 1.00 25.00 H new ATOM 0 HG2 GLN A 62 -1.092 14.778 10.712 1.00 25.00 H new ATOM 0 HG3 GLN A 62 -2.402 15.549 11.584 1.00 25.00 H new ATOM 0 HE21 GLN A 62 -2.740 16.698 9.526 1.00 25.00 H new ATOM 0 HE22 GLN A 62 -1.791 18.152 9.200 1.00 25.00 H new ATOM 1035 N ALA A 63 -2.892 13.184 13.031 1.00 25.00 N ATOM 1036 CA ALA A 63 -4.254 12.810 13.399 1.00 25.00 C ATOM 1037 C ALA A 63 -4.303 11.891 14.610 1.00 25.00 C ATOM 1038 O ALA A 63 -5.240 11.937 15.380 1.00 25.00 O ATOM 1039 CB ALA A 63 -4.944 12.165 12.212 1.00 25.00 C ATOM 0 H ALA A 63 -2.587 12.836 12.122 1.00 25.00 H new ATOM 0 HA ALA A 63 -4.780 13.722 13.680 1.00 25.00 H new ATOM 0 HB1 ALA A 63 -5.961 11.887 12.489 1.00 25.00 H new ATOM 0 HB2 ALA A 63 -4.975 12.870 11.382 1.00 25.00 H new ATOM 0 HB3 ALA A 63 -4.393 11.274 11.911 1.00 25.00 H new ATOM 1045 N ALA A 64 -3.277 11.073 14.793 1.00 25.00 N ATOM 1046 CA ALA A 64 -3.221 10.180 15.952 1.00 25.00 C ATOM 1047 C ALA A 64 -2.541 10.853 17.154 1.00 25.00 C ATOM 1048 O ALA A 64 -2.773 10.503 18.301 1.00 25.00 O ATOM 1049 CB ALA A 64 -2.460 8.899 15.571 1.00 25.00 C ATOM 0 H ALA A 64 -2.477 11.005 14.164 1.00 25.00 H new ATOM 0 HA ALA A 64 -4.242 9.936 16.244 1.00 25.00 H new ATOM 0 HB1 ALA A 64 -2.417 8.232 16.432 1.00 25.00 H new ATOM 0 HB2 ALA A 64 -2.976 8.400 14.751 1.00 25.00 H new ATOM 0 HB3 ALA A 64 -1.448 9.156 15.260 1.00 25.00 H new ATOM 1055 N LEU A 65 -1.651 11.795 16.873 1.00 25.00 N ATOM 1056 CA LEU A 65 -0.874 12.441 17.925 1.00 25.00 C ATOM 1057 C LEU A 65 -1.702 13.516 18.607 1.00 25.00 C ATOM 1058 O LEU A 65 -1.681 13.642 19.831 1.00 25.00 O ATOM 1059 CB LEU A 65 0.401 13.081 17.352 1.00 25.00 C ATOM 1060 CG LEU A 65 1.579 12.128 17.081 1.00 25.00 C ATOM 1061 CD1 LEU A 65 2.644 12.850 16.257 1.00 25.00 C ATOM 1062 CD2 LEU A 65 2.206 11.618 18.414 1.00 25.00 C ATOM 0 H LEU A 65 -1.449 12.129 15.931 1.00 25.00 H new ATOM 0 HA LEU A 65 -0.595 11.676 18.649 1.00 25.00 H new ATOM 0 HB2 LEU A 65 0.143 13.581 16.418 1.00 25.00 H new ATOM 0 HB3 LEU A 65 0.737 13.853 18.044 1.00 25.00 H new ATOM 0 HG LEU A 65 1.203 11.268 16.527 1.00 25.00 H new ATOM 0 HD11 LEU A 65 3.477 12.173 16.066 1.00 25.00 H new ATOM 0 HD12 LEU A 65 2.214 13.172 15.309 1.00 25.00 H new ATOM 0 HD13 LEU A 65 3.002 13.720 16.807 1.00 25.00 H new ATOM 0 HD21 LEU A 65 3.036 10.947 18.192 1.00 25.00 H new ATOM 0 HD22 LEU A 65 2.570 12.467 18.993 1.00 25.00 H new ATOM 0 HD23 LEU A 65 1.451 11.083 18.990 1.00 25.00 H new ATOM 1074 N GLN A 66 -2.413 14.291 17.788 1.00 25.00 N ATOM 1075 CA GLN A 66 -3.264 15.394 18.245 1.00 25.00 C ATOM 1076 C GLN A 66 -2.596 16.284 19.324 1.00 25.00 C ATOM 1077 O GLN A 66 -3.201 16.644 20.324 1.00 25.00 O ATOM 1078 CB GLN A 66 -4.586 14.822 18.740 1.00 25.00 C ATOM 1079 CG GLN A 66 -5.340 14.061 17.670 1.00 25.00 C ATOM 1080 CD GLN A 66 -6.779 13.739 18.049 1.00 25.00 C ATOM 1081 OE1 GLN A 66 -7.081 12.747 18.691 1.00 25.00 O ATOM 1082 NE2 GLN A 66 -7.690 14.605 17.625 1.00 25.00 N ATOM 0 H GLN A 66 -2.415 14.170 16.775 1.00 25.00 H new ATOM 0 HA GLN A 66 -3.436 16.056 17.396 1.00 25.00 H new ATOM 0 HB2 GLN A 66 -4.395 14.159 19.583 1.00 25.00 H new ATOM 0 HB3 GLN A 66 -5.212 15.635 19.109 1.00 25.00 H new ATOM 0 HG2 GLN A 66 -5.338 14.646 16.750 1.00 25.00 H new ATOM 0 HG3 GLN A 66 -4.812 13.131 17.458 1.00 25.00 H new ATOM 0 HE21 GLN A 66 -7.404 15.425 17.090 1.00 25.00 H new ATOM 0 HE22 GLN A 66 -8.676 14.451 17.834 1.00 25.00 H new ATOM 1091 N LYS A 67 -1.323 16.613 19.131 1.00 25.00 N ATOM 1092 CA LYS A 67 -0.531 17.339 20.146 1.00 25.00 C ATOM 1093 C LYS A 67 -0.747 18.847 20.159 1.00 25.00 C ATOM 1094 O LYS A 67 0.140 19.620 20.498 1.00 25.00 O ATOM 1095 CB LYS A 67 0.957 16.995 19.974 1.00 25.00 C ATOM 1096 CG LYS A 67 1.545 16.217 21.165 1.00 25.00 C ATOM 1097 CD LYS A 67 0.906 14.830 21.270 1.00 25.00 C ATOM 1098 CE LYS A 67 1.342 14.061 22.490 1.00 25.00 C ATOM 1099 NZ LYS A 67 0.564 12.767 22.551 1.00 25.00 N ATOM 0 H LYS A 67 -0.806 16.392 18.280 1.00 25.00 H new ATOM 0 HA LYS A 67 -0.889 17.001 21.119 1.00 25.00 H new ATOM 0 HB2 LYS A 67 1.084 16.405 19.066 1.00 25.00 H new ATOM 0 HB3 LYS A 67 1.522 17.917 19.837 1.00 25.00 H new ATOM 0 HG2 LYS A 67 2.624 16.118 21.045 1.00 25.00 H new ATOM 0 HG3 LYS A 67 1.376 16.772 22.088 1.00 25.00 H new ATOM 0 HD2 LYS A 67 -0.179 14.938 21.286 1.00 25.00 H new ATOM 0 HD3 LYS A 67 1.156 14.255 20.379 1.00 25.00 H new ATOM 0 HE2 LYS A 67 2.412 13.857 22.446 1.00 25.00 H new ATOM 0 HE3 LYS A 67 1.167 14.650 23.390 1.00 25.00 H new ATOM 0 HZ1 LYS A 67 0.856 12.226 23.390 1.00 25.00 H new ATOM 0 HZ2 LYS A 67 -0.453 12.976 22.610 1.00 25.00 H new ATOM 0 HZ3 LYS A 67 0.753 12.208 21.695 1.00 25.00 H new ATOM 1113 N GLN A 68 -1.951 19.262 19.817 1.00 25.00 N ATOM 1114 CA GLN A 68 -2.342 20.668 19.865 1.00 25.00 C ATOM 1115 C GLN A 68 -3.599 20.752 20.733 1.00 25.00 C ATOM 1116 O GLN A 68 -4.717 20.842 20.241 1.00 25.00 O ATOM 1117 CB GLN A 68 -2.612 21.191 18.438 1.00 25.00 C ATOM 1118 CG GLN A 68 -1.385 21.233 17.542 1.00 25.00 C ATOM 1119 CD GLN A 68 -0.354 22.227 18.026 1.00 25.00 C ATOM 1120 OE1 GLN A 68 -0.640 23.393 18.190 1.00 25.00 O ATOM 1121 NE2 GLN A 68 0.833 21.752 18.284 1.00 25.00 N ATOM 0 H GLN A 68 -2.691 18.637 19.497 1.00 25.00 H new ATOM 0 HA GLN A 68 -1.550 21.286 20.289 1.00 25.00 H new ATOM 0 HB2 GLN A 68 -3.367 20.560 17.970 1.00 25.00 H new ATOM 0 HB3 GLN A 68 -3.032 22.194 18.505 1.00 25.00 H new ATOM 0 HG2 GLN A 68 -0.936 20.241 17.497 1.00 25.00 H new ATOM 0 HG3 GLN A 68 -1.688 21.492 16.527 1.00 25.00 H new ATOM 0 HE21 GLN A 68 1.031 20.763 18.131 1.00 25.00 H new ATOM 0 HE22 GLN A 68 1.563 22.369 18.638 1.00 25.00 H new ATOM 1130 N GLN A 69 -3.399 20.658 22.052 1.00 25.00 N ATOM 1131 CA GLN A 69 -4.499 20.647 23.030 1.00 25.00 C ATOM 1132 C GLN A 69 -4.428 21.868 23.949 1.00 25.00 C ATOM 1133 O GLN A 69 -3.503 22.147 24.677 1.00 25.00 O ATOM 1134 CB GLN A 69 -4.541 19.320 23.834 1.00 25.00 C ATOM 1135 CG GLN A 69 -5.993 18.763 23.886 1.00 25.00 C ATOM 1136 CD GLN A 69 -6.927 19.729 24.580 1.00 25.00 C ATOM 1137 OE1 GLN A 69 -6.789 20.099 25.714 1.00 25.00 O ATOM 1138 NE2 GLN A 69 -7.925 20.199 23.852 1.00 25.00 N ATOM 1139 OXT GLN A 69 -5.468 22.635 23.867 1.00 25.00 O ATOM 0 H GLN A 69 -2.473 20.587 22.474 1.00 25.00 H new ATOM 0 HA GLN A 69 -5.435 20.707 22.475 1.00 25.00 H new ATOM 0 HB2 GLN A 69 -3.880 18.587 23.372 1.00 25.00 H new ATOM 0 HB3 GLN A 69 -4.173 19.489 24.846 1.00 25.00 H new ATOM 0 HG2 GLN A 69 -6.349 18.574 22.873 1.00 25.00 H new ATOM 0 HG3 GLN A 69 -6.000 17.807 24.410 1.00 25.00 H new ATOM 0 HE21 GLN A 69 -8.045 19.887 22.888 1.00 25.00 H new ATOM 0 HE22 GLN A 69 -8.575 20.874 24.254 1.00 25.00 H new TER 1149 GLN A 69