USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 565 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 GLN : amide:sc= 0.609 K(o=1.1,f=0.3) USER MOD Set 1.2: A 68 GLN : amide:sc= 0.463 K(o=1.1,f=0.3) USER MOD Set 2.1: A 51 GLN : amide:sc= -0.0869 X(o=0.14,f=-0.19) USER MOD Set 2.2: A 55 GLN : amide:sc= 0.227 X(o=0.14,f=-0.19) USER MOD Set 3.1: A 46 TYR OH : rot 70:sc= 0 USER MOD Set 3.2: A 50 MET CE :methyl -173:sc= -0.139 (180deg=-0.256) USER MOD Set 4.1: A 3 GLN : amide:sc= 0.422 K(o=0.8,f=-0.53) USER MOD Set 4.2: A 6 GLN : amide:sc= 0.382 K(o=0.8,f=-1.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= -0.192 (180deg=-0.207) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 4 LYS NZ :NH3+ -179:sc= 0.411 (180deg=0.409) USER MOD Single : A 5 GLN : amide:sc=-0.00355 X(o=-0.0035,f=0) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.173 F(o=-1.4,f=-0.17) USER MOD Single : A 13 SER OG : rot 71:sc= 1.15 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 15 THR OG1 : rot 131:sc= 0.794 USER MOD Single : A 18 GLN : amide:sc=-0.000686 X(o=-0.00069,f=-0.11) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 21 GLN : amide:sc= -0.0179 K(o=-0.018,f=-1.4!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.0621 X(o=-0.062,f=-0.18) 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= 0.211 X(o=0.21,f=-0.14) USER MOD Single : A 34 GLN : amide:sc= 0.796 K(o=0.8,f=-0.81) 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) USER MOD Single : A 42 GLN : amide:sc= -0.487 K(o=-0.49,f=-2!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HE2:sc= 0.00184 X(o=0.0018,f=-0.061) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc=-0.00842 X(o=-0.0084,f=-0.14) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.174 K(o=-0.17,f=-3.5!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.014) 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 69 GLN : amide:sc=-0.00482 X(o=-0.0048,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.547 0.467 -1.710 1.00 25.00 N ATOM 2 CA MET A 1 10.991 0.089 -3.074 1.00 25.00 C ATOM 3 C MET A 1 10.186 -1.078 -3.670 1.00 25.00 C ATOM 4 O MET A 1 10.417 -1.600 -4.741 1.00 25.00 O ATOM 5 CB MET A 1 12.496 -0.182 -3.044 1.00 25.00 C ATOM 6 CG MET A 1 13.134 0.210 -4.390 1.00 25.00 C ATOM 7 SD MET A 1 14.933 0.009 -4.342 1.00 25.00 S ATOM 8 CE MET A 1 15.366 0.749 -5.955 1.00 25.00 C ATOM 0 H1 MET A 1 11.159 1.223 -1.343 1.00 25.00 H new ATOM 0 H2 MET A 1 9.564 0.804 -1.746 1.00 25.00 H new ATOM 0 H3 MET A 1 10.606 -0.361 -1.084 1.00 25.00 H new ATOM 0 HA MET A 1 10.794 0.922 -3.749 1.00 25.00 H new ATOM 0 HB2 MET A 1 12.959 0.384 -2.235 1.00 25.00 H new ATOM 0 HB3 MET A 1 12.679 -1.237 -2.840 1.00 25.00 H new ATOM 0 HG2 MET A 1 12.717 -0.406 -5.187 1.00 25.00 H new ATOM 0 HG3 MET A 1 12.887 1.245 -4.625 1.00 25.00 H new ATOM 0 HE1 MET A 1 16.446 0.710 -6.095 1.00 25.00 H new ATOM 0 HE2 MET A 1 14.876 0.192 -6.754 1.00 25.00 H new ATOM 0 HE3 MET A 1 15.034 1.787 -5.980 1.00 25.00 H new ATOM 19 N GLN A 2 9.151 -1.461 -2.911 1.00 25.00 N ATOM 20 CA GLN A 2 8.269 -2.573 -3.265 1.00 25.00 C ATOM 21 C GLN A 2 6.805 -2.125 -3.196 1.00 25.00 C ATOM 22 O GLN A 2 6.509 -1.107 -2.581 1.00 25.00 O ATOM 23 CB GLN A 2 8.529 -3.764 -2.318 1.00 25.00 C ATOM 24 CG GLN A 2 8.063 -5.119 -2.853 1.00 25.00 C ATOM 25 CD GLN A 2 8.632 -6.300 -2.068 1.00 25.00 C ATOM 26 OE1 GLN A 2 8.746 -6.247 -0.871 1.00 25.00 O ATOM 27 NE2 GLN A 2 8.998 -7.353 -2.757 1.00 25.00 N ATOM 0 H GLN A 2 8.904 -1.005 -2.033 1.00 25.00 H new ATOM 0 HA GLN A 2 8.478 -2.892 -4.286 1.00 25.00 H new ATOM 0 HB2 GLN A 2 9.598 -3.819 -2.110 1.00 25.00 H new ATOM 0 HB3 GLN A 2 8.029 -3.572 -1.369 1.00 25.00 H new ATOM 0 HG2 GLN A 2 6.974 -5.160 -2.822 1.00 25.00 H new ATOM 0 HG3 GLN A 2 8.356 -5.210 -3.899 1.00 25.00 H new ATOM 0 HE21 GLN A 2 8.887 -7.363 -3.771 1.00 25.00 H new ATOM 0 HE22 GLN A 2 9.394 -8.163 -2.279 1.00 25.00 H new ATOM 36 N GLN A 3 5.932 -2.859 -3.880 1.00 25.00 N ATOM 37 CA GLN A 3 4.482 -2.558 -3.954 1.00 25.00 C ATOM 38 C GLN A 3 4.155 -1.184 -4.549 1.00 25.00 C ATOM 39 O GLN A 3 3.090 -0.623 -4.365 1.00 25.00 O ATOM 40 CB GLN A 3 3.820 -2.768 -2.577 1.00 25.00 C ATOM 41 CG GLN A 3 2.327 -3.155 -2.635 1.00 25.00 C ATOM 42 CD GLN A 3 1.706 -3.382 -1.266 1.00 25.00 C ATOM 43 OE1 GLN A 3 2.383 -3.734 -0.304 1.00 25.00 O ATOM 44 NE2 GLN A 3 0.429 -3.133 -1.157 1.00 25.00 N ATOM 0 H GLN A 3 6.201 -3.690 -4.408 1.00 25.00 H new ATOM 0 HA GLN A 3 4.054 -3.269 -4.661 1.00 25.00 H new ATOM 0 HB2 GLN A 3 4.363 -3.547 -2.042 1.00 25.00 H new ATOM 0 HB3 GLN A 3 3.922 -1.852 -1.996 1.00 25.00 H new ATOM 0 HG2 GLN A 3 1.776 -2.368 -3.149 1.00 25.00 H new ATOM 0 HG3 GLN A 3 2.218 -4.062 -3.230 1.00 25.00 H new ATOM 0 HE21 GLN A 3 -0.106 -2.842 -1.976 1.00 25.00 H new ATOM 0 HE22 GLN A 3 -0.034 -3.229 -0.253 1.00 25.00 H new ATOM 53 N LYS A 4 5.083 -0.658 -5.321 1.00 25.00 N ATOM 54 CA LYS A 4 4.904 0.661 -5.919 1.00 25.00 C ATOM 55 C LYS A 4 4.059 0.688 -7.187 1.00 25.00 C ATOM 56 O LYS A 4 3.366 1.663 -7.438 1.00 25.00 O ATOM 57 CB LYS A 4 6.277 1.252 -6.216 1.00 25.00 C ATOM 58 CG LYS A 4 7.105 1.447 -4.947 1.00 25.00 C ATOM 59 CD LYS A 4 8.420 2.187 -5.205 1.00 25.00 C ATOM 60 CE LYS A 4 8.242 3.712 -5.146 1.00 25.00 C ATOM 61 NZ LYS A 4 7.942 4.173 -3.758 1.00 25.00 N ATOM 0 H LYS A 4 5.965 -1.115 -5.552 1.00 25.00 H new ATOM 0 HA LYS A 4 4.349 1.250 -5.189 1.00 25.00 H new ATOM 0 HB2 LYS A 4 6.813 0.595 -6.901 1.00 25.00 H new ATOM 0 HB3 LYS A 4 6.157 2.210 -6.721 1.00 25.00 H new ATOM 0 HG2 LYS A 4 6.517 2.004 -4.217 1.00 25.00 H new ATOM 0 HG3 LYS A 4 7.321 0.474 -4.507 1.00 25.00 H new ATOM 0 HD2 LYS A 4 9.160 1.879 -4.466 1.00 25.00 H new ATOM 0 HD3 LYS A 4 8.809 1.905 -6.183 1.00 25.00 H new ATOM 0 HE2 LYS A 4 9.148 4.200 -5.505 1.00 25.00 H new ATOM 0 HE3 LYS A 4 7.434 4.011 -5.813 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 7.811 5.205 -3.756 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 7.073 3.713 -3.419 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 8.733 3.923 -3.131 1.00 25.00 H new ATOM 75 N GLN A 5 4.099 -0.370 -7.976 1.00 25.00 N ATOM 76 CA GLN A 5 3.377 -0.390 -9.263 1.00 25.00 C ATOM 77 C GLN A 5 1.851 -0.339 -9.118 1.00 25.00 C ATOM 78 O GLN A 5 1.177 0.118 -10.024 1.00 25.00 O ATOM 79 CB GLN A 5 3.739 -1.625 -10.092 1.00 25.00 C ATOM 80 CG GLN A 5 5.120 -1.563 -10.730 1.00 25.00 C ATOM 81 CD GLN A 5 5.292 -2.639 -11.785 1.00 25.00 C ATOM 82 OE1 GLN A 5 5.155 -3.812 -11.506 1.00 25.00 O ATOM 83 NE2 GLN A 5 5.579 -2.238 -12.987 1.00 25.00 N ATOM 0 H GLN A 5 4.614 -1.225 -7.764 1.00 25.00 H new ATOM 0 HA GLN A 5 3.699 0.519 -9.771 1.00 25.00 H new ATOM 0 HB2 GLN A 5 3.685 -2.507 -9.453 1.00 25.00 H new ATOM 0 HB3 GLN A 5 2.994 -1.754 -10.877 1.00 25.00 H new ATOM 0 HG2 GLN A 5 5.270 -0.582 -11.181 1.00 25.00 H new ATOM 0 HG3 GLN A 5 5.883 -1.680 -9.961 1.00 25.00 H new ATOM 0 HE21 GLN A 5 5.686 -1.242 -13.181 1.00 25.00 H new ATOM 0 HE22 GLN A 5 5.697 -2.919 -13.737 1.00 25.00 H new ATOM 92 N GLN A 6 1.312 -0.769 -7.985 1.00 25.00 N ATOM 93 CA GLN A 6 -0.130 -0.703 -7.759 1.00 25.00 C ATOM 94 C GLN A 6 -0.580 0.757 -7.810 1.00 25.00 C ATOM 95 O GLN A 6 -1.584 1.108 -8.429 1.00 25.00 O ATOM 96 CB GLN A 6 -0.480 -1.289 -6.382 1.00 25.00 C ATOM 97 CG GLN A 6 -0.241 -2.788 -6.274 1.00 25.00 C ATOM 98 CD GLN A 6 -0.733 -3.339 -4.946 1.00 25.00 C ATOM 99 OE1 GLN A 6 -0.679 -2.659 -3.932 1.00 25.00 O ATOM 100 NE2 GLN A 6 -1.191 -4.570 -4.946 1.00 25.00 N ATOM 0 H GLN A 6 1.845 -1.165 -7.211 1.00 25.00 H new ATOM 0 HA GLN A 6 -0.637 -1.280 -8.532 1.00 25.00 H new ATOM 0 HB2 GLN A 6 0.111 -0.780 -5.620 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -1.528 -1.081 -6.164 1.00 25.00 H new ATOM 0 HG2 GLN A 6 -0.751 -3.298 -7.091 1.00 25.00 H new ATOM 0 HG3 GLN A 6 0.823 -2.996 -6.383 1.00 25.00 H new ATOM 0 HE21 GLN A 6 -1.219 -5.104 -5.815 1.00 25.00 H new ATOM 0 HE22 GLN A 6 -1.519 -4.992 -4.077 1.00 25.00 H new ATOM 109 N ILE A 7 0.216 1.612 -7.184 1.00 25.00 N ATOM 110 CA ILE A 7 -0.094 3.040 -7.115 1.00 25.00 C ATOM 111 C ILE A 7 0.086 3.660 -8.502 1.00 25.00 C ATOM 112 O ILE A 7 -0.726 4.461 -8.934 1.00 25.00 O ATOM 113 CB ILE A 7 0.841 3.746 -6.103 1.00 25.00 C ATOM 114 CG1 ILE A 7 0.798 3.036 -4.726 1.00 25.00 C ATOM 115 CG2 ILE A 7 0.446 5.252 -5.941 1.00 25.00 C ATOM 116 CD1 ILE A 7 2.004 3.322 -3.832 1.00 25.00 C ATOM 0 H ILE A 7 1.082 1.346 -6.715 1.00 25.00 H new ATOM 0 HA ILE A 7 -1.125 3.167 -6.784 1.00 25.00 H new ATOM 0 HB ILE A 7 1.858 3.691 -6.492 1.00 25.00 H new ATOM 0 HG12 ILE A 7 -0.108 3.340 -4.202 1.00 25.00 H new ATOM 0 HG13 ILE A 7 0.727 1.960 -4.887 1.00 25.00 H new ATOM 0 HG21 ILE A 7 1.116 5.729 -5.225 1.00 25.00 H new ATOM 0 HG22 ILE A 7 0.527 5.755 -6.905 1.00 25.00 H new ATOM 0 HG23 ILE A 7 -0.580 5.322 -5.580 1.00 25.00 H new ATOM 0 HD11 ILE A 7 1.893 2.787 -2.889 1.00 25.00 H new ATOM 0 HD12 ILE A 7 2.914 2.991 -4.332 1.00 25.00 H new ATOM 0 HD13 ILE A 7 2.066 4.392 -3.636 1.00 25.00 H new ATOM 128 N MET A 8 1.133 3.239 -9.206 1.00 25.00 N ATOM 129 CA MET A 8 1.405 3.741 -10.554 1.00 25.00 C ATOM 130 C MET A 8 0.238 3.448 -11.476 1.00 25.00 C ATOM 131 O MET A 8 -0.282 4.358 -12.100 1.00 25.00 O ATOM 132 CB MET A 8 2.686 3.118 -11.131 1.00 25.00 C ATOM 133 CG MET A 8 3.940 3.468 -10.352 1.00 25.00 C ATOM 134 SD MET A 8 5.435 2.782 -11.077 1.00 25.00 S ATOM 135 CE MET A 8 5.750 3.976 -12.396 1.00 25.00 C ATOM 0 H MET A 8 1.807 2.552 -8.868 1.00 25.00 H new ATOM 0 HA MET A 8 1.545 4.820 -10.482 1.00 25.00 H new ATOM 0 HB2 MET A 8 2.574 2.034 -11.153 1.00 25.00 H new ATOM 0 HB3 MET A 8 2.806 3.447 -12.163 1.00 25.00 H new ATOM 0 HG2 MET A 8 4.035 4.552 -10.296 1.00 25.00 H new ATOM 0 HG3 MET A 8 3.839 3.104 -9.330 1.00 25.00 H new ATOM 0 HE1 MET A 8 6.649 3.688 -12.941 1.00 25.00 H new ATOM 0 HE2 MET A 8 4.902 3.995 -13.080 1.00 25.00 H new ATOM 0 HE3 MET A 8 5.889 4.967 -11.964 1.00 25.00 H new ATOM 145 N ALA A 9 -0.182 2.196 -11.534 1.00 25.00 N ATOM 146 CA ALA A 9 -1.274 1.796 -12.424 1.00 25.00 C ATOM 147 C ALA A 9 -2.562 2.539 -12.091 1.00 25.00 C ATOM 148 O ALA A 9 -3.283 2.977 -12.995 1.00 25.00 O ATOM 149 CB ALA A 9 -1.511 0.278 -12.338 1.00 25.00 C ATOM 0 H ALA A 9 0.211 1.436 -10.979 1.00 25.00 H new ATOM 0 HA ALA A 9 -0.982 2.056 -13.441 1.00 25.00 H new ATOM 0 HB1 ALA A 9 -2.326 -0.001 -13.006 1.00 25.00 H new ATOM 0 HB2 ALA A 9 -0.604 -0.249 -12.632 1.00 25.00 H new ATOM 0 HB3 ALA A 9 -1.772 0.008 -11.315 1.00 25.00 H new ATOM 155 N ALA A 10 -2.826 2.730 -10.810 1.00 25.00 N ATOM 156 CA ALA A 10 -4.036 3.428 -10.404 1.00 25.00 C ATOM 157 C ALA A 10 -4.028 4.865 -10.952 1.00 25.00 C ATOM 158 O ALA A 10 -5.023 5.336 -11.490 1.00 25.00 O ATOM 159 CB ALA A 10 -4.137 3.425 -8.872 1.00 25.00 C ATOM 0 H ALA A 10 -2.230 2.418 -10.043 1.00 25.00 H new ATOM 0 HA ALA A 10 -4.907 2.917 -10.813 1.00 25.00 H new ATOM 0 HB1 ALA A 10 -5.043 3.948 -8.566 1.00 25.00 H new ATOM 0 HB2 ALA A 10 -4.172 2.397 -8.512 1.00 25.00 H new ATOM 0 HB3 ALA A 10 -3.268 3.928 -8.449 1.00 25.00 H new ATOM 165 N LEU A 11 -2.894 5.542 -10.830 1.00 25.00 N ATOM 166 CA LEU A 11 -2.772 6.920 -11.317 1.00 25.00 C ATOM 167 C LEU A 11 -2.756 6.966 -12.847 1.00 25.00 C ATOM 168 O LEU A 11 -3.371 7.830 -13.451 1.00 25.00 O ATOM 169 CB LEU A 11 -1.492 7.562 -10.787 1.00 25.00 C ATOM 170 CG LEU A 11 -1.452 7.824 -9.263 1.00 25.00 C ATOM 171 CD1 LEU A 11 -0.029 8.235 -8.870 1.00 25.00 C ATOM 172 CD2 LEU A 11 -2.432 8.923 -8.847 1.00 25.00 C ATOM 0 H LEU A 11 -2.047 5.167 -10.402 1.00 25.00 H new ATOM 0 HA LEU A 11 -3.638 7.473 -10.955 1.00 25.00 H new ATOM 0 HB2 LEU A 11 -0.651 6.920 -11.049 1.00 25.00 H new ATOM 0 HB3 LEU A 11 -1.342 8.510 -11.304 1.00 25.00 H new ATOM 0 HG LEU A 11 -1.746 6.908 -8.751 1.00 25.00 H new ATOM 0 HD11 LEU A 11 0.012 8.423 -7.797 1.00 25.00 H new ATOM 0 HD12 LEU A 11 0.665 7.434 -9.125 1.00 25.00 H new ATOM 0 HD13 LEU A 11 0.250 9.141 -9.408 1.00 25.00 H new ATOM 0 HD21 LEU A 11 -2.372 9.075 -7.769 1.00 25.00 H new ATOM 0 HD22 LEU A 11 -2.177 9.851 -9.359 1.00 25.00 H new ATOM 0 HD23 LEU A 11 -3.446 8.627 -9.116 1.00 25.00 H new ATOM 184 N ASN A 12 -2.049 6.027 -13.464 1.00 25.00 N ATOM 185 CA ASN A 12 -1.874 6.015 -14.929 1.00 25.00 C ATOM 186 C ASN A 12 -3.205 5.816 -15.652 1.00 25.00 C ATOM 187 O ASN A 12 -3.394 6.322 -16.743 1.00 25.00 O ATOM 188 CB ASN A 12 -0.891 4.902 -15.341 1.00 25.00 C ATOM 189 CG ASN A 12 0.534 5.135 -14.851 1.00 25.00 C ATOM 190 OD1 ASN A 12 0.891 6.362 -14.616 1.00 25.00 O flip ATOM 191 ND2 ASN A 12 1.291 4.190 -14.665 1.00 25.00 N flip ATOM 0 H ASN A 12 -1.583 5.259 -12.981 1.00 25.00 H new ATOM 0 HA ASN A 12 -1.470 6.985 -15.219 1.00 25.00 H new ATOM 0 HB2 ASN A 12 -1.249 3.949 -14.951 1.00 25.00 H new ATOM 0 HB3 ASN A 12 -0.884 4.819 -16.428 1.00 25.00 H new ATOM 0 HD21 ASN A 12 0.977 3.239 -14.860 1.00 25.00 H new ATOM 0 HD22 ASN A 12 2.235 4.354 -14.315 1.00 25.00 H new ATOM 198 N SER A 13 -4.120 5.086 -15.031 1.00 25.00 N ATOM 199 CA SER A 13 -5.425 4.821 -15.638 1.00 25.00 C ATOM 200 C SER A 13 -6.203 6.127 -15.818 1.00 25.00 C ATOM 201 O SER A 13 -6.900 6.322 -16.812 1.00 25.00 O ATOM 202 CB SER A 13 -6.231 3.866 -14.749 1.00 25.00 C ATOM 203 OG SER A 13 -5.538 2.631 -14.586 1.00 25.00 O ATOM 0 H SER A 13 -3.988 4.666 -14.111 1.00 25.00 H new ATOM 0 HA SER A 13 -5.267 4.363 -16.614 1.00 25.00 H new ATOM 0 HB2 SER A 13 -6.403 4.324 -13.775 1.00 25.00 H new ATOM 0 HB3 SER A 13 -7.210 3.685 -15.193 1.00 25.00 H new ATOM 0 HG SER A 13 -4.756 2.768 -14.012 1.00 25.00 H new ATOM 209 N GLN A 14 -6.027 7.053 -14.885 1.00 25.00 N ATOM 210 CA GLN A 14 -6.718 8.347 -14.931 1.00 25.00 C ATOM 211 C GLN A 14 -6.131 9.289 -15.980 1.00 25.00 C ATOM 212 O GLN A 14 -6.768 10.247 -16.394 1.00 25.00 O ATOM 213 CB GLN A 14 -6.645 9.020 -13.554 1.00 25.00 C ATOM 214 CG GLN A 14 -7.119 8.129 -12.367 1.00 25.00 C ATOM 215 CD GLN A 14 -8.613 7.839 -12.393 1.00 25.00 C ATOM 216 OE1 GLN A 14 -9.092 7.070 -13.190 1.00 25.00 O ATOM 217 NE2 GLN A 14 -9.343 8.452 -11.506 1.00 25.00 N ATOM 0 H GLN A 14 -5.410 6.937 -14.081 1.00 25.00 H new ATOM 0 HA GLN A 14 -7.753 8.148 -15.208 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -5.616 9.329 -13.370 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -7.251 9.926 -13.575 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -6.572 7.186 -12.388 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -6.868 8.622 -11.428 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -8.909 9.097 -10.845 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -10.349 8.288 -11.472 1.00 25.00 H new ATOM 226 N THR A 15 -4.892 9.029 -16.382 1.00 25.00 N ATOM 227 CA THR A 15 -4.169 9.922 -17.299 1.00 25.00 C ATOM 228 C THR A 15 -3.874 9.297 -18.654 1.00 25.00 C ATOM 229 O THR A 15 -3.208 9.906 -19.492 1.00 25.00 O ATOM 230 CB THR A 15 -2.809 10.315 -16.707 1.00 25.00 C ATOM 231 OG1 THR A 15 -2.053 9.135 -16.433 1.00 25.00 O ATOM 232 CG2 THR A 15 -2.964 11.052 -15.426 1.00 25.00 C ATOM 0 H THR A 15 -4.361 8.208 -16.091 1.00 25.00 H new ATOM 0 HA THR A 15 -4.830 10.778 -17.432 1.00 25.00 H new ATOM 0 HB THR A 15 -2.307 10.953 -17.434 1.00 25.00 H new ATOM 0 HG1 THR A 15 -1.154 9.227 -16.813 1.00 25.00 H new ATOM 0 HG21 THR A 15 -1.981 11.314 -15.036 1.00 25.00 H new ATOM 0 HG22 THR A 15 -3.541 11.961 -15.597 1.00 25.00 H new ATOM 0 HG23 THR A 15 -3.484 10.422 -14.705 1.00 25.00 H new ATOM 240 N ALA A 16 -4.347 8.080 -18.874 1.00 25.00 N ATOM 241 CA ALA A 16 -4.019 7.323 -20.079 1.00 25.00 C ATOM 242 C ALA A 16 -4.335 8.095 -21.380 1.00 25.00 C ATOM 243 O ALA A 16 -3.434 8.435 -22.171 1.00 25.00 O ATOM 244 CB ALA A 16 -4.775 5.980 -20.048 1.00 25.00 C ATOM 0 H ALA A 16 -4.966 7.589 -18.229 1.00 25.00 H new ATOM 0 HA ALA A 16 -2.943 7.151 -20.083 1.00 25.00 H new ATOM 0 HB1 ALA A 16 -4.536 5.407 -20.944 1.00 25.00 H new ATOM 0 HB2 ALA A 16 -4.476 5.414 -19.166 1.00 25.00 H new ATOM 0 HB3 ALA A 16 -5.848 6.167 -20.012 1.00 25.00 H new ATOM 250 N VAL A 17 -5.608 8.389 -21.605 1.00 25.00 N ATOM 251 CA VAL A 17 -6.016 9.076 -22.825 1.00 25.00 C ATOM 252 C VAL A 17 -5.585 10.548 -22.807 1.00 25.00 C ATOM 253 O VAL A 17 -5.349 11.155 -23.840 1.00 25.00 O ATOM 254 CB VAL A 17 -7.547 8.937 -23.049 1.00 25.00 C ATOM 255 CG1 VAL A 17 -8.364 9.748 -22.022 1.00 25.00 C ATOM 256 CG2 VAL A 17 -7.935 9.323 -24.496 1.00 25.00 C ATOM 0 H VAL A 17 -6.371 8.166 -20.966 1.00 25.00 H new ATOM 0 HA VAL A 17 -5.509 8.600 -23.665 1.00 25.00 H new ATOM 0 HB VAL A 17 -7.796 7.887 -22.897 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -9.428 9.619 -22.220 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -8.137 9.395 -21.016 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -8.105 10.804 -22.103 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -9.012 9.216 -24.625 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -7.647 10.357 -24.686 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -7.419 8.668 -25.198 1.00 25.00 H new ATOM 266 N GLN A 18 -5.412 11.088 -21.616 1.00 25.00 N ATOM 267 CA GLN A 18 -4.958 12.464 -21.448 1.00 25.00 C ATOM 268 C GLN A 18 -3.568 12.647 -22.070 1.00 25.00 C ATOM 269 O GLN A 18 -3.325 13.566 -22.859 1.00 25.00 O ATOM 270 CB GLN A 18 -4.926 12.789 -19.944 1.00 25.00 C ATOM 271 CG GLN A 18 -4.713 14.255 -19.633 1.00 25.00 C ATOM 272 CD GLN A 18 -4.645 14.502 -18.141 1.00 25.00 C ATOM 273 OE1 GLN A 18 -3.894 13.863 -17.428 1.00 25.00 O ATOM 274 NE2 GLN A 18 -5.443 15.413 -17.661 1.00 25.00 N ATOM 0 H GLN A 18 -5.580 10.593 -20.740 1.00 25.00 H new ATOM 0 HA GLN A 18 -5.642 13.145 -21.955 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -5.864 12.466 -19.493 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -4.131 12.210 -19.475 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -3.790 14.597 -20.102 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -5.525 14.841 -20.063 1.00 25.00 H new ATOM 0 HE21 GLN A 18 -6.060 15.931 -18.286 1.00 25.00 H new ATOM 0 HE22 GLN A 18 -5.450 15.608 -16.660 1.00 25.00 H new ATOM 283 N PHE A 19 -2.668 11.725 -21.760 1.00 25.00 N ATOM 284 CA PHE A 19 -1.351 11.750 -22.339 1.00 25.00 C ATOM 285 C PHE A 19 -1.391 11.422 -23.831 1.00 25.00 C ATOM 286 O PHE A 19 -0.578 11.911 -24.592 1.00 25.00 O ATOM 287 CB PHE A 19 -0.434 10.748 -21.642 1.00 25.00 C ATOM 288 CG PHE A 19 -0.119 11.081 -20.198 1.00 25.00 C ATOM 289 CD1 PHE A 19 -0.038 12.423 -19.750 1.00 25.00 C ATOM 290 CD2 PHE A 19 0.138 10.047 -19.283 1.00 25.00 C ATOM 291 CE1 PHE A 19 0.297 12.724 -18.410 1.00 25.00 C ATOM 292 CE2 PHE A 19 0.482 10.339 -17.945 1.00 25.00 C ATOM 293 CZ PHE A 19 0.562 11.689 -17.510 1.00 25.00 C ATOM 0 H PHE A 19 -2.834 10.956 -21.111 1.00 25.00 H new ATOM 0 HA PHE A 19 -0.964 12.760 -22.206 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -0.898 9.762 -21.681 1.00 25.00 H new ATOM 0 HB3 PHE A 19 0.501 10.683 -22.199 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -0.235 13.228 -20.443 1.00 25.00 H new ATOM 0 HD2 PHE A 19 0.072 9.019 -19.606 1.00 25.00 H new ATOM 0 HE1 PHE A 19 0.348 13.752 -18.083 1.00 25.00 H new ATOM 0 HE2 PHE A 19 0.684 9.536 -17.252 1.00 25.00 H new ATOM 0 HZ PHE A 19 0.827 11.914 -16.487 1.00 25.00 H new ATOM 303 N GLN A 20 -2.331 10.577 -24.247 1.00 25.00 N ATOM 304 CA GLN A 20 -2.431 10.196 -25.653 1.00 25.00 C ATOM 305 C GLN A 20 -2.775 11.402 -26.534 1.00 25.00 C ATOM 306 O GLN A 20 -2.211 11.566 -27.609 1.00 25.00 O ATOM 307 CB GLN A 20 -3.454 9.074 -25.817 1.00 25.00 C ATOM 308 CG GLN A 20 -3.350 8.330 -27.154 1.00 25.00 C ATOM 309 CD GLN A 20 -4.327 7.170 -27.248 1.00 25.00 C ATOM 310 OE1 GLN A 20 -4.628 6.526 -26.252 1.00 25.00 O ATOM 311 NE2 GLN A 20 -4.822 6.902 -28.442 1.00 25.00 N ATOM 0 H GLN A 20 -3.027 10.147 -23.638 1.00 25.00 H new ATOM 0 HA GLN A 20 -1.460 9.828 -25.983 1.00 25.00 H new ATOM 0 HB2 GLN A 20 -3.328 8.359 -25.004 1.00 25.00 H new ATOM 0 HB3 GLN A 20 -4.456 9.492 -25.722 1.00 25.00 H new ATOM 0 HG2 GLN A 20 -3.538 9.027 -27.970 1.00 25.00 H new ATOM 0 HG3 GLN A 20 -2.334 7.957 -27.281 1.00 25.00 H new ATOM 0 HE21 GLN A 20 -4.545 7.464 -29.247 1.00 25.00 H new ATOM 0 HE22 GLN A 20 -5.482 6.133 -28.560 1.00 25.00 H new ATOM 320 N GLN A 21 -3.648 12.267 -26.046 1.00 25.00 N ATOM 321 CA GLN A 21 -4.006 13.490 -26.760 1.00 25.00 C ATOM 322 C GLN A 21 -2.802 14.413 -26.875 1.00 25.00 C ATOM 323 O GLN A 21 -2.527 14.947 -27.945 1.00 25.00 O ATOM 324 CB GLN A 21 -5.145 14.207 -26.026 1.00 25.00 C ATOM 325 CG GLN A 21 -6.481 13.431 -26.078 1.00 25.00 C ATOM 326 CD GLN A 21 -7.488 13.901 -25.053 1.00 25.00 C ATOM 327 OE1 GLN A 21 -7.176 14.637 -24.148 1.00 25.00 O ATOM 328 NE2 GLN A 21 -8.708 13.491 -25.214 1.00 25.00 N ATOM 0 H GLN A 21 -4.127 12.147 -25.153 1.00 25.00 H new ATOM 0 HA GLN A 21 -4.336 13.223 -27.764 1.00 25.00 H new ATOM 0 HB2 GLN A 21 -4.860 14.359 -24.985 1.00 25.00 H new ATOM 0 HB3 GLN A 21 -5.288 15.195 -26.465 1.00 25.00 H new ATOM 0 HG2 GLN A 21 -6.913 13.532 -27.074 1.00 25.00 H new ATOM 0 HG3 GLN A 21 -6.283 12.370 -25.922 1.00 25.00 H new ATOM 0 HE21 GLN A 21 -8.939 12.869 -25.989 1.00 25.00 H new ATOM 0 HE22 GLN A 21 -9.436 13.790 -24.566 1.00 25.00 H new ATOM 337 N TYR A 22 -2.060 14.571 -25.782 1.00 25.00 N ATOM 338 CA TYR A 22 -0.867 15.418 -25.798 1.00 25.00 C ATOM 339 C TYR A 22 0.203 14.834 -26.719 1.00 25.00 C ATOM 340 O TYR A 22 0.851 15.552 -27.480 1.00 25.00 O ATOM 341 CB TYR A 22 -0.304 15.531 -24.388 1.00 25.00 C ATOM 342 CG TYR A 22 0.984 16.326 -24.316 1.00 25.00 C ATOM 343 CD1 TYR A 22 0.975 17.733 -24.394 1.00 25.00 C ATOM 344 CD2 TYR A 22 2.226 15.660 -24.173 1.00 25.00 C ATOM 345 CE1 TYR A 22 2.182 18.463 -24.329 1.00 25.00 C ATOM 346 CE2 TYR A 22 3.435 16.397 -24.076 1.00 25.00 C ATOM 347 CZ TYR A 22 3.397 17.789 -24.159 1.00 25.00 C ATOM 348 OH TYR A 22 4.567 18.492 -24.061 1.00 25.00 O ATOM 0 H TYR A 22 -2.259 14.130 -24.884 1.00 25.00 H new ATOM 0 HA TYR A 22 -1.150 16.403 -26.169 1.00 25.00 H new ATOM 0 HB2 TYR A 22 -1.048 16.000 -23.744 1.00 25.00 H new ATOM 0 HB3 TYR A 22 -0.127 14.530 -23.994 1.00 25.00 H new ATOM 0 HD1 TYR A 22 0.037 18.257 -24.504 1.00 25.00 H new ATOM 0 HD2 TYR A 22 2.253 14.581 -24.137 1.00 25.00 H new ATOM 0 HE1 TYR A 22 2.168 19.540 -24.410 1.00 25.00 H new ATOM 0 HE2 TYR A 22 4.376 15.885 -23.939 1.00 25.00 H new ATOM 0 HH TYR A 22 5.314 17.869 -23.945 1.00 25.00 H new ATOM 358 N ALA A 23 0.365 13.522 -26.701 1.00 25.00 N ATOM 359 CA ALA A 23 1.356 12.867 -27.550 1.00 25.00 C ATOM 360 C ALA A 23 1.048 13.087 -29.025 1.00 25.00 C ATOM 361 O ALA A 23 1.953 13.275 -29.829 1.00 25.00 O ATOM 362 CB ALA A 23 1.396 11.380 -27.220 1.00 25.00 C ATOM 0 H ALA A 23 -0.173 12.887 -26.111 1.00 25.00 H new ATOM 0 HA ALA A 23 2.335 13.305 -27.355 1.00 25.00 H new ATOM 0 HB1 ALA A 23 2.135 10.887 -27.852 1.00 25.00 H new ATOM 0 HB2 ALA A 23 1.667 11.247 -26.173 1.00 25.00 H new ATOM 0 HB3 ALA A 23 0.415 10.941 -27.399 1.00 25.00 H new ATOM 368 N ALA A 24 -0.229 13.124 -29.380 1.00 25.00 N ATOM 369 CA ALA A 24 -0.623 13.386 -30.761 1.00 25.00 C ATOM 370 C ALA A 24 -0.281 14.815 -31.183 1.00 25.00 C ATOM 371 O ALA A 24 -0.017 15.070 -32.351 1.00 25.00 O ATOM 372 CB ALA A 24 -2.116 13.122 -30.923 1.00 25.00 C ATOM 0 H ALA A 24 -1.007 12.977 -28.737 1.00 25.00 H new ATOM 0 HA ALA A 24 -0.063 12.714 -31.411 1.00 25.00 H new ATOM 0 HB1 ALA A 24 -2.410 13.318 -31.954 1.00 25.00 H new ATOM 0 HB2 ALA A 24 -2.331 12.082 -30.675 1.00 25.00 H new ATOM 0 HB3 ALA A 24 -2.676 13.777 -30.255 1.00 25.00 H new ATOM 378 N GLN A 25 -0.251 15.737 -30.226 1.00 25.00 N ATOM 379 CA GLN A 25 0.082 17.137 -30.502 1.00 25.00 C ATOM 380 C GLN A 25 1.589 17.307 -30.712 1.00 25.00 C ATOM 381 O GLN A 25 2.042 18.247 -31.358 1.00 25.00 O ATOM 382 CB GLN A 25 -0.381 18.009 -29.317 1.00 25.00 C ATOM 383 CG GLN A 25 -0.414 19.500 -29.589 1.00 25.00 C ATOM 384 CD GLN A 25 -0.831 20.291 -28.368 1.00 25.00 C ATOM 385 OE1 GLN A 25 -0.012 20.863 -27.677 1.00 25.00 O ATOM 386 NE2 GLN A 25 -2.117 20.278 -28.072 1.00 25.00 N ATOM 0 H GLN A 25 -0.454 15.542 -29.246 1.00 25.00 H new ATOM 0 HA GLN A 25 -0.427 17.448 -31.415 1.00 25.00 H new ATOM 0 HB2 GLN A 25 -1.379 17.688 -29.018 1.00 25.00 H new ATOM 0 HB3 GLN A 25 0.280 17.825 -28.470 1.00 25.00 H new ATOM 0 HG2 GLN A 25 0.572 19.831 -29.916 1.00 25.00 H new ATOM 0 HG3 GLN A 25 -1.106 19.704 -30.406 1.00 25.00 H new ATOM 0 HE21 GLN A 25 -2.775 19.786 -28.677 1.00 25.00 H new ATOM 0 HE22 GLN A 25 -2.453 20.760 -27.238 1.00 25.00 H new ATOM 395 N GLN A 26 2.355 16.405 -30.116 1.00 25.00 N ATOM 396 CA GLN A 26 3.821 16.469 -30.171 1.00 25.00 C ATOM 397 C GLN A 26 4.392 15.705 -31.356 1.00 25.00 C ATOM 398 O GLN A 26 5.229 16.213 -32.090 1.00 25.00 O ATOM 399 CB GLN A 26 4.401 15.875 -28.886 1.00 25.00 C ATOM 400 CG GLN A 26 4.349 16.817 -27.693 1.00 25.00 C ATOM 401 CD GLN A 26 5.284 18.016 -27.854 1.00 25.00 C ATOM 402 OE1 GLN A 26 6.447 17.857 -28.160 1.00 25.00 O ATOM 403 NE2 GLN A 26 4.777 19.203 -27.626 1.00 25.00 N ATOM 0 H GLN A 26 1.990 15.614 -29.585 1.00 25.00 H new ATOM 0 HA GLN A 26 4.095 17.518 -30.282 1.00 25.00 H new ATOM 0 HB2 GLN A 26 3.856 14.963 -28.641 1.00 25.00 H new ATOM 0 HB3 GLN A 26 5.437 15.588 -29.065 1.00 25.00 H new ATOM 0 HG2 GLN A 26 3.327 17.172 -27.559 1.00 25.00 H new ATOM 0 HG3 GLN A 26 4.617 16.269 -26.790 1.00 25.00 H new ATOM 0 HE21 GLN A 26 3.794 19.297 -27.371 1.00 25.00 H new ATOM 0 HE22 GLN A 26 5.365 20.032 -27.704 1.00 25.00 H new ATOM 412 N TYR A 27 3.938 14.465 -31.521 1.00 25.00 N ATOM 413 CA TYR A 27 4.424 13.595 -32.581 1.00 25.00 C ATOM 414 C TYR A 27 3.262 13.131 -33.459 1.00 25.00 C ATOM 415 O TYR A 27 2.842 11.974 -33.389 1.00 25.00 O ATOM 416 CB TYR A 27 5.168 12.409 -31.978 1.00 25.00 C ATOM 417 CG TYR A 27 6.395 12.780 -31.166 1.00 25.00 C ATOM 418 CD1 TYR A 27 7.332 13.711 -31.656 1.00 25.00 C ATOM 419 CD2 TYR A 27 6.636 12.194 -29.898 1.00 25.00 C ATOM 420 CE1 TYR A 27 8.483 14.059 -30.890 1.00 25.00 C ATOM 421 CE2 TYR A 27 7.788 12.526 -29.141 1.00 25.00 C ATOM 422 CZ TYR A 27 8.690 13.460 -29.651 1.00 25.00 C ATOM 423 OH TYR A 27 9.793 13.812 -28.914 1.00 25.00 O ATOM 0 H TYR A 27 3.227 14.040 -30.926 1.00 25.00 H new ATOM 0 HA TYR A 27 5.119 14.150 -33.211 1.00 25.00 H new ATOM 0 HB2 TYR A 27 4.481 11.852 -31.340 1.00 25.00 H new ATOM 0 HB3 TYR A 27 5.470 11.739 -32.783 1.00 25.00 H new ATOM 0 HD1 TYR A 27 7.177 14.166 -32.623 1.00 25.00 H new ATOM 0 HD2 TYR A 27 5.929 11.481 -29.501 1.00 25.00 H new ATOM 0 HE1 TYR A 27 9.190 14.783 -31.269 1.00 25.00 H new ATOM 0 HE2 TYR A 27 7.965 12.062 -28.182 1.00 25.00 H new ATOM 0 HH TYR A 27 9.798 13.309 -28.073 1.00 25.00 H new ATOM 433 N PRO A 28 2.698 14.030 -34.278 1.00 25.00 N ATOM 434 CA PRO A 28 1.557 13.565 -35.079 1.00 25.00 C ATOM 435 C PRO A 28 1.963 12.585 -36.184 1.00 25.00 C ATOM 436 O PRO A 28 2.964 12.767 -36.861 1.00 25.00 O ATOM 437 CB PRO A 28 0.995 14.880 -35.632 1.00 25.00 C ATOM 438 CG PRO A 28 2.156 15.763 -35.761 1.00 25.00 C ATOM 439 CD PRO A 28 2.995 15.458 -34.542 1.00 25.00 C ATOM 0 HA PRO A 28 0.832 12.991 -34.502 1.00 25.00 H new ATOM 0 HB2 PRO A 28 0.507 14.727 -36.594 1.00 25.00 H new ATOM 0 HB3 PRO A 28 0.249 15.304 -34.960 1.00 25.00 H new ATOM 0 HG2 PRO A 28 2.705 15.566 -36.681 1.00 25.00 H new ATOM 0 HG3 PRO A 28 1.858 16.811 -35.786 1.00 25.00 H new ATOM 0 HD2 PRO A 28 4.056 15.621 -34.732 1.00 25.00 H new ATOM 0 HD3 PRO A 28 2.722 16.089 -33.697 1.00 25.00 H new ATOM 447 N GLY A 29 1.194 11.510 -36.323 1.00 25.00 N ATOM 448 CA GLY A 29 1.500 10.496 -37.320 1.00 25.00 C ATOM 449 C GLY A 29 2.533 9.455 -36.890 1.00 25.00 C ATOM 450 O GLY A 29 2.697 8.438 -37.551 1.00 25.00 O ATOM 0 H GLY A 29 0.363 11.321 -35.763 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.577 9.981 -37.587 1.00 25.00 H new ATOM 0 HA3 GLY A 29 1.860 10.992 -38.221 1.00 25.00 H new ATOM 454 N ASN A 30 3.216 9.682 -35.766 1.00 25.00 N ATOM 455 CA ASN A 30 4.249 8.766 -35.293 1.00 25.00 C ATOM 456 C ASN A 30 3.772 8.010 -34.066 1.00 25.00 C ATOM 457 O ASN A 30 4.051 8.413 -32.945 1.00 25.00 O ATOM 458 CB ASN A 30 5.519 9.539 -34.919 1.00 25.00 C ATOM 459 CG ASN A 30 6.290 10.003 -36.112 1.00 25.00 C ATOM 460 OD1 ASN A 30 6.303 11.180 -36.431 1.00 25.00 O ATOM 461 ND2 ASN A 30 6.948 9.088 -36.771 1.00 25.00 N ATOM 0 H ASN A 30 3.070 10.495 -35.167 1.00 25.00 H new ATOM 0 HA ASN A 30 4.463 8.064 -36.099 1.00 25.00 H new ATOM 0 HB2 ASN A 30 5.247 10.401 -34.310 1.00 25.00 H new ATOM 0 HB3 ASN A 30 6.157 8.904 -34.305 1.00 25.00 H new ATOM 0 HD21 ASN A 30 7.501 9.347 -37.588 1.00 25.00 H new ATOM 0 HD22 ASN A 30 6.909 8.115 -36.469 1.00 25.00 H new ATOM 468 N TYR A 31 3.092 6.895 -34.272 1.00 25.00 N ATOM 469 CA TYR A 31 2.583 6.085 -33.164 1.00 25.00 C ATOM 470 C TYR A 31 3.679 5.658 -32.187 1.00 25.00 C ATOM 471 O TYR A 31 3.528 5.809 -30.996 1.00 25.00 O ATOM 472 CB TYR A 31 1.878 4.845 -33.709 1.00 25.00 C ATOM 473 CG TYR A 31 1.517 3.845 -32.639 1.00 25.00 C ATOM 474 CD1 TYR A 31 0.373 4.021 -31.845 1.00 25.00 C ATOM 475 CD2 TYR A 31 2.325 2.704 -32.420 1.00 25.00 C ATOM 476 CE1 TYR A 31 0.042 3.088 -30.815 1.00 25.00 C ATOM 477 CE2 TYR A 31 1.989 1.758 -31.426 1.00 25.00 C ATOM 478 CZ TYR A 31 0.853 1.953 -30.617 1.00 25.00 C ATOM 479 OH TYR A 31 0.543 1.045 -29.653 1.00 25.00 O ATOM 0 H TYR A 31 2.876 6.524 -35.197 1.00 25.00 H new ATOM 0 HA TYR A 31 1.882 6.711 -32.612 1.00 25.00 H new ATOM 0 HB2 TYR A 31 0.971 5.151 -34.231 1.00 25.00 H new ATOM 0 HB3 TYR A 31 2.522 4.363 -34.444 1.00 25.00 H new ATOM 0 HD1 TYR A 31 -0.267 4.874 -32.015 1.00 25.00 H new ATOM 0 HD2 TYR A 31 3.210 2.554 -33.021 1.00 25.00 H new ATOM 0 HE1 TYR A 31 -0.825 3.252 -30.192 1.00 25.00 H new ATOM 0 HE2 TYR A 31 2.605 0.882 -31.286 1.00 25.00 H new ATOM 0 HH TYR A 31 1.208 0.325 -29.656 1.00 25.00 H new ATOM 489 N GLU A 32 4.806 5.164 -32.684 1.00 25.00 N ATOM 490 CA GLU A 32 5.874 4.710 -31.805 1.00 25.00 C ATOM 491 C GLU A 32 6.393 5.856 -30.915 1.00 25.00 C ATOM 492 O GLU A 32 6.607 5.670 -29.729 1.00 25.00 O ATOM 493 CB GLU A 32 7.044 4.147 -32.644 1.00 25.00 C ATOM 494 CG GLU A 32 7.482 5.062 -33.788 1.00 25.00 C ATOM 495 CD GLU A 32 8.624 4.498 -34.591 1.00 25.00 C ATOM 496 OE1 GLU A 32 8.440 3.448 -35.230 1.00 25.00 O ATOM 497 OE2 GLU A 32 9.704 5.130 -34.581 1.00 25.00 O ATOM 0 H GLU A 32 5.002 5.068 -33.680 1.00 25.00 H new ATOM 0 HA GLU A 32 5.467 3.929 -31.162 1.00 25.00 H new ATOM 0 HB2 GLU A 32 7.896 3.969 -31.988 1.00 25.00 H new ATOM 0 HB3 GLU A 32 6.751 3.181 -33.056 1.00 25.00 H new ATOM 0 HG2 GLU A 32 6.634 5.239 -34.449 1.00 25.00 H new ATOM 0 HG3 GLU A 32 7.775 6.029 -33.380 1.00 25.00 H new ATOM 504 N GLN A 33 6.600 7.037 -31.487 1.00 25.00 N ATOM 505 CA GLN A 33 7.155 8.155 -30.739 1.00 25.00 C ATOM 506 C GLN A 33 6.155 8.668 -29.735 1.00 25.00 C ATOM 507 O GLN A 33 6.507 9.013 -28.600 1.00 25.00 O ATOM 508 CB GLN A 33 7.562 9.281 -31.670 1.00 25.00 C ATOM 509 CG GLN A 33 8.633 8.889 -32.713 1.00 25.00 C ATOM 510 CD GLN A 33 9.927 8.411 -32.088 1.00 25.00 C ATOM 511 OE1 GLN A 33 10.418 9.011 -31.153 1.00 25.00 O ATOM 512 NE2 GLN A 33 10.456 7.308 -32.572 1.00 25.00 N ATOM 0 H GLN A 33 6.392 7.243 -32.464 1.00 25.00 H new ATOM 0 HA GLN A 33 8.040 7.797 -30.213 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.677 9.642 -32.194 1.00 25.00 H new ATOM 0 HB3 GLN A 33 7.940 10.111 -31.073 1.00 25.00 H new ATOM 0 HG2 GLN A 33 8.235 8.103 -33.355 1.00 25.00 H new ATOM 0 HG3 GLN A 33 8.841 9.748 -33.351 1.00 25.00 H new ATOM 0 HE21 GLN A 33 10.014 6.833 -33.359 1.00 25.00 H new ATOM 0 HE22 GLN A 33 11.308 6.928 -32.161 1.00 25.00 H new ATOM 521 N GLN A 34 4.887 8.620 -30.103 1.00 25.00 N ATOM 522 CA GLN A 34 3.824 8.985 -29.168 1.00 25.00 C ATOM 523 C GLN A 34 3.892 8.056 -27.956 1.00 25.00 C ATOM 524 O GLN A 34 3.661 8.484 -26.836 1.00 25.00 O ATOM 525 CB GLN A 34 2.448 8.821 -29.830 1.00 25.00 C ATOM 526 CG GLN A 34 2.075 9.922 -30.816 1.00 25.00 C ATOM 527 CD GLN A 34 0.867 9.544 -31.641 1.00 25.00 C ATOM 528 OE1 GLN A 34 0.161 8.598 -31.343 1.00 25.00 O ATOM 529 NE2 GLN A 34 0.624 10.284 -32.675 1.00 25.00 N ATOM 0 H GLN A 34 4.565 8.337 -31.029 1.00 25.00 H new ATOM 0 HA GLN A 34 3.958 10.024 -28.869 1.00 25.00 H new ATOM 0 HB2 GLN A 34 2.423 7.864 -30.350 1.00 25.00 H new ATOM 0 HB3 GLN A 34 1.688 8.779 -29.050 1.00 25.00 H new ATOM 0 HG2 GLN A 34 1.871 10.844 -30.272 1.00 25.00 H new ATOM 0 HG3 GLN A 34 2.919 10.121 -31.476 1.00 25.00 H new ATOM 0 HE21 GLN A 34 1.237 11.069 -32.896 1.00 25.00 H new ATOM 0 HE22 GLN A 34 -0.180 10.082 -33.269 1.00 25.00 H new ATOM 538 N GLN A 35 4.193 6.783 -28.178 1.00 25.00 N ATOM 539 CA GLN A 35 4.169 5.803 -27.092 1.00 25.00 C ATOM 540 C GLN A 35 5.353 6.047 -26.169 1.00 25.00 C ATOM 541 O GLN A 35 5.225 5.938 -24.940 1.00 25.00 O ATOM 542 CB GLN A 35 4.252 4.363 -27.645 1.00 25.00 C ATOM 543 CG GLN A 35 2.973 3.896 -28.389 1.00 25.00 C ATOM 544 CD GLN A 35 1.803 3.591 -27.468 1.00 25.00 C ATOM 545 OE1 GLN A 35 1.870 2.700 -26.629 1.00 25.00 O ATOM 546 NE2 GLN A 35 0.739 4.320 -27.617 1.00 25.00 N ATOM 0 H GLN A 35 4.454 6.405 -29.088 1.00 25.00 H new ATOM 0 HA GLN A 35 3.232 5.916 -26.547 1.00 25.00 H new ATOM 0 HB2 GLN A 35 5.101 4.295 -28.326 1.00 25.00 H new ATOM 0 HB3 GLN A 35 4.450 3.679 -26.820 1.00 25.00 H new ATOM 0 HG2 GLN A 35 2.674 4.669 -29.097 1.00 25.00 H new ATOM 0 HG3 GLN A 35 3.208 3.004 -28.970 1.00 25.00 H new ATOM 0 HE21 GLN A 35 0.718 5.053 -28.326 1.00 25.00 H new ATOM 0 HE22 GLN A 35 -0.076 4.159 -27.025 1.00 25.00 H new ATOM 555 N ILE A 36 6.503 6.390 -26.744 1.00 25.00 N ATOM 556 CA ILE A 36 7.704 6.642 -25.953 1.00 25.00 C ATOM 557 C ILE A 36 7.437 7.834 -25.029 1.00 25.00 C ATOM 558 O ILE A 36 7.772 7.789 -23.845 1.00 25.00 O ATOM 559 CB ILE A 36 8.917 6.960 -26.900 1.00 25.00 C ATOM 560 CG1 ILE A 36 9.242 5.740 -27.765 1.00 25.00 C ATOM 561 CG2 ILE A 36 10.182 7.374 -26.079 1.00 25.00 C ATOM 562 CD1 ILE A 36 10.146 6.056 -28.964 1.00 25.00 C ATOM 0 H ILE A 36 6.628 6.499 -27.750 1.00 25.00 H new ATOM 0 HA ILE A 36 7.950 5.760 -25.362 1.00 25.00 H new ATOM 0 HB ILE A 36 8.633 7.796 -27.540 1.00 25.00 H new ATOM 0 HG12 ILE A 36 9.726 4.985 -27.145 1.00 25.00 H new ATOM 0 HG13 ILE A 36 8.311 5.305 -28.128 1.00 25.00 H new ATOM 0 HG21 ILE A 36 11.005 7.588 -26.761 1.00 25.00 H new ATOM 0 HG22 ILE A 36 9.958 8.264 -25.490 1.00 25.00 H new ATOM 0 HG23 ILE A 36 10.466 6.560 -25.413 1.00 25.00 H new ATOM 0 HD11 ILE A 36 10.333 5.143 -29.530 1.00 25.00 H new ATOM 0 HD12 ILE A 36 9.656 6.787 -29.607 1.00 25.00 H new ATOM 0 HD13 ILE A 36 11.093 6.462 -28.609 1.00 25.00 H new ATOM 574 N LEU A 37 6.801 8.877 -25.559 1.00 25.00 N ATOM 575 CA LEU A 37 6.485 10.048 -24.749 1.00 25.00 C ATOM 576 C LEU A 37 5.522 9.694 -23.615 1.00 25.00 C ATOM 577 O LEU A 37 5.783 10.000 -22.468 1.00 25.00 O ATOM 578 CB LEU A 37 5.887 11.141 -25.646 1.00 25.00 C ATOM 579 CG LEU A 37 5.468 12.458 -24.975 1.00 25.00 C ATOM 580 CD1 LEU A 37 6.645 13.104 -24.232 1.00 25.00 C ATOM 581 CD2 LEU A 37 4.919 13.407 -26.047 1.00 25.00 C ATOM 0 H LEU A 37 6.499 8.934 -26.531 1.00 25.00 H new ATOM 0 HA LEU A 37 7.404 10.417 -24.293 1.00 25.00 H new ATOM 0 HB2 LEU A 37 6.616 11.376 -26.422 1.00 25.00 H new ATOM 0 HB3 LEU A 37 5.012 10.725 -26.146 1.00 25.00 H new ATOM 0 HG LEU A 37 4.694 12.251 -24.236 1.00 25.00 H new ATOM 0 HD11 LEU A 37 6.316 14.034 -23.768 1.00 25.00 H new ATOM 0 HD12 LEU A 37 7.007 12.423 -23.462 1.00 25.00 H new ATOM 0 HD13 LEU A 37 7.449 13.315 -24.937 1.00 25.00 H new ATOM 0 HD21 LEU A 37 4.618 14.346 -25.582 1.00 25.00 H new ATOM 0 HD22 LEU A 37 5.692 13.602 -26.791 1.00 25.00 H new ATOM 0 HD23 LEU A 37 4.056 12.949 -26.531 1.00 25.00 H new ATOM 593 N ILE A 38 4.444 8.996 -23.926 1.00 25.00 N ATOM 594 CA ILE A 38 3.442 8.587 -22.924 1.00 25.00 C ATOM 595 C ILE A 38 4.070 7.775 -21.801 1.00 25.00 C ATOM 596 O ILE A 38 3.713 7.950 -20.638 1.00 25.00 O ATOM 597 CB ILE A 38 2.275 7.787 -23.608 1.00 25.00 C ATOM 598 CG1 ILE A 38 1.473 8.741 -24.513 1.00 25.00 C ATOM 599 CG2 ILE A 38 1.295 7.168 -22.566 1.00 25.00 C ATOM 600 CD1 ILE A 38 0.615 8.055 -25.573 1.00 25.00 C ATOM 0 H ILE A 38 4.227 8.691 -24.875 1.00 25.00 H new ATOM 0 HA ILE A 38 3.029 9.492 -22.479 1.00 25.00 H new ATOM 0 HB ILE A 38 2.726 6.976 -24.180 1.00 25.00 H new ATOM 0 HG12 ILE A 38 0.827 9.355 -23.886 1.00 25.00 H new ATOM 0 HG13 ILE A 38 2.169 9.416 -25.011 1.00 25.00 H new ATOM 0 HG21 ILE A 38 0.506 6.625 -23.086 1.00 25.00 H new ATOM 0 HG22 ILE A 38 1.840 6.482 -21.917 1.00 25.00 H new ATOM 0 HG23 ILE A 38 0.853 7.963 -21.965 1.00 25.00 H new ATOM 0 HD11 ILE A 38 0.089 8.809 -26.159 1.00 25.00 H new ATOM 0 HD12 ILE A 38 1.252 7.464 -26.230 1.00 25.00 H new ATOM 0 HD13 ILE A 38 -0.110 7.402 -25.087 1.00 25.00 H new ATOM 612 N ARG A 39 5.042 6.924 -22.117 1.00 25.00 N ATOM 613 CA ARG A 39 5.738 6.162 -21.067 1.00 25.00 C ATOM 614 C ARG A 39 6.442 7.111 -20.122 1.00 25.00 C ATOM 615 O ARG A 39 6.292 7.012 -18.910 1.00 25.00 O ATOM 616 CB ARG A 39 6.772 5.199 -21.666 1.00 25.00 C ATOM 617 CG ARG A 39 6.162 3.974 -22.332 1.00 25.00 C ATOM 618 CD ARG A 39 5.650 2.974 -21.305 1.00 25.00 C ATOM 619 NE ARG A 39 4.981 1.838 -21.955 1.00 25.00 N ATOM 620 CZ ARG A 39 4.462 0.791 -21.312 1.00 25.00 C ATOM 621 NH1 ARG A 39 4.548 0.666 -20.006 1.00 25.00 N ATOM 622 NH2 ARG A 39 3.837 -0.141 -21.985 1.00 25.00 N ATOM 0 H ARG A 39 5.365 6.742 -23.067 1.00 25.00 H new ATOM 0 HA ARG A 39 4.989 5.581 -20.529 1.00 25.00 H new ATOM 0 HB2 ARG A 39 7.373 5.737 -22.399 1.00 25.00 H new ATOM 0 HB3 ARG A 39 7.449 4.872 -20.877 1.00 25.00 H new ATOM 0 HG2 ARG A 39 5.342 4.282 -22.981 1.00 25.00 H new ATOM 0 HG3 ARG A 39 6.908 3.495 -22.967 1.00 25.00 H new ATOM 0 HD2 ARG A 39 6.482 2.612 -20.700 1.00 25.00 H new ATOM 0 HD3 ARG A 39 4.955 3.469 -20.627 1.00 25.00 H new ATOM 0 HE ARG A 39 4.908 1.851 -22.972 1.00 25.00 H new ATOM 0 HH11 ARG A 39 5.022 1.382 -19.455 1.00 25.00 H new ATOM 0 HH12 ARG A 39 4.141 -0.147 -19.544 1.00 25.00 H new ATOM 0 HH21 ARG A 39 3.748 -0.066 -22.998 1.00 25.00 H new ATOM 0 HH22 ARG A 39 3.439 -0.943 -21.496 1.00 25.00 H new ATOM 636 N GLN A 40 7.178 8.054 -20.679 1.00 25.00 N ATOM 637 CA GLN A 40 7.924 9.020 -19.879 1.00 25.00 C ATOM 638 C GLN A 40 6.973 9.837 -18.989 1.00 25.00 C ATOM 639 O GLN A 40 7.243 10.031 -17.811 1.00 25.00 O ATOM 640 CB GLN A 40 8.722 9.963 -20.799 1.00 25.00 C ATOM 641 CG GLN A 40 9.653 10.904 -20.057 1.00 25.00 C ATOM 642 CD GLN A 40 10.349 11.873 -20.992 1.00 25.00 C ATOM 643 OE1 GLN A 40 9.727 12.724 -21.599 1.00 25.00 O ATOM 644 NE2 GLN A 40 11.643 11.759 -21.091 1.00 25.00 N ATOM 0 H GLN A 40 7.279 8.176 -21.687 1.00 25.00 H new ATOM 0 HA GLN A 40 8.616 8.475 -19.238 1.00 25.00 H new ATOM 0 HB2 GLN A 40 9.307 9.364 -21.497 1.00 25.00 H new ATOM 0 HB3 GLN A 40 8.023 10.552 -21.393 1.00 25.00 H new ATOM 0 HG2 GLN A 40 9.085 11.463 -19.313 1.00 25.00 H new ATOM 0 HG3 GLN A 40 10.400 10.323 -19.517 1.00 25.00 H new ATOM 0 HE21 GLN A 40 12.133 11.033 -20.567 1.00 25.00 H new ATOM 0 HE22 GLN A 40 12.167 12.395 -21.692 1.00 25.00 H new ATOM 653 N LEU A 41 5.852 10.277 -19.547 1.00 25.00 N ATOM 654 CA LEU A 41 4.896 11.088 -18.788 1.00 25.00 C ATOM 655 C LEU A 41 4.259 10.304 -17.620 1.00 25.00 C ATOM 656 O LEU A 41 4.055 10.843 -16.539 1.00 25.00 O ATOM 657 CB LEU A 41 3.771 11.601 -19.698 1.00 25.00 C ATOM 658 CG LEU A 41 4.136 12.435 -20.929 1.00 25.00 C ATOM 659 CD1 LEU A 41 2.882 12.907 -21.654 1.00 25.00 C ATOM 660 CD2 LEU A 41 4.995 13.618 -20.586 1.00 25.00 C ATOM 0 H LEU A 41 5.580 10.091 -20.512 1.00 25.00 H new ATOM 0 HA LEU A 41 5.463 11.925 -18.380 1.00 25.00 H new ATOM 0 HB2 LEU A 41 3.206 10.735 -20.043 1.00 25.00 H new ATOM 0 HB3 LEU A 41 3.097 12.198 -19.084 1.00 25.00 H new ATOM 0 HG LEU A 41 4.713 11.783 -21.585 1.00 25.00 H new ATOM 0 HD11 LEU A 41 3.166 13.498 -22.525 1.00 25.00 H new ATOM 0 HD12 LEU A 41 2.300 12.043 -21.975 1.00 25.00 H new ATOM 0 HD13 LEU A 41 2.281 13.519 -20.981 1.00 25.00 H new ATOM 0 HD21 LEU A 41 5.225 14.176 -21.494 1.00 25.00 H new ATOM 0 HD22 LEU A 41 4.462 14.264 -19.888 1.00 25.00 H new ATOM 0 HD23 LEU A 41 5.922 13.274 -20.127 1.00 25.00 H new ATOM 672 N GLN A 42 3.992 9.026 -17.825 1.00 25.00 N ATOM 673 CA GLN A 42 3.387 8.208 -16.777 1.00 25.00 C ATOM 674 C GLN A 42 4.335 8.096 -15.581 1.00 25.00 C ATOM 675 O GLN A 42 3.911 8.216 -14.422 1.00 25.00 O ATOM 676 CB GLN A 42 3.071 6.798 -17.297 1.00 25.00 C ATOM 677 CG GLN A 42 1.831 6.718 -18.184 1.00 25.00 C ATOM 678 CD GLN A 42 1.670 5.356 -18.809 1.00 25.00 C ATOM 679 OE1 GLN A 42 0.906 4.535 -18.345 1.00 25.00 O ATOM 680 NE2 GLN A 42 2.386 5.122 -19.868 1.00 25.00 N ATOM 0 H GLN A 42 4.181 8.532 -18.697 1.00 25.00 H new ATOM 0 HA GLN A 42 2.460 8.691 -16.469 1.00 25.00 H new ATOM 0 HB2 GLN A 42 3.929 6.430 -17.859 1.00 25.00 H new ATOM 0 HB3 GLN A 42 2.938 6.131 -16.445 1.00 25.00 H new ATOM 0 HG2 GLN A 42 0.946 6.952 -17.592 1.00 25.00 H new ATOM 0 HG3 GLN A 42 1.898 7.471 -18.969 1.00 25.00 H new ATOM 0 HE21 GLN A 42 3.016 5.839 -20.226 1.00 25.00 H new ATOM 0 HE22 GLN A 42 2.317 4.221 -20.341 1.00 25.00 H new ATOM 689 N GLU A 43 5.615 7.891 -15.846 1.00 25.00 N ATOM 690 CA GLU A 43 6.592 7.775 -14.774 1.00 25.00 C ATOM 691 C GLU A 43 6.881 9.145 -14.148 1.00 25.00 C ATOM 692 O GLU A 43 7.004 9.266 -12.935 1.00 25.00 O ATOM 693 CB GLU A 43 7.871 7.151 -15.340 1.00 25.00 C ATOM 694 CG GLU A 43 7.642 5.743 -15.845 1.00 25.00 C ATOM 695 CD GLU A 43 8.881 5.132 -16.465 1.00 25.00 C ATOM 696 OE1 GLU A 43 9.976 5.730 -16.347 1.00 25.00 O ATOM 697 OE2 GLU A 43 8.756 4.030 -17.063 1.00 25.00 O ATOM 0 H GLU A 43 6.000 7.802 -16.786 1.00 25.00 H new ATOM 0 HA GLU A 43 6.194 7.136 -13.985 1.00 25.00 H new ATOM 0 HB2 GLU A 43 8.247 7.771 -16.154 1.00 25.00 H new ATOM 0 HB3 GLU A 43 8.640 7.138 -14.568 1.00 25.00 H new ATOM 0 HG2 GLU A 43 7.308 5.116 -15.019 1.00 25.00 H new ATOM 0 HG3 GLU A 43 6.839 5.753 -16.583 1.00 25.00 H new ATOM 704 N GLN A 44 6.907 10.190 -14.952 1.00 25.00 N ATOM 705 CA GLN A 44 7.092 11.550 -14.452 1.00 25.00 C ATOM 706 C GLN A 44 5.974 11.954 -13.482 1.00 25.00 C ATOM 707 O GLN A 44 6.228 12.539 -12.423 1.00 25.00 O ATOM 708 CB GLN A 44 7.116 12.538 -15.634 1.00 25.00 C ATOM 709 CG GLN A 44 7.429 13.977 -15.255 1.00 25.00 C ATOM 710 CD GLN A 44 7.337 14.895 -16.461 1.00 25.00 C ATOM 711 OE1 GLN A 44 6.255 15.268 -16.876 1.00 25.00 O ATOM 712 NE2 GLN A 44 8.458 15.265 -17.001 1.00 25.00 N ATOM 0 H GLN A 44 6.802 10.128 -15.965 1.00 25.00 H new ATOM 0 HA GLN A 44 8.039 11.580 -13.914 1.00 25.00 H new ATOM 0 HB2 GLN A 44 7.856 12.198 -16.358 1.00 25.00 H new ATOM 0 HB3 GLN A 44 6.147 12.511 -16.132 1.00 25.00 H new ATOM 0 HG2 GLN A 44 6.734 14.313 -14.485 1.00 25.00 H new ATOM 0 HG3 GLN A 44 8.430 14.034 -14.827 1.00 25.00 H new ATOM 0 HE21 GLN A 44 9.343 14.928 -16.621 1.00 25.00 H new ATOM 0 HE22 GLN A 44 8.454 15.892 -17.805 1.00 25.00 H new ATOM 721 N HIS A 45 4.745 11.621 -13.840 1.00 25.00 N ATOM 722 CA HIS A 45 3.598 11.937 -13.001 1.00 25.00 C ATOM 723 C HIS A 45 3.676 11.168 -11.683 1.00 25.00 C ATOM 724 O HIS A 45 3.293 11.661 -10.624 1.00 25.00 O ATOM 725 CB HIS A 45 2.300 11.611 -13.731 1.00 25.00 C ATOM 726 CG HIS A 45 1.144 12.472 -13.316 1.00 25.00 C ATOM 727 ND1 HIS A 45 0.666 12.579 -12.035 1.00 25.00 N ATOM 728 CD2 HIS A 45 0.375 13.312 -14.050 1.00 25.00 C ATOM 729 CE1 HIS A 45 -0.352 13.431 -12.047 1.00 25.00 C ATOM 730 NE2 HIS A 45 -0.566 13.913 -13.253 1.00 25.00 N ATOM 0 H HIS A 45 4.515 11.132 -14.705 1.00 25.00 H new ATOM 0 HA HIS A 45 3.612 13.004 -12.781 1.00 25.00 H new ATOM 0 HB2 HIS A 45 2.458 11.723 -14.804 1.00 25.00 H new ATOM 0 HB3 HIS A 45 2.046 10.566 -13.553 1.00 25.00 H new ATOM 0 HD1 HIS A 45 1.029 12.090 -11.217 1.00 25.00 H new ATOM 0 HD2 HIS A 45 0.487 13.484 -15.110 1.00 25.00 H new ATOM 0 HE1 HIS A 45 -0.932 13.696 -11.176 1.00 25.00 H new ATOM 738 N TYR A 46 4.249 9.986 -11.731 1.00 25.00 N ATOM 739 CA TYR A 46 4.436 9.201 -10.524 1.00 25.00 C ATOM 740 C TYR A 46 5.525 9.798 -9.650 1.00 25.00 C ATOM 741 O TYR A 46 5.377 9.857 -8.441 1.00 25.00 O ATOM 742 CB TYR A 46 4.777 7.769 -10.864 1.00 25.00 C ATOM 743 CG TYR A 46 4.823 6.891 -9.631 1.00 25.00 C ATOM 744 CD1 TYR A 46 3.680 6.720 -8.827 1.00 25.00 C ATOM 745 CD2 TYR A 46 6.025 6.237 -9.239 1.00 25.00 C ATOM 746 CE1 TYR A 46 3.715 5.905 -7.661 1.00 25.00 C ATOM 747 CE2 TYR A 46 6.065 5.417 -8.075 1.00 25.00 C ATOM 748 CZ TYR A 46 4.903 5.252 -7.307 1.00 25.00 C ATOM 749 OH TYR A 46 4.928 4.448 -6.185 1.00 25.00 O ATOM 0 H TYR A 46 4.593 9.547 -12.585 1.00 25.00 H new ATOM 0 HA TYR A 46 3.498 9.217 -9.970 1.00 25.00 H new ATOM 0 HB2 TYR A 46 4.038 7.376 -11.562 1.00 25.00 H new ATOM 0 HB3 TYR A 46 5.742 7.736 -11.369 1.00 25.00 H new ATOM 0 HD1 TYR A 46 2.760 7.216 -9.100 1.00 25.00 H new ATOM 0 HD2 TYR A 46 6.919 6.364 -9.832 1.00 25.00 H new ATOM 0 HE1 TYR A 46 2.830 5.790 -7.052 1.00 25.00 H new ATOM 0 HE2 TYR A 46 6.983 4.926 -7.786 1.00 25.00 H new ATOM 0 HH TYR A 46 4.398 3.640 -6.349 1.00 25.00 H new ATOM 759 N GLN A 47 6.613 10.274 -10.242 1.00 25.00 N ATOM 760 CA GLN A 47 7.659 10.945 -9.464 1.00 25.00 C ATOM 761 C GLN A 47 7.119 12.201 -8.775 1.00 25.00 C ATOM 762 O GLN A 47 7.463 12.465 -7.631 1.00 25.00 O ATOM 763 CB GLN A 47 8.834 11.340 -10.357 1.00 25.00 C ATOM 764 CG GLN A 47 9.678 10.170 -10.809 1.00 25.00 C ATOM 765 CD GLN A 47 11.047 10.597 -11.299 1.00 25.00 C ATOM 766 OE1 GLN A 47 12.056 10.270 -10.706 1.00 25.00 O ATOM 767 NE2 GLN A 47 11.081 11.336 -12.384 1.00 25.00 N ATOM 0 H GLN A 47 6.798 10.212 -11.243 1.00 25.00 H new ATOM 0 HA GLN A 47 7.997 10.238 -8.707 1.00 25.00 H new ATOM 0 HB2 GLN A 47 8.452 11.861 -11.235 1.00 25.00 H new ATOM 0 HB3 GLN A 47 9.467 12.045 -9.818 1.00 25.00 H new ATOM 0 HG2 GLN A 47 9.794 9.469 -9.982 1.00 25.00 H new ATOM 0 HG3 GLN A 47 9.159 9.639 -11.607 1.00 25.00 H new ATOM 0 HE21 GLN A 47 10.213 11.591 -12.855 1.00 25.00 H new ATOM 0 HE22 GLN A 47 11.976 11.655 -12.756 1.00 25.00 H new ATOM 776 N GLN A 48 6.246 12.936 -9.449 1.00 25.00 N ATOM 777 CA GLN A 48 5.615 14.121 -8.845 1.00 25.00 C ATOM 778 C GLN A 48 4.797 13.712 -7.612 1.00 25.00 C ATOM 779 O GLN A 48 4.897 14.317 -6.546 1.00 25.00 O ATOM 780 CB GLN A 48 4.728 14.810 -9.881 1.00 25.00 C ATOM 781 CG GLN A 48 4.068 16.115 -9.381 1.00 25.00 C ATOM 782 CD GLN A 48 5.070 17.227 -9.168 1.00 25.00 C ATOM 783 OE1 GLN A 48 5.715 17.306 -8.146 1.00 25.00 O ATOM 784 NE2 GLN A 48 5.172 18.109 -10.137 1.00 25.00 N ATOM 0 H GLN A 48 5.954 12.742 -10.407 1.00 25.00 H new ATOM 0 HA GLN A 48 6.387 14.820 -8.524 1.00 25.00 H new ATOM 0 HB2 GLN A 48 5.326 15.034 -10.764 1.00 25.00 H new ATOM 0 HB3 GLN A 48 3.947 14.117 -10.193 1.00 25.00 H new ATOM 0 HG2 GLN A 48 3.319 16.439 -10.103 1.00 25.00 H new ATOM 0 HG3 GLN A 48 3.545 15.918 -8.445 1.00 25.00 H new ATOM 0 HE21 GLN A 48 4.610 18.005 -10.982 1.00 25.00 H new ATOM 0 HE22 GLN A 48 5.813 18.897 -10.044 1.00 25.00 H new ATOM 793 N TYR A 49 4.021 12.651 -7.735 1.00 25.00 N ATOM 794 CA TYR A 49 3.244 12.151 -6.616 1.00 25.00 C ATOM 795 C TYR A 49 4.169 11.675 -5.471 1.00 25.00 C ATOM 796 O TYR A 49 3.889 11.880 -4.289 1.00 25.00 O ATOM 797 CB TYR A 49 2.351 10.997 -7.076 1.00 25.00 C ATOM 798 CG TYR A 49 1.376 10.530 -6.015 1.00 25.00 C ATOM 799 CD1 TYR A 49 0.362 11.387 -5.530 1.00 25.00 C ATOM 800 CD2 TYR A 49 1.439 9.213 -5.499 1.00 25.00 C ATOM 801 CE1 TYR A 49 -0.553 10.937 -4.555 1.00 25.00 C ATOM 802 CE2 TYR A 49 0.511 8.767 -4.539 1.00 25.00 C ATOM 803 CZ TYR A 49 -0.467 9.635 -4.071 1.00 25.00 C ATOM 804 OH TYR A 49 -1.365 9.208 -3.138 1.00 25.00 O ATOM 0 H TYR A 49 3.912 12.119 -8.598 1.00 25.00 H new ATOM 0 HA TYR A 49 2.622 12.963 -6.241 1.00 25.00 H new ATOM 0 HB2 TYR A 49 1.793 11.309 -7.959 1.00 25.00 H new ATOM 0 HB3 TYR A 49 2.979 10.158 -7.376 1.00 25.00 H new ATOM 0 HD1 TYR A 49 0.287 12.395 -5.909 1.00 25.00 H new ATOM 0 HD2 TYR A 49 2.210 8.541 -5.847 1.00 25.00 H new ATOM 0 HE1 TYR A 49 -1.319 11.602 -4.185 1.00 25.00 H new ATOM 0 HE2 TYR A 49 0.559 7.754 -4.168 1.00 25.00 H new ATOM 0 HH TYR A 49 -1.173 8.276 -2.902 1.00 25.00 H new ATOM 814 N MET A 50 5.297 11.087 -5.825 1.00 25.00 N ATOM 815 CA MET A 50 6.256 10.622 -4.829 1.00 25.00 C ATOM 816 C MET A 50 6.928 11.779 -4.109 1.00 25.00 C ATOM 817 O MET A 50 7.209 11.681 -2.922 1.00 25.00 O ATOM 818 CB MET A 50 7.318 9.761 -5.511 1.00 25.00 C ATOM 819 CG MET A 50 7.860 8.641 -4.632 1.00 25.00 C ATOM 820 SD MET A 50 7.064 7.069 -5.000 1.00 25.00 S ATOM 821 CE MET A 50 5.343 7.326 -4.390 1.00 25.00 C ATOM 0 H MET A 50 5.575 10.918 -6.792 1.00 25.00 H new ATOM 0 HA MET A 50 5.713 10.037 -4.087 1.00 25.00 H new ATOM 0 HB2 MET A 50 6.894 9.327 -6.416 1.00 25.00 H new ATOM 0 HB3 MET A 50 8.145 10.399 -5.821 1.00 25.00 H new ATOM 0 HG2 MET A 50 8.936 8.549 -4.781 1.00 25.00 H new ATOM 0 HG3 MET A 50 7.704 8.892 -3.583 1.00 25.00 H new ATOM 0 HE1 MET A 50 4.792 6.387 -4.448 1.00 25.00 H new ATOM 0 HE2 MET A 50 5.371 7.667 -3.355 1.00 25.00 H new ATOM 0 HE3 MET A 50 4.847 8.076 -5.006 1.00 25.00 H new ATOM 831 N GLN A 51 7.172 12.871 -4.821 1.00 25.00 N ATOM 832 CA GLN A 51 7.835 14.026 -4.235 1.00 25.00 C ATOM 833 C GLN A 51 6.894 14.680 -3.237 1.00 25.00 C ATOM 834 O GLN A 51 7.301 15.017 -2.129 1.00 25.00 O ATOM 835 CB GLN A 51 8.228 15.010 -5.344 1.00 25.00 C ATOM 836 CG GLN A 51 9.345 16.020 -4.976 1.00 25.00 C ATOM 837 CD GLN A 51 8.888 17.096 -4.006 1.00 25.00 C ATOM 838 OE1 GLN A 51 7.760 17.528 -4.021 1.00 25.00 O ATOM 839 NE2 GLN A 51 9.781 17.524 -3.165 1.00 25.00 N ATOM 0 H GLN A 51 6.921 12.980 -5.804 1.00 25.00 H new ATOM 0 HA GLN A 51 8.742 13.718 -3.715 1.00 25.00 H new ATOM 0 HB2 GLN A 51 8.551 14.439 -6.214 1.00 25.00 H new ATOM 0 HB3 GLN A 51 7.341 15.569 -5.641 1.00 25.00 H new ATOM 0 HG2 GLN A 51 10.184 15.479 -4.539 1.00 25.00 H new ATOM 0 HG3 GLN A 51 9.711 16.494 -5.887 1.00 25.00 H new ATOM 0 HE21 GLN A 51 10.724 17.136 -3.181 1.00 25.00 H new ATOM 0 HE22 GLN A 51 9.539 18.248 -2.488 1.00 25.00 H new ATOM 848 N GLN A 52 5.612 14.753 -3.588 1.00 25.00 N ATOM 849 CA GLN A 52 4.611 15.288 -2.669 1.00 25.00 C ATOM 850 C GLN A 52 4.569 14.421 -1.415 1.00 25.00 C ATOM 851 O GLN A 52 4.619 14.926 -0.303 1.00 25.00 O ATOM 852 CB GLN A 52 3.242 15.304 -3.362 1.00 25.00 C ATOM 853 CG GLN A 52 2.084 15.832 -2.490 1.00 25.00 C ATOM 854 CD GLN A 52 2.085 17.350 -2.331 1.00 25.00 C ATOM 855 OE1 GLN A 52 3.111 17.977 -2.168 1.00 25.00 O ATOM 856 NE2 GLN A 52 0.909 17.922 -2.350 1.00 25.00 N ATOM 0 H GLN A 52 5.245 14.452 -4.491 1.00 25.00 H new ATOM 0 HA GLN A 52 4.869 16.308 -2.384 1.00 25.00 H new ATOM 0 HB2 GLN A 52 3.312 15.918 -4.260 1.00 25.00 H new ATOM 0 HB3 GLN A 52 3.002 14.291 -3.686 1.00 25.00 H new ATOM 0 HG2 GLN A 52 1.137 15.521 -2.931 1.00 25.00 H new ATOM 0 HG3 GLN A 52 2.143 15.371 -1.504 1.00 25.00 H new ATOM 0 HE21 GLN A 52 0.070 17.359 -2.490 1.00 25.00 H new ATOM 0 HE22 GLN A 52 0.831 18.931 -2.225 1.00 25.00 H new ATOM 865 N LEU A 53 4.509 13.107 -1.593 1.00 25.00 N ATOM 866 CA LEU A 53 4.444 12.203 -0.460 1.00 25.00 C ATOM 867 C LEU A 53 5.718 12.241 0.367 1.00 25.00 C ATOM 868 O LEU A 53 5.673 11.998 1.552 1.00 25.00 O ATOM 869 CB LEU A 53 4.173 10.774 -0.922 1.00 25.00 C ATOM 870 CG LEU A 53 2.691 10.440 -1.198 1.00 25.00 C ATOM 871 CD1 LEU A 53 2.639 9.036 -1.781 1.00 25.00 C ATOM 872 CD2 LEU A 53 1.825 10.514 0.070 1.00 25.00 C ATOM 0 H LEU A 53 4.504 12.650 -2.505 1.00 25.00 H new ATOM 0 HA LEU A 53 3.620 12.540 0.170 1.00 25.00 H new ATOM 0 HB2 LEU A 53 4.746 10.589 -1.831 1.00 25.00 H new ATOM 0 HB3 LEU A 53 4.548 10.087 -0.163 1.00 25.00 H new ATOM 0 HG LEU A 53 2.286 11.177 -1.892 1.00 25.00 H new ATOM 0 HD11 LEU A 53 1.603 8.766 -1.989 1.00 25.00 H new ATOM 0 HD12 LEU A 53 3.215 9.005 -2.706 1.00 25.00 H new ATOM 0 HD13 LEU A 53 3.061 8.329 -1.067 1.00 25.00 H new ATOM 0 HD21 LEU A 53 0.792 10.270 -0.180 1.00 25.00 H new ATOM 0 HD22 LEU A 53 2.197 9.803 0.807 1.00 25.00 H new ATOM 0 HD23 LEU A 53 1.870 11.522 0.483 1.00 25.00 H new ATOM 884 N TYR A 54 6.835 12.581 -0.237 1.00 25.00 N ATOM 885 CA TYR A 54 8.096 12.701 0.498 1.00 25.00 C ATOM 886 C TYR A 54 8.017 13.885 1.472 1.00 25.00 C ATOM 887 O TYR A 54 8.495 13.781 2.590 1.00 25.00 O ATOM 888 CB TYR A 54 9.274 12.869 -0.475 1.00 25.00 C ATOM 889 CG TYR A 54 10.415 13.718 0.050 1.00 25.00 C ATOM 890 CD1 TYR A 54 11.428 13.157 0.859 1.00 25.00 C ATOM 891 CD2 TYR A 54 10.479 15.086 -0.261 1.00 25.00 C ATOM 892 CE1 TYR A 54 12.482 13.956 1.375 1.00 25.00 C ATOM 893 CE2 TYR A 54 11.527 15.888 0.238 1.00 25.00 C ATOM 894 CZ TYR A 54 12.532 15.312 1.045 1.00 25.00 C ATOM 895 OH TYR A 54 13.553 16.079 1.526 1.00 25.00 O ATOM 0 H TYR A 54 6.906 12.781 -1.235 1.00 25.00 H new ATOM 0 HA TYR A 54 8.263 11.788 1.070 1.00 25.00 H new ATOM 0 HB2 TYR A 54 9.661 11.882 -0.729 1.00 25.00 H new ATOM 0 HB3 TYR A 54 8.904 13.314 -1.399 1.00 25.00 H new ATOM 0 HD1 TYR A 54 11.400 12.102 1.089 1.00 25.00 H new ATOM 0 HD2 TYR A 54 9.719 15.528 -0.888 1.00 25.00 H new ATOM 0 HE1 TYR A 54 13.236 13.521 2.015 1.00 25.00 H new ATOM 0 HE2 TYR A 54 11.560 16.942 0.003 1.00 25.00 H new ATOM 0 HH TYR A 54 13.449 17.000 1.207 1.00 25.00 H new ATOM 905 N GLN A 55 7.369 14.972 1.080 1.00 25.00 N ATOM 906 CA GLN A 55 7.211 16.102 1.982 1.00 25.00 C ATOM 907 C GLN A 55 6.197 15.752 3.068 1.00 25.00 C ATOM 908 O GLN A 55 6.337 16.176 4.223 1.00 25.00 O ATOM 909 CB GLN A 55 6.774 17.349 1.209 1.00 25.00 C ATOM 910 CG GLN A 55 7.721 17.714 0.090 1.00 25.00 C ATOM 911 CD GLN A 55 7.501 19.120 -0.423 1.00 25.00 C ATOM 912 OE1 GLN A 55 7.686 20.082 0.302 1.00 25.00 O ATOM 913 NE2 GLN A 55 7.138 19.245 -1.659 1.00 25.00 N ATOM 0 H GLN A 55 6.950 15.095 0.158 1.00 25.00 H new ATOM 0 HA GLN A 55 8.169 16.320 2.453 1.00 25.00 H new ATOM 0 HB2 GLN A 55 5.779 17.183 0.796 1.00 25.00 H new ATOM 0 HB3 GLN A 55 6.696 18.189 1.900 1.00 25.00 H new ATOM 0 HG2 GLN A 55 8.748 17.616 0.442 1.00 25.00 H new ATOM 0 HG3 GLN A 55 7.597 17.008 -0.731 1.00 25.00 H new ATOM 0 HE21 GLN A 55 6.993 18.415 -2.234 1.00 25.00 H new ATOM 0 HE22 GLN A 55 6.997 20.173 -2.058 1.00 25.00 H new ATOM 922 N VAL A 56 5.194 14.958 2.716 1.00 25.00 N ATOM 923 CA VAL A 56 4.194 14.497 3.693 1.00 25.00 C ATOM 924 C VAL A 56 4.810 13.521 4.698 1.00 25.00 C ATOM 925 O VAL A 56 4.504 13.560 5.884 1.00 25.00 O ATOM 926 CB VAL A 56 2.975 13.805 2.965 1.00 25.00 C ATOM 927 CG1 VAL A 56 1.989 13.206 3.993 1.00 25.00 C ATOM 928 CG2 VAL A 56 2.232 14.853 2.093 1.00 25.00 C ATOM 0 H VAL A 56 5.044 14.616 1.767 1.00 25.00 H new ATOM 0 HA VAL A 56 3.837 15.375 4.232 1.00 25.00 H new ATOM 0 HB VAL A 56 3.358 13.000 2.338 1.00 25.00 H new ATOM 0 HG11 VAL A 56 1.158 12.735 3.468 1.00 25.00 H new ATOM 0 HG12 VAL A 56 2.504 12.461 4.600 1.00 25.00 H new ATOM 0 HG13 VAL A 56 1.609 13.999 4.637 1.00 25.00 H new ATOM 0 HG21 VAL A 56 1.390 14.377 1.590 1.00 25.00 H new ATOM 0 HG22 VAL A 56 1.866 15.660 2.727 1.00 25.00 H new ATOM 0 HG23 VAL A 56 2.917 15.259 1.349 1.00 25.00 H new ATOM 938 N GLN A 57 5.733 12.690 4.230 1.00 25.00 N ATOM 939 CA GLN A 57 6.465 11.788 5.107 1.00 25.00 C ATOM 940 C GLN A 57 7.227 12.604 6.133 1.00 25.00 C ATOM 941 O GLN A 57 7.154 12.359 7.327 1.00 25.00 O ATOM 942 CB GLN A 57 7.470 10.940 4.302 1.00 25.00 C ATOM 943 CG GLN A 57 6.869 9.722 3.601 1.00 25.00 C ATOM 944 CD GLN A 57 6.819 8.500 4.489 1.00 25.00 C ATOM 945 OE1 GLN A 57 6.479 8.585 5.647 1.00 25.00 O ATOM 946 NE2 GLN A 57 7.176 7.358 3.940 1.00 25.00 N ATOM 0 H GLN A 57 5.992 12.623 3.246 1.00 25.00 H new ATOM 0 HA GLN A 57 5.753 11.124 5.597 1.00 25.00 H new ATOM 0 HB2 GLN A 57 7.942 11.576 3.553 1.00 25.00 H new ATOM 0 HB3 GLN A 57 8.258 10.602 4.975 1.00 25.00 H new ATOM 0 HG2 GLN A 57 5.860 9.963 3.265 1.00 25.00 H new ATOM 0 HG3 GLN A 57 7.456 9.495 2.711 1.00 25.00 H new ATOM 0 HE21 GLN A 57 7.456 7.329 2.960 1.00 25.00 H new ATOM 0 HE22 GLN A 57 7.172 6.502 4.495 1.00 25.00 H new ATOM 955 N LEU A 58 7.912 13.633 5.661 1.00 25.00 N ATOM 956 CA LEU A 58 8.664 14.513 6.558 1.00 25.00 C ATOM 957 C LEU A 58 7.732 15.281 7.503 1.00 25.00 C ATOM 958 O LEU A 58 8.065 15.499 8.657 1.00 25.00 O ATOM 959 CB LEU A 58 9.495 15.496 5.758 1.00 25.00 C ATOM 960 CG LEU A 58 10.729 14.956 5.034 1.00 25.00 C ATOM 961 CD1 LEU A 58 11.363 16.078 4.244 1.00 25.00 C ATOM 962 CD2 LEU A 58 11.769 14.324 5.979 1.00 25.00 C ATOM 0 H LEU A 58 7.967 13.883 4.674 1.00 25.00 H new ATOM 0 HA LEU A 58 9.321 13.884 7.159 1.00 25.00 H new ATOM 0 HB2 LEU A 58 8.845 15.958 5.015 1.00 25.00 H new ATOM 0 HB3 LEU A 58 9.821 16.287 6.433 1.00 25.00 H new ATOM 0 HG LEU A 58 10.393 14.155 4.375 1.00 25.00 H new ATOM 0 HD11 LEU A 58 12.244 15.704 3.723 1.00 25.00 H new ATOM 0 HD12 LEU A 58 10.647 16.460 3.516 1.00 25.00 H new ATOM 0 HD13 LEU A 58 11.655 16.880 4.922 1.00 25.00 H new ATOM 0 HD21 LEU A 58 12.617 13.962 5.397 1.00 25.00 H new ATOM 0 HD22 LEU A 58 12.112 15.071 6.695 1.00 25.00 H new ATOM 0 HD23 LEU A 58 11.315 13.490 6.515 1.00 25.00 H new ATOM 974 N ALA A 59 6.543 15.631 7.034 1.00 25.00 N ATOM 975 CA ALA A 59 5.584 16.332 7.877 1.00 25.00 C ATOM 976 C ALA A 59 5.161 15.446 9.048 1.00 25.00 C ATOM 977 O ALA A 59 5.096 15.901 10.184 1.00 25.00 O ATOM 978 CB ALA A 59 4.346 16.743 7.069 1.00 25.00 C ATOM 0 H ALA A 59 6.221 15.444 6.084 1.00 25.00 H new ATOM 0 HA ALA A 59 6.066 17.231 8.261 1.00 25.00 H new ATOM 0 HB1 ALA A 59 3.644 17.265 7.719 1.00 25.00 H new ATOM 0 HB2 ALA A 59 4.646 17.403 6.255 1.00 25.00 H new ATOM 0 HB3 ALA A 59 3.868 15.854 6.658 1.00 25.00 H new ATOM 984 N GLN A 60 4.891 14.177 8.770 1.00 25.00 N ATOM 985 CA GLN A 60 4.481 13.273 9.825 1.00 25.00 C ATOM 986 C GLN A 60 5.627 13.034 10.800 1.00 25.00 C ATOM 987 O GLN A 60 5.417 12.928 12.008 1.00 25.00 O ATOM 988 CB GLN A 60 3.928 11.954 9.255 1.00 25.00 C ATOM 989 CG GLN A 60 2.640 12.151 8.468 1.00 25.00 C ATOM 990 CD GLN A 60 1.949 10.850 8.142 1.00 25.00 C ATOM 991 OE1 GLN A 60 1.047 10.430 8.824 1.00 25.00 O ATOM 992 NE2 GLN A 60 2.376 10.210 7.076 1.00 25.00 N ATOM 0 H GLN A 60 4.948 13.761 7.841 1.00 25.00 H new ATOM 0 HA GLN A 60 3.667 13.742 10.377 1.00 25.00 H new ATOM 0 HB2 GLN A 60 4.678 11.499 8.609 1.00 25.00 H new ATOM 0 HB3 GLN A 60 3.747 11.257 10.073 1.00 25.00 H new ATOM 0 HG2 GLN A 60 1.962 12.783 9.042 1.00 25.00 H new ATOM 0 HG3 GLN A 60 2.863 12.681 7.542 1.00 25.00 H new ATOM 0 HE21 GLN A 60 3.141 10.595 6.523 1.00 25.00 H new ATOM 0 HE22 GLN A 60 1.942 9.329 6.802 1.00 25.00 H new ATOM 1001 N GLN A 61 6.858 13.010 10.289 1.00 25.00 N ATOM 1002 CA GLN A 61 8.045 12.878 11.145 1.00 25.00 C ATOM 1003 C GLN A 61 8.141 14.065 12.105 1.00 25.00 C ATOM 1004 O GLN A 61 8.346 13.890 13.287 1.00 25.00 O ATOM 1005 CB GLN A 61 9.334 12.796 10.313 1.00 25.00 C ATOM 1006 CG GLN A 61 9.509 11.503 9.525 1.00 25.00 C ATOM 1007 CD GLN A 61 10.014 10.351 10.386 1.00 25.00 C ATOM 1008 OE1 GLN A 61 9.264 9.711 11.077 1.00 25.00 O ATOM 1009 NE2 GLN A 61 11.313 10.132 10.368 1.00 25.00 N ATOM 0 H GLN A 61 7.063 13.080 9.292 1.00 25.00 H new ATOM 0 HA GLN A 61 7.938 11.952 11.711 1.00 25.00 H new ATOM 0 HB2 GLN A 61 9.353 13.634 9.616 1.00 25.00 H new ATOM 0 HB3 GLN A 61 10.188 12.916 10.980 1.00 25.00 H new ATOM 0 HG2 GLN A 61 8.556 11.224 9.076 1.00 25.00 H new ATOM 0 HG3 GLN A 61 10.209 11.673 8.707 1.00 25.00 H new ATOM 0 HE21 GLN A 61 11.917 10.695 9.769 1.00 25.00 H new ATOM 0 HE22 GLN A 61 11.715 9.399 10.953 1.00 25.00 H new ATOM 1018 N GLN A 62 7.947 15.275 11.598 1.00 25.00 N ATOM 1019 CA GLN A 62 8.005 16.460 12.453 1.00 25.00 C ATOM 1020 C GLN A 62 6.860 16.485 13.442 1.00 25.00 C ATOM 1021 O GLN A 62 7.032 16.938 14.566 1.00 25.00 O ATOM 1022 CB GLN A 62 8.003 17.741 11.629 1.00 25.00 C ATOM 1023 CG GLN A 62 9.195 17.837 10.722 1.00 25.00 C ATOM 1024 CD GLN A 62 9.671 19.260 10.556 1.00 25.00 C ATOM 1025 OE1 GLN A 62 10.475 19.741 11.320 1.00 25.00 O ATOM 1026 NE2 GLN A 62 9.185 19.924 9.530 1.00 25.00 N ATOM 0 H GLN A 62 7.751 15.464 10.615 1.00 25.00 H new ATOM 0 HA GLN A 62 8.942 16.405 13.007 1.00 25.00 H new ATOM 0 HB2 GLN A 62 7.091 17.786 11.033 1.00 25.00 H new ATOM 0 HB3 GLN A 62 7.989 18.601 12.299 1.00 25.00 H new ATOM 0 HG2 GLN A 62 10.005 17.229 11.124 1.00 25.00 H new ATOM 0 HG3 GLN A 62 8.941 17.424 9.746 1.00 25.00 H new ATOM 0 HE21 GLN A 62 8.508 19.480 8.910 1.00 25.00 H new ATOM 0 HE22 GLN A 62 9.485 20.883 9.355 1.00 25.00 H new ATOM 1035 N ALA A 63 5.700 15.991 13.031 1.00 25.00 N ATOM 1036 CA ALA A 63 4.534 15.921 13.914 1.00 25.00 C ATOM 1037 C ALA A 63 4.756 14.971 15.091 1.00 25.00 C ATOM 1038 O ALA A 63 4.250 15.190 16.169 1.00 25.00 O ATOM 1039 CB ALA A 63 3.320 15.480 13.103 1.00 25.00 C ATOM 0 H ALA A 63 5.537 15.631 12.091 1.00 25.00 H new ATOM 0 HA ALA A 63 4.367 16.913 14.334 1.00 25.00 H new ATOM 0 HB1 ALA A 63 2.448 15.426 13.754 1.00 25.00 H new ATOM 0 HB2 ALA A 63 3.134 16.200 12.306 1.00 25.00 H new ATOM 0 HB3 ALA A 63 3.510 14.499 12.668 1.00 25.00 H new ATOM 1045 N ALA A 64 5.559 13.939 14.867 1.00 25.00 N ATOM 1046 CA ALA A 64 5.894 12.981 15.907 1.00 25.00 C ATOM 1047 C ALA A 64 6.991 13.529 16.822 1.00 25.00 C ATOM 1048 O ALA A 64 7.015 13.255 18.015 1.00 25.00 O ATOM 1049 CB ALA A 64 6.342 11.664 15.277 1.00 25.00 C ATOM 0 H ALA A 64 5.993 13.745 13.965 1.00 25.00 H new ATOM 0 HA ALA A 64 5.005 12.804 16.512 1.00 25.00 H new ATOM 0 HB1 ALA A 64 6.591 10.951 16.063 1.00 25.00 H new ATOM 0 HB2 ALA A 64 5.536 11.261 14.664 1.00 25.00 H new ATOM 0 HB3 ALA A 64 7.219 11.839 14.654 1.00 25.00 H new ATOM 1055 N LEU A 65 7.921 14.274 16.237 1.00 25.00 N ATOM 1056 CA LEU A 65 9.077 14.812 16.957 1.00 25.00 C ATOM 1057 C LEU A 65 8.686 15.978 17.844 1.00 25.00 C ATOM 1058 O LEU A 65 9.227 16.135 18.943 1.00 25.00 O ATOM 1059 CB LEU A 65 10.147 15.283 15.952 1.00 25.00 C ATOM 1060 CG LEU A 65 10.978 14.188 15.243 1.00 25.00 C ATOM 1061 CD1 LEU A 65 11.754 14.827 14.095 1.00 25.00 C ATOM 1062 CD2 LEU A 65 11.938 13.503 16.217 1.00 25.00 C ATOM 0 H LEU A 65 7.898 14.525 15.249 1.00 25.00 H new ATOM 0 HA LEU A 65 9.475 14.016 17.586 1.00 25.00 H new ATOM 0 HB2 LEU A 65 9.652 15.881 15.187 1.00 25.00 H new ATOM 0 HB3 LEU A 65 10.836 15.944 16.477 1.00 25.00 H new ATOM 0 HG LEU A 65 10.304 13.424 14.857 1.00 25.00 H new ATOM 0 HD11 LEU A 65 12.345 14.065 13.586 1.00 25.00 H new ATOM 0 HD12 LEU A 65 11.055 15.276 13.389 1.00 25.00 H new ATOM 0 HD13 LEU A 65 12.417 15.597 14.488 1.00 25.00 H new ATOM 0 HD21 LEU A 65 12.508 12.738 15.689 1.00 25.00 H new ATOM 0 HD22 LEU A 65 12.622 14.242 16.634 1.00 25.00 H new ATOM 0 HD23 LEU A 65 11.369 13.040 17.023 1.00 25.00 H new ATOM 1074 N GLN A 66 7.818 16.830 17.299 1.00 25.00 N ATOM 1075 CA GLN A 66 7.363 18.073 17.952 1.00 25.00 C ATOM 1076 C GLN A 66 8.553 18.889 18.489 1.00 25.00 C ATOM 1077 O GLN A 66 8.501 19.465 19.573 1.00 25.00 O ATOM 1078 CB GLN A 66 6.364 17.737 19.050 1.00 25.00 C ATOM 1079 CG GLN A 66 5.087 17.100 18.505 1.00 25.00 C ATOM 1080 CD GLN A 66 3.925 17.225 19.465 1.00 25.00 C ATOM 1081 OE1 GLN A 66 3.254 18.227 19.506 1.00 25.00 O ATOM 1082 NE2 GLN A 66 3.670 16.193 20.224 1.00 25.00 N ATOM 0 H GLN A 66 7.401 16.681 16.380 1.00 25.00 H new ATOM 0 HA GLN A 66 6.863 18.700 17.214 1.00 25.00 H new ATOM 0 HB2 GLN A 66 6.829 17.057 19.764 1.00 25.00 H new ATOM 0 HB3 GLN A 66 6.109 18.646 19.595 1.00 25.00 H new ATOM 0 HG2 GLN A 66 4.825 17.572 17.558 1.00 25.00 H new ATOM 0 HG3 GLN A 66 5.270 16.046 18.296 1.00 25.00 H new ATOM 0 HE21 GLN A 66 4.256 15.360 20.166 1.00 25.00 H new ATOM 0 HE22 GLN A 66 2.885 16.220 20.875 1.00 25.00 H new ATOM 1091 N LYS A 67 9.638 18.910 17.722 1.00 25.00 N ATOM 1092 CA LYS A 67 10.859 19.590 18.135 1.00 25.00 C ATOM 1093 C LYS A 67 11.205 20.696 17.161 1.00 25.00 C ATOM 1094 O LYS A 67 12.362 21.062 16.964 1.00 25.00 O ATOM 1095 CB LYS A 67 11.992 18.562 18.253 1.00 25.00 C ATOM 1096 CG LYS A 67 13.076 18.963 19.259 1.00 25.00 C ATOM 1097 CD LYS A 67 14.160 17.900 19.423 1.00 25.00 C ATOM 1098 CE LYS A 67 13.654 16.682 20.195 1.00 25.00 C ATOM 1099 NZ LYS A 67 14.776 15.734 20.466 1.00 25.00 N ATOM 0 H LYS A 67 9.696 18.462 16.808 1.00 25.00 H new ATOM 0 HA LYS A 67 10.711 20.055 19.109 1.00 25.00 H new ATOM 0 HB2 LYS A 67 11.571 17.601 18.548 1.00 25.00 H new ATOM 0 HB3 LYS A 67 12.450 18.423 17.274 1.00 25.00 H new ATOM 0 HG2 LYS A 67 13.536 19.897 18.936 1.00 25.00 H new ATOM 0 HG3 LYS A 67 12.613 19.154 20.227 1.00 25.00 H new ATOM 0 HD2 LYS A 67 14.512 17.586 18.440 1.00 25.00 H new ATOM 0 HD3 LYS A 67 15.015 18.331 19.945 1.00 25.00 H new ATOM 0 HE2 LYS A 67 13.204 17.001 21.135 1.00 25.00 H new ATOM 0 HE3 LYS A 67 12.875 16.179 19.623 1.00 25.00 H new ATOM 0 HZ1 LYS A 67 14.416 14.912 20.991 1.00 25.00 H new ATOM 0 HZ2 LYS A 67 15.188 15.417 19.565 1.00 25.00 H new ATOM 0 HZ3 LYS A 67 15.506 16.213 21.031 1.00 25.00 H new ATOM 1113 N GLN A 68 10.174 21.207 16.516 1.00 25.00 N ATOM 1114 CA GLN A 68 10.314 22.255 15.513 1.00 25.00 C ATOM 1115 C GLN A 68 9.548 23.478 15.972 1.00 25.00 C ATOM 1116 O GLN A 68 8.332 23.550 15.854 1.00 25.00 O ATOM 1117 CB GLN A 68 9.788 21.749 14.164 1.00 25.00 C ATOM 1118 CG GLN A 68 10.055 22.687 13.001 1.00 25.00 C ATOM 1119 CD GLN A 68 11.526 22.917 12.777 1.00 25.00 C ATOM 1120 OE1 GLN A 68 12.081 23.906 13.233 1.00 25.00 O ATOM 1121 NE2 GLN A 68 12.178 22.022 12.095 1.00 25.00 N ATOM 0 H GLN A 68 9.211 20.909 16.671 1.00 25.00 H new ATOM 0 HA GLN A 68 11.363 22.523 15.389 1.00 25.00 H new ATOM 0 HB2 GLN A 68 10.243 20.782 13.949 1.00 25.00 H new ATOM 0 HB3 GLN A 68 8.713 21.584 14.244 1.00 25.00 H new ATOM 0 HG2 GLN A 68 9.612 22.273 12.095 1.00 25.00 H new ATOM 0 HG3 GLN A 68 9.565 23.642 13.188 1.00 25.00 H new ATOM 0 HE21 GLN A 68 11.689 21.206 11.726 1.00 25.00 H new ATOM 0 HE22 GLN A 68 13.178 22.136 11.929 1.00 25.00 H new ATOM 1130 N GLN A 69 10.294 24.429 16.563 1.00 25.00 N ATOM 1131 CA GLN A 69 9.771 25.694 17.128 1.00 25.00 C ATOM 1132 C GLN A 69 8.403 25.543 17.872 1.00 25.00 C ATOM 1133 O GLN A 69 7.373 26.119 17.588 1.00 25.00 O ATOM 1134 CB GLN A 69 9.778 26.807 16.052 1.00 25.00 C ATOM 1135 CG GLN A 69 9.868 28.214 16.715 1.00 25.00 C ATOM 1136 CD GLN A 69 9.844 29.304 15.685 1.00 25.00 C ATOM 1137 OE1 GLN A 69 9.002 30.164 15.628 1.00 25.00 O ATOM 1138 NE2 GLN A 69 10.825 29.283 14.794 1.00 25.00 N ATOM 1139 OXT GLN A 69 8.498 24.790 18.934 1.00 25.00 O ATOM 0 H GLN A 69 11.305 24.340 16.665 1.00 25.00 H new ATOM 0 HA GLN A 69 10.453 26.000 17.921 1.00 25.00 H new ATOM 0 HB2 GLN A 69 10.622 26.663 15.378 1.00 25.00 H new ATOM 0 HB3 GLN A 69 8.873 26.741 15.448 1.00 25.00 H new ATOM 0 HG2 GLN A 69 9.036 28.346 17.407 1.00 25.00 H new ATOM 0 HG3 GLN A 69 10.784 28.284 17.301 1.00 25.00 H new ATOM 0 HE21 GLN A 69 11.540 28.556 14.839 1.00 25.00 H new ATOM 0 HE22 GLN A 69 10.865 29.993 14.063 1.00 25.00 H new TER 1149 GLN A 69