USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 560 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 3 HIS : no HE2:sc= 0.1 K(o=0.3,f=-0.94) USER MOD Set 1.2: A 53 HIS : no HE2:sc= 0.204 K(o=0.3,f=-3.9) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0502 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.171 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -0.0112 X(o=-0.011,f=-0.011) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 14 GLN : amide:sc= 1.02 K(o=1,f=-0.0005) USER MOD Single : A 16 GLN : amide:sc= 1.85 K(o=1.8,f=-0.46) USER MOD Single : A 17 GLN : amide:sc= 0.387 X(o=0.39,f=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 23 GLN : amide:sc= 1.42 K(o=1.4,f=-0.25) USER MOD Single : A 24 GLN : amide:sc= 0.8 K(o=0.8,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0.915 K(o=0.91,f=-3.6!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0.277 K(o=0.28,f=-5.1!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 45 GLN : amide:sc= 0.772 K(o=0.77,f=0) USER MOD Single : A 46 GLN : amide:sc= 0.353 X(o=0.35,f=0) USER MOD Single : A 48 SER OG : rot 72:sc= 0.711 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 50 HIS : no HE2:sc= 0.756 K(o=0.76,f=-3!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= 0.503 K(o=0.5,f=0) USER MOD Single : A 57 MET CE :methyl 178:sc= -0.0233 (180deg=-0.0332) USER MOD Single : A 59 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= 0.45 X(o=0.45,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.090 -12.906 11.969 1.00 10.00 N ATOM 2 CA GLY A 1 18.565 -11.771 12.759 1.00 10.00 C ATOM 3 C GLY A 1 17.626 -10.898 11.938 1.00 10.00 C ATOM 4 O GLY A 1 17.728 -10.857 10.709 1.00 10.00 O ATOM 0 H1 GLY A 1 18.674 -13.793 12.317 1.00 10.00 H new ATOM 0 H2 GLY A 1 18.841 -12.777 10.968 1.00 10.00 H new ATOM 0 H3 GLY A 1 20.125 -12.947 12.066 1.00 10.00 H new ATOM 0 HA2 GLY A 1 18.037 -12.150 13.634 1.00 10.00 H new ATOM 0 HA3 GLY A 1 19.396 -11.168 13.125 1.00 10.00 H new ATOM 10 N SER A 2 16.725 -10.174 12.614 1.00 10.00 N ATOM 11 CA SER A 2 15.636 -9.369 12.017 1.00 10.00 C ATOM 12 C SER A 2 14.671 -10.174 11.114 1.00 10.00 C ATOM 13 O SER A 2 14.734 -11.406 11.049 1.00 10.00 O ATOM 14 CB SER A 2 16.227 -8.131 11.319 1.00 10.00 C ATOM 15 OG SER A 2 15.243 -7.120 11.159 1.00 10.00 O ATOM 0 H SER A 2 16.729 -10.127 13.633 1.00 10.00 H new ATOM 0 HA SER A 2 14.996 -9.034 12.834 1.00 10.00 H new ATOM 0 HB2 SER A 2 17.061 -7.743 11.904 1.00 10.00 H new ATOM 0 HB3 SER A 2 16.625 -8.414 10.344 1.00 10.00 H new ATOM 0 HG SER A 2 15.642 -6.343 10.715 1.00 10.00 H new ATOM 21 N HIS A 3 13.732 -9.489 10.458 1.00 10.00 N ATOM 22 CA HIS A 3 12.681 -10.069 9.609 1.00 10.00 C ATOM 23 C HIS A 3 12.199 -9.095 8.516 1.00 10.00 C ATOM 24 O HIS A 3 12.313 -7.873 8.645 1.00 10.00 O ATOM 25 CB HIS A 3 11.504 -10.534 10.490 1.00 10.00 C ATOM 26 CG HIS A 3 11.074 -9.554 11.560 1.00 10.00 C ATOM 27 ND1 HIS A 3 10.501 -8.313 11.377 1.00 10.00 N ATOM 28 CD2 HIS A 3 11.207 -9.735 12.912 1.00 10.00 C ATOM 29 CE1 HIS A 3 10.297 -7.761 12.585 1.00 10.00 C ATOM 30 NE2 HIS A 3 10.712 -8.593 13.558 1.00 10.00 N ATOM 0 H HIS A 3 13.678 -8.471 10.504 1.00 10.00 H new ATOM 0 HA HIS A 3 13.108 -10.926 9.089 1.00 10.00 H new ATOM 0 HB2 HIS A 3 10.649 -10.743 9.846 1.00 10.00 H new ATOM 0 HB3 HIS A 3 11.779 -11.473 10.969 1.00 10.00 H new ATOM 0 HD1 HIS A 3 10.271 -7.887 10.479 1.00 10.00 H new ATOM 0 HD2 HIS A 3 11.622 -10.607 13.396 1.00 10.00 H new ATOM 0 HE1 HIS A 3 9.861 -6.787 12.752 1.00 10.00 H new ATOM 38 N MET A 4 11.629 -9.651 7.441 1.00 10.00 N ATOM 39 CA MET A 4 11.112 -8.925 6.270 1.00 10.00 C ATOM 40 C MET A 4 9.855 -9.621 5.691 1.00 10.00 C ATOM 41 O MET A 4 9.903 -10.192 4.600 1.00 10.00 O ATOM 42 CB MET A 4 12.232 -8.696 5.232 1.00 10.00 C ATOM 43 CG MET A 4 13.009 -9.952 4.803 1.00 10.00 C ATOM 44 SD MET A 4 14.205 -9.640 3.474 1.00 10.00 S ATOM 45 CE MET A 4 14.756 -11.340 3.164 1.00 10.00 C ATOM 0 H MET A 4 11.509 -10.660 7.357 1.00 10.00 H new ATOM 0 HA MET A 4 10.781 -7.934 6.582 1.00 10.00 H new ATOM 0 HB2 MET A 4 11.792 -8.242 4.344 1.00 10.00 H new ATOM 0 HB3 MET A 4 12.940 -7.975 5.641 1.00 10.00 H new ATOM 0 HG2 MET A 4 13.535 -10.358 5.667 1.00 10.00 H new ATOM 0 HG3 MET A 4 12.302 -10.713 4.474 1.00 10.00 H new ATOM 0 HE1 MET A 4 15.501 -11.342 2.368 1.00 10.00 H new ATOM 0 HE2 MET A 4 15.195 -11.752 4.073 1.00 10.00 H new ATOM 0 HE3 MET A 4 13.904 -11.950 2.864 1.00 10.00 H new ATOM 55 N PRO A 5 8.714 -9.614 6.413 1.00 10.00 N ATOM 56 CA PRO A 5 7.522 -10.416 6.086 1.00 10.00 C ATOM 57 C PRO A 5 6.798 -10.035 4.776 1.00 10.00 C ATOM 58 O PRO A 5 5.836 -10.706 4.395 1.00 10.00 O ATOM 59 CB PRO A 5 6.601 -10.277 7.306 1.00 10.00 C ATOM 60 CG PRO A 5 6.983 -8.918 7.883 1.00 10.00 C ATOM 61 CD PRO A 5 8.487 -8.861 7.640 1.00 10.00 C ATOM 0 HA PRO A 5 7.825 -11.444 5.889 1.00 10.00 H new ATOM 0 HB2 PRO A 5 5.549 -10.312 7.022 1.00 10.00 H new ATOM 0 HB3 PRO A 5 6.763 -11.079 8.026 1.00 10.00 H new ATOM 0 HG2 PRO A 5 6.461 -8.104 7.381 1.00 10.00 H new ATOM 0 HG3 PRO A 5 6.741 -8.846 8.943 1.00 10.00 H new ATOM 0 HD2 PRO A 5 8.829 -7.831 7.537 1.00 10.00 H new ATOM 0 HD3 PRO A 5 9.036 -9.297 8.475 1.00 10.00 H new ATOM 69 N LEU A 6 7.252 -8.987 4.078 1.00 10.00 N ATOM 70 CA LEU A 6 6.697 -8.466 2.820 1.00 10.00 C ATOM 71 C LEU A 6 7.768 -8.367 1.709 1.00 10.00 C ATOM 72 O LEU A 6 7.622 -7.594 0.762 1.00 10.00 O ATOM 73 CB LEU A 6 6.012 -7.111 3.097 1.00 10.00 C ATOM 74 CG LEU A 6 4.857 -7.142 4.118 1.00 10.00 C ATOM 75 CD1 LEU A 6 4.365 -5.716 4.355 1.00 10.00 C ATOM 76 CD2 LEU A 6 3.666 -7.975 3.639 1.00 10.00 C ATOM 0 H LEU A 6 8.060 -8.450 4.392 1.00 10.00 H new ATOM 0 HA LEU A 6 5.951 -9.166 2.443 1.00 10.00 H new ATOM 0 HB2 LEU A 6 6.767 -6.409 3.451 1.00 10.00 H new ATOM 0 HB3 LEU A 6 5.629 -6.719 2.155 1.00 10.00 H new ATOM 0 HG LEU A 6 5.247 -7.597 5.028 1.00 10.00 H new ATOM 0 HD11 LEU A 6 3.548 -5.728 5.076 1.00 10.00 H new ATOM 0 HD12 LEU A 6 5.183 -5.109 4.743 1.00 10.00 H new ATOM 0 HD13 LEU A 6 4.013 -5.292 3.415 1.00 10.00 H new ATOM 0 HD21 LEU A 6 2.884 -7.961 4.398 1.00 10.00 H new ATOM 0 HD22 LEU A 6 3.279 -7.556 2.710 1.00 10.00 H new ATOM 0 HD23 LEU A 6 3.986 -9.003 3.467 1.00 10.00 H new ATOM 88 N GLU A 7 8.858 -9.138 1.814 1.00 10.00 N ATOM 89 CA GLU A 7 9.979 -9.169 0.855 1.00 10.00 C ATOM 90 C GLU A 7 9.584 -9.335 -0.626 1.00 10.00 C ATOM 91 O GLU A 7 10.312 -8.877 -1.507 1.00 10.00 O ATOM 92 CB GLU A 7 11.022 -10.228 1.269 1.00 10.00 C ATOM 93 CG GLU A 7 10.712 -11.696 0.918 1.00 10.00 C ATOM 94 CD GLU A 7 9.482 -12.281 1.646 1.00 10.00 C ATOM 95 OE1 GLU A 7 8.337 -12.053 1.186 1.00 10.00 O ATOM 96 OE2 GLU A 7 9.657 -13.021 2.644 1.00 10.00 O ATOM 0 H GLU A 7 8.992 -9.781 2.594 1.00 10.00 H new ATOM 0 HA GLU A 7 10.417 -8.172 0.910 1.00 10.00 H new ATOM 0 HB2 GLU A 7 11.973 -9.964 0.807 1.00 10.00 H new ATOM 0 HB3 GLU A 7 11.162 -10.161 2.348 1.00 10.00 H new ATOM 0 HG2 GLU A 7 10.553 -11.774 -0.158 1.00 10.00 H new ATOM 0 HG3 GLU A 7 11.584 -12.306 1.156 1.00 10.00 H new ATOM 103 N PHE A 8 8.436 -9.945 -0.926 1.00 10.00 N ATOM 104 CA PHE A 8 7.856 -10.034 -2.273 1.00 10.00 C ATOM 105 C PHE A 8 7.702 -8.667 -2.973 1.00 10.00 C ATOM 106 O PHE A 8 7.833 -8.574 -4.195 1.00 10.00 O ATOM 107 CB PHE A 8 6.504 -10.759 -2.157 1.00 10.00 C ATOM 108 CG PHE A 8 5.749 -10.947 -3.463 1.00 10.00 C ATOM 109 CD1 PHE A 8 6.330 -11.675 -4.520 1.00 10.00 C ATOM 110 CD2 PHE A 8 4.452 -10.417 -3.615 1.00 10.00 C ATOM 111 CE1 PHE A 8 5.625 -11.861 -5.724 1.00 10.00 C ATOM 112 CE2 PHE A 8 3.742 -10.616 -4.813 1.00 10.00 C ATOM 113 CZ PHE A 8 4.332 -11.332 -5.871 1.00 10.00 C ATOM 0 H PHE A 8 7.864 -10.406 -0.218 1.00 10.00 H new ATOM 0 HA PHE A 8 8.544 -10.593 -2.907 1.00 10.00 H new ATOM 0 HB2 PHE A 8 6.674 -11.739 -1.711 1.00 10.00 H new ATOM 0 HB3 PHE A 8 5.870 -10.201 -1.468 1.00 10.00 H new ATOM 0 HD1 PHE A 8 7.320 -12.092 -4.406 1.00 10.00 H new ATOM 0 HD2 PHE A 8 4.002 -9.856 -2.809 1.00 10.00 H new ATOM 0 HE1 PHE A 8 6.079 -12.411 -6.535 1.00 10.00 H new ATOM 0 HE2 PHE A 8 2.743 -10.219 -4.921 1.00 10.00 H new ATOM 0 HZ PHE A 8 3.791 -11.475 -6.795 1.00 10.00 H new ATOM 123 N LEU A 9 7.480 -7.590 -2.210 1.00 10.00 N ATOM 124 CA LEU A 9 7.308 -6.224 -2.724 1.00 10.00 C ATOM 125 C LEU A 9 8.629 -5.533 -3.128 1.00 10.00 C ATOM 126 O LEU A 9 8.587 -4.435 -3.687 1.00 10.00 O ATOM 127 CB LEU A 9 6.580 -5.372 -1.661 1.00 10.00 C ATOM 128 CG LEU A 9 5.245 -5.928 -1.126 1.00 10.00 C ATOM 129 CD1 LEU A 9 4.675 -4.957 -0.093 1.00 10.00 C ATOM 130 CD2 LEU A 9 4.198 -6.121 -2.221 1.00 10.00 C ATOM 0 H LEU A 9 7.413 -7.644 -1.194 1.00 10.00 H new ATOM 0 HA LEU A 9 6.719 -6.306 -3.637 1.00 10.00 H new ATOM 0 HB2 LEU A 9 7.254 -5.233 -0.816 1.00 10.00 H new ATOM 0 HB3 LEU A 9 6.393 -4.385 -2.085 1.00 10.00 H new ATOM 0 HG LEU A 9 5.461 -6.904 -0.691 1.00 10.00 H new ATOM 0 HD11 LEU A 9 3.731 -5.345 0.289 1.00 10.00 H new ATOM 0 HD12 LEU A 9 5.381 -4.846 0.730 1.00 10.00 H new ATOM 0 HD13 LEU A 9 4.506 -3.987 -0.560 1.00 10.00 H new ATOM 0 HD21 LEU A 9 3.281 -6.514 -1.782 1.00 10.00 H new ATOM 0 HD22 LEU A 9 3.990 -5.163 -2.699 1.00 10.00 H new ATOM 0 HD23 LEU A 9 4.575 -6.823 -2.965 1.00 10.00 H new ATOM 142 N ARG A 10 9.803 -6.115 -2.831 1.00 10.00 N ATOM 143 CA ARG A 10 11.116 -5.433 -2.924 1.00 10.00 C ATOM 144 C ARG A 10 11.637 -5.147 -4.344 1.00 10.00 C ATOM 145 O ARG A 10 12.532 -4.317 -4.491 1.00 10.00 O ATOM 146 CB ARG A 10 12.164 -6.205 -2.095 1.00 10.00 C ATOM 147 CG ARG A 10 12.747 -7.435 -2.814 1.00 10.00 C ATOM 148 CD ARG A 10 13.508 -8.338 -1.835 1.00 10.00 C ATOM 149 NE ARG A 10 14.054 -9.536 -2.503 1.00 10.00 N ATOM 150 CZ ARG A 10 13.399 -10.631 -2.847 1.00 10.00 C ATOM 151 NH1 ARG A 10 12.116 -10.769 -2.662 1.00 10.00 N ATOM 152 NH2 ARG A 10 14.033 -11.627 -3.397 1.00 10.00 N ATOM 0 H ARG A 10 9.874 -7.082 -2.516 1.00 10.00 H new ATOM 0 HA ARG A 10 10.947 -4.439 -2.510 1.00 10.00 H new ATOM 0 HB2 ARG A 10 12.978 -5.528 -1.836 1.00 10.00 H new ATOM 0 HB3 ARG A 10 11.707 -6.526 -1.159 1.00 10.00 H new ATOM 0 HG2 ARG A 10 11.942 -8.000 -3.285 1.00 10.00 H new ATOM 0 HG3 ARG A 10 13.417 -7.111 -3.610 1.00 10.00 H new ATOM 0 HD2 ARG A 10 14.322 -7.774 -1.378 1.00 10.00 H new ATOM 0 HD3 ARG A 10 12.841 -8.644 -1.029 1.00 10.00 H new ATOM 0 HE ARG A 10 15.050 -9.516 -2.724 1.00 10.00 H new ATOM 0 HH11 ARG A 10 11.578 -10.014 -2.237 1.00 10.00 H new ATOM 0 HH12 ARG A 10 11.650 -11.632 -2.943 1.00 10.00 H new ATOM 0 HH21 ARG A 10 15.037 -11.563 -3.563 1.00 10.00 H new ATOM 0 HH22 ARG A 10 13.525 -12.471 -3.662 1.00 10.00 H new ATOM 166 N ASN A 11 11.116 -5.836 -5.365 1.00 10.00 N ATOM 167 CA ASN A 11 11.681 -5.816 -6.729 1.00 10.00 C ATOM 168 C ASN A 11 10.642 -5.761 -7.873 1.00 10.00 C ATOM 169 O ASN A 11 10.992 -5.392 -8.993 1.00 10.00 O ATOM 170 CB ASN A 11 12.599 -7.050 -6.864 1.00 10.00 C ATOM 171 CG ASN A 11 13.423 -7.039 -8.145 1.00 10.00 C ATOM 172 OD1 ASN A 11 14.178 -6.117 -8.421 1.00 10.00 O ATOM 173 ND2 ASN A 11 13.323 -8.065 -8.963 1.00 10.00 N ATOM 0 H ASN A 11 10.289 -6.426 -5.274 1.00 10.00 H new ATOM 0 HA ASN A 11 12.233 -4.883 -6.845 1.00 10.00 H new ATOM 0 HB2 ASN A 11 13.271 -7.092 -6.006 1.00 10.00 H new ATOM 0 HB3 ASN A 11 11.990 -7.954 -6.837 1.00 10.00 H new ATOM 0 HD21 ASN A 11 13.873 -8.088 -9.822 1.00 10.00 H new ATOM 0 HD22 ASN A 11 12.695 -8.837 -8.738 1.00 10.00 H new ATOM 180 N GLN A 12 9.371 -6.098 -7.619 1.00 10.00 N ATOM 181 CA GLN A 12 8.300 -6.078 -8.629 1.00 10.00 C ATOM 182 C GLN A 12 8.036 -4.636 -9.120 1.00 10.00 C ATOM 183 O GLN A 12 7.679 -3.798 -8.287 1.00 10.00 O ATOM 184 CB GLN A 12 7.011 -6.660 -8.019 1.00 10.00 C ATOM 185 CG GLN A 12 7.114 -8.120 -7.537 1.00 10.00 C ATOM 186 CD GLN A 12 7.349 -9.139 -8.653 1.00 10.00 C ATOM 187 OE1 GLN A 12 7.095 -8.912 -9.830 1.00 10.00 O ATOM 188 NE2 GLN A 12 7.860 -10.308 -8.329 1.00 10.00 N ATOM 0 H GLN A 12 9.052 -6.396 -6.697 1.00 10.00 H new ATOM 0 HA GLN A 12 8.612 -6.681 -9.481 1.00 10.00 H new ATOM 0 HB2 GLN A 12 6.713 -6.036 -7.176 1.00 10.00 H new ATOM 0 HB3 GLN A 12 6.215 -6.594 -8.761 1.00 10.00 H new ATOM 0 HG2 GLN A 12 7.928 -8.195 -6.816 1.00 10.00 H new ATOM 0 HG3 GLN A 12 6.196 -8.381 -7.010 1.00 10.00 H new ATOM 0 HE21 GLN A 12 8.079 -10.517 -7.355 1.00 10.00 H new ATOM 0 HE22 GLN A 12 8.037 -11.005 -9.052 1.00 10.00 H new ATOM 197 N PRO A 13 8.174 -4.303 -10.421 1.00 10.00 N ATOM 198 CA PRO A 13 7.966 -2.942 -10.943 1.00 10.00 C ATOM 199 C PRO A 13 6.621 -2.305 -10.561 1.00 10.00 C ATOM 200 O PRO A 13 6.561 -1.118 -10.230 1.00 10.00 O ATOM 201 CB PRO A 13 8.110 -3.064 -12.465 1.00 10.00 C ATOM 202 CG PRO A 13 9.054 -4.252 -12.634 1.00 10.00 C ATOM 203 CD PRO A 13 8.639 -5.175 -11.494 1.00 10.00 C ATOM 0 HA PRO A 13 8.698 -2.268 -10.498 1.00 10.00 H new ATOM 0 HB2 PRO A 13 7.149 -3.242 -12.947 1.00 10.00 H new ATOM 0 HB3 PRO A 13 8.523 -2.156 -12.904 1.00 10.00 H new ATOM 0 HG2 PRO A 13 8.933 -4.730 -13.606 1.00 10.00 H new ATOM 0 HG3 PRO A 13 10.099 -3.953 -12.553 1.00 10.00 H new ATOM 0 HD2 PRO A 13 7.851 -5.858 -11.812 1.00 10.00 H new ATOM 0 HD3 PRO A 13 9.477 -5.788 -11.163 1.00 10.00 H new ATOM 211 N GLN A 14 5.545 -3.095 -10.551 1.00 10.00 N ATOM 212 CA GLN A 14 4.197 -2.679 -10.125 1.00 10.00 C ATOM 213 C GLN A 14 4.096 -2.259 -8.643 1.00 10.00 C ATOM 214 O GLN A 14 3.159 -1.555 -8.268 1.00 10.00 O ATOM 215 CB GLN A 14 3.189 -3.794 -10.461 1.00 10.00 C ATOM 216 CG GLN A 14 3.462 -5.129 -9.743 1.00 10.00 C ATOM 217 CD GLN A 14 2.418 -6.195 -10.076 1.00 10.00 C ATOM 218 OE1 GLN A 14 2.094 -6.461 -11.227 1.00 10.00 O ATOM 219 NE2 GLN A 14 1.853 -6.855 -9.087 1.00 10.00 N ATOM 0 H GLN A 14 5.583 -4.070 -10.847 1.00 10.00 H new ATOM 0 HA GLN A 14 3.957 -1.774 -10.683 1.00 10.00 H new ATOM 0 HB2 GLN A 14 2.187 -3.453 -10.201 1.00 10.00 H new ATOM 0 HB3 GLN A 14 3.198 -3.965 -11.538 1.00 10.00 H new ATOM 0 HG2 GLN A 14 4.451 -5.493 -10.023 1.00 10.00 H new ATOM 0 HG3 GLN A 14 3.476 -4.963 -8.666 1.00 10.00 H new ATOM 0 HE21 GLN A 14 2.110 -6.647 -8.122 1.00 10.00 H new ATOM 0 HE22 GLN A 14 1.158 -7.574 -9.285 1.00 10.00 H new ATOM 228 N PHE A 15 5.074 -2.640 -7.813 1.00 10.00 N ATOM 229 CA PHE A 15 5.140 -2.343 -6.379 1.00 10.00 C ATOM 230 C PHE A 15 6.294 -1.390 -6.032 1.00 10.00 C ATOM 231 O PHE A 15 6.436 -0.990 -4.876 1.00 10.00 O ATOM 232 CB PHE A 15 5.227 -3.666 -5.596 1.00 10.00 C ATOM 233 CG PHE A 15 4.067 -4.646 -5.754 1.00 10.00 C ATOM 234 CD1 PHE A 15 2.738 -4.204 -5.934 1.00 10.00 C ATOM 235 CD2 PHE A 15 4.313 -6.029 -5.659 1.00 10.00 C ATOM 236 CE1 PHE A 15 1.681 -5.127 -6.013 1.00 10.00 C ATOM 237 CE2 PHE A 15 3.258 -6.954 -5.745 1.00 10.00 C ATOM 238 CZ PHE A 15 1.938 -6.504 -5.910 1.00 10.00 C ATOM 0 H PHE A 15 5.873 -3.186 -8.136 1.00 10.00 H new ATOM 0 HA PHE A 15 4.231 -1.817 -6.088 1.00 10.00 H new ATOM 0 HB2 PHE A 15 6.143 -4.176 -5.894 1.00 10.00 H new ATOM 0 HB3 PHE A 15 5.325 -3.426 -4.537 1.00 10.00 H new ATOM 0 HD1 PHE A 15 2.532 -3.147 -6.012 1.00 10.00 H new ATOM 0 HD2 PHE A 15 5.324 -6.383 -5.518 1.00 10.00 H new ATOM 0 HE1 PHE A 15 0.669 -4.777 -6.153 1.00 10.00 H new ATOM 0 HE2 PHE A 15 3.463 -8.013 -5.684 1.00 10.00 H new ATOM 0 HZ PHE A 15 1.125 -7.213 -5.957 1.00 10.00 H new ATOM 248 N GLN A 16 7.081 -0.966 -7.028 1.00 10.00 N ATOM 249 CA GLN A 16 8.004 0.167 -6.916 1.00 10.00 C ATOM 250 C GLN A 16 7.296 1.477 -7.310 1.00 10.00 C ATOM 251 O GLN A 16 7.390 2.478 -6.600 1.00 10.00 O ATOM 252 CB GLN A 16 9.226 -0.054 -7.830 1.00 10.00 C ATOM 253 CG GLN A 16 10.013 -1.366 -7.653 1.00 10.00 C ATOM 254 CD GLN A 16 9.995 -1.945 -6.240 1.00 10.00 C ATOM 255 OE1 GLN A 16 10.595 -1.428 -5.309 1.00 10.00 O ATOM 256 NE2 GLN A 16 9.288 -3.037 -6.041 1.00 10.00 N ATOM 0 H GLN A 16 7.094 -1.408 -7.947 1.00 10.00 H new ATOM 0 HA GLN A 16 8.336 0.241 -5.881 1.00 10.00 H new ATOM 0 HB2 GLN A 16 8.887 -0.001 -8.865 1.00 10.00 H new ATOM 0 HB3 GLN A 16 9.916 0.776 -7.677 1.00 10.00 H new ATOM 0 HG2 GLN A 16 9.608 -2.110 -8.339 1.00 10.00 H new ATOM 0 HG3 GLN A 16 11.049 -1.193 -7.945 1.00 10.00 H new ATOM 0 HE21 GLN A 16 8.787 -3.469 -6.818 1.00 10.00 H new ATOM 0 HE22 GLN A 16 9.241 -3.452 -5.110 1.00 10.00 H new ATOM 265 N GLN A 17 6.539 1.459 -8.414 1.00 10.00 N ATOM 266 CA GLN A 17 5.873 2.645 -8.978 1.00 10.00 C ATOM 267 C GLN A 17 4.773 3.209 -8.072 1.00 10.00 C ATOM 268 O GLN A 17 4.668 4.424 -7.929 1.00 10.00 O ATOM 269 CB GLN A 17 5.289 2.295 -10.356 1.00 10.00 C ATOM 270 CG GLN A 17 6.393 2.134 -11.413 1.00 10.00 C ATOM 271 CD GLN A 17 5.849 1.525 -12.702 1.00 10.00 C ATOM 272 OE1 GLN A 17 5.545 2.203 -13.676 1.00 10.00 O ATOM 273 NE2 GLN A 17 5.699 0.218 -12.746 1.00 10.00 N ATOM 0 H GLN A 17 6.368 0.608 -8.950 1.00 10.00 H new ATOM 0 HA GLN A 17 6.629 3.425 -9.069 1.00 10.00 H new ATOM 0 HB2 GLN A 17 4.715 1.371 -10.285 1.00 10.00 H new ATOM 0 HB3 GLN A 17 4.597 3.077 -10.668 1.00 10.00 H new ATOM 0 HG2 GLN A 17 6.837 3.106 -11.628 1.00 10.00 H new ATOM 0 HG3 GLN A 17 7.187 1.501 -11.017 1.00 10.00 H new ATOM 0 HE21 GLN A 17 5.950 -0.352 -11.938 1.00 10.00 H new ATOM 0 HE22 GLN A 17 5.331 -0.225 -13.588 1.00 10.00 H new ATOM 282 N MET A 18 3.984 2.356 -7.409 1.00 10.00 N ATOM 283 CA MET A 18 2.899 2.775 -6.513 1.00 10.00 C ATOM 284 C MET A 18 3.359 3.689 -5.369 1.00 10.00 C ATOM 285 O MET A 18 2.643 4.608 -4.981 1.00 10.00 O ATOM 286 CB MET A 18 2.170 1.529 -5.998 1.00 10.00 C ATOM 287 CG MET A 18 3.028 0.618 -5.101 1.00 10.00 C ATOM 288 SD MET A 18 2.163 -0.839 -4.453 1.00 10.00 S ATOM 289 CE MET A 18 3.308 -1.342 -3.140 1.00 10.00 C ATOM 0 H MET A 18 4.082 1.343 -7.480 1.00 10.00 H new ATOM 0 HA MET A 18 2.209 3.391 -7.090 1.00 10.00 H new ATOM 0 HB2 MET A 18 1.288 1.843 -5.439 1.00 10.00 H new ATOM 0 HB3 MET A 18 1.817 0.950 -6.852 1.00 10.00 H new ATOM 0 HG2 MET A 18 3.897 0.285 -5.669 1.00 10.00 H new ATOM 0 HG3 MET A 18 3.402 1.205 -4.262 1.00 10.00 H new ATOM 0 HE1 MET A 18 2.921 -2.230 -2.640 1.00 10.00 H new ATOM 0 HE2 MET A 18 4.283 -1.566 -3.573 1.00 10.00 H new ATOM 0 HE3 MET A 18 3.410 -0.533 -2.416 1.00 10.00 H new ATOM 299 N ARG A 19 4.584 3.498 -4.870 1.00 10.00 N ATOM 300 CA ARG A 19 5.181 4.308 -3.796 1.00 10.00 C ATOM 301 C ARG A 19 5.510 5.724 -4.269 1.00 10.00 C ATOM 302 O ARG A 19 5.344 6.668 -3.505 1.00 10.00 O ATOM 303 CB ARG A 19 6.465 3.631 -3.279 1.00 10.00 C ATOM 304 CG ARG A 19 6.399 2.096 -3.186 1.00 10.00 C ATOM 305 CD ARG A 19 7.715 1.587 -2.575 1.00 10.00 C ATOM 306 NE ARG A 19 7.905 0.131 -2.714 1.00 10.00 N ATOM 307 CZ ARG A 19 8.966 -0.541 -2.298 1.00 10.00 C ATOM 308 NH1 ARG A 19 9.908 0.029 -1.607 1.00 10.00 N ATOM 309 NH2 ARG A 19 9.107 -1.807 -2.545 1.00 10.00 N ATOM 0 H ARG A 19 5.204 2.761 -5.206 1.00 10.00 H new ATOM 0 HA ARG A 19 4.447 4.380 -2.993 1.00 10.00 H new ATOM 0 HB2 ARG A 19 7.291 3.905 -3.935 1.00 10.00 H new ATOM 0 HB3 ARG A 19 6.696 4.030 -2.291 1.00 10.00 H new ATOM 0 HG2 ARG A 19 5.553 1.790 -2.571 1.00 10.00 H new ATOM 0 HG3 ARG A 19 6.248 1.663 -4.175 1.00 10.00 H new ATOM 0 HD2 ARG A 19 8.550 2.101 -3.051 1.00 10.00 H new ATOM 0 HD3 ARG A 19 7.740 1.849 -1.517 1.00 10.00 H new ATOM 0 HE ARG A 19 7.160 -0.399 -3.166 1.00 10.00 H new ATOM 0 HH11 ARG A 19 9.840 1.019 -1.372 1.00 10.00 H new ATOM 0 HH12 ARG A 19 10.715 -0.514 -1.299 1.00 10.00 H new ATOM 0 HH21 ARG A 19 8.390 -2.307 -3.071 1.00 10.00 H new ATOM 0 HH22 ARG A 19 9.935 -2.302 -2.213 1.00 10.00 H new ATOM 323 N GLN A 20 5.894 5.888 -5.540 1.00 10.00 N ATOM 324 CA GLN A 20 6.132 7.207 -6.159 1.00 10.00 C ATOM 325 C GLN A 20 4.876 8.084 -6.133 1.00 10.00 C ATOM 326 O GLN A 20 4.968 9.304 -6.019 1.00 10.00 O ATOM 327 CB GLN A 20 6.571 7.081 -7.628 1.00 10.00 C ATOM 328 CG GLN A 20 7.849 6.258 -7.830 1.00 10.00 C ATOM 329 CD GLN A 20 8.306 6.285 -9.288 1.00 10.00 C ATOM 330 OE1 GLN A 20 7.878 5.495 -10.119 1.00 10.00 O ATOM 331 NE2 GLN A 20 9.189 7.187 -9.661 1.00 10.00 N ATOM 0 H GLN A 20 6.051 5.107 -6.177 1.00 10.00 H new ATOM 0 HA GLN A 20 6.925 7.666 -5.568 1.00 10.00 H new ATOM 0 HB2 GLN A 20 5.763 6.624 -8.200 1.00 10.00 H new ATOM 0 HB3 GLN A 20 6.726 8.079 -8.037 1.00 10.00 H new ATOM 0 HG2 GLN A 20 8.641 6.650 -7.192 1.00 10.00 H new ATOM 0 HG3 GLN A 20 7.672 5.228 -7.522 1.00 10.00 H new ATOM 0 HE21 GLN A 20 9.556 7.853 -8.981 1.00 10.00 H new ATOM 0 HE22 GLN A 20 9.506 7.220 -10.630 1.00 10.00 H new ATOM 340 N ILE A 21 3.701 7.460 -6.235 1.00 10.00 N ATOM 341 CA ILE A 21 2.401 8.129 -6.187 1.00 10.00 C ATOM 342 C ILE A 21 2.175 8.715 -4.783 1.00 10.00 C ATOM 343 O ILE A 21 1.819 9.884 -4.624 1.00 10.00 O ATOM 344 CB ILE A 21 1.268 7.140 -6.574 1.00 10.00 C ATOM 345 CG1 ILE A 21 1.661 6.297 -7.809 1.00 10.00 C ATOM 346 CG2 ILE A 21 -0.029 7.930 -6.815 1.00 10.00 C ATOM 347 CD1 ILE A 21 0.592 5.337 -8.340 1.00 10.00 C ATOM 0 H ILE A 21 3.626 6.450 -6.356 1.00 10.00 H new ATOM 0 HA ILE A 21 2.387 8.945 -6.909 1.00 10.00 H new ATOM 0 HB ILE A 21 1.105 6.439 -5.756 1.00 10.00 H new ATOM 0 HG12 ILE A 21 1.941 6.977 -8.613 1.00 10.00 H new ATOM 0 HG13 ILE A 21 2.549 5.717 -7.559 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -0.829 7.242 -7.087 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.304 8.464 -5.906 1.00 10.00 H new ATOM 0 HG23 ILE A 21 0.125 8.645 -7.623 1.00 10.00 H new ATOM 0 HD11 ILE A 21 0.982 4.801 -9.206 1.00 10.00 H new ATOM 0 HD12 ILE A 21 0.325 4.623 -7.561 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -0.293 5.903 -8.632 1.00 10.00 H new ATOM 359 N ILE A 22 2.462 7.911 -3.756 1.00 10.00 N ATOM 360 CA ILE A 22 2.259 8.255 -2.337 1.00 10.00 C ATOM 361 C ILE A 22 3.302 9.267 -1.843 1.00 10.00 C ATOM 362 O ILE A 22 2.985 10.172 -1.075 1.00 10.00 O ATOM 363 CB ILE A 22 2.277 6.975 -1.472 1.00 10.00 C ATOM 364 CG1 ILE A 22 1.303 5.876 -1.962 1.00 10.00 C ATOM 365 CG2 ILE A 22 1.951 7.291 -0.006 1.00 10.00 C ATOM 366 CD1 ILE A 22 -0.076 6.365 -2.410 1.00 10.00 C ATOM 0 H ILE A 22 2.852 6.978 -3.886 1.00 10.00 H new ATOM 0 HA ILE A 22 1.282 8.729 -2.242 1.00 10.00 H new ATOM 0 HB ILE A 22 3.292 6.589 -1.566 1.00 10.00 H new ATOM 0 HG12 ILE A 22 1.769 5.348 -2.794 1.00 10.00 H new ATOM 0 HG13 ILE A 22 1.168 5.151 -1.159 1.00 10.00 H new ATOM 0 HG21 ILE A 22 1.971 6.371 0.578 1.00 10.00 H new ATOM 0 HG22 ILE A 22 2.690 7.988 0.389 1.00 10.00 H new ATOM 0 HG23 ILE A 22 0.960 7.739 0.058 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -0.676 5.515 -2.733 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -0.573 6.865 -1.578 1.00 10.00 H new ATOM 0 HD13 ILE A 22 0.037 7.064 -3.238 1.00 10.00 H new ATOM 378 N GLN A 23 4.533 9.176 -2.345 1.00 10.00 N ATOM 379 CA GLN A 23 5.635 10.117 -2.099 1.00 10.00 C ATOM 380 C GLN A 23 5.411 11.531 -2.700 1.00 10.00 C ATOM 381 O GLN A 23 6.273 12.404 -2.565 1.00 10.00 O ATOM 382 CB GLN A 23 6.935 9.450 -2.589 1.00 10.00 C ATOM 383 CG GLN A 23 7.390 8.339 -1.616 1.00 10.00 C ATOM 384 CD GLN A 23 8.617 7.554 -2.085 1.00 10.00 C ATOM 385 OE1 GLN A 23 9.409 7.985 -2.915 1.00 10.00 O ATOM 386 NE2 GLN A 23 8.839 6.370 -1.550 1.00 10.00 N ATOM 0 H GLN A 23 4.806 8.411 -2.963 1.00 10.00 H new ATOM 0 HA GLN A 23 5.697 10.316 -1.029 1.00 10.00 H new ATOM 0 HB2 GLN A 23 6.779 9.027 -3.581 1.00 10.00 H new ATOM 0 HB3 GLN A 23 7.720 10.200 -2.682 1.00 10.00 H new ATOM 0 HG2 GLN A 23 7.609 8.788 -0.647 1.00 10.00 H new ATOM 0 HG3 GLN A 23 6.564 7.644 -1.465 1.00 10.00 H new ATOM 0 HE21 GLN A 23 8.192 5.994 -0.857 1.00 10.00 H new ATOM 0 HE22 GLN A 23 9.658 5.830 -1.829 1.00 10.00 H new ATOM 395 N GLN A 24 4.248 11.782 -3.319 1.00 10.00 N ATOM 396 CA GLN A 24 3.782 13.092 -3.819 1.00 10.00 C ATOM 397 C GLN A 24 2.371 13.419 -3.306 1.00 10.00 C ATOM 398 O GLN A 24 2.073 14.567 -2.970 1.00 10.00 O ATOM 399 CB GLN A 24 3.758 13.099 -5.357 1.00 10.00 C ATOM 400 CG GLN A 24 5.105 12.721 -5.969 1.00 10.00 C ATOM 401 CD GLN A 24 5.035 12.615 -7.489 1.00 10.00 C ATOM 402 OE1 GLN A 24 5.039 13.601 -8.218 1.00 10.00 O ATOM 403 NE2 GLN A 24 4.963 11.415 -8.024 1.00 10.00 N ATOM 0 H GLN A 24 3.569 11.041 -3.495 1.00 10.00 H new ATOM 0 HA GLN A 24 4.478 13.845 -3.450 1.00 10.00 H new ATOM 0 HB2 GLN A 24 2.996 12.403 -5.708 1.00 10.00 H new ATOM 0 HB3 GLN A 24 3.470 14.090 -5.707 1.00 10.00 H new ATOM 0 HG2 GLN A 24 5.851 13.466 -5.692 1.00 10.00 H new ATOM 0 HG3 GLN A 24 5.437 11.769 -5.555 1.00 10.00 H new ATOM 0 HE21 GLN A 24 4.959 10.589 -7.425 1.00 10.00 H new ATOM 0 HE22 GLN A 24 4.911 11.311 -9.037 1.00 10.00 H new ATOM 412 N ASN A 25 1.528 12.390 -3.189 1.00 10.00 N ATOM 413 CA ASN A 25 0.176 12.442 -2.622 1.00 10.00 C ATOM 414 C ASN A 25 -0.012 11.400 -1.495 1.00 10.00 C ATOM 415 O ASN A 25 -0.610 10.342 -1.717 1.00 10.00 O ATOM 416 CB ASN A 25 -0.874 12.327 -3.746 1.00 10.00 C ATOM 417 CG ASN A 25 -1.252 13.684 -4.306 1.00 10.00 C ATOM 418 OD1 ASN A 25 -0.900 14.058 -5.416 1.00 10.00 O ATOM 419 ND2 ASN A 25 -1.988 14.465 -3.544 1.00 10.00 N ATOM 0 H ASN A 25 1.781 11.453 -3.502 1.00 10.00 H new ATOM 0 HA ASN A 25 0.029 13.411 -2.144 1.00 10.00 H new ATOM 0 HB2 ASN A 25 -0.482 11.700 -4.547 1.00 10.00 H new ATOM 0 HB3 ASN A 25 -1.765 11.832 -3.361 1.00 10.00 H new ATOM 0 HD21 ASN A 25 -2.268 15.387 -3.878 1.00 10.00 H new ATOM 0 HD22 ASN A 25 -2.279 14.148 -2.619 1.00 10.00 H new ATOM 426 N PRO A 26 0.470 11.682 -0.266 1.00 10.00 N ATOM 427 CA PRO A 26 0.360 10.761 0.870 1.00 10.00 C ATOM 428 C PRO A 26 -1.091 10.506 1.311 1.00 10.00 C ATOM 429 O PRO A 26 -1.393 9.457 1.885 1.00 10.00 O ATOM 430 CB PRO A 26 1.202 11.388 1.984 1.00 10.00 C ATOM 431 CG PRO A 26 1.173 12.877 1.659 1.00 10.00 C ATOM 432 CD PRO A 26 1.179 12.890 0.137 1.00 10.00 C ATOM 0 HA PRO A 26 0.722 9.770 0.597 1.00 10.00 H new ATOM 0 HB2 PRO A 26 0.781 11.184 2.968 1.00 10.00 H new ATOM 0 HB3 PRO A 26 2.220 10.998 1.986 1.00 10.00 H new ATOM 0 HG2 PRO A 26 0.285 13.362 2.064 1.00 10.00 H new ATOM 0 HG3 PRO A 26 2.037 13.398 2.071 1.00 10.00 H new ATOM 0 HD2 PRO A 26 0.686 13.782 -0.250 1.00 10.00 H new ATOM 0 HD3 PRO A 26 2.197 12.895 -0.251 1.00 10.00 H new ATOM 440 N SER A 27 -2.010 11.417 0.972 1.00 10.00 N ATOM 441 CA SER A 27 -3.466 11.258 1.096 1.00 10.00 C ATOM 442 C SER A 27 -4.041 10.032 0.365 1.00 10.00 C ATOM 443 O SER A 27 -5.134 9.577 0.709 1.00 10.00 O ATOM 444 CB SER A 27 -4.153 12.531 0.584 1.00 10.00 C ATOM 445 OG SER A 27 -3.687 12.875 -0.718 1.00 10.00 O ATOM 0 H SER A 27 -1.750 12.325 0.587 1.00 10.00 H new ATOM 0 HA SER A 27 -3.666 11.091 2.154 1.00 10.00 H new ATOM 0 HB2 SER A 27 -5.232 12.381 0.560 1.00 10.00 H new ATOM 0 HB3 SER A 27 -3.961 13.354 1.272 1.00 10.00 H new ATOM 0 HG SER A 27 -4.140 13.688 -1.023 1.00 10.00 H new ATOM 451 N LEU A 28 -3.310 9.462 -0.603 1.00 10.00 N ATOM 452 CA LEU A 28 -3.718 8.279 -1.371 1.00 10.00 C ATOM 453 C LEU A 28 -3.108 6.961 -0.859 1.00 10.00 C ATOM 454 O LEU A 28 -3.343 5.920 -1.469 1.00 10.00 O ATOM 455 CB LEU A 28 -3.407 8.496 -2.865 1.00 10.00 C ATOM 456 CG LEU A 28 -4.098 9.708 -3.516 1.00 10.00 C ATOM 457 CD1 LEU A 28 -3.835 9.662 -5.021 1.00 10.00 C ATOM 458 CD2 LEU A 28 -5.614 9.740 -3.310 1.00 10.00 C ATOM 0 H LEU A 28 -2.396 9.820 -0.880 1.00 10.00 H new ATOM 0 HA LEU A 28 -4.793 8.168 -1.231 1.00 10.00 H new ATOM 0 HB2 LEU A 28 -2.329 8.608 -2.981 1.00 10.00 H new ATOM 0 HB3 LEU A 28 -3.695 7.598 -3.412 1.00 10.00 H new ATOM 0 HG LEU A 28 -3.685 10.597 -3.039 1.00 10.00 H new ATOM 0 HD11 LEU A 28 -4.317 10.514 -5.501 1.00 10.00 H new ATOM 0 HD12 LEU A 28 -2.761 9.702 -5.204 1.00 10.00 H new ATOM 0 HD13 LEU A 28 -4.239 8.737 -5.433 1.00 10.00 H new ATOM 0 HD21 LEU A 28 -6.029 10.622 -3.797 1.00 10.00 H new ATOM 0 HD22 LEU A 28 -6.059 8.844 -3.743 1.00 10.00 H new ATOM 0 HD23 LEU A 28 -5.836 9.777 -2.243 1.00 10.00 H new ATOM 470 N LEU A 29 -2.363 6.956 0.254 1.00 10.00 N ATOM 471 CA LEU A 29 -1.912 5.715 0.903 1.00 10.00 C ATOM 472 C LEU A 29 -3.077 4.735 1.193 1.00 10.00 C ATOM 473 O LEU A 29 -3.011 3.593 0.728 1.00 10.00 O ATOM 474 CB LEU A 29 -1.073 6.068 2.146 1.00 10.00 C ATOM 475 CG LEU A 29 -0.524 4.861 2.930 1.00 10.00 C ATOM 476 CD1 LEU A 29 0.304 3.921 2.055 1.00 10.00 C ATOM 477 CD2 LEU A 29 0.358 5.354 4.078 1.00 10.00 C ATOM 0 H LEU A 29 -2.057 7.805 0.728 1.00 10.00 H new ATOM 0 HA LEU A 29 -1.271 5.166 0.213 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -0.234 6.690 1.834 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -1.684 6.670 2.818 1.00 10.00 H new ATOM 0 HG LEU A 29 -1.385 4.307 3.304 1.00 10.00 H new ATOM 0 HD11 LEU A 29 0.666 3.088 2.657 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -0.315 3.539 1.243 1.00 10.00 H new ATOM 0 HD13 LEU A 29 1.153 4.464 1.639 1.00 10.00 H new ATOM 0 HD21 LEU A 29 0.746 4.499 4.632 1.00 10.00 H new ATOM 0 HD22 LEU A 29 1.189 5.933 3.675 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -0.232 5.982 4.746 1.00 10.00 H new ATOM 489 N PRO A 30 -4.183 5.163 1.845 1.00 10.00 N ATOM 490 CA PRO A 30 -5.411 4.368 1.956 1.00 10.00 C ATOM 491 C PRO A 30 -5.913 3.822 0.624 1.00 10.00 C ATOM 492 O PRO A 30 -6.245 2.645 0.496 1.00 10.00 O ATOM 493 CB PRO A 30 -6.468 5.317 2.532 1.00 10.00 C ATOM 494 CG PRO A 30 -5.708 6.457 3.187 1.00 10.00 C ATOM 495 CD PRO A 30 -4.297 6.400 2.607 1.00 10.00 C ATOM 0 HA PRO A 30 -5.213 3.496 2.579 1.00 10.00 H new ATOM 0 HB2 PRO A 30 -7.125 5.689 1.746 1.00 10.00 H new ATOM 0 HB3 PRO A 30 -7.098 4.802 3.258 1.00 10.00 H new ATOM 0 HG2 PRO A 30 -6.180 7.416 2.974 1.00 10.00 H new ATOM 0 HG3 PRO A 30 -5.691 6.344 4.271 1.00 10.00 H new ATOM 0 HD2 PRO A 30 -4.111 7.262 1.967 1.00 10.00 H new ATOM 0 HD3 PRO A 30 -3.554 6.429 3.404 1.00 10.00 H new ATOM 503 N ALA A 31 -5.942 4.694 -0.377 1.00 10.00 N ATOM 504 CA ALA A 31 -6.404 4.407 -1.725 1.00 10.00 C ATOM 505 C ALA A 31 -5.490 3.437 -2.509 1.00 10.00 C ATOM 506 O ALA A 31 -5.929 2.890 -3.522 1.00 10.00 O ATOM 507 CB ALA A 31 -6.598 5.757 -2.426 1.00 10.00 C ATOM 0 H ALA A 31 -5.631 5.659 -0.264 1.00 10.00 H new ATOM 0 HA ALA A 31 -7.348 3.864 -1.681 1.00 10.00 H new ATOM 0 HB1 ALA A 31 -6.946 5.591 -3.446 1.00 10.00 H new ATOM 0 HB2 ALA A 31 -7.336 6.347 -1.882 1.00 10.00 H new ATOM 0 HB3 ALA A 31 -5.650 6.295 -2.449 1.00 10.00 H new ATOM 513 N LEU A 32 -4.262 3.158 -2.038 1.00 10.00 N ATOM 514 CA LEU A 32 -3.368 2.154 -2.629 1.00 10.00 C ATOM 515 C LEU A 32 -3.526 0.815 -1.910 1.00 10.00 C ATOM 516 O LEU A 32 -3.624 -0.225 -2.554 1.00 10.00 O ATOM 517 CB LEU A 32 -1.926 2.667 -2.530 1.00 10.00 C ATOM 518 CG LEU A 32 -0.835 1.669 -2.958 1.00 10.00 C ATOM 519 CD1 LEU A 32 -1.069 1.144 -4.374 1.00 10.00 C ATOM 520 CD2 LEU A 32 0.534 2.354 -2.854 1.00 10.00 C ATOM 0 H LEU A 32 -3.861 3.630 -1.228 1.00 10.00 H new ATOM 0 HA LEU A 32 -3.623 1.995 -3.677 1.00 10.00 H new ATOM 0 HB2 LEU A 32 -1.835 3.563 -3.144 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -1.736 2.966 -1.499 1.00 10.00 H new ATOM 0 HG LEU A 32 -0.870 0.807 -2.292 1.00 10.00 H new ATOM 0 HD11 LEU A 32 -0.277 0.443 -4.638 1.00 10.00 H new ATOM 0 HD12 LEU A 32 -2.033 0.637 -4.419 1.00 10.00 H new ATOM 0 HD13 LEU A 32 -1.064 1.977 -5.076 1.00 10.00 H new ATOM 0 HD21 LEU A 32 1.314 1.655 -3.155 1.00 10.00 H new ATOM 0 HD22 LEU A 32 0.555 3.226 -3.508 1.00 10.00 H new ATOM 0 HD23 LEU A 32 0.706 2.669 -1.825 1.00 10.00 H new ATOM 532 N LEU A 33 -3.645 0.836 -0.582 1.00 10.00 N ATOM 533 CA LEU A 33 -4.010 -0.340 0.209 1.00 10.00 C ATOM 534 C LEU A 33 -5.363 -0.904 -0.258 1.00 10.00 C ATOM 535 O LEU A 33 -5.475 -2.093 -0.556 1.00 10.00 O ATOM 536 CB LEU A 33 -4.024 0.064 1.689 1.00 10.00 C ATOM 537 CG LEU A 33 -2.624 0.426 2.226 1.00 10.00 C ATOM 538 CD1 LEU A 33 -2.748 1.438 3.361 1.00 10.00 C ATOM 539 CD2 LEU A 33 -1.893 -0.819 2.723 1.00 10.00 C ATOM 0 H LEU A 33 -3.490 1.674 -0.022 1.00 10.00 H new ATOM 0 HA LEU A 33 -3.281 -1.139 0.071 1.00 10.00 H new ATOM 0 HB2 LEU A 33 -4.690 0.917 1.821 1.00 10.00 H new ATOM 0 HB3 LEU A 33 -4.434 -0.755 2.280 1.00 10.00 H new ATOM 0 HG LEU A 33 -2.047 0.863 1.411 1.00 10.00 H new ATOM 0 HD11 LEU A 33 -1.755 1.689 3.735 1.00 10.00 H new ATOM 0 HD12 LEU A 33 -3.235 2.340 2.992 1.00 10.00 H new ATOM 0 HD13 LEU A 33 -3.342 1.009 4.168 1.00 10.00 H new ATOM 0 HD21 LEU A 33 -0.908 -0.538 3.097 1.00 10.00 H new ATOM 0 HD22 LEU A 33 -2.467 -1.282 3.526 1.00 10.00 H new ATOM 0 HD23 LEU A 33 -1.781 -1.527 1.902 1.00 10.00 H new ATOM 551 N GLN A 34 -6.366 -0.042 -0.458 1.00 10.00 N ATOM 552 CA GLN A 34 -7.643 -0.427 -1.063 1.00 10.00 C ATOM 553 C GLN A 34 -7.467 -0.996 -2.482 1.00 10.00 C ATOM 554 O GLN A 34 -8.171 -1.932 -2.851 1.00 10.00 O ATOM 555 CB GLN A 34 -8.594 0.783 -1.078 1.00 10.00 C ATOM 556 CG GLN A 34 -10.049 0.372 -1.368 1.00 10.00 C ATOM 557 CD GLN A 34 -10.942 1.572 -1.665 1.00 10.00 C ATOM 558 OE1 GLN A 34 -11.287 1.844 -2.809 1.00 10.00 O ATOM 559 NE2 GLN A 34 -11.349 2.333 -0.671 1.00 10.00 N ATOM 0 H GLN A 34 -6.314 0.944 -0.204 1.00 10.00 H new ATOM 0 HA GLN A 34 -8.074 -1.223 -0.456 1.00 10.00 H new ATOM 0 HB2 GLN A 34 -8.547 1.293 -0.116 1.00 10.00 H new ATOM 0 HB3 GLN A 34 -8.262 1.496 -1.833 1.00 10.00 H new ATOM 0 HG2 GLN A 34 -10.069 -0.311 -2.217 1.00 10.00 H new ATOM 0 HG3 GLN A 34 -10.448 -0.172 -0.512 1.00 10.00 H new ATOM 0 HE21 GLN A 34 -11.068 2.116 0.285 1.00 10.00 H new ATOM 0 HE22 GLN A 34 -11.945 3.139 -0.857 1.00 10.00 H new ATOM 568 N GLN A 35 -6.517 -0.484 -3.275 1.00 10.00 N ATOM 569 CA GLN A 35 -6.310 -0.916 -4.659 1.00 10.00 C ATOM 570 C GLN A 35 -5.620 -2.286 -4.723 1.00 10.00 C ATOM 571 O GLN A 35 -5.968 -3.115 -5.567 1.00 10.00 O ATOM 572 CB GLN A 35 -5.536 0.190 -5.397 1.00 10.00 C ATOM 573 CG GLN A 35 -5.083 -0.202 -6.804 1.00 10.00 C ATOM 574 CD GLN A 35 -4.527 0.987 -7.586 1.00 10.00 C ATOM 575 OE1 GLN A 35 -3.637 1.704 -7.144 1.00 10.00 O ATOM 576 NE2 GLN A 35 -5.018 1.251 -8.779 1.00 10.00 N ATOM 0 H GLN A 35 -5.870 0.244 -2.972 1.00 10.00 H new ATOM 0 HA GLN A 35 -7.268 -1.059 -5.159 1.00 10.00 H new ATOM 0 HB2 GLN A 35 -6.165 1.078 -5.463 1.00 10.00 H new ATOM 0 HB3 GLN A 35 -4.661 0.463 -4.807 1.00 10.00 H new ATOM 0 HG2 GLN A 35 -4.320 -0.977 -6.735 1.00 10.00 H new ATOM 0 HG3 GLN A 35 -5.925 -0.630 -7.348 1.00 10.00 H new ATOM 0 HE21 GLN A 35 -5.759 0.667 -9.166 1.00 10.00 H new ATOM 0 HE22 GLN A 35 -4.657 2.039 -9.316 1.00 10.00 H new ATOM 585 N ILE A 36 -4.726 -2.579 -3.777 1.00 10.00 N ATOM 586 CA ILE A 36 -4.242 -3.940 -3.527 1.00 10.00 C ATOM 587 C ILE A 36 -5.419 -4.835 -3.110 1.00 10.00 C ATOM 588 O ILE A 36 -5.536 -5.937 -3.623 1.00 10.00 O ATOM 589 CB ILE A 36 -3.103 -3.946 -2.493 1.00 10.00 C ATOM 590 CG1 ILE A 36 -1.899 -3.117 -3.004 1.00 10.00 C ATOM 591 CG2 ILE A 36 -2.661 -5.402 -2.209 1.00 10.00 C ATOM 592 CD1 ILE A 36 -0.951 -2.708 -1.875 1.00 10.00 C ATOM 0 H ILE A 36 -4.315 -1.878 -3.160 1.00 10.00 H new ATOM 0 HA ILE A 36 -3.819 -4.346 -4.446 1.00 10.00 H new ATOM 0 HB ILE A 36 -3.467 -3.494 -1.570 1.00 10.00 H new ATOM 0 HG12 ILE A 36 -1.349 -3.698 -3.744 1.00 10.00 H new ATOM 0 HG13 ILE A 36 -2.265 -2.223 -3.509 1.00 10.00 H new ATOM 0 HG21 ILE A 36 -1.854 -5.401 -1.476 1.00 10.00 H new ATOM 0 HG22 ILE A 36 -3.506 -5.969 -1.818 1.00 10.00 H new ATOM 0 HG23 ILE A 36 -2.311 -5.863 -3.133 1.00 10.00 H new ATOM 0 HD11 ILE A 36 -0.124 -2.129 -2.286 1.00 10.00 H new ATOM 0 HD12 ILE A 36 -1.492 -2.103 -1.147 1.00 10.00 H new ATOM 0 HD13 ILE A 36 -0.561 -3.601 -1.386 1.00 10.00 H new ATOM 604 N GLY A 37 -6.354 -4.366 -2.277 1.00 10.00 N ATOM 605 CA GLY A 37 -7.590 -5.095 -1.957 1.00 10.00 C ATOM 606 C GLY A 37 -8.477 -5.437 -3.168 1.00 10.00 C ATOM 607 O GLY A 37 -9.087 -6.508 -3.188 1.00 10.00 O ATOM 0 H GLY A 37 -6.276 -3.466 -1.803 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -7.326 -6.021 -1.446 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -8.174 -4.499 -1.255 1.00 10.00 H new ATOM 611 N ARG A 38 -8.523 -4.579 -4.201 1.00 10.00 N ATOM 612 CA ARG A 38 -9.242 -4.845 -5.470 1.00 10.00 C ATOM 613 C ARG A 38 -8.606 -5.964 -6.308 1.00 10.00 C ATOM 614 O ARG A 38 -9.324 -6.713 -6.969 1.00 10.00 O ATOM 615 CB ARG A 38 -9.342 -3.567 -6.328 1.00 10.00 C ATOM 616 CG ARG A 38 -10.155 -2.437 -5.674 1.00 10.00 C ATOM 617 CD ARG A 38 -10.176 -1.190 -6.567 1.00 10.00 C ATOM 618 NE ARG A 38 -10.716 -0.013 -5.853 1.00 10.00 N ATOM 619 CZ ARG A 38 -10.988 1.170 -6.378 1.00 10.00 C ATOM 620 NH1 ARG A 38 -10.852 1.414 -7.652 1.00 10.00 N ATOM 621 NH2 ARG A 38 -11.401 2.146 -5.623 1.00 10.00 N ATOM 0 H ARG A 38 -8.059 -3.671 -4.184 1.00 10.00 H new ATOM 0 HA ARG A 38 -10.237 -5.178 -5.177 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -8.336 -3.203 -6.538 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -9.796 -3.820 -7.286 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -11.175 -2.776 -5.492 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -9.724 -2.188 -4.704 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -9.165 -0.973 -6.913 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -10.780 -1.387 -7.452 1.00 10.00 H new ATOM 0 HE ARG A 38 -10.897 -0.125 -4.855 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -10.526 0.679 -8.280 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -11.072 2.339 -8.020 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -11.517 2.001 -4.620 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -11.609 3.056 -6.034 1.00 10.00 H new ATOM 635 N GLU A 39 -7.277 -6.090 -6.283 1.00 10.00 N ATOM 636 CA GLU A 39 -6.493 -6.927 -7.197 1.00 10.00 C ATOM 637 C GLU A 39 -5.902 -8.193 -6.542 1.00 10.00 C ATOM 638 O GLU A 39 -5.743 -9.223 -7.201 1.00 10.00 O ATOM 639 CB GLU A 39 -5.354 -6.046 -7.726 1.00 10.00 C ATOM 640 CG GLU A 39 -5.811 -4.991 -8.743 1.00 10.00 C ATOM 641 CD GLU A 39 -6.306 -5.622 -10.060 1.00 10.00 C ATOM 642 OE1 GLU A 39 -5.465 -6.063 -10.882 1.00 10.00 O ATOM 643 OE2 GLU A 39 -7.538 -5.674 -10.291 1.00 10.00 O ATOM 0 H GLU A 39 -6.697 -5.596 -5.604 1.00 10.00 H new ATOM 0 HA GLU A 39 -7.154 -7.290 -7.984 1.00 10.00 H new ATOM 0 HB2 GLU A 39 -4.875 -5.544 -6.886 1.00 10.00 H new ATOM 0 HB3 GLU A 39 -4.600 -6.682 -8.190 1.00 10.00 H new ATOM 0 HG2 GLU A 39 -6.610 -4.392 -8.307 1.00 10.00 H new ATOM 0 HG3 GLU A 39 -4.984 -4.313 -8.956 1.00 10.00 H new ATOM 650 N ASN A 40 -5.592 -8.125 -5.246 1.00 10.00 N ATOM 651 CA ASN A 40 -5.031 -9.184 -4.411 1.00 10.00 C ATOM 652 C ASN A 40 -5.455 -9.003 -2.929 1.00 10.00 C ATOM 653 O ASN A 40 -4.644 -8.588 -2.093 1.00 10.00 O ATOM 654 CB ASN A 40 -3.493 -9.227 -4.562 1.00 10.00 C ATOM 655 CG ASN A 40 -2.943 -10.582 -4.151 1.00 10.00 C ATOM 656 OD1 ASN A 40 -3.472 -11.257 -3.279 1.00 10.00 O ATOM 657 ND2 ASN A 40 -1.880 -11.039 -4.771 1.00 10.00 N ATOM 0 H ASN A 40 -5.738 -7.266 -4.716 1.00 10.00 H new ATOM 0 HA ASN A 40 -5.428 -10.142 -4.747 1.00 10.00 H new ATOM 0 HB2 ASN A 40 -3.220 -9.018 -5.596 1.00 10.00 H new ATOM 0 HB3 ASN A 40 -3.042 -8.446 -3.949 1.00 10.00 H new ATOM 0 HD21 ASN A 40 -1.499 -11.953 -4.525 1.00 10.00 H new ATOM 0 HD22 ASN A 40 -1.435 -10.480 -5.499 1.00 10.00 H new ATOM 664 N PRO A 41 -6.713 -9.308 -2.556 1.00 10.00 N ATOM 665 CA PRO A 41 -7.183 -9.176 -1.172 1.00 10.00 C ATOM 666 C PRO A 41 -6.411 -10.048 -0.167 1.00 10.00 C ATOM 667 O PRO A 41 -6.423 -9.765 1.032 1.00 10.00 O ATOM 668 CB PRO A 41 -8.679 -9.506 -1.217 1.00 10.00 C ATOM 669 CG PRO A 41 -8.809 -10.408 -2.438 1.00 10.00 C ATOM 670 CD PRO A 41 -7.781 -9.821 -3.401 1.00 10.00 C ATOM 0 HA PRO A 41 -7.005 -8.166 -0.803 1.00 10.00 H new ATOM 0 HB2 PRO A 41 -9.006 -10.011 -0.308 1.00 10.00 H new ATOM 0 HB3 PRO A 41 -9.286 -8.606 -1.317 1.00 10.00 H new ATOM 0 HG2 PRO A 41 -8.591 -11.448 -2.198 1.00 10.00 H new ATOM 0 HG3 PRO A 41 -9.816 -10.382 -2.855 1.00 10.00 H new ATOM 0 HD2 PRO A 41 -7.408 -10.580 -4.089 1.00 10.00 H new ATOM 0 HD3 PRO A 41 -8.218 -9.028 -4.008 1.00 10.00 H new ATOM 678 N GLN A 42 -5.703 -11.082 -0.630 1.00 10.00 N ATOM 679 CA GLN A 42 -4.836 -11.931 0.196 1.00 10.00 C ATOM 680 C GLN A 42 -3.496 -11.254 0.502 1.00 10.00 C ATOM 681 O GLN A 42 -3.030 -11.299 1.641 1.00 10.00 O ATOM 682 CB GLN A 42 -4.582 -13.260 -0.525 1.00 10.00 C ATOM 683 CG GLN A 42 -5.897 -13.945 -0.920 1.00 10.00 C ATOM 684 CD GLN A 42 -5.703 -15.364 -1.459 1.00 10.00 C ATOM 685 OE1 GLN A 42 -4.728 -15.693 -2.125 1.00 10.00 O ATOM 686 NE2 GLN A 42 -6.621 -16.271 -1.194 1.00 10.00 N ATOM 0 H GLN A 42 -5.716 -11.359 -1.611 1.00 10.00 H new ATOM 0 HA GLN A 42 -5.347 -12.105 1.143 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -3.981 -13.082 -1.417 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -4.006 -13.922 0.122 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -6.555 -13.981 -0.052 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -6.400 -13.342 -1.676 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -7.441 -16.020 -0.642 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -6.512 -17.224 -1.541 1.00 10.00 H new ATOM 695 N LEU A 43 -2.881 -10.586 -0.482 1.00 10.00 N ATOM 696 CA LEU A 43 -1.726 -9.711 -0.252 1.00 10.00 C ATOM 697 C LEU A 43 -2.101 -8.531 0.645 1.00 10.00 C ATOM 698 O LEU A 43 -1.290 -8.087 1.451 1.00 10.00 O ATOM 699 CB LEU A 43 -1.206 -9.179 -1.600 1.00 10.00 C ATOM 700 CG LEU A 43 0.116 -8.395 -1.532 1.00 10.00 C ATOM 701 CD1 LEU A 43 1.223 -9.125 -0.768 1.00 10.00 C ATOM 702 CD2 LEU A 43 0.598 -8.108 -2.955 1.00 10.00 C ATOM 0 H LEU A 43 -3.170 -10.637 -1.459 1.00 10.00 H new ATOM 0 HA LEU A 43 -0.950 -10.293 0.246 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -1.075 -10.022 -2.278 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -1.969 -8.535 -2.036 1.00 10.00 H new ATOM 0 HG LEU A 43 -0.090 -7.475 -0.985 1.00 10.00 H new ATOM 0 HD11 LEU A 43 2.125 -8.513 -0.761 1.00 10.00 H new ATOM 0 HD12 LEU A 43 0.899 -9.306 0.257 1.00 10.00 H new ATOM 0 HD13 LEU A 43 1.434 -10.077 -1.255 1.00 10.00 H new ATOM 0 HD21 LEU A 43 1.535 -7.552 -2.917 1.00 10.00 H new ATOM 0 HD22 LEU A 43 0.755 -9.049 -3.483 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -0.152 -7.518 -3.481 1.00 10.00 H new ATOM 714 N LEU A 44 -3.336 -8.040 0.528 1.00 10.00 N ATOM 715 CA LEU A 44 -3.790 -6.874 1.296 1.00 10.00 C ATOM 716 C LEU A 44 -3.907 -7.197 2.783 1.00 10.00 C ATOM 717 O LEU A 44 -3.337 -6.523 3.638 1.00 10.00 O ATOM 718 CB LEU A 44 -5.138 -6.408 0.741 1.00 10.00 C ATOM 719 CG LEU A 44 -5.623 -5.019 1.199 1.00 10.00 C ATOM 720 CD1 LEU A 44 -6.660 -5.106 2.309 1.00 10.00 C ATOM 721 CD2 LEU A 44 -4.534 -4.027 1.626 1.00 10.00 C ATOM 0 H LEU A 44 -4.044 -8.432 -0.093 1.00 10.00 H new ATOM 0 HA LEU A 44 -3.053 -6.077 1.195 1.00 10.00 H new ATOM 0 HB2 LEU A 44 -5.078 -6.407 -0.347 1.00 10.00 H new ATOM 0 HB3 LEU A 44 -5.894 -7.143 1.018 1.00 10.00 H new ATOM 0 HG LEU A 44 -6.064 -4.618 0.286 1.00 10.00 H new ATOM 0 HD11 LEU A 44 -6.970 -4.101 2.597 1.00 10.00 H new ATOM 0 HD12 LEU A 44 -7.526 -5.666 1.955 1.00 10.00 H new ATOM 0 HD13 LEU A 44 -6.228 -5.613 3.172 1.00 10.00 H new ATOM 0 HD21 LEU A 44 -4.996 -3.087 1.927 1.00 10.00 H new ATOM 0 HD22 LEU A 44 -3.974 -4.441 2.465 1.00 10.00 H new ATOM 0 HD23 LEU A 44 -3.857 -3.848 0.791 1.00 10.00 H new ATOM 733 N GLN A 45 -4.605 -8.288 3.075 1.00 10.00 N ATOM 734 CA GLN A 45 -4.642 -8.889 4.415 1.00 10.00 C ATOM 735 C GLN A 45 -3.234 -9.176 4.977 1.00 10.00 C ATOM 736 O GLN A 45 -2.981 -8.901 6.149 1.00 10.00 O ATOM 737 CB GLN A 45 -5.502 -10.162 4.393 1.00 10.00 C ATOM 738 CG GLN A 45 -7.000 -9.826 4.313 1.00 10.00 C ATOM 739 CD GLN A 45 -7.841 -11.071 4.049 1.00 10.00 C ATOM 740 OE1 GLN A 45 -8.364 -11.718 4.949 1.00 10.00 O ATOM 741 NE2 GLN A 45 -7.996 -11.455 2.800 1.00 10.00 N ATOM 0 H GLN A 45 -5.168 -8.789 2.387 1.00 10.00 H new ATOM 0 HA GLN A 45 -5.095 -8.163 5.089 1.00 10.00 H new ATOM 0 HB2 GLN A 45 -5.220 -10.779 3.540 1.00 10.00 H new ATOM 0 HB3 GLN A 45 -5.307 -10.750 5.290 1.00 10.00 H new ATOM 0 HG2 GLN A 45 -7.320 -9.361 5.246 1.00 10.00 H new ATOM 0 HG3 GLN A 45 -7.168 -9.098 3.520 1.00 10.00 H new ATOM 0 HE21 GLN A 45 -7.564 -10.922 2.045 1.00 10.00 H new ATOM 0 HE22 GLN A 45 -8.548 -12.286 2.587 1.00 10.00 H new ATOM 750 N GLN A 46 -2.290 -9.649 4.155 1.00 10.00 N ATOM 751 CA GLN A 46 -0.904 -9.898 4.581 1.00 10.00 C ATOM 752 C GLN A 46 -0.111 -8.614 4.860 1.00 10.00 C ATOM 753 O GLN A 46 0.627 -8.551 5.843 1.00 10.00 O ATOM 754 CB GLN A 46 -0.204 -10.731 3.503 1.00 10.00 C ATOM 755 CG GLN A 46 -0.566 -12.214 3.654 1.00 10.00 C ATOM 756 CD GLN A 46 -0.010 -13.053 2.507 1.00 10.00 C ATOM 757 OE1 GLN A 46 1.052 -13.658 2.587 1.00 10.00 O ATOM 758 NE2 GLN A 46 -0.712 -13.113 1.397 1.00 10.00 N ATOM 0 H GLN A 46 -2.464 -9.871 3.175 1.00 10.00 H new ATOM 0 HA GLN A 46 -0.941 -10.437 5.528 1.00 10.00 H new ATOM 0 HB2 GLN A 46 -0.497 -10.378 2.514 1.00 10.00 H new ATOM 0 HB3 GLN A 46 0.876 -10.604 3.580 1.00 10.00 H new ATOM 0 HG2 GLN A 46 -0.176 -12.589 4.600 1.00 10.00 H new ATOM 0 HG3 GLN A 46 -1.650 -12.322 3.691 1.00 10.00 H new ATOM 0 HE21 GLN A 46 -1.597 -12.611 1.326 1.00 10.00 H new ATOM 0 HE22 GLN A 46 -0.372 -13.662 0.607 1.00 10.00 H new ATOM 767 N ILE A 47 -0.290 -7.571 4.049 1.00 10.00 N ATOM 768 CA ILE A 47 0.211 -6.217 4.317 1.00 10.00 C ATOM 769 C ILE A 47 -0.378 -5.673 5.623 1.00 10.00 C ATOM 770 O ILE A 47 0.351 -5.128 6.446 1.00 10.00 O ATOM 771 CB ILE A 47 -0.084 -5.314 3.097 1.00 10.00 C ATOM 772 CG1 ILE A 47 0.936 -5.676 1.994 1.00 10.00 C ATOM 773 CG2 ILE A 47 -0.029 -3.818 3.450 1.00 10.00 C ATOM 774 CD1 ILE A 47 0.564 -5.120 0.622 1.00 10.00 C ATOM 0 H ILE A 47 -0.798 -7.643 3.167 1.00 10.00 H new ATOM 0 HA ILE A 47 1.292 -6.237 4.458 1.00 10.00 H new ATOM 0 HB ILE A 47 -1.101 -5.491 2.747 1.00 10.00 H new ATOM 0 HG12 ILE A 47 1.918 -5.297 2.278 1.00 10.00 H new ATOM 0 HG13 ILE A 47 1.020 -6.761 1.928 1.00 10.00 H new ATOM 0 HG21 ILE A 47 -0.243 -3.226 2.560 1.00 10.00 H new ATOM 0 HG22 ILE A 47 -0.770 -3.598 4.219 1.00 10.00 H new ATOM 0 HG23 ILE A 47 0.965 -3.568 3.822 1.00 10.00 H new ATOM 0 HD11 ILE A 47 1.321 -5.411 -0.106 1.00 10.00 H new ATOM 0 HD12 ILE A 47 -0.404 -5.519 0.318 1.00 10.00 H new ATOM 0 HD13 ILE A 47 0.508 -4.033 0.673 1.00 10.00 H new ATOM 786 N SER A 48 -1.675 -5.876 5.858 1.00 10.00 N ATOM 787 CA SER A 48 -2.380 -5.391 7.058 1.00 10.00 C ATOM 788 C SER A 48 -1.896 -6.074 8.345 1.00 10.00 C ATOM 789 O SER A 48 -1.802 -5.431 9.393 1.00 10.00 O ATOM 790 CB SER A 48 -3.896 -5.575 6.911 1.00 10.00 C ATOM 791 OG SER A 48 -4.374 -4.871 5.777 1.00 10.00 O ATOM 0 H SER A 48 -2.279 -6.388 5.215 1.00 10.00 H new ATOM 0 HA SER A 48 -2.149 -4.329 7.143 1.00 10.00 H new ATOM 0 HB2 SER A 48 -4.132 -6.635 6.815 1.00 10.00 H new ATOM 0 HB3 SER A 48 -4.400 -5.216 7.808 1.00 10.00 H new ATOM 0 HG SER A 48 -4.087 -5.332 4.961 1.00 10.00 H new ATOM 797 N GLN A 49 -1.518 -7.352 8.261 1.00 10.00 N ATOM 798 CA GLN A 49 -0.891 -8.129 9.341 1.00 10.00 C ATOM 799 C GLN A 49 0.521 -7.641 9.741 1.00 10.00 C ATOM 800 O GLN A 49 1.004 -8.010 10.815 1.00 10.00 O ATOM 801 CB GLN A 49 -0.850 -9.607 8.905 1.00 10.00 C ATOM 802 CG GLN A 49 -2.215 -10.298 9.063 1.00 10.00 C ATOM 803 CD GLN A 49 -2.251 -11.712 8.478 1.00 10.00 C ATOM 804 OE1 GLN A 49 -1.466 -12.105 7.622 1.00 10.00 O ATOM 805 NE2 GLN A 49 -3.167 -12.548 8.922 1.00 10.00 N ATOM 0 H GLN A 49 -1.644 -7.897 7.408 1.00 10.00 H new ATOM 0 HA GLN A 49 -1.497 -7.993 10.237 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -0.532 -9.668 7.864 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -0.105 -10.138 9.498 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.470 -10.344 10.122 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -2.979 -9.692 8.577 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -3.832 -12.245 9.634 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -3.212 -13.498 8.554 1.00 10.00 H new ATOM 814 N HIS A 50 1.183 -6.811 8.920 1.00 10.00 N ATOM 815 CA HIS A 50 2.601 -6.437 9.073 1.00 10.00 C ATOM 816 C HIS A 50 2.890 -4.951 8.753 1.00 10.00 C ATOM 817 O HIS A 50 4.038 -4.597 8.475 1.00 10.00 O ATOM 818 CB HIS A 50 3.449 -7.361 8.175 1.00 10.00 C ATOM 819 CG HIS A 50 3.253 -8.837 8.425 1.00 10.00 C ATOM 820 ND1 HIS A 50 2.476 -9.685 7.672 1.00 10.00 N ATOM 821 CD2 HIS A 50 3.797 -9.582 9.437 1.00 10.00 C ATOM 822 CE1 HIS A 50 2.547 -10.914 8.210 1.00 10.00 C ATOM 823 NE2 HIS A 50 3.347 -10.904 9.292 1.00 10.00 N ATOM 0 H HIS A 50 0.740 -6.371 8.114 1.00 10.00 H new ATOM 0 HA HIS A 50 2.866 -6.564 10.123 1.00 10.00 H new ATOM 0 HB2 HIS A 50 3.213 -7.148 7.132 1.00 10.00 H new ATOM 0 HB3 HIS A 50 4.502 -7.119 8.319 1.00 10.00 H new ATOM 0 HD1 HIS A 50 1.937 -9.425 6.846 1.00 10.00 H new ATOM 0 HD2 HIS A 50 4.456 -9.217 10.211 1.00 10.00 H new ATOM 0 HE1 HIS A 50 2.035 -11.785 7.829 1.00 10.00 H new ATOM 831 N GLN A 51 1.865 -4.091 8.746 1.00 10.00 N ATOM 832 CA GLN A 51 1.817 -2.831 7.982 1.00 10.00 C ATOM 833 C GLN A 51 2.917 -1.794 8.282 1.00 10.00 C ATOM 834 O GLN A 51 3.223 -0.969 7.422 1.00 10.00 O ATOM 835 CB GLN A 51 0.409 -2.226 8.136 1.00 10.00 C ATOM 836 CG GLN A 51 0.018 -1.335 6.947 1.00 10.00 C ATOM 837 CD GLN A 51 -1.422 -0.839 7.072 1.00 10.00 C ATOM 838 OE1 GLN A 51 -1.716 0.140 7.746 1.00 10.00 O ATOM 839 NE2 GLN A 51 -2.378 -1.495 6.446 1.00 10.00 N ATOM 0 H GLN A 51 1.017 -4.255 9.288 1.00 10.00 H new ATOM 0 HA GLN A 51 2.031 -3.100 6.947 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -0.319 -3.030 8.238 1.00 10.00 H new ATOM 0 HB3 GLN A 51 0.367 -1.640 9.054 1.00 10.00 H new ATOM 0 HG2 GLN A 51 0.695 -0.482 6.891 1.00 10.00 H new ATOM 0 HG3 GLN A 51 0.133 -1.894 6.018 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -2.150 -2.313 5.881 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -3.346 -1.185 6.527 1.00 10.00 H new ATOM 848 N GLU A 52 3.571 -1.842 9.445 1.00 10.00 N ATOM 849 CA GLU A 52 4.763 -1.038 9.735 1.00 10.00 C ATOM 850 C GLU A 52 5.899 -1.289 8.719 1.00 10.00 C ATOM 851 O GLU A 52 6.545 -0.344 8.257 1.00 10.00 O ATOM 852 CB GLU A 52 5.204 -1.354 11.172 1.00 10.00 C ATOM 853 CG GLU A 52 6.303 -0.405 11.649 1.00 10.00 C ATOM 854 CD GLU A 52 6.653 -0.652 13.129 1.00 10.00 C ATOM 855 OE1 GLU A 52 7.526 -1.506 13.419 1.00 10.00 O ATOM 856 OE2 GLU A 52 6.060 0.011 14.017 1.00 10.00 O ATOM 0 H GLU A 52 3.287 -2.444 10.218 1.00 10.00 H new ATOM 0 HA GLU A 52 4.521 0.021 9.643 1.00 10.00 H new ATOM 0 HB2 GLU A 52 4.346 -1.282 11.840 1.00 10.00 H new ATOM 0 HB3 GLU A 52 5.563 -2.382 11.225 1.00 10.00 H new ATOM 0 HG2 GLU A 52 7.194 -0.539 11.035 1.00 10.00 H new ATOM 0 HG3 GLU A 52 5.978 0.627 11.517 1.00 10.00 H new ATOM 863 N HIS A 53 6.096 -2.547 8.305 1.00 10.00 N ATOM 864 CA HIS A 53 7.047 -2.927 7.254 1.00 10.00 C ATOM 865 C HIS A 53 6.626 -2.376 5.886 1.00 10.00 C ATOM 866 O HIS A 53 7.469 -1.888 5.132 1.00 10.00 O ATOM 867 CB HIS A 53 7.167 -4.457 7.171 1.00 10.00 C ATOM 868 CG HIS A 53 7.584 -5.121 8.457 1.00 10.00 C ATOM 869 ND1 HIS A 53 6.734 -5.592 9.430 1.00 10.00 N ATOM 870 CD2 HIS A 53 8.860 -5.404 8.861 1.00 10.00 C ATOM 871 CE1 HIS A 53 7.476 -6.150 10.402 1.00 10.00 C ATOM 872 NE2 HIS A 53 8.784 -6.064 10.095 1.00 10.00 N ATOM 0 H HIS A 53 5.591 -3.342 8.697 1.00 10.00 H new ATOM 0 HA HIS A 53 8.013 -2.496 7.517 1.00 10.00 H new ATOM 0 HB2 HIS A 53 6.207 -4.868 6.859 1.00 10.00 H new ATOM 0 HB3 HIS A 53 7.889 -4.711 6.395 1.00 10.00 H new ATOM 0 HD1 HIS A 53 5.716 -5.529 9.416 1.00 10.00 H new ATOM 0 HD2 HIS A 53 9.765 -5.162 8.324 1.00 10.00 H new ATOM 0 HE1 HIS A 53 7.080 -6.602 11.299 1.00 10.00 H new ATOM 880 N PHE A 54 5.323 -2.404 5.572 1.00 10.00 N ATOM 881 CA PHE A 54 4.796 -1.843 4.326 1.00 10.00 C ATOM 882 C PHE A 54 5.073 -0.342 4.250 1.00 10.00 C ATOM 883 O PHE A 54 5.675 0.107 3.281 1.00 10.00 O ATOM 884 CB PHE A 54 3.295 -2.122 4.187 1.00 10.00 C ATOM 885 CG PHE A 54 2.705 -1.595 2.891 1.00 10.00 C ATOM 886 CD1 PHE A 54 2.867 -2.327 1.702 1.00 10.00 C ATOM 887 CD2 PHE A 54 2.015 -0.366 2.862 1.00 10.00 C ATOM 888 CE1 PHE A 54 2.336 -1.844 0.492 1.00 10.00 C ATOM 889 CE2 PHE A 54 1.487 0.118 1.651 1.00 10.00 C ATOM 890 CZ PHE A 54 1.644 -0.621 0.467 1.00 10.00 C ATOM 0 H PHE A 54 4.610 -2.815 6.174 1.00 10.00 H new ATOM 0 HA PHE A 54 5.308 -2.330 3.496 1.00 10.00 H new ATOM 0 HB2 PHE A 54 3.125 -3.197 4.245 1.00 10.00 H new ATOM 0 HB3 PHE A 54 2.769 -1.670 5.028 1.00 10.00 H new ATOM 0 HD1 PHE A 54 3.402 -3.265 1.717 1.00 10.00 H new ATOM 0 HD2 PHE A 54 1.892 0.205 3.771 1.00 10.00 H new ATOM 0 HE1 PHE A 54 2.460 -2.413 -0.418 1.00 10.00 H new ATOM 0 HE2 PHE A 54 0.960 1.060 1.632 1.00 10.00 H new ATOM 0 HZ PHE A 54 1.234 -0.250 -0.461 1.00 10.00 H new ATOM 900 N ILE A 55 4.704 0.418 5.288 1.00 10.00 N ATOM 901 CA ILE A 55 4.915 1.874 5.349 1.00 10.00 C ATOM 902 C ILE A 55 6.410 2.236 5.301 1.00 10.00 C ATOM 903 O ILE A 55 6.770 3.239 4.682 1.00 10.00 O ATOM 904 CB ILE A 55 4.172 2.489 6.545 1.00 10.00 C ATOM 905 CG1 ILE A 55 2.655 2.348 6.271 1.00 10.00 C ATOM 906 CG2 ILE A 55 4.569 3.958 6.792 1.00 10.00 C ATOM 907 CD1 ILE A 55 1.764 2.851 7.402 1.00 10.00 C ATOM 0 H ILE A 55 4.247 0.039 6.117 1.00 10.00 H new ATOM 0 HA ILE A 55 4.479 2.321 4.456 1.00 10.00 H new ATOM 0 HB ILE A 55 4.446 1.959 7.457 1.00 10.00 H new ATOM 0 HG12 ILE A 55 2.410 2.895 5.360 1.00 10.00 H new ATOM 0 HG13 ILE A 55 2.427 1.299 6.084 1.00 10.00 H new ATOM 0 HG21 ILE A 55 4.016 4.345 7.648 1.00 10.00 H new ATOM 0 HG22 ILE A 55 5.638 4.017 6.994 1.00 10.00 H new ATOM 0 HG23 ILE A 55 4.334 4.552 5.909 1.00 10.00 H new ATOM 0 HD11 ILE A 55 0.718 2.715 7.129 1.00 10.00 H new ATOM 0 HD12 ILE A 55 1.977 2.288 8.311 1.00 10.00 H new ATOM 0 HD13 ILE A 55 1.959 3.909 7.576 1.00 10.00 H new ATOM 919 N GLN A 56 7.307 1.429 5.874 1.00 10.00 N ATOM 920 CA GLN A 56 8.741 1.621 5.744 1.00 10.00 C ATOM 921 C GLN A 56 9.257 1.369 4.313 1.00 10.00 C ATOM 922 O GLN A 56 10.074 2.153 3.830 1.00 10.00 O ATOM 923 CB GLN A 56 9.384 0.695 6.774 1.00 10.00 C ATOM 924 CG GLN A 56 10.906 0.697 6.773 1.00 10.00 C ATOM 925 CD GLN A 56 11.532 2.055 7.095 1.00 10.00 C ATOM 926 OE1 GLN A 56 11.842 2.374 8.236 1.00 10.00 O ATOM 927 NE2 GLN A 56 11.746 2.907 6.112 1.00 10.00 N ATOM 0 H GLN A 56 7.050 0.622 6.443 1.00 10.00 H new ATOM 0 HA GLN A 56 9.008 2.661 5.933 1.00 10.00 H new ATOM 0 HB2 GLN A 56 9.035 0.981 7.766 1.00 10.00 H new ATOM 0 HB3 GLN A 56 9.036 -0.322 6.594 1.00 10.00 H new ATOM 0 HG2 GLN A 56 11.259 -0.035 7.499 1.00 10.00 H new ATOM 0 HG3 GLN A 56 11.258 0.370 5.794 1.00 10.00 H new ATOM 0 HE21 GLN A 56 11.493 2.657 5.156 1.00 10.00 H new ATOM 0 HE22 GLN A 56 12.164 3.817 6.307 1.00 10.00 H new ATOM 936 N MET A 57 8.782 0.331 3.611 1.00 10.00 N ATOM 937 CA MET A 57 9.133 0.075 2.200 1.00 10.00 C ATOM 938 C MET A 57 8.587 1.178 1.279 1.00 10.00 C ATOM 939 O MET A 57 9.303 1.746 0.458 1.00 10.00 O ATOM 940 CB MET A 57 8.632 -1.314 1.768 1.00 10.00 C ATOM 941 CG MET A 57 9.427 -2.431 2.459 1.00 10.00 C ATOM 942 SD MET A 57 8.879 -4.123 2.088 1.00 10.00 S ATOM 943 CE MET A 57 9.619 -4.353 0.448 1.00 10.00 C ATOM 0 H MET A 57 8.141 -0.359 4.003 1.00 10.00 H new ATOM 0 HA MET A 57 10.219 0.089 2.110 1.00 10.00 H new ATOM 0 HB2 MET A 57 7.574 -1.413 2.011 1.00 10.00 H new ATOM 0 HB3 MET A 57 8.722 -1.416 0.686 1.00 10.00 H new ATOM 0 HG2 MET A 57 10.475 -2.336 2.175 1.00 10.00 H new ATOM 0 HG3 MET A 57 9.374 -2.278 3.537 1.00 10.00 H new ATOM 0 HE1 MET A 57 9.406 -5.360 0.091 1.00 10.00 H new ATOM 0 HE2 MET A 57 9.199 -3.625 -0.246 1.00 10.00 H new ATOM 0 HE3 MET A 57 10.698 -4.212 0.513 1.00 10.00 H new ATOM 953 N LEU A 58 7.335 1.574 1.493 1.00 10.00 N ATOM 954 CA LEU A 58 6.634 2.740 0.951 1.00 10.00 C ATOM 955 C LEU A 58 7.383 4.084 1.148 1.00 10.00 C ATOM 956 O LEU A 58 7.163 5.036 0.400 1.00 10.00 O ATOM 957 CB LEU A 58 5.271 2.624 1.638 1.00 10.00 C ATOM 958 CG LEU A 58 4.141 3.618 1.414 1.00 10.00 C ATOM 959 CD1 LEU A 58 4.224 4.784 2.405 1.00 10.00 C ATOM 960 CD2 LEU A 58 4.014 4.053 -0.042 1.00 10.00 C ATOM 0 H LEU A 58 6.725 1.036 2.109 1.00 10.00 H new ATOM 0 HA LEU A 58 6.552 2.746 -0.136 1.00 10.00 H new ATOM 0 HB2 LEU A 58 4.876 1.643 1.376 1.00 10.00 H new ATOM 0 HB3 LEU A 58 5.465 2.614 2.710 1.00 10.00 H new ATOM 0 HG LEU A 58 3.204 3.102 1.625 1.00 10.00 H new ATOM 0 HD11 LEU A 58 3.404 5.478 2.220 1.00 10.00 H new ATOM 0 HD12 LEU A 58 4.154 4.402 3.423 1.00 10.00 H new ATOM 0 HD13 LEU A 58 5.174 5.303 2.277 1.00 10.00 H new ATOM 0 HD21 LEU A 58 3.192 4.762 -0.140 1.00 10.00 H new ATOM 0 HD22 LEU A 58 4.942 4.527 -0.362 1.00 10.00 H new ATOM 0 HD23 LEU A 58 3.818 3.181 -0.666 1.00 10.00 H new ATOM 972 N ASN A 59 8.340 4.139 2.081 1.00 10.00 N ATOM 973 CA ASN A 59 9.207 5.293 2.356 1.00 10.00 C ATOM 974 C ASN A 59 10.650 5.146 1.812 1.00 10.00 C ATOM 975 O ASN A 59 11.449 6.076 1.948 1.00 10.00 O ATOM 976 CB ASN A 59 9.171 5.570 3.874 1.00 10.00 C ATOM 977 CG ASN A 59 8.064 6.547 4.236 1.00 10.00 C ATOM 978 OD1 ASN A 59 8.225 7.757 4.166 1.00 10.00 O ATOM 979 ND2 ASN A 59 6.909 6.063 4.624 1.00 10.00 N ATOM 0 H ASN A 59 8.541 3.347 2.692 1.00 10.00 H new ATOM 0 HA ASN A 59 8.817 6.152 1.810 1.00 10.00 H new ATOM 0 HB2 ASN A 59 9.022 4.634 4.412 1.00 10.00 H new ATOM 0 HB3 ASN A 59 10.132 5.972 4.194 1.00 10.00 H new ATOM 0 HD21 ASN A 59 6.147 6.696 4.867 1.00 10.00 H new ATOM 0 HD22 ASN A 59 6.773 5.054 4.683 1.00 10.00 H new ATOM 986 N GLU A 60 11.007 4.023 1.179 1.00 10.00 N ATOM 987 CA GLU A 60 12.305 3.850 0.501 1.00 10.00 C ATOM 988 C GLU A 60 12.426 4.694 -0.789 1.00 10.00 C ATOM 989 O GLU A 60 11.413 4.972 -1.447 1.00 10.00 O ATOM 990 CB GLU A 60 12.518 2.379 0.098 1.00 10.00 C ATOM 991 CG GLU A 60 12.698 1.420 1.279 1.00 10.00 C ATOM 992 CD GLU A 60 12.907 -0.033 0.795 1.00 10.00 C ATOM 993 OE1 GLU A 60 12.027 -0.586 0.086 1.00 10.00 O ATOM 994 OE2 GLU A 60 13.957 -0.634 1.128 1.00 10.00 O ATOM 0 H GLU A 60 10.404 3.203 1.120 1.00 10.00 H new ATOM 0 HA GLU A 60 13.055 4.180 1.220 1.00 10.00 H new ATOM 0 HB2 GLU A 60 11.665 2.050 -0.495 1.00 10.00 H new ATOM 0 HB3 GLU A 60 13.396 2.314 -0.544 1.00 10.00 H new ATOM 0 HG2 GLU A 60 13.554 1.733 1.877 1.00 10.00 H new ATOM 0 HG3 GLU A 60 11.822 1.468 1.926 1.00 10.00 H new ATOM 1001 N PRO A 61 13.659 5.021 -1.229 1.00 10.00 N ATOM 1002 CA PRO A 61 13.924 5.456 -2.598 1.00 10.00 C ATOM 1003 C PRO A 61 13.702 4.275 -3.559 1.00 10.00 C ATOM 1004 O PRO A 61 14.345 3.229 -3.440 1.00 10.00 O ATOM 1005 CB PRO A 61 15.364 5.968 -2.590 1.00 10.00 C ATOM 1006 CG PRO A 61 16.035 5.152 -1.491 1.00 10.00 C ATOM 1007 CD PRO A 61 14.910 4.866 -0.499 1.00 10.00 C ATOM 0 HA PRO A 61 13.257 6.246 -2.942 1.00 10.00 H new ATOM 0 HB2 PRO A 61 15.848 5.814 -3.554 1.00 10.00 H new ATOM 0 HB3 PRO A 61 15.407 7.036 -2.378 1.00 10.00 H new ATOM 0 HG2 PRO A 61 16.463 4.230 -1.884 1.00 10.00 H new ATOM 0 HG3 PRO A 61 16.848 5.707 -1.023 1.00 10.00 H new ATOM 0 HD2 PRO A 61 14.999 3.858 -0.093 1.00 10.00 H new ATOM 0 HD3 PRO A 61 14.954 5.555 0.345 1.00 10.00 H new ATOM 1015 N VAL A 62 12.756 4.416 -4.492 1.00 10.00 N ATOM 1016 CA VAL A 62 12.179 3.301 -5.265 1.00 10.00 C ATOM 1017 C VAL A 62 13.155 2.556 -6.190 1.00 10.00 C ATOM 1018 O VAL A 62 12.915 1.390 -6.510 1.00 10.00 O ATOM 1019 CB VAL A 62 10.956 3.787 -6.062 1.00 10.00 C ATOM 1020 CG1 VAL A 62 9.889 4.372 -5.127 1.00 10.00 C ATOM 1021 CG2 VAL A 62 11.298 4.825 -7.139 1.00 10.00 C ATOM 0 H VAL A 62 12.359 5.323 -4.739 1.00 10.00 H new ATOM 0 HA VAL A 62 11.888 2.563 -4.517 1.00 10.00 H new ATOM 0 HB VAL A 62 10.571 2.902 -6.569 1.00 10.00 H new ATOM 0 HG11 VAL A 62 9.035 4.708 -5.715 1.00 10.00 H new ATOM 0 HG12 VAL A 62 9.565 3.607 -4.421 1.00 10.00 H new ATOM 0 HG13 VAL A 62 10.308 5.217 -4.580 1.00 10.00 H new ATOM 0 HG21 VAL A 62 10.388 5.122 -7.660 1.00 10.00 H new ATOM 0 HG22 VAL A 62 11.750 5.700 -6.671 1.00 10.00 H new ATOM 0 HG23 VAL A 62 12.000 4.392 -7.852 1.00 10.00 H new ATOM 1031 N GLN A 63 14.250 3.203 -6.606 1.00 10.00 N ATOM 1032 CA GLN A 63 15.323 2.613 -7.428 1.00 10.00 C ATOM 1033 C GLN A 63 16.710 3.182 -7.080 1.00 10.00 C ATOM 1034 O GLN A 63 17.679 2.427 -6.989 1.00 10.00 O ATOM 1035 CB GLN A 63 15.048 2.856 -8.928 1.00 10.00 C ATOM 1036 CG GLN A 63 13.844 2.080 -9.482 1.00 10.00 C ATOM 1037 CD GLN A 63 13.716 2.238 -10.996 1.00 10.00 C ATOM 1038 OE1 GLN A 63 13.311 3.273 -11.511 1.00 10.00 O ATOM 1039 NE2 GLN A 63 14.052 1.228 -11.774 1.00 10.00 N ATOM 0 H GLN A 63 14.423 4.181 -6.375 1.00 10.00 H new ATOM 0 HA GLN A 63 15.328 1.545 -7.212 1.00 10.00 H new ATOM 0 HB2 GLN A 63 14.884 3.922 -9.088 1.00 10.00 H new ATOM 0 HB3 GLN A 63 15.936 2.582 -9.498 1.00 10.00 H new ATOM 0 HG2 GLN A 63 13.947 1.024 -9.234 1.00 10.00 H new ATOM 0 HG3 GLN A 63 12.932 2.433 -9.001 1.00 10.00 H new ATOM 0 HE21 GLN A 63 14.391 0.358 -11.363 1.00 10.00 H new ATOM 0 HE22 GLN A 63 13.973 1.316 -12.787 1.00 10.00 H new ATOM 1048 N GLU A 64 16.817 4.500 -6.859 1.00 10.00 N ATOM 1049 CA GLU A 64 18.076 5.215 -6.590 1.00 10.00 C ATOM 1050 C GLU A 64 17.851 6.353 -5.567 1.00 10.00 C ATOM 1051 O GLU A 64 16.928 7.152 -5.737 1.00 10.00 O ATOM 1052 CB GLU A 64 18.623 5.822 -7.899 1.00 10.00 C ATOM 1053 CG GLU A 64 19.106 4.775 -8.912 1.00 10.00 C ATOM 1054 CD GLU A 64 19.739 5.451 -10.143 1.00 10.00 C ATOM 1055 OE1 GLU A 64 19.010 5.761 -11.117 1.00 10.00 O ATOM 1056 OE2 GLU A 64 20.976 5.675 -10.152 1.00 10.00 O ATOM 0 H GLU A 64 16.006 5.118 -6.862 1.00 10.00 H new ATOM 0 HA GLU A 64 18.792 4.502 -6.181 1.00 10.00 H new ATOM 0 HB2 GLU A 64 17.844 6.429 -8.361 1.00 10.00 H new ATOM 0 HB3 GLU A 64 19.449 6.492 -7.661 1.00 10.00 H new ATOM 0 HG2 GLU A 64 19.834 4.115 -8.440 1.00 10.00 H new ATOM 0 HG3 GLU A 64 18.268 4.152 -9.225 1.00 10.00 H new ATOM 1063 N ALA A 65 18.647 6.508 -4.503 1.00 10.00 N ATOM 1064 CA ALA A 65 19.722 5.620 -4.025 1.00 10.00 C ATOM 1065 C ALA A 65 19.946 5.654 -2.491 1.00 10.00 C ATOM 1066 O ALA A 65 20.530 4.718 -1.940 1.00 10.00 O ATOM 1067 CB ALA A 65 21.021 5.993 -4.757 1.00 10.00 C ATOM 0 H ALA A 65 18.551 7.326 -3.901 1.00 10.00 H new ATOM 0 HA ALA A 65 19.415 4.598 -4.247 1.00 10.00 H new ATOM 0 HB1 ALA A 65 21.829 5.346 -4.416 1.00 10.00 H new ATOM 0 HB2 ALA A 65 20.883 5.866 -5.831 1.00 10.00 H new ATOM 0 HB3 ALA A 65 21.273 7.032 -4.544 1.00 10.00 H new ATOM 1073 N GLY A 66 19.476 6.693 -1.789 1.00 10.00 N ATOM 1074 CA GLY A 66 19.588 6.830 -0.329 1.00 10.00 C ATOM 1075 C GLY A 66 19.042 8.162 0.202 1.00 10.00 C ATOM 1076 O GLY A 66 18.644 9.039 -0.571 1.00 10.00 O ATOM 0 H GLY A 66 18.997 7.479 -2.228 1.00 10.00 H new ATOM 0 HA2 GLY A 66 19.051 6.010 0.148 1.00 10.00 H new ATOM 0 HA3 GLY A 66 20.635 6.735 -0.042 1.00 10.00 H new ATOM 1080 N GLY A 67 19.024 8.315 1.529 1.00 10.00 N ATOM 1081 CA GLY A 67 18.578 9.531 2.223 1.00 10.00 C ATOM 1082 C GLY A 67 18.440 9.355 3.746 1.00 10.00 C ATOM 1083 O GLY A 67 18.651 8.263 4.275 1.00 10.00 O ATOM 0 H GLY A 67 19.326 7.580 2.168 1.00 10.00 H new ATOM 0 HA2 GLY A 67 19.286 10.335 2.021 1.00 10.00 H new ATOM 0 HA3 GLY A 67 17.617 9.842 1.813 1.00 10.00 H new ATOM 1087 N GLN A 68 18.078 10.399 4.501 1.00 10.00 N ATOM 1088 CA GLN A 68 17.875 11.789 4.052 1.00 10.00 C ATOM 1089 C GLN A 68 19.198 12.521 3.740 1.00 10.00 C ATOM 1090 O GLN A 68 19.224 13.412 2.888 1.00 10.00 O ATOM 1091 CB GLN A 68 17.061 12.521 5.139 1.00 10.00 C ATOM 1092 CG GLN A 68 16.597 13.942 4.764 1.00 10.00 C ATOM 1093 CD GLN A 68 17.459 15.047 5.380 1.00 10.00 C ATOM 1094 OE1 GLN A 68 17.229 15.506 6.493 1.00 10.00 O ATOM 1095 NE2 GLN A 68 18.475 15.529 4.694 1.00 10.00 N ATOM 0 H GLN A 68 17.908 10.294 5.501 1.00 10.00 H new ATOM 0 HA GLN A 68 17.329 11.782 3.109 1.00 10.00 H new ATOM 0 HB2 GLN A 68 16.183 11.921 5.379 1.00 10.00 H new ATOM 0 HB3 GLN A 68 17.665 12.580 6.045 1.00 10.00 H new ATOM 0 HG2 GLN A 68 16.609 14.045 3.679 1.00 10.00 H new ATOM 0 HG3 GLN A 68 15.564 14.075 5.086 1.00 10.00 H new ATOM 0 HE21 GLN A 68 18.684 15.161 3.766 1.00 10.00 H new ATOM 0 HE22 GLN A 68 19.053 16.270 5.091 1.00 10.00 H new ATOM 1104 N GLY A 69 20.296 12.136 4.397 1.00 10.00 N ATOM 1105 CA GLY A 69 21.635 12.713 4.216 1.00 10.00 C ATOM 1106 C GLY A 69 22.641 12.247 5.279 1.00 10.00 C ATOM 1107 O GLY A 69 22.291 11.495 6.195 1.00 10.00 O ATOM 0 H GLY A 69 20.279 11.390 5.092 1.00 10.00 H new ATOM 0 HA2 GLY A 69 22.009 12.445 3.228 1.00 10.00 H new ATOM 0 HA3 GLY A 69 21.562 13.800 4.245 1.00 10.00 H new ATOM 1111 N GLY A 70 23.894 12.697 5.158 1.00 10.00 N ATOM 1112 CA GLY A 70 24.965 12.455 6.143 1.00 10.00 C ATOM 1113 C GLY A 70 26.384 12.425 5.557 1.00 10.00 C ATOM 1114 O GLY A 70 27.348 12.747 6.256 1.00 10.00 O ATOM 0 H GLY A 70 24.203 13.251 4.359 1.00 10.00 H new ATOM 0 HA2 GLY A 70 24.919 13.231 6.907 1.00 10.00 H new ATOM 0 HA3 GLY A 70 24.773 11.505 6.642 1.00 10.00 H new ATOM 1118 N GLY A 71 26.521 12.063 4.277 1.00 10.00 N ATOM 1119 CA GLY A 71 27.806 11.977 3.567 1.00 10.00 C ATOM 1120 C GLY A 71 27.719 11.338 2.168 1.00 10.00 C ATOM 1121 O GLY A 71 28.172 11.943 1.194 1.00 10.00 O ATOM 0 H GLY A 71 25.724 11.815 3.690 1.00 10.00 H new ATOM 0 HA2 GLY A 71 28.221 12.980 3.470 1.00 10.00 H new ATOM 0 HA3 GLY A 71 28.504 11.400 4.174 1.00 10.00 H new ATOM 1125 N GLY A 72 27.121 10.151 1.994 1.00 10.00 N ATOM 1126 CA GLY A 72 26.576 9.245 3.022 1.00 10.00 C ATOM 1127 C GLY A 72 26.307 7.839 2.486 1.00 10.00 C ATOM 1128 O GLY A 72 26.858 6.871 3.057 1.00 10.00 O ATOM 1129 OXT GLY A 72 25.549 7.714 1.498 1.00 10.00 O ATOM 0 H GLY A 72 26.995 9.767 1.058 1.00 10.00 H new ATOM 0 HA2 GLY A 72 27.276 9.184 3.855 1.00 10.00 H new ATOM 0 HA3 GLY A 72 25.649 9.663 3.415 1.00 10.00 H new TER 1133 GLY A 72