USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=9 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 Single : A 1 MET CE :methyl -170:sc= -15.2! (180deg=-15.3!) USER MOD Single : A 1 MET N :NH3+ -153:sc= 1.06 (180deg=0.814) USER MOD Single : A 2 GLN : amide:sc= -0.456 X(o=-0.46,f=0) USER MOD Single : A 6 ASN : amide:sc= -0.0878 K(o=-0.088,f=-1.2!) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 MET CE :methyl -153:sc= -7.08! (180deg=-8.44!) USER MOD Single : A 11 GLN : amide:sc= -0.286 K(o=-0.29,f=-2.8!) USER MOD Single : A 12 CYS SG : rot 82:sc= -11.9! USER MOD Single : A 16 GLN :FLIP amide:sc= -7! C(o=-8.7!,f=-7!) USER MOD Single : A 17 THR OG1 : rot -150:sc= 0.132 USER MOD Single : A 19 HIS : no HD1:sc= -0.0696 X(o=-0.07,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.584 X(o=-0.58,f=-0.6) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 29 GLN : amide:sc= -0.68 K(o=-0.68,f=-2.3) USER MOD Single : A 37 ASN : amide:sc= -0.664 K(o=-0.66,f=-3.5!) USER MOD Single : A 38 GLN : amide:sc= -5.14! C(o=-5.1!,f=-4.8!) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.0635 F(o=-0.93,f=-0.064) USER MOD Single : A 45 GLN : amide:sc= -2.17 X(o=-2.2,f=-2.1) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.0885 F(o=-0.74,f=-0.088) USER MOD Single : A 49 HIS : no HE2:sc= -8.7! C(o=-8.7!,f=-8.7!) USER MOD Single : A 52 GLN : amide:sc= -4.08! C(o=-4.1!,f=-4.1!) USER MOD Single : A 56 GLN : amide:sc= -0.585 K(o=-0.58,f=-3.9!) USER MOD Single : A 61 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.565 1.190 3.239 1.00 0.00 N ATOM 2 CA MET A 1 12.991 1.911 2.067 1.00 0.00 C ATOM 3 C MET A 1 12.142 3.085 2.543 1.00 0.00 C ATOM 4 O MET A 1 12.022 3.345 3.723 1.00 0.00 O ATOM 5 CB MET A 1 12.120 0.873 1.348 1.00 0.00 C ATOM 6 CG MET A 1 10.661 0.998 1.803 1.00 0.00 C ATOM 7 SD MET A 1 9.672 -0.365 1.144 1.00 0.00 S ATOM 8 CE MET A 1 9.730 0.161 -0.575 1.00 0.00 C ATOM 0 H1 MET A 1 14.452 0.724 2.960 1.00 0.00 H new ATOM 0 H2 MET A 1 13.756 1.868 4.004 1.00 0.00 H new ATOM 0 H3 MET A 1 12.888 0.474 3.572 1.00 0.00 H new ATOM 0 HA MET A 1 13.761 2.318 1.411 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.186 1.017 0.270 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.489 -0.131 1.559 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.612 0.997 2.892 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.249 1.950 1.466 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.033 -0.437 -1.162 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.453 1.213 -0.643 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.740 0.026 -0.963 1.00 0.00 H new ATOM 20 N GLN A 2 11.527 3.772 1.631 1.00 0.00 N ATOM 21 CA GLN A 2 10.659 4.905 2.025 1.00 0.00 C ATOM 22 C GLN A 2 9.519 5.026 1.055 1.00 0.00 C ATOM 23 O GLN A 2 9.604 4.622 -0.083 1.00 0.00 O ATOM 24 CB GLN A 2 11.541 6.129 1.974 1.00 0.00 C ATOM 25 CG GLN A 2 10.686 7.393 2.083 1.00 0.00 C ATOM 26 CD GLN A 2 11.430 8.569 1.442 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.816 9.486 0.933 1.00 0.00 O ATOM 28 NE2 GLN A 2 12.736 8.576 1.434 1.00 0.00 N ATOM 0 H GLN A 2 11.588 3.598 0.628 1.00 0.00 H new ATOM 0 HA GLN A 2 10.227 4.773 3.017 1.00 0.00 H new ATOM 0 HB2 GLN A 2 12.266 6.099 2.787 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.107 6.142 1.042 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.728 7.241 1.586 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.472 7.611 3.129 1.00 0.00 H new ATOM 0 HE21 GLN A 2 13.253 7.807 1.861 1.00 0.00 H new ATOM 0 HE22 GLN A 2 13.239 9.350 1.001 1.00 0.00 H new ATOM 37 N ILE A 3 8.415 5.501 1.514 1.00 0.00 N ATOM 38 CA ILE A 3 7.255 5.553 0.630 1.00 0.00 C ATOM 39 C ILE A 3 6.356 6.734 0.941 1.00 0.00 C ATOM 40 O ILE A 3 6.520 7.430 1.921 1.00 0.00 O ATOM 41 CB ILE A 3 6.523 4.246 0.946 1.00 0.00 C ATOM 42 CG1 ILE A 3 5.511 4.474 2.094 1.00 0.00 C ATOM 43 CG2 ILE A 3 7.538 3.170 1.366 1.00 0.00 C ATOM 44 CD1 ILE A 3 5.456 3.264 3.040 1.00 0.00 C ATOM 0 H ILE A 3 8.269 5.853 2.460 1.00 0.00 H new ATOM 0 HA ILE A 3 7.539 5.667 -0.416 1.00 0.00 H new ATOM 0 HB ILE A 3 5.990 3.914 0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.790 5.365 2.656 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.521 4.658 1.677 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.012 2.242 1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.245 3.000 0.554 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.077 3.505 2.252 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.736 3.456 3.835 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.152 2.379 2.481 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.441 3.097 3.475 1.00 0.00 H new ATOM 56 N LEU A 4 5.350 6.895 0.154 1.00 0.00 N ATOM 57 CA LEU A 4 4.376 7.945 0.443 1.00 0.00 C ATOM 58 C LEU A 4 3.013 7.285 0.556 1.00 0.00 C ATOM 59 O LEU A 4 2.442 6.843 -0.420 1.00 0.00 O ATOM 60 CB LEU A 4 4.408 8.915 -0.736 1.00 0.00 C ATOM 61 CG LEU A 4 3.452 10.072 -0.434 1.00 0.00 C ATOM 62 CD1 LEU A 4 2.029 9.591 -0.676 1.00 0.00 C ATOM 63 CD2 LEU A 4 3.609 10.481 1.028 1.00 0.00 C ATOM 0 H LEU A 4 5.163 6.340 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 4 4.593 8.480 1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.420 9.289 -0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.111 8.407 -1.654 1.00 0.00 H new ATOM 0 HG LEU A 4 3.673 10.927 -1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.331 10.401 -0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.922 9.279 -1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.814 8.747 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.931 11.305 1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.372 9.633 1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.636 10.798 1.209 1.00 0.00 H new ATOM 75 N PHE A 5 2.489 7.210 1.735 1.00 0.00 N ATOM 76 CA PHE A 5 1.163 6.577 1.903 1.00 0.00 C ATOM 77 C PHE A 5 0.136 7.679 2.162 1.00 0.00 C ATOM 78 O PHE A 5 0.075 8.244 3.235 1.00 0.00 O ATOM 79 CB PHE A 5 1.323 5.668 3.118 1.00 0.00 C ATOM 80 CG PHE A 5 0.004 5.025 3.466 1.00 0.00 C ATOM 81 CD1 PHE A 5 -0.554 4.062 2.618 1.00 0.00 C ATOM 82 CD2 PHE A 5 -0.656 5.388 4.645 1.00 0.00 C ATOM 83 CE1 PHE A 5 -1.776 3.462 2.950 1.00 0.00 C ATOM 84 CE2 PHE A 5 -1.875 4.788 4.977 1.00 0.00 C ATOM 85 CZ PHE A 5 -2.435 3.826 4.129 1.00 0.00 C ATOM 0 H PHE A 5 2.920 7.559 2.591 1.00 0.00 H new ATOM 0 HA PHE A 5 0.827 6.012 1.033 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.067 4.899 2.910 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.690 6.245 3.967 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.043 3.781 1.709 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.224 6.131 5.299 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.209 2.719 2.296 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.384 5.067 5.888 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.377 3.364 4.385 1.00 0.00 H new ATOM 95 N ASN A 6 -0.651 8.014 1.183 1.00 0.00 N ATOM 96 CA ASN A 6 -1.646 9.100 1.381 1.00 0.00 C ATOM 97 C ASN A 6 -0.930 10.399 1.734 1.00 0.00 C ATOM 98 O ASN A 6 -1.157 11.016 2.754 1.00 0.00 O ATOM 99 CB ASN A 6 -2.568 8.620 2.504 1.00 0.00 C ATOM 100 CG ASN A 6 -3.888 9.391 2.461 1.00 0.00 C ATOM 101 OD1 ASN A 6 -4.419 9.656 1.399 1.00 0.00 O ATOM 102 ND2 ASN A 6 -4.452 9.762 3.581 1.00 0.00 N ATOM 0 H ASN A 6 -0.649 7.585 0.257 1.00 0.00 H new ATOM 0 HA ASN A 6 -2.226 9.308 0.482 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.757 7.552 2.399 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.084 8.764 3.470 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -5.335 10.272 3.563 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.009 9.541 4.473 1.00 0.00 H new ATOM 109 N ASP A 7 -0.061 10.793 0.859 1.00 0.00 N ATOM 110 CA ASP A 7 0.731 12.046 1.033 1.00 0.00 C ATOM 111 C ASP A 7 1.516 12.015 2.345 1.00 0.00 C ATOM 112 O ASP A 7 1.983 13.030 2.825 1.00 0.00 O ATOM 113 CB ASP A 7 -0.261 13.203 1.016 1.00 0.00 C ATOM 114 CG ASP A 7 -1.464 12.865 0.129 1.00 0.00 C ATOM 115 OD1 ASP A 7 -1.329 12.965 -1.080 1.00 0.00 O ATOM 116 OD2 ASP A 7 -2.496 12.510 0.674 1.00 0.00 O ATOM 0 H ASP A 7 0.145 10.285 -0.001 1.00 0.00 H new ATOM 0 HA ASP A 7 1.463 12.156 0.233 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.598 13.416 2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.229 14.104 0.647 1.00 0.00 H new ATOM 121 N GLN A 8 1.711 10.852 2.899 1.00 0.00 N ATOM 122 CA GLN A 8 2.523 10.751 4.151 1.00 0.00 C ATOM 123 C GLN A 8 3.771 9.933 3.866 1.00 0.00 C ATOM 124 O GLN A 8 3.699 8.786 3.481 1.00 0.00 O ATOM 125 CB GLN A 8 1.646 10.036 5.168 1.00 0.00 C ATOM 126 CG GLN A 8 0.312 10.763 5.266 1.00 0.00 C ATOM 127 CD GLN A 8 0.217 11.486 6.610 1.00 0.00 C ATOM 128 OE1 GLN A 8 -0.565 11.113 7.462 1.00 0.00 O ATOM 129 NE2 GLN A 8 0.983 12.518 6.839 1.00 0.00 N ATOM 0 H GLN A 8 1.347 9.968 2.544 1.00 0.00 H new ATOM 0 HA GLN A 8 2.832 11.728 4.521 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.489 9.000 4.868 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.137 10.016 6.141 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.216 11.479 4.449 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.509 10.053 5.165 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.640 12.833 6.126 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.924 13.009 7.731 1.00 0.00 H new ATOM 138 N ALA A 9 4.915 10.509 4.037 1.00 0.00 N ATOM 139 CA ALA A 9 6.155 9.744 3.751 1.00 0.00 C ATOM 140 C ALA A 9 6.343 8.632 4.782 1.00 0.00 C ATOM 141 O ALA A 9 5.901 8.731 5.911 1.00 0.00 O ATOM 142 CB ALA A 9 7.295 10.752 3.835 1.00 0.00 C ATOM 0 H ALA A 9 5.051 11.467 4.359 1.00 0.00 H new ATOM 0 HA ALA A 9 6.117 9.267 2.771 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.241 10.249 3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.139 11.540 3.099 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.322 11.188 4.833 1.00 0.00 H new ATOM 148 N MET A 10 6.982 7.565 4.390 1.00 0.00 N ATOM 149 CA MET A 10 7.190 6.419 5.334 1.00 0.00 C ATOM 150 C MET A 10 8.543 5.759 5.131 1.00 0.00 C ATOM 151 O MET A 10 9.272 6.060 4.210 1.00 0.00 O ATOM 152 CB MET A 10 6.169 5.381 4.910 1.00 0.00 C ATOM 153 CG MET A 10 5.709 4.539 6.097 1.00 0.00 C ATOM 154 SD MET A 10 4.344 5.364 6.946 1.00 0.00 S ATOM 155 CE MET A 10 3.056 4.821 5.804 1.00 0.00 C ATOM 0 H MET A 10 7.371 7.432 3.457 1.00 0.00 H new ATOM 0 HA MET A 10 7.112 6.769 6.363 1.00 0.00 H new ATOM 0 HB2 MET A 10 5.310 5.876 4.458 1.00 0.00 H new ATOM 0 HB3 MET A 10 6.601 4.733 4.147 1.00 0.00 H new ATOM 0 HG2 MET A 10 5.393 3.554 5.754 1.00 0.00 H new ATOM 0 HG3 MET A 10 6.538 4.385 6.788 1.00 0.00 H new ATOM 0 HE1 MET A 10 2.239 5.542 5.808 1.00 0.00 H new ATOM 0 HE2 MET A 10 3.469 4.746 4.798 1.00 0.00 H new ATOM 0 HE3 MET A 10 2.681 3.846 6.116 1.00 0.00 H new ATOM 165 N GLN A 11 8.820 4.784 5.944 1.00 0.00 N ATOM 166 CA GLN A 11 10.049 3.994 5.774 1.00 0.00 C ATOM 167 C GLN A 11 9.755 2.562 6.152 1.00 0.00 C ATOM 168 O GLN A 11 9.360 2.245 7.257 1.00 0.00 O ATOM 169 CB GLN A 11 11.147 4.562 6.661 1.00 0.00 C ATOM 170 CG GLN A 11 10.591 5.581 7.659 1.00 0.00 C ATOM 171 CD GLN A 11 11.462 5.584 8.915 1.00 0.00 C ATOM 172 OE1 GLN A 11 12.123 4.609 9.212 1.00 0.00 O ATOM 173 NE2 GLN A 11 11.484 6.643 9.674 1.00 0.00 N ATOM 0 H GLN A 11 8.233 4.502 6.729 1.00 0.00 H new ATOM 0 HA GLN A 11 10.386 4.035 4.738 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.636 3.751 7.201 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.908 5.036 6.041 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.575 6.575 7.211 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.562 5.331 7.917 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.929 7.461 9.424 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.057 6.654 10.518 1.00 0.00 H new ATOM 182 N CYS A 12 9.927 1.715 5.213 1.00 0.00 N ATOM 183 CA CYS A 12 9.649 0.269 5.429 1.00 0.00 C ATOM 184 C CYS A 12 10.644 -0.586 4.655 1.00 0.00 C ATOM 185 O CYS A 12 11.709 -0.137 4.280 1.00 0.00 O ATOM 186 CB CYS A 12 8.215 0.063 4.928 1.00 0.00 C ATOM 187 SG CYS A 12 7.973 0.961 3.380 1.00 0.00 S ATOM 0 H CYS A 12 10.256 1.952 4.277 1.00 0.00 H new ATOM 0 HA CYS A 12 9.751 -0.025 6.474 1.00 0.00 H new ATOM 0 HB2 CYS A 12 8.022 -0.999 4.777 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.505 0.413 5.677 1.00 0.00 H new ATOM 0 HG CYS A 12 8.435 0.254 2.392 1.00 0.00 H new ATOM 193 N ALA A 13 10.327 -1.829 4.462 1.00 0.00 N ATOM 194 CA ALA A 13 11.270 -2.735 3.767 1.00 0.00 C ATOM 195 C ALA A 13 11.202 -2.624 2.255 1.00 0.00 C ATOM 196 O ALA A 13 10.238 -3.005 1.630 1.00 0.00 O ATOM 197 CB ALA A 13 10.862 -4.143 4.194 1.00 0.00 C ATOM 0 H ALA A 13 9.450 -2.259 4.757 1.00 0.00 H new ATOM 0 HA ALA A 13 12.295 -2.479 4.034 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.518 -4.872 3.718 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.945 -4.233 5.277 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.831 -4.330 3.892 1.00 0.00 H new ATOM 203 N ALA A 14 12.240 -2.132 1.656 1.00 0.00 N ATOM 204 CA ALA A 14 12.254 -2.043 0.174 1.00 0.00 C ATOM 205 C ALA A 14 12.180 -3.455 -0.402 1.00 0.00 C ATOM 206 O ALA A 14 12.722 -4.390 0.152 1.00 0.00 O ATOM 207 CB ALA A 14 13.585 -1.404 -0.192 1.00 0.00 C ATOM 0 H ALA A 14 13.078 -1.788 2.124 1.00 0.00 H new ATOM 0 HA ALA A 14 11.417 -1.464 -0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 14 13.658 -1.310 -1.275 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.652 -0.416 0.263 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.401 -2.028 0.174 1.00 0.00 H new ATOM 213 N GLY A 15 11.514 -3.618 -1.499 1.00 0.00 N ATOM 214 CA GLY A 15 11.404 -4.966 -2.107 1.00 0.00 C ATOM 215 C GLY A 15 10.278 -5.741 -1.424 1.00 0.00 C ATOM 216 O GLY A 15 10.017 -6.886 -1.737 1.00 0.00 O ATOM 0 H GLY A 15 11.037 -2.873 -2.006 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.205 -4.880 -3.175 1.00 0.00 H new ATOM 0 HA3 GLY A 15 12.347 -5.503 -2.000 1.00 0.00 H new ATOM 220 N GLN A 16 9.605 -5.125 -0.493 1.00 0.00 N ATOM 221 CA GLN A 16 8.494 -5.823 0.205 1.00 0.00 C ATOM 222 C GLN A 16 7.152 -5.408 -0.430 1.00 0.00 C ATOM 223 O GLN A 16 6.826 -4.238 -0.478 1.00 0.00 O ATOM 224 CB GLN A 16 8.627 -5.363 1.665 1.00 0.00 C ATOM 225 CG GLN A 16 7.507 -4.386 2.050 1.00 0.00 C ATOM 226 CD GLN A 16 7.528 -4.150 3.562 1.00 0.00 C ATOM 227 OE1 GLN A 16 7.227 -2.968 4.026 1.00 0.00 O flip ATOM 228 NE2 GLN A 16 7.818 -5.048 4.327 1.00 0.00 N flip ATOM 0 H GLN A 16 9.778 -4.168 -0.186 1.00 0.00 H new ATOM 0 HA GLN A 16 8.532 -6.910 0.133 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.598 -6.230 2.325 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.595 -4.884 1.810 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.638 -3.441 1.523 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.540 -4.788 1.748 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.053 -5.972 3.964 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.826 -4.878 5.333 1.00 0.00 H new ATOM 237 N THR A 17 6.378 -6.342 -0.933 1.00 0.00 N ATOM 238 CA THR A 17 5.082 -5.959 -1.572 1.00 0.00 C ATOM 239 C THR A 17 4.243 -5.061 -0.681 1.00 0.00 C ATOM 240 O THR A 17 4.669 -4.564 0.338 1.00 0.00 O ATOM 241 CB THR A 17 4.268 -7.238 -1.775 1.00 0.00 C ATOM 242 OG1 THR A 17 3.722 -7.645 -0.526 1.00 0.00 O ATOM 243 CG2 THR A 17 5.117 -8.360 -2.340 1.00 0.00 C ATOM 0 H THR A 17 6.586 -7.341 -0.928 1.00 0.00 H new ATOM 0 HA THR A 17 5.311 -5.433 -2.499 1.00 0.00 H new ATOM 0 HB THR A 17 3.474 -7.025 -2.490 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.628 -8.620 -0.512 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.503 -9.251 -2.470 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.525 -8.057 -3.304 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.934 -8.579 -1.653 1.00 0.00 H new ATOM 251 N VAL A 18 3.021 -4.909 -1.084 1.00 0.00 N ATOM 252 CA VAL A 18 2.029 -4.119 -0.320 1.00 0.00 C ATOM 253 C VAL A 18 1.581 -4.959 0.835 1.00 0.00 C ATOM 254 O VAL A 18 1.680 -4.585 1.978 1.00 0.00 O ATOM 255 CB VAL A 18 0.901 -4.010 -1.268 1.00 0.00 C ATOM 256 CG1 VAL A 18 -0.231 -3.241 -0.626 1.00 0.00 C ATOM 257 CG2 VAL A 18 1.395 -3.351 -2.537 1.00 0.00 C ATOM 0 H VAL A 18 2.656 -5.316 -1.945 1.00 0.00 H new ATOM 0 HA VAL A 18 2.398 -3.160 0.043 1.00 0.00 H new ATOM 0 HB VAL A 18 0.515 -4.996 -1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.061 -3.162 -1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.563 -3.763 0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.114 -2.242 -0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.572 -3.264 -3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.780 -2.358 -2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.189 -3.955 -2.975 1.00 0.00 H new ATOM 267 N HIS A 19 1.165 -6.165 0.535 1.00 0.00 N ATOM 268 CA HIS A 19 0.808 -7.088 1.623 1.00 0.00 C ATOM 269 C HIS A 19 1.987 -7.031 2.573 1.00 0.00 C ATOM 270 O HIS A 19 1.875 -7.173 3.780 1.00 0.00 O ATOM 271 CB HIS A 19 0.745 -8.449 0.933 1.00 0.00 C ATOM 272 CG HIS A 19 0.207 -9.497 1.876 1.00 0.00 C ATOM 273 ND1 HIS A 19 -1.010 -10.128 1.662 1.00 0.00 N ATOM 274 CD2 HIS A 19 0.715 -10.049 3.028 1.00 0.00 C ATOM 275 CE1 HIS A 19 -1.192 -11.012 2.660 1.00 0.00 C ATOM 276 NE2 HIS A 19 -0.171 -11.004 3.521 1.00 0.00 N ATOM 0 H HIS A 19 1.062 -6.535 -0.410 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.118 -6.874 2.157 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.110 -8.386 0.050 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.739 -8.736 0.591 1.00 0.00 H new ATOM 0 HD2 HIS A 19 1.658 -9.783 3.482 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -2.058 -11.650 2.753 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.063 -11.575 4.360 1.00 0.00 H new ATOM 284 N GLU A 20 3.130 -6.750 1.991 1.00 0.00 N ATOM 285 CA GLU A 20 4.368 -6.613 2.801 1.00 0.00 C ATOM 286 C GLU A 20 4.464 -5.196 3.356 1.00 0.00 C ATOM 287 O GLU A 20 4.906 -4.983 4.467 1.00 0.00 O ATOM 288 CB GLU A 20 5.517 -6.919 1.849 1.00 0.00 C ATOM 289 CG GLU A 20 5.569 -8.425 1.596 1.00 0.00 C ATOM 290 CD GLU A 20 6.280 -9.105 2.766 1.00 0.00 C ATOM 291 OE1 GLU A 20 5.863 -8.886 3.893 1.00 0.00 O ATOM 292 OE2 GLU A 20 7.231 -9.828 2.518 1.00 0.00 O ATOM 0 H GLU A 20 3.252 -6.611 0.988 1.00 0.00 H new ATOM 0 HA GLU A 20 4.385 -7.288 3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.379 -6.384 0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.460 -6.577 2.275 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.560 -8.823 1.487 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.096 -8.632 0.664 1.00 0.00 H new ATOM 299 N LEU A 21 4.044 -4.218 2.600 1.00 0.00 N ATOM 300 CA LEU A 21 4.110 -2.830 3.117 1.00 0.00 C ATOM 301 C LEU A 21 2.987 -2.636 4.138 1.00 0.00 C ATOM 302 O LEU A 21 3.223 -2.327 5.285 1.00 0.00 O ATOM 303 CB LEU A 21 3.926 -1.936 1.889 1.00 0.00 C ATOM 304 CG LEU A 21 4.000 -0.469 2.309 1.00 0.00 C ATOM 305 CD1 LEU A 21 5.277 -0.228 3.105 1.00 0.00 C ATOM 306 CD2 LEU A 21 4.019 0.424 1.071 1.00 0.00 C ATOM 0 H LEU A 21 3.663 -4.322 1.659 1.00 0.00 H new ATOM 0 HA LEU A 21 5.047 -2.595 3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.697 -2.153 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.965 -2.142 1.417 1.00 0.00 H new ATOM 0 HG LEU A 21 3.129 -0.233 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.328 0.819 3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.276 -0.859 3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.142 -0.472 2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.072 1.469 1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.888 0.180 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.111 0.261 0.491 1.00 0.00 H new ATOM 318 N LEU A 22 1.767 -2.863 3.738 1.00 0.00 N ATOM 319 CA LEU A 22 0.628 -2.735 4.690 1.00 0.00 C ATOM 320 C LEU A 22 0.975 -3.419 6.000 1.00 0.00 C ATOM 321 O LEU A 22 0.926 -2.835 7.065 1.00 0.00 O ATOM 322 CB LEU A 22 -0.500 -3.516 4.029 1.00 0.00 C ATOM 323 CG LEU A 22 -1.232 -2.695 2.970 1.00 0.00 C ATOM 324 CD1 LEU A 22 -2.626 -2.414 3.497 1.00 0.00 C ATOM 325 CD2 LEU A 22 -0.518 -1.369 2.681 1.00 0.00 C ATOM 0 H LEU A 22 1.509 -3.133 2.789 1.00 0.00 H new ATOM 0 HA LEU A 22 0.378 -1.695 4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.094 -4.417 3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.210 -3.838 4.790 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.260 -3.256 2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.180 -1.827 2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.145 -3.356 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.556 -1.856 4.431 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.071 -0.816 1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.465 -0.778 3.595 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.491 -1.570 2.320 1.00 0.00 H new ATOM 337 N GLU A 23 1.327 -4.665 5.917 1.00 0.00 N ATOM 338 CA GLU A 23 1.688 -5.415 7.150 1.00 0.00 C ATOM 339 C GLU A 23 2.725 -4.607 7.934 1.00 0.00 C ATOM 340 O GLU A 23 2.610 -4.425 9.129 1.00 0.00 O ATOM 341 CB GLU A 23 2.290 -6.713 6.621 1.00 0.00 C ATOM 342 CG GLU A 23 2.532 -7.693 7.767 1.00 0.00 C ATOM 343 CD GLU A 23 3.803 -7.295 8.518 1.00 0.00 C ATOM 344 OE1 GLU A 23 4.865 -7.351 7.917 1.00 0.00 O ATOM 345 OE2 GLU A 23 3.695 -6.941 9.679 1.00 0.00 O ATOM 0 H GLU A 23 1.381 -5.200 5.050 1.00 0.00 H new ATOM 0 HA GLU A 23 0.849 -5.598 7.821 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.619 -7.160 5.887 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.229 -6.504 6.109 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.680 -7.692 8.447 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.629 -8.707 7.378 1.00 0.00 H new ATOM 352 N GLN A 24 3.722 -4.094 7.265 1.00 0.00 N ATOM 353 CA GLN A 24 4.740 -3.269 7.976 1.00 0.00 C ATOM 354 C GLN A 24 4.056 -2.047 8.583 1.00 0.00 C ATOM 355 O GLN A 24 4.303 -1.666 9.710 1.00 0.00 O ATOM 356 CB GLN A 24 5.718 -2.819 6.892 1.00 0.00 C ATOM 357 CG GLN A 24 6.940 -2.173 7.545 1.00 0.00 C ATOM 358 CD GLN A 24 7.976 -3.251 7.864 1.00 0.00 C ATOM 359 OE1 GLN A 24 8.943 -3.411 7.146 1.00 0.00 O ATOM 360 NE2 GLN A 24 7.810 -4.010 8.913 1.00 0.00 N ATOM 0 H GLN A 24 3.875 -4.209 6.263 1.00 0.00 H new ATOM 0 HA GLN A 24 5.237 -3.818 8.775 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.024 -3.672 6.287 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.233 -2.110 6.221 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.370 -1.426 6.878 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.646 -1.654 8.457 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.998 -3.876 9.516 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.492 -4.737 9.130 1.00 0.00 H new ATOM 369 N LEU A 25 3.198 -1.431 7.819 1.00 0.00 N ATOM 370 CA LEU A 25 2.474 -0.226 8.291 1.00 0.00 C ATOM 371 C LEU A 25 1.421 -0.637 9.329 1.00 0.00 C ATOM 372 O LEU A 25 0.986 0.172 10.122 1.00 0.00 O ATOM 373 CB LEU A 25 1.839 0.346 7.015 1.00 0.00 C ATOM 374 CG LEU A 25 2.905 1.106 6.198 1.00 0.00 C ATOM 375 CD1 LEU A 25 3.900 0.152 5.536 1.00 0.00 C ATOM 376 CD2 LEU A 25 2.231 1.924 5.094 1.00 0.00 C ATOM 0 H LEU A 25 2.966 -1.721 6.869 1.00 0.00 H new ATOM 0 HA LEU A 25 3.110 0.510 8.783 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.414 -0.460 6.416 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.020 1.016 7.274 1.00 0.00 H new ATOM 0 HG LEU A 25 3.440 1.753 6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.634 0.726 4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.409 -0.432 6.303 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.367 -0.519 4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.990 2.458 4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.680 1.257 4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.543 2.641 5.541 1.00 0.00 H new ATOM 388 N ASP A 26 1.031 -1.900 9.305 1.00 0.00 N ATOM 389 CA ASP A 26 0.010 -2.475 10.257 1.00 0.00 C ATOM 390 C ASP A 26 -1.357 -2.464 9.595 1.00 0.00 C ATOM 391 O ASP A 26 -2.383 -2.426 10.244 1.00 0.00 O ATOM 392 CB ASP A 26 -0.005 -1.609 11.514 1.00 0.00 C ATOM 393 CG ASP A 26 -0.843 -2.297 12.595 1.00 0.00 C ATOM 394 OD1 ASP A 26 -1.125 -3.473 12.436 1.00 0.00 O ATOM 395 OD2 ASP A 26 -1.192 -1.638 13.561 1.00 0.00 O ATOM 0 H ASP A 26 1.394 -2.581 8.638 1.00 0.00 H new ATOM 0 HA ASP A 26 0.261 -3.503 10.518 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.012 -1.451 11.872 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -0.419 -0.627 11.287 1.00 0.00 H new ATOM 400 N GLN A 27 -1.365 -2.493 8.302 1.00 0.00 N ATOM 401 CA GLN A 27 -2.643 -2.478 7.556 1.00 0.00 C ATOM 402 C GLN A 27 -2.973 -3.900 7.109 1.00 0.00 C ATOM 403 O GLN A 27 -2.186 -4.538 6.442 1.00 0.00 O ATOM 404 CB GLN A 27 -2.355 -1.587 6.344 1.00 0.00 C ATOM 405 CG GLN A 27 -1.603 -0.324 6.790 1.00 0.00 C ATOM 406 CD GLN A 27 -2.602 0.812 6.999 1.00 0.00 C ATOM 407 OE1 GLN A 27 -3.115 1.373 6.050 1.00 0.00 O ATOM 408 NE2 GLN A 27 -2.908 1.170 8.214 1.00 0.00 N ATOM 0 H GLN A 27 -0.528 -2.527 7.720 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.487 -2.114 8.142 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.761 -2.135 5.612 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.289 -1.311 5.855 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.058 -0.519 7.714 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.866 -0.041 6.038 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.477 0.698 9.009 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.579 1.922 8.370 1.00 0.00 H new ATOM 417 N ARG A 28 -4.113 -4.420 7.461 1.00 0.00 N ATOM 418 CA ARG A 28 -4.416 -5.805 7.016 1.00 0.00 C ATOM 419 C ARG A 28 -5.284 -5.780 5.761 1.00 0.00 C ATOM 420 O ARG A 28 -5.466 -6.783 5.102 1.00 0.00 O ATOM 421 CB ARG A 28 -5.128 -6.481 8.179 1.00 0.00 C ATOM 422 CG ARG A 28 -4.168 -6.537 9.359 1.00 0.00 C ATOM 423 CD ARG A 28 -4.420 -5.334 10.254 1.00 0.00 C ATOM 424 NE ARG A 28 -4.884 -5.910 11.550 1.00 0.00 N ATOM 425 CZ ARG A 28 -6.049 -5.577 12.033 1.00 0.00 C ATOM 426 NH1 ARG A 28 -6.234 -4.383 12.524 1.00 0.00 N ATOM 427 NH2 ARG A 28 -7.027 -6.443 12.037 1.00 0.00 N ATOM 0 H ARG A 28 -4.831 -3.961 8.022 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.511 -6.353 6.754 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.028 -5.927 8.447 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.444 -7.486 7.899 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.312 -7.461 9.919 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.137 -6.536 9.007 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.514 -4.743 10.386 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.172 -4.672 9.824 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.290 -6.565 12.059 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.468 -3.710 12.530 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.145 -4.122 12.902 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.880 -7.380 11.662 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.938 -6.182 12.415 1.00 0.00 H new ATOM 441 N GLN A 29 -5.795 -4.627 5.423 1.00 0.00 N ATOM 442 CA GLN A 29 -6.626 -4.472 4.203 1.00 0.00 C ATOM 443 C GLN A 29 -8.029 -5.032 4.419 1.00 0.00 C ATOM 444 O GLN A 29 -8.628 -5.594 3.525 1.00 0.00 O ATOM 445 CB GLN A 29 -5.901 -5.246 3.105 1.00 0.00 C ATOM 446 CG GLN A 29 -4.390 -4.973 3.161 1.00 0.00 C ATOM 447 CD GLN A 29 -3.623 -6.278 2.951 1.00 0.00 C ATOM 448 OE1 GLN A 29 -3.094 -6.848 3.887 1.00 0.00 O ATOM 449 NE2 GLN A 29 -3.539 -6.776 1.749 1.00 0.00 N ATOM 0 H GLN A 29 -5.666 -3.768 5.957 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.750 -3.421 3.941 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.088 -6.314 3.221 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.293 -4.958 2.130 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.113 -4.249 2.394 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.125 -4.535 4.123 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.983 -6.296 0.966 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.029 -7.645 1.592 1.00 0.00 H new ATOM 458 N ALA A 30 -8.572 -4.857 5.589 1.00 0.00 N ATOM 459 CA ALA A 30 -9.949 -5.356 5.840 1.00 0.00 C ATOM 460 C ALA A 30 -10.851 -4.956 4.669 1.00 0.00 C ATOM 461 O ALA A 30 -11.871 -5.562 4.412 1.00 0.00 O ATOM 462 CB ALA A 30 -10.389 -4.649 7.119 1.00 0.00 C ATOM 0 H ALA A 30 -8.124 -4.392 6.379 1.00 0.00 H new ATOM 0 HA ALA A 30 -9.999 -6.440 5.938 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.401 -4.962 7.378 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.710 -4.909 7.931 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.371 -3.570 6.963 1.00 0.00 H new ATOM 468 N GLY A 31 -10.472 -3.927 3.962 1.00 0.00 N ATOM 469 CA GLY A 31 -11.278 -3.462 2.805 1.00 0.00 C ATOM 470 C GLY A 31 -10.654 -2.168 2.293 1.00 0.00 C ATOM 471 O GLY A 31 -11.116 -1.085 2.593 1.00 0.00 O ATOM 0 H GLY A 31 -9.627 -3.384 4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.290 -4.217 2.019 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.313 -3.295 3.103 1.00 0.00 H new ATOM 475 N ALA A 32 -9.586 -2.264 1.548 1.00 0.00 N ATOM 476 CA ALA A 32 -8.923 -1.028 1.052 1.00 0.00 C ATOM 477 C ALA A 32 -8.412 -1.213 -0.379 1.00 0.00 C ATOM 478 O ALA A 32 -8.383 -2.303 -0.914 1.00 0.00 O ATOM 479 CB ALA A 32 -7.732 -0.818 1.993 1.00 0.00 C ATOM 0 H ALA A 32 -9.147 -3.140 1.264 1.00 0.00 H new ATOM 0 HA ALA A 32 -9.613 -0.184 1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.187 0.078 1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.092 -0.701 3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.069 -1.681 1.939 1.00 0.00 H new ATOM 485 N ALA A 33 -7.977 -0.146 -0.978 1.00 0.00 N ATOM 486 CA ALA A 33 -7.420 -0.205 -2.358 1.00 0.00 C ATOM 487 C ALA A 33 -6.425 0.937 -2.483 1.00 0.00 C ATOM 488 O ALA A 33 -6.523 1.908 -1.770 1.00 0.00 O ATOM 489 CB ALA A 33 -8.605 -0.010 -3.297 1.00 0.00 C ATOM 0 H ALA A 33 -7.983 0.786 -0.563 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.914 -1.142 -2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.260 -0.043 -4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.334 -0.803 -3.132 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.070 0.956 -3.101 1.00 0.00 H new ATOM 495 N LEU A 34 -5.444 0.850 -3.327 1.00 0.00 N ATOM 496 CA LEU A 34 -4.474 1.974 -3.366 1.00 0.00 C ATOM 497 C LEU A 34 -3.860 2.170 -4.754 1.00 0.00 C ATOM 498 O LEU A 34 -3.938 1.311 -5.610 1.00 0.00 O ATOM 499 CB LEU A 34 -3.425 1.575 -2.299 1.00 0.00 C ATOM 500 CG LEU A 34 -1.994 1.490 -2.875 1.00 0.00 C ATOM 501 CD1 LEU A 34 -1.020 1.112 -1.754 1.00 0.00 C ATOM 502 CD2 LEU A 34 -1.918 0.417 -3.966 1.00 0.00 C ATOM 0 H LEU A 34 -5.272 0.079 -3.972 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.937 2.938 -3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.443 2.302 -1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.698 0.611 -1.870 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.732 2.459 -3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.009 1.051 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.054 1.870 -0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.303 0.146 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.903 0.371 -4.361 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.188 -0.551 -3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.609 0.667 -4.771 1.00 0.00 H new ATOM 514 N ALA A 35 -3.214 3.289 -4.959 1.00 0.00 N ATOM 515 CA ALA A 35 -2.549 3.534 -6.269 1.00 0.00 C ATOM 516 C ALA A 35 -1.094 3.902 -6.020 1.00 0.00 C ATOM 517 O ALA A 35 -0.798 4.861 -5.335 1.00 0.00 O ATOM 518 CB ALA A 35 -3.280 4.713 -6.909 1.00 0.00 C ATOM 0 H ALA A 35 -3.120 4.041 -4.276 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.581 2.656 -6.914 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.832 4.937 -7.877 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.331 4.458 -7.046 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.200 5.586 -6.261 1.00 0.00 H new ATOM 524 N ILE A 36 -0.182 3.158 -6.567 1.00 0.00 N ATOM 525 CA ILE A 36 1.249 3.490 -6.349 1.00 0.00 C ATOM 526 C ILE A 36 1.846 4.063 -7.636 1.00 0.00 C ATOM 527 O ILE A 36 1.746 3.475 -8.685 1.00 0.00 O ATOM 528 CB ILE A 36 1.938 2.174 -5.976 1.00 0.00 C ATOM 529 CG1 ILE A 36 1.253 1.551 -4.753 1.00 0.00 C ATOM 530 CG2 ILE A 36 3.400 2.460 -5.639 1.00 0.00 C ATOM 531 CD1 ILE A 36 2.115 0.407 -4.209 1.00 0.00 C ATOM 0 H ILE A 36 -0.361 2.341 -7.151 1.00 0.00 H new ATOM 0 HA ILE A 36 1.379 4.236 -5.565 1.00 0.00 H new ATOM 0 HB ILE A 36 1.872 1.481 -6.814 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.105 2.307 -3.982 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.266 1.178 -5.027 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.901 1.529 -5.372 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.893 2.902 -6.505 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.451 3.153 -4.800 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.627 -0.035 -3.340 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.240 -0.353 -4.980 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.092 0.794 -3.919 1.00 0.00 H new ATOM 543 N ASN A 37 2.454 5.210 -7.555 1.00 0.00 N ATOM 544 CA ASN A 37 3.057 5.849 -8.762 1.00 0.00 C ATOM 545 C ASN A 37 1.973 6.185 -9.795 1.00 0.00 C ATOM 546 O ASN A 37 2.266 6.405 -10.951 1.00 0.00 O ATOM 547 CB ASN A 37 4.053 4.833 -9.328 1.00 0.00 C ATOM 548 CG ASN A 37 5.236 4.691 -8.369 1.00 0.00 C ATOM 549 OD1 ASN A 37 5.455 5.537 -7.524 1.00 0.00 O ATOM 550 ND2 ASN A 37 6.012 3.646 -8.464 1.00 0.00 N ATOM 0 H ASN A 37 2.562 5.743 -6.692 1.00 0.00 H new ATOM 0 HA ASN A 37 3.551 6.787 -8.510 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.565 3.868 -9.467 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.402 5.157 -10.308 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.803 3.539 -7.829 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.828 2.937 -9.173 1.00 0.00 H new ATOM 557 N GLN A 38 0.732 6.240 -9.354 1.00 0.00 N ATOM 558 CA GLN A 38 -0.441 6.583 -10.241 1.00 0.00 C ATOM 559 C GLN A 38 -1.112 5.325 -10.809 1.00 0.00 C ATOM 560 O GLN A 38 -2.171 5.401 -11.399 1.00 0.00 O ATOM 561 CB GLN A 38 0.079 7.517 -11.357 1.00 0.00 C ATOM 562 CG GLN A 38 0.390 6.734 -12.643 1.00 0.00 C ATOM 563 CD GLN A 38 -0.914 6.412 -13.378 1.00 0.00 C ATOM 564 OE1 GLN A 38 -1.103 5.305 -13.842 1.00 0.00 O ATOM 565 NE2 GLN A 38 -1.831 7.333 -13.496 1.00 0.00 N ATOM 0 H GLN A 38 0.474 6.055 -8.385 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.214 7.089 -9.663 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.666 8.285 -11.568 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.978 8.030 -11.015 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.047 7.319 -13.287 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.919 5.813 -12.400 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.673 8.263 -13.107 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.705 7.123 -13.977 1.00 0.00 H new ATOM 574 N GLN A 39 -0.546 4.169 -10.614 1.00 0.00 N ATOM 575 CA GLN A 39 -1.224 2.944 -11.132 1.00 0.00 C ATOM 576 C GLN A 39 -2.070 2.338 -10.015 1.00 0.00 C ATOM 577 O GLN A 39 -1.549 1.804 -9.056 1.00 0.00 O ATOM 578 CB GLN A 39 -0.124 1.961 -11.559 1.00 0.00 C ATOM 579 CG GLN A 39 0.997 1.941 -10.522 1.00 0.00 C ATOM 580 CD GLN A 39 1.884 0.708 -10.717 1.00 0.00 C ATOM 581 OE1 GLN A 39 1.341 -0.444 -11.006 1.00 0.00 O flip ATOM 582 NE2 GLN A 39 3.090 0.794 -10.600 1.00 0.00 N flip ATOM 0 H GLN A 39 0.338 4.017 -10.129 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.874 3.172 -11.977 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.543 0.961 -11.671 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.275 2.250 -12.531 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.598 2.846 -10.609 1.00 0.00 H new ATOM 0 HG3 GLN A 39 0.572 1.936 -9.518 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.518 1.692 -10.374 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.675 -0.032 -10.727 1.00 0.00 H new ATOM 591 N ILE A 40 -3.371 2.415 -10.120 1.00 0.00 N ATOM 592 CA ILE A 40 -4.225 1.833 -9.039 1.00 0.00 C ATOM 593 C ILE A 40 -4.208 0.316 -9.145 1.00 0.00 C ATOM 594 O ILE A 40 -4.616 -0.255 -10.135 1.00 0.00 O ATOM 595 CB ILE A 40 -5.652 2.346 -9.271 1.00 0.00 C ATOM 596 CG1 ILE A 40 -5.748 3.815 -8.851 1.00 0.00 C ATOM 597 CG2 ILE A 40 -6.638 1.509 -8.435 1.00 0.00 C ATOM 598 CD1 ILE A 40 -5.149 4.706 -9.941 1.00 0.00 C ATOM 0 H ILE A 40 -3.874 2.848 -10.894 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.861 2.119 -8.052 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.900 2.257 -10.329 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.790 4.086 -8.679 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.219 3.969 -7.911 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.653 1.872 -8.598 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.574 0.463 -8.736 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.386 1.599 -7.378 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.220 5.750 -9.637 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.102 4.442 -10.092 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.698 4.561 -10.872 1.00 0.00 H new ATOM 610 N VAL A 41 -3.734 -0.339 -8.131 1.00 0.00 N ATOM 611 CA VAL A 41 -3.681 -1.819 -8.171 1.00 0.00 C ATOM 612 C VAL A 41 -4.749 -2.420 -7.305 1.00 0.00 C ATOM 613 O VAL A 41 -5.074 -1.900 -6.255 1.00 0.00 O ATOM 614 CB VAL A 41 -2.351 -2.199 -7.574 1.00 0.00 C ATOM 615 CG1 VAL A 41 -2.173 -3.711 -7.689 1.00 0.00 C ATOM 616 CG2 VAL A 41 -1.247 -1.477 -8.326 1.00 0.00 C ATOM 0 H VAL A 41 -3.380 0.087 -7.274 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.819 -2.173 -9.193 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.308 -1.914 -6.523 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.213 -3.998 -7.260 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.976 -4.214 -7.150 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.203 -4.002 -8.739 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.280 -1.746 -7.900 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.274 -1.765 -9.377 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.393 -0.400 -8.241 1.00 0.00 H new ATOM 626 N PRO A 42 -5.226 -3.528 -7.741 1.00 0.00 N ATOM 627 CA PRO A 42 -6.220 -4.228 -6.950 1.00 0.00 C ATOM 628 C PRO A 42 -5.582 -4.897 -5.743 1.00 0.00 C ATOM 629 O PRO A 42 -4.655 -5.674 -5.840 1.00 0.00 O ATOM 630 CB PRO A 42 -6.802 -5.235 -7.898 1.00 0.00 C ATOM 631 CG PRO A 42 -5.772 -5.451 -8.962 1.00 0.00 C ATOM 632 CD PRO A 42 -4.905 -4.222 -8.996 1.00 0.00 C ATOM 0 HA PRO A 42 -6.981 -3.561 -6.544 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.031 -6.168 -7.383 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.735 -4.871 -8.328 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.175 -6.337 -8.746 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.246 -5.614 -9.930 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.847 -4.481 -9.050 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.126 -3.601 -9.864 1.00 0.00 H new ATOM 640 N ARG A 43 -6.105 -4.561 -4.620 1.00 0.00 N ATOM 641 CA ARG A 43 -5.625 -5.101 -3.304 1.00 0.00 C ATOM 642 C ARG A 43 -4.890 -6.433 -3.434 1.00 0.00 C ATOM 643 O ARG A 43 -3.748 -6.565 -3.058 1.00 0.00 O ATOM 644 CB ARG A 43 -6.895 -5.321 -2.478 1.00 0.00 C ATOM 645 CG ARG A 43 -8.023 -5.897 -3.345 1.00 0.00 C ATOM 646 CD ARG A 43 -9.272 -5.028 -3.204 1.00 0.00 C ATOM 647 NE ARG A 43 -9.887 -5.025 -4.560 1.00 0.00 N ATOM 648 CZ ARG A 43 -10.535 -6.073 -4.986 1.00 0.00 C ATOM 649 NH1 ARG A 43 -11.518 -6.559 -4.279 1.00 0.00 N ATOM 650 NH2 ARG A 43 -10.198 -6.637 -6.115 1.00 0.00 N ATOM 0 H ARG A 43 -6.882 -3.905 -4.538 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.916 -4.405 -2.856 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.683 -6.001 -1.653 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.215 -4.376 -2.039 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.710 -5.935 -4.388 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.243 -6.920 -3.041 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.956 -5.436 -2.460 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.017 -4.018 -2.883 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.801 -4.202 -5.156 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.777 -6.119 -3.396 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.027 -7.379 -4.609 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.427 -6.258 -6.664 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.706 -7.457 -6.447 1.00 0.00 H new ATOM 664 N GLU A 44 -5.554 -7.426 -3.932 1.00 0.00 N ATOM 665 CA GLU A 44 -4.934 -8.763 -4.067 1.00 0.00 C ATOM 666 C GLU A 44 -3.483 -8.658 -4.548 1.00 0.00 C ATOM 667 O GLU A 44 -2.595 -9.287 -4.009 1.00 0.00 O ATOM 668 CB GLU A 44 -5.829 -9.442 -5.091 1.00 0.00 C ATOM 669 CG GLU A 44 -5.135 -10.685 -5.650 1.00 0.00 C ATOM 670 CD GLU A 44 -6.071 -11.893 -5.543 1.00 0.00 C ATOM 671 OE1 GLU A 44 -7.108 -11.762 -4.911 1.00 0.00 O ATOM 672 OE2 GLU A 44 -5.736 -12.927 -6.093 1.00 0.00 O ATOM 0 H GLU A 44 -6.519 -7.367 -4.258 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.870 -9.313 -3.128 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.777 -9.721 -4.630 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.060 -8.749 -5.900 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.856 -10.520 -6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.214 -10.877 -5.100 1.00 0.00 H new ATOM 679 N GLN A 45 -3.232 -7.863 -5.549 1.00 0.00 N ATOM 680 CA GLN A 45 -1.834 -7.721 -6.050 1.00 0.00 C ATOM 681 C GLN A 45 -0.914 -7.299 -4.915 1.00 0.00 C ATOM 682 O GLN A 45 0.252 -7.619 -4.902 1.00 0.00 O ATOM 683 CB GLN A 45 -1.887 -6.629 -7.113 1.00 0.00 C ATOM 684 CG GLN A 45 -2.405 -7.196 -8.433 1.00 0.00 C ATOM 685 CD GLN A 45 -1.842 -6.359 -9.583 1.00 0.00 C ATOM 686 OE1 GLN A 45 -0.667 -6.051 -9.604 1.00 0.00 O ATOM 687 NE2 GLN A 45 -2.637 -5.964 -10.538 1.00 0.00 N ATOM 0 H GLN A 45 -3.930 -7.306 -6.042 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.451 -8.659 -6.452 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.535 -5.818 -6.779 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.894 -6.204 -7.257 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.103 -8.238 -8.541 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.495 -7.177 -8.450 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.623 -6.223 -10.520 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.272 -5.396 -11.303 1.00 0.00 H new ATOM 696 N TRP A 46 -1.422 -6.576 -3.963 1.00 0.00 N ATOM 697 CA TRP A 46 -0.576 -6.149 -2.836 1.00 0.00 C ATOM 698 C TRP A 46 0.307 -7.307 -2.381 1.00 0.00 C ATOM 699 O TRP A 46 1.402 -7.117 -1.892 1.00 0.00 O ATOM 700 CB TRP A 46 -1.573 -5.783 -1.737 1.00 0.00 C ATOM 701 CG TRP A 46 -2.326 -4.543 -2.123 1.00 0.00 C ATOM 702 CD1 TRP A 46 -2.342 -3.996 -3.363 1.00 0.00 C ATOM 703 CD2 TRP A 46 -3.181 -3.694 -1.294 1.00 0.00 C ATOM 704 NE1 TRP A 46 -3.138 -2.863 -3.344 1.00 0.00 N ATOM 705 CE2 TRP A 46 -3.678 -2.635 -2.092 1.00 0.00 C ATOM 706 CE3 TRP A 46 -3.566 -3.735 0.058 1.00 0.00 C ATOM 707 CZ2 TRP A 46 -4.527 -1.656 -1.565 1.00 0.00 C ATOM 708 CZ3 TRP A 46 -4.424 -2.747 0.586 1.00 0.00 C ATOM 709 CH2 TRP A 46 -4.899 -1.714 -0.226 1.00 0.00 C ATOM 0 H TRP A 46 -2.392 -6.264 -3.922 1.00 0.00 H new ATOM 0 HA TRP A 46 0.086 -5.322 -3.093 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.269 -6.606 -1.576 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.047 -5.622 -0.796 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -1.819 -4.381 -4.226 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -3.306 -2.269 -4.156 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.203 -4.527 0.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -4.892 -0.859 -2.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.716 -2.790 1.625 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.555 -0.961 0.186 1.00 0.00 H new ATOM 720 N ALA A 47 -0.168 -8.504 -2.539 1.00 0.00 N ATOM 721 CA ALA A 47 0.619 -9.692 -2.121 1.00 0.00 C ATOM 722 C ALA A 47 1.670 -10.032 -3.179 1.00 0.00 C ATOM 723 O ALA A 47 2.642 -10.716 -2.921 1.00 0.00 O ATOM 724 CB ALA A 47 -0.435 -10.780 -2.036 1.00 0.00 C ATOM 0 H ALA A 47 -1.080 -8.714 -2.945 1.00 0.00 H new ATOM 0 HA ALA A 47 1.165 -9.550 -1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.033 -11.717 -1.732 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.191 -10.498 -1.304 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.905 -10.909 -3.011 1.00 0.00 H new ATOM 730 N GLN A 48 1.478 -9.537 -4.361 1.00 0.00 N ATOM 731 CA GLN A 48 2.439 -9.787 -5.461 1.00 0.00 C ATOM 732 C GLN A 48 2.912 -8.438 -5.997 1.00 0.00 C ATOM 733 O GLN A 48 3.448 -8.330 -7.082 1.00 0.00 O ATOM 734 CB GLN A 48 1.631 -10.544 -6.520 1.00 0.00 C ATOM 735 CG GLN A 48 1.179 -11.893 -5.952 1.00 0.00 C ATOM 736 CD GLN A 48 -0.048 -12.390 -6.720 1.00 0.00 C ATOM 737 OE1 GLN A 48 -1.045 -11.577 -6.923 1.00 0.00 O flip ATOM 738 NE2 GLN A 48 -0.100 -13.531 -7.135 1.00 0.00 N flip ATOM 0 H GLN A 48 0.679 -8.957 -4.617 1.00 0.00 H new ATOM 0 HA GLN A 48 3.319 -10.354 -5.156 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.764 -9.955 -6.820 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.237 -10.698 -7.413 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.987 -12.620 -6.029 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.941 -11.791 -4.893 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.681 -14.168 -6.976 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.925 -13.852 -7.642 1.00 0.00 H new ATOM 747 N HIS A 49 2.685 -7.404 -5.238 1.00 0.00 N ATOM 748 CA HIS A 49 3.078 -6.043 -5.675 1.00 0.00 C ATOM 749 C HIS A 49 4.282 -5.552 -4.873 1.00 0.00 C ATOM 750 O HIS A 49 4.152 -4.734 -3.987 1.00 0.00 O ATOM 751 CB HIS A 49 1.838 -5.209 -5.372 1.00 0.00 C ATOM 752 CG HIS A 49 1.945 -3.871 -6.050 1.00 0.00 C ATOM 753 ND1 HIS A 49 1.362 -3.619 -7.283 1.00 0.00 N ATOM 754 CD2 HIS A 49 2.554 -2.700 -5.677 1.00 0.00 C ATOM 755 CE1 HIS A 49 1.628 -2.341 -7.603 1.00 0.00 C ATOM 756 NE2 HIS A 49 2.354 -1.734 -6.659 1.00 0.00 N ATOM 0 H HIS A 49 2.238 -7.448 -4.322 1.00 0.00 H new ATOM 0 HA HIS A 49 3.376 -5.992 -6.722 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.945 -5.731 -5.716 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.734 -5.074 -4.295 1.00 0.00 H new ATOM 0 HD1 HIS A 49 0.829 -4.283 -7.845 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.105 -2.550 -4.760 1.00 0.00 H new ATOM 0 HE1 HIS A 49 1.296 -1.863 -8.512 1.00 0.00 H new ATOM 764 N ILE A 50 5.454 -6.045 -5.190 1.00 0.00 N ATOM 765 CA ILE A 50 6.683 -5.627 -4.459 1.00 0.00 C ATOM 766 C ILE A 50 6.818 -4.105 -4.457 1.00 0.00 C ATOM 767 O ILE A 50 6.712 -3.448 -5.474 1.00 0.00 O ATOM 768 CB ILE A 50 7.833 -6.277 -5.223 1.00 0.00 C ATOM 769 CG1 ILE A 50 7.798 -7.791 -4.985 1.00 0.00 C ATOM 770 CG2 ILE A 50 9.173 -5.705 -4.743 1.00 0.00 C ATOM 771 CD1 ILE A 50 8.191 -8.103 -3.541 1.00 0.00 C ATOM 0 H ILE A 50 5.610 -6.727 -5.933 1.00 0.00 H new ATOM 0 HA ILE A 50 6.665 -5.933 -3.413 1.00 0.00 H new ATOM 0 HB ILE A 50 7.726 -6.070 -6.288 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.799 -8.177 -5.190 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.480 -8.291 -5.672 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.988 -6.175 -5.294 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.192 -4.629 -4.915 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.293 -5.904 -3.678 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.163 -9.181 -3.381 1.00 0.00 H new ATOM 0 HD12 ILE A 50 9.199 -7.734 -3.350 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.492 -7.617 -2.861 1.00 0.00 H new ATOM 783 N VAL A 51 7.027 -3.557 -3.298 1.00 0.00 N ATOM 784 CA VAL A 51 7.153 -2.079 -3.142 1.00 0.00 C ATOM 785 C VAL A 51 8.622 -1.656 -3.239 1.00 0.00 C ATOM 786 O VAL A 51 9.515 -2.373 -2.830 1.00 0.00 O ATOM 787 CB VAL A 51 6.595 -1.829 -1.742 1.00 0.00 C ATOM 788 CG1 VAL A 51 6.403 -0.338 -1.526 1.00 0.00 C ATOM 789 CG2 VAL A 51 5.247 -2.540 -1.615 1.00 0.00 C ATOM 0 H VAL A 51 7.119 -4.082 -2.428 1.00 0.00 H new ATOM 0 HA VAL A 51 6.629 -1.512 -3.912 1.00 0.00 H new ATOM 0 HB VAL A 51 7.290 -2.211 -0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.005 -0.163 -0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.361 0.171 -1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.705 0.050 -2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.838 -2.369 -0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.557 -2.149 -2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.384 -3.610 -1.772 1.00 0.00 H new ATOM 799 N GLN A 52 8.880 -0.505 -3.798 1.00 0.00 N ATOM 800 CA GLN A 52 10.293 -0.045 -3.947 1.00 0.00 C ATOM 801 C GLN A 52 10.622 1.084 -2.986 1.00 0.00 C ATOM 802 O GLN A 52 9.759 1.829 -2.566 1.00 0.00 O ATOM 803 CB GLN A 52 10.370 0.528 -5.347 1.00 0.00 C ATOM 804 CG GLN A 52 9.970 -0.530 -6.372 1.00 0.00 C ATOM 805 CD GLN A 52 8.457 -0.466 -6.576 1.00 0.00 C ATOM 806 OE1 GLN A 52 7.887 0.606 -6.628 1.00 0.00 O ATOM 807 NE2 GLN A 52 7.776 -1.571 -6.689 1.00 0.00 N ATOM 0 H GLN A 52 8.175 0.138 -4.158 1.00 0.00 H new ATOM 0 HA GLN A 52 10.980 -0.869 -3.753 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.712 1.393 -5.431 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.382 0.877 -5.550 1.00 0.00 H new ATOM 0 HG2 GLN A 52 10.486 -0.356 -7.316 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.263 -1.521 -6.026 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.254 -2.471 -6.645 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.765 -1.536 -6.821 1.00 0.00 H new ATOM 816 N ASP A 53 11.869 1.258 -2.672 1.00 0.00 N ATOM 817 CA ASP A 53 12.234 2.385 -1.789 1.00 0.00 C ATOM 818 C ASP A 53 11.893 3.672 -2.517 1.00 0.00 C ATOM 819 O ASP A 53 12.348 3.942 -3.610 1.00 0.00 O ATOM 820 CB ASP A 53 13.724 2.247 -1.538 1.00 0.00 C ATOM 821 CG ASP A 53 14.352 3.621 -1.274 1.00 0.00 C ATOM 822 OD1 ASP A 53 14.425 4.406 -2.205 1.00 0.00 O ATOM 823 OD2 ASP A 53 14.747 3.862 -0.147 1.00 0.00 O ATOM 0 H ASP A 53 12.644 0.673 -2.986 1.00 0.00 H new ATOM 0 HA ASP A 53 11.702 2.391 -0.838 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.896 1.592 -0.684 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.203 1.781 -2.399 1.00 0.00 H new ATOM 828 N GLY A 54 11.031 4.416 -1.932 1.00 0.00 N ATOM 829 CA GLY A 54 10.542 5.661 -2.555 1.00 0.00 C ATOM 830 C GLY A 54 9.138 5.355 -3.064 1.00 0.00 C ATOM 831 O GLY A 54 8.534 6.122 -3.784 1.00 0.00 O ATOM 0 H GLY A 54 10.627 4.213 -1.018 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.526 6.478 -1.833 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.194 5.970 -3.372 1.00 0.00 H new ATOM 835 N ASP A 55 8.630 4.203 -2.694 1.00 0.00 N ATOM 836 CA ASP A 55 7.274 3.786 -3.148 1.00 0.00 C ATOM 837 C ASP A 55 6.202 4.838 -2.824 1.00 0.00 C ATOM 838 O ASP A 55 6.077 5.290 -1.710 1.00 0.00 O ATOM 839 CB ASP A 55 6.985 2.512 -2.375 1.00 0.00 C ATOM 840 CG ASP A 55 5.564 2.042 -2.693 1.00 0.00 C ATOM 841 OD1 ASP A 55 5.366 1.490 -3.763 1.00 0.00 O ATOM 842 OD2 ASP A 55 4.697 2.240 -1.858 1.00 0.00 O ATOM 0 H ASP A 55 9.105 3.531 -2.091 1.00 0.00 H new ATOM 0 HA ASP A 55 7.250 3.654 -4.230 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.705 1.739 -2.643 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.091 2.690 -1.305 1.00 0.00 H new ATOM 847 N GLN A 56 5.403 5.195 -3.787 1.00 0.00 N ATOM 848 CA GLN A 56 4.306 6.182 -3.547 1.00 0.00 C ATOM 849 C GLN A 56 2.972 5.437 -3.509 1.00 0.00 C ATOM 850 O GLN A 56 2.811 4.420 -4.146 1.00 0.00 O ATOM 851 CB GLN A 56 4.403 7.142 -4.735 1.00 0.00 C ATOM 852 CG GLN A 56 3.073 7.859 -4.959 1.00 0.00 C ATOM 853 CD GLN A 56 3.087 9.235 -4.291 1.00 0.00 C ATOM 854 OE1 GLN A 56 4.075 9.636 -3.708 1.00 0.00 O ATOM 855 NE2 GLN A 56 2.019 9.984 -4.363 1.00 0.00 N ATOM 0 H GLN A 56 5.460 4.843 -4.743 1.00 0.00 H new ATOM 0 HA GLN A 56 4.384 6.721 -2.603 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.190 7.874 -4.554 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.680 6.590 -5.633 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.888 7.969 -6.028 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.257 7.260 -4.554 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.191 9.646 -4.853 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.013 10.907 -3.929 1.00 0.00 H new ATOM 864 N ILE A 57 2.032 5.895 -2.726 1.00 0.00 N ATOM 865 CA ILE A 57 0.742 5.153 -2.629 1.00 0.00 C ATOM 866 C ILE A 57 -0.489 6.057 -2.553 1.00 0.00 C ATOM 867 O ILE A 57 -0.477 7.103 -1.936 1.00 0.00 O ATOM 868 CB ILE A 57 0.851 4.415 -1.312 1.00 0.00 C ATOM 869 CG1 ILE A 57 1.939 3.362 -1.384 1.00 0.00 C ATOM 870 CG2 ILE A 57 -0.475 3.741 -0.997 1.00 0.00 C ATOM 871 CD1 ILE A 57 2.076 2.728 -0.007 1.00 0.00 C ATOM 0 H ILE A 57 2.099 6.739 -2.157 1.00 0.00 H new ATOM 0 HA ILE A 57 0.605 4.531 -3.514 1.00 0.00 H new ATOM 0 HB ILE A 57 1.100 5.131 -0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.688 2.606 -2.128 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.883 3.811 -1.692 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.397 3.209 -0.049 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.259 4.495 -0.927 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.721 3.034 -1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.854 1.965 -0.033 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.343 3.494 0.721 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.129 2.270 0.279 1.00 0.00 H new ATOM 883 N LEU A 58 -1.581 5.589 -3.095 1.00 0.00 N ATOM 884 CA LEU A 58 -2.866 6.329 -2.977 1.00 0.00 C ATOM 885 C LEU A 58 -3.802 5.430 -2.171 1.00 0.00 C ATOM 886 O LEU A 58 -3.766 4.233 -2.323 1.00 0.00 O ATOM 887 CB LEU A 58 -3.373 6.556 -4.395 1.00 0.00 C ATOM 888 CG LEU A 58 -2.430 7.522 -5.123 1.00 0.00 C ATOM 889 CD1 LEU A 58 -3.108 8.053 -6.388 1.00 0.00 C ATOM 890 CD2 LEU A 58 -2.091 8.703 -4.205 1.00 0.00 C ATOM 0 H LEU A 58 -1.636 4.716 -3.620 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.782 7.295 -2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.425 5.608 -4.931 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.383 6.965 -4.371 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.517 6.991 -5.392 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.434 8.739 -6.901 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.350 7.220 -7.048 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.023 8.579 -6.117 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.421 9.387 -4.725 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.007 9.228 -3.934 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.604 8.334 -3.302 1.00 0.00 H new ATOM 902 N LEU A 59 -4.587 5.959 -1.273 1.00 0.00 N ATOM 903 CA LEU A 59 -5.445 5.050 -0.449 1.00 0.00 C ATOM 904 C LEU A 59 -6.939 5.170 -0.769 1.00 0.00 C ATOM 905 O LEU A 59 -7.511 6.242 -0.780 1.00 0.00 O ATOM 906 CB LEU A 59 -5.194 5.467 0.999 1.00 0.00 C ATOM 907 CG LEU A 59 -6.007 4.561 1.924 1.00 0.00 C ATOM 908 CD1 LEU A 59 -5.624 3.104 1.666 1.00 0.00 C ATOM 909 CD2 LEU A 59 -5.709 4.917 3.381 1.00 0.00 C ATOM 0 H LEU A 59 -4.674 6.956 -1.074 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.188 4.011 -0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.132 5.391 1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.479 6.509 1.146 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.070 4.700 1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.201 2.454 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.836 2.850 0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.561 2.967 1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.289 4.271 4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.646 4.778 3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.979 5.957 3.564 1.00 0.00 H new ATOM 921 N PHE A 60 -7.577 4.047 -0.960 1.00 0.00 N ATOM 922 CA PHE A 60 -9.044 4.024 -1.208 1.00 0.00 C ATOM 923 C PHE A 60 -9.640 3.026 -0.223 1.00 0.00 C ATOM 924 O PHE A 60 -9.336 1.851 -0.263 1.00 0.00 O ATOM 925 CB PHE A 60 -9.212 3.538 -2.649 1.00 0.00 C ATOM 926 CG PHE A 60 -8.312 4.349 -3.544 1.00 0.00 C ATOM 927 CD1 PHE A 60 -8.644 5.670 -3.857 1.00 0.00 C ATOM 928 CD2 PHE A 60 -7.134 3.786 -4.042 1.00 0.00 C ATOM 929 CE1 PHE A 60 -7.801 6.426 -4.677 1.00 0.00 C ATOM 930 CE2 PHE A 60 -6.290 4.540 -4.858 1.00 0.00 C ATOM 931 CZ PHE A 60 -6.621 5.862 -5.176 1.00 0.00 C ATOM 0 H PHE A 60 -7.133 3.129 -0.954 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.533 4.989 -1.078 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -8.962 2.480 -2.722 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.250 3.642 -2.964 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -9.551 6.106 -3.466 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -6.877 2.767 -3.795 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.060 7.445 -4.925 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -5.381 4.103 -5.244 1.00 0.00 H new ATOM 0 HZ PHE A 60 -5.967 6.447 -5.806 1.00 0.00 H new ATOM 941 N GLN A 61 -10.448 3.474 0.691 1.00 0.00 N ATOM 942 CA GLN A 61 -10.994 2.521 1.693 1.00 0.00 C ATOM 943 C GLN A 61 -12.522 2.493 1.696 1.00 0.00 C ATOM 944 O GLN A 61 -13.179 3.508 1.815 1.00 0.00 O ATOM 945 CB GLN A 61 -10.462 3.034 3.037 1.00 0.00 C ATOM 946 CG GLN A 61 -10.618 4.558 3.116 1.00 0.00 C ATOM 947 CD GLN A 61 -10.609 4.999 4.583 1.00 0.00 C ATOM 948 OE1 GLN A 61 -11.076 4.284 5.447 1.00 0.00 O ATOM 949 NE2 GLN A 61 -10.093 6.155 4.902 1.00 0.00 N ATOM 0 H GLN A 61 -10.751 4.443 0.789 1.00 0.00 H new ATOM 0 HA GLN A 61 -10.689 1.498 1.475 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -11.004 2.562 3.856 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -9.413 2.761 3.150 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.808 5.045 2.574 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -11.549 4.864 2.639 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.701 6.756 4.177 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.082 6.457 5.876 1.00 0.00 H new ATOM 958 N VAL A 62 -13.085 1.318 1.611 1.00 0.00 N ATOM 959 CA VAL A 62 -14.565 1.186 1.657 1.00 0.00 C ATOM 960 C VAL A 62 -14.925 0.205 2.768 1.00 0.00 C ATOM 961 O VAL A 62 -14.545 -0.950 2.741 1.00 0.00 O ATOM 962 CB VAL A 62 -15.002 0.633 0.301 1.00 0.00 C ATOM 963 CG1 VAL A 62 -14.373 -0.741 0.083 1.00 0.00 C ATOM 964 CG2 VAL A 62 -16.527 0.492 0.294 1.00 0.00 C ATOM 0 H VAL A 62 -12.577 0.439 1.511 1.00 0.00 H new ATOM 0 HA VAL A 62 -15.057 2.138 1.854 1.00 0.00 H new ATOM 0 HB VAL A 62 -14.683 1.309 -0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -14.685 -1.135 -0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.287 -0.652 0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -14.697 -1.419 0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -16.852 0.098 -0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -16.833 -0.190 1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -16.983 1.468 0.459 1.00 0.00 H new ATOM 974 N ILE A 63 -15.663 0.650 3.737 1.00 0.00 N ATOM 975 CA ILE A 63 -16.060 -0.248 4.844 1.00 0.00 C ATOM 976 C ILE A 63 -17.567 -0.397 4.784 1.00 0.00 C ATOM 977 O ILE A 63 -18.305 0.446 5.254 1.00 0.00 O ATOM 978 CB ILE A 63 -15.632 0.473 6.128 1.00 0.00 C ATOM 979 CG1 ILE A 63 -14.179 0.997 6.025 1.00 0.00 C ATOM 980 CG2 ILE A 63 -15.746 -0.486 7.312 1.00 0.00 C ATOM 981 CD1 ILE A 63 -13.309 0.101 5.124 1.00 0.00 C ATOM 0 H ILE A 63 -16.011 1.606 3.810 1.00 0.00 H new ATOM 0 HA ILE A 63 -15.608 -1.238 4.794 1.00 0.00 H new ATOM 0 HB ILE A 63 -16.291 1.329 6.273 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -14.186 2.012 5.629 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.739 1.047 7.021 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.442 0.026 8.225 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -16.778 -0.821 7.410 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -15.099 -1.347 7.146 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.297 0.504 5.079 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.280 -0.908 5.534 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -13.734 0.073 4.120 1.00 0.00 H new ATOM 993 N ALA A 64 -18.034 -1.439 4.172 1.00 0.00 N ATOM 994 CA ALA A 64 -19.496 -1.602 4.041 1.00 0.00 C ATOM 995 C ALA A 64 -19.972 -2.902 4.699 1.00 0.00 C ATOM 996 O ALA A 64 -19.738 -3.985 4.201 1.00 0.00 O ATOM 997 CB ALA A 64 -19.729 -1.622 2.534 1.00 0.00 C ATOM 0 H ALA A 64 -17.469 -2.181 3.759 1.00 0.00 H new ATOM 0 HA ALA A 64 -20.053 -0.808 4.538 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.794 -1.740 2.332 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -19.379 -0.686 2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.181 -2.454 2.092 1.00 0.00 H new ATOM 1003 N GLY A 65 -20.641 -2.800 5.815 1.00 0.00 N ATOM 1004 CA GLY A 65 -21.131 -4.025 6.504 1.00 0.00 C ATOM 1005 C GLY A 65 -21.786 -3.641 7.834 1.00 0.00 C ATOM 1006 O GLY A 65 -22.798 -4.192 8.219 1.00 0.00 O ATOM 0 H GLY A 65 -20.869 -1.921 6.279 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -21.849 -4.547 5.871 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -20.303 -4.711 6.680 1.00 0.00 H new ATOM 1010 N GLY A 66 -21.216 -2.699 8.538 1.00 0.00 N ATOM 1011 CA GLY A 66 -21.807 -2.283 9.842 1.00 0.00 C ATOM 1012 C GLY A 66 -20.757 -2.413 10.948 1.00 0.00 C ATOM 1013 O GLY A 66 -20.605 -3.508 11.465 1.00 0.00 O ATOM 1014 OXT GLY A 66 -20.126 -1.417 11.260 1.00 0.00 O ATOM 0 H GLY A 66 -20.368 -2.201 8.266 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -22.159 -1.253 9.781 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -22.673 -2.903 10.074 1.00 0.00 H new TER 1018 GLY A 66