USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=11 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= -4.3! C(o=-8.9!,f=-8.9!) USER MOD Set 1.2: A 49 HIS :FLIP no HD1:sc= -4.64! C(o=-11!,f=-8.9!) USER MOD Set 2.1: A 19 HIS : no HE2:sc= 1.13 K(o=-3.1,f=-13!) USER MOD Set 2.2: A 29 GLN : amide:sc= -4.2! C(o=-3.1!,f=-4.2!) USER MOD Set 3.1: A 12 CYS SG : rot -47:sc= -3! USER MOD Set 3.2: A 16 GLN :FLIP amide:sc= -6.45! C(o=-10!,f=-9.5!) USER MOD Single : A 1 MET CE :methyl 179:sc= -10.5! (180deg=-10.6!) USER MOD Single : A 1 MET N :NH3+ -148:sc= 0.0138 (180deg=0) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.077 F(o=-1.8!,f=-0.077) USER MOD Single : A 6 ASN :FLIP amide:sc= -0.701 F(o=-2.7,f=-0.7) USER MOD Single : A 8 GLN : amide:sc= -0.0151 X(o=-0.015,f=0) USER MOD Single : A 10 MET CE :methyl -116:sc= -8.5! (180deg=-11.9!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 130:sc= 0.545 USER MOD Single : A 24 GLN : amide:sc= -0.434 K(o=-0.43,f=-1.1) USER MOD Single : A 27 GLN : amide:sc= -1.2 X(o=-1.2,f=-0.79) USER MOD Single : A 37 ASN : amide:sc= -1.05 K(o=-1.1,f=-3.9!) USER MOD Single : A 38 GLN :FLIP amide:sc= 0.236 F(o=-1.9!,f=0.24) USER MOD Single : A 45 GLN : amide:sc= -0.392 K(o=-0.39,f=-3.4!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 52 GLN : amide:sc= -0.252 K(o=-0.25,f=-1.5!) USER MOD Single : A 56 GLN : amide:sc= -0.0367 K(o=-0.037,f=-0.57) USER MOD Single : A 61 GLN : amide:sc= -0.0273 K(o=-0.027,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.215 1.380 2.775 1.00 0.00 N ATOM 2 CA MET A 1 13.312 1.969 1.746 1.00 0.00 C ATOM 3 C MET A 1 12.382 3.007 2.376 1.00 0.00 C ATOM 4 O MET A 1 12.344 3.175 3.579 1.00 0.00 O ATOM 5 CB MET A 1 12.545 0.784 1.163 1.00 0.00 C ATOM 6 CG MET A 1 11.193 0.629 1.828 1.00 0.00 C ATOM 7 SD MET A 1 9.970 1.552 0.876 1.00 0.00 S ATOM 8 CE MET A 1 9.673 0.361 -0.451 1.00 0.00 C ATOM 0 H1 MET A 1 15.126 1.135 2.338 1.00 0.00 H new ATOM 0 H2 MET A 1 14.371 2.071 3.537 1.00 0.00 H new ATOM 0 H3 MET A 1 13.779 0.522 3.170 1.00 0.00 H new ATOM 0 HA MET A 1 13.857 2.501 0.967 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.412 0.925 0.090 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.125 -0.129 1.295 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.916 -0.424 1.879 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.231 0.999 2.853 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.922 0.757 -1.134 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.601 0.183 -0.995 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.317 -0.577 -0.025 1.00 0.00 H new ATOM 20 N GLN A 2 11.632 3.701 1.569 1.00 0.00 N ATOM 21 CA GLN A 2 10.705 4.725 2.114 1.00 0.00 C ATOM 22 C GLN A 2 9.486 4.848 1.235 1.00 0.00 C ATOM 23 O GLN A 2 9.471 4.411 0.102 1.00 0.00 O ATOM 24 CB GLN A 2 11.497 6.013 2.098 1.00 0.00 C ATOM 25 CG GLN A 2 10.726 7.112 2.829 1.00 0.00 C ATOM 26 CD GLN A 2 11.257 8.503 2.450 1.00 0.00 C ATOM 27 OE1 GLN A 2 11.960 8.671 1.362 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 11.022 9.458 3.164 1.00 0.00 N flip ATOM 0 H GLN A 2 11.622 3.602 0.554 1.00 0.00 H new ATOM 0 HA GLN A 2 10.352 4.471 3.113 1.00 0.00 H new ATOM 0 HB2 GLN A 2 12.466 5.859 2.574 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.692 6.317 1.069 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.667 7.044 2.582 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.812 6.967 3.906 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.474 9.336 4.015 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.373 10.382 2.912 1.00 0.00 H new ATOM 37 N ILE A 3 8.430 5.370 1.777 1.00 0.00 N ATOM 38 CA ILE A 3 7.194 5.431 1.000 1.00 0.00 C ATOM 39 C ILE A 3 6.349 6.639 1.346 1.00 0.00 C ATOM 40 O ILE A 3 6.603 7.368 2.282 1.00 0.00 O ATOM 41 CB ILE A 3 6.449 4.157 1.410 1.00 0.00 C ATOM 42 CG1 ILE A 3 5.540 4.442 2.617 1.00 0.00 C ATOM 43 CG2 ILE A 3 7.465 3.079 1.781 1.00 0.00 C ATOM 44 CD1 ILE A 3 5.440 3.215 3.534 1.00 0.00 C ATOM 0 H ILE A 3 8.379 5.753 2.721 1.00 0.00 H new ATOM 0 HA ILE A 3 7.400 5.510 -0.067 1.00 0.00 H new ATOM 0 HB ILE A 3 5.835 3.816 0.577 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.932 5.289 3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.546 4.722 2.269 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.940 2.170 2.074 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.103 2.869 0.922 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.078 3.428 2.612 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.791 3.444 4.379 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.025 2.376 2.975 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.433 2.952 3.899 1.00 0.00 H new ATOM 56 N LEU A 4 5.282 6.767 0.638 1.00 0.00 N ATOM 57 CA LEU A 4 4.318 7.820 0.942 1.00 0.00 C ATOM 58 C LEU A 4 2.973 7.133 1.098 1.00 0.00 C ATOM 59 O LEU A 4 2.380 6.688 0.137 1.00 0.00 O ATOM 60 CB LEU A 4 4.300 8.755 -0.262 1.00 0.00 C ATOM 61 CG LEU A 4 3.329 9.897 0.031 1.00 0.00 C ATOM 62 CD1 LEU A 4 1.913 9.372 -0.142 1.00 0.00 C ATOM 63 CD2 LEU A 4 3.532 10.376 1.468 1.00 0.00 C ATOM 0 H LEU A 4 5.037 6.172 -0.153 1.00 0.00 H new ATOM 0 HA LEU A 4 4.557 8.384 1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.299 9.146 -0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.992 8.215 -1.157 1.00 0.00 H new ATOM 0 HG LEU A 4 3.503 10.731 -0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.201 10.172 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.778 9.019 -1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.743 8.549 0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.841 11.191 1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.344 9.552 2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.556 10.727 1.593 1.00 0.00 H new ATOM 75 N PHE A 5 2.491 7.031 2.289 1.00 0.00 N ATOM 76 CA PHE A 5 1.190 6.362 2.483 1.00 0.00 C ATOM 77 C PHE A 5 0.133 7.433 2.751 1.00 0.00 C ATOM 78 O PHE A 5 0.048 7.985 3.829 1.00 0.00 O ATOM 79 CB PHE A 5 1.410 5.445 3.694 1.00 0.00 C ATOM 80 CG PHE A 5 0.295 4.431 3.781 1.00 0.00 C ATOM 81 CD1 PHE A 5 0.411 3.209 3.107 1.00 0.00 C ATOM 82 CD2 PHE A 5 -0.852 4.710 4.532 1.00 0.00 C ATOM 83 CE1 PHE A 5 -0.622 2.267 3.184 1.00 0.00 C ATOM 84 CE2 PHE A 5 -1.884 3.768 4.608 1.00 0.00 C ATOM 85 CZ PHE A 5 -1.769 2.547 3.934 1.00 0.00 C ATOM 0 H PHE A 5 2.938 7.380 3.137 1.00 0.00 H new ATOM 0 HA PHE A 5 0.846 5.787 1.623 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.370 4.936 3.606 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.446 6.038 4.608 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.297 2.993 2.528 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.941 5.652 5.053 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.533 1.324 2.664 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.770 3.983 5.187 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.566 1.821 3.993 1.00 0.00 H new ATOM 95 N ASN A 6 -0.651 7.754 1.761 1.00 0.00 N ATOM 96 CA ASN A 6 -1.685 8.809 1.934 1.00 0.00 C ATOM 97 C ASN A 6 -1.014 10.121 2.301 1.00 0.00 C ATOM 98 O ASN A 6 -1.268 10.724 3.325 1.00 0.00 O ATOM 99 CB ASN A 6 -2.619 8.316 3.032 1.00 0.00 C ATOM 100 CG ASN A 6 -3.962 9.044 2.925 1.00 0.00 C ATOM 101 OD1 ASN A 6 -4.798 8.710 1.977 1.00 0.00 O flip ATOM 102 ND2 ASN A 6 -4.255 9.925 3.708 1.00 0.00 N flip ATOM 0 H ASN A 6 -0.619 7.328 0.835 1.00 0.00 H new ATOM 0 HA ASN A 6 -2.251 8.991 1.020 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.768 7.240 2.941 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.173 8.495 4.011 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.604 10.187 4.448 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -5.152 10.403 3.625 1.00 0.00 H new ATOM 109 N ASP A 7 -0.150 10.536 1.443 1.00 0.00 N ATOM 110 CA ASP A 7 0.612 11.796 1.639 1.00 0.00 C ATOM 111 C ASP A 7 1.387 11.737 2.954 1.00 0.00 C ATOM 112 O ASP A 7 1.803 12.744 3.494 1.00 0.00 O ATOM 113 CB ASP A 7 -0.396 12.940 1.635 1.00 0.00 C ATOM 114 CG ASP A 7 -1.652 12.560 0.840 1.00 0.00 C ATOM 115 OD1 ASP A 7 -1.521 12.280 -0.341 1.00 0.00 O ATOM 116 OD2 ASP A 7 -2.721 12.553 1.427 1.00 0.00 O ATOM 0 H ASP A 7 0.074 10.042 0.579 1.00 0.00 H new ATOM 0 HA ASP A 7 1.342 11.946 0.844 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.671 13.191 2.659 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.059 13.830 1.200 1.00 0.00 H new ATOM 121 N GLN A 8 1.616 10.556 3.451 1.00 0.00 N ATOM 122 CA GLN A 8 2.406 10.419 4.708 1.00 0.00 C ATOM 123 C GLN A 8 3.699 9.674 4.401 1.00 0.00 C ATOM 124 O GLN A 8 3.686 8.551 3.957 1.00 0.00 O ATOM 125 CB GLN A 8 1.538 9.601 5.652 1.00 0.00 C ATOM 126 CG GLN A 8 0.171 10.262 5.770 1.00 0.00 C ATOM 127 CD GLN A 8 -0.033 10.778 7.197 1.00 0.00 C ATOM 128 OE1 GLN A 8 -0.154 11.968 7.413 1.00 0.00 O ATOM 129 NE2 GLN A 8 -0.079 9.928 8.185 1.00 0.00 N ATOM 0 H GLN A 8 1.292 9.679 3.043 1.00 0.00 H new ATOM 0 HA GLN A 8 2.666 11.383 5.145 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.432 8.583 5.278 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.009 9.533 6.633 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.093 11.086 5.061 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.612 9.547 5.516 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.023 8.929 8.004 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.217 10.262 9.139 1.00 0.00 H new ATOM 138 N ALA A 9 4.818 10.286 4.618 1.00 0.00 N ATOM 139 CA ALA A 9 6.096 9.586 4.308 1.00 0.00 C ATOM 140 C ALA A 9 6.356 8.458 5.312 1.00 0.00 C ATOM 141 O ALA A 9 5.966 8.523 6.461 1.00 0.00 O ATOM 142 CB ALA A 9 7.176 10.658 4.386 1.00 0.00 C ATOM 0 H ALA A 9 4.911 11.230 4.992 1.00 0.00 H new ATOM 0 HA ALA A 9 6.074 9.116 3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.147 10.213 4.168 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.964 11.441 3.658 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.190 11.088 5.388 1.00 0.00 H new ATOM 148 N MET A 10 6.991 7.410 4.861 1.00 0.00 N ATOM 149 CA MET A 10 7.265 6.237 5.758 1.00 0.00 C ATOM 150 C MET A 10 8.582 5.559 5.420 1.00 0.00 C ATOM 151 O MET A 10 9.251 5.904 4.480 1.00 0.00 O ATOM 152 CB MET A 10 6.205 5.223 5.399 1.00 0.00 C ATOM 153 CG MET A 10 5.767 4.437 6.626 1.00 0.00 C ATOM 154 SD MET A 10 4.399 5.289 7.443 1.00 0.00 S ATOM 155 CE MET A 10 3.167 4.988 6.157 1.00 0.00 C ATOM 0 H MET A 10 7.336 7.310 3.906 1.00 0.00 H new ATOM 0 HA MET A 10 7.282 6.568 6.797 1.00 0.00 H new ATOM 0 HB2 MET A 10 5.345 5.730 4.961 1.00 0.00 H new ATOM 0 HB3 MET A 10 6.591 4.539 4.643 1.00 0.00 H new ATOM 0 HG2 MET A 10 5.460 3.432 6.335 1.00 0.00 H new ATOM 0 HG3 MET A 10 6.603 4.327 7.316 1.00 0.00 H new ATOM 0 HE1 MET A 10 2.853 5.938 5.724 1.00 0.00 H new ATOM 0 HE2 MET A 10 3.600 4.360 5.379 1.00 0.00 H new ATOM 0 HE3 MET A 10 2.303 4.485 6.591 1.00 0.00 H new ATOM 165 N GLN A 11 8.893 4.520 6.138 1.00 0.00 N ATOM 166 CA GLN A 11 10.104 3.728 5.825 1.00 0.00 C ATOM 167 C GLN A 11 9.815 2.269 6.132 1.00 0.00 C ATOM 168 O GLN A 11 9.491 1.894 7.241 1.00 0.00 O ATOM 169 CB GLN A 11 11.250 4.229 6.688 1.00 0.00 C ATOM 170 CG GLN A 11 10.886 5.560 7.356 1.00 0.00 C ATOM 171 CD GLN A 11 12.064 6.079 8.184 1.00 0.00 C ATOM 172 OE1 GLN A 11 11.974 6.176 9.391 1.00 0.00 O ATOM 173 NE2 GLN A 11 13.171 6.427 7.584 1.00 0.00 N ATOM 0 H GLN A 11 8.353 4.185 6.936 1.00 0.00 H new ATOM 0 HA GLN A 11 10.376 3.831 4.774 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.488 3.487 7.450 1.00 0.00 H new ATOM 0 HB3 GLN A 11 12.143 4.356 6.076 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.615 6.294 6.597 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.014 5.427 7.996 1.00 0.00 H new ATOM 0 HE21 GLN A 11 13.249 6.346 6.570 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.958 6.779 8.129 1.00 0.00 H new ATOM 182 N CYS A 12 9.908 1.460 5.138 1.00 0.00 N ATOM 183 CA CYS A 12 9.619 0.003 5.313 1.00 0.00 C ATOM 184 C CYS A 12 10.605 -0.862 4.534 1.00 0.00 C ATOM 185 O CYS A 12 11.704 -0.456 4.215 1.00 0.00 O ATOM 186 CB CYS A 12 8.204 -0.191 4.771 1.00 0.00 C ATOM 187 SG CYS A 12 8.216 -0.008 2.972 1.00 0.00 S ATOM 0 H CYS A 12 10.174 1.735 4.193 1.00 0.00 H new ATOM 0 HA CYS A 12 9.711 -0.295 6.357 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.831 -1.178 5.044 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.529 0.540 5.217 1.00 0.00 H new ATOM 0 HG CYS A 12 8.892 1.054 2.648 1.00 0.00 H new ATOM 193 N ALA A 13 10.219 -2.073 4.268 1.00 0.00 N ATOM 194 CA ALA A 13 11.108 -3.016 3.552 1.00 0.00 C ATOM 195 C ALA A 13 11.038 -2.855 2.033 1.00 0.00 C ATOM 196 O ALA A 13 10.096 -3.279 1.402 1.00 0.00 O ATOM 197 CB ALA A 13 10.577 -4.396 3.937 1.00 0.00 C ATOM 0 H ALA A 13 9.308 -2.455 4.522 1.00 0.00 H new ATOM 0 HA ALA A 13 12.150 -2.847 3.822 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.177 -5.165 3.451 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.635 -4.520 5.018 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.539 -4.489 3.617 1.00 0.00 H new ATOM 203 N ALA A 14 12.037 -2.284 1.427 1.00 0.00 N ATOM 204 CA ALA A 14 12.000 -2.172 -0.057 1.00 0.00 C ATOM 205 C ALA A 14 11.878 -3.571 -0.655 1.00 0.00 C ATOM 206 O ALA A 14 12.471 -4.516 -0.175 1.00 0.00 O ATOM 207 CB ALA A 14 13.330 -1.566 -0.477 1.00 0.00 C ATOM 0 H ALA A 14 12.863 -1.896 1.882 1.00 0.00 H new ATOM 0 HA ALA A 14 11.160 -1.564 -0.394 1.00 0.00 H new ATOM 0 HB1 ALA A 14 13.356 -1.461 -1.562 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.445 -0.585 -0.015 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.144 -2.216 -0.156 1.00 0.00 H new ATOM 213 N GLY A 15 11.121 -3.710 -1.693 1.00 0.00 N ATOM 214 CA GLY A 15 10.961 -5.039 -2.324 1.00 0.00 C ATOM 215 C GLY A 15 9.824 -5.793 -1.638 1.00 0.00 C ATOM 216 O GLY A 15 9.498 -6.908 -1.995 1.00 0.00 O ATOM 0 H GLY A 15 10.600 -2.954 -2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.748 -4.926 -3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.889 -5.606 -2.244 1.00 0.00 H new ATOM 220 N GLN A 16 9.209 -5.186 -0.660 1.00 0.00 N ATOM 221 CA GLN A 16 8.081 -5.856 0.042 1.00 0.00 C ATOM 222 C GLN A 16 6.757 -5.360 -0.558 1.00 0.00 C ATOM 223 O GLN A 16 6.545 -4.172 -0.705 1.00 0.00 O ATOM 224 CB GLN A 16 8.256 -5.454 1.513 1.00 0.00 C ATOM 225 CG GLN A 16 7.240 -4.383 1.928 1.00 0.00 C ATOM 226 CD GLN A 16 7.285 -4.208 3.447 1.00 0.00 C ATOM 227 OE1 GLN A 16 7.072 -3.028 3.957 1.00 0.00 O flip ATOM 228 NE2 GLN A 16 7.516 -5.153 4.174 1.00 0.00 N flip ATOM 0 H GLN A 16 9.440 -4.254 -0.317 1.00 0.00 H new ATOM 0 HA GLN A 16 8.070 -6.941 -0.059 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.140 -6.333 2.148 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.267 -5.078 1.671 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.468 -3.438 1.434 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.238 -4.674 1.613 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.682 -6.076 3.773 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.543 -5.024 5.185 1.00 0.00 H new ATOM 237 N THR A 17 5.884 -6.250 -0.946 1.00 0.00 N ATOM 238 CA THR A 17 4.609 -5.801 -1.572 1.00 0.00 C ATOM 239 C THR A 17 3.836 -4.836 -0.692 1.00 0.00 C ATOM 240 O THR A 17 4.308 -4.299 0.289 1.00 0.00 O ATOM 241 CB THR A 17 3.706 -7.023 -1.739 1.00 0.00 C ATOM 242 OG1 THR A 17 3.054 -7.289 -0.505 1.00 0.00 O ATOM 243 CG2 THR A 17 4.485 -8.256 -2.147 1.00 0.00 C ATOM 0 H THR A 17 5.997 -7.260 -0.857 1.00 0.00 H new ATOM 0 HA THR A 17 4.866 -5.311 -2.511 1.00 0.00 H new ATOM 0 HB THR A 17 2.987 -6.798 -2.527 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.091 -7.389 -0.659 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.802 -9.099 -2.254 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.986 -8.072 -3.098 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.229 -8.486 -1.384 1.00 0.00 H new ATOM 251 N VAL A 18 2.607 -4.684 -1.066 1.00 0.00 N ATOM 252 CA VAL A 18 1.639 -3.837 -0.338 1.00 0.00 C ATOM 253 C VAL A 18 1.154 -4.597 0.862 1.00 0.00 C ATOM 254 O VAL A 18 1.319 -4.196 1.996 1.00 0.00 O ATOM 255 CB VAL A 18 0.510 -3.757 -1.302 1.00 0.00 C ATOM 256 CG1 VAL A 18 -0.581 -2.881 -0.737 1.00 0.00 C ATOM 257 CG2 VAL A 18 1.023 -3.238 -2.631 1.00 0.00 C ATOM 0 H VAL A 18 2.215 -5.138 -1.891 1.00 0.00 H new ATOM 0 HA VAL A 18 2.040 -2.875 -0.018 1.00 0.00 H new ATOM 0 HB VAL A 18 0.083 -4.746 -1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.407 -2.825 -1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.938 -3.304 0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.188 -1.880 -0.558 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.198 -3.178 -3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.455 -2.247 -2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.785 -3.916 -3.017 1.00 0.00 H new ATOM 267 N HIS A 19 0.608 -5.761 0.606 1.00 0.00 N ATOM 268 CA HIS A 19 0.175 -6.620 1.714 1.00 0.00 C ATOM 269 C HIS A 19 1.371 -6.683 2.634 1.00 0.00 C ATOM 270 O HIS A 19 1.272 -6.801 3.845 1.00 0.00 O ATOM 271 CB HIS A 19 -0.066 -7.970 1.044 1.00 0.00 C ATOM 272 CG HIS A 19 -0.835 -8.872 1.971 1.00 0.00 C ATOM 273 ND1 HIS A 19 -2.146 -8.609 2.336 1.00 0.00 N ATOM 274 CD2 HIS A 19 -0.495 -10.038 2.612 1.00 0.00 C ATOM 275 CE1 HIS A 19 -2.544 -9.594 3.160 1.00 0.00 C ATOM 276 NE2 HIS A 19 -1.576 -10.493 3.362 1.00 0.00 N ATOM 0 H HIS A 19 0.450 -6.140 -0.328 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.706 -6.297 2.269 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.620 -7.831 0.115 1.00 0.00 H new ATOM 0 HB3 HIS A 19 0.886 -8.431 0.781 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -2.707 -7.813 2.034 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.465 -10.528 2.545 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -3.527 -9.652 3.605 1.00 0.00 H new ATOM 284 N GLU A 20 2.519 -6.532 2.024 1.00 0.00 N ATOM 285 CA GLU A 20 3.779 -6.520 2.801 1.00 0.00 C ATOM 286 C GLU A 20 3.973 -5.130 3.393 1.00 0.00 C ATOM 287 O GLU A 20 4.360 -4.978 4.534 1.00 0.00 O ATOM 288 CB GLU A 20 4.881 -6.843 1.796 1.00 0.00 C ATOM 289 CG GLU A 20 4.835 -8.332 1.443 1.00 0.00 C ATOM 290 CD GLU A 20 5.392 -9.158 2.605 1.00 0.00 C ATOM 291 OE1 GLU A 20 4.849 -9.058 3.693 1.00 0.00 O ATOM 292 OE2 GLU A 20 6.351 -9.879 2.385 1.00 0.00 O ATOM 0 H GLU A 20 2.631 -6.417 1.017 1.00 0.00 H new ATOM 0 HA GLU A 20 3.781 -7.236 3.623 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.754 -6.242 0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.855 -6.588 2.215 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.809 -8.633 1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.416 -8.519 0.540 1.00 0.00 H new ATOM 299 N LEU A 21 3.691 -4.107 2.628 1.00 0.00 N ATOM 300 CA LEU A 21 3.851 -2.731 3.170 1.00 0.00 C ATOM 301 C LEU A 21 2.850 -2.521 4.309 1.00 0.00 C ATOM 302 O LEU A 21 3.217 -2.256 5.431 1.00 0.00 O ATOM 303 CB LEU A 21 3.539 -1.811 1.976 1.00 0.00 C ATOM 304 CG LEU A 21 3.741 -0.312 2.312 1.00 0.00 C ATOM 305 CD1 LEU A 21 3.959 -0.082 3.804 1.00 0.00 C ATOM 306 CD2 LEU A 21 4.959 0.222 1.567 1.00 0.00 C ATOM 0 H LEU A 21 3.361 -4.166 1.665 1.00 0.00 H new ATOM 0 HA LEU A 21 4.843 -2.535 3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.180 -2.081 1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.510 -1.973 1.656 1.00 0.00 H new ATOM 0 HG LEU A 21 2.834 0.209 2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.096 0.983 3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.091 -0.439 4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.846 -0.625 4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.098 1.276 1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.844 -0.338 1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.807 0.110 0.493 1.00 0.00 H new ATOM 318 N LEU A 22 1.592 -2.653 4.030 1.00 0.00 N ATOM 319 CA LEU A 22 0.567 -2.464 5.090 1.00 0.00 C ATOM 320 C LEU A 22 0.957 -3.203 6.358 1.00 0.00 C ATOM 321 O LEU A 22 1.035 -2.636 7.428 1.00 0.00 O ATOM 322 CB LEU A 22 -0.680 -3.095 4.494 1.00 0.00 C ATOM 323 CG LEU A 22 -1.341 -2.107 3.552 1.00 0.00 C ATOM 324 CD1 LEU A 22 -1.795 -2.822 2.281 1.00 0.00 C ATOM 325 CD2 LEU A 22 -2.541 -1.517 4.267 1.00 0.00 C ATOM 0 H LEU A 22 1.223 -2.885 3.108 1.00 0.00 H new ATOM 0 HA LEU A 22 0.439 -1.417 5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.419 -4.007 3.958 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.372 -3.378 5.287 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.639 -1.322 3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.269 -2.105 1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.932 -3.267 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.509 -3.604 2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.038 -0.801 3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.237 -2.314 4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.211 -1.011 5.175 1.00 0.00 H new ATOM 337 N GLU A 23 1.201 -4.467 6.242 1.00 0.00 N ATOM 338 CA GLU A 23 1.584 -5.249 7.449 1.00 0.00 C ATOM 339 C GLU A 23 2.734 -4.549 8.183 1.00 0.00 C ATOM 340 O GLU A 23 2.736 -4.455 9.396 1.00 0.00 O ATOM 341 CB GLU A 23 2.047 -6.589 6.903 1.00 0.00 C ATOM 342 CG GLU A 23 2.473 -7.497 8.061 1.00 0.00 C ATOM 343 CD GLU A 23 1.574 -8.734 8.106 1.00 0.00 C ATOM 344 OE1 GLU A 23 0.952 -9.028 7.098 1.00 0.00 O ATOM 345 OE2 GLU A 23 1.524 -9.367 9.147 1.00 0.00 O ATOM 0 H GLU A 23 1.154 -4.997 5.372 1.00 0.00 H new ATOM 0 HA GLU A 23 0.764 -5.352 8.160 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.244 -7.059 6.336 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.880 -6.444 6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.514 -7.797 7.937 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.408 -6.954 9.004 1.00 0.00 H new ATOM 352 N GLN A 24 3.700 -4.035 7.465 1.00 0.00 N ATOM 353 CA GLN A 24 4.823 -3.326 8.146 1.00 0.00 C ATOM 354 C GLN A 24 4.260 -2.154 8.926 1.00 0.00 C ATOM 355 O GLN A 24 4.551 -1.942 10.086 1.00 0.00 O ATOM 356 CB GLN A 24 5.688 -2.774 7.018 1.00 0.00 C ATOM 357 CG GLN A 24 6.987 -2.230 7.608 1.00 0.00 C ATOM 358 CD GLN A 24 7.617 -3.290 8.518 1.00 0.00 C ATOM 359 OE1 GLN A 24 7.625 -4.461 8.191 1.00 0.00 O ATOM 360 NE2 GLN A 24 8.145 -2.929 9.657 1.00 0.00 N ATOM 0 H GLN A 24 3.759 -4.075 6.448 1.00 0.00 H new ATOM 0 HA GLN A 24 5.374 -3.980 8.821 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.904 -3.557 6.291 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.156 -1.984 6.487 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.679 -1.964 6.809 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.789 -1.320 8.174 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.139 -1.947 9.933 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.563 -3.629 10.270 1.00 0.00 H new ATOM 369 N LEU A 25 3.451 -1.398 8.260 1.00 0.00 N ATOM 370 CA LEU A 25 2.819 -0.214 8.863 1.00 0.00 C ATOM 371 C LEU A 25 1.807 -0.647 9.917 1.00 0.00 C ATOM 372 O LEU A 25 1.397 0.141 10.741 1.00 0.00 O ATOM 373 CB LEU A 25 2.162 0.467 7.669 1.00 0.00 C ATOM 374 CG LEU A 25 3.238 1.242 6.909 1.00 0.00 C ATOM 375 CD1 LEU A 25 4.391 0.333 6.506 1.00 0.00 C ATOM 376 CD2 LEU A 25 2.639 1.892 5.659 1.00 0.00 C ATOM 0 H LEU A 25 3.194 -1.561 7.286 1.00 0.00 H new ATOM 0 HA LEU A 25 3.509 0.451 9.383 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.696 -0.273 7.019 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.373 1.141 8.003 1.00 0.00 H new ATOM 0 HG LEU A 25 3.623 2.015 7.574 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.140 0.913 5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.841 -0.101 7.399 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.018 -0.464 5.863 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.416 2.441 5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.229 1.120 5.008 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.845 2.579 5.951 1.00 0.00 H new ATOM 388 N ASP A 26 1.405 -1.900 9.864 1.00 0.00 N ATOM 389 CA ASP A 26 0.407 -2.476 10.826 1.00 0.00 C ATOM 390 C ASP A 26 -0.985 -2.350 10.227 1.00 0.00 C ATOM 391 O ASP A 26 -1.953 -2.054 10.900 1.00 0.00 O ATOM 392 CB ASP A 26 0.526 -1.682 12.123 1.00 0.00 C ATOM 393 CG ASP A 26 -0.145 -2.449 13.261 1.00 0.00 C ATOM 394 OD1 ASP A 26 -0.401 -3.627 13.082 1.00 0.00 O ATOM 395 OD2 ASP A 26 -0.390 -1.846 14.293 1.00 0.00 O ATOM 0 H ASP A 26 1.740 -2.567 9.169 1.00 0.00 H new ATOM 0 HA ASP A 26 0.592 -3.532 11.023 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.576 -1.508 12.359 1.00 0.00 H new ATOM 0 HB3 ASP A 26 0.059 -0.704 12.006 1.00 0.00 H new ATOM 400 N GLN A 27 -1.076 -2.575 8.948 1.00 0.00 N ATOM 401 CA GLN A 27 -2.384 -2.479 8.252 1.00 0.00 C ATOM 402 C GLN A 27 -2.694 -3.840 7.615 1.00 0.00 C ATOM 403 O GLN A 27 -1.832 -4.465 7.031 1.00 0.00 O ATOM 404 CB GLN A 27 -2.165 -1.392 7.195 1.00 0.00 C ATOM 405 CG GLN A 27 -1.426 -0.203 7.832 1.00 0.00 C ATOM 406 CD GLN A 27 -2.293 1.053 7.744 1.00 0.00 C ATOM 407 OE1 GLN A 27 -2.763 1.552 8.747 1.00 0.00 O ATOM 408 NE2 GLN A 27 -2.530 1.585 6.579 1.00 0.00 N ATOM 0 H GLN A 27 -0.289 -2.824 8.349 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.223 -2.232 8.902 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.586 -1.790 6.362 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.123 -1.065 6.790 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.194 -0.423 8.874 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.477 -0.037 7.322 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.135 1.166 5.737 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.110 2.421 6.509 1.00 0.00 H new ATOM 417 N ARG A 28 -3.897 -4.330 7.752 1.00 0.00 N ATOM 418 CA ARG A 28 -4.209 -5.677 7.182 1.00 0.00 C ATOM 419 C ARG A 28 -5.013 -5.582 5.883 1.00 0.00 C ATOM 420 O ARG A 28 -4.978 -6.480 5.068 1.00 0.00 O ATOM 421 CB ARG A 28 -5.004 -6.373 8.279 1.00 0.00 C ATOM 422 CG ARG A 28 -4.069 -6.649 9.455 1.00 0.00 C ATOM 423 CD ARG A 28 -3.918 -5.383 10.300 1.00 0.00 C ATOM 424 NE ARG A 28 -3.789 -5.871 11.701 1.00 0.00 N ATOM 425 CZ ARG A 28 -4.825 -5.856 12.494 1.00 0.00 C ATOM 426 NH1 ARG A 28 -6.017 -6.074 12.015 1.00 0.00 N ATOM 427 NH2 ARG A 28 -4.670 -5.626 13.770 1.00 0.00 N ATOM 0 H ARG A 28 -4.670 -3.864 8.227 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.305 -6.222 6.910 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.838 -5.748 8.597 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.429 -7.305 7.906 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.466 -7.460 10.065 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.094 -6.973 9.089 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.041 -4.809 9.999 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.782 -4.728 10.188 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.891 -6.217 12.040 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.141 -6.257 11.019 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.826 -6.062 12.636 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.738 -5.458 14.148 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.481 -5.615 14.388 1.00 0.00 H new ATOM 441 N GLN A 29 -5.727 -4.507 5.686 1.00 0.00 N ATOM 442 CA GLN A 29 -6.529 -4.327 4.443 1.00 0.00 C ATOM 443 C GLN A 29 -7.802 -5.168 4.499 1.00 0.00 C ATOM 444 O GLN A 29 -8.003 -6.063 3.703 1.00 0.00 O ATOM 445 CB GLN A 29 -5.648 -4.801 3.290 1.00 0.00 C ATOM 446 CG GLN A 29 -4.195 -4.359 3.491 1.00 0.00 C ATOM 447 CD GLN A 29 -3.278 -5.575 3.332 1.00 0.00 C ATOM 448 OE1 GLN A 29 -3.274 -6.217 2.298 1.00 0.00 O ATOM 449 NE2 GLN A 29 -2.502 -5.924 4.319 1.00 0.00 N ATOM 0 H GLN A 29 -5.789 -3.732 6.347 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.827 -3.286 4.321 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.694 -5.887 3.215 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.027 -4.400 2.350 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.931 -3.591 2.764 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.069 -3.919 4.480 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.506 -5.386 5.185 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.891 -6.735 4.225 1.00 0.00 H new ATOM 458 N ALA A 30 -8.667 -4.882 5.426 1.00 0.00 N ATOM 459 CA ALA A 30 -9.931 -5.657 5.523 1.00 0.00 C ATOM 460 C ALA A 30 -10.921 -5.136 4.484 1.00 0.00 C ATOM 461 O ALA A 30 -11.842 -5.816 4.078 1.00 0.00 O ATOM 462 CB ALA A 30 -10.433 -5.385 6.935 1.00 0.00 C ATOM 0 H ALA A 30 -8.554 -4.145 6.122 1.00 0.00 H new ATOM 0 HA ALA A 30 -9.801 -6.723 5.337 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.369 -5.920 7.098 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.690 -5.725 7.657 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.600 -4.315 7.062 1.00 0.00 H new ATOM 468 N GLY A 31 -10.722 -3.925 4.056 1.00 0.00 N ATOM 469 CA GLY A 31 -11.619 -3.313 3.041 1.00 0.00 C ATOM 470 C GLY A 31 -11.019 -1.970 2.633 1.00 0.00 C ATOM 471 O GLY A 31 -11.561 -0.921 2.916 1.00 0.00 O ATOM 0 H GLY A 31 -9.962 -3.322 4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.716 -3.967 2.174 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.620 -3.175 3.450 1.00 0.00 H new ATOM 475 N ALA A 32 -9.882 -1.998 1.994 1.00 0.00 N ATOM 476 CA ALA A 32 -9.220 -0.727 1.589 1.00 0.00 C ATOM 477 C ALA A 32 -8.642 -0.834 0.181 1.00 0.00 C ATOM 478 O ALA A 32 -8.156 -1.871 -0.225 1.00 0.00 O ATOM 479 CB ALA A 32 -8.071 -0.554 2.583 1.00 0.00 C ATOM 0 H ALA A 32 -9.382 -2.848 1.735 1.00 0.00 H new ATOM 0 HA ALA A 32 -9.924 0.105 1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.528 0.363 2.355 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.471 -0.497 3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.394 -1.405 2.508 1.00 0.00 H new ATOM 485 N ALA A 33 -8.640 0.245 -0.546 1.00 0.00 N ATOM 486 CA ALA A 33 -8.032 0.219 -1.905 1.00 0.00 C ATOM 487 C ALA A 33 -6.922 1.265 -1.915 1.00 0.00 C ATOM 488 O ALA A 33 -6.937 2.186 -1.126 1.00 0.00 O ATOM 489 CB ALA A 33 -9.160 0.552 -2.886 1.00 0.00 C ATOM 0 H ALA A 33 -9.032 1.142 -0.260 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.597 -0.741 -2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.770 0.547 -3.904 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.951 -0.192 -2.797 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.563 1.539 -2.656 1.00 0.00 H new ATOM 495 N LEU A 34 -5.928 1.123 -2.739 1.00 0.00 N ATOM 496 CA LEU A 34 -4.827 2.117 -2.684 1.00 0.00 C ATOM 497 C LEU A 34 -4.223 2.362 -4.070 1.00 0.00 C ATOM 498 O LEU A 34 -4.239 1.502 -4.931 1.00 0.00 O ATOM 499 CB LEU A 34 -3.819 1.480 -1.705 1.00 0.00 C ATOM 500 CG LEU A 34 -2.380 1.569 -2.228 1.00 0.00 C ATOM 501 CD1 LEU A 34 -1.415 1.221 -1.094 1.00 0.00 C ATOM 502 CD2 LEU A 34 -2.181 0.576 -3.377 1.00 0.00 C ATOM 0 H LEU A 34 -5.829 0.381 -3.432 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.154 3.103 -2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.886 1.980 -0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.082 0.435 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.188 2.580 -2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.389 1.282 -1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.551 1.924 -0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.616 0.209 -0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.157 0.644 -3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.372 -0.436 -3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.873 0.812 -4.186 1.00 0.00 H new ATOM 514 N ALA A 35 -3.674 3.527 -4.281 1.00 0.00 N ATOM 515 CA ALA A 35 -3.052 3.822 -5.600 1.00 0.00 C ATOM 516 C ALA A 35 -1.583 4.163 -5.400 1.00 0.00 C ATOM 517 O ALA A 35 -1.243 5.149 -4.780 1.00 0.00 O ATOM 518 CB ALA A 35 -3.816 5.026 -6.152 1.00 0.00 C ATOM 0 H ALA A 35 -3.630 4.284 -3.599 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.102 2.975 -6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.410 5.300 -7.126 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.870 4.771 -6.258 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.713 5.867 -5.467 1.00 0.00 H new ATOM 524 N ILE A 36 -0.704 3.353 -5.908 1.00 0.00 N ATOM 525 CA ILE A 36 0.740 3.653 -5.718 1.00 0.00 C ATOM 526 C ILE A 36 1.313 4.330 -6.958 1.00 0.00 C ATOM 527 O ILE A 36 1.128 3.883 -8.067 1.00 0.00 O ATOM 528 CB ILE A 36 1.419 2.311 -5.477 1.00 0.00 C ATOM 529 CG1 ILE A 36 0.758 1.621 -4.280 1.00 0.00 C ATOM 530 CG2 ILE A 36 2.901 2.559 -5.180 1.00 0.00 C ATOM 531 CD1 ILE A 36 1.288 0.194 -4.146 1.00 0.00 C ATOM 0 H ILE A 36 -0.916 2.508 -6.439 1.00 0.00 H new ATOM 0 HA ILE A 36 0.899 4.335 -4.883 1.00 0.00 H new ATOM 0 HB ILE A 36 1.322 1.674 -6.356 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.962 2.181 -3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.324 1.606 -4.410 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.401 1.607 -5.005 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.363 3.061 -6.030 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.994 3.186 -4.293 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.814 -0.292 -3.293 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.061 -0.365 -5.054 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.367 0.219 -3.996 1.00 0.00 H new ATOM 543 N ASN A 37 2.004 5.413 -6.780 1.00 0.00 N ATOM 544 CA ASN A 37 2.572 6.117 -7.956 1.00 0.00 C ATOM 545 C ASN A 37 1.453 6.432 -8.953 1.00 0.00 C ATOM 546 O ASN A 37 1.688 6.544 -10.134 1.00 0.00 O ATOM 547 CB ASN A 37 3.584 5.141 -8.559 1.00 0.00 C ATOM 548 CG ASN A 37 4.893 5.215 -7.771 1.00 0.00 C ATOM 549 OD1 ASN A 37 5.225 6.247 -7.221 1.00 0.00 O ATOM 550 ND2 ASN A 37 5.655 4.159 -7.690 1.00 0.00 N ATOM 0 H ASN A 37 2.200 5.841 -5.875 1.00 0.00 H new ATOM 0 HA ASN A 37 3.044 7.064 -7.692 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.187 4.126 -8.532 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.763 5.386 -9.606 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.529 4.200 -7.165 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.377 3.293 -8.151 1.00 0.00 H new ATOM 557 N GLN A 38 0.242 6.573 -8.457 1.00 0.00 N ATOM 558 CA GLN A 38 -0.953 6.891 -9.317 1.00 0.00 C ATOM 559 C GLN A 38 -1.573 5.615 -9.901 1.00 0.00 C ATOM 560 O GLN A 38 -2.601 5.661 -10.547 1.00 0.00 O ATOM 561 CB GLN A 38 -0.469 7.854 -10.422 1.00 0.00 C ATOM 562 CG GLN A 38 -0.151 7.097 -11.719 1.00 0.00 C ATOM 563 CD GLN A 38 0.971 7.821 -12.467 1.00 0.00 C ATOM 564 OE1 GLN A 38 0.726 8.360 -13.630 1.00 0.00 O flip ATOM 565 NE2 GLN A 38 2.085 7.900 -11.986 1.00 0.00 N flip ATOM 0 H GLN A 38 0.026 6.478 -7.465 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.741 7.361 -8.728 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.235 8.605 -10.615 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.419 8.386 -10.081 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.149 6.074 -11.492 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.041 7.036 -12.345 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.279 7.480 -11.077 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.825 8.387 -12.491 1.00 0.00 H new ATOM 574 N GLN A 39 -0.984 4.476 -9.669 1.00 0.00 N ATOM 575 CA GLN A 39 -1.587 3.224 -10.207 1.00 0.00 C ATOM 576 C GLN A 39 -2.547 2.621 -9.173 1.00 0.00 C ATOM 577 O GLN A 39 -2.139 2.048 -8.184 1.00 0.00 O ATOM 578 CB GLN A 39 -0.410 2.276 -10.497 1.00 0.00 C ATOM 579 CG GLN A 39 0.120 1.651 -9.202 1.00 0.00 C ATOM 580 CD GLN A 39 1.636 1.470 -9.305 1.00 0.00 C ATOM 581 OE1 GLN A 39 2.364 2.429 -9.470 1.00 0.00 O ATOM 582 NE2 GLN A 39 2.147 0.272 -9.216 1.00 0.00 N ATOM 0 H GLN A 39 -0.122 4.357 -9.137 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.168 3.404 -11.111 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.731 1.490 -11.180 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.390 2.824 -10.995 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -0.124 2.288 -8.352 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.361 0.688 -9.027 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.537 -0.534 -9.077 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.156 0.142 -9.285 1.00 0.00 H new ATOM 591 N ILE A 40 -3.827 2.742 -9.381 1.00 0.00 N ATOM 592 CA ILE A 40 -4.770 2.158 -8.388 1.00 0.00 C ATOM 593 C ILE A 40 -4.801 0.645 -8.563 1.00 0.00 C ATOM 594 O ILE A 40 -5.225 0.137 -9.582 1.00 0.00 O ATOM 595 CB ILE A 40 -6.152 2.742 -8.701 1.00 0.00 C ATOM 596 CG1 ILE A 40 -6.277 4.136 -8.087 1.00 0.00 C ATOM 597 CG2 ILE A 40 -7.237 1.831 -8.104 1.00 0.00 C ATOM 598 CD1 ILE A 40 -5.765 5.186 -9.074 1.00 0.00 C ATOM 0 H ILE A 40 -4.256 3.210 -10.179 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.471 2.386 -7.365 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.276 2.809 -9.782 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.317 4.339 -7.833 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.707 4.187 -7.160 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -8.221 2.244 -8.325 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.155 0.835 -8.539 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.105 1.767 -7.024 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.857 6.177 -8.631 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.719 4.988 -9.306 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.354 5.142 -9.990 1.00 0.00 H new ATOM 610 N VAL A 41 -4.370 -0.080 -7.578 1.00 0.00 N ATOM 611 CA VAL A 41 -4.395 -1.557 -7.698 1.00 0.00 C ATOM 612 C VAL A 41 -5.415 -2.145 -6.769 1.00 0.00 C ATOM 613 O VAL A 41 -5.605 -1.676 -5.665 1.00 0.00 O ATOM 614 CB VAL A 41 -3.046 -2.042 -7.243 1.00 0.00 C ATOM 615 CG1 VAL A 41 -2.966 -3.546 -7.486 1.00 0.00 C ATOM 616 CG2 VAL A 41 -1.963 -1.327 -8.033 1.00 0.00 C ATOM 0 H VAL A 41 -4.003 0.283 -6.698 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.634 -1.845 -8.722 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.904 -1.834 -6.183 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.993 -3.916 -7.162 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.752 -4.048 -6.922 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.096 -3.750 -8.549 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.984 -1.676 -7.706 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.088 -1.539 -9.095 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.040 -0.253 -7.866 1.00 0.00 H new ATOM 626 N PRO A 42 -6.011 -3.182 -7.226 1.00 0.00 N ATOM 627 CA PRO A 42 -6.990 -3.867 -6.400 1.00 0.00 C ATOM 628 C PRO A 42 -6.328 -4.622 -5.256 1.00 0.00 C ATOM 629 O PRO A 42 -5.452 -5.444 -5.435 1.00 0.00 O ATOM 630 CB PRO A 42 -7.667 -4.814 -7.347 1.00 0.00 C ATOM 631 CG PRO A 42 -6.699 -5.036 -8.462 1.00 0.00 C ATOM 632 CD PRO A 42 -5.848 -3.803 -8.546 1.00 0.00 C ATOM 0 HA PRO A 42 -7.685 -3.174 -5.926 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.914 -5.753 -6.851 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.602 -4.394 -7.718 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.086 -5.917 -8.273 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.224 -5.209 -9.402 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.805 -4.048 -8.748 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.180 -3.140 -9.345 1.00 0.00 H new ATOM 640 N ARG A 43 -6.785 -4.322 -4.093 1.00 0.00 N ATOM 641 CA ARG A 43 -6.283 -4.965 -2.831 1.00 0.00 C ATOM 642 C ARG A 43 -5.654 -6.333 -3.061 1.00 0.00 C ATOM 643 O ARG A 43 -4.659 -6.687 -2.462 1.00 0.00 O ATOM 644 CB ARG A 43 -7.526 -5.137 -1.958 1.00 0.00 C ATOM 645 CG ARG A 43 -8.750 -5.520 -2.801 1.00 0.00 C ATOM 646 CD ARG A 43 -9.693 -6.379 -1.954 1.00 0.00 C ATOM 647 NE ARG A 43 -10.088 -7.511 -2.840 1.00 0.00 N ATOM 648 CZ ARG A 43 -11.245 -8.097 -2.677 1.00 0.00 C ATOM 649 NH1 ARG A 43 -11.803 -8.116 -1.497 1.00 0.00 N ATOM 650 NH2 ARG A 43 -11.840 -8.662 -3.695 1.00 0.00 N ATOM 0 H ARG A 43 -7.518 -3.629 -3.940 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.504 -4.347 -2.386 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.343 -5.907 -1.208 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.727 -4.210 -1.421 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.265 -4.623 -3.145 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.438 -6.069 -3.690 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.196 -6.738 -1.053 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.564 -5.808 -1.632 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.455 -7.829 -3.574 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.336 -7.674 -0.705 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.706 -8.573 -1.367 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.401 -8.645 -4.616 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.743 -9.119 -3.568 1.00 0.00 H new ATOM 664 N GLU A 44 -6.251 -7.110 -3.892 1.00 0.00 N ATOM 665 CA GLU A 44 -5.748 -8.470 -4.160 1.00 0.00 C ATOM 666 C GLU A 44 -4.272 -8.459 -4.562 1.00 0.00 C ATOM 667 O GLU A 44 -3.481 -9.243 -4.076 1.00 0.00 O ATOM 668 CB GLU A 44 -6.650 -8.903 -5.297 1.00 0.00 C ATOM 669 CG GLU A 44 -6.019 -10.055 -6.085 1.00 0.00 C ATOM 670 CD GLU A 44 -6.075 -11.334 -5.253 1.00 0.00 C ATOM 671 OE1 GLU A 44 -6.894 -11.394 -4.351 1.00 0.00 O ATOM 672 OE2 GLU A 44 -5.299 -12.233 -5.532 1.00 0.00 O ATOM 0 H GLU A 44 -7.090 -6.856 -4.413 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.777 -9.137 -3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.617 -9.214 -4.902 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.834 -8.059 -5.962 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.549 -10.198 -7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.985 -9.816 -6.334 1.00 0.00 H new ATOM 679 N GLN A 45 -3.898 -7.592 -5.452 1.00 0.00 N ATOM 680 CA GLN A 45 -2.474 -7.547 -5.897 1.00 0.00 C ATOM 681 C GLN A 45 -1.542 -7.104 -4.768 1.00 0.00 C ATOM 682 O GLN A 45 -0.382 -7.454 -4.757 1.00 0.00 O ATOM 683 CB GLN A 45 -2.450 -6.540 -7.041 1.00 0.00 C ATOM 684 CG GLN A 45 -2.957 -7.205 -8.321 1.00 0.00 C ATOM 685 CD GLN A 45 -1.782 -7.434 -9.275 1.00 0.00 C ATOM 686 OE1 GLN A 45 -0.737 -6.834 -9.124 1.00 0.00 O ATOM 687 NE2 GLN A 45 -1.911 -8.284 -10.257 1.00 0.00 N ATOM 0 H GLN A 45 -4.513 -6.909 -5.895 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.122 -8.532 -6.203 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.073 -5.680 -6.795 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.436 -6.167 -7.190 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.438 -8.154 -8.085 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.709 -6.576 -8.797 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.789 -8.788 -10.383 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.134 -8.445 -10.898 1.00 0.00 H new ATOM 696 N TRP A 46 -2.021 -6.333 -3.830 1.00 0.00 N ATOM 697 CA TRP A 46 -1.141 -5.883 -2.726 1.00 0.00 C ATOM 698 C TRP A 46 -0.249 -7.028 -2.261 1.00 0.00 C ATOM 699 O TRP A 46 0.871 -6.828 -1.833 1.00 0.00 O ATOM 700 CB TRP A 46 -2.091 -5.501 -1.592 1.00 0.00 C ATOM 701 CG TRP A 46 -2.906 -4.300 -1.956 1.00 0.00 C ATOM 702 CD1 TRP A 46 -2.973 -3.733 -3.184 1.00 0.00 C ATOM 703 CD2 TRP A 46 -3.784 -3.519 -1.096 1.00 0.00 C ATOM 704 NE1 TRP A 46 -3.838 -2.651 -3.127 1.00 0.00 N ATOM 705 CE2 TRP A 46 -4.363 -2.480 -1.858 1.00 0.00 C ATOM 706 CE3 TRP A 46 -4.128 -3.615 0.263 1.00 0.00 C ATOM 707 CZ2 TRP A 46 -5.258 -1.570 -1.285 1.00 0.00 C ATOM 708 CZ3 TRP A 46 -5.026 -2.699 0.837 1.00 0.00 C ATOM 709 CH2 TRP A 46 -5.589 -1.680 0.062 1.00 0.00 C ATOM 0 H TRP A 46 -2.983 -5.998 -3.784 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.496 -5.060 -3.035 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.751 -6.339 -1.368 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.519 -5.296 -0.687 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.441 -4.068 -4.062 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.060 -2.054 -3.923 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.699 -4.398 0.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.691 -0.784 -1.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -5.283 -2.782 1.883 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -6.279 -0.980 0.508 1.00 0.00 H new ATOM 720 N ALA A 47 -0.748 -8.221 -2.323 1.00 0.00 N ATOM 721 CA ALA A 47 0.042 -9.393 -1.867 1.00 0.00 C ATOM 722 C ALA A 47 1.086 -9.793 -2.909 1.00 0.00 C ATOM 723 O ALA A 47 2.026 -10.504 -2.618 1.00 0.00 O ATOM 724 CB ALA A 47 -1.001 -10.484 -1.717 1.00 0.00 C ATOM 0 H ALA A 47 -1.680 -8.440 -2.674 1.00 0.00 H new ATOM 0 HA ALA A 47 0.595 -9.195 -0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.521 -11.403 -1.381 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.747 -10.176 -0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.486 -10.658 -2.678 1.00 0.00 H new ATOM 730 N GLN A 48 0.933 -9.337 -4.117 1.00 0.00 N ATOM 731 CA GLN A 48 1.917 -9.684 -5.173 1.00 0.00 C ATOM 732 C GLN A 48 2.432 -8.396 -5.808 1.00 0.00 C ATOM 733 O GLN A 48 3.026 -8.398 -6.868 1.00 0.00 O ATOM 734 CB GLN A 48 1.130 -10.525 -6.178 1.00 0.00 C ATOM 735 CG GLN A 48 0.623 -11.788 -5.478 1.00 0.00 C ATOM 736 CD GLN A 48 -0.782 -12.129 -5.983 1.00 0.00 C ATOM 737 OE1 GLN A 48 -1.058 -12.024 -7.161 1.00 0.00 O ATOM 738 NE2 GLN A 48 -1.685 -12.545 -5.136 1.00 0.00 N ATOM 0 H GLN A 48 0.166 -8.737 -4.419 1.00 0.00 H new ATOM 0 HA GLN A 48 2.784 -10.229 -4.799 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.292 -9.952 -6.575 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.763 -10.791 -7.024 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.301 -12.619 -5.671 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.605 -11.635 -4.399 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.454 -12.633 -4.146 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.621 -12.782 -5.464 1.00 0.00 H new ATOM 747 N HIS A 49 2.189 -7.291 -5.159 1.00 0.00 N ATOM 748 CA HIS A 49 2.633 -5.983 -5.701 1.00 0.00 C ATOM 749 C HIS A 49 3.848 -5.463 -4.928 1.00 0.00 C ATOM 750 O HIS A 49 3.729 -4.616 -4.067 1.00 0.00 O ATOM 751 CB HIS A 49 1.426 -5.079 -5.486 1.00 0.00 C ATOM 752 CG HIS A 49 1.692 -3.733 -6.104 1.00 0.00 C ATOM 753 ND1 HIS A 49 2.851 -3.132 -6.527 1.00 0.00 N flip ATOM 754 CD2 HIS A 49 0.679 -2.819 -6.361 1.00 0.00 C flip ATOM 755 CE1 HIS A 49 2.568 -1.871 -7.039 1.00 0.00 C flip ATOM 756 NE2 HIS A 49 1.247 -1.730 -6.915 1.00 0.00 N flip ATOM 0 H HIS A 49 1.696 -7.241 -4.267 1.00 0.00 H new ATOM 0 HA HIS A 49 2.941 -6.036 -6.745 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.538 -5.527 -5.932 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.226 -4.969 -4.420 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.372 -2.956 -6.155 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.268 -1.158 -7.449 1.00 0.00 H new ATOM 0 HE2 HIS A 49 0.730 -0.899 -7.204 1.00 0.00 H new ATOM 764 N ILE A 50 5.013 -5.971 -5.237 1.00 0.00 N ATOM 765 CA ILE A 50 6.254 -5.539 -4.533 1.00 0.00 C ATOM 766 C ILE A 50 6.404 -4.013 -4.548 1.00 0.00 C ATOM 767 O ILE A 50 6.302 -3.367 -5.572 1.00 0.00 O ATOM 768 CB ILE A 50 7.390 -6.188 -5.322 1.00 0.00 C ATOM 769 CG1 ILE A 50 7.314 -7.708 -5.162 1.00 0.00 C ATOM 770 CG2 ILE A 50 8.738 -5.680 -4.803 1.00 0.00 C ATOM 771 CD1 ILE A 50 7.628 -8.094 -3.717 1.00 0.00 C ATOM 0 H ILE A 50 5.157 -6.677 -5.958 1.00 0.00 H new ATOM 0 HA ILE A 50 6.245 -5.834 -3.484 1.00 0.00 H new ATOM 0 HB ILE A 50 7.294 -5.928 -6.376 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.320 -8.062 -5.435 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.020 -8.190 -5.838 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.545 -6.146 -5.369 1.00 0.00 H new ATOM 0 HG22 ILE A 50 8.789 -4.598 -4.922 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.841 -5.934 -3.748 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.572 -9.177 -3.609 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.631 -7.755 -3.460 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.904 -7.625 -3.050 1.00 0.00 H new ATOM 783 N VAL A 51 6.638 -3.454 -3.396 1.00 0.00 N ATOM 784 CA VAL A 51 6.797 -1.973 -3.261 1.00 0.00 C ATOM 785 C VAL A 51 8.281 -1.588 -3.345 1.00 0.00 C ATOM 786 O VAL A 51 9.147 -2.338 -2.938 1.00 0.00 O ATOM 787 CB VAL A 51 6.240 -1.659 -1.874 1.00 0.00 C ATOM 788 CG1 VAL A 51 6.036 -0.152 -1.740 1.00 0.00 C ATOM 789 CG2 VAL A 51 4.897 -2.372 -1.691 1.00 0.00 C ATOM 0 H VAL A 51 6.728 -3.969 -2.520 1.00 0.00 H new ATOM 0 HA VAL A 51 6.285 -1.421 -4.050 1.00 0.00 H new ATOM 0 HB VAL A 51 6.941 -2.002 -1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.638 0.075 -0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.990 0.358 -1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.333 0.189 -2.500 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.498 -2.149 -0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.196 -2.027 -2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.040 -3.448 -1.790 1.00 0.00 H new ATOM 799 N GLN A 52 8.584 -0.438 -3.890 1.00 0.00 N ATOM 800 CA GLN A 52 10.018 -0.023 -4.021 1.00 0.00 C ATOM 801 C GLN A 52 10.386 1.129 -3.092 1.00 0.00 C ATOM 802 O GLN A 52 9.558 1.937 -2.721 1.00 0.00 O ATOM 803 CB GLN A 52 10.147 0.482 -5.446 1.00 0.00 C ATOM 804 CG GLN A 52 10.056 -0.695 -6.419 1.00 0.00 C ATOM 805 CD GLN A 52 11.409 -0.894 -7.101 1.00 0.00 C ATOM 806 OE1 GLN A 52 12.116 0.059 -7.362 1.00 0.00 O ATOM 807 NE2 GLN A 52 11.802 -2.101 -7.404 1.00 0.00 N ATOM 0 H GLN A 52 7.904 0.232 -4.250 1.00 0.00 H new ATOM 0 HA GLN A 52 10.669 -0.861 -3.771 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.359 1.204 -5.659 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.097 1.000 -5.574 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.768 -1.601 -5.886 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.284 -0.506 -7.165 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.208 -2.901 -7.185 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.703 -2.245 -7.860 1.00 0.00 H new ATOM 816 N ASP A 53 11.646 1.236 -2.760 1.00 0.00 N ATOM 817 CA ASP A 53 12.097 2.360 -1.909 1.00 0.00 C ATOM 818 C ASP A 53 11.741 3.668 -2.600 1.00 0.00 C ATOM 819 O ASP A 53 12.196 3.975 -3.684 1.00 0.00 O ATOM 820 CB ASP A 53 13.599 2.193 -1.795 1.00 0.00 C ATOM 821 CG ASP A 53 14.262 2.557 -3.125 1.00 0.00 C ATOM 822 OD1 ASP A 53 14.174 1.761 -4.045 1.00 0.00 O ATOM 823 OD2 ASP A 53 14.845 3.626 -3.200 1.00 0.00 O ATOM 0 H ASP A 53 12.380 0.588 -3.046 1.00 0.00 H new ATOM 0 HA ASP A 53 11.630 2.370 -0.924 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.986 2.829 -0.999 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.841 1.165 -1.527 1.00 0.00 H new ATOM 828 N GLY A 54 10.875 4.391 -1.991 1.00 0.00 N ATOM 829 CA GLY A 54 10.369 5.656 -2.575 1.00 0.00 C ATOM 830 C GLY A 54 8.903 5.398 -2.906 1.00 0.00 C ATOM 831 O GLY A 54 8.255 6.147 -3.610 1.00 0.00 O ATOM 0 H GLY A 54 10.477 4.158 -1.081 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.472 6.482 -1.871 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.931 5.927 -3.469 1.00 0.00 H new ATOM 835 N ASP A 55 8.396 4.300 -2.400 1.00 0.00 N ATOM 836 CA ASP A 55 6.993 3.905 -2.655 1.00 0.00 C ATOM 837 C ASP A 55 6.011 5.062 -2.440 1.00 0.00 C ATOM 838 O ASP A 55 6.089 5.799 -1.484 1.00 0.00 O ATOM 839 CB ASP A 55 6.722 2.814 -1.623 1.00 0.00 C ATOM 840 CG ASP A 55 5.221 2.521 -1.577 1.00 0.00 C ATOM 841 OD1 ASP A 55 4.527 2.946 -2.486 1.00 0.00 O ATOM 842 OD2 ASP A 55 4.792 1.879 -0.635 1.00 0.00 O ATOM 0 H ASP A 55 8.916 3.652 -1.808 1.00 0.00 H new ATOM 0 HA ASP A 55 6.857 3.584 -3.688 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.273 1.909 -1.881 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.072 3.132 -0.641 1.00 0.00 H new ATOM 847 N GLN A 56 5.050 5.180 -3.298 1.00 0.00 N ATOM 848 CA GLN A 56 4.015 6.226 -3.119 1.00 0.00 C ATOM 849 C GLN A 56 2.684 5.505 -3.005 1.00 0.00 C ATOM 850 O GLN A 56 2.471 4.514 -3.656 1.00 0.00 O ATOM 851 CB GLN A 56 4.073 7.099 -4.370 1.00 0.00 C ATOM 852 CG GLN A 56 2.797 7.925 -4.449 1.00 0.00 C ATOM 853 CD GLN A 56 3.126 9.349 -4.907 1.00 0.00 C ATOM 854 OE1 GLN A 56 4.034 9.555 -5.688 1.00 0.00 O ATOM 855 NE2 GLN A 56 2.422 10.348 -4.449 1.00 0.00 N ATOM 0 H GLN A 56 4.934 4.593 -4.124 1.00 0.00 H new ATOM 0 HA GLN A 56 4.159 6.848 -2.235 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.945 7.753 -4.334 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.177 6.478 -5.260 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.096 7.463 -5.144 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.309 7.951 -3.475 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.660 10.176 -3.793 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.634 11.300 -4.747 1.00 0.00 H new ATOM 864 N ILE A 57 1.804 5.938 -2.159 1.00 0.00 N ATOM 865 CA ILE A 57 0.531 5.184 -2.027 1.00 0.00 C ATOM 866 C ILE A 57 -0.680 6.098 -1.886 1.00 0.00 C ATOM 867 O ILE A 57 -0.626 7.144 -1.269 1.00 0.00 O ATOM 868 CB ILE A 57 0.705 4.371 -0.751 1.00 0.00 C ATOM 869 CG1 ILE A 57 1.672 3.220 -0.993 1.00 0.00 C ATOM 870 CG2 ILE A 57 -0.645 3.807 -0.304 1.00 0.00 C ATOM 871 CD1 ILE A 57 2.050 2.610 0.352 1.00 0.00 C ATOM 0 H ILE A 57 1.902 6.761 -1.564 1.00 0.00 H new ATOM 0 HA ILE A 57 0.345 4.579 -2.914 1.00 0.00 H new ATOM 0 HB ILE A 57 1.104 5.023 0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.212 2.468 -1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.563 3.577 -1.510 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.513 3.227 0.609 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.338 4.627 -0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.048 3.165 -1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.743 1.783 0.195 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.525 3.368 0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.153 2.242 0.849 1.00 0.00 H new ATOM 883 N LEU A 58 -1.787 5.662 -2.408 1.00 0.00 N ATOM 884 CA LEU A 58 -3.043 6.435 -2.268 1.00 0.00 C ATOM 885 C LEU A 58 -3.992 5.592 -1.423 1.00 0.00 C ATOM 886 O LEU A 58 -3.956 4.384 -1.488 1.00 0.00 O ATOM 887 CB LEU A 58 -3.568 6.631 -3.690 1.00 0.00 C ATOM 888 CG LEU A 58 -4.223 8.008 -3.811 1.00 0.00 C ATOM 889 CD1 LEU A 58 -5.289 8.162 -2.724 1.00 0.00 C ATOM 890 CD2 LEU A 58 -3.158 9.096 -3.644 1.00 0.00 C ATOM 0 H LEU A 58 -1.875 4.791 -2.932 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.922 7.405 -1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.751 6.542 -4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.290 5.851 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.689 8.105 -4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.756 9.143 -2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.046 7.387 -2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.825 8.065 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.624 10.078 -3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.691 9.001 -2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.400 8.985 -4.419 1.00 0.00 H new ATOM 902 N LEU A 59 -4.804 6.184 -0.600 1.00 0.00 N ATOM 903 CA LEU A 59 -5.693 5.339 0.245 1.00 0.00 C ATOM 904 C LEU A 59 -7.150 5.479 -0.175 1.00 0.00 C ATOM 905 O LEU A 59 -7.651 6.562 -0.407 1.00 0.00 O ATOM 906 CB LEU A 59 -5.492 5.837 1.678 1.00 0.00 C ATOM 907 CG LEU A 59 -5.984 4.779 2.677 1.00 0.00 C ATOM 908 CD1 LEU A 59 -7.513 4.781 2.724 1.00 0.00 C ATOM 909 CD2 LEU A 59 -5.493 3.391 2.252 1.00 0.00 C ATOM 0 H LEU A 59 -4.893 7.192 -0.474 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.448 4.282 0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.438 6.051 1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.036 6.770 1.827 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.589 5.016 3.665 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.856 4.029 3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.866 5.763 3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.908 4.552 1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.846 2.646 2.965 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.880 3.156 1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.403 3.382 2.228 1.00 0.00 H new ATOM 921 N PHE A 60 -7.832 4.376 -0.259 1.00 0.00 N ATOM 922 CA PHE A 60 -9.263 4.405 -0.647 1.00 0.00 C ATOM 923 C PHE A 60 -10.092 3.754 0.460 1.00 0.00 C ATOM 924 O PHE A 60 -9.588 2.956 1.229 1.00 0.00 O ATOM 925 CB PHE A 60 -9.322 3.602 -1.940 1.00 0.00 C ATOM 926 CG PHE A 60 -8.498 4.308 -2.993 1.00 0.00 C ATOM 927 CD1 PHE A 60 -8.566 5.701 -3.107 1.00 0.00 C ATOM 928 CD2 PHE A 60 -7.659 3.578 -3.847 1.00 0.00 C ATOM 929 CE1 PHE A 60 -7.798 6.364 -4.070 1.00 0.00 C ATOM 930 CE2 PHE A 60 -6.892 4.243 -4.811 1.00 0.00 C ATOM 931 CZ PHE A 60 -6.961 5.635 -4.923 1.00 0.00 C ATOM 0 H PHE A 60 -7.455 3.447 -0.073 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.660 5.410 -0.789 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -8.940 2.594 -1.776 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.355 3.501 -2.274 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -9.212 6.265 -2.451 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.605 2.503 -3.761 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -7.851 7.439 -4.155 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -6.246 3.680 -5.469 1.00 0.00 H new ATOM 0 HZ PHE A 60 -6.369 6.147 -5.667 1.00 0.00 H new ATOM 941 N GLN A 61 -11.348 4.101 0.562 1.00 0.00 N ATOM 942 CA GLN A 61 -12.194 3.534 1.655 1.00 0.00 C ATOM 943 C GLN A 61 -12.851 2.215 1.242 1.00 0.00 C ATOM 944 O GLN A 61 -13.002 1.908 0.075 1.00 0.00 O ATOM 945 CB GLN A 61 -13.269 4.596 1.906 1.00 0.00 C ATOM 946 CG GLN A 61 -12.640 5.838 2.546 1.00 0.00 C ATOM 947 CD GLN A 61 -13.747 6.797 2.988 1.00 0.00 C ATOM 948 OE1 GLN A 61 -14.852 6.379 3.274 1.00 0.00 O ATOM 949 NE2 GLN A 61 -13.498 8.076 3.055 1.00 0.00 N ATOM 0 H GLN A 61 -11.825 4.751 -0.063 1.00 0.00 H new ATOM 0 HA GLN A 61 -11.597 3.311 2.540 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -13.752 4.866 0.967 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -14.044 4.194 2.558 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -12.030 5.550 3.402 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -11.978 6.332 1.834 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -12.571 8.428 2.815 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -14.230 8.723 3.347 1.00 0.00 H new ATOM 958 N VAL A 62 -13.234 1.434 2.216 1.00 0.00 N ATOM 959 CA VAL A 62 -13.878 0.119 1.944 1.00 0.00 C ATOM 960 C VAL A 62 -15.009 0.259 0.926 1.00 0.00 C ATOM 961 O VAL A 62 -15.652 1.285 0.828 1.00 0.00 O ATOM 962 CB VAL A 62 -14.433 -0.327 3.296 1.00 0.00 C ATOM 963 CG1 VAL A 62 -15.441 0.708 3.797 1.00 0.00 C ATOM 964 CG2 VAL A 62 -15.130 -1.678 3.136 1.00 0.00 C ATOM 0 H VAL A 62 -13.125 1.657 3.205 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.173 -0.598 1.523 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.618 -0.419 4.014 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -15.838 0.392 4.762 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.947 1.673 3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -16.257 0.798 3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -15.527 -1.999 4.099 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -15.947 -1.584 2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -14.414 -2.416 2.775 1.00 0.00 H new ATOM 974 N ILE A 63 -15.265 -0.780 0.180 1.00 0.00 N ATOM 975 CA ILE A 63 -16.365 -0.731 -0.821 1.00 0.00 C ATOM 976 C ILE A 63 -17.389 -1.801 -0.467 1.00 0.00 C ATOM 977 O ILE A 63 -17.255 -2.951 -0.836 1.00 0.00 O ATOM 978 CB ILE A 63 -15.726 -1.036 -2.184 1.00 0.00 C ATOM 979 CG1 ILE A 63 -14.518 -1.984 -2.018 1.00 0.00 C ATOM 980 CG2 ILE A 63 -15.302 0.276 -2.857 1.00 0.00 C ATOM 981 CD1 ILE A 63 -13.270 -1.214 -1.567 1.00 0.00 C ATOM 0 H ILE A 63 -14.757 -1.664 0.222 1.00 0.00 H new ATOM 0 HA ILE A 63 -16.865 0.237 -0.839 1.00 0.00 H new ATOM 0 HB ILE A 63 -16.458 -1.537 -2.818 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -14.756 -2.757 -1.287 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -14.316 -2.489 -2.962 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -14.849 0.059 -3.824 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -16.177 0.911 -3.000 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.579 0.792 -2.225 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.435 -1.906 -1.458 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.020 -0.458 -2.311 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -13.467 -0.730 -0.610 1.00 0.00 H new ATOM 993 N ALA A 64 -18.404 -1.439 0.257 1.00 0.00 N ATOM 994 CA ALA A 64 -19.427 -2.443 0.647 1.00 0.00 C ATOM 995 C ALA A 64 -20.824 -1.993 0.209 1.00 0.00 C ATOM 996 O ALA A 64 -21.095 -0.816 0.074 1.00 0.00 O ATOM 997 CB ALA A 64 -19.321 -2.518 2.168 1.00 0.00 C ATOM 0 H ALA A 64 -18.571 -0.492 0.596 1.00 0.00 H new ATOM 0 HA ALA A 64 -19.265 -3.412 0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.044 -3.240 2.548 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.315 -2.831 2.448 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.528 -1.537 2.596 1.00 0.00 H new ATOM 1003 N GLY A 65 -21.714 -2.923 -0.006 1.00 0.00 N ATOM 1004 CA GLY A 65 -23.098 -2.554 -0.425 1.00 0.00 C ATOM 1005 C GLY A 65 -24.097 -3.194 0.539 1.00 0.00 C ATOM 1006 O GLY A 65 -25.240 -3.433 0.201 1.00 0.00 O ATOM 0 H GLY A 65 -21.543 -3.924 0.090 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -23.215 -1.470 -0.424 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -23.286 -2.894 -1.443 1.00 0.00 H new ATOM 1010 N GLY A 66 -23.670 -3.473 1.740 1.00 0.00 N ATOM 1011 CA GLY A 66 -24.587 -4.097 2.733 1.00 0.00 C ATOM 1012 C GLY A 66 -24.010 -3.926 4.139 1.00 0.00 C ATOM 1013 O GLY A 66 -23.729 -2.798 4.511 1.00 0.00 O ATOM 1014 OXT GLY A 66 -23.859 -4.926 4.822 1.00 0.00 O ATOM 0 H GLY A 66 -22.724 -3.295 2.076 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -25.572 -3.635 2.674 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -24.717 -5.156 2.508 1.00 0.00 H new TER 1018 GLY A 66