USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=12 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 -128:sc= 0.111 USER MOD Set 1.2: A 50 MET CE :methyl 172:sc= -0.171 (180deg=-0.295) USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.0152) USER MOD Single : A 1 MET N :NH3+ 170:sc= 0 (180deg=-0.0663) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 3 GLN : amide:sc= -0.259 K(o=-0.26,f=-2.7!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 8 MET CE :methyl -172:sc= 0 (180deg=-0.0448) USER MOD Single : A 12 ASN : amide:sc= -0.436 K(o=-0.44,f=-2) USER MOD Single : A 13 SER OG : rot 72:sc= 0.444 USER MOD Single : A 14 GLN : amide:sc= 0.338 X(o=0.34,f=0) USER MOD Single : A 15 THR OG1 : rot -70:sc= 1.21 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 20 GLN : amide:sc= -0.952 X(o=-0.95,f=-1.3) USER MOD Single : A 21 GLN : amide:sc= 0.122 X(o=0.12,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 26 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.14) 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= -0.0935 X(o=-0.093,f=-0.12) USER MOD Single : A 34 GLN : amide:sc= 0.7 K(o=0.7,f=-0.55) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.00091) USER MOD Single : A 42 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.4) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 45 HIS : no HD1:sc=-0.00381 X(o=-0.0038,f=-0.077) USER MOD Single : A 47 GLN : amide:sc= -0.0598 X(o=-0.06,f=-0.53) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.04) 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 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.99!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.506 -6.446 0.161 1.00 25.00 N ATOM 2 CA MET A 1 3.432 -6.143 -0.837 1.00 25.00 C ATOM 3 C MET A 1 3.568 -4.755 -1.461 1.00 25.00 C ATOM 4 O MET A 1 2.687 -3.943 -1.590 1.00 25.00 O ATOM 5 CB MET A 1 2.060 -6.371 -0.176 1.00 25.00 C ATOM 6 CG MET A 1 1.004 -6.794 -1.222 1.00 25.00 C ATOM 7 SD MET A 1 -0.619 -7.256 -0.460 1.00 25.00 S ATOM 8 CE MET A 1 -0.224 -8.888 0.241 1.00 25.00 C ATOM 0 H1 MET A 1 4.269 -7.321 0.671 1.00 25.00 H new ATOM 0 H2 MET A 1 5.414 -6.567 -0.332 1.00 25.00 H new ATOM 0 H3 MET A 1 4.582 -5.661 0.839 1.00 25.00 H new ATOM 0 HA MET A 1 3.536 -6.827 -1.679 1.00 25.00 H new ATOM 0 HB2 MET A 1 2.146 -7.141 0.591 1.00 25.00 H new ATOM 0 HB3 MET A 1 1.737 -5.458 0.323 1.00 25.00 H new ATOM 0 HG2 MET A 1 0.850 -5.976 -1.926 1.00 25.00 H new ATOM 0 HG3 MET A 1 1.385 -7.640 -1.794 1.00 25.00 H new ATOM 0 HE1 MET A 1 -1.120 -9.319 0.688 1.00 25.00 H new ATOM 0 HE2 MET A 1 0.139 -9.545 -0.549 1.00 25.00 H new ATOM 0 HE3 MET A 1 0.546 -8.779 1.005 1.00 25.00 H new ATOM 19 N GLN A 2 4.820 -4.469 -1.824 1.00 25.00 N ATOM 20 CA GLN A 2 5.238 -3.202 -2.401 1.00 25.00 C ATOM 21 C GLN A 2 5.528 -3.343 -3.901 1.00 25.00 C ATOM 22 O GLN A 2 6.658 -3.600 -4.308 1.00 25.00 O ATOM 23 CB GLN A 2 6.488 -2.684 -1.680 1.00 25.00 C ATOM 24 CG GLN A 2 6.290 -2.429 -0.185 1.00 25.00 C ATOM 25 CD GLN A 2 7.557 -1.934 0.480 1.00 25.00 C ATOM 26 OE1 GLN A 2 8.305 -1.173 -0.097 1.00 25.00 O ATOM 27 NE2 GLN A 2 7.799 -2.370 1.683 1.00 25.00 N ATOM 0 H GLN A 2 5.587 -5.134 -1.720 1.00 25.00 H new ATOM 0 HA GLN A 2 4.422 -2.490 -2.275 1.00 25.00 H new ATOM 0 HB2 GLN A 2 7.294 -3.406 -1.810 1.00 25.00 H new ATOM 0 HB3 GLN A 2 6.810 -1.758 -2.155 1.00 25.00 H new ATOM 0 HG2 GLN A 2 5.497 -1.695 -0.045 1.00 25.00 H new ATOM 0 HG3 GLN A 2 5.962 -3.349 0.299 1.00 25.00 H new ATOM 0 HE21 GLN A 2 7.145 -3.009 2.135 1.00 25.00 H new ATOM 0 HE22 GLN A 2 8.642 -2.072 2.173 1.00 25.00 H new ATOM 36 N GLN A 3 4.503 -3.167 -4.725 1.00 25.00 N ATOM 37 CA GLN A 3 4.658 -3.301 -6.179 1.00 25.00 C ATOM 38 C GLN A 3 4.351 -1.988 -6.894 1.00 25.00 C ATOM 39 O GLN A 3 3.196 -1.674 -7.163 1.00 25.00 O ATOM 40 CB GLN A 3 3.729 -4.407 -6.710 1.00 25.00 C ATOM 41 CG GLN A 3 4.265 -5.823 -6.502 1.00 25.00 C ATOM 42 CD GLN A 3 4.335 -6.236 -5.041 1.00 25.00 C ATOM 43 OE1 GLN A 3 3.408 -6.062 -4.282 1.00 25.00 O ATOM 44 NE2 GLN A 3 5.453 -6.797 -4.651 1.00 25.00 N ATOM 0 H GLN A 3 3.558 -2.932 -4.420 1.00 25.00 H new ATOM 0 HA GLN A 3 5.696 -3.566 -6.380 1.00 25.00 H new ATOM 0 HB2 GLN A 3 2.760 -4.321 -6.218 1.00 25.00 H new ATOM 0 HB3 GLN A 3 3.561 -4.246 -7.775 1.00 25.00 H new ATOM 0 HG2 GLN A 3 3.629 -6.526 -7.040 1.00 25.00 H new ATOM 0 HG3 GLN A 3 5.261 -5.894 -6.940 1.00 25.00 H new ATOM 0 HE21 GLN A 3 6.216 -6.930 -5.315 1.00 25.00 H new ATOM 0 HE22 GLN A 3 5.561 -7.101 -3.683 1.00 25.00 H new ATOM 53 N LYS A 4 5.388 -1.240 -7.252 1.00 25.00 N ATOM 54 CA LYS A 4 5.222 0.042 -7.963 1.00 25.00 C ATOM 55 C LYS A 4 4.439 -0.061 -9.267 1.00 25.00 C ATOM 56 O LYS A 4 3.773 0.879 -9.658 1.00 25.00 O ATOM 57 CB LYS A 4 6.590 0.691 -8.245 1.00 25.00 C ATOM 58 CG LYS A 4 7.537 -0.103 -9.180 1.00 25.00 C ATOM 59 CD LYS A 4 8.800 0.712 -9.545 1.00 25.00 C ATOM 60 CE LYS A 4 9.777 0.894 -8.375 1.00 25.00 C ATOM 61 NZ LYS A 4 10.944 1.746 -8.802 1.00 25.00 N ATOM 0 H LYS A 4 6.359 -1.492 -7.065 1.00 25.00 H new ATOM 0 HA LYS A 4 4.633 0.665 -7.290 1.00 25.00 H new ATOM 0 HB2 LYS A 4 6.420 1.675 -8.682 1.00 25.00 H new ATOM 0 HB3 LYS A 4 7.098 0.849 -7.294 1.00 25.00 H new ATOM 0 HG2 LYS A 4 7.832 -1.033 -8.694 1.00 25.00 H new ATOM 0 HG3 LYS A 4 7.004 -0.375 -10.091 1.00 25.00 H new ATOM 0 HD2 LYS A 4 9.318 0.215 -10.365 1.00 25.00 H new ATOM 0 HD3 LYS A 4 8.496 1.693 -9.909 1.00 25.00 H new ATOM 0 HE2 LYS A 4 9.265 1.360 -7.533 1.00 25.00 H new ATOM 0 HE3 LYS A 4 10.132 -0.078 -8.033 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 11.599 1.863 -8.003 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 11.440 1.285 -9.592 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 10.600 2.679 -9.107 1.00 25.00 H new ATOM 75 N GLN A 5 4.512 -1.205 -9.923 1.00 25.00 N ATOM 76 CA GLN A 5 3.816 -1.381 -11.192 1.00 25.00 C ATOM 77 C GLN A 5 2.291 -1.337 -11.056 1.00 25.00 C ATOM 78 O GLN A 5 1.611 -0.940 -11.982 1.00 25.00 O ATOM 79 CB GLN A 5 4.226 -2.697 -11.845 1.00 25.00 C ATOM 80 CG GLN A 5 5.710 -2.745 -12.255 1.00 25.00 C ATOM 81 CD GLN A 5 6.063 -4.011 -13.017 1.00 25.00 C ATOM 82 OE1 GLN A 5 5.214 -4.830 -13.295 1.00 25.00 O ATOM 83 NE2 GLN A 5 7.310 -4.164 -13.359 1.00 25.00 N ATOM 0 H GLN A 5 5.038 -2.019 -9.606 1.00 25.00 H new ATOM 0 HA GLN A 5 4.110 -0.539 -11.819 1.00 25.00 H new ATOM 0 HB2 GLN A 5 4.022 -3.515 -11.154 1.00 25.00 H new ATOM 0 HB3 GLN A 5 3.608 -2.863 -12.727 1.00 25.00 H new ATOM 0 HG2 GLN A 5 5.941 -1.877 -12.872 1.00 25.00 H new ATOM 0 HG3 GLN A 5 6.332 -2.676 -11.363 1.00 25.00 H new ATOM 0 HE21 GLN A 5 7.998 -3.454 -13.108 1.00 25.00 H new ATOM 0 HE22 GLN A 5 7.598 -4.994 -13.878 1.00 25.00 H new ATOM 92 N GLN A 6 1.762 -1.702 -9.900 1.00 25.00 N ATOM 93 CA GLN A 6 0.316 -1.632 -9.681 1.00 25.00 C ATOM 94 C GLN A 6 -0.132 -0.183 -9.591 1.00 25.00 C ATOM 95 O GLN A 6 -1.181 0.182 -10.127 1.00 25.00 O ATOM 96 CB GLN A 6 -0.052 -2.347 -8.390 1.00 25.00 C ATOM 97 CG GLN A 6 0.143 -3.856 -8.467 1.00 25.00 C ATOM 98 CD GLN A 6 -0.261 -4.547 -7.180 1.00 25.00 C ATOM 99 OE1 GLN A 6 0.203 -4.188 -6.119 1.00 25.00 O ATOM 100 NE2 GLN A 6 -1.122 -5.531 -7.272 1.00 25.00 N ATOM 0 H GLN A 6 2.299 -2.046 -9.104 1.00 25.00 H new ATOM 0 HA GLN A 6 -0.183 -2.115 -10.521 1.00 25.00 H new ATOM 0 HB2 GLN A 6 0.554 -1.949 -7.576 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -1.093 -2.133 -8.147 1.00 25.00 H new ATOM 0 HG2 GLN A 6 -0.445 -4.256 -9.293 1.00 25.00 H new ATOM 0 HG3 GLN A 6 1.188 -4.076 -8.684 1.00 25.00 H new ATOM 0 HE21 GLN A 6 -1.490 -5.803 -8.184 1.00 25.00 H new ATOM 0 HE22 GLN A 6 -1.424 -6.024 -6.432 1.00 25.00 H new ATOM 109 N ILE A 7 0.679 0.644 -8.953 1.00 25.00 N ATOM 110 CA ILE A 7 0.380 2.058 -8.824 1.00 25.00 C ATOM 111 C ILE A 7 0.479 2.679 -10.205 1.00 25.00 C ATOM 112 O ILE A 7 -0.380 3.449 -10.614 1.00 25.00 O ATOM 113 CB ILE A 7 1.386 2.744 -7.856 1.00 25.00 C ATOM 114 CG1 ILE A 7 1.349 2.078 -6.471 1.00 25.00 C ATOM 115 CG2 ILE A 7 1.097 4.248 -7.730 1.00 25.00 C ATOM 116 CD1 ILE A 7 2.603 2.319 -5.648 1.00 25.00 C ATOM 0 H ILE A 7 1.554 0.357 -8.514 1.00 25.00 H new ATOM 0 HA ILE A 7 -0.621 2.193 -8.413 1.00 25.00 H new ATOM 0 HB ILE A 7 2.385 2.623 -8.275 1.00 25.00 H new ATOM 0 HG12 ILE A 7 0.486 2.451 -5.920 1.00 25.00 H new ATOM 0 HG13 ILE A 7 1.207 1.005 -6.597 1.00 25.00 H new ATOM 0 HG21 ILE A 7 1.816 4.701 -7.047 1.00 25.00 H new ATOM 0 HG22 ILE A 7 1.181 4.718 -8.710 1.00 25.00 H new ATOM 0 HG23 ILE A 7 0.088 4.394 -7.344 1.00 25.00 H new ATOM 0 HD11 ILE A 7 2.507 1.820 -4.684 1.00 25.00 H new ATOM 0 HD12 ILE A 7 3.468 1.921 -6.178 1.00 25.00 H new ATOM 0 HD13 ILE A 7 2.735 3.390 -5.491 1.00 25.00 H new ATOM 128 N MET A 8 1.500 2.292 -10.956 1.00 25.00 N ATOM 129 CA MET A 8 1.678 2.781 -12.322 1.00 25.00 C ATOM 130 C MET A 8 0.479 2.401 -13.178 1.00 25.00 C ATOM 131 O MET A 8 0.002 3.218 -13.930 1.00 25.00 O ATOM 132 CB MET A 8 2.960 2.205 -12.944 1.00 25.00 C ATOM 133 CG MET A 8 4.238 2.855 -12.413 1.00 25.00 C ATOM 134 SD MET A 8 4.449 4.537 -13.008 1.00 25.00 S ATOM 135 CE MET A 8 4.963 4.309 -14.694 1.00 25.00 C ATOM 0 H MET A 8 2.220 1.640 -10.645 1.00 25.00 H new ATOM 0 HA MET A 8 1.764 3.867 -12.285 1.00 25.00 H new ATOM 0 HB2 MET A 8 2.999 1.133 -12.750 1.00 25.00 H new ATOM 0 HB3 MET A 8 2.919 2.332 -14.026 1.00 25.00 H new ATOM 0 HG2 MET A 8 4.215 2.858 -11.323 1.00 25.00 H new ATOM 0 HG3 MET A 8 5.098 2.256 -12.712 1.00 25.00 H new ATOM 0 HE1 MET A 8 5.259 5.269 -15.117 1.00 25.00 H new ATOM 0 HE2 MET A 8 5.809 3.622 -14.727 1.00 25.00 H new ATOM 0 HE3 MET A 8 4.137 3.896 -15.273 1.00 25.00 H new ATOM 145 N ALA A 9 -0.039 1.186 -13.053 1.00 25.00 N ATOM 146 CA ALA A 9 -1.201 0.785 -13.849 1.00 25.00 C ATOM 147 C ALA A 9 -2.422 1.676 -13.542 1.00 25.00 C ATOM 148 O ALA A 9 -3.168 2.063 -14.458 1.00 25.00 O ATOM 149 CB ALA A 9 -1.530 -0.689 -13.598 1.00 25.00 C ATOM 0 H ALA A 9 0.317 0.469 -12.421 1.00 25.00 H new ATOM 0 HA ALA A 9 -0.953 0.914 -14.903 1.00 25.00 H new ATOM 0 HB1 ALA A 9 -2.396 -0.975 -14.195 1.00 25.00 H new ATOM 0 HB2 ALA A 9 -0.676 -1.305 -13.878 1.00 25.00 H new ATOM 0 HB3 ALA A 9 -1.753 -0.837 -12.541 1.00 25.00 H new ATOM 155 N ALA A 10 -2.599 2.009 -12.278 1.00 25.00 N ATOM 156 CA ALA A 10 -3.697 2.883 -11.859 1.00 25.00 C ATOM 157 C ALA A 10 -3.496 4.300 -12.416 1.00 25.00 C ATOM 158 O ALA A 10 -4.430 4.917 -12.945 1.00 25.00 O ATOM 159 CB ALA A 10 -3.778 2.914 -10.343 1.00 25.00 C ATOM 0 H ALA A 10 -2.000 1.691 -11.516 1.00 25.00 H new ATOM 0 HA ALA A 10 -4.634 2.491 -12.255 1.00 25.00 H new ATOM 0 HB1 ALA A 10 -4.596 3.565 -10.036 1.00 25.00 H new ATOM 0 HB2 ALA A 10 -3.956 1.906 -9.967 1.00 25.00 H new ATOM 0 HB3 ALA A 10 -2.840 3.293 -9.936 1.00 25.00 H new ATOM 165 N LEU A 11 -2.272 4.813 -12.313 1.00 25.00 N ATOM 166 CA LEU A 11 -1.950 6.150 -12.820 1.00 25.00 C ATOM 167 C LEU A 11 -2.108 6.186 -14.329 1.00 25.00 C ATOM 168 O LEU A 11 -2.626 7.143 -14.893 1.00 25.00 O ATOM 169 CB LEU A 11 -0.510 6.542 -12.454 1.00 25.00 C ATOM 170 CG LEU A 11 -0.190 6.766 -10.964 1.00 25.00 C ATOM 171 CD1 LEU A 11 1.290 7.104 -10.836 1.00 25.00 C ATOM 172 CD2 LEU A 11 -1.025 7.876 -10.348 1.00 25.00 C ATOM 0 H LEU A 11 -1.486 4.326 -11.884 1.00 25.00 H new ATOM 0 HA LEU A 11 -2.637 6.860 -12.360 1.00 25.00 H new ATOM 0 HB2 LEU A 11 0.156 5.764 -12.827 1.00 25.00 H new ATOM 0 HB3 LEU A 11 -0.264 7.457 -12.992 1.00 25.00 H new ATOM 0 HG LEU A 11 -0.433 5.852 -10.423 1.00 25.00 H new ATOM 0 HD11 LEU A 11 1.537 7.266 -9.787 1.00 25.00 H new ATOM 0 HD12 LEU A 11 1.887 6.279 -11.226 1.00 25.00 H new ATOM 0 HD13 LEU A 11 1.507 8.009 -11.404 1.00 25.00 H new ATOM 0 HD21 LEU A 11 -0.759 7.991 -9.297 1.00 25.00 H new ATOM 0 HD22 LEU A 11 -0.834 8.811 -10.875 1.00 25.00 H new ATOM 0 HD23 LEU A 11 -2.082 7.624 -10.429 1.00 25.00 H new ATOM 184 N ASN A 12 -1.690 5.127 -15.001 1.00 25.00 N ATOM 185 CA ASN A 12 -1.781 5.060 -16.458 1.00 25.00 C ATOM 186 C ASN A 12 -3.224 5.163 -16.902 1.00 25.00 C ATOM 187 O ASN A 12 -3.512 5.780 -17.909 1.00 25.00 O ATOM 188 CB ASN A 12 -1.190 3.742 -16.994 1.00 25.00 C ATOM 189 CG ASN A 12 0.311 3.660 -16.821 1.00 25.00 C ATOM 190 OD1 ASN A 12 0.956 4.573 -16.319 1.00 25.00 O ATOM 191 ND2 ASN A 12 0.875 2.572 -17.260 1.00 25.00 N ATOM 0 H ASN A 12 -1.283 4.299 -14.565 1.00 25.00 H new ATOM 0 HA ASN A 12 -1.208 5.896 -16.859 1.00 25.00 H new ATOM 0 HB2 ASN A 12 -1.657 2.903 -16.478 1.00 25.00 H new ATOM 0 HB3 ASN A 12 -1.435 3.642 -18.051 1.00 25.00 H new ATOM 0 HD21 ASN A 12 1.886 2.459 -17.192 1.00 25.00 H new ATOM 0 HD22 ASN A 12 0.306 1.833 -17.672 1.00 25.00 H new ATOM 198 N SER A 13 -4.130 4.542 -16.162 1.00 25.00 N ATOM 199 CA SER A 13 -5.541 4.539 -16.558 1.00 25.00 C ATOM 200 C SER A 13 -6.170 5.919 -16.412 1.00 25.00 C ATOM 201 O SER A 13 -6.934 6.351 -17.267 1.00 25.00 O ATOM 202 CB SER A 13 -6.322 3.532 -15.714 1.00 25.00 C ATOM 203 OG SER A 13 -5.813 2.228 -15.895 1.00 25.00 O ATOM 0 H SER A 13 -3.925 4.040 -15.298 1.00 25.00 H new ATOM 0 HA SER A 13 -5.586 4.254 -17.609 1.00 25.00 H new ATOM 0 HB2 SER A 13 -6.262 3.808 -14.661 1.00 25.00 H new ATOM 0 HB3 SER A 13 -7.376 3.558 -15.991 1.00 25.00 H new ATOM 0 HG SER A 13 -4.942 2.152 -15.451 1.00 25.00 H new ATOM 209 N GLN A 14 -5.856 6.624 -15.335 1.00 25.00 N ATOM 210 CA GLN A 14 -6.475 7.931 -15.089 1.00 25.00 C ATOM 211 C GLN A 14 -5.869 9.053 -15.939 1.00 25.00 C ATOM 212 O GLN A 14 -6.508 10.071 -16.162 1.00 25.00 O ATOM 213 CB GLN A 14 -6.426 8.275 -13.586 1.00 25.00 C ATOM 214 CG GLN A 14 -5.062 8.578 -13.022 1.00 25.00 C ATOM 215 CD GLN A 14 -5.041 8.476 -11.512 1.00 25.00 C ATOM 216 OE1 GLN A 14 -5.117 9.466 -10.802 1.00 25.00 O ATOM 217 NE2 GLN A 14 -4.928 7.271 -11.018 1.00 25.00 N ATOM 0 H GLN A 14 -5.188 6.325 -14.624 1.00 25.00 H new ATOM 0 HA GLN A 14 -7.517 7.852 -15.398 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -7.070 9.137 -13.410 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -6.851 7.440 -13.028 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -4.333 7.886 -13.443 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -4.759 9.581 -13.322 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -4.867 6.467 -11.643 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -4.901 7.135 -10.008 1.00 25.00 H new ATOM 226 N THR A 15 -4.660 8.850 -16.443 1.00 25.00 N ATOM 227 CA THR A 15 -3.992 9.860 -17.261 1.00 25.00 C ATOM 228 C THR A 15 -4.005 9.485 -18.733 1.00 25.00 C ATOM 229 O THR A 15 -3.449 10.201 -19.567 1.00 25.00 O ATOM 230 CB THR A 15 -2.523 10.015 -16.822 1.00 25.00 C ATOM 231 OG1 THR A 15 -1.860 8.753 -16.961 1.00 25.00 O ATOM 232 CG2 THR A 15 -2.428 10.474 -15.366 1.00 25.00 C ATOM 0 H THR A 15 -4.119 7.997 -16.302 1.00 25.00 H new ATOM 0 HA THR A 15 -4.536 10.794 -17.122 1.00 25.00 H new ATOM 0 HB THR A 15 -2.050 10.768 -17.452 1.00 25.00 H new ATOM 0 HG1 THR A 15 -2.195 8.131 -16.282 1.00 25.00 H new ATOM 0 HG21 THR A 15 -1.380 10.575 -15.084 1.00 25.00 H new ATOM 0 HG22 THR A 15 -2.928 11.436 -15.254 1.00 25.00 H new ATOM 0 HG23 THR A 15 -2.908 9.739 -14.721 1.00 25.00 H new ATOM 240 N ALA A 16 -4.638 8.364 -19.057 1.00 25.00 N ATOM 241 CA ALA A 16 -4.604 7.797 -20.407 1.00 25.00 C ATOM 242 C ALA A 16 -4.884 8.797 -21.531 1.00 25.00 C ATOM 243 O ALA A 16 -4.013 9.070 -22.347 1.00 25.00 O ATOM 244 CB ALA A 16 -5.604 6.614 -20.496 1.00 25.00 C ATOM 0 H ALA A 16 -5.190 7.820 -18.394 1.00 25.00 H new ATOM 0 HA ALA A 16 -3.579 7.462 -20.564 1.00 25.00 H new ATOM 0 HB1 ALA A 16 -5.579 6.191 -21.500 1.00 25.00 H new ATOM 0 HB2 ALA A 16 -5.326 5.847 -19.773 1.00 25.00 H new ATOM 0 HB3 ALA A 16 -6.610 6.971 -20.277 1.00 25.00 H new ATOM 250 N VAL A 17 -6.104 9.303 -21.601 1.00 25.00 N ATOM 251 CA VAL A 17 -6.483 10.166 -22.718 1.00 25.00 C ATOM 252 C VAL A 17 -5.802 11.530 -22.613 1.00 25.00 C ATOM 253 O VAL A 17 -5.515 12.178 -23.620 1.00 25.00 O ATOM 254 CB VAL A 17 -8.034 10.266 -22.832 1.00 25.00 C ATOM 255 CG1 VAL A 17 -8.632 11.142 -21.718 1.00 25.00 C ATOM 256 CG2 VAL A 17 -8.423 10.787 -24.204 1.00 25.00 C ATOM 0 H VAL A 17 -6.840 9.138 -20.914 1.00 25.00 H new ATOM 0 HA VAL A 17 -6.128 9.718 -23.646 1.00 25.00 H new ATOM 0 HB VAL A 17 -8.447 9.265 -22.707 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -9.715 11.187 -21.832 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -8.387 10.713 -20.747 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -8.218 12.148 -21.785 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -9.509 10.853 -24.274 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -7.989 11.775 -24.354 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -8.051 10.107 -24.970 1.00 25.00 H new ATOM 266 N GLN A 18 -5.478 11.941 -21.396 1.00 25.00 N ATOM 267 CA GLN A 18 -4.784 13.209 -21.177 1.00 25.00 C ATOM 268 C GLN A 18 -3.418 13.174 -21.855 1.00 25.00 C ATOM 269 O GLN A 18 -3.059 14.082 -22.595 1.00 25.00 O ATOM 270 CB GLN A 18 -4.628 13.459 -19.671 1.00 25.00 C ATOM 271 CG GLN A 18 -4.119 14.858 -19.317 1.00 25.00 C ATOM 272 CD GLN A 18 -3.993 15.062 -17.816 1.00 25.00 C ATOM 273 OE1 GLN A 18 -4.094 14.133 -17.051 1.00 25.00 O ATOM 274 NE2 GLN A 18 -3.771 16.285 -17.408 1.00 25.00 N ATOM 0 H GLN A 18 -5.682 11.419 -20.544 1.00 25.00 H new ATOM 0 HA GLN A 18 -5.368 14.022 -21.610 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -5.592 13.302 -19.186 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -3.940 12.720 -19.261 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -3.148 15.019 -19.786 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -4.799 15.605 -19.727 1.00 25.00 H new ATOM 0 HE21 GLN A 18 -3.692 17.043 -18.086 1.00 25.00 H new ATOM 0 HE22 GLN A 18 -3.677 16.481 -16.411 1.00 25.00 H new ATOM 283 N PHE A 19 -2.664 12.106 -21.623 1.00 25.00 N ATOM 284 CA PHE A 19 -1.338 11.968 -22.213 1.00 25.00 C ATOM 285 C PHE A 19 -1.444 11.601 -23.686 1.00 25.00 C ATOM 286 O PHE A 19 -0.597 11.990 -24.477 1.00 25.00 O ATOM 287 CB PHE A 19 -0.544 10.888 -21.470 1.00 25.00 C ATOM 288 CG PHE A 19 -0.147 11.258 -20.047 1.00 25.00 C ATOM 289 CD1 PHE A 19 -0.291 12.572 -19.537 1.00 25.00 C ATOM 290 CD2 PHE A 19 0.404 10.261 -19.215 1.00 25.00 C ATOM 291 CE1 PHE A 19 0.107 12.877 -18.204 1.00 25.00 C ATOM 292 CE2 PHE A 19 0.801 10.556 -17.897 1.00 25.00 C ATOM 293 CZ PHE A 19 0.647 11.859 -17.389 1.00 25.00 C ATOM 0 H PHE A 19 -2.947 11.325 -21.032 1.00 25.00 H new ATOM 0 HA PHE A 19 -0.820 12.923 -22.125 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -1.138 9.974 -21.441 1.00 25.00 H new ATOM 0 HB3 PHE A 19 0.359 10.664 -22.038 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -0.706 13.348 -20.164 1.00 25.00 H new ATOM 0 HD2 PHE A 19 0.523 9.257 -19.595 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -0.004 13.880 -17.819 1.00 25.00 H new ATOM 0 HE2 PHE A 19 1.224 9.781 -17.275 1.00 25.00 H new ATOM 0 HZ PHE A 19 0.942 12.081 -16.374 1.00 25.00 H new ATOM 303 N GLN A 20 -2.482 10.866 -24.067 1.00 25.00 N ATOM 304 CA GLN A 20 -2.650 10.461 -25.466 1.00 25.00 C ATOM 305 C GLN A 20 -2.824 11.666 -26.382 1.00 25.00 C ATOM 306 O GLN A 20 -2.155 11.775 -27.409 1.00 25.00 O ATOM 307 CB GLN A 20 -3.863 9.525 -25.605 1.00 25.00 C ATOM 308 CG GLN A 20 -3.946 8.819 -26.968 1.00 25.00 C ATOM 309 CD GLN A 20 -4.522 9.699 -28.064 1.00 25.00 C ATOM 310 OE1 GLN A 20 -5.503 10.398 -27.863 1.00 25.00 O ATOM 311 NE2 GLN A 20 -3.899 9.674 -29.219 1.00 25.00 N ATOM 0 H GLN A 20 -3.215 10.539 -23.438 1.00 25.00 H new ATOM 0 HA GLN A 20 -1.745 9.934 -25.768 1.00 25.00 H new ATOM 0 HB2 GLN A 20 -3.822 8.772 -24.818 1.00 25.00 H new ATOM 0 HB3 GLN A 20 -4.775 10.101 -25.448 1.00 25.00 H new ATOM 0 HG2 GLN A 20 -2.949 8.491 -27.261 1.00 25.00 H new ATOM 0 HG3 GLN A 20 -4.560 7.924 -26.869 1.00 25.00 H new ATOM 0 HE21 GLN A 20 -3.083 9.076 -29.345 1.00 25.00 H new ATOM 0 HE22 GLN A 20 -4.231 10.253 -29.990 1.00 25.00 H new ATOM 320 N GLN A 21 -3.711 12.581 -26.019 1.00 25.00 N ATOM 321 CA GLN A 21 -3.975 13.749 -26.856 1.00 25.00 C ATOM 322 C GLN A 21 -2.743 14.621 -26.960 1.00 25.00 C ATOM 323 O GLN A 21 -2.407 15.100 -28.037 1.00 25.00 O ATOM 324 CB GLN A 21 -5.137 14.561 -26.279 1.00 25.00 C ATOM 325 CG GLN A 21 -6.479 13.836 -26.350 1.00 25.00 C ATOM 326 CD GLN A 21 -7.572 14.575 -25.599 1.00 25.00 C ATOM 327 OE1 GLN A 21 -8.431 15.194 -26.185 1.00 25.00 O ATOM 328 NE2 GLN A 21 -7.532 14.502 -24.294 1.00 25.00 N ATOM 0 H GLN A 21 -4.257 12.541 -25.159 1.00 25.00 H new ATOM 0 HA GLN A 21 -4.242 13.401 -27.854 1.00 25.00 H new ATOM 0 HB2 GLN A 21 -4.919 14.805 -25.239 1.00 25.00 H new ATOM 0 HB3 GLN A 21 -5.214 15.505 -26.818 1.00 25.00 H new ATOM 0 HG2 GLN A 21 -6.772 13.720 -27.393 1.00 25.00 H new ATOM 0 HG3 GLN A 21 -6.370 12.833 -25.936 1.00 25.00 H new ATOM 0 HE21 GLN A 21 -6.792 13.970 -23.835 1.00 25.00 H new ATOM 0 HE22 GLN A 21 -8.241 14.977 -23.735 1.00 25.00 H new ATOM 337 N TYR A 22 -2.027 14.765 -25.847 1.00 25.00 N ATOM 338 CA TYR A 22 -0.792 15.539 -25.846 1.00 25.00 C ATOM 339 C TYR A 22 0.274 14.882 -26.727 1.00 25.00 C ATOM 340 O TYR A 22 0.948 15.551 -27.498 1.00 25.00 O ATOM 341 CB TYR A 22 -0.260 15.680 -24.426 1.00 25.00 C ATOM 342 CG TYR A 22 1.067 16.400 -24.359 1.00 25.00 C ATOM 343 CD1 TYR A 22 1.135 17.811 -24.461 1.00 25.00 C ATOM 344 CD2 TYR A 22 2.272 15.681 -24.221 1.00 25.00 C ATOM 345 CE1 TYR A 22 2.374 18.492 -24.397 1.00 25.00 C ATOM 346 CE2 TYR A 22 3.523 16.364 -24.148 1.00 25.00 C ATOM 347 CZ TYR A 22 3.552 17.750 -24.241 1.00 25.00 C ATOM 348 OH TYR A 22 4.765 18.401 -24.186 1.00 25.00 O ATOM 0 H TYR A 22 -2.278 14.360 -24.945 1.00 25.00 H new ATOM 0 HA TYR A 22 -1.017 16.525 -26.251 1.00 25.00 H new ATOM 0 HB2 TYR A 22 -0.990 16.219 -23.823 1.00 25.00 H new ATOM 0 HB3 TYR A 22 -0.152 14.689 -23.985 1.00 25.00 H new ATOM 0 HD1 TYR A 22 0.225 18.378 -24.590 1.00 25.00 H new ATOM 0 HD2 TYR A 22 2.248 14.602 -24.170 1.00 25.00 H new ATOM 0 HE1 TYR A 22 2.411 19.569 -24.467 1.00 25.00 H new ATOM 0 HE2 TYR A 22 4.440 15.808 -24.021 1.00 25.00 H new ATOM 0 HH TYR A 22 5.484 17.744 -24.074 1.00 25.00 H new ATOM 358 N ALA A 23 0.414 13.571 -26.624 1.00 25.00 N ATOM 359 CA ALA A 23 1.417 12.876 -27.426 1.00 25.00 C ATOM 360 C ALA A 23 1.096 12.997 -28.910 1.00 25.00 C ATOM 361 O ALA A 23 1.997 13.186 -29.726 1.00 25.00 O ATOM 362 CB ALA A 23 1.506 11.424 -27.015 1.00 25.00 C ATOM 0 H ALA A 23 -0.139 12.974 -26.009 1.00 25.00 H new ATOM 0 HA ALA A 23 2.385 13.344 -27.249 1.00 25.00 H new ATOM 0 HB1 ALA A 23 2.258 10.919 -27.622 1.00 25.00 H new ATOM 0 HB2 ALA A 23 1.786 11.360 -25.963 1.00 25.00 H new ATOM 0 HB3 ALA A 23 0.539 10.944 -27.163 1.00 25.00 H new ATOM 368 N ALA A 24 -0.179 12.932 -29.257 1.00 25.00 N ATOM 369 CA ALA A 24 -0.610 13.055 -30.645 1.00 25.00 C ATOM 370 C ALA A 24 -0.317 14.457 -31.165 1.00 25.00 C ATOM 371 O ALA A 24 -0.123 14.637 -32.366 1.00 25.00 O ATOM 372 CB ALA A 24 -2.100 12.713 -30.774 1.00 25.00 C ATOM 0 H ALA A 24 -0.941 12.794 -28.593 1.00 25.00 H new ATOM 0 HA ALA A 24 -0.050 12.345 -31.254 1.00 25.00 H new ATOM 0 HB1 ALA A 24 -2.407 12.809 -31.816 1.00 25.00 H new ATOM 0 HB2 ALA A 24 -2.269 11.689 -30.439 1.00 25.00 H new ATOM 0 HB3 ALA A 24 -2.685 13.397 -30.159 1.00 25.00 H new ATOM 378 N GLN A 25 -0.270 15.442 -30.282 1.00 25.00 N ATOM 379 CA GLN A 25 0.038 16.818 -30.666 1.00 25.00 C ATOM 380 C GLN A 25 1.540 17.028 -30.889 1.00 25.00 C ATOM 381 O GLN A 25 1.952 17.923 -31.619 1.00 25.00 O ATOM 382 CB GLN A 25 -0.426 17.772 -29.570 1.00 25.00 C ATOM 383 CG GLN A 25 -1.379 18.840 -30.060 1.00 25.00 C ATOM 384 CD GLN A 25 -1.853 19.764 -28.949 1.00 25.00 C ATOM 385 OE1 GLN A 25 -1.229 19.884 -27.906 1.00 25.00 O ATOM 386 NE2 GLN A 25 -2.943 20.444 -29.190 1.00 25.00 N ATOM 0 H GLN A 25 -0.442 15.316 -29.285 1.00 25.00 H new ATOM 0 HA GLN A 25 -0.483 17.019 -31.602 1.00 25.00 H new ATOM 0 HB2 GLN A 25 -0.912 17.197 -28.781 1.00 25.00 H new ATOM 0 HB3 GLN A 25 0.446 18.251 -29.124 1.00 25.00 H new ATOM 0 HG2 GLN A 25 -0.888 19.431 -30.833 1.00 25.00 H new ATOM 0 HG3 GLN A 25 -2.243 18.364 -30.524 1.00 25.00 H new ATOM 0 HE21 GLN A 25 -3.438 20.318 -30.073 1.00 25.00 H new ATOM 0 HE22 GLN A 25 -3.298 21.101 -28.495 1.00 25.00 H new ATOM 395 N GLN A 26 2.344 16.228 -30.205 1.00 25.00 N ATOM 396 CA GLN A 26 3.802 16.382 -30.250 1.00 25.00 C ATOM 397 C GLN A 26 4.393 15.544 -31.376 1.00 25.00 C ATOM 398 O GLN A 26 5.240 16.001 -32.116 1.00 25.00 O ATOM 399 CB GLN A 26 4.429 15.937 -28.926 1.00 25.00 C ATOM 400 CG GLN A 26 4.137 16.894 -27.766 1.00 25.00 C ATOM 401 CD GLN A 26 4.726 18.273 -28.003 1.00 25.00 C ATOM 402 OE1 GLN A 26 5.901 18.424 -28.286 1.00 25.00 O ATOM 403 NE2 GLN A 26 3.910 19.281 -27.868 1.00 25.00 N ATOM 0 H GLN A 26 2.019 15.465 -29.611 1.00 25.00 H new ATOM 0 HA GLN A 26 4.021 17.436 -30.424 1.00 25.00 H new ATOM 0 HB2 GLN A 26 4.057 14.944 -28.671 1.00 25.00 H new ATOM 0 HB3 GLN A 26 5.508 15.850 -29.054 1.00 25.00 H new ATOM 0 HG2 GLN A 26 3.059 16.979 -27.629 1.00 25.00 H new ATOM 0 HG3 GLN A 26 4.544 16.480 -26.843 1.00 25.00 H new ATOM 0 HE21 GLN A 26 2.932 19.117 -27.630 1.00 25.00 H new ATOM 0 HE22 GLN A 26 4.250 20.234 -28.000 1.00 25.00 H new ATOM 412 N TYR A 27 3.939 14.303 -31.480 1.00 25.00 N ATOM 413 CA TYR A 27 4.416 13.384 -32.527 1.00 25.00 C ATOM 414 C TYR A 27 3.236 12.904 -33.382 1.00 25.00 C ATOM 415 O TYR A 27 2.839 11.735 -33.306 1.00 25.00 O ATOM 416 CB TYR A 27 5.137 12.182 -31.899 1.00 25.00 C ATOM 417 CG TYR A 27 6.361 12.562 -31.091 1.00 25.00 C ATOM 418 CD1 TYR A 27 7.318 13.451 -31.610 1.00 25.00 C ATOM 419 CD2 TYR A 27 6.585 12.015 -29.806 1.00 25.00 C ATOM 420 CE1 TYR A 27 8.480 13.800 -30.862 1.00 25.00 C ATOM 421 CE2 TYR A 27 7.747 12.355 -29.055 1.00 25.00 C ATOM 422 CZ TYR A 27 8.686 13.248 -29.599 1.00 25.00 C ATOM 423 OH TYR A 27 9.805 13.586 -28.874 1.00 25.00 O ATOM 0 H TYR A 27 3.240 13.900 -30.856 1.00 25.00 H new ATOM 0 HA TYR A 27 5.122 13.917 -33.164 1.00 25.00 H new ATOM 0 HB2 TYR A 27 4.439 11.646 -31.255 1.00 25.00 H new ATOM 0 HB3 TYR A 27 5.434 11.493 -32.690 1.00 25.00 H new ATOM 0 HD1 TYR A 27 7.170 13.877 -32.592 1.00 25.00 H new ATOM 0 HD2 TYR A 27 5.864 11.329 -29.387 1.00 25.00 H new ATOM 0 HE1 TYR A 27 9.200 14.492 -31.274 1.00 25.00 H new ATOM 0 HE2 TYR A 27 7.905 11.930 -28.075 1.00 25.00 H new ATOM 0 HH TYR A 27 9.794 13.113 -28.016 1.00 25.00 H new ATOM 433 N PRO A 28 2.635 13.798 -34.189 1.00 25.00 N ATOM 434 CA PRO A 28 1.460 13.344 -34.934 1.00 25.00 C ATOM 435 C PRO A 28 1.803 12.314 -36.004 1.00 25.00 C ATOM 436 O PRO A 28 2.824 12.407 -36.676 1.00 25.00 O ATOM 437 CB PRO A 28 0.920 14.640 -35.551 1.00 25.00 C ATOM 438 CG PRO A 28 2.114 15.495 -35.708 1.00 25.00 C ATOM 439 CD PRO A 28 2.921 15.222 -34.470 1.00 25.00 C ATOM 0 HA PRO A 28 0.738 12.832 -34.298 1.00 25.00 H new ATOM 0 HB2 PRO A 28 0.436 14.453 -36.510 1.00 25.00 H new ATOM 0 HB3 PRO A 28 0.177 15.109 -34.905 1.00 25.00 H new ATOM 0 HG2 PRO A 28 2.670 15.242 -36.611 1.00 25.00 H new ATOM 0 HG3 PRO A 28 1.844 16.548 -35.784 1.00 25.00 H new ATOM 0 HD2 PRO A 28 3.984 15.394 -34.636 1.00 25.00 H new ATOM 0 HD3 PRO A 28 2.619 15.864 -33.643 1.00 25.00 H new ATOM 447 N GLY A 29 0.958 11.302 -36.117 1.00 25.00 N ATOM 448 CA GLY A 29 1.171 10.232 -37.082 1.00 25.00 C ATOM 449 C GLY A 29 2.135 9.140 -36.640 1.00 25.00 C ATOM 450 O GLY A 29 2.156 8.060 -37.230 1.00 25.00 O ATOM 0 H GLY A 29 0.116 11.198 -35.551 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.209 9.774 -37.310 1.00 25.00 H new ATOM 0 HA3 GLY A 29 1.543 10.669 -38.008 1.00 25.00 H new ATOM 454 N ASN A 30 2.926 9.392 -35.602 1.00 25.00 N ATOM 455 CA ASN A 30 3.954 8.434 -35.152 1.00 25.00 C ATOM 456 C ASN A 30 3.560 7.715 -33.878 1.00 25.00 C ATOM 457 O ASN A 30 3.921 8.131 -32.783 1.00 25.00 O ATOM 458 CB ASN A 30 5.282 9.147 -34.927 1.00 25.00 C ATOM 459 CG ASN A 30 6.014 9.429 -36.205 1.00 25.00 C ATOM 460 OD1 ASN A 30 5.922 10.515 -36.741 1.00 25.00 O ATOM 461 ND2 ASN A 30 6.745 8.470 -36.695 1.00 25.00 N ATOM 0 H ASN A 30 2.882 10.249 -35.051 1.00 25.00 H new ATOM 0 HA ASN A 30 4.053 7.691 -35.943 1.00 25.00 H new ATOM 0 HB2 ASN A 30 5.101 10.085 -34.403 1.00 25.00 H new ATOM 0 HB3 ASN A 30 5.912 8.537 -34.280 1.00 25.00 H new ATOM 0 HD21 ASN A 30 7.267 8.617 -37.559 1.00 25.00 H new ATOM 0 HD22 ASN A 30 6.796 7.572 -36.215 1.00 25.00 H new ATOM 468 N TYR A 31 2.830 6.615 -34.023 1.00 25.00 N ATOM 469 CA TYR A 31 2.365 5.843 -32.866 1.00 25.00 C ATOM 470 C TYR A 31 3.490 5.447 -31.921 1.00 25.00 C ATOM 471 O TYR A 31 3.383 5.639 -30.717 1.00 25.00 O ATOM 472 CB TYR A 31 1.659 4.567 -33.352 1.00 25.00 C ATOM 473 CG TYR A 31 1.338 3.583 -32.237 1.00 25.00 C ATOM 474 CD1 TYR A 31 0.208 3.759 -31.419 1.00 25.00 C ATOM 475 CD2 TYR A 31 2.167 2.463 -32.003 1.00 25.00 C ATOM 476 CE1 TYR A 31 -0.087 2.833 -30.371 1.00 25.00 C ATOM 477 CE2 TYR A 31 1.864 1.535 -30.963 1.00 25.00 C ATOM 478 CZ TYR A 31 0.742 1.731 -30.164 1.00 25.00 C ATOM 479 OH TYR A 31 0.444 0.843 -29.155 1.00 25.00 O ATOM 0 H TYR A 31 2.546 6.235 -34.926 1.00 25.00 H new ATOM 0 HA TYR A 31 1.682 6.488 -32.313 1.00 25.00 H new ATOM 0 HB2 TYR A 31 0.734 4.844 -33.857 1.00 25.00 H new ATOM 0 HB3 TYR A 31 2.290 4.072 -34.091 1.00 25.00 H new ATOM 0 HD1 TYR A 31 -0.444 4.604 -31.584 1.00 25.00 H new ATOM 0 HD2 TYR A 31 3.040 2.308 -32.619 1.00 25.00 H new ATOM 0 HE1 TYR A 31 -0.950 2.986 -29.741 1.00 25.00 H new ATOM 0 HE2 TYR A 31 2.504 0.682 -30.796 1.00 25.00 H new ATOM 0 HH TYR A 31 1.115 0.129 -29.139 1.00 25.00 H new ATOM 489 N GLU A 32 4.589 4.935 -32.447 1.00 25.00 N ATOM 490 CA GLU A 32 5.704 4.519 -31.595 1.00 25.00 C ATOM 491 C GLU A 32 6.267 5.668 -30.753 1.00 25.00 C ATOM 492 O GLU A 32 6.484 5.520 -29.559 1.00 25.00 O ATOM 493 CB GLU A 32 6.813 3.894 -32.452 1.00 25.00 C ATOM 494 CG GLU A 32 7.338 4.771 -33.603 1.00 25.00 C ATOM 495 CD GLU A 32 8.326 4.039 -34.488 1.00 25.00 C ATOM 496 OE1 GLU A 32 8.922 3.039 -34.043 1.00 25.00 O ATOM 497 OE2 GLU A 32 8.538 4.521 -35.622 1.00 25.00 O ATOM 0 H GLU A 32 4.739 4.796 -33.446 1.00 25.00 H new ATOM 0 HA GLU A 32 5.316 3.778 -30.897 1.00 25.00 H new ATOM 0 HB2 GLU A 32 7.650 3.640 -31.802 1.00 25.00 H new ATOM 0 HB3 GLU A 32 6.440 2.960 -32.872 1.00 25.00 H new ATOM 0 HG2 GLU A 32 6.498 5.112 -34.207 1.00 25.00 H new ATOM 0 HG3 GLU A 32 7.815 5.660 -33.190 1.00 25.00 H new ATOM 504 N GLN A 33 6.470 6.820 -31.362 1.00 25.00 N ATOM 505 CA GLN A 33 7.038 7.964 -30.647 1.00 25.00 C ATOM 506 C GLN A 33 6.054 8.520 -29.638 1.00 25.00 C ATOM 507 O GLN A 33 6.434 8.915 -28.525 1.00 25.00 O ATOM 508 CB GLN A 33 7.441 9.062 -31.611 1.00 25.00 C ATOM 509 CG GLN A 33 8.486 8.647 -32.634 1.00 25.00 C ATOM 510 CD GLN A 33 9.771 8.123 -32.008 1.00 25.00 C ATOM 511 OE1 GLN A 33 10.300 8.694 -31.073 1.00 25.00 O ATOM 512 NE2 GLN A 33 10.288 7.045 -32.549 1.00 25.00 N ATOM 0 H GLN A 33 6.254 6.996 -32.343 1.00 25.00 H new ATOM 0 HA GLN A 33 7.924 7.608 -30.121 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.553 9.410 -32.138 1.00 25.00 H new ATOM 0 HB3 GLN A 33 7.825 9.907 -31.040 1.00 25.00 H new ATOM 0 HG2 GLN A 33 8.065 7.877 -33.280 1.00 25.00 H new ATOM 0 HG3 GLN A 33 8.722 9.501 -33.268 1.00 25.00 H new ATOM 0 HE21 GLN A 33 9.817 6.592 -33.332 1.00 25.00 H new ATOM 0 HE22 GLN A 33 11.160 6.661 -32.186 1.00 25.00 H new ATOM 521 N GLN A 34 4.779 8.495 -29.992 1.00 25.00 N ATOM 522 CA GLN A 34 3.739 8.903 -29.054 1.00 25.00 C ATOM 523 C GLN A 34 3.809 8.027 -27.810 1.00 25.00 C ATOM 524 O GLN A 34 3.603 8.507 -26.697 1.00 25.00 O ATOM 525 CB GLN A 34 2.365 8.742 -29.690 1.00 25.00 C ATOM 526 CG GLN A 34 2.010 9.820 -30.676 1.00 25.00 C ATOM 527 CD GLN A 34 0.695 9.536 -31.392 1.00 25.00 C ATOM 528 OE1 GLN A 34 -0.153 8.799 -30.906 1.00 25.00 O ATOM 529 NE2 GLN A 34 0.524 10.120 -32.544 1.00 25.00 N ATOM 0 H GLN A 34 4.440 8.201 -30.908 1.00 25.00 H new ATOM 0 HA GLN A 34 3.895 9.949 -28.788 1.00 25.00 H new ATOM 0 HB2 GLN A 34 2.322 7.776 -30.194 1.00 25.00 H new ATOM 0 HB3 GLN A 34 1.612 8.725 -28.902 1.00 25.00 H new ATOM 0 HG2 GLN A 34 1.940 10.776 -30.157 1.00 25.00 H new ATOM 0 HG3 GLN A 34 2.809 9.915 -31.411 1.00 25.00 H new ATOM 0 HE21 GLN A 34 1.251 10.728 -32.920 1.00 25.00 H new ATOM 0 HE22 GLN A 34 -0.337 9.969 -33.070 1.00 25.00 H new ATOM 538 N GLN A 35 4.098 6.746 -27.992 1.00 25.00 N ATOM 539 CA GLN A 35 4.105 5.801 -26.868 1.00 25.00 C ATOM 540 C GLN A 35 5.338 6.012 -25.989 1.00 25.00 C ATOM 541 O GLN A 35 5.253 5.920 -24.773 1.00 25.00 O ATOM 542 CB GLN A 35 4.059 4.351 -27.372 1.00 25.00 C ATOM 543 CG GLN A 35 2.724 3.968 -28.022 1.00 25.00 C ATOM 544 CD GLN A 35 1.636 3.648 -27.026 1.00 25.00 C ATOM 545 OE1 GLN A 35 1.721 2.676 -26.301 1.00 25.00 O ATOM 546 NE2 GLN A 35 0.616 4.474 -26.978 1.00 25.00 N ATOM 0 H GLN A 35 4.330 6.333 -28.896 1.00 25.00 H new ATOM 0 HA GLN A 35 3.214 5.989 -26.269 1.00 25.00 H new ATOM 0 HB2 GLN A 35 4.861 4.201 -28.094 1.00 25.00 H new ATOM 0 HB3 GLN A 35 4.253 3.679 -26.536 1.00 25.00 H new ATOM 0 HG2 GLN A 35 2.392 4.787 -28.659 1.00 25.00 H new ATOM 0 HG3 GLN A 35 2.879 3.104 -28.668 1.00 25.00 H new ATOM 0 HE21 GLN A 35 0.582 5.279 -27.604 1.00 25.00 H new ATOM 0 HE22 GLN A 35 -0.142 4.311 -26.315 1.00 25.00 H new ATOM 555 N ILE A 36 6.464 6.347 -26.591 1.00 25.00 N ATOM 556 CA ILE A 36 7.680 6.656 -25.847 1.00 25.00 C ATOM 557 C ILE A 36 7.452 7.892 -24.975 1.00 25.00 C ATOM 558 O ILE A 36 7.816 7.901 -23.791 1.00 25.00 O ATOM 559 CB ILE A 36 8.866 6.931 -26.833 1.00 25.00 C ATOM 560 CG1 ILE A 36 9.154 5.660 -27.646 1.00 25.00 C ATOM 561 CG2 ILE A 36 10.131 7.387 -26.070 1.00 25.00 C ATOM 562 CD1 ILE A 36 10.008 5.891 -28.899 1.00 25.00 C ATOM 0 H ILE A 36 6.566 6.414 -27.604 1.00 25.00 H new ATOM 0 HA ILE A 36 7.930 5.802 -25.217 1.00 25.00 H new ATOM 0 HB ILE A 36 8.583 7.738 -27.509 1.00 25.00 H new ATOM 0 HG12 ILE A 36 9.660 4.939 -27.004 1.00 25.00 H new ATOM 0 HG13 ILE A 36 8.206 5.211 -27.944 1.00 25.00 H new ATOM 0 HG21 ILE A 36 10.938 7.570 -26.780 1.00 25.00 H new ATOM 0 HG22 ILE A 36 9.914 8.304 -25.522 1.00 25.00 H new ATOM 0 HG23 ILE A 36 10.434 6.609 -25.370 1.00 25.00 H new ATOM 0 HD11 ILE A 36 10.163 4.943 -29.413 1.00 25.00 H new ATOM 0 HD12 ILE A 36 9.496 6.586 -29.565 1.00 25.00 H new ATOM 0 HD13 ILE A 36 10.972 6.309 -28.610 1.00 25.00 H new ATOM 574 N LEU A 37 6.813 8.902 -25.543 1.00 25.00 N ATOM 575 CA LEU A 37 6.524 10.121 -24.802 1.00 25.00 C ATOM 576 C LEU A 37 5.587 9.823 -23.652 1.00 25.00 C ATOM 577 O LEU A 37 5.870 10.179 -22.526 1.00 25.00 O ATOM 578 CB LEU A 37 5.902 11.176 -25.723 1.00 25.00 C ATOM 579 CG LEU A 37 5.563 12.547 -25.107 1.00 25.00 C ATOM 580 CD1 LEU A 37 6.753 13.150 -24.338 1.00 25.00 C ATOM 581 CD2 LEU A 37 5.147 13.475 -26.231 1.00 25.00 C ATOM 0 H LEU A 37 6.486 8.903 -26.509 1.00 25.00 H new ATOM 0 HA LEU A 37 7.461 10.513 -24.405 1.00 25.00 H new ATOM 0 HB2 LEU A 37 6.586 11.341 -26.555 1.00 25.00 H new ATOM 0 HB3 LEU A 37 4.986 10.759 -26.141 1.00 25.00 H new ATOM 0 HG LEU A 37 4.756 12.419 -24.386 1.00 25.00 H new ATOM 0 HD11 LEU A 37 6.466 14.116 -23.922 1.00 25.00 H new ATOM 0 HD12 LEU A 37 7.042 12.478 -23.530 1.00 25.00 H new ATOM 0 HD13 LEU A 37 7.595 13.283 -25.017 1.00 25.00 H new ATOM 0 HD21 LEU A 37 4.901 14.455 -25.822 1.00 25.00 H new ATOM 0 HD22 LEU A 37 5.966 13.574 -26.943 1.00 25.00 H new ATOM 0 HD23 LEU A 37 4.274 13.064 -26.738 1.00 25.00 H new ATOM 593 N ILE A 38 4.489 9.120 -23.922 1.00 25.00 N ATOM 594 CA ILE A 38 3.523 8.771 -22.869 1.00 25.00 C ATOM 595 C ILE A 38 4.210 7.998 -21.731 1.00 25.00 C ATOM 596 O ILE A 38 3.951 8.256 -20.558 1.00 25.00 O ATOM 597 CB ILE A 38 2.329 7.950 -23.460 1.00 25.00 C ATOM 598 CG1 ILE A 38 1.490 8.877 -24.366 1.00 25.00 C ATOM 599 CG2 ILE A 38 1.427 7.345 -22.349 1.00 25.00 C ATOM 600 CD1 ILE A 38 0.584 8.153 -25.356 1.00 25.00 C ATOM 0 H ILE A 38 4.242 8.781 -24.852 1.00 25.00 H new ATOM 0 HA ILE A 38 3.124 9.697 -22.455 1.00 25.00 H new ATOM 0 HB ILE A 38 2.738 7.117 -24.033 1.00 25.00 H new ATOM 0 HG12 ILE A 38 0.876 9.519 -23.735 1.00 25.00 H new ATOM 0 HG13 ILE A 38 2.165 9.528 -24.922 1.00 25.00 H new ATOM 0 HG21 ILE A 38 0.612 6.784 -22.807 1.00 25.00 H new ATOM 0 HG22 ILE A 38 2.019 6.678 -21.723 1.00 25.00 H new ATOM 0 HG23 ILE A 38 1.016 8.148 -21.737 1.00 25.00 H new ATOM 0 HD11 ILE A 38 0.035 8.885 -25.948 1.00 25.00 H new ATOM 0 HD12 ILE A 38 1.189 7.532 -26.016 1.00 25.00 H new ATOM 0 HD13 ILE A 38 -0.120 7.524 -24.812 1.00 25.00 H new ATOM 612 N ARG A 39 5.129 7.095 -22.058 1.00 25.00 N ATOM 613 CA ARG A 39 5.877 6.367 -21.028 1.00 25.00 C ATOM 614 C ARG A 39 6.658 7.342 -20.156 1.00 25.00 C ATOM 615 O ARG A 39 6.676 7.209 -18.937 1.00 25.00 O ATOM 616 CB ARG A 39 6.819 5.337 -21.680 1.00 25.00 C ATOM 617 CG ARG A 39 7.523 4.363 -20.702 1.00 25.00 C ATOM 618 CD ARG A 39 8.814 4.934 -20.083 1.00 25.00 C ATOM 619 NE ARG A 39 9.828 5.261 -21.102 1.00 25.00 N ATOM 620 CZ ARG A 39 10.961 5.917 -20.871 1.00 25.00 C ATOM 621 NH1 ARG A 39 11.299 6.351 -19.676 1.00 25.00 N ATOM 622 NH2 ARG A 39 11.778 6.145 -21.867 1.00 25.00 N ATOM 0 H ARG A 39 5.375 6.848 -23.017 1.00 25.00 H new ATOM 0 HA ARG A 39 5.172 5.830 -20.393 1.00 25.00 H new ATOM 0 HB2 ARG A 39 6.246 4.751 -22.399 1.00 25.00 H new ATOM 0 HB3 ARG A 39 7.583 5.874 -22.243 1.00 25.00 H new ATOM 0 HG2 ARG A 39 6.831 4.102 -19.901 1.00 25.00 H new ATOM 0 HG3 ARG A 39 7.761 3.440 -21.231 1.00 25.00 H new ATOM 0 HD2 ARG A 39 8.574 5.831 -19.512 1.00 25.00 H new ATOM 0 HD3 ARG A 39 9.228 4.210 -19.381 1.00 25.00 H new ATOM 0 HE ARG A 39 9.646 4.960 -22.060 1.00 25.00 H new ATOM 0 HH11 ARG A 39 10.681 6.188 -18.881 1.00 25.00 H new ATOM 0 HH12 ARG A 39 12.179 6.850 -19.545 1.00 25.00 H new ATOM 0 HH21 ARG A 39 11.542 5.821 -22.805 1.00 25.00 H new ATOM 0 HH22 ARG A 39 12.651 6.647 -21.706 1.00 25.00 H new ATOM 636 N GLN A 40 7.300 8.333 -20.765 1.00 25.00 N ATOM 637 CA GLN A 40 8.049 9.335 -19.999 1.00 25.00 C ATOM 638 C GLN A 40 7.131 10.201 -19.144 1.00 25.00 C ATOM 639 O GLN A 40 7.469 10.509 -18.006 1.00 25.00 O ATOM 640 CB GLN A 40 8.865 10.237 -20.926 1.00 25.00 C ATOM 641 CG GLN A 40 10.035 9.526 -21.561 1.00 25.00 C ATOM 642 CD GLN A 40 10.837 10.444 -22.468 1.00 25.00 C ATOM 643 OE1 GLN A 40 10.633 10.471 -23.661 1.00 25.00 O ATOM 644 NE2 GLN A 40 11.773 11.166 -21.901 1.00 25.00 N ATOM 0 H GLN A 40 7.320 8.468 -21.776 1.00 25.00 H new ATOM 0 HA GLN A 40 8.721 8.784 -19.341 1.00 25.00 H new ATOM 0 HB2 GLN A 40 8.215 10.626 -21.709 1.00 25.00 H new ATOM 0 HB3 GLN A 40 9.231 11.094 -20.360 1.00 25.00 H new ATOM 0 HG2 GLN A 40 10.685 9.130 -20.781 1.00 25.00 H new ATOM 0 HG3 GLN A 40 9.672 8.674 -22.137 1.00 25.00 H new ATOM 0 HE21 GLN A 40 11.915 11.116 -20.892 1.00 25.00 H new ATOM 0 HE22 GLN A 40 12.360 11.778 -22.469 1.00 25.00 H new ATOM 653 N LEU A 41 5.971 10.570 -19.668 1.00 25.00 N ATOM 654 CA LEU A 41 5.002 11.365 -18.907 1.00 25.00 C ATOM 655 C LEU A 41 4.526 10.600 -17.685 1.00 25.00 C ATOM 656 O LEU A 41 4.397 11.174 -16.623 1.00 25.00 O ATOM 657 CB LEU A 41 3.790 11.760 -19.771 1.00 25.00 C ATOM 658 CG LEU A 41 4.065 12.573 -21.038 1.00 25.00 C ATOM 659 CD1 LEU A 41 2.769 12.797 -21.799 1.00 25.00 C ATOM 660 CD2 LEU A 41 4.741 13.904 -20.752 1.00 25.00 C ATOM 0 H LEU A 41 5.673 10.335 -20.615 1.00 25.00 H new ATOM 0 HA LEU A 41 5.509 12.276 -18.590 1.00 25.00 H new ATOM 0 HB2 LEU A 41 3.272 10.846 -20.063 1.00 25.00 H new ATOM 0 HB3 LEU A 41 3.103 12.331 -19.147 1.00 25.00 H new ATOM 0 HG LEU A 41 4.759 11.993 -21.646 1.00 25.00 H new ATOM 0 HD11 LEU A 41 2.971 13.376 -22.700 1.00 25.00 H new ATOM 0 HD12 LEU A 41 2.338 11.835 -22.076 1.00 25.00 H new ATOM 0 HD13 LEU A 41 2.066 13.341 -21.168 1.00 25.00 H new ATOM 0 HD21 LEU A 41 4.910 14.435 -21.689 1.00 25.00 H new ATOM 0 HD22 LEU A 41 4.102 14.505 -20.105 1.00 25.00 H new ATOM 0 HD23 LEU A 41 5.696 13.728 -20.257 1.00 25.00 H new ATOM 672 N GLN A 42 4.308 9.302 -17.832 1.00 25.00 N ATOM 673 CA GLN A 42 3.869 8.458 -16.723 1.00 25.00 C ATOM 674 C GLN A 42 4.958 8.345 -15.665 1.00 25.00 C ATOM 675 O GLN A 42 4.665 8.330 -14.474 1.00 25.00 O ATOM 676 CB GLN A 42 3.505 7.066 -17.239 1.00 25.00 C ATOM 677 CG GLN A 42 2.230 7.034 -18.083 1.00 25.00 C ATOM 678 CD GLN A 42 2.048 5.733 -18.848 1.00 25.00 C ATOM 679 OE1 GLN A 42 2.950 4.908 -18.933 1.00 25.00 O ATOM 680 NE2 GLN A 42 0.882 5.555 -19.428 1.00 25.00 N ATOM 0 H GLN A 42 4.428 8.804 -18.714 1.00 25.00 H new ATOM 0 HA GLN A 42 2.991 8.918 -16.269 1.00 25.00 H new ATOM 0 HB2 GLN A 42 4.333 6.681 -17.834 1.00 25.00 H new ATOM 0 HB3 GLN A 42 3.384 6.394 -16.389 1.00 25.00 H new ATOM 0 HG2 GLN A 42 1.369 7.189 -17.433 1.00 25.00 H new ATOM 0 HG3 GLN A 42 2.250 7.863 -18.790 1.00 25.00 H new ATOM 0 HE21 GLN A 42 0.153 6.263 -19.336 1.00 25.00 H new ATOM 0 HE22 GLN A 42 0.706 4.709 -19.970 1.00 25.00 H new ATOM 689 N GLU A 43 6.211 8.303 -16.096 1.00 25.00 N ATOM 690 CA GLU A 43 7.336 8.236 -15.171 1.00 25.00 C ATOM 691 C GLU A 43 7.449 9.557 -14.397 1.00 25.00 C ATOM 692 O GLU A 43 7.573 9.567 -13.180 1.00 25.00 O ATOM 693 CB GLU A 43 8.616 7.925 -15.965 1.00 25.00 C ATOM 694 CG GLU A 43 9.788 7.447 -15.118 1.00 25.00 C ATOM 695 CD GLU A 43 10.436 8.577 -14.321 1.00 25.00 C ATOM 696 OE1 GLU A 43 10.663 9.659 -14.896 1.00 25.00 O ATOM 697 OE2 GLU A 43 10.724 8.385 -13.118 1.00 25.00 O ATOM 0 H GLU A 43 6.475 8.314 -17.081 1.00 25.00 H new ATOM 0 HA GLU A 43 7.184 7.441 -14.441 1.00 25.00 H new ATOM 0 HB2 GLU A 43 8.389 7.163 -16.711 1.00 25.00 H new ATOM 0 HB3 GLU A 43 8.918 8.821 -16.507 1.00 25.00 H new ATOM 0 HG2 GLU A 43 9.444 6.674 -14.431 1.00 25.00 H new ATOM 0 HG3 GLU A 43 10.536 6.988 -15.765 1.00 25.00 H new ATOM 704 N GLN A 44 7.332 10.670 -15.110 1.00 25.00 N ATOM 705 CA GLN A 44 7.385 11.990 -14.490 1.00 25.00 C ATOM 706 C GLN A 44 6.209 12.183 -13.528 1.00 25.00 C ATOM 707 O GLN A 44 6.370 12.722 -12.421 1.00 25.00 O ATOM 708 CB GLN A 44 7.351 13.070 -15.579 1.00 25.00 C ATOM 709 CG GLN A 44 7.609 14.490 -15.067 1.00 25.00 C ATOM 710 CD GLN A 44 7.669 15.520 -16.178 1.00 25.00 C ATOM 711 OE1 GLN A 44 7.146 15.318 -17.254 1.00 25.00 O ATOM 712 NE2 GLN A 44 8.297 16.633 -15.911 1.00 25.00 N ATOM 0 H GLN A 44 7.199 10.686 -16.121 1.00 25.00 H new ATOM 0 HA GLN A 44 8.312 12.074 -13.922 1.00 25.00 H new ATOM 0 HB2 GLN A 44 8.096 12.829 -16.337 1.00 25.00 H new ATOM 0 HB3 GLN A 44 6.378 13.044 -16.069 1.00 25.00 H new ATOM 0 HG2 GLN A 44 6.821 14.766 -14.366 1.00 25.00 H new ATOM 0 HG3 GLN A 44 8.548 14.506 -14.514 1.00 25.00 H new ATOM 0 HE21 GLN A 44 8.726 16.770 -14.996 1.00 25.00 H new ATOM 0 HE22 GLN A 44 8.359 17.366 -16.618 1.00 25.00 H new ATOM 721 N HIS A 45 5.037 11.708 -13.937 1.00 25.00 N ATOM 722 CA HIS A 45 3.835 11.795 -13.110 1.00 25.00 C ATOM 723 C HIS A 45 4.002 10.963 -11.854 1.00 25.00 C ATOM 724 O HIS A 45 3.590 11.366 -10.769 1.00 25.00 O ATOM 725 CB HIS A 45 2.614 11.312 -13.894 1.00 25.00 C ATOM 726 CG HIS A 45 1.319 11.524 -13.185 1.00 25.00 C ATOM 727 ND1 HIS A 45 0.759 12.757 -12.936 1.00 25.00 N ATOM 728 CD2 HIS A 45 0.430 10.627 -12.673 1.00 25.00 C ATOM 729 CE1 HIS A 45 -0.392 12.570 -12.302 1.00 25.00 C ATOM 730 NE2 HIS A 45 -0.645 11.291 -12.124 1.00 25.00 N ATOM 0 H HIS A 45 4.892 11.257 -14.840 1.00 25.00 H new ATOM 0 HA HIS A 45 3.684 12.837 -12.828 1.00 25.00 H new ATOM 0 HB2 HIS A 45 2.581 11.830 -14.852 1.00 25.00 H new ATOM 0 HB3 HIS A 45 2.730 10.250 -14.110 1.00 25.00 H new ATOM 0 HD2 HIS A 45 0.550 9.554 -12.694 1.00 25.00 H new ATOM 0 HE1 HIS A 45 -1.040 13.369 -11.973 1.00 25.00 H new ATOM 0 HE2 HIS A 45 -1.463 10.879 -11.675 1.00 25.00 H new ATOM 738 N TYR A 46 4.642 9.809 -11.977 1.00 25.00 N ATOM 739 CA TYR A 46 4.884 8.947 -10.824 1.00 25.00 C ATOM 740 C TYR A 46 5.735 9.666 -9.780 1.00 25.00 C ATOM 741 O TYR A 46 5.452 9.572 -8.586 1.00 25.00 O ATOM 742 CB TYR A 46 5.598 7.662 -11.247 1.00 25.00 C ATOM 743 CG TYR A 46 5.652 6.615 -10.156 1.00 25.00 C ATOM 744 CD1 TYR A 46 4.621 5.672 -10.021 1.00 25.00 C ATOM 745 CD2 TYR A 46 6.734 6.567 -9.245 1.00 25.00 C ATOM 746 CE1 TYR A 46 4.665 4.683 -9.016 1.00 25.00 C ATOM 747 CE2 TYR A 46 6.761 5.593 -8.218 1.00 25.00 C ATOM 748 CZ TYR A 46 5.734 4.658 -8.109 1.00 25.00 C ATOM 749 OH TYR A 46 5.782 3.753 -7.094 1.00 25.00 O ATOM 0 H TYR A 46 5.003 9.447 -12.860 1.00 25.00 H new ATOM 0 HA TYR A 46 3.915 8.697 -10.392 1.00 25.00 H new ATOM 0 HB2 TYR A 46 5.091 7.243 -12.117 1.00 25.00 H new ATOM 0 HB3 TYR A 46 6.614 7.905 -11.557 1.00 25.00 H new ATOM 0 HD1 TYR A 46 3.780 5.704 -10.698 1.00 25.00 H new ATOM 0 HD2 TYR A 46 7.543 7.277 -9.334 1.00 25.00 H new ATOM 0 HE1 TYR A 46 3.878 3.947 -8.945 1.00 25.00 H new ATOM 0 HE2 TYR A 46 7.581 5.575 -7.516 1.00 25.00 H new ATOM 0 HH TYR A 46 5.933 4.220 -6.246 1.00 25.00 H new ATOM 759 N GLN A 47 6.747 10.412 -10.213 1.00 25.00 N ATOM 760 CA GLN A 47 7.591 11.148 -9.277 1.00 25.00 C ATOM 761 C GLN A 47 6.762 12.200 -8.543 1.00 25.00 C ATOM 762 O GLN A 47 6.843 12.332 -7.325 1.00 25.00 O ATOM 763 CB GLN A 47 8.754 11.836 -10.002 1.00 25.00 C ATOM 764 CG GLN A 47 9.764 10.890 -10.637 1.00 25.00 C ATOM 765 CD GLN A 47 10.941 11.640 -11.228 1.00 25.00 C ATOM 766 OE1 GLN A 47 11.450 12.585 -10.631 1.00 25.00 O ATOM 767 NE2 GLN A 47 11.377 11.239 -12.384 1.00 25.00 N ATOM 0 H GLN A 47 7.001 10.523 -11.195 1.00 25.00 H new ATOM 0 HA GLN A 47 8.000 10.434 -8.562 1.00 25.00 H new ATOM 0 HB2 GLN A 47 8.347 12.483 -10.778 1.00 25.00 H new ATOM 0 HB3 GLN A 47 9.276 12.478 -9.293 1.00 25.00 H new ATOM 0 HG2 GLN A 47 10.122 10.184 -9.888 1.00 25.00 H new ATOM 0 HG3 GLN A 47 9.275 10.307 -11.417 1.00 25.00 H new ATOM 0 HE21 GLN A 47 10.930 10.450 -12.852 1.00 25.00 H new ATOM 0 HE22 GLN A 47 12.166 11.713 -12.824 1.00 25.00 H new ATOM 776 N GLN A 48 5.953 12.946 -9.287 1.00 25.00 N ATOM 777 CA GLN A 48 5.095 13.977 -8.695 1.00 25.00 C ATOM 778 C GLN A 48 4.073 13.352 -7.728 1.00 25.00 C ATOM 779 O GLN A 48 3.827 13.883 -6.644 1.00 25.00 O ATOM 780 CB GLN A 48 4.369 14.745 -9.805 1.00 25.00 C ATOM 781 CG GLN A 48 3.630 15.987 -9.320 1.00 25.00 C ATOM 782 CD GLN A 48 3.037 16.785 -10.467 1.00 25.00 C ATOM 783 OE1 GLN A 48 2.455 16.232 -11.389 1.00 25.00 O ATOM 784 NE2 GLN A 48 3.188 18.083 -10.417 1.00 25.00 N ATOM 0 H GLN A 48 5.870 12.860 -10.300 1.00 25.00 H new ATOM 0 HA GLN A 48 5.721 14.666 -8.128 1.00 25.00 H new ATOM 0 HB2 GLN A 48 5.095 15.040 -10.563 1.00 25.00 H new ATOM 0 HB3 GLN A 48 3.656 14.077 -10.289 1.00 25.00 H new ATOM 0 HG2 GLN A 48 2.835 15.691 -8.636 1.00 25.00 H new ATOM 0 HG3 GLN A 48 4.316 16.619 -8.756 1.00 25.00 H new ATOM 0 HE21 GLN A 48 3.680 18.509 -9.632 1.00 25.00 H new ATOM 0 HE22 GLN A 48 2.814 18.669 -11.163 1.00 25.00 H new ATOM 793 N TYR A 49 3.517 12.214 -8.101 1.00 25.00 N ATOM 794 CA TYR A 49 2.558 11.484 -7.262 1.00 25.00 C ATOM 795 C TYR A 49 3.207 11.003 -5.970 1.00 25.00 C ATOM 796 O TYR A 49 2.646 11.168 -4.893 1.00 25.00 O ATOM 797 CB TYR A 49 2.016 10.277 -8.035 1.00 25.00 C ATOM 798 CG TYR A 49 0.911 9.540 -7.318 1.00 25.00 C ATOM 799 CD1 TYR A 49 -0.344 10.146 -7.117 1.00 25.00 C ATOM 800 CD2 TYR A 49 1.108 8.225 -6.853 1.00 25.00 C ATOM 801 CE1 TYR A 49 -1.394 9.455 -6.467 1.00 25.00 C ATOM 802 CE2 TYR A 49 0.052 7.523 -6.202 1.00 25.00 C ATOM 803 CZ TYR A 49 -1.179 8.146 -6.017 1.00 25.00 C ATOM 804 OH TYR A 49 -2.174 7.458 -5.377 1.00 25.00 O ATOM 0 H TYR A 49 3.712 11.761 -8.994 1.00 25.00 H new ATOM 0 HA TYR A 49 1.745 12.164 -7.007 1.00 25.00 H new ATOM 0 HB2 TYR A 49 1.646 10.614 -9.003 1.00 25.00 H new ATOM 0 HB3 TYR A 49 2.835 9.585 -8.230 1.00 25.00 H new ATOM 0 HD1 TYR A 49 -0.508 11.155 -7.465 1.00 25.00 H new ATOM 0 HD2 TYR A 49 2.066 7.745 -6.991 1.00 25.00 H new ATOM 0 HE1 TYR A 49 -2.352 9.932 -6.319 1.00 25.00 H new ATOM 0 HE2 TYR A 49 0.206 6.512 -5.854 1.00 25.00 H new ATOM 0 HH TYR A 49 -1.851 6.565 -5.135 1.00 25.00 H new ATOM 814 N MET A 50 4.408 10.455 -6.072 1.00 25.00 N ATOM 815 CA MET A 50 5.123 9.978 -4.890 1.00 25.00 C ATOM 816 C MET A 50 5.498 11.135 -3.981 1.00 25.00 C ATOM 817 O MET A 50 5.395 11.029 -2.775 1.00 25.00 O ATOM 818 CB MET A 50 6.381 9.207 -5.282 1.00 25.00 C ATOM 819 CG MET A 50 6.718 8.112 -4.286 1.00 25.00 C ATOM 820 SD MET A 50 6.302 6.461 -4.923 1.00 25.00 S ATOM 821 CE MET A 50 4.508 6.536 -5.117 1.00 25.00 C ATOM 0 H MET A 50 4.908 10.328 -6.952 1.00 25.00 H new ATOM 0 HA MET A 50 4.453 9.307 -4.353 1.00 25.00 H new ATOM 0 HB2 MET A 50 6.242 8.767 -6.270 1.00 25.00 H new ATOM 0 HB3 MET A 50 7.220 9.899 -5.356 1.00 25.00 H new ATOM 0 HG2 MET A 50 7.781 8.152 -4.049 1.00 25.00 H new ATOM 0 HG3 MET A 50 6.177 8.289 -3.356 1.00 25.00 H new ATOM 0 HE1 MET A 50 4.160 5.640 -5.631 1.00 25.00 H new ATOM 0 HE2 MET A 50 4.038 6.597 -4.135 1.00 25.00 H new ATOM 0 HE3 MET A 50 4.242 7.416 -5.702 1.00 25.00 H new ATOM 831 N GLN A 51 5.889 12.262 -4.568 1.00 25.00 N ATOM 832 CA GLN A 51 6.207 13.449 -3.777 1.00 25.00 C ATOM 833 C GLN A 51 4.959 13.937 -3.050 1.00 25.00 C ATOM 834 O GLN A 51 5.011 14.275 -1.884 1.00 25.00 O ATOM 835 CB GLN A 51 6.746 14.563 -4.677 1.00 25.00 C ATOM 836 CG GLN A 51 7.262 15.769 -3.903 1.00 25.00 C ATOM 837 CD GLN A 51 7.685 16.899 -4.819 1.00 25.00 C ATOM 838 OE1 GLN A 51 6.925 17.340 -5.664 1.00 25.00 O ATOM 839 NE2 GLN A 51 8.901 17.369 -4.658 1.00 25.00 N ATOM 0 H GLN A 51 5.993 12.380 -5.576 1.00 25.00 H new ATOM 0 HA GLN A 51 6.972 13.185 -3.047 1.00 25.00 H new ATOM 0 HB2 GLN A 51 7.552 14.164 -5.293 1.00 25.00 H new ATOM 0 HB3 GLN A 51 5.956 14.886 -5.355 1.00 25.00 H new ATOM 0 HG2 GLN A 51 6.485 16.124 -3.226 1.00 25.00 H new ATOM 0 HG3 GLN A 51 8.109 15.468 -3.286 1.00 25.00 H new ATOM 0 HE21 GLN A 51 9.509 16.975 -3.940 1.00 25.00 H new ATOM 0 HE22 GLN A 51 9.237 18.128 -5.251 1.00 25.00 H new ATOM 848 N GLN A 52 3.821 13.961 -3.731 1.00 25.00 N ATOM 849 CA GLN A 52 2.584 14.408 -3.099 1.00 25.00 C ATOM 850 C GLN A 52 2.239 13.485 -1.941 1.00 25.00 C ATOM 851 O GLN A 52 1.907 13.957 -0.861 1.00 25.00 O ATOM 852 CB GLN A 52 1.435 14.462 -4.111 1.00 25.00 C ATOM 853 CG GLN A 52 0.165 15.111 -3.545 1.00 25.00 C ATOM 854 CD GLN A 52 -0.837 15.465 -4.627 1.00 25.00 C ATOM 855 OE1 GLN A 52 -0.928 16.601 -5.044 1.00 25.00 O ATOM 856 NE2 GLN A 52 -1.600 14.494 -5.069 1.00 25.00 N ATOM 0 H GLN A 52 3.727 13.681 -4.707 1.00 25.00 H new ATOM 0 HA GLN A 52 2.733 15.418 -2.717 1.00 25.00 H new ATOM 0 HB2 GLN A 52 1.759 15.018 -4.991 1.00 25.00 H new ATOM 0 HB3 GLN A 52 1.202 13.450 -4.442 1.00 25.00 H new ATOM 0 HG2 GLN A 52 -0.300 14.430 -2.832 1.00 25.00 H new ATOM 0 HG3 GLN A 52 0.435 16.013 -2.995 1.00 25.00 H new ATOM 0 HE21 GLN A 52 -1.494 13.551 -4.694 1.00 25.00 H new ATOM 0 HE22 GLN A 52 -2.299 14.682 -5.788 1.00 25.00 H new ATOM 865 N LEU A 53 2.375 12.180 -2.128 1.00 25.00 N ATOM 866 CA LEU A 53 2.087 11.219 -1.062 1.00 25.00 C ATOM 867 C LEU A 53 3.030 11.388 0.125 1.00 25.00 C ATOM 868 O LEU A 53 2.633 11.165 1.261 1.00 25.00 O ATOM 869 CB LEU A 53 2.190 9.778 -1.568 1.00 25.00 C ATOM 870 CG LEU A 53 1.061 9.275 -2.485 1.00 25.00 C ATOM 871 CD1 LEU A 53 1.419 7.877 -2.970 1.00 25.00 C ATOM 872 CD2 LEU A 53 -0.289 9.224 -1.767 1.00 25.00 C ATOM 0 H LEU A 53 2.682 11.759 -3.005 1.00 25.00 H new ATOM 0 HA LEU A 53 1.066 11.420 -0.737 1.00 25.00 H new ATOM 0 HB2 LEU A 53 3.133 9.674 -2.105 1.00 25.00 H new ATOM 0 HB3 LEU A 53 2.242 9.118 -0.702 1.00 25.00 H new ATOM 0 HG LEU A 53 0.965 9.972 -3.318 1.00 25.00 H new ATOM 0 HD11 LEU A 53 0.629 7.505 -3.622 1.00 25.00 H new ATOM 0 HD12 LEU A 53 2.358 7.913 -3.522 1.00 25.00 H new ATOM 0 HD13 LEU A 53 1.527 7.211 -2.114 1.00 25.00 H new ATOM 0 HD21 LEU A 53 -1.054 8.863 -2.455 1.00 25.00 H new ATOM 0 HD22 LEU A 53 -0.222 8.550 -0.913 1.00 25.00 H new ATOM 0 HD23 LEU A 53 -0.555 10.223 -1.421 1.00 25.00 H new ATOM 884 N TYR A 54 4.249 11.837 -0.117 1.00 25.00 N ATOM 885 CA TYR A 54 5.193 12.110 0.968 1.00 25.00 C ATOM 886 C TYR A 54 4.730 13.307 1.827 1.00 25.00 C ATOM 887 O TYR A 54 4.888 13.314 3.048 1.00 25.00 O ATOM 888 CB TYR A 54 6.590 12.349 0.392 1.00 25.00 C ATOM 889 CG TYR A 54 7.352 13.479 1.041 1.00 25.00 C ATOM 890 CD1 TYR A 54 8.051 13.275 2.242 1.00 25.00 C ATOM 891 CD2 TYR A 54 7.358 14.768 0.465 1.00 25.00 C ATOM 892 CE1 TYR A 54 8.754 14.344 2.856 1.00 25.00 C ATOM 893 CE2 TYR A 54 8.052 15.829 1.080 1.00 25.00 C ATOM 894 CZ TYR A 54 8.753 15.613 2.264 1.00 25.00 C ATOM 895 OH TYR A 54 9.429 16.650 2.843 1.00 25.00 O ATOM 0 H TYR A 54 4.614 12.022 -1.051 1.00 25.00 H new ATOM 0 HA TYR A 54 5.230 11.240 1.624 1.00 25.00 H new ATOM 0 HB2 TYR A 54 7.171 11.432 0.491 1.00 25.00 H new ATOM 0 HB3 TYR A 54 6.499 12.555 -0.674 1.00 25.00 H new ATOM 0 HD1 TYR A 54 8.054 12.298 2.702 1.00 25.00 H new ATOM 0 HD2 TYR A 54 6.825 14.943 -0.458 1.00 25.00 H new ATOM 0 HE1 TYR A 54 9.289 14.179 3.779 1.00 25.00 H new ATOM 0 HE2 TYR A 54 8.040 16.812 0.632 1.00 25.00 H new ATOM 0 HH TYR A 54 9.321 17.456 2.297 1.00 25.00 H new ATOM 905 N GLN A 55 4.085 14.282 1.206 1.00 25.00 N ATOM 906 CA GLN A 55 3.532 15.412 1.962 1.00 25.00 C ATOM 907 C GLN A 55 2.278 14.982 2.715 1.00 25.00 C ATOM 908 O GLN A 55 2.002 15.462 3.808 1.00 25.00 O ATOM 909 CB GLN A 55 3.181 16.558 1.023 1.00 25.00 C ATOM 910 CG GLN A 55 4.346 16.991 0.170 1.00 25.00 C ATOM 911 CD GLN A 55 4.055 18.259 -0.566 1.00 25.00 C ATOM 912 OE1 GLN A 55 4.039 19.329 0.005 1.00 25.00 O ATOM 913 NE2 GLN A 55 3.836 18.154 -1.862 1.00 25.00 N ATOM 0 H GLN A 55 3.929 14.322 0.199 1.00 25.00 H new ATOM 0 HA GLN A 55 4.287 15.746 2.674 1.00 25.00 H new ATOM 0 HB2 GLN A 55 2.357 16.254 0.378 1.00 25.00 H new ATOM 0 HB3 GLN A 55 2.830 17.407 1.609 1.00 25.00 H new ATOM 0 HG2 GLN A 55 5.225 17.130 0.799 1.00 25.00 H new ATOM 0 HG3 GLN A 55 4.586 16.203 -0.544 1.00 25.00 H new ATOM 0 HE21 GLN A 55 3.857 17.238 -2.310 1.00 25.00 H new ATOM 0 HE22 GLN A 55 3.646 18.989 -2.416 1.00 25.00 H new ATOM 922 N VAL A 56 1.541 14.038 2.146 1.00 25.00 N ATOM 923 CA VAL A 56 0.360 13.474 2.804 1.00 25.00 C ATOM 924 C VAL A 56 0.820 12.672 4.031 1.00 25.00 C ATOM 925 O VAL A 56 0.220 12.747 5.103 1.00 25.00 O ATOM 926 CB VAL A 56 -0.466 12.568 1.838 1.00 25.00 C ATOM 927 CG1 VAL A 56 -1.636 11.862 2.580 1.00 25.00 C ATOM 928 CG2 VAL A 56 -1.035 13.413 0.685 1.00 25.00 C ATOM 0 H VAL A 56 1.737 13.642 1.227 1.00 25.00 H new ATOM 0 HA VAL A 56 -0.295 14.289 3.110 1.00 25.00 H new ATOM 0 HB VAL A 56 0.205 11.804 1.446 1.00 25.00 H new ATOM 0 HG11 VAL A 56 -2.190 11.240 1.877 1.00 25.00 H new ATOM 0 HG12 VAL A 56 -1.236 11.239 3.380 1.00 25.00 H new ATOM 0 HG13 VAL A 56 -2.303 12.612 3.004 1.00 25.00 H new ATOM 0 HG21 VAL A 56 -1.610 12.774 0.015 1.00 25.00 H new ATOM 0 HG22 VAL A 56 -1.683 14.191 1.089 1.00 25.00 H new ATOM 0 HG23 VAL A 56 -0.216 13.874 0.133 1.00 25.00 H new ATOM 938 N GLN A 57 1.908 11.935 3.876 1.00 25.00 N ATOM 939 CA GLN A 57 2.478 11.170 4.977 1.00 25.00 C ATOM 940 C GLN A 57 2.800 12.106 6.141 1.00 25.00 C ATOM 941 O GLN A 57 2.422 11.857 7.276 1.00 25.00 O ATOM 942 CB GLN A 57 3.771 10.482 4.522 1.00 25.00 C ATOM 943 CG GLN A 57 3.547 9.160 3.790 1.00 25.00 C ATOM 944 CD GLN A 57 3.876 7.962 4.637 1.00 25.00 C ATOM 945 OE1 GLN A 57 5.026 7.705 4.946 1.00 25.00 O ATOM 946 NE2 GLN A 57 2.872 7.215 4.998 1.00 25.00 N ATOM 0 H GLN A 57 2.417 11.849 2.996 1.00 25.00 H new ATOM 0 HA GLN A 57 1.755 10.418 5.294 1.00 25.00 H new ATOM 0 HB2 GLN A 57 4.320 11.159 3.868 1.00 25.00 H new ATOM 0 HB3 GLN A 57 4.400 10.301 5.393 1.00 25.00 H new ATOM 0 HG2 GLN A 57 2.507 9.099 3.470 1.00 25.00 H new ATOM 0 HG3 GLN A 57 4.159 9.141 2.888 1.00 25.00 H new ATOM 0 HE21 GLN A 57 1.924 7.465 4.718 1.00 25.00 H new ATOM 0 HE22 GLN A 57 3.034 6.380 5.560 1.00 25.00 H new ATOM 955 N LEU A 58 3.469 13.200 5.837 1.00 25.00 N ATOM 956 CA LEU A 58 3.806 14.188 6.857 1.00 25.00 C ATOM 957 C LEU A 58 2.561 14.852 7.439 1.00 25.00 C ATOM 958 O LEU A 58 2.531 15.144 8.623 1.00 25.00 O ATOM 959 CB LEU A 58 4.702 15.265 6.265 1.00 25.00 C ATOM 960 CG LEU A 58 6.154 14.892 5.928 1.00 25.00 C ATOM 961 CD1 LEU A 58 6.776 16.094 5.239 1.00 25.00 C ATOM 962 CD2 LEU A 58 6.954 14.535 7.191 1.00 25.00 C ATOM 0 H LEU A 58 3.791 13.432 4.898 1.00 25.00 H new ATOM 0 HA LEU A 58 4.324 13.660 7.658 1.00 25.00 H new ATOM 0 HB2 LEU A 58 4.230 15.627 5.352 1.00 25.00 H new ATOM 0 HB3 LEU A 58 4.726 16.101 6.964 1.00 25.00 H new ATOM 0 HG LEU A 58 6.170 14.013 5.284 1.00 25.00 H new ATOM 0 HD11 LEU A 58 7.811 15.870 4.982 1.00 25.00 H new ATOM 0 HD12 LEU A 58 6.218 16.322 4.331 1.00 25.00 H new ATOM 0 HD13 LEU A 58 6.746 16.953 5.909 1.00 25.00 H new ATOM 0 HD21 LEU A 58 7.976 14.277 6.913 1.00 25.00 H new ATOM 0 HD22 LEU A 58 6.967 15.390 7.867 1.00 25.00 H new ATOM 0 HD23 LEU A 58 6.487 13.685 7.689 1.00 25.00 H new ATOM 974 N ALA A 59 1.523 15.045 6.634 1.00 25.00 N ATOM 975 CA ALA A 59 0.287 15.656 7.115 1.00 25.00 C ATOM 976 C ALA A 59 -0.325 14.792 8.209 1.00 25.00 C ATOM 977 O ALA A 59 -0.797 15.305 9.214 1.00 25.00 O ATOM 978 CB ALA A 59 -0.711 15.829 5.976 1.00 25.00 C ATOM 0 H ALA A 59 1.511 14.788 5.647 1.00 25.00 H new ATOM 0 HA ALA A 59 0.524 16.640 7.519 1.00 25.00 H new ATOM 0 HB1 ALA A 59 -1.624 16.286 6.358 1.00 25.00 H new ATOM 0 HB2 ALA A 59 -0.279 16.470 5.208 1.00 25.00 H new ATOM 0 HB3 ALA A 59 -0.945 14.855 5.546 1.00 25.00 H new ATOM 984 N GLN A 60 -0.317 13.485 8.008 1.00 25.00 N ATOM 985 CA GLN A 60 -0.905 12.589 8.991 1.00 25.00 C ATOM 986 C GLN A 60 -0.134 12.687 10.323 1.00 25.00 C ATOM 987 O GLN A 60 -0.717 12.592 11.399 1.00 25.00 O ATOM 988 CB GLN A 60 -0.880 11.151 8.473 1.00 25.00 C ATOM 989 CG GLN A 60 -1.758 10.933 7.240 1.00 25.00 C ATOM 990 CD GLN A 60 -1.793 9.486 6.783 1.00 25.00 C ATOM 991 OE1 GLN A 60 -0.776 8.901 6.452 1.00 25.00 O ATOM 992 NE2 GLN A 60 -2.968 8.901 6.775 1.00 25.00 N ATOM 0 H GLN A 60 0.082 13.026 7.189 1.00 25.00 H new ATOM 0 HA GLN A 60 -1.941 12.883 9.161 1.00 25.00 H new ATOM 0 HB2 GLN A 60 0.147 10.878 8.231 1.00 25.00 H new ATOM 0 HB3 GLN A 60 -1.209 10.481 9.267 1.00 25.00 H new ATOM 0 HG2 GLN A 60 -2.773 11.263 7.461 1.00 25.00 H new ATOM 0 HG3 GLN A 60 -1.391 11.557 6.425 1.00 25.00 H new ATOM 0 HE21 GLN A 60 -3.799 9.421 7.058 1.00 25.00 H new ATOM 0 HE22 GLN A 60 -3.051 7.926 6.485 1.00 25.00 H new ATOM 1001 N GLN A 61 1.169 12.911 10.242 1.00 25.00 N ATOM 1002 CA GLN A 61 1.989 13.069 11.450 1.00 25.00 C ATOM 1003 C GLN A 61 1.663 14.378 12.178 1.00 25.00 C ATOM 1004 O GLN A 61 1.448 14.392 13.388 1.00 25.00 O ATOM 1005 CB GLN A 61 3.486 13.046 11.109 1.00 25.00 C ATOM 1006 CG GLN A 61 3.937 11.817 10.333 1.00 25.00 C ATOM 1007 CD GLN A 61 5.413 11.833 10.027 1.00 25.00 C ATOM 1008 OE1 GLN A 61 6.104 12.780 10.344 1.00 25.00 O ATOM 1009 NE2 GLN A 61 5.903 10.786 9.408 1.00 25.00 N ATOM 0 H GLN A 61 1.684 12.988 9.365 1.00 25.00 H new ATOM 0 HA GLN A 61 1.755 12.229 12.104 1.00 25.00 H new ATOM 0 HB2 GLN A 61 3.727 13.936 10.528 1.00 25.00 H new ATOM 0 HB3 GLN A 61 4.058 13.106 12.035 1.00 25.00 H new ATOM 0 HG2 GLN A 61 3.699 10.922 10.907 1.00 25.00 H new ATOM 0 HG3 GLN A 61 3.377 11.756 9.400 1.00 25.00 H new ATOM 0 HE21 GLN A 61 5.291 10.009 9.158 1.00 25.00 H new ATOM 0 HE22 GLN A 61 6.896 10.748 9.177 1.00 25.00 H new ATOM 1018 N GLN A 62 1.600 15.475 11.439 1.00 25.00 N ATOM 1019 CA GLN A 62 1.309 16.773 12.049 1.00 25.00 C ATOM 1020 C GLN A 62 -0.079 16.830 12.649 1.00 25.00 C ATOM 1021 O GLN A 62 -0.290 17.437 13.704 1.00 25.00 O ATOM 1022 CB GLN A 62 1.454 17.905 11.024 1.00 25.00 C ATOM 1023 CG GLN A 62 2.853 18.036 10.507 1.00 25.00 C ATOM 1024 CD GLN A 62 3.074 19.336 9.764 1.00 25.00 C ATOM 1025 OE1 GLN A 62 2.242 19.764 8.981 1.00 25.00 O ATOM 1026 NE2 GLN A 62 4.204 19.949 9.989 1.00 25.00 N ATOM 0 H GLN A 62 1.744 15.499 10.429 1.00 25.00 H new ATOM 0 HA GLN A 62 2.036 16.903 12.851 1.00 25.00 H new ATOM 0 HB2 GLN A 62 0.777 17.723 10.189 1.00 25.00 H new ATOM 0 HB3 GLN A 62 1.150 18.846 11.482 1.00 25.00 H new ATOM 0 HG2 GLN A 62 3.553 17.973 11.340 1.00 25.00 H new ATOM 0 HG3 GLN A 62 3.072 17.200 9.843 1.00 25.00 H new ATOM 0 HE21 GLN A 62 4.873 19.558 10.652 1.00 25.00 H new ATOM 0 HE22 GLN A 62 4.418 20.819 9.502 1.00 25.00 H new ATOM 1035 N ALA A 63 -1.009 16.160 11.986 1.00 25.00 N ATOM 1036 CA ALA A 63 -2.393 16.063 12.443 1.00 25.00 C ATOM 1037 C ALA A 63 -2.495 15.384 13.814 1.00 25.00 C ATOM 1038 O ALA A 63 -3.360 15.726 14.603 1.00 25.00 O ATOM 1039 CB ALA A 63 -3.244 15.295 11.404 1.00 25.00 C ATOM 0 H ALA A 63 -0.828 15.665 11.113 1.00 25.00 H new ATOM 0 HA ALA A 63 -2.778 17.077 12.548 1.00 25.00 H new ATOM 0 HB1 ALA A 63 -4.274 15.229 11.755 1.00 25.00 H new ATOM 0 HB2 ALA A 63 -3.219 15.823 10.451 1.00 25.00 H new ATOM 0 HB3 ALA A 63 -2.840 14.291 11.273 1.00 25.00 H new ATOM 1045 N ALA A 64 -1.597 14.442 14.088 1.00 25.00 N ATOM 1046 CA ALA A 64 -1.582 13.747 15.370 1.00 25.00 C ATOM 1047 C ALA A 64 -0.770 14.506 16.437 1.00 25.00 C ATOM 1048 O ALA A 64 -1.033 14.366 17.636 1.00 25.00 O ATOM 1049 CB ALA A 64 -1.012 12.348 15.173 1.00 25.00 C ATOM 0 H ALA A 64 -0.870 14.143 13.438 1.00 25.00 H new ATOM 0 HA ALA A 64 -2.608 13.688 15.734 1.00 25.00 H new ATOM 0 HB1 ALA A 64 -0.998 11.823 16.128 1.00 25.00 H new ATOM 0 HB2 ALA A 64 -1.633 11.798 14.466 1.00 25.00 H new ATOM 0 HB3 ALA A 64 0.004 12.420 14.784 1.00 25.00 H new ATOM 1055 N LEU A 65 0.205 15.293 16.012 1.00 25.00 N ATOM 1056 CA LEU A 65 1.087 16.000 16.941 1.00 25.00 C ATOM 1057 C LEU A 65 0.447 17.294 17.406 1.00 25.00 C ATOM 1058 O LEU A 65 0.595 17.686 18.563 1.00 25.00 O ATOM 1059 CB LEU A 65 2.437 16.297 16.269 1.00 25.00 C ATOM 1060 CG LEU A 65 3.351 15.084 16.029 1.00 25.00 C ATOM 1061 CD1 LEU A 65 4.536 15.524 15.162 1.00 25.00 C ATOM 1062 CD2 LEU A 65 3.861 14.480 17.341 1.00 25.00 C ATOM 0 H LEU A 65 0.410 15.462 15.027 1.00 25.00 H new ATOM 0 HA LEU A 65 1.253 15.362 17.809 1.00 25.00 H new ATOM 0 HB2 LEU A 65 2.245 16.778 15.310 1.00 25.00 H new ATOM 0 HB3 LEU A 65 2.976 17.017 16.884 1.00 25.00 H new ATOM 0 HG LEU A 65 2.772 14.312 15.523 1.00 25.00 H new ATOM 0 HD11 LEU A 65 5.193 14.672 14.984 1.00 25.00 H new ATOM 0 HD12 LEU A 65 4.168 15.904 14.209 1.00 25.00 H new ATOM 0 HD13 LEU A 65 5.091 16.309 15.676 1.00 25.00 H new ATOM 0 HD21 LEU A 65 4.503 13.626 17.123 1.00 25.00 H new ATOM 0 HD22 LEU A 65 4.430 15.230 17.890 1.00 25.00 H new ATOM 0 HD23 LEU A 65 3.014 14.153 17.944 1.00 25.00 H new ATOM 1074 N GLN A 66 -0.212 17.973 16.473 1.00 25.00 N ATOM 1075 CA GLN A 66 -0.916 19.240 16.721 1.00 25.00 C ATOM 1076 C GLN A 66 -0.047 20.279 17.442 1.00 25.00 C ATOM 1077 O GLN A 66 -0.525 21.106 18.202 1.00 25.00 O ATOM 1078 CB GLN A 66 -2.207 18.939 17.486 1.00 25.00 C ATOM 1079 CG GLN A 66 -3.104 17.999 16.715 1.00 25.00 C ATOM 1080 CD GLN A 66 -4.488 17.892 17.288 1.00 25.00 C ATOM 1081 OE1 GLN A 66 -4.718 18.153 18.456 1.00 25.00 O ATOM 1082 NE2 GLN A 66 -5.427 17.501 16.471 1.00 25.00 N ATOM 0 H GLN A 66 -0.277 17.659 15.505 1.00 25.00 H new ATOM 0 HA GLN A 66 -1.158 19.697 15.761 1.00 25.00 H new ATOM 0 HB2 GLN A 66 -1.963 18.499 18.453 1.00 25.00 H new ATOM 0 HB3 GLN A 66 -2.739 19.870 17.684 1.00 25.00 H new ATOM 0 HG2 GLN A 66 -3.172 18.339 15.682 1.00 25.00 H new ATOM 0 HG3 GLN A 66 -2.649 17.009 16.696 1.00 25.00 H new ATOM 0 HE21 GLN A 66 -5.202 17.290 15.499 1.00 25.00 H new ATOM 0 HE22 GLN A 66 -6.386 17.406 16.804 1.00 25.00 H new ATOM 1091 N LYS A 67 1.249 20.205 17.184 1.00 25.00 N ATOM 1092 CA LYS A 67 2.223 21.101 17.815 1.00 25.00 C ATOM 1093 C LYS A 67 3.301 21.429 16.808 1.00 25.00 C ATOM 1094 O LYS A 67 4.419 21.779 17.149 1.00 25.00 O ATOM 1095 CB LYS A 67 2.796 20.399 19.050 1.00 25.00 C ATOM 1096 CG LYS A 67 3.264 21.345 20.155 1.00 25.00 C ATOM 1097 CD LYS A 67 3.706 20.591 21.424 1.00 25.00 C ATOM 1098 CE LYS A 67 2.487 19.960 22.131 1.00 25.00 C ATOM 1099 NZ LYS A 67 2.894 19.275 23.407 1.00 25.00 N ATOM 0 H LYS A 67 1.659 19.531 16.538 1.00 25.00 H new ATOM 0 HA LYS A 67 1.759 22.035 18.133 1.00 25.00 H new ATOM 0 HB2 LYS A 67 2.037 19.731 19.458 1.00 25.00 H new ATOM 0 HB3 LYS A 67 3.636 19.777 18.742 1.00 25.00 H new ATOM 0 HG2 LYS A 67 4.094 21.948 19.786 1.00 25.00 H new ATOM 0 HG3 LYS A 67 2.457 22.033 20.407 1.00 25.00 H new ATOM 0 HD2 LYS A 67 4.424 19.814 21.161 1.00 25.00 H new ATOM 0 HD3 LYS A 67 4.213 21.276 22.103 1.00 25.00 H new ATOM 0 HE2 LYS A 67 1.749 20.732 22.349 1.00 25.00 H new ATOM 0 HE3 LYS A 67 2.009 19.241 21.466 1.00 25.00 H new ATOM 0 HZ1 LYS A 67 2.055 18.860 23.861 1.00 25.00 H new ATOM 0 HZ2 LYS A 67 3.580 18.523 23.194 1.00 25.00 H new ATOM 0 HZ3 LYS A 67 3.328 19.968 24.050 1.00 25.00 H new ATOM 1113 N GLN A 68 2.955 21.259 15.543 1.00 25.00 N ATOM 1114 CA GLN A 68 3.868 21.490 14.430 1.00 25.00 C ATOM 1115 C GLN A 68 3.093 22.280 13.388 1.00 25.00 C ATOM 1116 O GLN A 68 2.763 21.794 12.318 1.00 25.00 O ATOM 1117 CB GLN A 68 4.336 20.159 13.832 1.00 25.00 C ATOM 1118 CG GLN A 68 5.296 19.383 14.713 1.00 25.00 C ATOM 1119 CD GLN A 68 6.630 20.095 14.882 1.00 25.00 C ATOM 1120 OE1 GLN A 68 7.311 20.371 13.915 1.00 25.00 O ATOM 1121 NE2 GLN A 68 7.000 20.394 16.100 1.00 25.00 N ATOM 0 H GLN A 68 2.025 20.954 15.254 1.00 25.00 H new ATOM 0 HA GLN A 68 4.754 22.031 14.763 1.00 25.00 H new ATOM 0 HB2 GLN A 68 3.463 19.538 13.630 1.00 25.00 H new ATOM 0 HB3 GLN A 68 4.817 20.354 12.874 1.00 25.00 H new ATOM 0 HG2 GLN A 68 4.843 19.229 15.692 1.00 25.00 H new ATOM 0 HG3 GLN A 68 5.465 18.397 14.281 1.00 25.00 H new ATOM 0 HE21 GLN A 68 6.403 20.147 16.889 1.00 25.00 H new ATOM 0 HE22 GLN A 68 7.885 20.874 16.261 1.00 25.00 H new ATOM 1130 N GLN A 69 2.698 23.493 13.773 1.00 25.00 N ATOM 1131 CA GLN A 69 1.858 24.355 12.931 1.00 25.00 C ATOM 1132 C GLN A 69 2.099 25.830 13.207 1.00 25.00 C ATOM 1133 O GLN A 69 2.484 26.261 14.275 1.00 25.00 O ATOM 1134 CB GLN A 69 0.359 23.981 13.103 1.00 25.00 C ATOM 1135 CG GLN A 69 -0.161 24.291 14.527 1.00 25.00 C ATOM 1136 CD GLN A 69 -1.533 23.711 14.722 1.00 25.00 C ATOM 1137 OE1 GLN A 69 -1.739 22.573 15.077 1.00 25.00 O ATOM 1138 NE2 GLN A 69 -2.548 24.518 14.433 1.00 25.00 N ATOM 1139 OXT GLN A 69 1.843 26.599 12.184 1.00 25.00 O ATOM 0 H GLN A 69 2.947 23.907 14.671 1.00 25.00 H new ATOM 0 HA GLN A 69 2.139 24.183 11.892 1.00 25.00 H new ATOM 0 HB2 GLN A 69 -0.237 24.529 12.373 1.00 25.00 H new ATOM 0 HB3 GLN A 69 0.224 22.920 12.892 1.00 25.00 H new ATOM 0 HG2 GLN A 69 0.524 23.879 15.269 1.00 25.00 H new ATOM 0 HG3 GLN A 69 -0.190 25.369 14.684 1.00 25.00 H new ATOM 0 HE21 GLN A 69 -2.368 25.477 14.134 1.00 25.00 H new ATOM 0 HE22 GLN A 69 -3.507 24.179 14.510 1.00 25.00 H new TER 1149 GLN A 69