USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 504 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 39 GLN : amide:sc= -0.151 K(o=-7,f=-8.9!) USER MOD Set 1.2: A 49 HIS : no HD1:sc= -6.83! C(o=-7!,f=-5.8!) USER MOD Set 2.1: A 12 CYS SG : rot 104:sc= -10.3! USER MOD Set 2.2: A 16 GLN : amide:sc= -14.6! C(o=-25!,f=-37!) USER MOD Single : A 1 MET CE :methyl -150:sc= -8.56! (180deg=-14!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.26) USER MOD Single : A 6 ASN : amide:sc= -0.226 X(o=-0.23,f=-0.003) USER MOD Single : A 8 GLN : amide:sc= -0.368 K(o=-0.37,f=-1.8!) USER MOD Single : A 10 MET CE :methyl 148:sc= -5.52! (180deg=-7.04!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 126:sc= 0.24 USER MOD Single : A 19 HIS : no HD1:sc= -0.0702 X(o=-0.07,f=0) USER MOD Single : A 24 GLN : amide:sc= -4.95! C(o=-5!,f=-4.1!) USER MOD Single : A 27 GLN : amide:sc= -2.01 K(o=-2,f=-1.1) USER MOD Single : A 29 GLN : amide:sc= -4.65 K(o=-4.7,f=-14!) USER MOD Single : A 37 ASN : amide:sc= -2.84! C(o=-2.8!,f=-3.2!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0.022) USER MOD Single : A 45 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.37) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.0591 X(o=-0.059,f=-0.31) USER MOD Single : A 56 GLN : amide:sc= -0.445 X(o=-0.45,f=0) USER MOD Single : A 61 GLN : amide:sc= -0.652 K(o=-0.65,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.933 3.291 1.730 1.00 0.00 N ATOM 2 CA MET A 1 13.585 3.234 1.090 1.00 0.00 C ATOM 3 C MET A 1 12.665 4.285 1.685 1.00 0.00 C ATOM 4 O MET A 1 12.719 4.584 2.861 1.00 0.00 O ATOM 5 CB MET A 1 13.027 1.860 1.431 1.00 0.00 C ATOM 6 CG MET A 1 12.192 1.325 0.277 1.00 0.00 C ATOM 7 SD MET A 1 10.521 2.001 0.352 1.00 0.00 S ATOM 8 CE MET A 1 9.790 0.868 -0.859 1.00 0.00 C ATOM 0 H1 MET A 1 15.548 2.565 1.310 1.00 0.00 H new ATOM 0 H2 MET A 1 15.351 4.231 1.575 1.00 0.00 H new ATOM 0 H3 MET A 1 14.840 3.117 2.751 1.00 0.00 H new ATOM 0 HA MET A 1 13.657 3.411 0.017 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.844 1.172 1.646 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.417 1.922 2.332 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.657 1.591 -0.672 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.154 0.236 0.320 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.970 1.367 -1.376 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.548 0.571 -1.583 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.411 -0.017 -0.347 1.00 0.00 H new ATOM 20 N GLN A 2 11.797 4.816 0.892 1.00 0.00 N ATOM 21 CA GLN A 2 10.843 5.814 1.417 1.00 0.00 C ATOM 22 C GLN A 2 9.571 5.733 0.645 1.00 0.00 C ATOM 23 O GLN A 2 9.532 5.308 -0.489 1.00 0.00 O ATOM 24 CB GLN A 2 11.498 7.160 1.228 1.00 0.00 C ATOM 25 CG GLN A 2 10.526 8.259 1.649 1.00 0.00 C ATOM 26 CD GLN A 2 11.234 9.237 2.588 1.00 0.00 C ATOM 27 OE1 GLN A 2 11.089 9.151 3.791 1.00 0.00 O ATOM 28 NE2 GLN A 2 11.996 10.171 2.087 1.00 0.00 N ATOM 0 H GLN A 2 11.705 4.603 -0.101 1.00 0.00 H new ATOM 0 HA GLN A 2 10.605 5.644 2.467 1.00 0.00 H new ATOM 0 HB2 GLN A 2 12.411 7.219 1.821 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.786 7.294 0.185 1.00 0.00 H new ATOM 0 HG2 GLN A 2 10.155 8.787 0.770 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.661 7.822 2.148 1.00 0.00 H new ATOM 0 HE21 GLN A 2 12.117 10.243 1.077 1.00 0.00 H new ATOM 0 HE22 GLN A 2 12.470 10.829 2.706 1.00 0.00 H new ATOM 37 N ILE A 3 8.506 6.053 1.276 1.00 0.00 N ATOM 38 CA ILE A 3 7.238 5.899 0.598 1.00 0.00 C ATOM 39 C ILE A 3 6.251 6.959 1.029 1.00 0.00 C ATOM 40 O ILE A 3 6.487 7.722 1.938 1.00 0.00 O ATOM 41 CB ILE A 3 6.762 4.518 1.050 1.00 0.00 C ATOM 42 CG1 ILE A 3 5.855 4.653 2.286 1.00 0.00 C ATOM 43 CG2 ILE A 3 7.976 3.645 1.414 1.00 0.00 C ATOM 44 CD1 ILE A 3 5.965 3.408 3.177 1.00 0.00 C ATOM 0 H ILE A 3 8.464 6.413 2.229 1.00 0.00 H new ATOM 0 HA ILE A 3 7.328 5.997 -0.484 1.00 0.00 H new ATOM 0 HB ILE A 3 6.204 4.055 0.237 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.136 5.539 2.855 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.821 4.791 1.971 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.634 2.661 1.736 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.621 3.537 0.542 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.534 4.117 2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.316 3.523 4.045 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.661 2.528 2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.996 3.288 3.508 1.00 0.00 H new ATOM 56 N LEU A 4 5.117 6.953 0.429 1.00 0.00 N ATOM 57 CA LEU A 4 4.082 7.896 0.859 1.00 0.00 C ATOM 58 C LEU A 4 2.834 7.104 1.203 1.00 0.00 C ATOM 59 O LEU A 4 2.155 6.601 0.340 1.00 0.00 O ATOM 60 CB LEU A 4 3.824 8.809 -0.331 1.00 0.00 C ATOM 61 CG LEU A 4 2.751 9.827 0.058 1.00 0.00 C ATOM 62 CD1 LEU A 4 1.396 9.137 0.016 1.00 0.00 C ATOM 63 CD2 LEU A 4 3.039 10.335 1.468 1.00 0.00 C ATOM 0 H LEU A 4 4.860 6.336 -0.341 1.00 0.00 H new ATOM 0 HA LEU A 4 4.376 8.478 1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.742 9.320 -0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.497 8.225 -1.192 1.00 0.00 H new ATOM 0 HG LEU A 4 2.752 10.671 -0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.617 9.848 0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.208 8.765 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.390 8.303 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.279 11.062 1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.023 9.498 2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.021 10.808 1.491 1.00 0.00 H new ATOM 75 N PHE A 5 2.513 6.995 2.451 1.00 0.00 N ATOM 76 CA PHE A 5 1.295 6.244 2.814 1.00 0.00 C ATOM 77 C PHE A 5 0.212 7.250 3.222 1.00 0.00 C ATOM 78 O PHE A 5 0.232 7.790 4.308 1.00 0.00 O ATOM 79 CB PHE A 5 1.719 5.372 3.999 1.00 0.00 C ATOM 80 CG PHE A 5 0.551 4.542 4.474 1.00 0.00 C ATOM 81 CD1 PHE A 5 0.291 3.304 3.881 1.00 0.00 C ATOM 82 CD2 PHE A 5 -0.265 5.007 5.511 1.00 0.00 C ATOM 83 CE1 PHE A 5 -0.788 2.529 4.321 1.00 0.00 C ATOM 84 CE2 PHE A 5 -1.344 4.232 5.952 1.00 0.00 C ATOM 85 CZ PHE A 5 -1.605 2.992 5.357 1.00 0.00 C ATOM 0 H PHE A 5 3.037 7.391 3.231 1.00 0.00 H new ATOM 0 HA PHE A 5 0.891 5.637 2.004 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.543 4.721 3.706 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.083 6.001 4.812 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.923 2.945 3.082 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.063 5.963 5.971 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.990 1.573 3.860 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.975 4.591 6.751 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.437 2.393 5.698 1.00 0.00 H new ATOM 95 N ASN A 6 -0.719 7.523 2.355 1.00 0.00 N ATOM 96 CA ASN A 6 -1.782 8.514 2.687 1.00 0.00 C ATOM 97 C ASN A 6 -1.150 9.881 2.931 1.00 0.00 C ATOM 98 O ASN A 6 -1.296 10.486 3.976 1.00 0.00 O ATOM 99 CB ASN A 6 -2.478 7.984 3.941 1.00 0.00 C ATOM 100 CG ASN A 6 -3.873 8.604 4.053 1.00 0.00 C ATOM 101 OD1 ASN A 6 -4.199 9.220 5.049 1.00 0.00 O ATOM 102 ND2 ASN A 6 -4.717 8.462 3.068 1.00 0.00 N ATOM 0 H ASN A 6 -0.792 7.103 1.428 1.00 0.00 H new ATOM 0 HA ASN A 6 -2.501 8.637 1.877 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.554 6.898 3.896 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.889 8.226 4.826 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -5.650 8.868 3.134 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.443 7.945 2.232 1.00 0.00 H new ATOM 109 N ASP A 7 -0.440 10.351 1.954 1.00 0.00 N ATOM 110 CA ASP A 7 0.240 11.671 2.059 1.00 0.00 C ATOM 111 C ASP A 7 1.176 11.668 3.250 1.00 0.00 C ATOM 112 O ASP A 7 1.634 12.696 3.708 1.00 0.00 O ATOM 113 CB ASP A 7 -0.870 12.677 2.243 1.00 0.00 C ATOM 114 CG ASP A 7 -0.295 14.017 2.708 1.00 0.00 C ATOM 115 OD1 ASP A 7 0.742 14.404 2.196 1.00 0.00 O ATOM 116 OD2 ASP A 7 -0.901 14.631 3.570 1.00 0.00 O ATOM 0 H ASP A 7 -0.297 9.869 1.067 1.00 0.00 H new ATOM 0 HA ASP A 7 0.842 11.904 1.181 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.410 12.810 1.305 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.588 12.307 2.975 1.00 0.00 H new ATOM 121 N GLN A 8 1.504 10.514 3.730 1.00 0.00 N ATOM 122 CA GLN A 8 2.449 10.456 4.860 1.00 0.00 C ATOM 123 C GLN A 8 3.741 9.810 4.376 1.00 0.00 C ATOM 124 O GLN A 8 3.751 8.675 3.961 1.00 0.00 O ATOM 125 CB GLN A 8 1.779 9.584 5.912 1.00 0.00 C ATOM 126 CG GLN A 8 0.393 10.144 6.222 1.00 0.00 C ATOM 127 CD GLN A 8 0.171 10.154 7.736 1.00 0.00 C ATOM 128 OE1 GLN A 8 1.103 10.327 8.496 1.00 0.00 O ATOM 129 NE2 GLN A 8 -1.033 9.972 8.210 1.00 0.00 N ATOM 0 H GLN A 8 1.162 9.615 3.392 1.00 0.00 H new ATOM 0 HA GLN A 8 2.689 11.440 5.264 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.697 8.558 5.553 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.384 9.557 6.818 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.300 11.154 5.824 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.372 9.539 5.736 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.816 9.827 7.572 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.190 9.975 9.218 1.00 0.00 H new ATOM 138 N ALA A 9 4.827 10.510 4.408 1.00 0.00 N ATOM 139 CA ALA A 9 6.087 9.893 3.918 1.00 0.00 C ATOM 140 C ALA A 9 6.569 8.814 4.889 1.00 0.00 C ATOM 141 O ALA A 9 6.327 8.873 6.076 1.00 0.00 O ATOM 142 CB ALA A 9 7.081 11.037 3.813 1.00 0.00 C ATOM 0 H ALA A 9 4.904 11.469 4.746 1.00 0.00 H new ATOM 0 HA ALA A 9 5.956 9.396 2.957 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.038 10.656 3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.704 11.784 3.114 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.215 11.493 4.794 1.00 0.00 H new ATOM 148 N MET A 10 7.219 7.810 4.375 1.00 0.00 N ATOM 149 CA MET A 10 7.692 6.684 5.241 1.00 0.00 C ATOM 150 C MET A 10 9.007 6.108 4.755 1.00 0.00 C ATOM 151 O MET A 10 9.577 6.544 3.786 1.00 0.00 O ATOM 152 CB MET A 10 6.678 5.577 5.045 1.00 0.00 C ATOM 153 CG MET A 10 6.455 4.813 6.342 1.00 0.00 C ATOM 154 SD MET A 10 5.122 5.586 7.286 1.00 0.00 S ATOM 155 CE MET A 10 3.788 5.173 6.141 1.00 0.00 C ATOM 0 H MET A 10 7.447 7.716 3.385 1.00 0.00 H new ATOM 0 HA MET A 10 7.809 7.041 6.264 1.00 0.00 H new ATOM 0 HB2 MET A 10 5.734 5.999 4.699 1.00 0.00 H new ATOM 0 HB3 MET A 10 7.024 4.893 4.270 1.00 0.00 H new ATOM 0 HG2 MET A 10 6.204 3.775 6.125 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.372 4.803 6.931 1.00 0.00 H new ATOM 0 HE1 MET A 10 2.864 5.020 6.699 1.00 0.00 H new ATOM 0 HE2 MET A 10 3.653 5.989 5.431 1.00 0.00 H new ATOM 0 HE3 MET A 10 4.041 4.260 5.601 1.00 0.00 H new ATOM 165 N GLN A 11 9.426 5.063 5.410 1.00 0.00 N ATOM 166 CA GLN A 11 10.639 4.321 5.003 1.00 0.00 C ATOM 167 C GLN A 11 10.413 2.862 5.365 1.00 0.00 C ATOM 168 O GLN A 11 10.151 2.519 6.500 1.00 0.00 O ATOM 169 CB GLN A 11 11.829 4.852 5.778 1.00 0.00 C ATOM 170 CG GLN A 11 11.470 6.135 6.530 1.00 0.00 C ATOM 171 CD GLN A 11 12.564 6.450 7.546 1.00 0.00 C ATOM 172 OE1 GLN A 11 12.544 5.949 8.653 1.00 0.00 O ATOM 173 NE2 GLN A 11 13.526 7.265 7.217 1.00 0.00 N ATOM 0 H GLN A 11 8.960 4.685 6.235 1.00 0.00 H new ATOM 0 HA GLN A 11 10.831 4.433 3.936 1.00 0.00 H new ATOM 0 HB2 GLN A 11 12.173 4.097 6.485 1.00 0.00 H new ATOM 0 HB3 GLN A 11 12.655 5.047 5.094 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.361 6.962 5.829 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.512 6.017 7.036 1.00 0.00 H new ATOM 0 HE21 GLN A 11 13.543 7.685 6.288 1.00 0.00 H new ATOM 0 HE22 GLN A 11 14.262 7.482 7.889 1.00 0.00 H new ATOM 182 N CYS A 12 10.483 2.017 4.404 1.00 0.00 N ATOM 183 CA CYS A 12 10.238 0.565 4.659 1.00 0.00 C ATOM 184 C CYS A 12 11.171 -0.312 3.835 1.00 0.00 C ATOM 185 O CYS A 12 12.179 0.127 3.322 1.00 0.00 O ATOM 186 CB CYS A 12 8.795 0.335 4.227 1.00 0.00 C ATOM 187 SG CYS A 12 8.674 0.563 2.438 1.00 0.00 S ATOM 0 H CYS A 12 10.701 2.255 3.436 1.00 0.00 H new ATOM 0 HA CYS A 12 10.417 0.308 5.703 1.00 0.00 H new ATOM 0 HB2 CYS A 12 8.476 -0.670 4.501 1.00 0.00 H new ATOM 0 HB3 CYS A 12 8.132 1.031 4.741 1.00 0.00 H new ATOM 0 HG CYS A 12 8.595 -0.597 1.857 1.00 0.00 H new ATOM 193 N ALA A 13 10.834 -1.562 3.729 1.00 0.00 N ATOM 194 CA ALA A 13 11.674 -2.509 2.967 1.00 0.00 C ATOM 195 C ALA A 13 11.495 -2.332 1.461 1.00 0.00 C ATOM 196 O ALA A 13 10.464 -2.644 0.906 1.00 0.00 O ATOM 197 CB ALA A 13 11.184 -3.890 3.395 1.00 0.00 C ATOM 0 H ALA A 13 9.998 -1.971 4.146 1.00 0.00 H new ATOM 0 HA ALA A 13 12.734 -2.353 3.167 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.757 -4.657 2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 13 11.317 -4.006 4.471 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.128 -3.995 3.146 1.00 0.00 H new ATOM 203 N ALA A 14 12.494 -1.839 0.794 1.00 0.00 N ATOM 204 CA ALA A 14 12.378 -1.667 -0.680 1.00 0.00 C ATOM 205 C ALA A 14 12.242 -3.024 -1.359 1.00 0.00 C ATOM 206 O ALA A 14 12.849 -4.000 -0.963 1.00 0.00 O ATOM 207 CB ALA A 14 13.672 -0.989 -1.115 1.00 0.00 C ATOM 0 H ALA A 14 13.383 -1.548 1.200 1.00 0.00 H new ATOM 0 HA ALA A 14 11.501 -1.079 -0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 14 13.655 -0.831 -2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.767 -0.028 -0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.520 -1.622 -0.854 1.00 0.00 H new ATOM 213 N GLY A 15 11.445 -3.082 -2.377 1.00 0.00 N ATOM 214 CA GLY A 15 11.240 -4.354 -3.105 1.00 0.00 C ATOM 215 C GLY A 15 10.216 -5.204 -2.353 1.00 0.00 C ATOM 216 O GLY A 15 9.916 -6.318 -2.732 1.00 0.00 O ATOM 0 H GLY A 15 10.918 -2.289 -2.742 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.891 -4.155 -4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 15 12.183 -4.893 -3.193 1.00 0.00 H new ATOM 220 N GLN A 16 9.672 -4.676 -1.291 1.00 0.00 N ATOM 221 CA GLN A 16 8.660 -5.435 -0.510 1.00 0.00 C ATOM 222 C GLN A 16 7.254 -5.051 -0.993 1.00 0.00 C ATOM 223 O GLN A 16 6.935 -3.888 -1.107 1.00 0.00 O ATOM 224 CB GLN A 16 8.919 -5.001 0.938 1.00 0.00 C ATOM 225 CG GLN A 16 7.883 -3.970 1.410 1.00 0.00 C ATOM 226 CD GLN A 16 8.372 -3.297 2.692 1.00 0.00 C ATOM 227 OE1 GLN A 16 8.741 -2.142 2.676 1.00 0.00 O ATOM 228 NE2 GLN A 16 8.385 -3.968 3.810 1.00 0.00 N ATOM 0 H GLN A 16 9.887 -3.746 -0.930 1.00 0.00 H new ATOM 0 HA GLN A 16 8.729 -6.517 -0.618 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.890 -5.873 1.591 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.920 -4.576 1.018 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.721 -3.222 0.634 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.925 -4.458 1.587 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.075 -4.940 3.825 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.705 -3.521 4.669 1.00 0.00 H new ATOM 237 N THR A 17 6.415 -5.994 -1.308 1.00 0.00 N ATOM 238 CA THR A 17 5.065 -5.609 -1.798 1.00 0.00 C ATOM 239 C THR A 17 4.331 -4.734 -0.801 1.00 0.00 C ATOM 240 O THR A 17 4.868 -4.226 0.161 1.00 0.00 O ATOM 241 CB THR A 17 4.225 -6.876 -1.931 1.00 0.00 C ATOM 242 OG1 THR A 17 3.704 -7.220 -0.655 1.00 0.00 O ATOM 243 CG2 THR A 17 5.039 -8.042 -2.447 1.00 0.00 C ATOM 0 H THR A 17 6.599 -6.996 -1.250 1.00 0.00 H new ATOM 0 HA THR A 17 5.197 -5.074 -2.738 1.00 0.00 H new ATOM 0 HB THR A 17 3.426 -6.674 -2.644 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.730 -7.307 -0.712 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.402 -8.923 -2.527 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.444 -7.797 -3.429 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.858 -8.247 -1.758 1.00 0.00 H new ATOM 251 N VAL A 18 3.067 -4.627 -1.048 1.00 0.00 N ATOM 252 CA VAL A 18 2.139 -3.872 -0.181 1.00 0.00 C ATOM 253 C VAL A 18 1.824 -4.719 1.015 1.00 0.00 C ATOM 254 O VAL A 18 2.085 -4.366 2.143 1.00 0.00 O ATOM 255 CB VAL A 18 0.917 -3.807 -1.022 1.00 0.00 C ATOM 256 CG1 VAL A 18 -0.180 -3.057 -0.297 1.00 0.00 C ATOM 257 CG2 VAL A 18 1.266 -3.156 -2.342 1.00 0.00 C ATOM 0 H VAL A 18 2.617 -5.055 -1.858 1.00 0.00 H new ATOM 0 HA VAL A 18 2.518 -2.906 0.152 1.00 0.00 H new ATOM 0 HB VAL A 18 0.542 -4.812 -1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.070 -3.017 -0.925 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.417 -3.570 0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.156 -2.043 -0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.375 -3.103 -2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.644 -2.149 -2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.030 -3.746 -2.848 1.00 0.00 H new ATOM 267 N HIS A 19 1.322 -5.901 0.755 1.00 0.00 N ATOM 268 CA HIS A 19 1.060 -6.831 1.861 1.00 0.00 C ATOM 269 C HIS A 19 2.340 -6.857 2.659 1.00 0.00 C ATOM 270 O HIS A 19 2.366 -7.034 3.865 1.00 0.00 O ATOM 271 CB HIS A 19 0.849 -8.176 1.169 1.00 0.00 C ATOM 272 CG HIS A 19 0.416 -9.198 2.183 1.00 0.00 C ATOM 273 ND1 HIS A 19 -0.900 -9.622 2.297 1.00 0.00 N ATOM 274 CD2 HIS A 19 1.114 -9.882 3.148 1.00 0.00 C ATOM 275 CE1 HIS A 19 -0.951 -10.519 3.298 1.00 0.00 C ATOM 276 NE2 HIS A 19 0.250 -10.714 3.851 1.00 0.00 N ATOM 0 H HIS A 19 1.088 -6.248 -0.175 1.00 0.00 H new ATOM 0 HA HIS A 19 0.216 -6.580 2.504 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.095 -8.081 0.388 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.771 -8.497 0.685 1.00 0.00 H new ATOM 0 HD2 HIS A 19 2.174 -9.788 3.333 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -1.853 -11.021 3.616 1.00 0.00 H new ATOM 0 HE2 HIS A 19 0.483 -11.339 4.623 1.00 0.00 H new ATOM 284 N GLU A 20 3.409 -6.620 1.950 1.00 0.00 N ATOM 285 CA GLU A 20 4.742 -6.580 2.597 1.00 0.00 C ATOM 286 C GLU A 20 4.970 -5.202 3.207 1.00 0.00 C ATOM 287 O GLU A 20 5.569 -5.068 4.257 1.00 0.00 O ATOM 288 CB GLU A 20 5.733 -6.851 1.468 1.00 0.00 C ATOM 289 CG GLU A 20 5.716 -8.341 1.115 1.00 0.00 C ATOM 290 CD GLU A 20 6.143 -9.164 2.333 1.00 0.00 C ATOM 291 OE1 GLU A 20 7.279 -9.019 2.753 1.00 0.00 O ATOM 292 OE2 GLU A 20 5.326 -9.927 2.823 1.00 0.00 O ATOM 0 H GLU A 20 3.412 -6.452 0.944 1.00 0.00 H new ATOM 0 HA GLU A 20 4.846 -7.307 3.403 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.473 -6.257 0.592 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.736 -6.550 1.771 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.717 -8.638 0.796 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.388 -8.534 0.279 1.00 0.00 H new ATOM 299 N LEU A 21 4.496 -4.171 2.562 1.00 0.00 N ATOM 300 CA LEU A 21 4.694 -2.808 3.124 1.00 0.00 C ATOM 301 C LEU A 21 3.705 -2.581 4.270 1.00 0.00 C ATOM 302 O LEU A 21 4.085 -2.283 5.385 1.00 0.00 O ATOM 303 CB LEU A 21 4.410 -1.865 1.947 1.00 0.00 C ATOM 304 CG LEU A 21 5.128 -0.505 2.092 1.00 0.00 C ATOM 305 CD1 LEU A 21 4.082 0.600 2.203 1.00 0.00 C ATOM 306 CD2 LEU A 21 6.036 -0.469 3.329 1.00 0.00 C ATOM 0 H LEU A 21 3.986 -4.213 1.680 1.00 0.00 H new ATOM 0 HA LEU A 21 5.692 -2.649 3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.726 -2.342 1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.336 -1.699 1.870 1.00 0.00 H new ATOM 0 HG LEU A 21 5.754 -0.356 1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.580 1.564 2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.462 0.606 1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.455 0.421 3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.523 0.504 3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.438 -0.637 4.225 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.793 -1.249 3.247 1.00 0.00 H new ATOM 318 N LEU A 22 2.440 -2.740 4.003 1.00 0.00 N ATOM 319 CA LEU A 22 1.416 -2.560 5.066 1.00 0.00 C ATOM 320 C LEU A 22 1.806 -3.356 6.304 1.00 0.00 C ATOM 321 O LEU A 22 1.918 -2.833 7.395 1.00 0.00 O ATOM 322 CB LEU A 22 0.150 -3.162 4.461 1.00 0.00 C ATOM 323 CG LEU A 22 -0.512 -2.150 3.540 1.00 0.00 C ATOM 324 CD1 LEU A 22 -1.371 -2.879 2.505 1.00 0.00 C ATOM 325 CD2 LEU A 22 -1.393 -1.248 4.388 1.00 0.00 C ATOM 0 H LEU A 22 2.069 -2.989 3.086 1.00 0.00 H new ATOM 0 HA LEU A 22 1.300 -1.518 5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.396 -4.067 3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.540 -3.452 5.253 1.00 0.00 H new ATOM 0 HG LEU A 22 0.244 -1.563 3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.844 -2.150 1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.742 -3.546 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.140 -3.460 3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.881 -0.511 3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.150 -1.849 4.892 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.781 -0.736 5.131 1.00 0.00 H new ATOM 337 N GLU A 23 2.012 -4.625 6.131 1.00 0.00 N ATOM 338 CA GLU A 23 2.396 -5.483 7.290 1.00 0.00 C ATOM 339 C GLU A 23 3.634 -4.915 7.985 1.00 0.00 C ATOM 340 O GLU A 23 3.681 -4.811 9.194 1.00 0.00 O ATOM 341 CB GLU A 23 2.707 -6.843 6.679 1.00 0.00 C ATOM 342 CG GLU A 23 3.053 -7.843 7.784 1.00 0.00 C ATOM 343 CD GLU A 23 1.764 -8.372 8.419 1.00 0.00 C ATOM 344 OE1 GLU A 23 0.755 -8.395 7.733 1.00 0.00 O ATOM 345 OE2 GLU A 23 1.807 -8.746 9.581 1.00 0.00 O ATOM 0 H GLU A 23 1.932 -5.111 5.238 1.00 0.00 H new ATOM 0 HA GLU A 23 1.609 -5.539 8.042 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.849 -7.200 6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.540 -6.756 5.981 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.633 -8.669 7.373 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.673 -7.364 8.541 1.00 0.00 H new ATOM 352 N GLN A 24 4.637 -4.536 7.238 1.00 0.00 N ATOM 353 CA GLN A 24 5.853 -3.970 7.885 1.00 0.00 C ATOM 354 C GLN A 24 5.453 -2.715 8.658 1.00 0.00 C ATOM 355 O GLN A 24 5.868 -2.496 9.779 1.00 0.00 O ATOM 356 CB GLN A 24 6.793 -3.620 6.729 1.00 0.00 C ATOM 357 CG GLN A 24 8.182 -3.267 7.271 1.00 0.00 C ATOM 358 CD GLN A 24 8.100 -2.035 8.174 1.00 0.00 C ATOM 359 OE1 GLN A 24 7.901 -0.933 7.701 1.00 0.00 O ATOM 360 NE2 GLN A 24 8.247 -2.176 9.463 1.00 0.00 N ATOM 0 H GLN A 24 4.666 -4.593 6.220 1.00 0.00 H new ATOM 0 HA GLN A 24 6.329 -4.657 8.585 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.865 -4.462 6.041 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.390 -2.780 6.163 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.587 -4.110 7.830 1.00 0.00 H new ATOM 0 HG3 GLN A 24 8.865 -3.075 6.444 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.414 -3.101 9.859 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.195 -1.361 10.074 1.00 0.00 H new ATOM 369 N LEU A 25 4.639 -1.895 8.060 1.00 0.00 N ATOM 370 CA LEU A 25 4.183 -0.658 8.733 1.00 0.00 C ATOM 371 C LEU A 25 3.277 -1.030 9.910 1.00 0.00 C ATOM 372 O LEU A 25 3.061 -0.238 10.802 1.00 0.00 O ATOM 373 CB LEU A 25 3.415 0.088 7.645 1.00 0.00 C ATOM 374 CG LEU A 25 4.351 0.376 6.462 1.00 0.00 C ATOM 375 CD1 LEU A 25 3.527 0.578 5.187 1.00 0.00 C ATOM 376 CD2 LEU A 25 5.171 1.640 6.736 1.00 0.00 C ATOM 0 H LEU A 25 4.267 -2.034 7.121 1.00 0.00 H new ATOM 0 HA LEU A 25 4.991 -0.052 9.143 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.564 -0.507 7.313 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.016 1.021 8.042 1.00 0.00 H new ATOM 0 HG LEU A 25 5.025 -0.471 6.334 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.195 0.782 4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.951 -0.324 4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.848 1.420 5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.831 1.835 5.891 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.499 2.487 6.875 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.767 1.499 7.638 1.00 0.00 H new ATOM 388 N ASP A 26 2.740 -2.237 9.876 1.00 0.00 N ATOM 389 CA ASP A 26 1.817 -2.759 10.942 1.00 0.00 C ATOM 390 C ASP A 26 0.379 -2.483 10.523 1.00 0.00 C ATOM 391 O ASP A 26 -0.485 -2.205 11.331 1.00 0.00 O ATOM 392 CB ASP A 26 2.157 -2.025 12.237 1.00 0.00 C ATOM 393 CG ASP A 26 1.518 -2.747 13.426 1.00 0.00 C ATOM 394 OD1 ASP A 26 0.849 -3.742 13.200 1.00 0.00 O ATOM 395 OD2 ASP A 26 1.704 -2.289 14.542 1.00 0.00 O ATOM 0 H ASP A 26 2.913 -2.903 9.123 1.00 0.00 H new ATOM 0 HA ASP A 26 1.932 -3.833 11.087 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.238 -1.979 12.366 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.798 -0.997 12.188 1.00 0.00 H new ATOM 400 N GLN A 27 0.133 -2.549 9.247 1.00 0.00 N ATOM 401 CA GLN A 27 -1.232 -2.286 8.722 1.00 0.00 C ATOM 402 C GLN A 27 -1.671 -3.466 7.857 1.00 0.00 C ATOM 403 O GLN A 27 -0.856 -4.123 7.240 1.00 0.00 O ATOM 404 CB GLN A 27 -1.082 -1.025 7.868 1.00 0.00 C ATOM 405 CG GLN A 27 -0.146 -0.031 8.566 1.00 0.00 C ATOM 406 CD GLN A 27 -0.838 1.329 8.669 1.00 0.00 C ATOM 407 OE1 GLN A 27 -1.776 1.490 9.425 1.00 0.00 O ATOM 408 NE2 GLN A 27 -0.413 2.323 7.938 1.00 0.00 N ATOM 0 H GLN A 27 0.829 -2.777 8.537 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.976 -2.158 9.508 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.685 -1.285 6.887 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.058 -0.567 7.706 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.114 -0.395 9.560 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.785 0.063 8.007 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.374 2.189 7.303 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.868 3.234 8.001 1.00 0.00 H new ATOM 417 N ARG A 28 -2.941 -3.746 7.792 1.00 0.00 N ATOM 418 CA ARG A 28 -3.395 -4.880 6.958 1.00 0.00 C ATOM 419 C ARG A 28 -4.427 -4.377 5.944 1.00 0.00 C ATOM 420 O ARG A 28 -4.150 -3.492 5.159 1.00 0.00 O ATOM 421 CB ARG A 28 -4.000 -5.877 7.949 1.00 0.00 C ATOM 422 CG ARG A 28 -2.878 -6.502 8.786 1.00 0.00 C ATOM 423 CD ARG A 28 -2.249 -7.662 8.010 1.00 0.00 C ATOM 424 NE ARG A 28 -3.271 -8.744 8.048 1.00 0.00 N ATOM 425 CZ ARG A 28 -2.914 -9.989 7.891 1.00 0.00 C ATOM 426 NH1 ARG A 28 -1.819 -10.430 8.448 1.00 0.00 N ATOM 427 NH2 ARG A 28 -3.653 -10.794 7.177 1.00 0.00 N ATOM 0 H ARG A 28 -3.679 -3.238 8.280 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.595 -5.345 6.382 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.716 -5.373 8.598 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.546 -6.654 7.414 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.121 -5.752 9.017 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.274 -6.859 9.737 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.017 -7.373 6.985 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.314 -7.984 8.469 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.253 -8.511 8.197 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.242 -9.801 9.006 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.540 -11.403 8.325 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.509 -10.450 6.742 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.374 -11.767 7.054 1.00 0.00 H new ATOM 441 N GLN A 29 -5.604 -4.932 5.939 1.00 0.00 N ATOM 442 CA GLN A 29 -6.635 -4.480 4.959 1.00 0.00 C ATOM 443 C GLN A 29 -8.021 -4.434 5.604 1.00 0.00 C ATOM 444 O GLN A 29 -8.631 -3.389 5.710 1.00 0.00 O ATOM 445 CB GLN A 29 -6.612 -5.531 3.849 1.00 0.00 C ATOM 446 CG GLN A 29 -5.165 -5.876 3.505 1.00 0.00 C ATOM 447 CD GLN A 29 -4.737 -7.105 4.307 1.00 0.00 C ATOM 448 OE1 GLN A 29 -4.003 -6.993 5.268 1.00 0.00 O ATOM 449 NE2 GLN A 29 -5.170 -8.284 3.951 1.00 0.00 N ATOM 0 H GLN A 29 -5.900 -5.678 6.569 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.425 -3.476 4.591 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.144 -6.426 4.170 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.127 -5.154 2.966 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.069 -6.072 2.437 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.513 -5.033 3.734 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.787 -8.379 3.144 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.892 -9.111 4.480 1.00 0.00 H new ATOM 458 N ALA A 30 -8.534 -5.562 6.020 1.00 0.00 N ATOM 459 CA ALA A 30 -9.894 -5.574 6.636 1.00 0.00 C ATOM 460 C ALA A 30 -10.925 -5.147 5.603 1.00 0.00 C ATOM 461 O ALA A 30 -12.064 -4.866 5.922 1.00 0.00 O ATOM 462 CB ALA A 30 -9.843 -4.531 7.738 1.00 0.00 C ATOM 0 H ALA A 30 -8.074 -6.470 5.961 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.164 -6.563 7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.810 -4.482 8.238 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.074 -4.803 8.461 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.608 -3.558 7.307 1.00 0.00 H new ATOM 468 N GLY A 31 -10.531 -5.066 4.372 1.00 0.00 N ATOM 469 CA GLY A 31 -11.480 -4.622 3.333 1.00 0.00 C ATOM 470 C GLY A 31 -10.994 -3.284 2.778 1.00 0.00 C ATOM 471 O GLY A 31 -11.737 -2.539 2.174 1.00 0.00 O ATOM 0 H GLY A 31 -9.592 -5.288 4.041 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.544 -5.363 2.536 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.481 -4.518 3.752 1.00 0.00 H new ATOM 475 N ALA A 32 -9.746 -2.971 3.006 1.00 0.00 N ATOM 476 CA ALA A 32 -9.185 -1.675 2.532 1.00 0.00 C ATOM 477 C ALA A 32 -8.731 -1.751 1.072 1.00 0.00 C ATOM 478 O ALA A 32 -8.650 -2.809 0.481 1.00 0.00 O ATOM 479 CB ALA A 32 -7.955 -1.444 3.418 1.00 0.00 C ATOM 0 H ALA A 32 -9.085 -3.566 3.506 1.00 0.00 H new ATOM 0 HA ALA A 32 -9.930 -0.882 2.592 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.476 -0.506 3.138 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.263 -1.396 4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.251 -2.265 3.284 1.00 0.00 H new ATOM 485 N ALA A 33 -8.386 -0.622 0.514 1.00 0.00 N ATOM 486 CA ALA A 33 -7.869 -0.586 -0.890 1.00 0.00 C ATOM 487 C ALA A 33 -6.897 0.585 -0.976 1.00 0.00 C ATOM 488 O ALA A 33 -6.966 1.493 -0.179 1.00 0.00 O ATOM 489 CB ALA A 33 -9.081 -0.385 -1.801 1.00 0.00 C ATOM 0 H ALA A 33 -8.440 0.287 0.973 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.349 -1.497 -1.187 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.754 -0.352 -2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.778 -1.212 -1.666 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.576 0.552 -1.547 1.00 0.00 H new ATOM 495 N LEU A 34 -5.958 0.577 -1.879 1.00 0.00 N ATOM 496 CA LEU A 34 -4.997 1.710 -1.882 1.00 0.00 C ATOM 497 C LEU A 34 -4.493 2.042 -3.291 1.00 0.00 C ATOM 498 O LEU A 34 -4.552 1.229 -4.191 1.00 0.00 O ATOM 499 CB LEU A 34 -3.868 1.222 -0.950 1.00 0.00 C ATOM 500 CG LEU A 34 -2.492 1.291 -1.630 1.00 0.00 C ATOM 501 CD1 LEU A 34 -1.395 0.994 -0.604 1.00 0.00 C ATOM 502 CD2 LEU A 34 -2.417 0.253 -2.750 1.00 0.00 C ATOM 0 H LEU A 34 -5.817 -0.139 -2.592 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.445 2.644 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.856 1.830 -0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.070 0.196 -0.642 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.350 2.290 -2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.420 1.044 -1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.439 1.730 0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.544 -0.003 -0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.440 0.305 -3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.564 -0.743 -2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.194 0.456 -3.487 1.00 0.00 H new ATOM 514 N ALA A 35 -3.983 3.236 -3.482 1.00 0.00 N ATOM 515 CA ALA A 35 -3.466 3.604 -4.827 1.00 0.00 C ATOM 516 C ALA A 35 -1.994 3.972 -4.740 1.00 0.00 C ATOM 517 O ALA A 35 -1.614 4.915 -4.077 1.00 0.00 O ATOM 518 CB ALA A 35 -4.297 4.807 -5.273 1.00 0.00 C ATOM 0 H ALA A 35 -3.905 3.961 -2.769 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.548 2.779 -5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.967 5.131 -6.260 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.349 4.527 -5.316 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.167 5.623 -4.562 1.00 0.00 H new ATOM 524 N ILE A 36 -1.159 3.239 -5.414 1.00 0.00 N ATOM 525 CA ILE A 36 0.286 3.565 -5.363 1.00 0.00 C ATOM 526 C ILE A 36 0.666 4.394 -6.584 1.00 0.00 C ATOM 527 O ILE A 36 0.251 4.118 -7.681 1.00 0.00 O ATOM 528 CB ILE A 36 1.024 2.229 -5.367 1.00 0.00 C ATOM 529 CG1 ILE A 36 0.417 1.313 -4.296 1.00 0.00 C ATOM 530 CG2 ILE A 36 2.499 2.493 -5.062 1.00 0.00 C ATOM 531 CD1 ILE A 36 1.408 0.211 -3.906 1.00 0.00 C ATOM 0 H ILE A 36 -1.411 2.437 -5.992 1.00 0.00 H new ATOM 0 HA ILE A 36 0.542 4.147 -4.478 1.00 0.00 H new ATOM 0 HB ILE A 36 0.932 1.742 -6.338 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.151 1.899 -3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.504 0.866 -4.671 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.045 1.549 -5.060 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.916 3.152 -5.824 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.589 2.966 -4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.960 -0.429 -3.146 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.652 -0.386 -4.785 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.317 0.663 -3.510 1.00 0.00 H new ATOM 543 N ASN A 37 1.438 5.420 -6.400 1.00 0.00 N ATOM 544 CA ASN A 37 1.829 6.275 -7.557 1.00 0.00 C ATOM 545 C ASN A 37 0.578 6.802 -8.274 1.00 0.00 C ATOM 546 O ASN A 37 0.658 7.260 -9.392 1.00 0.00 O ATOM 547 CB ASN A 37 2.626 5.363 -8.493 1.00 0.00 C ATOM 548 CG ASN A 37 3.755 4.681 -7.718 1.00 0.00 C ATOM 549 OD1 ASN A 37 4.485 5.324 -6.991 1.00 0.00 O ATOM 550 ND2 ASN A 37 3.932 3.394 -7.847 1.00 0.00 N ATOM 0 H ASN A 37 1.819 5.708 -5.499 1.00 0.00 H new ATOM 0 HA ASN A 37 2.412 7.140 -7.240 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.968 4.612 -8.931 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.039 5.945 -9.317 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.683 2.929 -7.337 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.319 2.854 -8.457 1.00 0.00 H new ATOM 557 N GLN A 38 -0.563 6.730 -7.618 1.00 0.00 N ATOM 558 CA GLN A 38 -1.873 7.209 -8.194 1.00 0.00 C ATOM 559 C GLN A 38 -2.622 6.068 -8.886 1.00 0.00 C ATOM 560 O GLN A 38 -3.751 6.232 -9.303 1.00 0.00 O ATOM 561 CB GLN A 38 -1.568 8.369 -9.165 1.00 0.00 C ATOM 562 CG GLN A 38 -1.513 7.879 -10.621 1.00 0.00 C ATOM 563 CD GLN A 38 -1.066 9.029 -11.526 1.00 0.00 C ATOM 564 OE1 GLN A 38 0.036 9.524 -11.402 1.00 0.00 O ATOM 565 NE2 GLN A 38 -1.886 9.483 -12.435 1.00 0.00 N ATOM 0 H GLN A 38 -0.644 6.347 -6.676 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.528 7.563 -7.398 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.333 9.139 -9.067 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.617 8.829 -8.898 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.821 7.042 -10.709 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.493 7.516 -10.932 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.812 9.068 -12.540 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.601 10.253 -13.040 1.00 0.00 H new ATOM 574 N GLN A 39 -2.040 4.904 -8.984 1.00 0.00 N ATOM 575 CA GLN A 39 -2.791 3.787 -9.615 1.00 0.00 C ATOM 576 C GLN A 39 -3.463 2.967 -8.521 1.00 0.00 C ATOM 577 O GLN A 39 -2.810 2.327 -7.722 1.00 0.00 O ATOM 578 CB GLN A 39 -1.777 2.929 -10.387 1.00 0.00 C ATOM 579 CG GLN A 39 -0.566 2.598 -9.520 1.00 0.00 C ATOM 580 CD GLN A 39 0.066 1.296 -10.014 1.00 0.00 C ATOM 581 OE1 GLN A 39 -0.192 0.238 -9.478 1.00 0.00 O ATOM 582 NE2 GLN A 39 0.892 1.333 -11.023 1.00 0.00 N ATOM 0 H GLN A 39 -1.098 4.682 -8.662 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.560 4.154 -10.295 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.254 2.007 -10.719 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -1.453 3.460 -11.282 1.00 0.00 H new ATOM 0 HG2 GLN A 39 0.161 3.409 -9.565 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.867 2.497 -8.477 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.108 2.223 -11.473 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.322 0.472 -11.362 1.00 0.00 H new ATOM 591 N ILE A 40 -4.763 2.980 -8.469 1.00 0.00 N ATOM 592 CA ILE A 40 -5.447 2.193 -7.407 1.00 0.00 C ATOM 593 C ILE A 40 -5.331 0.709 -7.723 1.00 0.00 C ATOM 594 O ILE A 40 -5.820 0.228 -8.727 1.00 0.00 O ATOM 595 CB ILE A 40 -6.914 2.619 -7.428 1.00 0.00 C ATOM 596 CG1 ILE A 40 -7.054 4.018 -6.818 1.00 0.00 C ATOM 597 CG2 ILE A 40 -7.731 1.616 -6.603 1.00 0.00 C ATOM 598 CD1 ILE A 40 -6.623 5.075 -7.835 1.00 0.00 C ATOM 0 H ILE A 40 -5.375 3.492 -9.104 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.002 2.369 -6.427 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.278 2.640 -8.455 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -8.087 4.191 -6.516 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.442 4.095 -5.919 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -8.781 1.909 -6.610 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.629 0.621 -7.035 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.364 1.605 -5.577 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.725 6.067 -7.394 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.583 4.908 -8.115 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.253 5.005 -8.722 1.00 0.00 H new ATOM 610 N VAL A 41 -4.676 -0.017 -6.865 1.00 0.00 N ATOM 611 CA VAL A 41 -4.506 -1.473 -7.090 1.00 0.00 C ATOM 612 C VAL A 41 -5.435 -2.251 -6.203 1.00 0.00 C ATOM 613 O VAL A 41 -5.685 -1.877 -5.075 1.00 0.00 O ATOM 614 CB VAL A 41 -3.095 -1.792 -6.659 1.00 0.00 C ATOM 615 CG1 VAL A 41 -2.801 -3.261 -6.967 1.00 0.00 C ATOM 616 CG2 VAL A 41 -2.131 -0.886 -7.413 1.00 0.00 C ATOM 0 H VAL A 41 -4.248 0.340 -6.011 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.710 -1.728 -8.130 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.976 -1.624 -5.589 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.783 -3.501 -6.659 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.503 -3.894 -6.424 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.907 -3.437 -8.038 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.108 -1.109 -7.108 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.235 -1.055 -8.485 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.358 0.156 -7.186 1.00 0.00 H new ATOM 626 N PRO A 42 -5.888 -3.331 -6.723 1.00 0.00 N ATOM 627 CA PRO A 42 -6.762 -4.191 -5.942 1.00 0.00 C ATOM 628 C PRO A 42 -6.006 -4.900 -4.833 1.00 0.00 C ATOM 629 O PRO A 42 -5.056 -5.626 -5.043 1.00 0.00 O ATOM 630 CB PRO A 42 -7.300 -5.171 -6.942 1.00 0.00 C ATOM 631 CG PRO A 42 -6.308 -5.196 -8.059 1.00 0.00 C ATOM 632 CD PRO A 42 -5.644 -3.847 -8.073 1.00 0.00 C ATOM 0 HA PRO A 42 -7.549 -3.629 -5.439 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.415 -6.160 -6.498 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.284 -4.866 -7.299 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.574 -5.988 -7.908 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.801 -5.395 -9.011 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.578 -3.927 -8.286 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.073 -3.196 -8.835 1.00 0.00 H new ATOM 640 N ARG A 43 -6.474 -4.672 -3.663 1.00 0.00 N ATOM 641 CA ARG A 43 -5.901 -5.283 -2.420 1.00 0.00 C ATOM 642 C ARG A 43 -5.136 -6.569 -2.689 1.00 0.00 C ATOM 643 O ARG A 43 -4.030 -6.765 -2.227 1.00 0.00 O ATOM 644 CB ARG A 43 -7.119 -5.612 -1.552 1.00 0.00 C ATOM 645 CG ARG A 43 -8.283 -6.133 -2.408 1.00 0.00 C ATOM 646 CD ARG A 43 -9.567 -6.112 -1.578 1.00 0.00 C ATOM 647 NE ARG A 43 -9.262 -6.946 -0.385 1.00 0.00 N ATOM 648 CZ ARG A 43 -9.609 -8.203 -0.365 1.00 0.00 C ATOM 649 NH1 ARG A 43 -9.678 -8.879 -1.479 1.00 0.00 N ATOM 650 NH2 ARG A 43 -9.889 -8.784 0.767 1.00 0.00 N ATOM 0 H ARG A 43 -7.270 -4.059 -3.489 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.192 -4.596 -1.958 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.847 -6.360 -0.808 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.433 -4.721 -1.008 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.401 -5.515 -3.298 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.073 -7.147 -2.750 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.836 -5.095 -1.292 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.408 -6.518 -2.140 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.782 -6.536 0.416 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.460 -8.424 -2.366 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.949 -9.862 -1.463 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.837 -8.256 1.638 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.160 -9.767 0.782 1.00 0.00 H new ATOM 664 N GLU A 44 -5.739 -7.451 -3.404 1.00 0.00 N ATOM 665 CA GLU A 44 -5.102 -8.751 -3.695 1.00 0.00 C ATOM 666 C GLU A 44 -3.674 -8.568 -4.209 1.00 0.00 C ATOM 667 O GLU A 44 -2.760 -9.242 -3.776 1.00 0.00 O ATOM 668 CB GLU A 44 -6.012 -9.325 -4.762 1.00 0.00 C ATOM 669 CG GLU A 44 -5.448 -10.651 -5.272 1.00 0.00 C ATOM 670 CD GLU A 44 -6.376 -11.793 -4.856 1.00 0.00 C ATOM 671 OE1 GLU A 44 -6.378 -12.131 -3.684 1.00 0.00 O ATOM 672 OE2 GLU A 44 -7.069 -12.308 -5.717 1.00 0.00 O ATOM 0 H GLU A 44 -6.667 -7.328 -3.810 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.001 -9.395 -2.821 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.012 -9.478 -4.355 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.108 -8.620 -5.587 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.351 -10.624 -6.357 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.449 -10.814 -4.867 1.00 0.00 H new ATOM 679 N GLN A 45 -3.475 -7.670 -5.125 1.00 0.00 N ATOM 680 CA GLN A 45 -2.102 -7.454 -5.665 1.00 0.00 C ATOM 681 C GLN A 45 -1.140 -7.018 -4.563 1.00 0.00 C ATOM 682 O GLN A 45 0.043 -7.264 -4.642 1.00 0.00 O ATOM 683 CB GLN A 45 -2.247 -6.363 -6.726 1.00 0.00 C ATOM 684 CG GLN A 45 -2.917 -6.949 -7.969 1.00 0.00 C ATOM 685 CD GLN A 45 -1.923 -7.842 -8.713 1.00 0.00 C ATOM 686 OE1 GLN A 45 -1.896 -9.040 -8.513 1.00 0.00 O ATOM 687 NE2 GLN A 45 -1.099 -7.305 -9.571 1.00 0.00 N ATOM 0 H GLN A 45 -4.200 -7.074 -5.526 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.688 -8.371 -6.084 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.841 -5.537 -6.335 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.268 -5.958 -6.984 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.797 -7.526 -7.683 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.261 -6.147 -8.622 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.122 -6.299 -9.739 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.432 -7.891 -10.074 1.00 0.00 H new ATOM 696 N TRP A 46 -1.624 -6.376 -3.539 1.00 0.00 N ATOM 697 CA TRP A 46 -0.721 -5.949 -2.450 1.00 0.00 C ATOM 698 C TRP A 46 0.272 -7.063 -2.127 1.00 0.00 C ATOM 699 O TRP A 46 1.424 -6.824 -1.825 1.00 0.00 O ATOM 700 CB TRP A 46 -1.638 -5.736 -1.249 1.00 0.00 C ATOM 701 CG TRP A 46 -2.526 -4.554 -1.461 1.00 0.00 C ATOM 702 CD1 TRP A 46 -2.680 -3.871 -2.623 1.00 0.00 C ATOM 703 CD2 TRP A 46 -3.401 -3.914 -0.492 1.00 0.00 C ATOM 704 NE1 TRP A 46 -3.587 -2.846 -2.417 1.00 0.00 N ATOM 705 CE2 TRP A 46 -4.060 -2.835 -1.118 1.00 0.00 C ATOM 706 CE3 TRP A 46 -3.681 -4.167 0.862 1.00 0.00 C ATOM 707 CZ2 TRP A 46 -4.966 -2.034 -0.424 1.00 0.00 C ATOM 708 CZ3 TRP A 46 -4.594 -3.361 1.562 1.00 0.00 C ATOM 709 CH2 TRP A 46 -5.236 -2.297 0.917 1.00 0.00 C ATOM 0 H TRP A 46 -2.606 -6.131 -3.414 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.152 -5.058 -2.715 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.244 -6.627 -1.086 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.039 -5.590 -0.350 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.178 -4.091 -3.554 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -3.872 -2.180 -3.136 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.191 -4.986 1.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.457 -1.212 -0.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.802 -3.563 2.602 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.939 -1.681 1.458 1.00 0.00 H new ATOM 720 N ALA A 47 -0.185 -8.277 -2.178 1.00 0.00 N ATOM 721 CA ALA A 47 0.690 -9.438 -1.867 1.00 0.00 C ATOM 722 C ALA A 47 1.654 -9.717 -3.020 1.00 0.00 C ATOM 723 O ALA A 47 2.637 -10.416 -2.871 1.00 0.00 O ATOM 724 CB ALA A 47 -0.294 -10.582 -1.723 1.00 0.00 C ATOM 0 H ALA A 47 -1.144 -8.520 -2.426 1.00 0.00 H new ATOM 0 HA ALA A 47 1.308 -9.279 -0.983 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.246 -11.500 -1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.995 -10.360 -0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.842 -10.710 -2.656 1.00 0.00 H new ATOM 730 N GLN A 48 1.381 -9.169 -4.165 1.00 0.00 N ATOM 731 CA GLN A 48 2.273 -9.386 -5.332 1.00 0.00 C ATOM 732 C GLN A 48 2.645 -8.033 -5.922 1.00 0.00 C ATOM 733 O GLN A 48 3.125 -7.930 -7.033 1.00 0.00 O ATOM 734 CB GLN A 48 1.441 -10.199 -6.323 1.00 0.00 C ATOM 735 CG GLN A 48 1.254 -11.617 -5.786 1.00 0.00 C ATOM 736 CD GLN A 48 1.016 -12.578 -6.954 1.00 0.00 C ATOM 737 OE1 GLN A 48 1.647 -13.613 -7.042 1.00 0.00 O ATOM 738 NE2 GLN A 48 0.126 -12.278 -7.861 1.00 0.00 N ATOM 0 H GLN A 48 0.572 -8.575 -4.345 1.00 0.00 H new ATOM 0 HA GLN A 48 3.198 -9.902 -5.075 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.471 -9.725 -6.475 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.937 -10.228 -7.293 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.136 -11.923 -5.223 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.409 -11.648 -5.098 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.404 -11.410 -7.788 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.039 -12.912 -8.643 1.00 0.00 H new ATOM 747 N HIS A 49 2.405 -6.992 -5.179 1.00 0.00 N ATOM 748 CA HIS A 49 2.714 -5.629 -5.668 1.00 0.00 C ATOM 749 C HIS A 49 3.988 -5.110 -5.004 1.00 0.00 C ATOM 750 O HIS A 49 3.938 -4.300 -4.103 1.00 0.00 O ATOM 751 CB HIS A 49 1.501 -4.812 -5.239 1.00 0.00 C ATOM 752 CG HIS A 49 1.463 -3.523 -6.014 1.00 0.00 C ATOM 753 ND1 HIS A 49 0.736 -3.388 -7.186 1.00 0.00 N ATOM 754 CD2 HIS A 49 2.062 -2.305 -5.801 1.00 0.00 C ATOM 755 CE1 HIS A 49 0.914 -2.131 -7.631 1.00 0.00 C ATOM 756 NE2 HIS A 49 1.713 -1.428 -6.824 1.00 0.00 N ATOM 0 H HIS A 49 2.003 -7.031 -4.242 1.00 0.00 H new ATOM 0 HA HIS A 49 2.889 -5.583 -6.743 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.587 -5.380 -5.413 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.549 -4.604 -4.170 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.705 -2.065 -4.967 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.465 -1.738 -8.531 1.00 0.00 H new ATOM 0 HE2 HIS A 49 2.005 -0.457 -6.934 1.00 0.00 H new ATOM 764 N ILE A 50 5.128 -5.577 -5.445 1.00 0.00 N ATOM 765 CA ILE A 50 6.413 -5.137 -4.839 1.00 0.00 C ATOM 766 C ILE A 50 6.502 -3.614 -4.803 1.00 0.00 C ATOM 767 O ILE A 50 6.299 -2.930 -5.786 1.00 0.00 O ATOM 768 CB ILE A 50 7.495 -5.714 -5.746 1.00 0.00 C ATOM 769 CG1 ILE A 50 7.584 -7.229 -5.533 1.00 0.00 C ATOM 770 CG2 ILE A 50 8.837 -5.064 -5.412 1.00 0.00 C ATOM 771 CD1 ILE A 50 8.101 -7.526 -4.122 1.00 0.00 C ATOM 0 H ILE A 50 5.220 -6.250 -6.206 1.00 0.00 H new ATOM 0 HA ILE A 50 6.514 -5.478 -3.809 1.00 0.00 H new ATOM 0 HB ILE A 50 7.247 -5.512 -6.788 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.603 -7.683 -5.674 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.250 -7.671 -6.274 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.612 -5.475 -6.059 1.00 0.00 H new ATOM 0 HG22 ILE A 50 8.768 -3.987 -5.567 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.090 -5.265 -4.371 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.162 -8.605 -3.976 1.00 0.00 H new ATOM 0 HD12 ILE A 50 9.091 -7.086 -3.997 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.419 -7.099 -3.387 1.00 0.00 H new ATOM 783 N VAL A 51 6.794 -3.099 -3.649 1.00 0.00 N ATOM 784 CA VAL A 51 6.898 -1.627 -3.456 1.00 0.00 C ATOM 785 C VAL A 51 8.348 -1.172 -3.663 1.00 0.00 C ATOM 786 O VAL A 51 9.278 -1.901 -3.381 1.00 0.00 O ATOM 787 CB VAL A 51 6.452 -1.433 -2.013 1.00 0.00 C ATOM 788 CG1 VAL A 51 6.309 0.051 -1.719 1.00 0.00 C ATOM 789 CG2 VAL A 51 5.098 -2.125 -1.809 1.00 0.00 C ATOM 0 H VAL A 51 6.970 -3.648 -2.808 1.00 0.00 H new ATOM 0 HA VAL A 51 6.299 -1.046 -4.158 1.00 0.00 H new ATOM 0 HB VAL A 51 7.193 -1.864 -1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.990 0.188 -0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.268 0.546 -1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.566 0.485 -2.389 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.772 -1.990 -0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.361 -1.688 -2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.198 -3.189 -2.022 1.00 0.00 H new ATOM 799 N GLN A 52 8.552 0.010 -4.182 1.00 0.00 N ATOM 800 CA GLN A 52 9.951 0.473 -4.433 1.00 0.00 C ATOM 801 C GLN A 52 10.346 1.666 -3.571 1.00 0.00 C ATOM 802 O GLN A 52 9.529 2.477 -3.181 1.00 0.00 O ATOM 803 CB GLN A 52 9.958 0.935 -5.878 1.00 0.00 C ATOM 804 CG GLN A 52 9.788 -0.268 -6.808 1.00 0.00 C ATOM 805 CD GLN A 52 11.106 -0.552 -7.533 1.00 0.00 C ATOM 806 OE1 GLN A 52 11.716 0.345 -8.079 1.00 0.00 O ATOM 807 NE2 GLN A 52 11.574 -1.771 -7.561 1.00 0.00 N ATOM 0 H GLN A 52 7.819 0.670 -4.441 1.00 0.00 H new ATOM 0 HA GLN A 52 10.648 -0.334 -4.206 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.153 1.651 -6.044 1.00 0.00 H new ATOM 0 HB3 GLN A 52 10.893 1.449 -6.100 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.482 -1.143 -6.234 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.999 -0.070 -7.533 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.062 -2.525 -7.102 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.452 -1.969 -8.041 1.00 0.00 H new ATOM 816 N ASP A 53 11.619 1.796 -3.327 1.00 0.00 N ATOM 817 CA ASP A 53 12.124 2.955 -2.553 1.00 0.00 C ATOM 818 C ASP A 53 11.591 4.230 -3.172 1.00 0.00 C ATOM 819 O ASP A 53 11.896 4.590 -4.291 1.00 0.00 O ATOM 820 CB ASP A 53 13.634 2.887 -2.678 1.00 0.00 C ATOM 821 CG ASP A 53 14.248 4.244 -2.324 1.00 0.00 C ATOM 822 OD1 ASP A 53 13.585 5.015 -1.649 1.00 0.00 O ATOM 823 OD2 ASP A 53 15.370 4.488 -2.735 1.00 0.00 O ATOM 0 H ASP A 53 12.336 1.140 -3.636 1.00 0.00 H new ATOM 0 HA ASP A 53 11.812 2.939 -1.509 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.028 2.116 -2.016 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.911 2.607 -3.694 1.00 0.00 H new ATOM 828 N GLY A 54 10.753 4.869 -2.451 1.00 0.00 N ATOM 829 CA GLY A 54 10.098 6.107 -2.943 1.00 0.00 C ATOM 830 C GLY A 54 8.639 5.749 -3.200 1.00 0.00 C ATOM 831 O GLY A 54 7.883 6.499 -3.784 1.00 0.00 O ATOM 0 H GLY A 54 10.476 4.588 -1.510 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.178 6.907 -2.207 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.577 6.464 -3.855 1.00 0.00 H new ATOM 835 N ASP A 55 8.260 4.571 -2.777 1.00 0.00 N ATOM 836 CA ASP A 55 6.868 4.087 -2.986 1.00 0.00 C ATOM 837 C ASP A 55 5.822 5.154 -2.639 1.00 0.00 C ATOM 838 O ASP A 55 5.973 5.934 -1.729 1.00 0.00 O ATOM 839 CB ASP A 55 6.737 2.900 -2.035 1.00 0.00 C ATOM 840 CG ASP A 55 5.255 2.615 -1.760 1.00 0.00 C ATOM 841 OD1 ASP A 55 4.492 2.581 -2.712 1.00 0.00 O ATOM 842 OD2 ASP A 55 4.911 2.441 -0.603 1.00 0.00 O ATOM 0 H ASP A 55 8.869 3.915 -2.288 1.00 0.00 H new ATOM 0 HA ASP A 55 6.691 3.830 -4.030 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.211 2.020 -2.470 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.255 3.113 -1.100 1.00 0.00 H new ATOM 847 N GLN A 56 4.736 5.157 -3.342 1.00 0.00 N ATOM 848 CA GLN A 56 3.650 6.125 -3.036 1.00 0.00 C ATOM 849 C GLN A 56 2.374 5.340 -2.772 1.00 0.00 C ATOM 850 O GLN A 56 2.152 4.315 -3.368 1.00 0.00 O ATOM 851 CB GLN A 56 3.530 6.987 -4.288 1.00 0.00 C ATOM 852 CG GLN A 56 2.208 7.749 -4.259 1.00 0.00 C ATOM 853 CD GLN A 56 2.477 9.235 -4.499 1.00 0.00 C ATOM 854 OE1 GLN A 56 2.103 9.773 -5.522 1.00 0.00 O ATOM 855 NE2 GLN A 56 3.117 9.925 -3.597 1.00 0.00 N ATOM 0 H GLN A 56 4.548 4.528 -4.122 1.00 0.00 H new ATOM 0 HA GLN A 56 3.842 6.743 -2.159 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.364 7.687 -4.341 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.581 6.361 -5.179 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.535 7.361 -5.023 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.714 7.607 -3.298 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.431 9.474 -2.738 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.303 10.916 -3.750 1.00 0.00 H new ATOM 864 N ILE A 57 1.549 5.771 -1.865 1.00 0.00 N ATOM 865 CA ILE A 57 0.319 4.983 -1.588 1.00 0.00 C ATOM 866 C ILE A 57 -0.896 5.871 -1.328 1.00 0.00 C ATOM 867 O ILE A 57 -0.806 6.931 -0.741 1.00 0.00 O ATOM 868 CB ILE A 57 0.642 4.181 -0.339 1.00 0.00 C ATOM 869 CG1 ILE A 57 1.636 3.076 -0.667 1.00 0.00 C ATOM 870 CG2 ILE A 57 -0.638 3.557 0.215 1.00 0.00 C ATOM 871 CD1 ILE A 57 2.085 2.438 0.643 1.00 0.00 C ATOM 0 H ILE A 57 1.668 6.619 -1.311 1.00 0.00 H new ATOM 0 HA ILE A 57 0.059 4.362 -2.446 1.00 0.00 H new ATOM 0 HB ILE A 57 1.079 4.848 0.404 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.176 2.330 -1.315 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.492 3.482 -1.206 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.404 2.982 1.111 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.348 4.345 0.465 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.076 2.898 -0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.799 1.642 0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.557 3.193 1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.220 2.023 1.161 1.00 0.00 H new ATOM 883 N LEU A 58 -2.038 5.394 -1.717 1.00 0.00 N ATOM 884 CA LEU A 58 -3.301 6.127 -1.467 1.00 0.00 C ATOM 885 C LEU A 58 -4.191 5.187 -0.663 1.00 0.00 C ATOM 886 O LEU A 58 -4.397 4.072 -1.061 1.00 0.00 O ATOM 887 CB LEU A 58 -3.893 6.399 -2.848 1.00 0.00 C ATOM 888 CG LEU A 58 -4.627 7.741 -2.840 1.00 0.00 C ATOM 889 CD1 LEU A 58 -5.852 7.648 -1.933 1.00 0.00 C ATOM 890 CD2 LEU A 58 -3.688 8.832 -2.319 1.00 0.00 C ATOM 0 H LEU A 58 -2.151 4.507 -2.208 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.182 7.062 -0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.102 6.411 -3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.581 5.599 -3.123 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.944 7.987 -3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.374 8.605 -1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.521 6.871 -2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.536 7.402 -0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.210 9.789 -2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.370 8.585 -1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.814 8.900 -2.967 1.00 0.00 H new ATOM 902 N LEU A 59 -4.685 5.571 0.477 1.00 0.00 N ATOM 903 CA LEU A 59 -5.507 4.589 1.243 1.00 0.00 C ATOM 904 C LEU A 59 -7.000 4.782 0.993 1.00 0.00 C ATOM 905 O LEU A 59 -7.507 5.885 0.961 1.00 0.00 O ATOM 906 CB LEU A 59 -5.181 4.814 2.718 1.00 0.00 C ATOM 907 CG LEU A 59 -6.073 3.905 3.575 1.00 0.00 C ATOM 908 CD1 LEU A 59 -5.880 2.438 3.172 1.00 0.00 C ATOM 909 CD2 LEU A 59 -5.704 4.071 5.049 1.00 0.00 C ATOM 0 H LEU A 59 -4.564 6.489 0.904 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.273 3.572 0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.130 4.596 2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.343 5.859 2.984 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.114 4.186 3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.518 1.805 3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.146 2.311 2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.838 2.154 3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.337 3.426 5.658 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.659 3.797 5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.852 5.109 5.346 1.00 0.00 H new ATOM 921 N PHE A 60 -7.705 3.694 0.835 1.00 0.00 N ATOM 922 CA PHE A 60 -9.171 3.766 0.604 1.00 0.00 C ATOM 923 C PHE A 60 -9.884 3.024 1.727 1.00 0.00 C ATOM 924 O PHE A 60 -9.350 2.090 2.303 1.00 0.00 O ATOM 925 CB PHE A 60 -9.416 3.075 -0.736 1.00 0.00 C ATOM 926 CG PHE A 60 -8.758 3.869 -1.835 1.00 0.00 C ATOM 927 CD1 PHE A 60 -9.146 5.194 -2.071 1.00 0.00 C ATOM 928 CD2 PHE A 60 -7.760 3.283 -2.618 1.00 0.00 C ATOM 929 CE1 PHE A 60 -8.531 5.930 -3.091 1.00 0.00 C ATOM 930 CE2 PHE A 60 -7.148 4.015 -3.634 1.00 0.00 C ATOM 931 CZ PHE A 60 -7.531 5.339 -3.873 1.00 0.00 C ATOM 0 H PHE A 60 -7.320 2.750 0.857 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.542 4.791 0.588 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.015 2.062 -0.714 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.486 2.990 -0.924 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -9.918 5.647 -1.467 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.462 2.261 -2.436 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.827 6.952 -3.274 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -6.377 3.559 -4.238 1.00 0.00 H new ATOM 0 HZ PHE A 60 -7.056 5.905 -4.660 1.00 0.00 H new ATOM 941 N GLN A 61 -11.076 3.436 2.046 1.00 0.00 N ATOM 942 CA GLN A 61 -11.820 2.779 3.153 1.00 0.00 C ATOM 943 C GLN A 61 -12.624 1.588 2.634 1.00 0.00 C ATOM 944 O GLN A 61 -12.849 1.444 1.450 1.00 0.00 O ATOM 945 CB GLN A 61 -12.765 3.866 3.667 1.00 0.00 C ATOM 946 CG GLN A 61 -12.881 3.778 5.189 1.00 0.00 C ATOM 947 CD GLN A 61 -14.318 4.089 5.608 1.00 0.00 C ATOM 948 OE1 GLN A 61 -15.258 3.678 4.956 1.00 0.00 O ATOM 949 NE2 GLN A 61 -14.530 4.806 6.678 1.00 0.00 N ATOM 0 H GLN A 61 -11.569 4.202 1.587 1.00 0.00 H new ATOM 0 HA GLN A 61 -11.155 2.394 3.926 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -12.394 4.849 3.378 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -13.748 3.750 3.211 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -12.599 2.782 5.529 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -12.193 4.482 5.658 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -13.741 5.151 7.225 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -15.484 5.021 6.967 1.00 0.00 H new ATOM 958 N VAL A 62 -13.043 0.734 3.533 1.00 0.00 N ATOM 959 CA VAL A 62 -13.835 -0.475 3.155 1.00 0.00 C ATOM 960 C VAL A 62 -14.674 -0.230 1.900 1.00 0.00 C ATOM 961 O VAL A 62 -15.093 0.877 1.629 1.00 0.00 O ATOM 962 CB VAL A 62 -14.745 -0.721 4.352 1.00 0.00 C ATOM 963 CG1 VAL A 62 -15.769 0.412 4.450 1.00 0.00 C ATOM 964 CG2 VAL A 62 -15.466 -2.056 4.169 1.00 0.00 C ATOM 0 H VAL A 62 -12.866 0.826 4.533 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.189 -1.323 2.926 1.00 0.00 H new ATOM 0 HB VAL A 62 -14.154 -0.752 5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -16.422 0.239 5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -15.250 1.362 4.576 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -16.366 0.443 3.538 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -16.119 -2.237 5.023 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -16.062 -2.026 3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -14.732 -2.859 4.096 1.00 0.00 H new ATOM 974 N ILE A 63 -14.946 -1.259 1.144 1.00 0.00 N ATOM 975 CA ILE A 63 -15.782 -1.073 -0.072 1.00 0.00 C ATOM 976 C ILE A 63 -17.074 -1.862 0.108 1.00 0.00 C ATOM 977 O ILE A 63 -17.146 -3.041 -0.182 1.00 0.00 O ATOM 978 CB ILE A 63 -14.963 -1.645 -1.235 1.00 0.00 C ATOM 979 CG1 ILE A 63 -13.481 -1.281 -1.072 1.00 0.00 C ATOM 980 CG2 ILE A 63 -15.478 -1.061 -2.553 1.00 0.00 C ATOM 981 CD1 ILE A 63 -12.658 -2.566 -0.948 1.00 0.00 C ATOM 0 H ILE A 63 -14.627 -2.213 1.315 1.00 0.00 H new ATOM 0 HA ILE A 63 -16.038 -0.029 -0.254 1.00 0.00 H new ATOM 0 HB ILE A 63 -15.067 -2.730 -1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.141 -0.698 -1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.342 -0.659 -0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -14.897 -1.466 -3.382 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -16.528 -1.325 -2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -15.376 0.024 -2.535 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -11.604 -2.313 -0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -12.994 -3.131 -0.078 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -12.789 -3.170 -1.846 1.00 0.00 H new ATOM 993 N ALA A 64 -18.088 -1.219 0.596 1.00 0.00 N ATOM 994 CA ALA A 64 -19.380 -1.915 0.816 1.00 0.00 C ATOM 995 C ALA A 64 -20.509 -1.167 0.106 1.00 0.00 C ATOM 996 O ALA A 64 -20.365 -0.017 -0.260 1.00 0.00 O ATOM 997 CB ALA A 64 -19.563 -1.883 2.330 1.00 0.00 C ATOM 0 H ALA A 64 -18.079 -0.232 0.855 1.00 0.00 H new ATOM 0 HA ALA A 64 -19.393 -2.931 0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.498 -2.377 2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.731 -2.400 2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.591 -0.848 2.671 1.00 0.00 H new ATOM 1003 N GLY A 65 -21.635 -1.797 -0.081 1.00 0.00 N ATOM 1004 CA GLY A 65 -22.766 -1.099 -0.751 1.00 0.00 C ATOM 1005 C GLY A 65 -23.059 0.201 0.001 1.00 0.00 C ATOM 1006 O GLY A 65 -22.459 0.485 1.020 1.00 0.00 O ATOM 0 H GLY A 65 -21.820 -2.760 0.200 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -22.515 -0.885 -1.790 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -23.650 -1.737 -0.761 1.00 0.00 H new ATOM 1010 N GLY A 66 -23.972 0.993 -0.489 1.00 0.00 N ATOM 1011 CA GLY A 66 -24.299 2.274 0.203 1.00 0.00 C ATOM 1012 C GLY A 66 -25.552 2.091 1.062 1.00 0.00 C ATOM 1013 O GLY A 66 -25.618 2.702 2.117 1.00 0.00 O ATOM 1014 OXT GLY A 66 -26.425 1.345 0.650 1.00 0.00 O ATOM 0 H GLY A 66 -24.506 0.810 -1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -23.461 2.586 0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -24.461 3.064 -0.531 1.00 0.00 H new TER 1018 GLY A 66