USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 846 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 23 CYS SG : rot 171:sc= 0.633 USER MOD Set 1.2: A 26 CYS SG : rot 90:sc= 0.0046 USER MOD Set 2.1: A 7 ASN : amide:sc= 0.966 K(o=2.4,f=0.93) USER MOD Set 2.2: A 60 TYR OH : rot -170:sc= 1.46 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 152:sc= 1.16 (180deg=0.674) USER MOD Single : A 11 GLN : amide:sc= -0.477 X(o=-0.48,f=-0.066) USER MOD Single : A 14 LYS NZ :NH3+ 166:sc= 1.66 (180deg=0.893) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.375 X(o=0.38,f=-0.022) USER MOD Single : A 34 SER OG : rot 82:sc= 1.17 USER MOD Single : A 35 GLN : amide:sc= 0.499 X(o=0.5,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0936 X(o=-0.094,f=-0.0089) USER MOD Single : A 49 THR OG1 : rot -39:sc= 0.214 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 1.06 K(o=1.1,f=-0.031) USER MOD Single : A 53 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.022) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0136 X(o=-0.014,f=-0.15) USER MOD Single : A 58 GLN : amide:sc= 0.253 X(o=0.25,f=-5.8e-05) USER MOD Single : A 62 GLN : amide:sc= 0.97 K(o=0.97,f=-5.3!) USER MOD Single : A 63 GLN : amide:sc= -0.292 K(o=-0.29,f=-3.1!) USER MOD Single : A 65 THR OG1 : rot -67:sc= 1.27 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.273 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 22:sc= -0.126 USER MOD Single : A 83 CYS SG : rot 140:sc= 0.159 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.409 K(o=-0.41,f=-1.8!) USER MOD Single : A 91 GLN : amide:sc= 0.197 X(o=0.2,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00679) USER MOD Single : A 101 GLN : amide:sc= -0.583 X(o=-0.58,f=-0.32) USER MOD Single : A 106 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -2.474 14.289 -8.487 1.00 0.00 N ATOM 2 CA ALA A 2 -2.202 12.890 -8.132 1.00 0.00 C ATOM 3 C ALA A 2 -3.181 11.861 -8.707 1.00 0.00 C ATOM 4 O ALA A 2 -2.847 10.676 -8.621 1.00 0.00 O ATOM 5 CB ALA A 2 -2.074 12.714 -6.621 1.00 0.00 C ATOM 0 HA ALA A 2 -1.247 12.676 -8.613 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.873 11.667 -6.392 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.255 13.330 -6.251 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.003 13.019 -6.139 1.00 0.00 H new ATOM 13 N GLN A 3 -4.335 12.224 -9.299 1.00 0.00 N ATOM 14 CA GLN A 3 -5.331 11.316 -9.901 1.00 0.00 C ATOM 15 C GLN A 3 -4.814 10.578 -11.163 1.00 0.00 C ATOM 16 O GLN A 3 -5.558 10.299 -12.100 1.00 0.00 O ATOM 17 CB GLN A 3 -6.632 12.100 -10.192 1.00 0.00 C ATOM 18 CG GLN A 3 -7.870 11.193 -10.337 1.00 0.00 C ATOM 19 CD GLN A 3 -8.949 11.781 -11.245 1.00 0.00 C ATOM 20 OE1 GLN A 3 -9.363 12.928 -11.089 1.00 0.00 O ATOM 21 NE2 GLN A 3 -9.453 11.004 -12.189 1.00 0.00 N ATOM 0 H GLN A 3 -4.611 13.203 -9.374 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.535 10.528 -9.176 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -6.806 12.814 -9.387 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.503 12.677 -11.108 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -7.559 10.226 -10.733 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -8.295 11.011 -9.350 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -9.102 10.054 -12.309 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -10.193 11.355 -12.797 1.00 0.00 H new ATOM 30 N GLU A 4 -3.536 10.231 -11.206 1.00 0.00 N ATOM 31 CA GLU A 4 -2.821 9.655 -12.326 1.00 0.00 C ATOM 32 C GLU A 4 -1.546 9.073 -11.738 1.00 0.00 C ATOM 33 O GLU A 4 -1.384 7.864 -11.816 1.00 0.00 O ATOM 34 CB GLU A 4 -2.547 10.723 -13.387 1.00 0.00 C ATOM 35 CG GLU A 4 -1.614 10.236 -14.502 1.00 0.00 C ATOM 36 CD GLU A 4 -1.194 11.430 -15.358 1.00 0.00 C ATOM 37 OE1 GLU A 4 -0.236 12.148 -14.977 1.00 0.00 O ATOM 38 OE2 GLU A 4 -1.847 11.692 -16.390 1.00 0.00 O ATOM 0 H GLU A 4 -2.930 10.356 -10.395 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.392 8.878 -12.835 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.492 11.042 -13.826 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.106 11.598 -12.909 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.736 9.753 -14.074 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.119 9.491 -15.117 1.00 0.00 H new ATOM 45 N PHE A 5 -0.706 9.864 -11.058 1.00 0.00 N ATOM 46 CA PHE A 5 0.515 9.327 -10.461 1.00 0.00 C ATOM 47 C PHE A 5 0.197 8.165 -9.519 1.00 0.00 C ATOM 48 O PHE A 5 0.766 7.091 -9.689 1.00 0.00 O ATOM 49 CB PHE A 5 1.351 10.396 -9.751 1.00 0.00 C ATOM 50 CG PHE A 5 2.630 9.815 -9.165 1.00 0.00 C ATOM 51 CD1 PHE A 5 3.699 9.467 -10.013 1.00 0.00 C ATOM 52 CD2 PHE A 5 2.730 9.547 -7.786 1.00 0.00 C ATOM 53 CE1 PHE A 5 4.857 8.865 -9.490 1.00 0.00 C ATOM 54 CE2 PHE A 5 3.894 8.954 -7.260 1.00 0.00 C ATOM 55 CZ PHE A 5 4.957 8.610 -8.112 1.00 0.00 C ATOM 0 H PHE A 5 -0.849 10.863 -10.911 1.00 0.00 H new ATOM 0 HA PHE A 5 1.125 8.953 -11.283 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.601 11.189 -10.456 1.00 0.00 H new ATOM 0 HB3 PHE A 5 0.760 10.851 -8.956 1.00 0.00 H new ATOM 0 HD1 PHE A 5 3.629 9.664 -11.073 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.910 9.797 -7.129 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.671 8.598 -10.148 1.00 0.00 H new ATOM 0 HE2 PHE A 5 3.970 8.763 -6.200 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.848 8.151 -7.709 1.00 0.00 H new ATOM 65 N VAL A 6 -0.729 8.351 -8.572 1.00 0.00 N ATOM 66 CA VAL A 6 -1.205 7.276 -7.706 1.00 0.00 C ATOM 67 C VAL A 6 -1.929 6.213 -8.543 1.00 0.00 C ATOM 68 O VAL A 6 -1.635 5.027 -8.408 1.00 0.00 O ATOM 69 CB VAL A 6 -2.058 7.894 -6.570 1.00 0.00 C ATOM 70 CG1 VAL A 6 -3.167 7.008 -5.988 1.00 0.00 C ATOM 71 CG2 VAL A 6 -1.136 8.335 -5.422 1.00 0.00 C ATOM 0 H VAL A 6 -1.168 9.253 -8.387 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.379 6.751 -7.225 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.575 8.728 -7.045 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.692 7.551 -5.202 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.870 6.740 -6.777 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.728 6.102 -5.571 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.734 8.770 -4.622 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.592 7.471 -5.040 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.427 9.077 -5.789 1.00 0.00 H new ATOM 81 N ASN A 7 -2.864 6.611 -9.410 1.00 0.00 N ATOM 82 CA ASN A 7 -3.774 5.670 -10.067 1.00 0.00 C ATOM 83 C ASN A 7 -3.014 4.705 -10.970 1.00 0.00 C ATOM 84 O ASN A 7 -3.143 3.495 -10.811 1.00 0.00 O ATOM 85 CB ASN A 7 -4.881 6.402 -10.842 1.00 0.00 C ATOM 86 CG ASN A 7 -5.929 7.011 -9.918 1.00 0.00 C ATOM 87 OD1 ASN A 7 -5.935 6.808 -8.709 1.00 0.00 O ATOM 88 ND2 ASN A 7 -6.841 7.806 -10.437 1.00 0.00 N ATOM 0 H ASN A 7 -3.011 7.585 -9.674 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.256 5.084 -9.285 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.436 7.189 -11.451 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.364 5.705 -11.526 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.539 8.243 -9.835 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.850 7.985 -11.441 1.00 0.00 H new ATOM 95 N CYS A 8 -2.195 5.232 -11.880 1.00 0.00 N ATOM 96 CA CYS A 8 -1.328 4.472 -12.770 1.00 0.00 C ATOM 97 C CYS A 8 -0.175 3.773 -12.022 1.00 0.00 C ATOM 98 O CYS A 8 0.593 3.028 -12.641 1.00 0.00 O ATOM 99 CB CYS A 8 -0.777 5.388 -13.871 1.00 0.00 C ATOM 100 SG CYS A 8 -2.109 6.104 -14.873 1.00 0.00 S ATOM 0 H CYS A 8 -2.117 6.239 -12.020 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.934 3.684 -13.218 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.190 6.188 -13.420 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.103 4.821 -14.513 1.00 0.00 H new ATOM 0 HG CYS A 8 -1.598 6.872 -15.789 1.00 0.00 H new ATOM 106 N LYS A 9 -0.005 4.000 -10.710 1.00 0.00 N ATOM 107 CA LYS A 9 0.882 3.186 -9.885 1.00 0.00 C ATOM 108 C LYS A 9 0.258 1.859 -9.496 1.00 0.00 C ATOM 109 O LYS A 9 1.019 0.916 -9.272 1.00 0.00 O ATOM 110 CB LYS A 9 1.410 3.956 -8.659 1.00 0.00 C ATOM 111 CG LYS A 9 2.934 4.133 -8.702 1.00 0.00 C ATOM 112 CD LYS A 9 3.505 4.855 -9.932 1.00 0.00 C ATOM 113 CE LYS A 9 4.955 4.460 -10.226 1.00 0.00 C ATOM 114 NZ LYS A 9 5.071 3.029 -10.592 1.00 0.00 N ATOM 0 H LYS A 9 -0.477 4.748 -10.201 1.00 0.00 H new ATOM 0 HA LYS A 9 1.746 2.953 -10.507 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.933 4.935 -8.613 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.133 3.423 -7.749 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.239 4.683 -7.811 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.394 3.147 -8.641 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.887 4.628 -10.801 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.451 5.932 -9.774 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.342 5.076 -11.038 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.572 4.663 -9.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.893 2.895 -11.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.193 2.459 -9.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.208 2.727 -11.088 1.00 0.00 H new ATOM 128 N ILE A 10 -1.069 1.752 -9.428 1.00 0.00 N ATOM 129 CA ILE A 10 -1.737 0.505 -9.104 1.00 0.00 C ATOM 130 C ILE A 10 -2.313 -0.064 -10.404 1.00 0.00 C ATOM 131 O ILE A 10 -2.392 0.606 -11.432 1.00 0.00 O ATOM 132 CB ILE A 10 -2.807 0.694 -7.993 1.00 0.00 C ATOM 133 CG1 ILE A 10 -2.552 1.812 -6.944 1.00 0.00 C ATOM 134 CG2 ILE A 10 -3.000 -0.617 -7.206 1.00 0.00 C ATOM 135 CD1 ILE A 10 -3.663 2.867 -7.001 1.00 0.00 C ATOM 0 H ILE A 10 -1.705 2.531 -9.597 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.028 -0.209 -8.685 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.685 0.999 -8.561 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.506 1.378 -5.945 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.587 2.282 -7.132 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.752 -0.469 -6.431 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.328 -1.404 -7.885 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.056 -0.907 -6.744 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.468 3.642 -6.260 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.689 3.314 -7.995 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.623 2.396 -6.789 1.00 0.00 H new ATOM 147 N GLN A 11 -2.730 -1.320 -10.340 1.00 0.00 N ATOM 148 CA GLN A 11 -3.483 -2.069 -11.333 1.00 0.00 C ATOM 149 C GLN A 11 -4.225 -3.169 -10.552 1.00 0.00 C ATOM 150 O GLN A 11 -3.845 -3.454 -9.404 1.00 0.00 O ATOM 151 CB GLN A 11 -2.515 -2.667 -12.376 1.00 0.00 C ATOM 152 CG GLN A 11 -1.406 -3.514 -11.718 1.00 0.00 C ATOM 153 CD GLN A 11 -1.163 -4.925 -12.250 1.00 0.00 C ATOM 154 OE1 GLN A 11 -0.069 -5.452 -12.088 1.00 0.00 O ATOM 155 NE2 GLN A 11 -2.150 -5.621 -12.786 1.00 0.00 N ATOM 0 H GLN A 11 -2.532 -1.891 -9.518 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.189 -1.444 -11.881 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.075 -3.285 -13.077 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.061 -1.861 -12.953 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.471 -2.961 -11.802 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.635 -3.594 -10.655 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.063 -5.188 -12.924 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.999 -6.591 -13.062 1.00 0.00 H new ATOM 164 N PRO A 12 -5.232 -3.840 -11.128 1.00 0.00 N ATOM 165 CA PRO A 12 -5.915 -4.951 -10.474 1.00 0.00 C ATOM 166 C PRO A 12 -5.088 -6.249 -10.531 1.00 0.00 C ATOM 167 O PRO A 12 -5.530 -7.278 -11.050 1.00 0.00 O ATOM 168 CB PRO A 12 -7.263 -5.033 -11.188 1.00 0.00 C ATOM 169 CG PRO A 12 -6.943 -4.577 -12.609 1.00 0.00 C ATOM 170 CD PRO A 12 -5.907 -3.481 -12.369 1.00 0.00 C ATOM 0 HA PRO A 12 -6.053 -4.799 -9.403 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.664 -6.046 -11.173 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.006 -4.389 -10.718 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.544 -5.389 -13.217 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.826 -4.198 -13.124 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.200 -3.423 -13.196 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.383 -2.504 -12.287 1.00 0.00 H new ATOM 178 N GLY A 13 -3.900 -6.225 -9.930 1.00 0.00 N ATOM 179 CA GLY A 13 -3.030 -7.383 -9.783 1.00 0.00 C ATOM 180 C GLY A 13 -1.615 -7.085 -9.282 1.00 0.00 C ATOM 181 O GLY A 13 -0.759 -7.953 -9.386 1.00 0.00 O ATOM 0 H GLY A 13 -3.509 -5.376 -9.522 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.501 -8.084 -9.094 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.957 -7.885 -10.748 1.00 0.00 H new ATOM 185 N LYS A 14 -1.354 -5.904 -8.710 1.00 0.00 N ATOM 186 CA LYS A 14 -0.095 -5.565 -8.035 1.00 0.00 C ATOM 187 C LYS A 14 -0.413 -5.240 -6.581 1.00 0.00 C ATOM 188 O LYS A 14 -1.561 -4.912 -6.263 1.00 0.00 O ATOM 189 CB LYS A 14 0.580 -4.382 -8.761 1.00 0.00 C ATOM 190 CG LYS A 14 2.093 -4.514 -8.979 1.00 0.00 C ATOM 191 CD LYS A 14 2.670 -3.411 -9.879 1.00 0.00 C ATOM 192 CE LYS A 14 2.493 -2.024 -9.245 1.00 0.00 C ATOM 193 NZ LYS A 14 2.985 -0.935 -10.107 1.00 0.00 N ATOM 0 H LYS A 14 -2.028 -5.139 -8.703 1.00 0.00 H new ATOM 0 HA LYS A 14 0.606 -6.399 -8.062 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.101 -4.254 -9.732 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.391 -3.473 -8.190 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.597 -4.487 -8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.307 -5.486 -9.423 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.729 -3.600 -10.056 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.175 -3.435 -10.850 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.437 -1.861 -9.028 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.022 -1.995 -8.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.634 -0.024 -9.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.025 -0.931 -10.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.644 -1.080 -11.079 1.00 0.00 H new ATOM 207 N VAL A 15 0.584 -5.303 -5.710 1.00 0.00 N ATOM 208 CA VAL A 15 0.482 -4.979 -4.303 1.00 0.00 C ATOM 209 C VAL A 15 1.238 -3.670 -4.101 1.00 0.00 C ATOM 210 O VAL A 15 2.459 -3.660 -4.032 1.00 0.00 O ATOM 211 CB VAL A 15 1.074 -6.134 -3.475 1.00 0.00 C ATOM 212 CG1 VAL A 15 0.855 -5.829 -1.998 1.00 0.00 C ATOM 213 CG2 VAL A 15 0.430 -7.490 -3.788 1.00 0.00 C ATOM 0 H VAL A 15 1.523 -5.594 -5.981 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.550 -4.853 -3.975 1.00 0.00 H new ATOM 0 HB VAL A 15 2.132 -6.208 -3.728 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.268 -6.637 -1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.353 -4.894 -1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.213 -5.738 -1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.891 -8.262 -3.172 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.638 -7.444 -3.574 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.579 -7.729 -4.841 1.00 0.00 H new ATOM 223 N VAL A 16 0.547 -2.543 -4.050 1.00 0.00 N ATOM 224 CA VAL A 16 1.213 -1.250 -3.984 1.00 0.00 C ATOM 225 C VAL A 16 1.116 -0.748 -2.548 1.00 0.00 C ATOM 226 O VAL A 16 0.181 -1.103 -1.823 1.00 0.00 O ATOM 227 CB VAL A 16 0.618 -0.327 -5.063 1.00 0.00 C ATOM 228 CG1 VAL A 16 1.364 1.005 -5.198 1.00 0.00 C ATOM 229 CG2 VAL A 16 0.737 -1.035 -6.424 1.00 0.00 C ATOM 0 H VAL A 16 -0.472 -2.496 -4.053 1.00 0.00 H new ATOM 0 HA VAL A 16 2.277 -1.298 -4.214 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.411 -0.121 -4.769 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.894 1.608 -5.975 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.326 1.541 -4.250 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.403 0.814 -5.466 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.321 -0.397 -7.204 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.787 -1.234 -6.640 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.188 -1.976 -6.394 1.00 0.00 H new ATOM 239 N VAL A 17 2.084 0.058 -2.119 1.00 0.00 N ATOM 240 CA VAL A 17 2.005 0.815 -0.883 1.00 0.00 C ATOM 241 C VAL A 17 2.518 2.219 -1.159 1.00 0.00 C ATOM 242 O VAL A 17 3.696 2.380 -1.464 1.00 0.00 O ATOM 243 CB VAL A 17 2.797 0.155 0.260 1.00 0.00 C ATOM 244 CG1 VAL A 17 2.244 0.681 1.594 1.00 0.00 C ATOM 245 CG2 VAL A 17 2.798 -1.379 0.215 1.00 0.00 C ATOM 0 H VAL A 17 2.955 0.202 -2.630 1.00 0.00 H new ATOM 0 HA VAL A 17 0.967 0.845 -0.550 1.00 0.00 H new ATOM 0 HB VAL A 17 3.846 0.429 0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.791 0.226 2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.361 1.764 1.635 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.187 0.427 1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.377 -1.767 1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.774 -1.746 0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.244 -1.715 -0.721 1.00 0.00 H new ATOM 255 N PHE A 18 1.667 3.238 -1.050 1.00 0.00 N ATOM 256 CA PHE A 18 2.145 4.616 -1.038 1.00 0.00 C ATOM 257 C PHE A 18 2.765 4.842 0.343 1.00 0.00 C ATOM 258 O PHE A 18 2.090 4.624 1.354 1.00 0.00 O ATOM 259 CB PHE A 18 0.999 5.595 -1.374 1.00 0.00 C ATOM 260 CG PHE A 18 0.330 5.260 -2.686 1.00 0.00 C ATOM 261 CD1 PHE A 18 1.049 5.453 -3.878 1.00 0.00 C ATOM 262 CD2 PHE A 18 -0.963 4.707 -2.726 1.00 0.00 C ATOM 263 CE1 PHE A 18 0.507 5.043 -5.104 1.00 0.00 C ATOM 264 CE2 PHE A 18 -1.513 4.309 -3.957 1.00 0.00 C ATOM 265 CZ PHE A 18 -0.768 4.463 -5.139 1.00 0.00 C ATOM 0 H PHE A 18 0.655 3.136 -0.970 1.00 0.00 H new ATOM 0 HA PHE A 18 2.898 4.801 -1.804 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.259 5.573 -0.574 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.392 6.611 -1.417 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.023 5.919 -3.849 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.531 4.589 -1.815 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.069 5.173 -6.017 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.506 3.886 -3.994 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.181 4.132 -6.080 1.00 0.00 H new ATOM 275 N ILE A 19 4.051 5.185 0.382 1.00 0.00 N ATOM 276 CA ILE A 19 4.907 5.293 1.562 1.00 0.00 C ATOM 277 C ILE A 19 5.787 6.537 1.465 1.00 0.00 C ATOM 278 O ILE A 19 5.808 7.220 0.451 1.00 0.00 O ATOM 279 CB ILE A 19 5.790 4.027 1.718 1.00 0.00 C ATOM 280 CG1 ILE A 19 6.610 3.660 0.457 1.00 0.00 C ATOM 281 CG2 ILE A 19 4.934 2.827 2.123 1.00 0.00 C ATOM 282 CD1 ILE A 19 8.053 4.169 0.466 1.00 0.00 C ATOM 0 H ILE A 19 4.559 5.411 -0.473 1.00 0.00 H new ATOM 0 HA ILE A 19 4.268 5.379 2.441 1.00 0.00 H new ATOM 0 HB ILE A 19 6.510 4.274 2.498 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.622 2.575 0.350 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.102 4.061 -0.420 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.568 1.947 2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.442 3.035 3.073 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.181 2.642 1.357 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.551 3.866 -0.455 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.055 5.257 0.539 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.582 3.748 1.321 1.00 0.00 H new ATOM 294 N LYS A 20 6.560 6.805 2.510 1.00 0.00 N ATOM 295 CA LYS A 20 7.690 7.732 2.544 1.00 0.00 C ATOM 296 C LYS A 20 8.892 6.891 2.998 1.00 0.00 C ATOM 297 O LYS A 20 8.678 5.837 3.605 1.00 0.00 O ATOM 298 CB LYS A 20 7.362 8.964 3.429 1.00 0.00 C ATOM 299 CG LYS A 20 6.277 8.735 4.497 1.00 0.00 C ATOM 300 CD LYS A 20 6.007 9.941 5.410 1.00 0.00 C ATOM 301 CE LYS A 20 5.333 11.116 4.681 1.00 0.00 C ATOM 302 NZ LYS A 20 5.006 12.219 5.609 1.00 0.00 N ATOM 0 H LYS A 20 6.407 6.355 3.412 1.00 0.00 H new ATOM 0 HA LYS A 20 7.921 8.177 1.576 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.276 9.287 3.927 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.045 9.782 2.782 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.348 8.460 3.998 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.570 7.887 5.116 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.374 9.626 6.239 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.949 10.281 5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.993 11.484 3.896 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.422 10.768 4.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.553 12.993 5.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.356 11.873 6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.878 12.568 6.055 1.00 0.00 H new ATOM 316 N PRO A 21 10.147 7.297 2.737 1.00 0.00 N ATOM 317 CA PRO A 21 11.330 6.449 2.910 1.00 0.00 C ATOM 318 C PRO A 21 11.740 6.285 4.381 1.00 0.00 C ATOM 319 O PRO A 21 12.828 5.789 4.670 1.00 0.00 O ATOM 320 CB PRO A 21 12.424 7.137 2.084 1.00 0.00 C ATOM 321 CG PRO A 21 12.062 8.616 2.184 1.00 0.00 C ATOM 322 CD PRO A 21 10.536 8.582 2.182 1.00 0.00 C ATOM 0 HA PRO A 21 11.138 5.429 2.576 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.417 6.938 2.487 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.424 6.792 1.050 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.457 9.070 3.093 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.457 9.188 1.344 1.00 0.00 H new ATOM 0 HD2 PRO A 21 10.130 9.400 2.777 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.147 8.700 1.171 1.00 0.00 H new ATOM 330 N THR A 22 10.900 6.736 5.308 1.00 0.00 N ATOM 331 CA THR A 22 11.147 6.810 6.733 1.00 0.00 C ATOM 332 C THR A 22 9.886 6.228 7.381 1.00 0.00 C ATOM 333 O THR A 22 9.688 5.029 7.197 1.00 0.00 O ATOM 334 CB THR A 22 11.695 8.172 7.168 1.00 0.00 C ATOM 335 OG1 THR A 22 11.558 8.448 8.546 1.00 0.00 O ATOM 336 CG2 THR A 22 11.039 9.232 6.337 1.00 0.00 C ATOM 0 H THR A 22 9.972 7.080 5.062 1.00 0.00 H new ATOM 0 HA THR A 22 11.980 6.209 7.096 1.00 0.00 H new ATOM 0 HB THR A 22 12.772 8.156 7.003 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.933 9.332 8.741 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.416 10.211 6.632 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.262 9.059 5.284 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.960 9.198 6.489 1.00 0.00 H new ATOM 344 N CYS A 23 9.017 7.063 7.980 1.00 0.00 N ATOM 345 CA CYS A 23 7.740 6.802 8.651 1.00 0.00 C ATOM 346 C CYS A 23 7.694 5.452 9.391 1.00 0.00 C ATOM 347 O CYS A 23 7.649 4.395 8.755 1.00 0.00 O ATOM 348 CB CYS A 23 6.572 6.991 7.674 1.00 0.00 C ATOM 349 SG CYS A 23 4.916 6.624 8.308 1.00 0.00 S ATOM 0 H CYS A 23 9.225 8.061 8.005 1.00 0.00 H new ATOM 0 HA CYS A 23 7.637 7.544 9.443 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.582 8.024 7.327 1.00 0.00 H new ATOM 0 HB3 CYS A 23 6.751 6.360 6.803 1.00 0.00 H new ATOM 0 HG CYS A 23 4.025 7.009 7.443 1.00 0.00 H new ATOM 354 N PRO A 24 7.575 5.433 10.727 1.00 0.00 N ATOM 355 CA PRO A 24 7.531 4.178 11.455 1.00 0.00 C ATOM 356 C PRO A 24 6.328 3.311 11.063 1.00 0.00 C ATOM 357 O PRO A 24 6.376 2.089 11.249 1.00 0.00 O ATOM 358 CB PRO A 24 7.532 4.574 12.933 1.00 0.00 C ATOM 359 CG PRO A 24 6.869 5.947 12.937 1.00 0.00 C ATOM 360 CD PRO A 24 7.350 6.561 11.623 1.00 0.00 C ATOM 0 HA PRO A 24 8.386 3.545 11.218 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.977 3.859 13.540 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.544 4.616 13.336 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.782 5.871 12.974 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.176 6.542 13.797 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.607 7.245 11.214 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.265 7.135 11.769 1.00 0.00 H new ATOM 368 N TYR A 25 5.280 3.893 10.477 1.00 0.00 N ATOM 369 CA TYR A 25 4.128 3.136 10.031 1.00 0.00 C ATOM 370 C TYR A 25 4.453 2.530 8.668 1.00 0.00 C ATOM 371 O TYR A 25 4.190 1.345 8.456 1.00 0.00 O ATOM 372 CB TYR A 25 2.889 4.036 10.013 1.00 0.00 C ATOM 373 CG TYR A 25 2.547 4.526 11.404 1.00 0.00 C ATOM 374 CD1 TYR A 25 1.734 3.765 12.264 1.00 0.00 C ATOM 375 CD2 TYR A 25 3.135 5.717 11.867 1.00 0.00 C ATOM 376 CE1 TYR A 25 1.527 4.181 13.590 1.00 0.00 C ATOM 377 CE2 TYR A 25 2.928 6.143 13.188 1.00 0.00 C ATOM 378 CZ TYR A 25 2.131 5.369 14.060 1.00 0.00 C ATOM 379 OH TYR A 25 1.952 5.763 15.352 1.00 0.00 O ATOM 0 H TYR A 25 5.214 4.896 10.303 1.00 0.00 H new ATOM 0 HA TYR A 25 3.900 2.319 10.715 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.065 4.889 9.358 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.043 3.486 9.600 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.268 2.859 11.904 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.749 6.307 11.202 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.906 3.593 14.250 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.377 7.061 13.537 1.00 0.00 H new ATOM 0 HH TYR A 25 2.437 6.600 15.509 1.00 0.00 H new ATOM 389 N CYS A 26 5.087 3.299 7.772 1.00 0.00 N ATOM 390 CA CYS A 26 5.500 2.812 6.463 1.00 0.00 C ATOM 391 C CYS A 26 6.504 1.671 6.650 1.00 0.00 C ATOM 392 O CYS A 26 6.396 0.654 5.961 1.00 0.00 O ATOM 393 CB CYS A 26 6.171 3.934 5.667 1.00 0.00 C ATOM 394 SG CYS A 26 4.920 5.124 5.114 1.00 0.00 S ATOM 0 H CYS A 26 5.325 4.276 7.942 1.00 0.00 H new ATOM 0 HA CYS A 26 4.622 2.463 5.920 1.00 0.00 H new ATOM 0 HB2 CYS A 26 6.916 4.436 6.285 1.00 0.00 H new ATOM 0 HB3 CYS A 26 6.697 3.519 4.807 1.00 0.00 H new ATOM 0 HG CYS A 26 4.775 6.051 6.014 1.00 0.00 H new ATOM 400 N ARG A 27 7.459 1.825 7.579 1.00 0.00 N ATOM 401 CA ARG A 27 8.438 0.800 7.931 1.00 0.00 C ATOM 402 C ARG A 27 7.733 -0.492 8.306 1.00 0.00 C ATOM 403 O ARG A 27 8.051 -1.537 7.743 1.00 0.00 O ATOM 404 CB ARG A 27 9.352 1.261 9.081 1.00 0.00 C ATOM 405 CG ARG A 27 10.556 0.307 9.155 1.00 0.00 C ATOM 406 CD ARG A 27 11.486 0.526 10.356 1.00 0.00 C ATOM 407 NE ARG A 27 12.592 -0.446 10.328 1.00 0.00 N ATOM 408 CZ ARG A 27 12.474 -1.773 10.440 1.00 0.00 C ATOM 409 NH1 ARG A 27 11.411 -2.313 11.024 1.00 0.00 N ATOM 410 NH2 ARG A 27 13.427 -2.532 9.923 1.00 0.00 N ATOM 0 H ARG A 27 7.570 2.686 8.115 1.00 0.00 H new ATOM 0 HA ARG A 27 9.066 0.625 7.057 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.688 2.284 8.912 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.806 1.257 10.024 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.187 -0.718 9.183 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.139 0.411 8.240 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.884 1.541 10.337 1.00 0.00 H new ATOM 0 HD3 ARG A 27 10.924 0.421 11.284 1.00 0.00 H new ATOM 0 HE ARG A 27 13.534 -0.073 10.213 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.673 -1.714 11.393 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.333 -3.327 11.103 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.224 -2.101 9.455 1.00 0.00 H new ATOM 0 HH22 ARG A 27 13.364 -3.548 9.993 1.00 0.00 H new ATOM 424 N ARG A 28 6.786 -0.432 9.252 1.00 0.00 N ATOM 425 CA ARG A 28 6.074 -1.632 9.670 1.00 0.00 C ATOM 426 C ARG A 28 5.445 -2.279 8.458 1.00 0.00 C ATOM 427 O ARG A 28 5.660 -3.463 8.246 1.00 0.00 O ATOM 428 CB ARG A 28 4.972 -1.340 10.688 1.00 0.00 C ATOM 429 CG ARG A 28 4.368 -2.664 11.202 1.00 0.00 C ATOM 430 CD ARG A 28 5.067 -3.197 12.464 1.00 0.00 C ATOM 431 NE ARG A 28 4.099 -3.448 13.542 1.00 0.00 N ATOM 432 CZ ARG A 28 3.516 -2.509 14.295 1.00 0.00 C ATOM 433 NH1 ARG A 28 4.028 -1.284 14.364 1.00 0.00 N ATOM 434 NH2 ARG A 28 2.400 -2.800 14.946 1.00 0.00 N ATOM 0 H ARG A 28 6.503 0.423 9.731 1.00 0.00 H new ATOM 0 HA ARG A 28 6.802 -2.290 10.145 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.378 -0.767 11.522 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.194 -0.729 10.230 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.310 -2.515 11.416 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.431 -3.415 10.414 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.598 -4.119 12.227 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.813 -2.477 12.801 1.00 0.00 H new ATOM 0 HE ARG A 28 3.852 -4.419 13.731 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.872 -1.054 13.840 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.576 -0.574 14.941 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.994 -3.733 14.870 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.947 -2.092 15.523 1.00 0.00 H new ATOM 448 N ALA A 29 4.627 -1.533 7.718 1.00 0.00 N ATOM 449 CA ALA A 29 3.876 -2.105 6.612 1.00 0.00 C ATOM 450 C ALA A 29 4.814 -2.787 5.610 1.00 0.00 C ATOM 451 O ALA A 29 4.474 -3.858 5.113 1.00 0.00 O ATOM 452 CB ALA A 29 3.032 -1.028 5.928 1.00 0.00 C ATOM 0 H ALA A 29 4.470 -0.536 7.866 1.00 0.00 H new ATOM 0 HA ALA A 29 3.204 -2.866 7.009 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.476 -1.472 5.102 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.334 -0.601 6.648 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.684 -0.243 5.546 1.00 0.00 H new ATOM 458 N GLN A 30 5.996 -2.217 5.348 1.00 0.00 N ATOM 459 CA GLN A 30 7.040 -2.815 4.554 1.00 0.00 C ATOM 460 C GLN A 30 7.434 -4.183 5.052 1.00 0.00 C ATOM 461 O GLN A 30 7.493 -5.113 4.260 1.00 0.00 O ATOM 462 CB GLN A 30 8.284 -1.891 4.541 1.00 0.00 C ATOM 463 CG GLN A 30 8.605 -1.459 3.113 1.00 0.00 C ATOM 464 CD GLN A 30 8.709 0.052 2.861 1.00 0.00 C ATOM 465 OE1 GLN A 30 9.462 0.501 2.005 1.00 0.00 O ATOM 466 NE2 GLN A 30 7.959 0.902 3.550 1.00 0.00 N ATOM 0 H GLN A 30 6.246 -1.294 5.702 1.00 0.00 H new ATOM 0 HA GLN A 30 6.647 -2.935 3.544 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.101 -1.014 5.162 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.138 -2.413 4.971 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.549 -1.919 2.822 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.837 -1.863 2.454 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.324 0.555 4.268 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.018 1.903 3.361 1.00 0.00 H new ATOM 475 N GLU A 31 7.742 -4.300 6.332 1.00 0.00 N ATOM 476 CA GLU A 31 8.290 -5.447 6.964 1.00 0.00 C ATOM 477 C GLU A 31 7.233 -6.532 7.089 1.00 0.00 C ATOM 478 O GLU A 31 7.474 -7.686 6.742 1.00 0.00 O ATOM 479 CB GLU A 31 8.724 -4.879 8.326 1.00 0.00 C ATOM 480 CG GLU A 31 9.491 -5.880 9.143 1.00 0.00 C ATOM 481 CD GLU A 31 9.366 -5.583 10.642 1.00 0.00 C ATOM 482 OE1 GLU A 31 10.043 -4.655 11.138 1.00 0.00 O ATOM 483 OE2 GLU A 31 8.505 -6.210 11.305 1.00 0.00 O ATOM 0 H GLU A 31 7.599 -3.531 6.987 1.00 0.00 H new ATOM 0 HA GLU A 31 9.111 -5.923 6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.340 -3.994 8.168 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.842 -4.559 8.881 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.120 -6.884 8.936 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.541 -5.863 8.852 1.00 0.00 H new ATOM 490 N ILE A 32 6.054 -6.143 7.567 1.00 0.00 N ATOM 491 CA ILE A 32 4.852 -6.945 7.633 1.00 0.00 C ATOM 492 C ILE A 32 4.621 -7.561 6.265 1.00 0.00 C ATOM 493 O ILE A 32 4.505 -8.780 6.176 1.00 0.00 O ATOM 494 CB ILE A 32 3.687 -6.045 8.107 1.00 0.00 C ATOM 495 CG1 ILE A 32 3.710 -5.984 9.646 1.00 0.00 C ATOM 496 CG2 ILE A 32 2.317 -6.491 7.598 1.00 0.00 C ATOM 497 CD1 ILE A 32 2.567 -5.164 10.253 1.00 0.00 C ATOM 0 H ILE A 32 5.912 -5.204 7.938 1.00 0.00 H new ATOM 0 HA ILE A 32 4.935 -7.762 8.349 1.00 0.00 H new ATOM 0 HB ILE A 32 3.840 -5.054 7.680 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.665 -6.999 10.041 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.660 -5.558 9.969 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.551 -5.812 7.972 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.312 -6.479 6.508 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.109 -7.501 7.950 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.653 -5.169 11.340 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.622 -4.138 9.889 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.612 -5.601 9.962 1.00 0.00 H new ATOM 509 N LEU A 33 4.533 -6.738 5.214 1.00 0.00 N ATOM 510 CA LEU A 33 4.155 -7.276 3.920 1.00 0.00 C ATOM 511 C LEU A 33 5.317 -8.080 3.351 1.00 0.00 C ATOM 512 O LEU A 33 5.077 -9.172 2.832 1.00 0.00 O ATOM 513 CB LEU A 33 3.711 -6.195 2.917 1.00 0.00 C ATOM 514 CG LEU A 33 2.287 -5.627 3.111 1.00 0.00 C ATOM 515 CD1 LEU A 33 1.951 -4.725 1.920 1.00 0.00 C ATOM 516 CD2 LEU A 33 1.201 -6.711 3.197 1.00 0.00 C ATOM 0 H LEU A 33 4.713 -5.734 5.237 1.00 0.00 H new ATOM 0 HA LEU A 33 3.288 -7.918 4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.419 -5.368 2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.780 -6.611 1.912 1.00 0.00 H new ATOM 0 HG LEU A 33 2.292 -5.086 4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.948 -4.317 2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.671 -3.908 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.995 -5.307 0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.227 -6.240 3.333 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.196 -7.295 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.408 -7.367 4.042 1.00 0.00 H new ATOM 528 N SER A 34 6.562 -7.586 3.444 1.00 0.00 N ATOM 529 CA SER A 34 7.671 -8.283 2.794 1.00 0.00 C ATOM 530 C SER A 34 8.042 -9.619 3.462 1.00 0.00 C ATOM 531 O SER A 34 8.891 -10.337 2.927 1.00 0.00 O ATOM 532 CB SER A 34 8.894 -7.371 2.685 1.00 0.00 C ATOM 533 OG SER A 34 8.528 -6.189 2.004 1.00 0.00 O ATOM 0 H SER A 34 6.816 -6.735 3.946 1.00 0.00 H new ATOM 0 HA SER A 34 7.321 -8.537 1.793 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.274 -7.131 3.678 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.697 -7.880 2.151 1.00 0.00 H new ATOM 0 HG SER A 34 8.095 -5.571 2.630 1.00 0.00 H new ATOM 539 N GLN A 35 7.432 -10.006 4.588 1.00 0.00 N ATOM 540 CA GLN A 35 7.636 -11.337 5.159 1.00 0.00 C ATOM 541 C GLN A 35 6.915 -12.418 4.355 1.00 0.00 C ATOM 542 O GLN A 35 7.339 -13.573 4.384 1.00 0.00 O ATOM 543 CB GLN A 35 7.140 -11.369 6.612 1.00 0.00 C ATOM 544 CG GLN A 35 8.212 -10.878 7.587 1.00 0.00 C ATOM 545 CD GLN A 35 7.587 -10.507 8.925 1.00 0.00 C ATOM 546 OE1 GLN A 35 7.330 -11.349 9.781 1.00 0.00 O ATOM 547 NE2 GLN A 35 7.296 -9.235 9.107 1.00 0.00 N ATOM 0 H GLN A 35 6.794 -9.415 5.120 1.00 0.00 H new ATOM 0 HA GLN A 35 8.705 -11.545 5.125 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.250 -10.747 6.706 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.848 -12.386 6.874 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.963 -11.655 7.733 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.726 -10.013 7.167 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.518 -8.552 8.383 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.848 -8.933 9.972 1.00 0.00 H new ATOM 556 N LEU A 36 5.828 -12.090 3.654 1.00 0.00 N ATOM 557 CA LEU A 36 4.989 -13.095 3.022 1.00 0.00 C ATOM 558 C LEU A 36 5.582 -13.532 1.680 1.00 0.00 C ATOM 559 O LEU A 36 6.199 -12.707 1.001 1.00 0.00 O ATOM 560 CB LEU A 36 3.583 -12.517 2.805 1.00 0.00 C ATOM 561 CG LEU A 36 2.717 -12.386 4.068 1.00 0.00 C ATOM 562 CD1 LEU A 36 2.419 -13.756 4.693 1.00 0.00 C ATOM 563 CD2 LEU A 36 3.256 -11.447 5.144 1.00 0.00 C ATOM 0 H LEU A 36 5.512 -11.131 3.513 1.00 0.00 H new ATOM 0 HA LEU A 36 4.934 -13.968 3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.681 -11.532 2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.057 -13.148 2.089 1.00 0.00 H new ATOM 0 HG LEU A 36 1.800 -11.926 3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.805 -13.624 5.584 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.885 -14.376 3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.355 -14.242 4.967 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.568 -11.429 5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.232 -11.798 5.478 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.353 -10.442 4.734 1.00 0.00 H new ATOM 575 N PRO A 37 5.348 -14.784 1.244 1.00 0.00 N ATOM 576 CA PRO A 37 5.663 -15.241 -0.103 1.00 0.00 C ATOM 577 C PRO A 37 4.618 -14.675 -1.072 1.00 0.00 C ATOM 578 O PRO A 37 3.707 -15.374 -1.517 1.00 0.00 O ATOM 579 CB PRO A 37 5.658 -16.772 -0.013 1.00 0.00 C ATOM 580 CG PRO A 37 4.596 -17.049 1.051 1.00 0.00 C ATOM 581 CD PRO A 37 4.751 -15.870 2.013 1.00 0.00 C ATOM 0 HA PRO A 37 6.628 -14.903 -0.479 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.403 -17.232 -0.968 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.633 -17.163 0.278 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.595 -17.089 0.621 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.766 -18.002 1.551 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.785 -15.572 2.420 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.383 -16.140 2.859 1.00 0.00 H new ATOM 589 N ILE A 38 4.698 -13.375 -1.345 1.00 0.00 N ATOM 590 CA ILE A 38 3.834 -12.691 -2.297 1.00 0.00 C ATOM 591 C ILE A 38 4.591 -12.792 -3.619 1.00 0.00 C ATOM 592 O ILE A 38 5.826 -12.766 -3.617 1.00 0.00 O ATOM 593 CB ILE A 38 3.685 -11.219 -1.832 1.00 0.00 C ATOM 594 CG1 ILE A 38 2.581 -11.185 -0.758 1.00 0.00 C ATOM 595 CG2 ILE A 38 3.281 -10.253 -2.976 1.00 0.00 C ATOM 596 CD1 ILE A 38 2.596 -9.892 0.066 1.00 0.00 C ATOM 0 H ILE A 38 5.379 -12.758 -0.901 1.00 0.00 H new ATOM 0 HA ILE A 38 2.831 -13.108 -2.386 1.00 0.00 H new ATOM 0 HB ILE A 38 4.653 -10.885 -1.458 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.609 -11.293 -1.239 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.703 -12.038 -0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.194 -9.240 -2.583 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.041 -10.275 -3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.323 -10.564 -3.394 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.797 -9.923 0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.556 -9.794 0.572 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.445 -9.038 -0.594 1.00 0.00 H new ATOM 608 N LYS A 39 3.870 -12.881 -4.740 1.00 0.00 N ATOM 609 CA LYS A 39 4.470 -12.974 -6.060 1.00 0.00 C ATOM 610 C LYS A 39 5.511 -11.871 -6.231 1.00 0.00 C ATOM 611 O LYS A 39 5.208 -10.690 -6.043 1.00 0.00 O ATOM 612 CB LYS A 39 3.418 -12.977 -7.174 1.00 0.00 C ATOM 613 CG LYS A 39 3.091 -14.401 -7.652 1.00 0.00 C ATOM 614 CD LYS A 39 4.001 -14.810 -8.806 1.00 0.00 C ATOM 615 CE LYS A 39 3.480 -14.247 -10.132 1.00 0.00 C ATOM 616 NZ LYS A 39 4.564 -14.074 -11.117 1.00 0.00 N ATOM 0 H LYS A 39 2.850 -12.890 -4.750 1.00 0.00 H new ATOM 0 HA LYS A 39 4.980 -13.933 -6.145 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.508 -12.497 -6.815 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.779 -12.386 -8.016 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.208 -15.102 -6.826 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.049 -14.452 -7.969 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.013 -14.448 -8.624 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.057 -15.897 -8.864 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.723 -14.917 -10.539 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.994 -13.288 -9.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.172 -13.691 -12.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.274 -13.415 -10.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.011 -14.994 -11.306 1.00 0.00 H new ATOM 630 N GLN A 40 6.737 -12.260 -6.558 1.00 0.00 N ATOM 631 CA GLN A 40 7.835 -11.320 -6.688 1.00 0.00 C ATOM 632 C GLN A 40 7.502 -10.409 -7.866 1.00 0.00 C ATOM 633 O GLN A 40 6.923 -10.857 -8.861 1.00 0.00 O ATOM 634 CB GLN A 40 9.151 -12.096 -6.860 1.00 0.00 C ATOM 635 CG GLN A 40 10.388 -11.349 -6.345 1.00 0.00 C ATOM 636 CD GLN A 40 10.816 -10.199 -7.243 1.00 0.00 C ATOM 637 OE1 GLN A 40 11.231 -10.419 -8.377 1.00 0.00 O ATOM 638 NE2 GLN A 40 10.743 -8.967 -6.773 1.00 0.00 N ATOM 0 H GLN A 40 6.994 -13.230 -6.739 1.00 0.00 H new ATOM 0 HA GLN A 40 7.968 -10.700 -5.801 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.070 -13.048 -6.336 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.291 -12.324 -7.917 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.181 -10.963 -5.347 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.215 -12.053 -6.249 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.396 -8.801 -5.828 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.034 -8.181 -7.355 1.00 0.00 H new ATOM 647 N GLY A 41 7.808 -9.124 -7.740 1.00 0.00 N ATOM 648 CA GLY A 41 7.466 -8.123 -8.731 1.00 0.00 C ATOM 649 C GLY A 41 6.081 -7.526 -8.501 1.00 0.00 C ATOM 650 O GLY A 41 5.701 -6.632 -9.259 1.00 0.00 O ATOM 0 H GLY A 41 8.307 -8.747 -6.934 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.210 -7.327 -8.711 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.505 -8.571 -9.724 1.00 0.00 H new ATOM 654 N LEU A 42 5.300 -7.991 -7.510 1.00 0.00 N ATOM 655 CA LEU A 42 4.049 -7.349 -7.171 1.00 0.00 C ATOM 656 C LEU A 42 4.205 -6.298 -6.075 1.00 0.00 C ATOM 657 O LEU A 42 3.352 -5.423 -6.039 1.00 0.00 O ATOM 658 CB LEU A 42 3.004 -8.348 -6.689 1.00 0.00 C ATOM 659 CG LEU A 42 2.610 -9.504 -7.616 1.00 0.00 C ATOM 660 CD1 LEU A 42 1.295 -10.062 -7.088 1.00 0.00 C ATOM 661 CD2 LEU A 42 2.416 -9.148 -9.084 1.00 0.00 C ATOM 0 H LEU A 42 5.525 -8.807 -6.940 1.00 0.00 H new ATOM 0 HA LEU A 42 3.724 -6.874 -8.096 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.365 -8.781 -5.756 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.098 -7.790 -6.452 1.00 0.00 H new ATOM 0 HG LEU A 42 3.442 -10.208 -7.602 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.972 -10.891 -7.718 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.434 -10.415 -6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.536 -9.280 -7.101 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.140 -10.043 -9.642 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.625 -8.404 -9.176 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.344 -8.742 -9.486 1.00 0.00 H new ATOM 673 N LEU A 43 5.161 -6.388 -5.139 1.00 0.00 N ATOM 674 CA LEU A 43 5.177 -5.471 -3.991 1.00 0.00 C ATOM 675 C LEU A 43 5.893 -4.185 -4.416 1.00 0.00 C ATOM 676 O LEU A 43 7.105 -4.227 -4.629 1.00 0.00 O ATOM 677 CB LEU A 43 5.802 -6.102 -2.721 1.00 0.00 C ATOM 678 CG LEU A 43 5.011 -5.903 -1.398 1.00 0.00 C ATOM 679 CD1 LEU A 43 4.334 -4.531 -1.229 1.00 0.00 C ATOM 680 CD2 LEU A 43 3.945 -6.987 -1.214 1.00 0.00 C ATOM 0 H LEU A 43 5.918 -7.071 -5.152 1.00 0.00 H new ATOM 0 HA LEU A 43 4.150 -5.242 -3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.920 -7.172 -2.892 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.802 -5.688 -2.589 1.00 0.00 H new ATOM 0 HG LEU A 43 5.784 -5.971 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.810 -4.499 -0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.090 -3.746 -1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.621 -4.375 -2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.411 -6.817 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.241 -6.950 -2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.423 -7.966 -1.186 1.00 0.00 H new ATOM 692 N GLU A 44 5.188 -3.059 -4.567 1.00 0.00 N ATOM 693 CA GLU A 44 5.759 -1.804 -5.054 1.00 0.00 C ATOM 694 C GLU A 44 5.562 -0.701 -4.008 1.00 0.00 C ATOM 695 O GLU A 44 4.432 -0.301 -3.718 1.00 0.00 O ATOM 696 CB GLU A 44 5.182 -1.445 -6.434 1.00 0.00 C ATOM 697 CG GLU A 44 6.035 -0.347 -7.085 1.00 0.00 C ATOM 698 CD GLU A 44 5.494 0.105 -8.443 1.00 0.00 C ATOM 699 OE1 GLU A 44 5.693 -0.583 -9.472 1.00 0.00 O ATOM 700 OE2 GLU A 44 4.918 1.212 -8.534 1.00 0.00 O ATOM 0 H GLU A 44 4.193 -2.995 -4.351 1.00 0.00 H new ATOM 0 HA GLU A 44 6.834 -1.918 -5.196 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.163 -2.329 -7.071 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.152 -1.104 -6.330 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.084 0.512 -6.416 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.054 -0.713 -7.210 1.00 0.00 H new ATOM 707 N PHE A 45 6.660 -0.231 -3.415 1.00 0.00 N ATOM 708 CA PHE A 45 6.668 0.735 -2.319 1.00 0.00 C ATOM 709 C PHE A 45 6.875 2.140 -2.895 1.00 0.00 C ATOM 710 O PHE A 45 8.012 2.557 -3.113 1.00 0.00 O ATOM 711 CB PHE A 45 7.753 0.317 -1.311 1.00 0.00 C ATOM 712 CG PHE A 45 7.501 -1.047 -0.688 1.00 0.00 C ATOM 713 CD1 PHE A 45 6.427 -1.216 0.207 1.00 0.00 C ATOM 714 CD2 PHE A 45 8.310 -2.152 -1.013 1.00 0.00 C ATOM 715 CE1 PHE A 45 6.155 -2.479 0.762 1.00 0.00 C ATOM 716 CE2 PHE A 45 8.057 -3.409 -0.436 1.00 0.00 C ATOM 717 CZ PHE A 45 6.983 -3.571 0.455 1.00 0.00 C ATOM 0 H PHE A 45 7.597 -0.522 -3.694 1.00 0.00 H new ATOM 0 HA PHE A 45 5.719 0.753 -1.783 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.721 0.307 -1.813 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.812 1.065 -0.520 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.808 -0.370 0.469 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.128 -2.034 -1.708 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.311 -2.609 1.423 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.689 -4.251 -0.678 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.794 -4.535 0.904 1.00 0.00 H new ATOM 727 N VAL A 46 5.787 2.852 -3.200 1.00 0.00 N ATOM 728 CA VAL A 46 5.755 4.096 -3.955 1.00 0.00 C ATOM 729 C VAL A 46 6.023 5.255 -3.000 1.00 0.00 C ATOM 730 O VAL A 46 5.164 5.635 -2.206 1.00 0.00 O ATOM 731 CB VAL A 46 4.392 4.239 -4.658 1.00 0.00 C ATOM 732 CG1 VAL A 46 4.291 5.566 -5.431 1.00 0.00 C ATOM 733 CG2 VAL A 46 4.142 3.074 -5.626 1.00 0.00 C ATOM 0 H VAL A 46 4.856 2.555 -2.908 1.00 0.00 H new ATOM 0 HA VAL A 46 6.525 4.098 -4.726 1.00 0.00 H new ATOM 0 HB VAL A 46 3.633 4.227 -3.876 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.316 5.632 -5.914 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.411 6.400 -4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.074 5.607 -6.188 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.172 3.202 -6.107 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.924 3.057 -6.385 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.151 2.134 -5.074 1.00 0.00 H new ATOM 743 N ASP A 47 7.228 5.799 -3.073 1.00 0.00 N ATOM 744 CA ASP A 47 7.694 6.932 -2.295 1.00 0.00 C ATOM 745 C ASP A 47 7.012 8.239 -2.709 1.00 0.00 C ATOM 746 O ASP A 47 7.324 8.807 -3.759 1.00 0.00 O ATOM 747 CB ASP A 47 9.211 7.016 -2.439 1.00 0.00 C ATOM 748 CG ASP A 47 9.839 7.958 -1.419 1.00 0.00 C ATOM 749 OD1 ASP A 47 9.154 8.890 -0.951 1.00 0.00 O ATOM 750 OD2 ASP A 47 11.033 7.733 -1.107 1.00 0.00 O ATOM 0 H ASP A 47 7.942 5.443 -3.709 1.00 0.00 H new ATOM 0 HA ASP A 47 7.430 6.783 -1.248 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.640 6.021 -2.323 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.460 7.355 -3.445 1.00 0.00 H new ATOM 755 N ILE A 48 6.073 8.720 -1.895 1.00 0.00 N ATOM 756 CA ILE A 48 5.341 9.963 -2.116 1.00 0.00 C ATOM 757 C ILE A 48 6.216 11.212 -1.959 1.00 0.00 C ATOM 758 O ILE A 48 5.742 12.307 -2.246 1.00 0.00 O ATOM 759 CB ILE A 48 4.089 10.052 -1.206 1.00 0.00 C ATOM 760 CG1 ILE A 48 4.375 10.281 0.299 1.00 0.00 C ATOM 761 CG2 ILE A 48 3.212 8.799 -1.401 1.00 0.00 C ATOM 762 CD1 ILE A 48 3.156 10.831 1.053 1.00 0.00 C ATOM 0 H ILE A 48 5.794 8.240 -1.039 1.00 0.00 H new ATOM 0 HA ILE A 48 5.014 9.938 -3.155 1.00 0.00 H new ATOM 0 HB ILE A 48 3.562 10.951 -1.527 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.685 9.340 0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.208 10.976 0.405 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.333 8.866 -0.759 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.897 8.734 -2.442 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.785 7.909 -1.139 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.411 10.973 2.103 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.860 11.786 0.619 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.330 10.125 0.973 1.00 0.00 H new ATOM 774 N THR A 49 7.452 11.089 -1.477 1.00 0.00 N ATOM 775 CA THR A 49 8.313 12.219 -1.171 1.00 0.00 C ATOM 776 C THR A 49 9.680 12.059 -1.844 1.00 0.00 C ATOM 777 O THR A 49 10.592 12.815 -1.517 1.00 0.00 O ATOM 778 CB THR A 49 8.323 12.450 0.356 1.00 0.00 C ATOM 779 OG1 THR A 49 8.903 13.691 0.693 1.00 0.00 O ATOM 780 CG2 THR A 49 9.020 11.365 1.172 1.00 0.00 C ATOM 0 H THR A 49 7.885 10.185 -1.287 1.00 0.00 H new ATOM 0 HA THR A 49 7.926 13.144 -1.599 1.00 0.00 H new ATOM 0 HB THR A 49 7.266 12.426 0.620 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.675 13.859 0.114 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.973 11.619 2.231 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.523 10.409 1.006 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.063 11.290 0.863 1.00 0.00 H new ATOM 788 N ALA A 50 9.830 11.159 -2.828 1.00 0.00 N ATOM 789 CA ALA A 50 11.074 10.989 -3.579 1.00 0.00 C ATOM 790 C ALA A 50 11.529 12.269 -4.292 1.00 0.00 C ATOM 791 O ALA A 50 12.698 12.372 -4.665 1.00 0.00 O ATOM 792 CB ALA A 50 10.930 9.848 -4.582 1.00 0.00 C ATOM 0 H ALA A 50 9.085 10.528 -3.123 1.00 0.00 H new ATOM 0 HA ALA A 50 11.849 10.747 -2.851 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.862 9.730 -5.135 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.704 8.923 -4.051 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.121 10.074 -5.277 1.00 0.00 H new ATOM 798 N THR A 51 10.642 13.248 -4.491 1.00 0.00 N ATOM 799 CA THR A 51 11.088 14.610 -4.720 1.00 0.00 C ATOM 800 C THR A 51 10.037 15.597 -4.218 1.00 0.00 C ATOM 801 O THR A 51 10.422 16.567 -3.571 1.00 0.00 O ATOM 802 CB THR A 51 11.606 14.806 -6.162 1.00 0.00 C ATOM 803 OG1 THR A 51 12.933 15.297 -6.133 1.00 0.00 O ATOM 804 CG2 THR A 51 10.829 15.838 -6.965 1.00 0.00 C ATOM 0 H THR A 51 9.630 13.119 -4.497 1.00 0.00 H new ATOM 0 HA THR A 51 11.972 14.831 -4.122 1.00 0.00 H new ATOM 0 HB THR A 51 11.506 13.825 -6.627 1.00 0.00 H new ATOM 0 HG1 THR A 51 13.257 15.418 -7.050 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.255 15.916 -7.965 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.785 15.532 -7.038 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.889 16.806 -6.468 1.00 0.00 H new ATOM 812 N ASN A 52 8.737 15.383 -4.477 1.00 0.00 N ATOM 813 CA ASN A 52 7.642 16.265 -4.052 1.00 0.00 C ATOM 814 C ASN A 52 6.299 15.573 -4.325 1.00 0.00 C ATOM 815 O ASN A 52 6.282 14.350 -4.450 1.00 0.00 O ATOM 816 CB ASN A 52 7.758 17.661 -4.710 1.00 0.00 C ATOM 817 CG ASN A 52 7.841 18.720 -3.619 1.00 0.00 C ATOM 818 OD1 ASN A 52 6.869 19.409 -3.327 1.00 0.00 O ATOM 819 ND2 ASN A 52 8.981 18.831 -2.970 1.00 0.00 N ATOM 0 H ASN A 52 8.412 14.571 -5.001 1.00 0.00 H new ATOM 0 HA ASN A 52 7.707 16.444 -2.979 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.643 17.705 -5.345 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.896 17.848 -5.351 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.070 19.501 -2.206 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.775 18.247 -3.231 1.00 0.00 H new ATOM 826 N HIS A 53 5.186 16.312 -4.395 1.00 0.00 N ATOM 827 CA HIS A 53 3.812 15.837 -4.601 1.00 0.00 C ATOM 828 C HIS A 53 3.240 14.994 -3.459 1.00 0.00 C ATOM 829 O HIS A 53 2.086 14.597 -3.565 1.00 0.00 O ATOM 830 CB HIS A 53 3.601 15.172 -5.983 1.00 0.00 C ATOM 831 CG HIS A 53 3.485 16.119 -7.152 1.00 0.00 C ATOM 832 ND1 HIS A 53 3.819 15.814 -8.451 1.00 0.00 N ATOM 833 CD2 HIS A 53 2.907 17.360 -7.158 1.00 0.00 C ATOM 834 CE1 HIS A 53 3.496 16.860 -9.223 1.00 0.00 C ATOM 835 NE2 HIS A 53 2.959 17.838 -8.472 1.00 0.00 N ATOM 0 H HIS A 53 5.223 17.327 -4.303 1.00 0.00 H new ATOM 0 HA HIS A 53 3.219 16.752 -4.592 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.433 14.493 -6.170 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.697 14.565 -5.940 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.488 17.875 -6.306 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.645 16.911 -10.291 1.00 0.00 H new ATOM 0 HE2 HIS A 53 2.649 18.753 -8.798 1.00 0.00 H new ATOM 843 N THR A 54 3.958 14.777 -2.354 1.00 0.00 N ATOM 844 CA THR A 54 3.426 14.155 -1.140 1.00 0.00 C ATOM 845 C THR A 54 2.083 14.768 -0.793 1.00 0.00 C ATOM 846 O THR A 54 1.082 14.066 -0.799 1.00 0.00 O ATOM 847 CB THR A 54 4.429 14.128 0.029 1.00 0.00 C ATOM 848 OG1 THR A 54 3.862 14.271 1.312 1.00 0.00 O ATOM 849 CG2 THR A 54 5.581 15.106 -0.079 1.00 0.00 C ATOM 0 H THR A 54 4.942 15.033 -2.277 1.00 0.00 H new ATOM 0 HA THR A 54 3.258 13.098 -1.346 1.00 0.00 H new ATOM 0 HB THR A 54 4.817 13.115 -0.077 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.571 14.240 1.988 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.227 15.005 0.793 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.155 14.894 -0.981 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.192 16.123 -0.127 1.00 0.00 H new ATOM 857 N ASN A 55 2.068 16.063 -0.489 1.00 0.00 N ATOM 858 CA ASN A 55 0.839 16.802 -0.167 1.00 0.00 C ATOM 859 C ASN A 55 -0.297 16.534 -1.157 1.00 0.00 C ATOM 860 O ASN A 55 -1.403 16.230 -0.710 1.00 0.00 O ATOM 861 CB ASN A 55 1.065 18.314 -0.056 1.00 0.00 C ATOM 862 CG ASN A 55 1.589 18.722 1.304 1.00 0.00 C ATOM 863 OD1 ASN A 55 1.059 18.325 2.339 1.00 0.00 O ATOM 864 ND2 ASN A 55 2.699 19.431 1.359 1.00 0.00 N ATOM 0 H ASN A 55 2.910 16.637 -0.457 1.00 0.00 H new ATOM 0 HA ASN A 55 0.542 16.422 0.810 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.771 18.630 -0.824 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.127 18.834 -0.252 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.119 19.651 2.262 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.137 19.760 0.499 1.00 0.00 H new ATOM 871 N GLU A 56 -0.050 16.633 -2.465 1.00 0.00 N ATOM 872 CA GLU A 56 -1.039 16.410 -3.518 1.00 0.00 C ATOM 873 C GLU A 56 -1.570 14.974 -3.445 1.00 0.00 C ATOM 874 O GLU A 56 -2.771 14.729 -3.588 1.00 0.00 O ATOM 875 CB GLU A 56 -0.365 16.622 -4.889 1.00 0.00 C ATOM 876 CG GLU A 56 -0.506 18.044 -5.442 1.00 0.00 C ATOM 877 CD GLU A 56 0.358 19.097 -4.740 1.00 0.00 C ATOM 878 OE1 GLU A 56 1.212 18.764 -3.881 1.00 0.00 O ATOM 879 OE2 GLU A 56 0.203 20.292 -5.076 1.00 0.00 O ATOM 0 H GLU A 56 0.871 16.878 -2.830 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.866 17.108 -3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.694 16.381 -4.802 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.794 15.921 -5.605 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.251 18.033 -6.502 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.551 18.345 -5.369 1.00 0.00 H new ATOM 886 N ILE A 57 -0.665 14.013 -3.269 1.00 0.00 N ATOM 887 CA ILE A 57 -0.933 12.584 -3.258 1.00 0.00 C ATOM 888 C ILE A 57 -1.750 12.283 -1.998 1.00 0.00 C ATOM 889 O ILE A 57 -2.701 11.512 -2.054 1.00 0.00 O ATOM 890 CB ILE A 57 0.433 11.848 -3.281 1.00 0.00 C ATOM 891 CG1 ILE A 57 0.936 11.754 -4.739 1.00 0.00 C ATOM 892 CG2 ILE A 57 0.329 10.428 -2.695 1.00 0.00 C ATOM 893 CD1 ILE A 57 2.438 11.448 -4.834 1.00 0.00 C ATOM 0 H ILE A 57 0.322 14.225 -3.123 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.506 12.247 -4.122 1.00 0.00 H new ATOM 0 HB ILE A 57 1.130 12.418 -2.667 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.378 10.977 -5.261 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.729 12.694 -5.251 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.307 9.948 -2.730 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.011 10.485 -1.661 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.383 9.845 -3.279 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.733 11.394 -5.882 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.002 12.238 -4.339 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.646 10.494 -4.349 1.00 0.00 H new ATOM 905 N GLN A 58 -1.372 12.888 -0.876 1.00 0.00 N ATOM 906 CA GLN A 58 -1.878 12.663 0.462 1.00 0.00 C ATOM 907 C GLN A 58 -3.339 13.124 0.428 1.00 0.00 C ATOM 908 O GLN A 58 -4.234 12.386 0.831 1.00 0.00 O ATOM 909 CB GLN A 58 -1.044 13.538 1.424 1.00 0.00 C ATOM 910 CG GLN A 58 0.180 12.824 2.030 1.00 0.00 C ATOM 911 CD GLN A 58 0.112 12.699 3.546 1.00 0.00 C ATOM 912 OE1 GLN A 58 0.452 13.639 4.257 1.00 0.00 O ATOM 913 NE2 GLN A 58 -0.339 11.587 4.090 1.00 0.00 N ATOM 0 H GLN A 58 -0.646 13.604 -0.887 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.813 11.626 0.790 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.705 14.424 0.888 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.687 13.882 2.234 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.265 11.829 1.593 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.083 13.370 1.757 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.621 10.807 3.497 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.406 11.506 5.105 1.00 0.00 H new ATOM 922 N ASP A 59 -3.574 14.328 -0.107 1.00 0.00 N ATOM 923 CA ASP A 59 -4.888 14.935 -0.315 1.00 0.00 C ATOM 924 C ASP A 59 -5.784 13.980 -1.089 1.00 0.00 C ATOM 925 O ASP A 59 -6.829 13.539 -0.611 1.00 0.00 O ATOM 926 CB ASP A 59 -4.730 16.244 -1.105 1.00 0.00 C ATOM 927 CG ASP A 59 -5.934 17.169 -0.967 1.00 0.00 C ATOM 928 OD1 ASP A 59 -7.080 16.684 -0.885 1.00 0.00 O ATOM 929 OD2 ASP A 59 -5.743 18.408 -0.924 1.00 0.00 O ATOM 0 H ASP A 59 -2.814 14.932 -0.421 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.342 15.145 0.654 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.837 16.765 -0.760 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.576 16.010 -2.159 1.00 0.00 H new ATOM 934 N TYR A 60 -5.323 13.622 -2.286 1.00 0.00 N ATOM 935 CA TYR A 60 -6.061 12.742 -3.177 1.00 0.00 C ATOM 936 C TYR A 60 -6.338 11.383 -2.527 1.00 0.00 C ATOM 937 O TYR A 60 -7.437 10.860 -2.688 1.00 0.00 O ATOM 938 CB TYR A 60 -5.326 12.598 -4.511 1.00 0.00 C ATOM 939 CG TYR A 60 -5.956 11.594 -5.459 1.00 0.00 C ATOM 940 CD1 TYR A 60 -7.325 11.684 -5.787 1.00 0.00 C ATOM 941 CD2 TYR A 60 -5.188 10.522 -5.952 1.00 0.00 C ATOM 942 CE1 TYR A 60 -7.934 10.688 -6.569 1.00 0.00 C ATOM 943 CE2 TYR A 60 -5.785 9.539 -6.755 1.00 0.00 C ATOM 944 CZ TYR A 60 -7.164 9.609 -7.051 1.00 0.00 C ATOM 945 OH TYR A 60 -7.753 8.637 -7.796 1.00 0.00 O ATOM 0 H TYR A 60 -4.428 13.936 -2.661 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.032 13.194 -3.376 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.290 13.571 -5.001 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.296 12.301 -4.316 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.908 12.522 -5.435 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.137 10.456 -5.711 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.987 10.748 -6.800 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.189 8.728 -7.147 1.00 0.00 H new ATOM 0 HH TYR A 60 -7.129 7.890 -7.912 1.00 0.00 H new ATOM 955 N LEU A 61 -5.399 10.816 -1.763 1.00 0.00 N ATOM 956 CA LEU A 61 -5.603 9.568 -1.032 1.00 0.00 C ATOM 957 C LEU A 61 -6.713 9.711 0.006 1.00 0.00 C ATOM 958 O LEU A 61 -7.433 8.736 0.235 1.00 0.00 O ATOM 959 CB LEU A 61 -4.301 9.098 -0.354 1.00 0.00 C ATOM 960 CG LEU A 61 -3.317 8.415 -1.319 1.00 0.00 C ATOM 961 CD1 LEU A 61 -1.913 8.363 -0.704 1.00 0.00 C ATOM 962 CD2 LEU A 61 -3.782 6.992 -1.642 1.00 0.00 C ATOM 0 H LEU A 61 -4.469 11.216 -1.636 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.905 8.814 -1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.810 9.956 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.549 8.405 0.450 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.286 8.999 -2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.229 7.877 -1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.566 9.377 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.945 7.799 0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.074 6.524 -2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.837 6.410 -0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.767 7.028 -2.108 1.00 0.00 H new ATOM 974 N GLN A 62 -6.902 10.893 0.603 1.00 0.00 N ATOM 975 CA GLN A 62 -8.028 11.132 1.494 1.00 0.00 C ATOM 976 C GLN A 62 -9.346 10.967 0.741 1.00 0.00 C ATOM 977 O GLN A 62 -10.299 10.437 1.304 1.00 0.00 O ATOM 978 CB GLN A 62 -7.951 12.522 2.146 1.00 0.00 C ATOM 979 CG GLN A 62 -8.719 12.519 3.475 1.00 0.00 C ATOM 980 CD GLN A 62 -8.828 13.881 4.155 1.00 0.00 C ATOM 981 OE1 GLN A 62 -7.861 14.629 4.276 1.00 0.00 O ATOM 982 NE2 GLN A 62 -9.992 14.181 4.702 1.00 0.00 N ATOM 0 H GLN A 62 -6.285 11.696 0.481 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.982 10.391 2.292 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.910 12.795 2.318 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.371 13.272 1.475 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.724 12.136 3.297 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.230 11.825 4.159 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.785 13.549 4.592 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.098 15.045 5.234 1.00 0.00 H new ATOM 991 N GLN A 63 -9.427 11.410 -0.512 1.00 0.00 N ATOM 992 CA GLN A 63 -10.626 11.230 -1.322 1.00 0.00 C ATOM 993 C GLN A 63 -10.750 9.788 -1.824 1.00 0.00 C ATOM 994 O GLN A 63 -11.795 9.163 -1.644 1.00 0.00 O ATOM 995 CB GLN A 63 -10.670 12.278 -2.450 1.00 0.00 C ATOM 996 CG GLN A 63 -12.070 12.904 -2.595 1.00 0.00 C ATOM 997 CD GLN A 63 -12.420 13.888 -1.470 1.00 0.00 C ATOM 998 OE1 GLN A 63 -12.041 13.715 -0.315 1.00 0.00 O ATOM 999 NE2 GLN A 63 -13.145 14.953 -1.766 1.00 0.00 N ATOM 0 H GLN A 63 -8.670 11.899 -0.989 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.505 11.400 -0.700 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.941 13.062 -2.246 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.381 11.811 -3.392 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -12.130 13.422 -3.552 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -12.815 12.108 -2.616 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -13.463 15.103 -2.723 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -13.386 15.625 -1.037 1.00 0.00 H new ATOM 1008 N LEU A 64 -9.697 9.250 -2.443 1.00 0.00 N ATOM 1009 CA LEU A 64 -9.711 7.965 -3.141 1.00 0.00 C ATOM 1010 C LEU A 64 -9.848 6.808 -2.138 1.00 0.00 C ATOM 1011 O LEU A 64 -10.304 5.738 -2.530 1.00 0.00 O ATOM 1012 CB LEU A 64 -8.435 7.850 -4.007 1.00 0.00 C ATOM 1013 CG LEU A 64 -7.961 6.428 -4.384 1.00 0.00 C ATOM 1014 CD1 LEU A 64 -8.889 5.793 -5.427 1.00 0.00 C ATOM 1015 CD2 LEU A 64 -6.547 6.478 -4.974 1.00 0.00 C ATOM 0 H LEU A 64 -8.787 9.710 -2.473 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.576 7.905 -3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.602 8.406 -4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.622 8.348 -3.478 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.973 5.830 -3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.530 4.793 -5.673 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.899 5.727 -5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.898 6.407 -6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.226 5.470 -5.235 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.548 7.101 -5.868 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.861 6.899 -4.239 1.00 0.00 H new ATOM 1027 N THR A 65 -9.484 6.991 -0.865 1.00 0.00 N ATOM 1028 CA THR A 65 -9.632 5.968 0.167 1.00 0.00 C ATOM 1029 C THR A 65 -10.624 6.487 1.212 1.00 0.00 C ATOM 1030 O THR A 65 -11.789 6.078 1.238 1.00 0.00 O ATOM 1031 CB THR A 65 -8.252 5.493 0.692 1.00 0.00 C ATOM 1032 OG1 THR A 65 -7.569 6.408 1.529 1.00 0.00 O ATOM 1033 CG2 THR A 65 -7.292 5.156 -0.450 1.00 0.00 C ATOM 0 H THR A 65 -9.076 7.861 -0.522 1.00 0.00 H new ATOM 0 HA THR A 65 -10.063 5.048 -0.228 1.00 0.00 H new ATOM 0 HB THR A 65 -8.516 4.616 1.283 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.305 7.194 1.007 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.338 4.828 -0.038 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.717 4.359 -1.060 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.136 6.041 -1.067 1.00 0.00 H new ATOM 1041 N GLY A 66 -10.205 7.465 2.005 1.00 0.00 N ATOM 1042 CA GLY A 66 -10.994 8.085 3.055 1.00 0.00 C ATOM 1043 C GLY A 66 -10.099 8.820 4.041 1.00 0.00 C ATOM 1044 O GLY A 66 -10.549 9.769 4.683 1.00 0.00 O ATOM 0 H GLY A 66 -9.268 7.862 1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.708 8.782 2.616 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.572 7.324 3.579 1.00 0.00 H new ATOM 1048 N ALA A 67 -8.824 8.434 4.138 1.00 0.00 N ATOM 1049 CA ALA A 67 -7.843 9.078 4.987 1.00 0.00 C ATOM 1050 C ALA A 67 -6.555 9.265 4.197 1.00 0.00 C ATOM 1051 O ALA A 67 -6.201 8.432 3.364 1.00 0.00 O ATOM 1052 CB ALA A 67 -7.624 8.235 6.237 1.00 0.00 C ATOM 0 H ALA A 67 -8.446 7.646 3.612 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.193 10.060 5.306 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.886 8.718 6.877 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.565 8.136 6.779 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.264 7.247 5.951 1.00 0.00 H new ATOM 1058 N ARG A 68 -5.855 10.368 4.454 1.00 0.00 N ATOM 1059 CA ARG A 68 -4.609 10.671 3.746 1.00 0.00 C ATOM 1060 C ARG A 68 -3.439 9.863 4.277 1.00 0.00 C ATOM 1061 O ARG A 68 -2.413 9.779 3.598 1.00 0.00 O ATOM 1062 CB ARG A 68 -4.246 12.163 3.842 1.00 0.00 C ATOM 1063 CG ARG A 68 -4.088 12.738 5.259 1.00 0.00 C ATOM 1064 CD ARG A 68 -5.236 13.703 5.556 1.00 0.00 C ATOM 1065 NE ARG A 68 -5.061 14.376 6.846 1.00 0.00 N ATOM 1066 CZ ARG A 68 -5.828 15.372 7.300 1.00 0.00 C ATOM 1067 NH1 ARG A 68 -6.858 15.834 6.598 1.00 0.00 N ATOM 1068 NH2 ARG A 68 -5.552 15.923 8.473 1.00 0.00 N ATOM 0 H ARG A 68 -6.127 11.067 5.146 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.790 10.403 2.705 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.313 12.323 3.302 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.016 12.736 3.325 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.081 11.930 5.991 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.133 13.256 5.347 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.299 14.448 4.763 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.179 13.157 5.556 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.296 14.060 7.442 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.079 15.427 5.689 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.427 16.595 6.968 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.760 15.587 9.021 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.131 16.684 8.828 1.00 0.00 H new ATOM 1082 N THR A 69 -3.547 9.370 5.511 1.00 0.00 N ATOM 1083 CA THR A 69 -2.380 8.998 6.279 1.00 0.00 C ATOM 1084 C THR A 69 -1.643 7.866 5.588 1.00 0.00 C ATOM 1085 O THR A 69 -2.258 6.888 5.171 1.00 0.00 O ATOM 1086 CB THR A 69 -2.787 8.662 7.720 1.00 0.00 C ATOM 1087 OG1 THR A 69 -3.810 7.681 7.759 1.00 0.00 O ATOM 1088 CG2 THR A 69 -3.305 9.921 8.428 1.00 0.00 C ATOM 0 H THR A 69 -4.435 9.223 5.992 1.00 0.00 H new ATOM 0 HA THR A 69 -1.685 9.836 6.335 1.00 0.00 H new ATOM 0 HB THR A 69 -1.901 8.274 8.222 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.044 7.489 8.691 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.591 9.672 9.450 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.521 10.678 8.445 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.172 10.309 7.893 1.00 0.00 H new ATOM 1096 N VAL A 70 -0.328 7.997 5.476 1.00 0.00 N ATOM 1097 CA VAL A 70 0.524 6.950 4.938 1.00 0.00 C ATOM 1098 C VAL A 70 0.869 5.975 6.076 1.00 0.00 C ATOM 1099 O VAL A 70 0.867 6.391 7.240 1.00 0.00 O ATOM 1100 CB VAL A 70 1.769 7.568 4.267 1.00 0.00 C ATOM 1101 CG1 VAL A 70 1.461 7.897 2.799 1.00 0.00 C ATOM 1102 CG2 VAL A 70 2.278 8.846 4.959 1.00 0.00 C ATOM 0 H VAL A 70 0.178 8.837 5.757 1.00 0.00 H new ATOM 0 HA VAL A 70 0.011 6.388 4.158 1.00 0.00 H new ATOM 0 HB VAL A 70 2.556 6.819 4.351 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.344 8.333 2.331 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.184 6.984 2.272 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.636 8.608 2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.154 9.221 4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.494 9.603 4.946 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.546 8.619 5.991 1.00 0.00 H new ATOM 1112 N PRO A 71 1.206 4.705 5.792 1.00 0.00 N ATOM 1113 CA PRO A 71 1.191 4.061 4.481 1.00 0.00 C ATOM 1114 C PRO A 71 -0.238 3.906 3.950 1.00 0.00 C ATOM 1115 O PRO A 71 -1.196 4.028 4.707 1.00 0.00 O ATOM 1116 CB PRO A 71 1.830 2.687 4.713 1.00 0.00 C ATOM 1117 CG PRO A 71 1.496 2.377 6.168 1.00 0.00 C ATOM 1118 CD PRO A 71 1.543 3.747 6.827 1.00 0.00 C ATOM 0 HA PRO A 71 1.727 4.651 3.737 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.420 1.935 4.039 1.00 0.00 H new ATOM 0 HB3 PRO A 71 2.907 2.712 4.545 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.514 1.914 6.267 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.218 1.691 6.611 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.837 3.805 7.656 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.533 3.948 7.237 1.00 0.00 H new ATOM 1126 N ARG A 72 -0.393 3.596 2.661 1.00 0.00 N ATOM 1127 CA ARG A 72 -1.672 3.196 2.071 1.00 0.00 C ATOM 1128 C ARG A 72 -1.415 1.978 1.210 1.00 0.00 C ATOM 1129 O ARG A 72 -0.964 2.135 0.071 1.00 0.00 O ATOM 1130 CB ARG A 72 -2.295 4.342 1.244 1.00 0.00 C ATOM 1131 CG ARG A 72 -2.904 5.463 2.091 1.00 0.00 C ATOM 1132 CD ARG A 72 -4.268 5.072 2.671 1.00 0.00 C ATOM 1133 NE ARG A 72 -4.430 5.645 4.002 1.00 0.00 N ATOM 1134 CZ ARG A 72 -5.464 5.491 4.825 1.00 0.00 C ATOM 1135 NH1 ARG A 72 -6.628 5.016 4.382 1.00 0.00 N ATOM 1136 NH2 ARG A 72 -5.292 5.812 6.101 1.00 0.00 N ATOM 0 H ARG A 72 0.375 3.616 1.990 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.389 2.960 2.857 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.528 4.766 0.596 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.068 3.930 0.596 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.223 5.713 2.904 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.014 6.359 1.480 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.065 5.424 2.016 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.353 3.986 2.721 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.665 6.229 4.340 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.735 4.765 3.399 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.411 4.904 5.026 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.390 6.164 6.421 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.062 5.707 6.762 1.00 0.00 H new ATOM 1150 N VAL A 73 -1.640 0.783 1.751 1.00 0.00 N ATOM 1151 CA VAL A 73 -1.527 -0.452 0.988 1.00 0.00 C ATOM 1152 C VAL A 73 -2.739 -0.547 0.077 1.00 0.00 C ATOM 1153 O VAL A 73 -3.862 -0.503 0.578 1.00 0.00 O ATOM 1154 CB VAL A 73 -1.449 -1.663 1.935 1.00 0.00 C ATOM 1155 CG1 VAL A 73 -1.597 -2.986 1.170 1.00 0.00 C ATOM 1156 CG2 VAL A 73 -0.101 -1.665 2.661 1.00 0.00 C ATOM 0 H VAL A 73 -1.905 0.646 2.727 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.615 -0.451 0.391 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.268 -1.578 2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.537 -3.820 1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.561 -3.007 0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.798 -3.072 0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.050 -2.524 3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.706 -1.726 1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.002 -0.747 3.240 1.00 0.00 H new ATOM 1166 N PHE A 74 -2.520 -0.730 -1.223 1.00 0.00 N ATOM 1167 CA PHE A 74 -3.517 -1.100 -2.209 1.00 0.00 C ATOM 1168 C PHE A 74 -3.162 -2.494 -2.719 1.00 0.00 C ATOM 1169 O PHE A 74 -2.263 -2.649 -3.548 1.00 0.00 O ATOM 1170 CB PHE A 74 -3.583 -0.104 -3.373 1.00 0.00 C ATOM 1171 CG PHE A 74 -4.310 1.209 -3.139 1.00 0.00 C ATOM 1172 CD1 PHE A 74 -3.874 2.114 -2.152 1.00 0.00 C ATOM 1173 CD2 PHE A 74 -5.381 1.572 -3.980 1.00 0.00 C ATOM 1174 CE1 PHE A 74 -4.469 3.380 -2.039 1.00 0.00 C ATOM 1175 CE2 PHE A 74 -5.981 2.836 -3.860 1.00 0.00 C ATOM 1176 CZ PHE A 74 -5.510 3.747 -2.903 1.00 0.00 C ATOM 0 H PHE A 74 -1.593 -0.617 -1.632 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.503 -1.090 -1.744 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.561 0.128 -3.674 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.058 -0.605 -4.216 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.078 1.832 -1.479 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.742 0.874 -4.721 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.124 4.072 -1.285 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.805 3.107 -4.504 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.949 4.731 -2.832 1.00 0.00 H new ATOM 1186 N ILE A 75 -3.860 -3.519 -2.239 1.00 0.00 N ATOM 1187 CA ILE A 75 -3.775 -4.852 -2.818 1.00 0.00 C ATOM 1188 C ILE A 75 -4.763 -4.826 -3.993 1.00 0.00 C ATOM 1189 O ILE A 75 -5.964 -4.646 -3.794 1.00 0.00 O ATOM 1190 CB ILE A 75 -4.044 -5.931 -1.732 1.00 0.00 C ATOM 1191 CG1 ILE A 75 -2.763 -6.575 -1.174 1.00 0.00 C ATOM 1192 CG2 ILE A 75 -4.837 -7.141 -2.243 1.00 0.00 C ATOM 1193 CD1 ILE A 75 -1.985 -5.733 -0.192 1.00 0.00 C ATOM 0 H ILE A 75 -4.495 -3.448 -1.444 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.787 -5.121 -3.192 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.591 -5.357 -0.984 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.031 -7.513 -0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.109 -6.824 -2.010 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.985 -7.850 -1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.806 -6.810 -2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.284 -7.624 -3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.102 -6.281 0.138 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.677 -4.805 -0.673 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.613 -5.504 0.669 1.00 0.00 H new ATOM 1205 N GLY A 76 -4.255 -4.964 -5.222 1.00 0.00 N ATOM 1206 CA GLY A 76 -5.050 -5.064 -6.441 1.00 0.00 C ATOM 1207 C GLY A 76 -6.099 -3.966 -6.525 1.00 0.00 C ATOM 1208 O GLY A 76 -7.292 -4.231 -6.416 1.00 0.00 O ATOM 0 H GLY A 76 -3.251 -5.010 -5.396 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.393 -5.006 -7.309 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.539 -6.037 -6.477 1.00 0.00 H new ATOM 1212 N LYS A 77 -5.652 -2.741 -6.780 1.00 0.00 N ATOM 1213 CA LYS A 77 -6.442 -1.532 -6.889 1.00 0.00 C ATOM 1214 C LYS A 77 -7.490 -1.275 -5.799 1.00 0.00 C ATOM 1215 O LYS A 77 -8.351 -0.428 -6.022 1.00 0.00 O ATOM 1216 CB LYS A 77 -7.061 -1.503 -8.296 1.00 0.00 C ATOM 1217 CG LYS A 77 -6.952 -0.083 -8.853 1.00 0.00 C ATOM 1218 CD LYS A 77 -8.063 0.177 -9.868 1.00 0.00 C ATOM 1219 CE LYS A 77 -8.172 1.669 -10.178 1.00 0.00 C ATOM 1220 NZ LYS A 77 -9.343 1.945 -11.029 1.00 0.00 N ATOM 0 H LYS A 77 -4.659 -2.560 -6.925 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.752 -0.704 -6.724 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.545 -2.206 -8.950 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.105 -1.813 -8.256 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.017 0.640 -8.040 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -5.979 0.056 -9.325 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.861 -0.376 -10.785 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.013 -0.189 -9.477 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.252 2.233 -9.249 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.265 2.008 -10.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.396 2.965 -11.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.252 1.424 -11.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.208 1.642 -10.538 1.00 0.00 H new ATOM 1234 N ASP A 78 -7.378 -1.857 -4.605 1.00 0.00 N ATOM 1235 CA ASP A 78 -8.201 -1.430 -3.463 1.00 0.00 C ATOM 1236 C ASP A 78 -7.351 -1.265 -2.216 1.00 0.00 C ATOM 1237 O ASP A 78 -6.546 -2.141 -1.888 1.00 0.00 O ATOM 1238 CB ASP A 78 -9.346 -2.402 -3.188 1.00 0.00 C ATOM 1239 CG ASP A 78 -10.263 -1.921 -2.053 1.00 0.00 C ATOM 1240 OD1 ASP A 78 -10.436 -0.694 -1.868 1.00 0.00 O ATOM 1241 OD2 ASP A 78 -10.865 -2.783 -1.372 1.00 0.00 O ATOM 0 H ASP A 78 -6.732 -2.620 -4.400 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.636 -0.466 -3.728 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.934 -2.532 -4.096 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.936 -3.379 -2.931 1.00 0.00 H new ATOM 1246 N CYS A 79 -7.500 -0.123 -1.545 1.00 0.00 N ATOM 1247 CA CYS A 79 -6.794 0.189 -0.324 1.00 0.00 C ATOM 1248 C CYS A 79 -7.337 -0.658 0.827 1.00 0.00 C ATOM 1249 O CYS A 79 -8.495 -0.481 1.219 1.00 0.00 O ATOM 1250 CB CYS A 79 -6.889 1.686 -0.020 1.00 0.00 C ATOM 1251 SG CYS A 79 -5.660 2.101 1.252 1.00 0.00 S ATOM 0 H CYS A 79 -8.130 0.619 -1.849 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.739 -0.053 -0.448 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.708 2.267 -0.924 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -7.891 1.938 0.326 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.724 1.199 1.262 1.00 0.00 H new ATOM 1257 N ILE A 80 -6.518 -1.541 1.410 1.00 0.00 N ATOM 1258 CA ILE A 80 -6.950 -2.414 2.490 1.00 0.00 C ATOM 1259 C ILE A 80 -6.862 -1.705 3.847 1.00 0.00 C ATOM 1260 O ILE A 80 -7.312 -2.245 4.855 1.00 0.00 O ATOM 1261 CB ILE A 80 -6.191 -3.756 2.410 1.00 0.00 C ATOM 1262 CG1 ILE A 80 -4.729 -3.764 2.899 1.00 0.00 C ATOM 1263 CG2 ILE A 80 -6.227 -4.320 0.977 1.00 0.00 C ATOM 1264 CD1 ILE A 80 -4.604 -3.787 4.425 1.00 0.00 C ATOM 0 H ILE A 80 -5.542 -1.665 1.142 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.007 -2.655 2.377 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.736 -4.382 3.116 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.219 -4.634 2.486 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.218 -2.882 2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.686 -5.266 0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.262 -4.483 0.676 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.759 -3.610 0.295 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.550 -3.792 4.704 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.086 -2.903 4.843 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.087 -4.683 4.816 1.00 0.00 H new ATOM 1276 N GLY A 81 -6.299 -0.496 3.887 1.00 0.00 N ATOM 1277 CA GLY A 81 -6.096 0.301 5.082 1.00 0.00 C ATOM 1278 C GLY A 81 -4.669 0.834 5.102 1.00 0.00 C ATOM 1279 O GLY A 81 -3.901 0.649 4.149 1.00 0.00 O ATOM 0 H GLY A 81 -5.959 -0.031 3.045 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.805 1.129 5.104 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.282 -0.303 5.970 1.00 0.00 H new ATOM 1283 N GLY A 82 -4.331 1.514 6.195 1.00 0.00 N ATOM 1284 CA GLY A 82 -3.022 2.098 6.400 1.00 0.00 C ATOM 1285 C GLY A 82 -2.101 1.101 7.081 1.00 0.00 C ATOM 1286 O GLY A 82 -1.456 0.302 6.403 1.00 0.00 O ATOM 0 H GLY A 82 -4.974 1.673 6.971 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.597 2.401 5.443 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.109 2.998 7.009 1.00 0.00 H new ATOM 1290 N CYS A 83 -2.043 1.123 8.418 1.00 0.00 N ATOM 1291 CA CYS A 83 -1.173 0.241 9.187 1.00 0.00 C ATOM 1292 C CYS A 83 -1.901 -0.430 10.344 1.00 0.00 C ATOM 1293 O CYS A 83 -1.883 -1.652 10.426 1.00 0.00 O ATOM 1294 CB CYS A 83 0.094 0.965 9.656 1.00 0.00 C ATOM 1295 SG CYS A 83 1.455 -0.236 9.665 1.00 0.00 S ATOM 0 H CYS A 83 -2.600 1.755 8.993 1.00 0.00 H new ATOM 0 HA CYS A 83 -0.862 -0.557 8.512 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.325 1.798 8.992 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -0.052 1.383 10.652 1.00 0.00 H new ATOM 0 HG CYS A 83 2.538 0.332 9.224 1.00 0.00 H new ATOM 1301 N SER A 84 -2.527 0.326 11.242 1.00 0.00 N ATOM 1302 CA SER A 84 -3.230 -0.234 12.395 1.00 0.00 C ATOM 1303 C SER A 84 -4.384 -1.157 11.948 1.00 0.00 C ATOM 1304 O SER A 84 -4.637 -2.192 12.572 1.00 0.00 O ATOM 1305 CB SER A 84 -3.701 0.934 13.273 1.00 0.00 C ATOM 1306 OG SER A 84 -2.601 1.772 13.613 1.00 0.00 O ATOM 0 H SER A 84 -2.562 1.344 11.192 1.00 0.00 H new ATOM 0 HA SER A 84 -2.565 -0.867 12.982 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.458 1.513 12.744 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.169 0.551 14.180 1.00 0.00 H new ATOM 0 HG SER A 84 -2.915 2.514 14.171 1.00 0.00 H new ATOM 1312 N ASP A 85 -5.022 -0.825 10.821 1.00 0.00 N ATOM 1313 CA ASP A 85 -6.007 -1.646 10.113 1.00 0.00 C ATOM 1314 C ASP A 85 -5.299 -2.903 9.624 1.00 0.00 C ATOM 1315 O ASP A 85 -5.585 -4.015 10.062 1.00 0.00 O ATOM 1316 CB ASP A 85 -6.586 -0.878 8.902 1.00 0.00 C ATOM 1317 CG ASP A 85 -7.658 0.154 9.249 1.00 0.00 C ATOM 1318 OD1 ASP A 85 -8.255 0.089 10.344 1.00 0.00 O ATOM 1319 OD2 ASP A 85 -7.829 1.128 8.482 1.00 0.00 O ATOM 0 H ASP A 85 -4.857 0.068 10.356 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.830 -1.896 10.783 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.769 -0.373 8.386 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.009 -1.598 8.202 1.00 0.00 H new ATOM 1324 N LEU A 86 -4.323 -2.696 8.740 1.00 0.00 N ATOM 1325 CA LEU A 86 -3.528 -3.695 8.043 1.00 0.00 C ATOM 1326 C LEU A 86 -2.947 -4.758 8.976 1.00 0.00 C ATOM 1327 O LEU A 86 -2.906 -5.925 8.592 1.00 0.00 O ATOM 1328 CB LEU A 86 -2.457 -2.931 7.250 1.00 0.00 C ATOM 1329 CG LEU A 86 -1.234 -3.749 6.795 1.00 0.00 C ATOM 1330 CD1 LEU A 86 -0.804 -3.307 5.405 1.00 0.00 C ATOM 1331 CD2 LEU A 86 -0.036 -3.520 7.721 1.00 0.00 C ATOM 0 H LEU A 86 -4.050 -1.750 8.475 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.156 -4.273 7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.928 -2.499 6.367 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.105 -2.101 7.862 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.527 -4.799 6.810 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.061 -3.890 5.089 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.623 -3.465 4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.542 -2.249 5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.811 -4.111 7.373 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.232 -2.463 7.715 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.297 -3.822 8.735 1.00 0.00 H new ATOM 1343 N VAL A 87 -2.523 -4.401 10.189 1.00 0.00 N ATOM 1344 CA VAL A 87 -1.995 -5.329 11.156 1.00 0.00 C ATOM 1345 C VAL A 87 -3.037 -6.400 11.490 1.00 0.00 C ATOM 1346 O VAL A 87 -2.635 -7.548 11.629 1.00 0.00 O ATOM 1347 CB VAL A 87 -1.513 -4.508 12.364 1.00 0.00 C ATOM 1348 CG1 VAL A 87 -1.278 -5.372 13.593 1.00 0.00 C ATOM 1349 CG2 VAL A 87 -0.182 -3.796 12.064 1.00 0.00 C ATOM 0 H VAL A 87 -2.543 -3.437 10.521 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.141 -5.886 10.769 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.308 -3.788 12.558 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.939 -4.746 14.418 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.208 -5.868 13.872 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.519 -6.122 13.371 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.130 -3.225 12.938 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.581 -4.537 11.823 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.313 -3.121 11.218 1.00 0.00 H new ATOM 1359 N SER A 88 -4.344 -6.105 11.553 1.00 0.00 N ATOM 1360 CA SER A 88 -5.338 -7.141 11.851 1.00 0.00 C ATOM 1361 C SER A 88 -5.343 -8.112 10.687 1.00 0.00 C ATOM 1362 O SER A 88 -5.324 -9.330 10.866 1.00 0.00 O ATOM 1363 CB SER A 88 -6.771 -6.601 11.866 1.00 0.00 C ATOM 1364 OG SER A 88 -7.288 -6.662 13.174 1.00 0.00 O ATOM 0 H SER A 88 -4.731 -5.173 11.404 1.00 0.00 H new ATOM 0 HA SER A 88 -5.075 -7.563 12.821 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.786 -5.572 11.507 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.397 -7.184 11.190 1.00 0.00 H new ATOM 0 HG SER A 88 -8.204 -6.314 13.180 1.00 0.00 H new ATOM 1370 N LEU A 89 -5.434 -7.543 9.481 1.00 0.00 N ATOM 1371 CA LEU A 89 -5.550 -8.322 8.278 1.00 0.00 C ATOM 1372 C LEU A 89 -4.328 -9.238 8.192 1.00 0.00 C ATOM 1373 O LEU A 89 -4.479 -10.384 7.782 1.00 0.00 O ATOM 1374 CB LEU A 89 -5.741 -7.406 7.053 1.00 0.00 C ATOM 1375 CG LEU A 89 -7.161 -6.814 6.911 1.00 0.00 C ATOM 1376 CD1 LEU A 89 -7.272 -5.416 7.527 1.00 0.00 C ATOM 1377 CD2 LEU A 89 -7.557 -6.764 5.430 1.00 0.00 C ATOM 0 H LEU A 89 -5.428 -6.535 9.328 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.438 -8.953 8.295 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.024 -6.587 7.112 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.505 -7.972 6.152 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.843 -7.465 7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.288 -5.043 7.402 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.032 -5.466 8.589 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.574 -4.743 7.029 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.559 -6.346 5.335 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.850 -6.139 4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.544 -7.772 5.016 1.00 0.00 H new ATOM 1389 N GLN A 90 -3.137 -8.784 8.592 1.00 0.00 N ATOM 1390 CA GLN A 90 -1.972 -9.642 8.733 1.00 0.00 C ATOM 1391 C GLN A 90 -2.242 -10.710 9.805 1.00 0.00 C ATOM 1392 O GLN A 90 -2.226 -11.897 9.477 1.00 0.00 O ATOM 1393 CB GLN A 90 -0.731 -8.801 9.073 1.00 0.00 C ATOM 1394 CG GLN A 90 0.552 -9.656 9.152 1.00 0.00 C ATOM 1395 CD GLN A 90 1.624 -9.073 10.074 1.00 0.00 C ATOM 1396 OE1 GLN A 90 1.375 -8.205 10.904 1.00 0.00 O ATOM 1397 NE2 GLN A 90 2.841 -9.572 9.991 1.00 0.00 N ATOM 0 H GLN A 90 -2.960 -7.807 8.826 1.00 0.00 H new ATOM 0 HA GLN A 90 -1.777 -10.151 7.789 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.602 -8.025 8.318 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.887 -8.295 10.026 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.291 -10.656 9.500 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.967 -9.765 8.150 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.050 -10.294 9.301 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.574 -9.236 10.616 1.00 0.00 H new ATOM 1406 N GLN A 91 -2.446 -10.314 11.071 1.00 0.00 N ATOM 1407 CA GLN A 91 -2.513 -11.175 12.237 1.00 0.00 C ATOM 1408 C GLN A 91 -3.511 -12.309 12.059 1.00 0.00 C ATOM 1409 O GLN A 91 -3.148 -13.461 12.295 1.00 0.00 O ATOM 1410 CB GLN A 91 -2.880 -10.320 13.463 1.00 0.00 C ATOM 1411 CG GLN A 91 -1.948 -10.529 14.649 1.00 0.00 C ATOM 1412 CD GLN A 91 -2.405 -11.654 15.583 1.00 0.00 C ATOM 1413 OE1 GLN A 91 -2.685 -11.419 16.753 1.00 0.00 O ATOM 1414 NE2 GLN A 91 -2.524 -12.884 15.104 1.00 0.00 N ATOM 0 H GLN A 91 -2.574 -9.331 11.309 1.00 0.00 H new ATOM 0 HA GLN A 91 -1.537 -11.639 12.380 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.865 -9.267 13.180 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.900 -10.554 13.767 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.947 -10.755 14.281 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.878 -9.601 15.216 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -2.290 -13.077 14.130 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -2.849 -13.638 15.709 1.00 0.00 H new ATOM 1423 N SER A 92 -4.738 -11.975 11.671 1.00 0.00 N ATOM 1424 CA SER A 92 -5.809 -12.918 11.431 1.00 0.00 C ATOM 1425 C SER A 92 -5.576 -13.643 10.107 1.00 0.00 C ATOM 1426 O SER A 92 -5.859 -14.836 10.010 1.00 0.00 O ATOM 1427 CB SER A 92 -7.123 -12.132 11.440 1.00 0.00 C ATOM 1428 OG SER A 92 -8.251 -12.974 11.358 1.00 0.00 O ATOM 0 H SER A 92 -5.016 -11.007 11.512 1.00 0.00 H new ATOM 0 HA SER A 92 -5.847 -13.686 12.204 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.182 -11.537 12.352 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.132 -11.434 10.603 1.00 0.00 H new ATOM 0 HG SER A 92 -9.066 -12.430 11.368 1.00 0.00 H new ATOM 1434 N GLY A 93 -5.050 -12.956 9.092 1.00 0.00 N ATOM 1435 CA GLY A 93 -4.828 -13.506 7.765 1.00 0.00 C ATOM 1436 C GLY A 93 -5.826 -12.986 6.735 1.00 0.00 C ATOM 1437 O GLY A 93 -5.777 -13.446 5.594 1.00 0.00 O ATOM 0 H GLY A 93 -4.762 -11.981 9.177 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.817 -13.262 7.440 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.894 -14.593 7.812 1.00 0.00 H new ATOM 1441 N GLU A 94 -6.691 -12.006 7.053 1.00 0.00 N ATOM 1442 CA GLU A 94 -7.617 -11.504 6.044 1.00 0.00 C ATOM 1443 C GLU A 94 -6.854 -10.855 4.873 1.00 0.00 C ATOM 1444 O GLU A 94 -7.322 -10.886 3.732 1.00 0.00 O ATOM 1445 CB GLU A 94 -8.604 -10.547 6.718 1.00 0.00 C ATOM 1446 CG GLU A 94 -9.774 -10.137 5.813 1.00 0.00 C ATOM 1447 CD GLU A 94 -10.772 -9.236 6.548 1.00 0.00 C ATOM 1448 OE1 GLU A 94 -11.022 -9.460 7.757 1.00 0.00 O ATOM 1449 OE2 GLU A 94 -11.352 -8.324 5.922 1.00 0.00 O ATOM 0 H GLU A 94 -6.762 -11.564 7.970 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.185 -12.326 5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.999 -11.019 7.618 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.070 -9.652 7.036 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -9.390 -9.615 4.936 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.286 -11.030 5.454 1.00 0.00 H new ATOM 1456 N LEU A 95 -5.644 -10.339 5.137 1.00 0.00 N ATOM 1457 CA LEU A 95 -4.734 -9.770 4.142 1.00 0.00 C ATOM 1458 C LEU A 95 -4.241 -10.874 3.230 1.00 0.00 C ATOM 1459 O LEU A 95 -4.096 -10.653 2.039 1.00 0.00 O ATOM 1460 CB LEU A 95 -3.498 -9.119 4.805 1.00 0.00 C ATOM 1461 CG LEU A 95 -3.153 -7.732 4.252 1.00 0.00 C ATOM 1462 CD1 LEU A 95 -2.085 -7.086 5.140 1.00 0.00 C ATOM 1463 CD2 LEU A 95 -2.647 -7.756 2.814 1.00 0.00 C ATOM 0 H LEU A 95 -5.263 -10.307 6.083 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.284 -9.009 3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.674 -9.038 5.878 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.639 -9.776 4.672 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.079 -7.157 4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.836 -6.099 4.750 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.467 -6.989 6.156 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.191 -7.710 5.146 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.423 -6.740 2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.743 -8.363 2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.413 -8.183 2.166 1.00 0.00 H new ATOM 1475 N LEU A 96 -3.952 -12.053 3.781 1.00 0.00 N ATOM 1476 CA LEU A 96 -3.409 -13.181 3.032 1.00 0.00 C ATOM 1477 C LEU A 96 -4.462 -13.690 2.059 1.00 0.00 C ATOM 1478 O LEU A 96 -4.133 -14.037 0.923 1.00 0.00 O ATOM 1479 CB LEU A 96 -2.977 -14.332 3.951 1.00 0.00 C ATOM 1480 CG LEU A 96 -1.816 -14.089 4.943 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -0.833 -15.258 4.841 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -1.024 -12.783 4.772 1.00 0.00 C ATOM 0 H LEU A 96 -4.091 -12.252 4.772 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.526 -12.830 2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.848 -14.639 4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.701 -15.176 3.318 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.299 -14.005 5.916 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.008 -15.101 5.535 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.345 -16.187 5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.445 -15.319 3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.239 -12.732 5.527 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.575 -12.757 3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.695 -11.932 4.889 1.00 0.00 H new ATOM 1494 N THR A 97 -5.723 -13.731 2.487 1.00 0.00 N ATOM 1495 CA THR A 97 -6.853 -14.014 1.622 1.00 0.00 C ATOM 1496 C THR A 97 -6.909 -12.955 0.513 1.00 0.00 C ATOM 1497 O THR A 97 -6.832 -13.297 -0.667 1.00 0.00 O ATOM 1498 CB THR A 97 -8.122 -14.055 2.487 1.00 0.00 C ATOM 1499 OG1 THR A 97 -7.982 -14.980 3.551 1.00 0.00 O ATOM 1500 CG2 THR A 97 -9.366 -14.422 1.682 1.00 0.00 C ATOM 0 H THR A 97 -5.985 -13.565 3.459 1.00 0.00 H new ATOM 0 HA THR A 97 -6.759 -14.982 1.130 1.00 0.00 H new ATOM 0 HB THR A 97 -8.250 -13.047 2.882 1.00 0.00 H new ATOM 0 HG1 THR A 97 -8.802 -14.987 4.088 1.00 0.00 H new ATOM 0 HG21 THR A 97 -10.234 -14.437 2.341 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.520 -13.684 0.895 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.233 -15.407 1.235 1.00 0.00 H new ATOM 1508 N ARG A 98 -6.994 -11.669 0.872 1.00 0.00 N ATOM 1509 CA ARG A 98 -7.188 -10.598 -0.103 1.00 0.00 C ATOM 1510 C ARG A 98 -6.005 -10.471 -1.064 1.00 0.00 C ATOM 1511 O ARG A 98 -6.206 -10.219 -2.246 1.00 0.00 O ATOM 1512 CB ARG A 98 -7.557 -9.296 0.633 1.00 0.00 C ATOM 1513 CG ARG A 98 -8.648 -8.507 -0.109 1.00 0.00 C ATOM 1514 CD ARG A 98 -8.028 -7.412 -0.965 1.00 0.00 C ATOM 1515 NE ARG A 98 -9.008 -6.817 -1.884 1.00 0.00 N ATOM 1516 CZ ARG A 98 -9.808 -5.776 -1.635 1.00 0.00 C ATOM 1517 NH1 ARG A 98 -9.791 -5.157 -0.462 1.00 0.00 N ATOM 1518 NH2 ARG A 98 -10.638 -5.321 -2.565 1.00 0.00 N ATOM 0 H ARG A 98 -6.931 -11.347 1.838 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.027 -10.844 -0.753 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.902 -9.533 1.639 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.668 -8.674 0.739 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.229 -9.182 -0.737 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.339 -8.067 0.610 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.617 -6.636 -0.320 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.197 -7.825 -1.537 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.086 -7.243 -2.808 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.158 -5.474 0.273 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.411 -4.364 -0.295 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.670 -5.767 -3.482 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.244 -4.526 -2.363 1.00 0.00 H new ATOM 1532 N LEU A 99 -4.779 -10.720 -0.601 1.00 0.00 N ATOM 1533 CA LEU A 99 -3.591 -10.876 -1.428 1.00 0.00 C ATOM 1534 C LEU A 99 -3.808 -11.984 -2.431 1.00 0.00 C ATOM 1535 O LEU A 99 -3.592 -11.782 -3.622 1.00 0.00 O ATOM 1536 CB LEU A 99 -2.366 -11.233 -0.557 1.00 0.00 C ATOM 1537 CG LEU A 99 -1.645 -10.028 0.051 1.00 0.00 C ATOM 1538 CD1 LEU A 99 -0.731 -10.484 1.192 1.00 0.00 C ATOM 1539 CD2 LEU A 99 -0.815 -9.317 -1.020 1.00 0.00 C ATOM 0 H LEU A 99 -4.584 -10.821 0.395 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.408 -9.933 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.689 -11.891 0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.657 -11.796 -1.164 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.390 -9.336 0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.222 -9.619 1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.327 -10.971 1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.008 -11.187 0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.306 -8.461 -0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.076 -10.008 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.471 -8.975 -1.821 1.00 0.00 H new ATOM 1551 N LYS A 100 -4.189 -13.181 -1.988 1.00 0.00 N ATOM 1552 CA LYS A 100 -4.367 -14.261 -2.943 1.00 0.00 C ATOM 1553 C LYS A 100 -5.489 -13.984 -3.925 1.00 0.00 C ATOM 1554 O LYS A 100 -5.403 -14.475 -5.050 1.00 0.00 O ATOM 1555 CB LYS A 100 -4.569 -15.600 -2.239 1.00 0.00 C ATOM 1556 CG LYS A 100 -3.439 -16.505 -2.728 1.00 0.00 C ATOM 1557 CD LYS A 100 -3.606 -17.938 -2.203 1.00 0.00 C ATOM 1558 CE LYS A 100 -2.991 -18.962 -3.158 1.00 0.00 C ATOM 1559 NZ LYS A 100 -3.845 -19.195 -4.343 1.00 0.00 N ATOM 0 H LYS A 100 -4.373 -13.418 -1.013 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.446 -14.321 -3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.533 -15.481 -1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.543 -16.026 -2.481 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.423 -16.514 -3.818 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.480 -16.104 -2.399 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.136 -18.025 -1.224 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.665 -18.156 -2.068 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -2.010 -18.614 -3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.837 -19.903 -2.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.435 -19.956 -4.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.799 -19.470 -4.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.902 -18.323 -4.907 1.00 0.00 H new ATOM 1573 N GLN A 101 -6.468 -13.160 -3.561 1.00 0.00 N ATOM 1574 CA GLN A 101 -7.479 -12.720 -4.504 1.00 0.00 C ATOM 1575 C GLN A 101 -6.847 -12.040 -5.727 1.00 0.00 C ATOM 1576 O GLN A 101 -7.394 -12.172 -6.825 1.00 0.00 O ATOM 1577 CB GLN A 101 -8.520 -11.816 -3.814 1.00 0.00 C ATOM 1578 CG GLN A 101 -9.885 -11.852 -4.516 1.00 0.00 C ATOM 1579 CD GLN A 101 -10.531 -13.226 -4.382 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -11.140 -13.537 -3.363 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -10.391 -14.082 -5.379 1.00 0.00 N ATOM 0 H GLN A 101 -6.578 -12.786 -2.618 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.005 -13.602 -4.870 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.640 -12.130 -2.777 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -8.151 -10.790 -3.796 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -10.540 -11.095 -4.085 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.762 -11.605 -5.571 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -9.882 -13.808 -6.219 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -10.792 -15.017 -5.308 1.00 0.00 H new ATOM 1590 N ILE A 102 -5.688 -11.380 -5.592 1.00 0.00 N ATOM 1591 CA ILE A 102 -4.992 -10.725 -6.706 1.00 0.00 C ATOM 1592 C ILE A 102 -3.916 -11.624 -7.339 1.00 0.00 C ATOM 1593 O ILE A 102 -3.123 -11.147 -8.147 1.00 0.00 O ATOM 1594 CB ILE A 102 -4.449 -9.336 -6.285 1.00 0.00 C ATOM 1595 CG1 ILE A 102 -3.122 -9.370 -5.508 1.00 0.00 C ATOM 1596 CG2 ILE A 102 -5.442 -8.584 -5.400 1.00 0.00 C ATOM 1597 CD1 ILE A 102 -2.029 -8.578 -6.212 1.00 0.00 C ATOM 0 H ILE A 102 -5.204 -11.286 -4.699 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.725 -10.554 -7.494 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.287 -8.835 -7.240 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.277 -8.965 -4.508 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.799 -10.404 -5.386 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.024 -7.615 -5.126 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.375 -8.436 -5.944 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.636 -9.163 -4.497 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.110 -8.629 -5.629 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -1.855 -8.999 -7.202 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -2.339 -7.538 -6.310 1.00 0.00 H new ATOM 1609 N GLY A 103 -3.842 -12.906 -6.967 1.00 0.00 N ATOM 1610 CA GLY A 103 -2.851 -13.829 -7.508 1.00 0.00 C ATOM 1611 C GLY A 103 -1.450 -13.592 -6.946 1.00 0.00 C ATOM 1612 O GLY A 103 -0.468 -13.816 -7.645 1.00 0.00 O ATOM 0 H GLY A 103 -4.469 -13.328 -6.282 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.157 -14.852 -7.289 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.823 -13.730 -8.593 1.00 0.00 H new ATOM 1616 N ALA A 104 -1.352 -13.122 -5.699 1.00 0.00 N ATOM 1617 CA ALA A 104 -0.098 -12.863 -5.017 1.00 0.00 C ATOM 1618 C ALA A 104 0.532 -14.165 -4.569 1.00 0.00 C ATOM 1619 O ALA A 104 1.613 -14.486 -5.038 1.00 0.00 O ATOM 1620 CB ALA A 104 -0.426 -12.027 -3.778 1.00 0.00 C ATOM 0 H ALA A 104 -2.170 -12.908 -5.128 1.00 0.00 H new ATOM 0 HA ALA A 104 0.595 -12.348 -5.682 1.00 0.00 H new ATOM 0 HB1 ALA A 104 0.492 -11.808 -3.233 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.898 -11.093 -4.084 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.107 -12.583 -3.133 1.00 0.00 H new ATOM 1626 N LEU A 105 -0.036 -14.848 -3.571 1.00 0.00 N ATOM 1627 CA LEU A 105 0.691 -15.916 -2.942 1.00 0.00 C ATOM 1628 C LEU A 105 0.727 -17.083 -3.911 1.00 0.00 C ATOM 1629 O LEU A 105 -0.291 -17.441 -4.518 1.00 0.00 O ATOM 1630 CB LEU A 105 0.097 -16.316 -1.597 1.00 0.00 C ATOM 1631 CG LEU A 105 -0.418 -15.196 -0.669 1.00 0.00 C ATOM 1632 CD1 LEU A 105 -1.046 -15.792 0.592 1.00 0.00 C ATOM 1633 CD2 LEU A 105 0.705 -14.239 -0.257 1.00 0.00 C ATOM 0 H LEU A 105 -0.971 -14.676 -3.201 1.00 0.00 H new ATOM 0 HA LEU A 105 1.704 -15.581 -2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.731 -16.998 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.855 -16.879 -1.052 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.166 -14.636 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.404 -14.988 1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.882 -16.434 0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.300 -16.380 1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.302 -13.465 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.480 -14.794 0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.134 -13.777 -1.146 1.00 0.00 H new ATOM 1645 N GLN A 106 1.912 -17.647 -4.043 1.00 0.00 N ATOM 1646 CA GLN A 106 2.265 -18.688 -4.976 1.00 0.00 C ATOM 1647 C GLN A 106 3.117 -19.639 -4.169 1.00 0.00 C ATOM 1648 O GLN A 106 2.524 -20.632 -3.703 1.00 0.00 O ATOM 1649 CB GLN A 106 2.973 -18.072 -6.196 1.00 0.00 C ATOM 1650 CG GLN A 106 3.394 -19.169 -7.182 1.00 0.00 C ATOM 1651 CD GLN A 106 3.910 -18.612 -8.506 1.00 0.00 C ATOM 1652 OE1 GLN A 106 5.105 -18.392 -8.704 1.00 0.00 O ATOM 1653 NE2 GLN A 106 3.038 -18.393 -9.475 1.00 0.00 N ATOM 1654 OXT GLN A 106 4.299 -19.317 -3.936 1.00 0.00 O ATOM 0 H GLN A 106 2.702 -17.369 -3.461 1.00 0.00 H new ATOM 0 HA GLN A 106 1.416 -19.225 -5.400 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.308 -17.365 -6.692 1.00 0.00 H new ATOM 0 HB3 GLN A 106 3.849 -17.511 -5.871 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.170 -19.783 -6.725 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.543 -19.822 -7.375 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.046 -18.573 -9.319 1.00 0.00 H new ATOM 0 HE22 GLN A 106 3.357 -18.044 -10.379 1.00 0.00 H new TER 1663 GLN A 106