USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 810 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 138 THR OG1 : rot 101:sc= 1.2 USER MOD Set 1.2: A 142 GLN : amide:sc= -0.477 X(o=0.72,f=0.35) USER MOD Set 2.1: A 135 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 139 GLN : amide:sc= -0.965 X(o=-0.97,f=-0.81) USER MOD Set 3.1: A 3 SER OG : rot -113:sc= 0.461 USER MOD Set 3.2: A 37 ASN :FLIP amide:sc= -6.36! F(o=-6.9,f=-5.9!) USER MOD Single : A 9 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.0084) USER MOD Single : A 12 THR OG1 : rot -170:sc= -0.0251 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 8:sc= -0.559 USER MOD Single : A 23 GLN : amide:sc= -1.63 K(o=-1.6,f=-2.5!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 29 THR OG1 : rot -110:sc= -1.34! USER MOD Single : A 33 GLN : amide:sc= -4.39! C(o=-4.4!,f=-5!) USER MOD Single : A 41 MET CE :methyl 171:sc= -3.26 (180deg=-3.82!) USER MOD Single : A 42 THR OG1 : rot -176:sc= 0.438 USER MOD Single : A 51 SER OG : rot 126:sc= -4.19! USER MOD Single : A 52 HIS :FLIP no HE2:sc= -7.87! C(o=-10!,f=-7.9!) USER MOD Single : A 55 ASN : amide:sc= -9.95! C(o=-9.9!,f=-11!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -20:sc= 0.841 USER MOD Single : A 61 LYS NZ :NH3+ -128:sc= -0.49 (180deg=-0.807) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.308 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.746 F(o=-2.4!,f=-0.75) USER MOD Single : A 69 SER OG : rot 161:sc= 0.445 USER MOD Single : A 74 CYS SG : rot -54:sc= -0.163 USER MOD Single : A 89 CYS SG : rot 130:sc= -2.34 USER MOD Single : A 91 GLN : amide:sc= -0.58 X(o=-0.58,f=-0.95) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 146:sc= -3.3! (180deg=-5.48!) USER MOD Single : A 107 HIS : no HE2:sc= -6.31! C(o=-6.3!,f=-6.1!) USER MOD Single : A 110 HIS :FLIP no HD1:sc= -0.495 F(o=-1.6,f=-0.5) USER MOD Single : A 111 MET CE :methyl 179:sc= -10.4! (180deg=-10.5!) USER MOD Single : A 114 HIS : no HE2:sc= -8.36! C(o=-8.4!,f=-9.5!) USER MOD Single : A 116 SER OG : rot 54:sc= 1.31 USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 TYR OH : rot 67:sc= -1.49 USER MOD Single : A 124 HIS : no HD1:sc= -0.421 X(o=-0.42,f=-0.76) USER MOD Single : A 133 MET CE :methyl 143:sc= -9.26! (180deg=-13.5!) USER MOD Single : A 141 MET CE :methyl -138:sc= -11.3! (180deg=-12.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 4.877 5.093 -15.551 1.00 1.94 N ATOM 2 CA SER A 3 4.856 6.010 -14.381 1.00 1.63 C ATOM 3 C SER A 3 4.567 5.250 -13.091 1.00 1.31 C ATOM 4 O SER A 3 4.465 4.023 -13.093 1.00 1.66 O ATOM 5 CB SER A 3 3.783 7.075 -14.619 1.00 1.81 C ATOM 6 OG SER A 3 4.240 8.069 -15.519 1.00 2.13 O ATOM 0 HA SER A 3 5.834 6.478 -14.273 1.00 1.63 H new ATOM 0 HB2 SER A 3 2.883 6.606 -15.017 1.00 1.81 H new ATOM 0 HB3 SER A 3 3.509 7.537 -13.671 1.00 1.81 H new ATOM 0 HG SER A 3 4.330 8.922 -15.046 1.00 2.13 H new ATOM 12 N VAL A 4 4.431 5.983 -11.991 1.00 1.30 N ATOM 13 CA VAL A 4 4.148 5.366 -10.701 1.00 1.06 C ATOM 14 C VAL A 4 2.654 5.399 -10.408 1.00 0.93 C ATOM 15 O VAL A 4 2.139 6.360 -9.837 1.00 1.44 O ATOM 16 CB VAL A 4 4.928 6.038 -9.545 1.00 1.68 C ATOM 17 CG1 VAL A 4 4.596 7.521 -9.428 1.00 1.82 C ATOM 18 CG2 VAL A 4 4.652 5.323 -8.232 1.00 2.29 C ATOM 0 H VAL A 4 4.512 7.000 -11.967 1.00 1.30 H new ATOM 0 HA VAL A 4 4.482 4.330 -10.765 1.00 1.06 H new ATOM 0 HB VAL A 4 5.991 5.957 -9.773 1.00 1.68 H new ATOM 0 HG11 VAL A 4 5.163 7.957 -8.606 1.00 1.82 H new ATOM 0 HG12 VAL A 4 4.858 8.027 -10.357 1.00 1.82 H new ATOM 0 HG13 VAL A 4 3.530 7.641 -9.237 1.00 1.82 H new ATOM 0 HG21 VAL A 4 5.208 5.808 -7.430 1.00 2.29 H new ATOM 0 HG22 VAL A 4 3.585 5.366 -8.012 1.00 2.29 H new ATOM 0 HG23 VAL A 4 4.964 4.282 -8.312 1.00 2.29 H new ATOM 22 N LEU A 5 1.962 4.342 -10.820 1.00 0.94 N ATOM 23 CA LEU A 5 0.522 4.245 -10.619 1.00 1.34 C ATOM 24 C LEU A 5 0.188 3.494 -9.334 1.00 1.09 C ATOM 25 O LEU A 5 0.692 2.398 -9.088 1.00 1.34 O ATOM 26 CB LEU A 5 -0.131 3.548 -11.814 1.00 2.05 C ATOM 27 CG LEU A 5 -0.380 4.442 -13.030 1.00 2.97 C ATOM 28 CD1 LEU A 5 0.911 4.664 -13.803 1.00 3.92 C ATOM 29 CD2 LEU A 5 -1.444 3.832 -13.929 1.00 3.33 C ATOM 0 H LEU A 5 2.376 3.540 -11.295 1.00 0.94 H new ATOM 0 HA LEU A 5 0.129 5.258 -10.531 1.00 1.34 H new ATOM 0 HB2 LEU A 5 0.502 2.714 -12.119 1.00 2.05 H new ATOM 0 HB3 LEU A 5 -1.083 3.125 -11.493 1.00 2.05 H new ATOM 0 HG LEU A 5 -0.739 5.409 -12.679 1.00 2.97 H new ATOM 0 HD11 LEU A 5 0.714 5.302 -14.664 1.00 3.92 H new ATOM 0 HD12 LEU A 5 1.645 5.144 -13.156 1.00 3.92 H new ATOM 0 HD13 LEU A 5 1.301 3.705 -14.144 1.00 3.92 H new ATOM 0 HD21 LEU A 5 -1.609 4.481 -14.789 1.00 3.33 H new ATOM 0 HD22 LEU A 5 -1.112 2.852 -14.272 1.00 3.33 H new ATOM 0 HD23 LEU A 5 -2.374 3.726 -13.371 1.00 3.33 H new ATOM 35 N VAL A 6 -0.678 4.092 -8.525 1.00 0.88 N ATOM 36 CA VAL A 6 -1.101 3.487 -7.271 1.00 0.75 C ATOM 37 C VAL A 6 -2.623 3.454 -7.188 1.00 0.75 C ATOM 38 O VAL A 6 -3.298 4.344 -7.705 1.00 1.03 O ATOM 39 CB VAL A 6 -0.536 4.248 -6.056 1.00 0.94 C ATOM 40 CG1 VAL A 6 -0.989 5.699 -6.076 1.00 1.26 C ATOM 41 CG2 VAL A 6 -0.946 3.570 -4.756 1.00 1.02 C ATOM 0 H VAL A 6 -1.102 5.000 -8.718 1.00 0.88 H new ATOM 0 HA VAL A 6 -0.710 2.470 -7.249 1.00 0.75 H new ATOM 0 HB VAL A 6 0.552 4.230 -6.117 1.00 0.94 H new ATOM 0 HG11 VAL A 6 -0.580 6.220 -5.210 1.00 1.26 H new ATOM 0 HG12 VAL A 6 -0.635 6.178 -6.989 1.00 1.26 H new ATOM 0 HG13 VAL A 6 -2.078 5.741 -6.043 1.00 1.26 H new ATOM 0 HG21 VAL A 6 -0.536 4.124 -3.912 1.00 1.02 H new ATOM 0 HG22 VAL A 6 -2.033 3.550 -4.683 1.00 1.02 H new ATOM 0 HG23 VAL A 6 -0.562 2.550 -4.741 1.00 1.02 H new ATOM 45 N ASP A 7 -3.162 2.420 -6.553 1.00 0.72 N ATOM 46 CA ASP A 7 -4.608 2.281 -6.430 1.00 0.83 C ATOM 47 C ASP A 7 -5.079 2.487 -4.993 1.00 0.75 C ATOM 48 O ASP A 7 -4.774 1.692 -4.107 1.00 0.99 O ATOM 49 CB ASP A 7 -5.050 0.905 -6.933 1.00 1.02 C ATOM 50 CG ASP A 7 -6.236 0.987 -7.874 1.00 1.78 C ATOM 51 OD1 ASP A 7 -6.017 1.148 -9.093 1.00 2.33 O ATOM 52 OD2 ASP A 7 -7.384 0.889 -7.392 1.00 2.52 O ATOM 0 H ASP A 7 -2.624 1.670 -6.118 1.00 0.72 H new ATOM 0 HA ASP A 7 -5.066 3.057 -7.043 1.00 0.83 H new ATOM 0 HB2 ASP A 7 -4.217 0.423 -7.444 1.00 1.02 H new ATOM 0 HB3 ASP A 7 -5.308 0.276 -6.081 1.00 1.02 H new ATOM 57 N LEU A 8 -5.843 3.552 -4.782 1.00 0.63 N ATOM 58 CA LEU A 8 -6.390 3.866 -3.467 1.00 0.74 C ATOM 59 C LEU A 8 -7.894 3.617 -3.475 1.00 0.59 C ATOM 60 O LEU A 8 -8.672 4.489 -3.862 1.00 0.79 O ATOM 61 CB LEU A 8 -6.097 5.325 -3.103 1.00 1.20 C ATOM 62 CG LEU A 8 -5.731 5.573 -1.638 1.00 0.83 C ATOM 63 CD1 LEU A 8 -6.756 4.933 -0.714 1.00 1.78 C ATOM 64 CD2 LEU A 8 -4.333 5.047 -1.339 1.00 1.52 C ATOM 0 H LEU A 8 -6.100 4.218 -5.511 1.00 0.63 H new ATOM 0 HA LEU A 8 -5.921 3.226 -2.720 1.00 0.74 H new ATOM 0 HB2 LEU A 8 -5.280 5.681 -3.730 1.00 1.20 H new ATOM 0 HB3 LEU A 8 -6.972 5.926 -3.348 1.00 1.20 H new ATOM 0 HG LEU A 8 -5.736 6.648 -1.460 1.00 0.83 H new ATOM 0 HD11 LEU A 8 -6.478 5.120 0.323 1.00 1.78 H new ATOM 0 HD12 LEU A 8 -7.739 5.361 -0.909 1.00 1.78 H new ATOM 0 HD13 LEU A 8 -6.786 3.858 -0.893 1.00 1.78 H new ATOM 0 HD21 LEU A 8 -4.091 5.232 -0.293 1.00 1.52 H new ATOM 0 HD22 LEU A 8 -4.298 3.975 -1.535 1.00 1.52 H new ATOM 0 HD23 LEU A 8 -3.609 5.556 -1.975 1.00 1.52 H new ATOM 70 N GLN A 9 -8.299 2.411 -3.087 1.00 0.65 N ATOM 71 CA GLN A 9 -9.715 2.052 -3.100 1.00 0.80 C ATOM 72 C GLN A 9 -10.358 2.100 -1.714 1.00 0.79 C ATOM 73 O GLN A 9 -10.270 1.139 -0.948 1.00 0.81 O ATOM 74 CB GLN A 9 -9.889 0.653 -3.696 1.00 1.03 C ATOM 75 CG GLN A 9 -10.976 0.573 -4.755 1.00 1.27 C ATOM 76 CD GLN A 9 -10.874 -0.683 -5.599 1.00 1.82 C ATOM 77 OE1 GLN A 9 -11.828 -1.454 -5.703 1.00 2.23 O ATOM 78 NE2 GLN A 9 -9.712 -0.895 -6.205 1.00 2.59 N ATOM 0 H GLN A 9 -7.675 1.672 -2.763 1.00 0.65 H new ATOM 0 HA GLN A 9 -10.223 2.796 -3.714 1.00 0.80 H new ATOM 0 HB2 GLN A 9 -8.943 0.334 -4.133 1.00 1.03 H new ATOM 0 HB3 GLN A 9 -10.122 -0.048 -2.894 1.00 1.03 H new ATOM 0 HG2 GLN A 9 -11.952 0.604 -4.272 1.00 1.27 H new ATOM 0 HG3 GLN A 9 -10.913 1.448 -5.402 1.00 1.27 H new ATOM 0 HE21 GLN A 9 -8.948 -0.229 -6.091 1.00 2.59 H new ATOM 0 HE22 GLN A 9 -9.583 -1.724 -6.785 1.00 2.59 H new ATOM 85 N ILE A 10 -11.043 3.209 -1.420 1.00 0.83 N ATOM 86 CA ILE A 10 -11.745 3.363 -0.150 1.00 0.86 C ATOM 87 C ILE A 10 -13.042 2.560 -0.189 1.00 1.02 C ATOM 88 O ILE A 10 -13.623 2.363 -1.255 1.00 1.23 O ATOM 89 CB ILE A 10 -12.072 4.843 0.160 1.00 0.96 C ATOM 90 CG1 ILE A 10 -12.689 4.974 1.558 1.00 1.21 C ATOM 91 CG2 ILE A 10 -13.015 5.409 -0.891 1.00 1.28 C ATOM 92 CD1 ILE A 10 -11.683 4.838 2.682 1.00 1.19 C ATOM 0 H ILE A 10 -11.124 4.010 -2.046 1.00 0.83 H new ATOM 0 HA ILE A 10 -11.088 2.995 0.638 1.00 0.86 H new ATOM 0 HB ILE A 10 -11.144 5.414 0.137 1.00 0.96 H new ATOM 0 HG12 ILE A 10 -13.182 5.943 1.639 1.00 1.21 H new ATOM 0 HG13 ILE A 10 -13.460 4.213 1.678 1.00 1.21 H new ATOM 0 HG21 ILE A 10 -13.235 6.451 -0.659 1.00 1.28 H new ATOM 0 HG22 ILE A 10 -12.545 5.348 -1.872 1.00 1.28 H new ATOM 0 HG23 ILE A 10 -13.941 4.835 -0.896 1.00 1.28 H new ATOM 0 HD11 ILE A 10 -12.192 4.942 3.640 1.00 1.19 H new ATOM 0 HD12 ILE A 10 -11.207 3.859 2.628 1.00 1.19 H new ATOM 0 HD13 ILE A 10 -10.925 5.616 2.588 1.00 1.19 H new ATOM 96 N ALA A 11 -13.487 2.090 0.966 1.00 0.97 N ATOM 97 CA ALA A 11 -14.709 1.301 1.038 1.00 1.15 C ATOM 98 C ALA A 11 -15.884 2.131 1.542 1.00 1.15 C ATOM 99 O ALA A 11 -17.023 1.931 1.119 1.00 1.32 O ATOM 100 CB ALA A 11 -14.492 0.089 1.928 1.00 1.30 C ATOM 0 H ALA A 11 -13.024 2.240 1.862 1.00 0.97 H new ATOM 0 HA ALA A 11 -14.954 0.966 0.030 1.00 1.15 H new ATOM 0 HB1 ALA A 11 -15.411 -0.496 1.977 1.00 1.30 H new ATOM 0 HB2 ALA A 11 -13.692 -0.526 1.516 1.00 1.30 H new ATOM 0 HB3 ALA A 11 -14.218 0.418 2.930 1.00 1.30 H new ATOM 106 N THR A 12 -15.604 3.057 2.451 1.00 1.10 N ATOM 107 CA THR A 12 -16.644 3.908 3.013 1.00 1.29 C ATOM 108 C THR A 12 -16.812 5.188 2.206 1.00 1.72 C ATOM 109 O THR A 12 -15.839 5.761 1.715 1.00 2.07 O ATOM 110 CB THR A 12 -16.316 4.254 4.464 1.00 1.15 C ATOM 111 OG1 THR A 12 -14.975 4.691 4.587 1.00 1.78 O ATOM 112 CG2 THR A 12 -16.508 3.090 5.407 1.00 1.29 C ATOM 0 H THR A 12 -14.668 3.237 2.814 1.00 1.10 H new ATOM 0 HA THR A 12 -17.582 3.354 2.974 1.00 1.29 H new ATOM 0 HB THR A 12 -17.012 5.046 4.739 1.00 1.15 H new ATOM 0 HG1 THR A 12 -14.738 4.756 5.536 1.00 1.78 H new ATOM 0 HG21 THR A 12 -16.259 3.399 6.422 1.00 1.29 H new ATOM 0 HG22 THR A 12 -17.547 2.761 5.372 1.00 1.29 H new ATOM 0 HG23 THR A 12 -15.857 2.268 5.108 1.00 1.29 H new ATOM 117 N GLU A 13 -18.056 5.636 2.085 1.00 2.10 N ATOM 118 CA GLU A 13 -18.364 6.855 1.352 1.00 2.62 C ATOM 119 C GLU A 13 -18.304 8.057 2.285 1.00 2.49 C ATOM 120 O GLU A 13 -17.892 9.148 1.891 1.00 2.85 O ATOM 121 CB GLU A 13 -19.749 6.749 0.714 1.00 3.24 C ATOM 122 CG GLU A 13 -19.795 7.240 -0.724 1.00 3.89 C ATOM 123 CD GLU A 13 -20.915 6.603 -1.523 1.00 4.72 C ATOM 124 OE1 GLU A 13 -20.760 5.434 -1.933 1.00 5.17 O ATOM 125 OE2 GLU A 13 -21.946 7.274 -1.739 1.00 5.27 O ATOM 0 H GLU A 13 -18.870 5.170 2.487 1.00 2.10 H new ATOM 0 HA GLU A 13 -17.624 6.988 0.563 1.00 2.62 H new ATOM 0 HB2 GLU A 13 -20.076 5.710 0.745 1.00 3.24 H new ATOM 0 HB3 GLU A 13 -20.459 7.324 1.309 1.00 3.24 H new ATOM 0 HG2 GLU A 13 -19.920 8.323 -0.730 1.00 3.89 H new ATOM 0 HG3 GLU A 13 -18.842 7.026 -1.208 1.00 3.89 H new ATOM 132 N ASN A 14 -18.711 7.840 3.532 1.00 2.26 N ATOM 133 CA ASN A 14 -18.699 8.891 4.540 1.00 2.51 C ATOM 134 C ASN A 14 -17.921 8.432 5.769 1.00 1.99 C ATOM 135 O ASN A 14 -18.312 7.479 6.443 1.00 1.78 O ATOM 136 CB ASN A 14 -20.129 9.268 4.934 1.00 3.10 C ATOM 137 CG ASN A 14 -20.630 10.490 4.190 1.00 3.79 C ATOM 138 OD1 ASN A 14 -20.767 11.569 4.766 1.00 4.30 O ATOM 139 ND2 ASN A 14 -20.907 10.326 2.901 1.00 4.18 N ATOM 0 H ASN A 14 -19.055 6.940 3.868 1.00 2.26 H new ATOM 0 HA ASN A 14 -18.209 9.770 4.120 1.00 2.51 H new ATOM 0 HB2 ASN A 14 -20.792 8.427 4.733 1.00 3.10 H new ATOM 0 HB3 ASN A 14 -20.170 9.457 6.007 1.00 3.10 H new ATOM 0 HD21 ASN A 14 -21.248 11.113 2.349 1.00 4.18 H new ATOM 0 HD22 ASN A 14 -20.779 9.413 2.464 1.00 4.18 H new ATOM 144 N ILE A 15 -16.816 9.111 6.055 1.00 2.45 N ATOM 145 CA ILE A 15 -15.983 8.766 7.202 1.00 2.24 C ATOM 146 C ILE A 15 -15.511 10.019 7.930 1.00 1.60 C ATOM 147 O ILE A 15 -15.817 11.139 7.522 1.00 1.92 O ATOM 148 CB ILE A 15 -14.742 7.926 6.798 1.00 3.00 C ATOM 149 CG1 ILE A 15 -14.712 7.657 5.288 1.00 2.89 C ATOM 150 CG2 ILE A 15 -14.718 6.614 7.567 1.00 3.77 C ATOM 151 CD1 ILE A 15 -14.498 8.901 4.455 1.00 3.61 C ATOM 0 H ILE A 15 -16.476 9.903 5.509 1.00 2.45 H new ATOM 0 HA ILE A 15 -16.608 8.165 7.863 1.00 2.24 H new ATOM 0 HB ILE A 15 -13.853 8.504 7.052 1.00 3.00 H new ATOM 0 HG12 ILE A 15 -13.918 6.943 5.070 1.00 2.89 H new ATOM 0 HG13 ILE A 15 -15.651 7.189 4.992 1.00 2.89 H new ATOM 0 HG21 ILE A 15 -13.842 6.036 7.273 1.00 3.77 H new ATOM 0 HG22 ILE A 15 -14.675 6.820 8.637 1.00 3.77 H new ATOM 0 HG23 ILE A 15 -15.620 6.045 7.343 1.00 3.77 H new ATOM 0 HD11 ILE A 15 -14.488 8.634 3.398 1.00 3.61 H new ATOM 0 HD12 ILE A 15 -15.306 9.608 4.643 1.00 3.61 H new ATOM 0 HD13 ILE A 15 -13.546 9.359 4.722 1.00 3.61 H new ATOM 155 N GLU A 16 -14.755 9.820 9.004 1.00 1.45 N ATOM 156 CA GLU A 16 -14.229 10.933 9.785 1.00 1.67 C ATOM 157 C GLU A 16 -12.896 11.418 9.216 1.00 1.94 C ATOM 158 O GLU A 16 -12.222 12.252 9.820 1.00 2.67 O ATOM 159 CB GLU A 16 -14.054 10.518 11.248 1.00 2.11 C ATOM 160 CG GLU A 16 -15.112 11.095 12.174 1.00 3.11 C ATOM 161 CD GLU A 16 -14.586 12.236 13.022 1.00 3.84 C ATOM 162 OE1 GLU A 16 -13.850 13.088 12.480 1.00 4.53 O ATOM 163 OE2 GLU A 16 -14.909 12.279 14.228 1.00 4.13 O ATOM 0 H GLU A 16 -14.493 8.898 9.354 1.00 1.45 H new ATOM 0 HA GLU A 16 -14.945 11.753 9.730 1.00 1.67 H new ATOM 0 HB2 GLU A 16 -14.079 9.430 11.314 1.00 2.11 H new ATOM 0 HB3 GLU A 16 -13.070 10.836 11.592 1.00 2.11 H new ATOM 0 HG2 GLU A 16 -15.956 11.447 11.581 1.00 3.11 H new ATOM 0 HG3 GLU A 16 -15.488 10.306 12.826 1.00 3.11 H new ATOM 170 N GLY A 17 -12.519 10.892 8.051 1.00 1.95 N ATOM 171 CA GLY A 17 -11.271 11.287 7.430 1.00 2.86 C ATOM 172 C GLY A 17 -10.997 10.536 6.144 1.00 2.74 C ATOM 173 O GLY A 17 -10.095 9.700 6.088 1.00 3.16 O ATOM 0 H GLY A 17 -13.057 10.200 7.529 1.00 1.95 H new ATOM 0 HA2 GLY A 17 -11.295 12.357 7.223 1.00 2.86 H new ATOM 0 HA3 GLY A 17 -10.452 11.115 8.128 1.00 2.86 H new ATOM 177 N LEU A 18 -11.772 10.834 5.103 1.00 2.64 N ATOM 178 CA LEU A 18 -11.596 10.175 3.812 1.00 2.63 C ATOM 179 C LEU A 18 -10.133 10.211 3.383 1.00 2.01 C ATOM 180 O LEU A 18 -9.386 11.112 3.765 1.00 2.22 O ATOM 181 CB LEU A 18 -12.467 10.835 2.742 1.00 3.46 C ATOM 182 CG LEU A 18 -12.510 12.365 2.794 1.00 3.97 C ATOM 183 CD1 LEU A 18 -11.662 12.962 1.683 1.00 4.46 C ATOM 184 CD2 LEU A 18 -13.945 12.862 2.701 1.00 4.91 C ATOM 0 H LEU A 18 -12.523 11.523 5.128 1.00 2.64 H new ATOM 0 HA LEU A 18 -11.905 9.136 3.923 1.00 2.63 H new ATOM 0 HB2 LEU A 18 -12.104 10.530 1.761 1.00 3.46 H new ATOM 0 HB3 LEU A 18 -13.484 10.455 2.838 1.00 3.46 H new ATOM 0 HG LEU A 18 -12.097 12.688 3.749 1.00 3.97 H new ATOM 0 HD11 LEU A 18 -11.705 14.050 1.737 1.00 4.46 H new ATOM 0 HD12 LEU A 18 -10.629 12.634 1.798 1.00 4.46 H new ATOM 0 HD13 LEU A 18 -12.043 12.631 0.717 1.00 4.46 H new ATOM 0 HD21 LEU A 18 -13.956 13.951 2.740 1.00 4.91 H new ATOM 0 HD22 LEU A 18 -14.386 12.528 1.762 1.00 4.91 H new ATOM 0 HD23 LEU A 18 -14.523 12.464 3.535 1.00 4.91 H new ATOM 190 N PRO A 19 -9.701 9.217 2.595 1.00 1.58 N ATOM 191 CA PRO A 19 -8.325 9.122 2.132 1.00 1.46 C ATOM 192 C PRO A 19 -8.075 9.857 0.816 1.00 1.48 C ATOM 193 O PRO A 19 -7.117 10.619 0.703 1.00 2.32 O ATOM 194 CB PRO A 19 -8.153 7.618 1.953 1.00 1.63 C ATOM 195 CG PRO A 19 -9.501 7.125 1.540 1.00 1.84 C ATOM 196 CD PRO A 19 -10.516 8.089 2.111 1.00 1.84 C ATOM 0 HA PRO A 19 -7.622 9.584 2.825 1.00 1.46 H new ATOM 0 HB2 PRO A 19 -7.401 7.393 1.197 1.00 1.63 H new ATOM 0 HB3 PRO A 19 -7.825 7.145 2.879 1.00 1.63 H new ATOM 0 HG2 PRO A 19 -9.580 7.080 0.454 1.00 1.84 H new ATOM 0 HG3 PRO A 19 -9.674 6.116 1.914 1.00 1.84 H new ATOM 0 HD2 PRO A 19 -11.232 8.409 1.354 1.00 1.84 H new ATOM 0 HD3 PRO A 19 -11.088 7.634 2.919 1.00 1.84 H new ATOM 204 N THR A 20 -8.931 9.611 -0.177 1.00 1.19 N ATOM 205 CA THR A 20 -8.796 10.232 -1.493 1.00 1.25 C ATOM 206 C THR A 20 -7.440 9.900 -2.106 1.00 1.21 C ATOM 207 O THR A 20 -6.399 10.075 -1.475 1.00 1.19 O ATOM 208 CB THR A 20 -8.985 11.750 -1.410 1.00 1.39 C ATOM 209 OG1 THR A 20 -7.973 12.349 -0.623 1.00 1.78 O ATOM 210 CG2 THR A 20 -10.321 12.155 -0.827 1.00 2.03 C ATOM 0 H THR A 20 -9.729 8.982 -0.092 1.00 1.19 H new ATOM 0 HA THR A 20 -9.579 9.827 -2.135 1.00 1.25 H new ATOM 0 HB THR A 20 -8.933 12.099 -2.441 1.00 1.39 H new ATOM 0 HG1 THR A 20 -7.289 11.681 -0.406 1.00 1.78 H new ATOM 0 HG21 THR A 20 -10.390 13.242 -0.796 1.00 2.03 H new ATOM 0 HG22 THR A 20 -11.124 11.758 -1.448 1.00 2.03 H new ATOM 0 HG23 THR A 20 -10.413 11.757 0.184 1.00 2.03 H new ATOM 215 N GLU A 21 -7.457 9.409 -3.338 1.00 1.30 N ATOM 216 CA GLU A 21 -6.225 9.041 -4.025 1.00 1.28 C ATOM 217 C GLU A 21 -5.398 10.272 -4.376 1.00 1.19 C ATOM 218 O GLU A 21 -4.180 10.278 -4.208 1.00 1.10 O ATOM 219 CB GLU A 21 -6.534 8.237 -5.292 1.00 1.44 C ATOM 220 CG GLU A 21 -7.693 8.790 -6.108 1.00 1.56 C ATOM 221 CD GLU A 21 -8.896 7.867 -6.113 1.00 1.94 C ATOM 222 OE1 GLU A 21 -9.670 7.895 -5.134 1.00 2.04 O ATOM 223 OE2 GLU A 21 -9.064 7.116 -7.097 1.00 2.54 O ATOM 0 H GLU A 21 -8.307 9.256 -3.881 1.00 1.30 H new ATOM 0 HA GLU A 21 -5.641 8.420 -3.346 1.00 1.28 H new ATOM 0 HB2 GLU A 21 -5.643 8.209 -5.919 1.00 1.44 H new ATOM 0 HB3 GLU A 21 -6.759 7.208 -5.011 1.00 1.44 H new ATOM 0 HG2 GLU A 21 -7.986 9.760 -5.706 1.00 1.56 H new ATOM 0 HG3 GLU A 21 -7.363 8.957 -7.134 1.00 1.56 H new ATOM 230 N GLU A 22 -6.058 11.317 -4.864 1.00 1.24 N ATOM 231 CA GLU A 22 -5.363 12.545 -5.238 1.00 1.18 C ATOM 232 C GLU A 22 -4.413 12.995 -4.130 1.00 1.05 C ATOM 233 O GLU A 22 -3.217 13.183 -4.361 1.00 0.99 O ATOM 234 CB GLU A 22 -6.371 13.654 -5.542 1.00 1.26 C ATOM 235 CG GLU A 22 -7.185 13.406 -6.802 1.00 1.93 C ATOM 236 CD GLU A 22 -8.573 12.875 -6.504 1.00 2.47 C ATOM 237 OE1 GLU A 22 -9.361 13.600 -5.861 1.00 3.23 O ATOM 238 OE2 GLU A 22 -8.872 11.733 -6.913 1.00 2.76 O ATOM 0 H GLU A 22 -7.067 11.339 -5.009 1.00 1.24 H new ATOM 0 HA GLU A 22 -4.776 12.341 -6.133 1.00 1.18 H new ATOM 0 HB2 GLU A 22 -7.050 13.759 -4.696 1.00 1.26 H new ATOM 0 HB3 GLU A 22 -5.839 14.600 -5.643 1.00 1.26 H new ATOM 0 HG2 GLU A 22 -7.269 14.336 -7.365 1.00 1.93 H new ATOM 0 HG3 GLU A 22 -6.657 12.695 -7.437 1.00 1.93 H new ATOM 245 N GLN A 23 -4.951 13.152 -2.926 1.00 1.02 N ATOM 246 CA GLN A 23 -4.153 13.571 -1.780 1.00 0.93 C ATOM 247 C GLN A 23 -3.080 12.537 -1.456 1.00 0.82 C ATOM 248 O GLN A 23 -1.887 12.805 -1.590 1.00 0.77 O ATOM 249 CB GLN A 23 -5.054 13.795 -0.562 1.00 0.99 C ATOM 250 CG GLN A 23 -5.104 15.242 -0.101 1.00 0.97 C ATOM 251 CD GLN A 23 -3.726 15.816 0.168 1.00 1.14 C ATOM 252 OE1 GLN A 23 -3.019 16.222 -0.755 1.00 2.08 O ATOM 253 NE2 GLN A 23 -3.338 15.852 1.437 1.00 1.09 N ATOM 0 H GLN A 23 -5.937 12.995 -2.718 1.00 1.02 H new ATOM 0 HA GLN A 23 -3.659 14.509 -2.034 1.00 0.93 H new ATOM 0 HB2 GLN A 23 -6.064 13.464 -0.802 1.00 0.99 H new ATOM 0 HB3 GLN A 23 -4.701 13.172 0.260 1.00 0.99 H new ATOM 0 HG2 GLN A 23 -5.603 15.844 -0.860 1.00 0.97 H new ATOM 0 HG3 GLN A 23 -5.705 15.310 0.806 1.00 0.97 H new ATOM 0 HE21 GLN A 23 -3.957 15.505 2.170 1.00 1.09 H new ATOM 0 HE22 GLN A 23 -2.421 16.227 1.679 1.00 1.09 H new ATOM 260 N ILE A 24 -3.515 11.355 -1.031 1.00 0.83 N ATOM 261 CA ILE A 24 -2.594 10.274 -0.686 1.00 0.74 C ATOM 262 C ILE A 24 -1.554 10.061 -1.781 1.00 0.69 C ATOM 263 O ILE A 24 -0.354 10.236 -1.559 1.00 0.67 O ATOM 264 CB ILE A 24 -3.343 8.945 -0.455 1.00 0.82 C ATOM 265 CG1 ILE A 24 -4.442 9.121 0.594 1.00 1.01 C ATOM 266 CG2 ILE A 24 -2.372 7.852 -0.030 1.00 0.85 C ATOM 267 CD1 ILE A 24 -3.914 9.428 1.976 1.00 1.43 C ATOM 0 H ILE A 24 -4.501 11.120 -0.917 1.00 0.83 H new ATOM 0 HA ILE A 24 -2.097 10.574 0.236 1.00 0.74 H new ATOM 0 HB ILE A 24 -3.809 8.647 -1.394 1.00 0.82 H new ATOM 0 HG12 ILE A 24 -5.106 9.926 0.281 1.00 1.01 H new ATOM 0 HG13 ILE A 24 -5.041 8.212 0.637 1.00 1.01 H new ATOM 0 HG21 ILE A 24 -2.918 6.922 0.128 1.00 0.85 H new ATOM 0 HG22 ILE A 24 -1.625 7.706 -0.810 1.00 0.85 H new ATOM 0 HG23 ILE A 24 -1.877 8.145 0.896 1.00 0.85 H new ATOM 0 HD11 ILE A 24 -4.749 9.540 2.668 1.00 1.43 H new ATOM 0 HD12 ILE A 24 -3.273 8.612 2.310 1.00 1.43 H new ATOM 0 HD13 ILE A 24 -3.339 10.354 1.948 1.00 1.43 H new ATOM 271 N VAL A 25 -2.027 9.673 -2.961 1.00 0.77 N ATOM 272 CA VAL A 25 -1.148 9.421 -4.093 1.00 0.77 C ATOM 273 C VAL A 25 -0.198 10.590 -4.338 1.00 0.74 C ATOM 274 O VAL A 25 1.019 10.417 -4.325 1.00 0.73 O ATOM 275 CB VAL A 25 -1.949 9.135 -5.381 1.00 0.91 C ATOM 276 CG1 VAL A 25 -1.012 8.849 -6.546 1.00 0.85 C ATOM 277 CG2 VAL A 25 -2.909 7.973 -5.166 1.00 1.45 C ATOM 0 H VAL A 25 -3.017 9.526 -3.157 1.00 0.77 H new ATOM 0 HA VAL A 25 -0.562 8.538 -3.839 1.00 0.77 H new ATOM 0 HB VAL A 25 -2.533 10.022 -5.625 1.00 0.91 H new ATOM 0 HG11 VAL A 25 -1.598 8.650 -7.444 1.00 0.85 H new ATOM 0 HG12 VAL A 25 -0.369 9.713 -6.716 1.00 0.85 H new ATOM 0 HG13 VAL A 25 -0.397 7.979 -6.314 1.00 0.85 H new ATOM 0 HG21 VAL A 25 -3.465 7.786 -6.085 1.00 1.45 H new ATOM 0 HG22 VAL A 25 -2.345 7.080 -4.895 1.00 1.45 H new ATOM 0 HG23 VAL A 25 -3.605 8.220 -4.364 1.00 1.45 H new ATOM 281 N GLN A 26 -0.754 11.776 -4.566 1.00 0.76 N ATOM 282 CA GLN A 26 0.065 12.958 -4.818 1.00 0.77 C ATOM 283 C GLN A 26 1.059 13.193 -3.684 1.00 0.72 C ATOM 284 O GLN A 26 2.265 13.272 -3.907 1.00 0.71 O ATOM 285 CB GLN A 26 -0.819 14.193 -4.999 1.00 0.85 C ATOM 286 CG GLN A 26 -0.043 15.447 -5.364 1.00 0.94 C ATOM 287 CD GLN A 26 -0.937 16.550 -5.898 1.00 1.33 C ATOM 288 OE1 GLN A 26 -2.062 16.733 -5.432 1.00 1.72 O ATOM 289 NE2 GLN A 26 -0.439 17.292 -6.880 1.00 2.19 N ATOM 0 H GLN A 26 -1.760 11.944 -4.582 1.00 0.76 H new ATOM 0 HA GLN A 26 0.626 12.783 -5.736 1.00 0.77 H new ATOM 0 HB2 GLN A 26 -1.555 13.992 -5.777 1.00 0.85 H new ATOM 0 HB3 GLN A 26 -1.371 14.373 -4.077 1.00 0.85 H new ATOM 0 HG2 GLN A 26 0.489 15.809 -4.485 1.00 0.94 H new ATOM 0 HG3 GLN A 26 0.709 15.199 -6.113 1.00 0.94 H new ATOM 0 HE21 GLN A 26 0.499 17.105 -7.236 1.00 2.19 H new ATOM 0 HE22 GLN A 26 -0.994 18.049 -7.279 1.00 2.19 H new ATOM 296 N TRP A 27 0.547 13.313 -2.466 1.00 0.74 N ATOM 297 CA TRP A 27 1.395 13.551 -1.303 1.00 0.76 C ATOM 298 C TRP A 27 2.537 12.535 -1.224 1.00 0.69 C ATOM 299 O TRP A 27 3.712 12.902 -1.272 1.00 0.67 O ATOM 300 CB TRP A 27 0.544 13.505 -0.025 1.00 0.92 C ATOM 301 CG TRP A 27 1.313 13.169 1.221 1.00 0.87 C ATOM 302 CD1 TRP A 27 1.356 11.959 1.852 1.00 1.06 C ATOM 303 CD2 TRP A 27 2.141 14.052 1.986 1.00 0.79 C ATOM 304 NE1 TRP A 27 2.160 12.035 2.963 1.00 1.02 N ATOM 305 CE2 TRP A 27 2.654 13.309 3.067 1.00 0.81 C ATOM 306 CE3 TRP A 27 2.500 15.397 1.864 1.00 0.89 C ATOM 307 CZ2 TRP A 27 3.505 13.867 4.017 1.00 0.79 C ATOM 308 CZ3 TRP A 27 3.345 15.950 2.808 1.00 0.98 C ATOM 309 CH2 TRP A 27 3.840 15.185 3.873 1.00 0.87 C ATOM 0 H TRP A 27 -0.449 13.250 -2.257 1.00 0.74 H new ATOM 0 HA TRP A 27 1.844 14.539 -1.403 1.00 0.76 H new ATOM 0 HB2 TRP A 27 0.061 14.473 0.111 1.00 0.92 H new ATOM 0 HB3 TRP A 27 -0.249 12.769 -0.157 1.00 0.92 H new ATOM 0 HD1 TRP A 27 0.834 11.072 1.525 1.00 1.06 H new ATOM 0 HE1 TRP A 27 2.357 11.268 3.606 1.00 1.02 H new ATOM 0 HE3 TRP A 27 2.124 15.994 1.046 1.00 0.89 H new ATOM 0 HZ2 TRP A 27 3.887 13.280 4.839 1.00 0.79 H new ATOM 0 HZ3 TRP A 27 3.628 16.989 2.723 1.00 0.98 H new ATOM 0 HH2 TRP A 27 4.499 15.646 4.594 1.00 0.87 H new ATOM 320 N ALA A 28 2.188 11.260 -1.093 1.00 0.70 N ATOM 321 CA ALA A 28 3.193 10.209 -0.987 1.00 0.72 C ATOM 322 C ALA A 28 3.792 9.844 -2.343 1.00 0.68 C ATOM 323 O ALA A 28 4.921 10.225 -2.658 1.00 0.73 O ATOM 324 CB ALA A 28 2.592 8.977 -0.325 1.00 0.78 C ATOM 0 H ALA A 28 1.223 10.931 -1.058 1.00 0.70 H new ATOM 0 HA ALA A 28 4.005 10.593 -0.370 1.00 0.72 H new ATOM 0 HB1 ALA A 28 3.350 8.198 -0.250 1.00 0.78 H new ATOM 0 HB2 ALA A 28 2.239 9.236 0.673 1.00 0.78 H new ATOM 0 HB3 ALA A 28 1.756 8.614 -0.923 1.00 0.78 H new ATOM 330 N THR A 29 3.043 9.083 -3.132 1.00 0.63 N ATOM 331 CA THR A 29 3.515 8.644 -4.440 1.00 0.67 C ATOM 332 C THR A 29 3.915 9.817 -5.338 1.00 0.64 C ATOM 333 O THR A 29 4.733 9.658 -6.247 1.00 0.72 O ATOM 334 CB THR A 29 2.465 7.777 -5.131 1.00 0.69 C ATOM 335 OG1 THR A 29 1.324 7.610 -4.309 1.00 1.02 O ATOM 336 CG2 THR A 29 2.988 6.401 -5.477 1.00 0.74 C ATOM 0 H THR A 29 2.107 8.757 -2.889 1.00 0.63 H new ATOM 0 HA THR A 29 4.411 8.047 -4.270 1.00 0.67 H new ATOM 0 HB THR A 29 2.205 8.303 -6.050 1.00 0.69 H new ATOM 0 HG1 THR A 29 1.281 6.683 -3.994 1.00 1.02 H new ATOM 0 HG21 THR A 29 2.202 5.825 -5.966 1.00 0.74 H new ATOM 0 HG22 THR A 29 3.841 6.494 -6.149 1.00 0.74 H new ATOM 0 HG23 THR A 29 3.298 5.890 -4.566 1.00 0.74 H new ATOM 341 N GLY A 30 3.351 10.992 -5.087 1.00 0.60 N ATOM 342 CA GLY A 30 3.692 12.147 -5.897 1.00 0.64 C ATOM 343 C GLY A 30 5.028 12.743 -5.500 1.00 0.66 C ATOM 344 O GLY A 30 5.744 13.290 -6.339 1.00 0.72 O ATOM 0 H GLY A 30 2.672 11.166 -4.346 1.00 0.60 H new ATOM 0 HA2 GLY A 30 3.722 11.857 -6.947 1.00 0.64 H new ATOM 0 HA3 GLY A 30 2.913 12.903 -5.797 1.00 0.64 H new ATOM 348 N ALA A 31 5.366 12.635 -4.218 1.00 0.65 N ATOM 349 CA ALA A 31 6.627 13.166 -3.715 1.00 0.73 C ATOM 350 C ALA A 31 7.789 12.202 -3.964 1.00 0.75 C ATOM 351 O ALA A 31 8.948 12.552 -3.742 1.00 0.83 O ATOM 352 CB ALA A 31 6.509 13.476 -2.231 1.00 0.82 C ATOM 0 H ALA A 31 4.785 12.185 -3.511 1.00 0.65 H new ATOM 0 HA ALA A 31 6.840 14.086 -4.260 1.00 0.73 H new ATOM 0 HB1 ALA A 31 7.456 13.872 -1.866 1.00 0.82 H new ATOM 0 HB2 ALA A 31 5.723 14.215 -2.075 1.00 0.82 H new ATOM 0 HB3 ALA A 31 6.263 12.564 -1.687 1.00 0.82 H new ATOM 358 N VAL A 32 7.480 10.986 -4.418 1.00 0.76 N ATOM 359 CA VAL A 32 8.518 9.989 -4.680 1.00 0.87 C ATOM 360 C VAL A 32 9.029 10.054 -6.114 1.00 0.91 C ATOM 361 O VAL A 32 10.224 9.889 -6.358 1.00 1.03 O ATOM 362 CB VAL A 32 8.031 8.554 -4.385 1.00 1.04 C ATOM 363 CG1 VAL A 32 6.665 8.321 -4.989 1.00 1.07 C ATOM 364 CG2 VAL A 32 9.026 7.520 -4.899 1.00 1.23 C ATOM 0 H VAL A 32 6.529 10.670 -4.610 1.00 0.76 H new ATOM 0 HA VAL A 32 9.336 10.233 -4.002 1.00 0.87 H new ATOM 0 HB VAL A 32 7.956 8.441 -3.303 1.00 1.04 H new ATOM 0 HG11 VAL A 32 6.339 7.304 -4.770 1.00 1.07 H new ATOM 0 HG12 VAL A 32 5.954 9.029 -4.564 1.00 1.07 H new ATOM 0 HG13 VAL A 32 6.716 8.461 -6.069 1.00 1.07 H new ATOM 0 HG21 VAL A 32 8.657 6.519 -4.677 1.00 1.23 H new ATOM 0 HG22 VAL A 32 9.144 7.633 -5.977 1.00 1.23 H new ATOM 0 HG23 VAL A 32 9.989 7.668 -4.411 1.00 1.23 H new ATOM 368 N GLN A 33 8.128 10.263 -7.063 1.00 0.90 N ATOM 369 CA GLN A 33 8.517 10.308 -8.468 1.00 1.04 C ATOM 370 C GLN A 33 8.188 11.648 -9.129 1.00 1.07 C ATOM 371 O GLN A 33 7.675 11.682 -10.248 1.00 1.22 O ATOM 372 CB GLN A 33 7.848 9.164 -9.226 1.00 1.22 C ATOM 373 CG GLN A 33 7.990 7.815 -8.535 1.00 1.37 C ATOM 374 CD GLN A 33 9.248 7.070 -8.944 1.00 1.19 C ATOM 375 OE1 GLN A 33 9.179 6.011 -9.568 1.00 1.67 O ATOM 376 NE2 GLN A 33 10.406 7.618 -8.594 1.00 1.88 N ATOM 0 H GLN A 33 7.132 10.403 -6.890 1.00 0.90 H new ATOM 0 HA GLN A 33 9.600 10.195 -8.509 1.00 1.04 H new ATOM 0 HB2 GLN A 33 6.789 9.391 -9.350 1.00 1.22 H new ATOM 0 HB3 GLN A 33 8.279 9.099 -10.225 1.00 1.22 H new ATOM 0 HG2 GLN A 33 7.998 7.965 -7.455 1.00 1.37 H new ATOM 0 HG3 GLN A 33 7.119 7.201 -8.766 1.00 1.37 H new ATOM 0 HE21 GLN A 33 10.419 8.497 -8.077 1.00 1.88 H new ATOM 0 HE22 GLN A 33 11.283 7.160 -8.842 1.00 1.88 H new ATOM 383 N PRO A 34 8.486 12.776 -8.458 1.00 1.04 N ATOM 384 CA PRO A 34 8.221 14.108 -9.012 1.00 1.23 C ATOM 385 C PRO A 34 8.986 14.359 -10.312 1.00 1.50 C ATOM 386 O PRO A 34 8.620 15.235 -11.096 1.00 1.84 O ATOM 387 CB PRO A 34 8.701 15.065 -7.913 1.00 1.29 C ATOM 388 CG PRO A 34 9.633 14.257 -7.076 1.00 1.15 C ATOM 389 CD PRO A 34 9.116 12.849 -7.129 1.00 0.96 C ATOM 0 HA PRO A 34 7.170 14.235 -9.270 1.00 1.23 H new ATOM 0 HB2 PRO A 34 9.205 15.933 -8.338 1.00 1.29 H new ATOM 0 HB3 PRO A 34 7.864 15.439 -7.323 1.00 1.29 H new ATOM 0 HG2 PRO A 34 10.652 14.314 -7.459 1.00 1.15 H new ATOM 0 HG3 PRO A 34 9.657 14.626 -6.051 1.00 1.15 H new ATOM 0 HD2 PRO A 34 9.919 12.120 -7.023 1.00 0.96 H new ATOM 0 HD3 PRO A 34 8.399 12.652 -6.332 1.00 0.96 H new ATOM 397 N GLU A 35 10.047 13.584 -10.536 1.00 1.43 N ATOM 398 CA GLU A 35 10.856 13.725 -11.745 1.00 1.69 C ATOM 399 C GLU A 35 10.758 12.472 -12.613 1.00 1.95 C ATOM 400 O GLU A 35 10.360 12.539 -13.776 1.00 2.55 O ATOM 401 CB GLU A 35 12.317 13.991 -11.375 1.00 1.58 C ATOM 402 CG GLU A 35 13.010 14.978 -12.300 1.00 2.20 C ATOM 403 CD GLU A 35 14.314 15.498 -11.727 1.00 2.95 C ATOM 404 OE1 GLU A 35 15.229 14.681 -11.497 1.00 3.53 O ATOM 405 OE2 GLU A 35 14.419 16.724 -11.510 1.00 3.47 O ATOM 0 H GLU A 35 10.365 12.855 -9.898 1.00 1.43 H new ATOM 0 HA GLU A 35 10.472 14.571 -12.315 1.00 1.69 H new ATOM 0 HB2 GLU A 35 12.361 14.370 -10.354 1.00 1.58 H new ATOM 0 HB3 GLU A 35 12.864 13.048 -11.388 1.00 1.58 H new ATOM 0 HG2 GLU A 35 13.205 14.497 -13.258 1.00 2.20 H new ATOM 0 HG3 GLU A 35 12.343 15.818 -12.495 1.00 2.20 H new ATOM 412 N GLY A 36 11.113 11.330 -12.033 1.00 1.77 N ATOM 413 CA GLY A 36 11.048 10.070 -12.754 1.00 2.19 C ATOM 414 C GLY A 36 10.120 9.089 -12.069 1.00 1.74 C ATOM 415 O GLY A 36 10.321 8.757 -10.901 1.00 1.77 O ATOM 0 H GLY A 36 11.446 11.254 -11.072 1.00 1.77 H new ATOM 0 HA2 GLY A 36 10.703 10.249 -13.772 1.00 2.19 H new ATOM 0 HA3 GLY A 36 12.046 9.639 -12.827 1.00 2.19 H new ATOM 419 N ASN A 37 9.086 8.644 -12.777 1.00 2.06 N ATOM 420 CA ASN A 37 8.118 7.721 -12.194 1.00 2.08 C ATOM 421 C ASN A 37 7.975 6.431 -12.996 1.00 1.73 C ATOM 422 O ASN A 37 8.065 6.429 -14.224 1.00 1.94 O ATOM 423 CB ASN A 37 6.759 8.411 -12.068 1.00 3.12 C ATOM 424 CG ASN A 37 6.160 8.770 -13.415 1.00 3.90 C ATOM 425 OD1 ASN A 37 4.974 9.367 -13.394 1.00 4.50 O flip ATOM 426 ND2 ASN A 37 6.757 8.515 -14.461 1.00 4.34 N flip ATOM 0 H ASN A 37 8.898 8.904 -13.745 1.00 2.06 H new ATOM 0 HA ASN A 37 8.491 7.442 -11.208 1.00 2.08 H new ATOM 0 HB2 ASN A 37 6.072 7.757 -11.532 1.00 3.12 H new ATOM 0 HB3 ASN A 37 6.869 9.316 -11.471 1.00 3.12 H new ATOM 0 HD21 ASN A 37 7.667 8.055 -14.430 1.00 4.34 H new ATOM 0 HD22 ASN A 37 6.342 8.764 -15.359 1.00 4.34 H new ATOM 431 N GLU A 38 7.733 5.337 -12.275 1.00 1.77 N ATOM 432 CA GLU A 38 7.551 4.023 -12.883 1.00 1.76 C ATOM 433 C GLU A 38 7.352 2.956 -11.806 1.00 1.90 C ATOM 434 O GLU A 38 8.279 2.634 -11.065 1.00 2.28 O ATOM 435 CB GLU A 38 8.759 3.665 -13.753 1.00 2.18 C ATOM 436 CG GLU A 38 8.389 2.951 -15.043 1.00 2.12 C ATOM 437 CD GLU A 38 9.398 3.187 -16.149 1.00 2.42 C ATOM 438 OE1 GLU A 38 10.485 2.574 -16.101 1.00 2.88 O ATOM 439 OE2 GLU A 38 9.101 3.983 -17.064 1.00 2.81 O ATOM 0 H GLU A 38 7.658 5.338 -11.258 1.00 1.77 H new ATOM 0 HA GLU A 38 6.661 4.058 -13.511 1.00 1.76 H new ATOM 0 HB2 GLU A 38 9.304 4.577 -13.996 1.00 2.18 H new ATOM 0 HB3 GLU A 38 9.435 3.032 -13.178 1.00 2.18 H new ATOM 0 HG2 GLU A 38 8.309 1.881 -14.852 1.00 2.12 H new ATOM 0 HG3 GLU A 38 7.407 3.290 -15.373 1.00 2.12 H new ATOM 446 N VAL A 39 6.135 2.410 -11.738 1.00 1.79 N ATOM 447 CA VAL A 39 5.784 1.368 -10.764 1.00 2.04 C ATOM 448 C VAL A 39 4.267 1.219 -10.654 1.00 1.58 C ATOM 449 O VAL A 39 3.514 2.087 -11.099 1.00 1.86 O ATOM 450 CB VAL A 39 6.350 1.634 -9.343 1.00 2.80 C ATOM 451 CG1 VAL A 39 7.674 0.911 -9.143 1.00 3.56 C ATOM 452 CG2 VAL A 39 6.497 3.124 -9.067 1.00 3.20 C ATOM 0 H VAL A 39 5.366 2.675 -12.354 1.00 1.79 H new ATOM 0 HA VAL A 39 6.239 0.453 -11.143 1.00 2.04 H new ATOM 0 HB VAL A 39 5.632 1.238 -8.625 1.00 2.80 H new ATOM 0 HG11 VAL A 39 8.051 1.113 -8.140 1.00 3.56 H new ATOM 0 HG12 VAL A 39 7.525 -0.162 -9.266 1.00 3.56 H new ATOM 0 HG13 VAL A 39 8.396 1.264 -9.880 1.00 3.56 H new ATOM 0 HG21 VAL A 39 6.896 3.270 -8.063 1.00 3.20 H new ATOM 0 HG22 VAL A 39 7.178 3.564 -9.796 1.00 3.20 H new ATOM 0 HG23 VAL A 39 5.523 3.606 -9.144 1.00 3.20 H new ATOM 456 N GLU A 40 3.828 0.116 -10.051 1.00 1.19 N ATOM 457 CA GLU A 40 2.402 -0.148 -9.875 1.00 0.87 C ATOM 458 C GLU A 40 2.117 -0.668 -8.468 1.00 0.72 C ATOM 459 O GLU A 40 2.584 -1.744 -8.089 1.00 0.71 O ATOM 460 CB GLU A 40 1.918 -1.161 -10.914 1.00 0.85 C ATOM 461 CG GLU A 40 0.423 -1.090 -11.183 1.00 0.98 C ATOM 462 CD GLU A 40 -0.067 -2.228 -12.056 1.00 1.62 C ATOM 463 OE1 GLU A 40 0.405 -2.338 -13.208 1.00 2.10 O ATOM 464 OE2 GLU A 40 -0.922 -3.009 -11.590 1.00 2.29 O ATOM 0 H GLU A 40 4.440 -0.609 -9.676 1.00 1.19 H new ATOM 0 HA GLU A 40 1.863 0.789 -10.014 1.00 0.87 H new ATOM 0 HB2 GLU A 40 2.455 -0.996 -11.848 1.00 0.85 H new ATOM 0 HB3 GLU A 40 2.170 -2.166 -10.575 1.00 0.85 H new ATOM 0 HG2 GLU A 40 -0.114 -1.107 -10.235 1.00 0.98 H new ATOM 0 HG3 GLU A 40 0.189 -0.141 -11.665 1.00 0.98 H new ATOM 471 N MET A 41 1.354 0.101 -7.694 1.00 0.77 N ATOM 472 CA MET A 41 1.020 -0.290 -6.325 1.00 0.73 C ATOM 473 C MET A 41 -0.485 -0.216 -6.075 1.00 0.68 C ATOM 474 O MET A 41 -1.038 0.865 -5.876 1.00 0.72 O ATOM 475 CB MET A 41 1.749 0.601 -5.308 1.00 0.88 C ATOM 476 CG MET A 41 3.015 1.262 -5.839 1.00 1.06 C ATOM 477 SD MET A 41 3.466 2.740 -4.909 1.00 1.42 S ATOM 478 CE MET A 41 4.789 2.107 -3.882 1.00 1.11 C ATOM 0 H MET A 41 0.957 0.993 -7.988 1.00 0.77 H new ATOM 0 HA MET A 41 1.345 -1.322 -6.198 1.00 0.73 H new ATOM 0 HB2 MET A 41 1.064 1.378 -4.968 1.00 0.88 H new ATOM 0 HB3 MET A 41 2.007 -0.000 -4.436 1.00 0.88 H new ATOM 0 HG2 MET A 41 3.837 0.548 -5.800 1.00 1.06 H new ATOM 0 HG3 MET A 41 2.871 1.526 -6.887 1.00 1.06 H new ATOM 0 HE1 MET A 41 5.277 2.934 -3.367 1.00 1.11 H new ATOM 0 HE2 MET A 41 4.379 1.413 -3.148 1.00 1.11 H new ATOM 0 HE3 MET A 41 5.517 1.587 -4.505 1.00 1.11 H new ATOM 488 N THR A 42 -1.143 -1.371 -6.071 1.00 0.81 N ATOM 489 CA THR A 42 -2.582 -1.424 -5.828 1.00 0.79 C ATOM 490 C THR A 42 -2.868 -1.491 -4.330 1.00 0.77 C ATOM 491 O THR A 42 -2.258 -2.281 -3.610 1.00 1.11 O ATOM 492 CB THR A 42 -3.204 -2.630 -6.541 1.00 0.95 C ATOM 493 OG1 THR A 42 -2.209 -3.396 -7.197 1.00 0.97 O ATOM 494 CG2 THR A 42 -4.240 -2.243 -7.574 1.00 1.61 C ATOM 0 H THR A 42 -0.706 -2.279 -6.232 1.00 0.81 H new ATOM 0 HA THR A 42 -3.031 -0.515 -6.228 1.00 0.79 H new ATOM 0 HB THR A 42 -3.692 -3.208 -5.757 1.00 0.95 H new ATOM 0 HG1 THR A 42 -2.633 -4.127 -7.693 1.00 0.97 H new ATOM 0 HG21 THR A 42 -4.641 -3.142 -8.042 1.00 1.61 H new ATOM 0 HG22 THR A 42 -5.048 -1.694 -7.091 1.00 1.61 H new ATOM 0 HG23 THR A 42 -3.778 -1.614 -8.335 1.00 1.61 H new ATOM 499 N VAL A 43 -3.790 -0.652 -3.862 1.00 0.65 N ATOM 500 CA VAL A 43 -4.136 -0.620 -2.445 1.00 0.64 C ATOM 501 C VAL A 43 -5.646 -0.543 -2.226 1.00 0.58 C ATOM 502 O VAL A 43 -6.315 0.383 -2.698 1.00 0.71 O ATOM 503 CB VAL A 43 -3.468 0.568 -1.729 1.00 0.75 C ATOM 504 CG1 VAL A 43 -3.635 0.444 -0.222 1.00 1.53 C ATOM 505 CG2 VAL A 43 -1.997 0.663 -2.104 1.00 1.51 C ATOM 0 H VAL A 43 -4.307 0.010 -4.440 1.00 0.65 H new ATOM 0 HA VAL A 43 -3.766 -1.554 -2.022 1.00 0.64 H new ATOM 0 HB VAL A 43 -3.959 1.486 -2.053 1.00 0.75 H new ATOM 0 HG11 VAL A 43 -3.157 1.292 0.268 1.00 1.53 H new ATOM 0 HG12 VAL A 43 -4.696 0.432 0.027 1.00 1.53 H new ATOM 0 HG13 VAL A 43 -3.172 -0.481 0.120 1.00 1.53 H new ATOM 0 HG21 VAL A 43 -1.544 1.509 -1.587 1.00 1.51 H new ATOM 0 HG22 VAL A 43 -1.487 -0.255 -1.813 1.00 1.51 H new ATOM 0 HG23 VAL A 43 -1.904 0.804 -3.181 1.00 1.51 H new ATOM 509 N ARG A 44 -6.171 -1.518 -1.492 1.00 0.55 N ATOM 510 CA ARG A 44 -7.594 -1.572 -1.185 1.00 0.54 C ATOM 511 C ARG A 44 -7.824 -1.347 0.306 1.00 0.57 C ATOM 512 O ARG A 44 -7.491 -2.198 1.133 1.00 0.69 O ATOM 513 CB ARG A 44 -8.179 -2.919 -1.612 1.00 0.61 C ATOM 514 CG ARG A 44 -9.662 -2.861 -1.942 1.00 1.19 C ATOM 515 CD ARG A 44 -10.113 -4.093 -2.712 1.00 1.98 C ATOM 516 NE ARG A 44 -9.518 -4.155 -4.047 1.00 2.48 N ATOM 517 CZ ARG A 44 -8.378 -4.784 -4.328 1.00 3.13 C ATOM 518 NH1 ARG A 44 -7.694 -5.403 -3.373 1.00 3.54 N ATOM 519 NH2 ARG A 44 -7.917 -4.791 -5.572 1.00 3.77 N ATOM 0 H ARG A 44 -5.628 -2.286 -1.097 1.00 0.55 H new ATOM 0 HA ARG A 44 -8.098 -0.780 -1.739 1.00 0.54 H new ATOM 0 HB2 ARG A 44 -7.635 -3.282 -2.484 1.00 0.61 H new ATOM 0 HB3 ARG A 44 -8.021 -3.644 -0.813 1.00 0.61 H new ATOM 0 HG2 ARG A 44 -10.237 -2.777 -1.020 1.00 1.19 H new ATOM 0 HG3 ARG A 44 -9.870 -1.967 -2.530 1.00 1.19 H new ATOM 0 HD2 ARG A 44 -9.842 -4.989 -2.153 1.00 1.98 H new ATOM 0 HD3 ARG A 44 -11.199 -4.088 -2.800 1.00 1.98 H new ATOM 0 HE ARG A 44 -10.007 -3.687 -4.810 1.00 2.48 H new ATOM 0 HH11 ARG A 44 -8.040 -5.400 -2.414 1.00 3.54 H new ATOM 0 HH12 ARG A 44 -6.822 -5.882 -3.599 1.00 3.54 H new ATOM 0 HH21 ARG A 44 -8.435 -4.315 -6.311 1.00 3.77 H new ATOM 0 HH22 ARG A 44 -7.044 -5.272 -5.790 1.00 3.77 H new ATOM 533 N ILE A 45 -8.383 -0.192 0.645 1.00 0.55 N ATOM 534 CA ILE A 45 -8.644 0.148 2.037 1.00 0.61 C ATOM 535 C ILE A 45 -10.118 -0.054 2.386 1.00 0.59 C ATOM 536 O ILE A 45 -10.973 0.751 2.016 1.00 0.60 O ATOM 537 CB ILE A 45 -8.219 1.603 2.337 1.00 0.71 C ATOM 538 CG1 ILE A 45 -8.661 2.034 3.739 1.00 0.59 C ATOM 539 CG2 ILE A 45 -8.778 2.547 1.286 1.00 0.94 C ATOM 540 CD1 ILE A 45 -7.519 2.515 4.607 1.00 0.63 C ATOM 0 H ILE A 45 -8.664 0.524 -0.025 1.00 0.55 H new ATOM 0 HA ILE A 45 -8.050 -0.523 2.658 1.00 0.61 H new ATOM 0 HB ILE A 45 -7.130 1.648 2.303 1.00 0.71 H new ATOM 0 HG12 ILE A 45 -9.400 2.830 3.650 1.00 0.59 H new ATOM 0 HG13 ILE A 45 -9.153 1.195 4.231 1.00 0.59 H new ATOM 0 HG21 ILE A 45 -8.469 3.568 1.512 1.00 0.94 H new ATOM 0 HG22 ILE A 45 -8.400 2.263 0.304 1.00 0.94 H new ATOM 0 HG23 ILE A 45 -9.866 2.489 1.287 1.00 0.94 H new ATOM 0 HD11 ILE A 45 -7.903 2.804 5.585 1.00 0.63 H new ATOM 0 HD12 ILE A 45 -6.790 1.714 4.726 1.00 0.63 H new ATOM 0 HD13 ILE A 45 -7.041 3.374 4.136 1.00 0.63 H new ATOM 544 N VAL A 46 -10.400 -1.139 3.101 1.00 0.63 N ATOM 545 CA VAL A 46 -11.762 -1.464 3.509 1.00 0.63 C ATOM 546 C VAL A 46 -11.762 -2.240 4.824 1.00 0.64 C ATOM 547 O VAL A 46 -10.749 -2.820 5.212 1.00 0.68 O ATOM 548 CB VAL A 46 -12.486 -2.293 2.426 1.00 0.70 C ATOM 549 CG1 VAL A 46 -11.663 -3.515 2.049 1.00 1.21 C ATOM 550 CG2 VAL A 46 -13.876 -2.704 2.895 1.00 1.52 C ATOM 0 H VAL A 46 -9.698 -1.811 3.411 1.00 0.63 H new ATOM 0 HA VAL A 46 -12.294 -0.523 3.646 1.00 0.63 H new ATOM 0 HB VAL A 46 -12.600 -1.669 1.540 1.00 0.70 H new ATOM 0 HG11 VAL A 46 -12.190 -4.087 1.285 1.00 1.21 H new ATOM 0 HG12 VAL A 46 -10.695 -3.197 1.662 1.00 1.21 H new ATOM 0 HG13 VAL A 46 -11.514 -4.139 2.930 1.00 1.21 H new ATOM 0 HG21 VAL A 46 -14.366 -3.287 2.115 1.00 1.52 H new ATOM 0 HG22 VAL A 46 -13.791 -3.307 3.799 1.00 1.52 H new ATOM 0 HG23 VAL A 46 -14.467 -1.813 3.107 1.00 1.52 H new ATOM 554 N ASP A 47 -12.904 -2.244 5.508 1.00 0.66 N ATOM 555 CA ASP A 47 -13.035 -2.945 6.782 1.00 0.71 C ATOM 556 C ASP A 47 -12.464 -4.359 6.700 1.00 0.74 C ATOM 557 O ASP A 47 -12.137 -4.848 5.618 1.00 0.81 O ATOM 558 CB ASP A 47 -14.504 -3.002 7.206 1.00 0.75 C ATOM 559 CG ASP A 47 -14.681 -2.823 8.701 1.00 1.35 C ATOM 560 OD1 ASP A 47 -13.773 -3.223 9.459 1.00 1.88 O ATOM 561 OD2 ASP A 47 -15.729 -2.283 9.114 1.00 2.11 O ATOM 0 H ASP A 47 -13.753 -1.769 5.200 1.00 0.66 H new ATOM 0 HA ASP A 47 -12.465 -2.390 7.527 1.00 0.71 H new ATOM 0 HB2 ASP A 47 -15.061 -2.226 6.681 1.00 0.75 H new ATOM 0 HB3 ASP A 47 -14.930 -3.959 6.904 1.00 0.75 H new ATOM 566 N GLU A 48 -12.339 -5.003 7.855 1.00 0.76 N ATOM 567 CA GLU A 48 -11.799 -6.356 7.929 1.00 0.82 C ATOM 568 C GLU A 48 -12.690 -7.357 7.197 1.00 0.79 C ATOM 569 O GLU A 48 -12.233 -8.073 6.306 1.00 0.83 O ATOM 570 CB GLU A 48 -11.640 -6.776 9.392 1.00 0.92 C ATOM 571 CG GLU A 48 -10.560 -6.004 10.133 1.00 1.39 C ATOM 572 CD GLU A 48 -10.694 -6.113 11.640 1.00 1.59 C ATOM 573 OE1 GLU A 48 -11.730 -5.670 12.177 1.00 1.81 O ATOM 574 OE2 GLU A 48 -9.762 -6.642 12.281 1.00 2.30 O ATOM 0 H GLU A 48 -12.606 -4.608 8.757 1.00 0.76 H new ATOM 0 HA GLU A 48 -10.825 -6.353 7.441 1.00 0.82 H new ATOM 0 HB2 GLU A 48 -12.591 -6.638 9.906 1.00 0.92 H new ATOM 0 HB3 GLU A 48 -11.407 -7.840 9.433 1.00 0.92 H new ATOM 0 HG2 GLU A 48 -9.581 -6.376 9.831 1.00 1.39 H new ATOM 0 HG3 GLU A 48 -10.605 -4.954 9.843 1.00 1.39 H new ATOM 581 N ALA A 49 -13.960 -7.409 7.587 1.00 0.86 N ATOM 582 CA ALA A 49 -14.917 -8.333 6.980 1.00 0.89 C ATOM 583 C ALA A 49 -14.856 -8.303 5.456 1.00 0.83 C ATOM 584 O ALA A 49 -14.628 -9.328 4.814 1.00 0.80 O ATOM 585 CB ALA A 49 -16.326 -8.012 7.455 1.00 0.99 C ATOM 0 H ALA A 49 -14.353 -6.821 8.322 1.00 0.86 H new ATOM 0 HA ALA A 49 -14.646 -9.340 7.297 1.00 0.89 H new ATOM 0 HB1 ALA A 49 -17.031 -8.706 6.997 1.00 0.99 H new ATOM 0 HB2 ALA A 49 -16.375 -8.108 8.540 1.00 0.99 H new ATOM 0 HB3 ALA A 49 -16.583 -6.992 7.169 1.00 0.99 H new ATOM 591 N GLU A 50 -15.071 -7.126 4.884 1.00 0.87 N ATOM 592 CA GLU A 50 -15.055 -6.957 3.432 1.00 0.88 C ATOM 593 C GLU A 50 -13.836 -7.623 2.795 1.00 0.84 C ATOM 594 O GLU A 50 -13.973 -8.544 1.991 1.00 0.85 O ATOM 595 CB GLU A 50 -15.080 -5.471 3.073 1.00 0.98 C ATOM 596 CG GLU A 50 -16.103 -5.121 2.006 1.00 1.52 C ATOM 597 CD GLU A 50 -16.852 -3.839 2.314 1.00 1.54 C ATOM 598 OE1 GLU A 50 -17.178 -3.613 3.498 1.00 1.85 O ATOM 599 OE2 GLU A 50 -17.114 -3.063 1.371 1.00 2.17 O ATOM 0 H GLU A 50 -15.260 -6.269 5.404 1.00 0.87 H new ATOM 0 HA GLU A 50 -15.947 -7.444 3.037 1.00 0.88 H new ATOM 0 HB2 GLU A 50 -15.292 -4.892 3.972 1.00 0.98 H new ATOM 0 HB3 GLU A 50 -14.090 -5.172 2.728 1.00 0.98 H new ATOM 0 HG2 GLU A 50 -15.600 -5.021 1.044 1.00 1.52 H new ATOM 0 HG3 GLU A 50 -16.816 -5.940 1.909 1.00 1.52 H new ATOM 606 N SER A 51 -12.647 -7.149 3.154 1.00 0.87 N ATOM 607 CA SER A 51 -11.408 -7.698 2.610 1.00 0.92 C ATOM 608 C SER A 51 -11.331 -9.206 2.830 1.00 0.84 C ATOM 609 O SER A 51 -11.196 -9.981 1.881 1.00 0.83 O ATOM 610 CB SER A 51 -10.198 -7.018 3.254 1.00 1.04 C ATOM 611 OG SER A 51 -10.304 -5.607 3.177 1.00 1.90 O ATOM 0 H SER A 51 -12.514 -6.387 3.819 1.00 0.87 H new ATOM 0 HA SER A 51 -11.400 -7.506 1.537 1.00 0.92 H new ATOM 0 HB2 SER A 51 -10.118 -7.323 4.297 1.00 1.04 H new ATOM 0 HB3 SER A 51 -9.285 -7.345 2.756 1.00 1.04 H new ATOM 0 HG SER A 51 -10.209 -5.222 4.073 1.00 1.90 H new ATOM 617 N HIS A 52 -11.421 -9.615 4.089 1.00 0.86 N ATOM 618 CA HIS A 52 -11.364 -11.029 4.442 1.00 0.86 C ATOM 619 C HIS A 52 -12.323 -11.843 3.585 1.00 0.83 C ATOM 620 O HIS A 52 -11.918 -12.787 2.908 1.00 0.90 O ATOM 621 CB HIS A 52 -11.691 -11.210 5.921 1.00 0.94 C ATOM 622 CG HIS A 52 -10.797 -10.413 6.815 1.00 0.99 C ATOM 623 ND1 HIS A 52 -11.027 -9.834 8.015 1.00 1.39 N flip ATOM 624 CD2 HIS A 52 -9.483 -10.138 6.503 1.00 1.61 C flip ATOM 625 CE1 HIS A 52 -9.858 -9.228 8.406 1.00 1.28 C flip ATOM 626 NE2 HIS A 52 -8.943 -9.429 7.475 1.00 1.39 N flip ATOM 0 H HIS A 52 -11.534 -8.987 4.885 1.00 0.86 H new ATOM 0 HA HIS A 52 -10.353 -11.391 4.254 1.00 0.86 H new ATOM 0 HB2 HIS A 52 -12.726 -10.919 6.097 1.00 0.94 H new ATOM 0 HB3 HIS A 52 -11.608 -12.266 6.180 1.00 0.94 H new ATOM 0 HD1 HIS A 52 -11.905 -9.845 8.534 1.00 1.39 H new ATOM 0 HD2 HIS A 52 -8.975 -10.454 5.604 1.00 1.61 H new ATOM 0 HE1 HIS A 52 -9.711 -8.678 9.324 1.00 1.28 H new ATOM 635 N GLU A 53 -13.594 -11.461 3.604 1.00 0.86 N ATOM 636 CA GLU A 53 -14.601 -12.151 2.812 1.00 0.95 C ATOM 637 C GLU A 53 -14.254 -12.055 1.332 1.00 0.94 C ATOM 638 O GLU A 53 -14.386 -13.025 0.588 1.00 0.95 O ATOM 639 CB GLU A 53 -15.987 -11.552 3.070 1.00 1.10 C ATOM 640 CG GLU A 53 -17.036 -12.587 3.441 1.00 1.68 C ATOM 641 CD GLU A 53 -17.213 -13.646 2.370 1.00 2.38 C ATOM 642 OE1 GLU A 53 -17.585 -13.285 1.234 1.00 2.71 O ATOM 643 OE2 GLU A 53 -16.979 -14.836 2.668 1.00 3.10 O ATOM 0 H GLU A 53 -13.949 -10.681 4.157 1.00 0.86 H new ATOM 0 HA GLU A 53 -14.618 -13.201 3.105 1.00 0.95 H new ATOM 0 HB2 GLU A 53 -15.913 -10.818 3.872 1.00 1.10 H new ATOM 0 HB3 GLU A 53 -16.315 -11.018 2.178 1.00 1.10 H new ATOM 0 HG2 GLU A 53 -16.753 -13.067 4.378 1.00 1.68 H new ATOM 0 HG3 GLU A 53 -17.989 -12.087 3.614 1.00 1.68 H new ATOM 650 N LEU A 54 -13.798 -10.875 0.918 1.00 0.95 N ATOM 651 CA LEU A 54 -13.418 -10.634 -0.471 1.00 1.00 C ATOM 652 C LEU A 54 -12.417 -11.683 -0.954 1.00 0.89 C ATOM 653 O LEU A 54 -12.603 -12.294 -2.007 1.00 0.93 O ATOM 654 CB LEU A 54 -12.824 -9.225 -0.615 1.00 1.06 C ATOM 655 CG LEU A 54 -12.165 -8.906 -1.964 1.00 1.15 C ATOM 656 CD1 LEU A 54 -10.770 -9.509 -2.041 1.00 1.23 C ATOM 657 CD2 LEU A 54 -13.029 -9.396 -3.118 1.00 1.24 C ATOM 0 H LEU A 54 -13.682 -10.067 1.529 1.00 0.95 H new ATOM 0 HA LEU A 54 -14.312 -10.709 -1.090 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -13.617 -8.498 -0.440 1.00 1.06 H new ATOM 0 HB3 LEU A 54 -12.083 -9.083 0.171 1.00 1.06 H new ATOM 0 HG LEU A 54 -12.071 -7.823 -2.046 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -10.323 -9.270 -3.006 1.00 1.23 H new ATOM 0 HD12 LEU A 54 -10.152 -9.099 -1.243 1.00 1.23 H new ATOM 0 HD13 LEU A 54 -10.835 -10.591 -1.930 1.00 1.23 H new ATOM 0 HD21 LEU A 54 -12.542 -9.159 -4.064 1.00 1.24 H new ATOM 0 HD22 LEU A 54 -13.163 -10.475 -3.040 1.00 1.24 H new ATOM 0 HD23 LEU A 54 -14.002 -8.906 -3.078 1.00 1.24 H new ATOM 663 N ASN A 55 -11.358 -11.888 -0.177 1.00 0.78 N ATOM 664 CA ASN A 55 -10.331 -12.864 -0.534 1.00 0.71 C ATOM 665 C ASN A 55 -10.883 -14.281 -0.463 1.00 0.69 C ATOM 666 O ASN A 55 -10.895 -15.012 -1.454 1.00 0.74 O ATOM 667 CB ASN A 55 -9.100 -12.759 0.388 1.00 0.68 C ATOM 668 CG ASN A 55 -9.017 -11.451 1.159 1.00 1.33 C ATOM 669 OD1 ASN A 55 -9.132 -10.370 0.582 1.00 2.28 O ATOM 670 ND2 ASN A 55 -8.810 -11.545 2.472 1.00 1.42 N ATOM 0 H ASN A 55 -11.188 -11.395 0.700 1.00 0.78 H new ATOM 0 HA ASN A 55 -10.024 -12.640 -1.556 1.00 0.71 H new ATOM 0 HB2 ASN A 55 -9.118 -13.587 1.097 1.00 0.68 H new ATOM 0 HB3 ASN A 55 -8.198 -12.873 -0.213 1.00 0.68 H new ATOM 0 HD21 ASN A 55 -8.741 -10.700 3.039 1.00 1.42 H new ATOM 0 HD22 ASN A 55 -8.721 -12.462 2.910 1.00 1.42 H new ATOM 675 N LEU A 56 -11.317 -14.663 0.727 1.00 0.71 N ATOM 676 CA LEU A 56 -11.849 -15.997 0.962 1.00 0.79 C ATOM 677 C LEU A 56 -13.007 -16.340 0.026 1.00 0.87 C ATOM 678 O LEU A 56 -13.311 -17.516 -0.179 1.00 0.97 O ATOM 679 CB LEU A 56 -12.303 -16.132 2.417 1.00 0.84 C ATOM 680 CG LEU A 56 -11.221 -16.590 3.397 1.00 0.89 C ATOM 681 CD1 LEU A 56 -10.228 -15.468 3.666 1.00 0.91 C ATOM 682 CD2 LEU A 56 -11.855 -17.068 4.694 1.00 0.92 C ATOM 0 H LEU A 56 -11.311 -14.063 1.552 1.00 0.71 H new ATOM 0 HA LEU A 56 -11.044 -16.702 0.755 1.00 0.79 H new ATOM 0 HB2 LEU A 56 -12.689 -15.169 2.751 1.00 0.84 H new ATOM 0 HB3 LEU A 56 -13.131 -16.839 2.458 1.00 0.84 H new ATOM 0 HG LEU A 56 -10.678 -17.422 2.949 1.00 0.89 H new ATOM 0 HD11 LEU A 56 -9.467 -15.815 4.365 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -9.753 -15.171 2.731 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -10.752 -14.614 4.094 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -11.075 -17.391 5.383 1.00 0.92 H new ATOM 0 HD22 LEU A 56 -12.422 -16.253 5.144 1.00 0.92 H new ATOM 0 HD23 LEU A 56 -12.524 -17.903 4.486 1.00 0.92 H new ATOM 688 N THR A 57 -13.664 -15.327 -0.528 1.00 0.93 N ATOM 689 CA THR A 57 -14.794 -15.569 -1.420 1.00 1.09 C ATOM 690 C THR A 57 -14.342 -15.884 -2.843 1.00 1.14 C ATOM 691 O THR A 57 -15.045 -16.575 -3.580 1.00 1.27 O ATOM 692 CB THR A 57 -15.752 -14.372 -1.429 1.00 1.23 C ATOM 693 OG1 THR A 57 -16.980 -14.722 -2.042 1.00 1.51 O ATOM 694 CG2 THR A 57 -15.211 -13.157 -2.157 1.00 1.45 C ATOM 0 H THR A 57 -13.439 -14.343 -0.379 1.00 0.93 H new ATOM 0 HA THR A 57 -15.320 -16.442 -1.034 1.00 1.09 H new ATOM 0 HB THR A 57 -15.885 -14.110 -0.379 1.00 1.23 H new ATOM 0 HG1 THR A 57 -17.580 -13.947 -2.038 1.00 1.51 H new ATOM 0 HG21 THR A 57 -15.946 -12.353 -2.119 1.00 1.45 H new ATOM 0 HG22 THR A 57 -14.288 -12.828 -1.679 1.00 1.45 H new ATOM 0 HG23 THR A 57 -15.009 -13.416 -3.196 1.00 1.45 H new ATOM 699 N TYR A 58 -13.183 -15.364 -3.242 1.00 1.08 N ATOM 700 CA TYR A 58 -12.694 -15.599 -4.597 1.00 1.17 C ATOM 701 C TYR A 58 -11.465 -16.513 -4.636 1.00 1.08 C ATOM 702 O TYR A 58 -11.026 -16.905 -5.718 1.00 1.19 O ATOM 703 CB TYR A 58 -12.422 -14.261 -5.305 1.00 1.25 C ATOM 704 CG TYR A 58 -10.982 -13.791 -5.279 1.00 1.20 C ATOM 705 CD1 TYR A 58 -10.440 -13.211 -4.141 1.00 1.67 C ATOM 706 CD2 TYR A 58 -10.175 -13.909 -6.404 1.00 1.25 C ATOM 707 CE1 TYR A 58 -9.134 -12.762 -4.122 1.00 2.23 C ATOM 708 CE2 TYR A 58 -8.866 -13.466 -6.392 1.00 1.55 C ATOM 709 CZ TYR A 58 -8.350 -12.892 -5.249 1.00 2.11 C ATOM 710 OH TYR A 58 -7.049 -12.446 -5.235 1.00 2.74 O ATOM 0 H TYR A 58 -12.576 -14.788 -2.659 1.00 1.08 H new ATOM 0 HA TYR A 58 -13.479 -16.129 -5.137 1.00 1.17 H new ATOM 0 HB2 TYR A 58 -12.739 -14.349 -6.344 1.00 1.25 H new ATOM 0 HB3 TYR A 58 -13.045 -13.493 -4.846 1.00 1.25 H new ATOM 0 HD1 TYR A 58 -11.050 -13.109 -3.255 1.00 1.67 H new ATOM 0 HD2 TYR A 58 -10.577 -14.354 -7.302 1.00 1.25 H new ATOM 0 HE1 TYR A 58 -8.729 -12.311 -3.228 1.00 2.23 H new ATOM 0 HE2 TYR A 58 -8.250 -13.569 -7.273 1.00 1.55 H new ATOM 0 HH TYR A 58 -6.933 -11.799 -4.508 1.00 2.74 H new ATOM 720 N ARG A 59 -10.911 -16.872 -3.475 1.00 0.99 N ATOM 721 CA ARG A 59 -9.743 -17.760 -3.463 1.00 0.99 C ATOM 722 C ARG A 59 -9.593 -18.549 -2.161 1.00 0.90 C ATOM 723 O ARG A 59 -9.092 -19.674 -2.176 1.00 0.97 O ATOM 724 CB ARG A 59 -8.453 -16.980 -3.735 1.00 1.05 C ATOM 725 CG ARG A 59 -8.454 -15.551 -3.219 1.00 1.58 C ATOM 726 CD ARG A 59 -7.701 -15.432 -1.905 1.00 1.65 C ATOM 727 NE ARG A 59 -6.254 -15.520 -2.096 1.00 2.22 N ATOM 728 CZ ARG A 59 -5.539 -16.628 -1.901 1.00 2.71 C ATOM 729 NH1 ARG A 59 -6.126 -17.754 -1.511 1.00 3.08 N ATOM 730 NH2 ARG A 59 -4.228 -16.611 -2.101 1.00 3.32 N ATOM 0 H ARG A 59 -11.239 -16.573 -2.556 1.00 0.99 H new ATOM 0 HA ARG A 59 -9.916 -18.480 -4.263 1.00 0.99 H new ATOM 0 HB2 ARG A 59 -7.619 -17.515 -3.281 1.00 1.05 H new ATOM 0 HB3 ARG A 59 -8.274 -16.963 -4.810 1.00 1.05 H new ATOM 0 HG2 ARG A 59 -7.999 -14.895 -3.961 1.00 1.58 H new ATOM 0 HG3 ARG A 59 -9.481 -15.213 -3.083 1.00 1.58 H new ATOM 0 HD2 ARG A 59 -7.947 -14.482 -1.430 1.00 1.65 H new ATOM 0 HD3 ARG A 59 -8.026 -16.221 -1.227 1.00 1.65 H new ATOM 0 HE ARG A 59 -5.760 -14.680 -2.398 1.00 2.22 H new ATOM 0 HH11 ARG A 59 -7.134 -17.777 -1.358 1.00 3.08 H new ATOM 0 HH12 ARG A 59 -5.569 -18.596 -1.365 1.00 3.08 H new ATOM 0 HH21 ARG A 59 -3.769 -15.752 -2.403 1.00 3.32 H new ATOM 0 HH22 ARG A 59 -3.678 -17.457 -1.953 1.00 3.32 H new ATOM 744 N GLY A 60 -9.998 -17.967 -1.039 1.00 0.81 N ATOM 745 CA GLY A 60 -9.856 -18.659 0.232 1.00 0.80 C ATOM 746 C GLY A 60 -8.560 -18.286 0.927 1.00 0.78 C ATOM 747 O GLY A 60 -7.839 -19.150 1.425 1.00 0.88 O ATOM 0 H GLY A 60 -10.418 -17.039 -0.983 1.00 0.81 H new ATOM 0 HA2 GLY A 60 -10.700 -18.414 0.877 1.00 0.80 H new ATOM 0 HA3 GLY A 60 -9.884 -19.736 0.066 1.00 0.80 H new ATOM 751 N LYS A 61 -8.260 -16.991 0.939 1.00 0.76 N ATOM 752 CA LYS A 61 -7.036 -16.486 1.552 1.00 0.90 C ATOM 753 C LYS A 61 -6.988 -16.772 3.050 1.00 0.95 C ATOM 754 O LYS A 61 -7.749 -17.590 3.566 1.00 1.42 O ATOM 755 CB LYS A 61 -6.898 -14.983 1.296 1.00 1.17 C ATOM 756 CG LYS A 61 -5.477 -14.557 0.960 1.00 1.31 C ATOM 757 CD LYS A 61 -5.451 -13.472 -0.103 1.00 1.00 C ATOM 758 CE LYS A 61 -4.166 -13.520 -0.912 1.00 1.42 C ATOM 759 NZ LYS A 61 -3.148 -12.563 -0.397 1.00 2.13 N ATOM 0 H LYS A 61 -8.852 -16.268 0.529 1.00 0.76 H new ATOM 0 HA LYS A 61 -6.198 -17.010 1.091 1.00 0.90 H new ATOM 0 HB2 LYS A 61 -7.558 -14.699 0.476 1.00 1.17 H new ATOM 0 HB3 LYS A 61 -7.234 -14.439 2.179 1.00 1.17 H new ATOM 0 HG2 LYS A 61 -4.983 -14.195 1.862 1.00 1.31 H new ATOM 0 HG3 LYS A 61 -4.911 -15.421 0.612 1.00 1.31 H new ATOM 0 HD2 LYS A 61 -6.306 -13.591 -0.768 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -5.549 -12.495 0.370 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -3.759 -14.531 -0.887 1.00 1.42 H new ATOM 0 HE3 LYS A 61 -4.385 -13.290 -1.955 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 -2.803 -11.970 -1.178 1.00 2.13 H new ATOM 0 HZ2 LYS A 61 -3.577 -11.959 0.333 1.00 2.13 H new ATOM 0 HZ3 LYS A 61 -2.352 -13.091 0.015 1.00 2.13 H new ATOM 773 N ASP A 62 -6.064 -16.097 3.731 1.00 1.17 N ATOM 774 CA ASP A 62 -5.867 -16.261 5.167 1.00 1.25 C ATOM 775 C ASP A 62 -7.160 -16.019 5.957 1.00 1.66 C ATOM 776 O ASP A 62 -8.259 -16.268 5.463 1.00 2.50 O ATOM 777 CB ASP A 62 -4.761 -15.310 5.639 1.00 1.84 C ATOM 778 CG ASP A 62 -3.866 -15.937 6.691 1.00 2.50 C ATOM 779 OD1 ASP A 62 -3.482 -17.113 6.519 1.00 2.95 O ATOM 780 OD2 ASP A 62 -3.550 -15.252 7.686 1.00 3.06 O ATOM 0 H ASP A 62 -5.432 -15.422 3.302 1.00 1.17 H new ATOM 0 HA ASP A 62 -5.570 -17.293 5.354 1.00 1.25 H new ATOM 0 HB2 ASP A 62 -4.156 -15.009 4.784 1.00 1.84 H new ATOM 0 HB3 ASP A 62 -5.213 -14.405 6.044 1.00 1.84 H new ATOM 785 N ARG A 63 -7.018 -15.541 7.193 1.00 1.71 N ATOM 786 CA ARG A 63 -8.157 -15.273 8.061 1.00 2.49 C ATOM 787 C ARG A 63 -8.100 -13.829 8.548 1.00 2.22 C ATOM 788 O ARG A 63 -7.194 -13.094 8.162 1.00 1.77 O ATOM 789 CB ARG A 63 -8.133 -16.245 9.244 1.00 3.33 C ATOM 790 CG ARG A 63 -9.203 -17.323 9.170 1.00 4.23 C ATOM 791 CD ARG A 63 -8.625 -18.642 8.680 1.00 4.88 C ATOM 792 NE ARG A 63 -9.426 -19.788 9.108 1.00 5.84 N ATOM 793 CZ ARG A 63 -10.462 -20.270 8.424 1.00 6.66 C ATOM 794 NH1 ARG A 63 -10.842 -19.701 7.286 1.00 6.76 N ATOM 795 NH2 ARG A 63 -11.123 -21.325 8.881 1.00 7.66 N ATOM 0 H ARG A 63 -6.114 -15.331 7.616 1.00 1.71 H new ATOM 0 HA ARG A 63 -9.086 -15.416 7.509 1.00 2.49 H new ATOM 0 HB2 ARG A 63 -7.153 -16.720 9.293 1.00 3.33 H new ATOM 0 HB3 ARG A 63 -8.260 -15.682 10.168 1.00 3.33 H new ATOM 0 HG2 ARG A 63 -9.650 -17.463 10.154 1.00 4.23 H new ATOM 0 HG3 ARG A 63 -10.000 -17.002 8.500 1.00 4.23 H new ATOM 0 HD2 ARG A 63 -8.565 -18.629 7.592 1.00 4.88 H new ATOM 0 HD3 ARG A 63 -7.607 -18.752 9.054 1.00 4.88 H new ATOM 0 HE ARG A 63 -9.176 -20.246 9.984 1.00 5.84 H new ATOM 0 HH11 ARG A 63 -10.339 -18.888 6.929 1.00 6.76 H new ATOM 0 HH12 ARG A 63 -11.637 -20.077 6.768 1.00 6.76 H new ATOM 0 HH21 ARG A 63 -10.838 -21.766 9.755 1.00 7.66 H new ATOM 0 HH22 ARG A 63 -11.917 -21.695 8.358 1.00 7.66 H new ATOM 809 N PRO A 64 -9.058 -13.391 9.395 1.00 3.04 N ATOM 810 CA PRO A 64 -9.088 -12.019 9.916 1.00 3.30 C ATOM 811 C PRO A 64 -7.698 -11.473 10.233 1.00 2.79 C ATOM 812 O PRO A 64 -7.245 -11.504 11.378 1.00 3.00 O ATOM 813 CB PRO A 64 -9.925 -12.168 11.179 1.00 4.45 C ATOM 814 CG PRO A 64 -10.917 -13.219 10.821 1.00 4.81 C ATOM 815 CD PRO A 64 -10.195 -14.185 9.912 1.00 4.12 C ATOM 0 HA PRO A 64 -9.490 -11.307 9.196 1.00 3.30 H new ATOM 0 HB2 PRO A 64 -9.315 -12.467 12.031 1.00 4.45 H new ATOM 0 HB3 PRO A 64 -10.413 -11.232 11.449 1.00 4.45 H new ATOM 0 HG2 PRO A 64 -11.287 -13.725 11.713 1.00 4.81 H new ATOM 0 HG3 PRO A 64 -11.782 -12.784 10.319 1.00 4.81 H new ATOM 0 HD2 PRO A 64 -9.855 -15.067 10.454 1.00 4.12 H new ATOM 0 HD3 PRO A 64 -10.839 -14.535 9.106 1.00 4.12 H new ATOM 823 N THR A 65 -7.028 -10.991 9.194 1.00 2.27 N ATOM 824 CA THR A 65 -5.684 -10.448 9.311 1.00 2.01 C ATOM 825 C THR A 65 -5.713 -8.953 9.631 1.00 1.59 C ATOM 826 O THR A 65 -6.743 -8.412 10.034 1.00 1.81 O ATOM 827 CB THR A 65 -4.926 -10.697 8.001 1.00 2.13 C ATOM 828 OG1 THR A 65 -3.532 -10.528 8.184 1.00 2.47 O ATOM 829 CG2 THR A 65 -5.357 -9.786 6.869 1.00 2.82 C ATOM 0 H THR A 65 -7.403 -10.966 8.246 1.00 2.27 H new ATOM 0 HA THR A 65 -5.175 -10.949 10.134 1.00 2.01 H new ATOM 0 HB THR A 65 -5.166 -11.724 7.726 1.00 2.13 H new ATOM 0 HG1 THR A 65 -3.068 -10.693 7.337 1.00 2.47 H new ATOM 0 HG21 THR A 65 -4.779 -10.019 5.975 1.00 2.82 H new ATOM 0 HG22 THR A 65 -6.417 -9.936 6.665 1.00 2.82 H new ATOM 0 HG23 THR A 65 -5.185 -8.748 7.152 1.00 2.82 H new ATOM 834 N ASN A 66 -4.576 -8.294 9.431 1.00 1.36 N ATOM 835 CA ASN A 66 -4.460 -6.862 9.677 1.00 1.09 C ATOM 836 C ASN A 66 -4.163 -6.129 8.374 1.00 0.83 C ATOM 837 O ASN A 66 -4.768 -5.099 8.075 1.00 1.09 O ATOM 838 CB ASN A 66 -3.355 -6.584 10.700 1.00 1.37 C ATOM 839 CG ASN A 66 -3.149 -5.101 10.947 1.00 1.54 C ATOM 840 OD1 ASN A 66 -4.245 -4.371 11.113 1.00 2.36 O flip ATOM 841 ND2 ASN A 66 -2.017 -4.618 10.986 1.00 1.35 N flip ATOM 0 H ASN A 66 -3.718 -8.733 9.097 1.00 1.36 H new ATOM 0 HA ASN A 66 -5.406 -6.500 10.079 1.00 1.09 H new ATOM 0 HB2 ASN A 66 -3.604 -7.074 11.641 1.00 1.37 H new ATOM 0 HB3 ASN A 66 -2.421 -7.023 10.349 1.00 1.37 H new ATOM 0 HD21 ASN A 66 -1.202 -5.217 10.853 1.00 1.35 H new ATOM 0 HD22 ASN A 66 -1.894 -3.619 11.151 1.00 1.35 H new ATOM 846 N VAL A 67 -3.231 -6.676 7.601 1.00 0.71 N ATOM 847 CA VAL A 67 -2.849 -6.088 6.324 1.00 0.79 C ATOM 848 C VAL A 67 -2.582 -7.171 5.285 1.00 0.79 C ATOM 849 O VAL A 67 -1.447 -7.614 5.112 1.00 0.81 O ATOM 850 CB VAL A 67 -1.594 -5.204 6.466 1.00 1.12 C ATOM 851 CG1 VAL A 67 -1.180 -4.634 5.116 1.00 1.59 C ATOM 852 CG2 VAL A 67 -1.837 -4.088 7.473 1.00 1.51 C ATOM 0 H VAL A 67 -2.725 -7.529 7.839 1.00 0.71 H new ATOM 0 HA VAL A 67 -3.683 -5.468 5.995 1.00 0.79 H new ATOM 0 HB VAL A 67 -0.778 -5.825 6.835 1.00 1.12 H new ATOM 0 HG11 VAL A 67 -0.292 -4.013 5.240 1.00 1.59 H new ATOM 0 HG12 VAL A 67 -0.959 -5.451 4.429 1.00 1.59 H new ATOM 0 HG13 VAL A 67 -1.992 -4.029 4.712 1.00 1.59 H new ATOM 0 HG21 VAL A 67 -0.940 -3.475 7.560 1.00 1.51 H new ATOM 0 HG22 VAL A 67 -2.669 -3.469 7.137 1.00 1.51 H new ATOM 0 HG23 VAL A 67 -2.076 -4.520 8.445 1.00 1.51 H new ATOM 856 N LEU A 68 -3.635 -7.592 4.593 1.00 0.86 N ATOM 857 CA LEU A 68 -3.512 -8.621 3.570 1.00 0.89 C ATOM 858 C LEU A 68 -3.310 -7.995 2.195 1.00 0.81 C ATOM 859 O LEU A 68 -4.024 -7.068 1.812 1.00 0.75 O ATOM 860 CB LEU A 68 -4.755 -9.514 3.563 1.00 0.99 C ATOM 861 CG LEU A 68 -4.803 -10.558 2.444 1.00 1.22 C ATOM 862 CD1 LEU A 68 -4.295 -11.902 2.945 1.00 2.06 C ATOM 863 CD2 LEU A 68 -6.218 -10.692 1.900 1.00 1.10 C ATOM 0 H LEU A 68 -4.582 -7.236 4.723 1.00 0.86 H new ATOM 0 HA LEU A 68 -2.639 -9.231 3.803 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -4.818 -10.029 4.521 1.00 0.99 H new ATOM 0 HB3 LEU A 68 -5.638 -8.880 3.484 1.00 0.99 H new ATOM 0 HG LEU A 68 -4.153 -10.225 1.635 1.00 1.22 H new ATOM 0 HD11 LEU A 68 -4.337 -12.631 2.136 1.00 2.06 H new ATOM 0 HD12 LEU A 68 -3.265 -11.797 3.287 1.00 2.06 H new ATOM 0 HD13 LEU A 68 -4.919 -12.241 3.772 1.00 2.06 H new ATOM 0 HD21 LEU A 68 -6.233 -11.438 1.106 1.00 1.10 H new ATOM 0 HD22 LEU A 68 -6.888 -11.002 2.702 1.00 1.10 H new ATOM 0 HD23 LEU A 68 -6.547 -9.732 1.502 1.00 1.10 H new ATOM 869 N SER A 69 -2.334 -8.508 1.455 1.00 0.96 N ATOM 870 CA SER A 69 -2.039 -8.000 0.122 1.00 0.97 C ATOM 871 C SER A 69 -1.942 -9.143 -0.881 1.00 0.86 C ATOM 872 O SER A 69 -1.774 -10.302 -0.502 1.00 0.89 O ATOM 873 CB SER A 69 -0.735 -7.202 0.133 1.00 1.18 C ATOM 874 OG SER A 69 -0.490 -6.642 1.412 1.00 1.85 O ATOM 0 H SER A 69 -1.734 -9.276 1.756 1.00 0.96 H new ATOM 0 HA SER A 69 -2.854 -7.342 -0.179 1.00 0.97 H new ATOM 0 HB2 SER A 69 0.094 -7.851 -0.148 1.00 1.18 H new ATOM 0 HB3 SER A 69 -0.785 -6.408 -0.612 1.00 1.18 H new ATOM 0 HG SER A 69 0.458 -6.406 1.489 1.00 1.85 H new ATOM 880 N PHE A 70 -2.052 -8.811 -2.163 1.00 0.81 N ATOM 881 CA PHE A 70 -1.978 -9.814 -3.217 1.00 0.82 C ATOM 882 C PHE A 70 -0.778 -9.559 -4.128 1.00 0.91 C ATOM 883 O PHE A 70 -0.810 -8.665 -4.975 1.00 1.03 O ATOM 884 CB PHE A 70 -3.270 -9.817 -4.037 1.00 0.89 C ATOM 885 CG PHE A 70 -4.483 -10.203 -3.237 1.00 0.96 C ATOM 886 CD1 PHE A 70 -4.992 -9.351 -2.271 1.00 1.81 C ATOM 887 CD2 PHE A 70 -5.113 -11.420 -3.451 1.00 1.16 C ATOM 888 CE1 PHE A 70 -6.106 -9.703 -1.533 1.00 2.03 C ATOM 889 CE2 PHE A 70 -6.228 -11.777 -2.715 1.00 1.33 C ATOM 890 CZ PHE A 70 -6.725 -10.918 -1.755 1.00 1.48 C ATOM 0 H PHE A 70 -2.192 -7.857 -2.496 1.00 0.81 H new ATOM 0 HA PHE A 70 -1.852 -10.791 -2.749 1.00 0.82 H new ATOM 0 HB2 PHE A 70 -3.424 -8.825 -4.462 1.00 0.89 H new ATOM 0 HB3 PHE A 70 -3.160 -10.508 -4.873 1.00 0.89 H new ATOM 0 HD1 PHE A 70 -4.512 -8.400 -2.092 1.00 1.81 H new ATOM 0 HD2 PHE A 70 -4.729 -12.096 -4.200 1.00 1.16 H new ATOM 0 HE1 PHE A 70 -6.493 -9.029 -0.783 1.00 2.03 H new ATOM 0 HE2 PHE A 70 -6.710 -12.727 -2.891 1.00 1.33 H new ATOM 0 HZ PHE A 70 -7.596 -11.195 -1.179 1.00 1.48 H new ATOM 900 N PRO A 71 0.304 -10.344 -3.963 1.00 0.95 N ATOM 901 CA PRO A 71 1.517 -10.197 -4.772 1.00 1.11 C ATOM 902 C PRO A 71 1.330 -10.717 -6.194 1.00 1.11 C ATOM 903 O PRO A 71 0.429 -11.512 -6.460 1.00 1.14 O ATOM 904 CB PRO A 71 2.543 -11.048 -4.025 1.00 1.18 C ATOM 905 CG PRO A 71 1.736 -12.089 -3.332 1.00 1.13 C ATOM 906 CD PRO A 71 0.430 -11.432 -2.973 1.00 0.95 C ATOM 0 HA PRO A 71 1.809 -9.153 -4.886 1.00 1.11 H new ATOM 0 HB2 PRO A 71 3.262 -11.496 -4.712 1.00 1.18 H new ATOM 0 HB3 PRO A 71 3.112 -10.449 -3.314 1.00 1.18 H new ATOM 0 HG2 PRO A 71 1.574 -12.951 -3.979 1.00 1.13 H new ATOM 0 HG3 PRO A 71 2.249 -12.451 -2.441 1.00 1.13 H new ATOM 0 HD2 PRO A 71 -0.403 -12.132 -3.039 1.00 0.95 H new ATOM 0 HD3 PRO A 71 0.442 -11.047 -1.953 1.00 0.95 H new ATOM 914 N PHE A 72 2.189 -10.267 -7.103 1.00 1.22 N ATOM 915 CA PHE A 72 2.117 -10.692 -8.496 1.00 1.28 C ATOM 916 C PHE A 72 2.879 -12.002 -8.699 1.00 1.36 C ATOM 917 O PHE A 72 3.469 -12.538 -7.762 1.00 1.47 O ATOM 918 CB PHE A 72 2.669 -9.595 -9.418 1.00 1.36 C ATOM 919 CG PHE A 72 4.143 -9.708 -9.698 1.00 1.05 C ATOM 920 CD1 PHE A 72 5.054 -9.799 -8.658 1.00 1.65 C ATOM 921 CD2 PHE A 72 4.613 -9.733 -11.001 1.00 1.38 C ATOM 922 CE1 PHE A 72 6.408 -9.910 -8.913 1.00 1.83 C ATOM 923 CE2 PHE A 72 5.965 -9.846 -11.262 1.00 1.46 C ATOM 924 CZ PHE A 72 6.864 -9.934 -10.217 1.00 1.39 C ATOM 0 H PHE A 72 2.942 -9.609 -6.900 1.00 1.22 H new ATOM 0 HA PHE A 72 1.072 -10.864 -8.752 1.00 1.28 H new ATOM 0 HB2 PHE A 72 2.128 -9.625 -10.364 1.00 1.36 H new ATOM 0 HB3 PHE A 72 2.470 -8.623 -8.967 1.00 1.36 H new ATOM 0 HD1 PHE A 72 4.702 -9.783 -7.637 1.00 1.65 H new ATOM 0 HD2 PHE A 72 3.915 -9.663 -11.822 1.00 1.38 H new ATOM 0 HE1 PHE A 72 7.109 -9.978 -8.094 1.00 1.83 H new ATOM 0 HE2 PHE A 72 6.319 -9.866 -12.282 1.00 1.46 H new ATOM 0 HZ PHE A 72 7.921 -10.021 -10.419 1.00 1.39 H new ATOM 934 N GLU A 73 2.863 -12.508 -9.928 1.00 1.56 N ATOM 935 CA GLU A 73 3.555 -13.752 -10.252 1.00 1.67 C ATOM 936 C GLU A 73 5.038 -13.656 -9.904 1.00 1.31 C ATOM 937 O GLU A 73 5.761 -12.824 -10.451 1.00 1.43 O ATOM 938 CB GLU A 73 3.388 -14.081 -11.737 1.00 2.21 C ATOM 939 CG GLU A 73 3.526 -15.561 -12.052 1.00 2.25 C ATOM 940 CD GLU A 73 2.753 -15.967 -13.292 1.00 2.36 C ATOM 941 OE1 GLU A 73 1.505 -15.971 -13.238 1.00 2.62 O ATOM 942 OE2 GLU A 73 3.395 -16.282 -14.316 1.00 2.89 O ATOM 0 H GLU A 73 2.379 -12.077 -10.716 1.00 1.56 H new ATOM 0 HA GLU A 73 3.112 -14.551 -9.658 1.00 1.67 H new ATOM 0 HB2 GLU A 73 2.408 -13.737 -12.069 1.00 2.21 H new ATOM 0 HB3 GLU A 73 4.131 -13.526 -12.309 1.00 2.21 H new ATOM 0 HG2 GLU A 73 4.580 -15.803 -12.190 1.00 2.25 H new ATOM 0 HG3 GLU A 73 3.174 -16.144 -11.201 1.00 2.25 H new ATOM 949 N CYS A 74 5.485 -14.511 -8.988 1.00 1.48 N ATOM 950 CA CYS A 74 6.881 -14.518 -8.566 1.00 1.68 C ATOM 951 C CYS A 74 7.604 -15.763 -9.077 1.00 1.76 C ATOM 952 O CYS A 74 7.943 -16.658 -8.303 1.00 2.31 O ATOM 953 CB CYS A 74 6.974 -14.448 -7.040 1.00 2.63 C ATOM 954 SG CYS A 74 8.666 -14.420 -6.404 1.00 3.95 S ATOM 0 H CYS A 74 4.901 -15.207 -8.525 1.00 1.48 H new ATOM 0 HA CYS A 74 7.366 -13.641 -8.994 1.00 1.68 H new ATOM 0 HB2 CYS A 74 6.453 -13.555 -6.696 1.00 2.63 H new ATOM 0 HB3 CYS A 74 6.452 -15.305 -6.615 1.00 2.63 H new ATOM 0 HG CYS A 74 9.324 -15.436 -6.877 1.00 3.95 H new ATOM 960 N PRO A 75 7.852 -15.833 -10.396 1.00 1.68 N ATOM 961 CA PRO A 75 8.540 -16.973 -11.012 1.00 2.01 C ATOM 962 C PRO A 75 9.954 -17.165 -10.464 1.00 2.43 C ATOM 963 O PRO A 75 10.181 -18.009 -9.598 1.00 3.08 O ATOM 964 CB PRO A 75 8.575 -16.619 -12.506 1.00 2.13 C ATOM 965 CG PRO A 75 8.348 -15.146 -12.566 1.00 2.21 C ATOM 966 CD PRO A 75 7.482 -14.809 -11.386 1.00 1.89 C ATOM 0 HA PRO A 75 8.029 -17.913 -10.805 1.00 2.01 H new ATOM 0 HB2 PRO A 75 9.533 -16.888 -12.952 1.00 2.13 H new ATOM 0 HB3 PRO A 75 7.804 -17.159 -13.056 1.00 2.13 H new ATOM 0 HG2 PRO A 75 9.293 -14.604 -12.523 1.00 2.21 H new ATOM 0 HG3 PRO A 75 7.861 -14.865 -13.500 1.00 2.21 H new ATOM 0 HD2 PRO A 75 7.678 -13.802 -11.017 1.00 1.89 H new ATOM 0 HD3 PRO A 75 6.422 -14.856 -11.637 1.00 1.89 H new ATOM 974 N ASP A 76 10.902 -16.379 -10.971 1.00 2.55 N ATOM 975 CA ASP A 76 12.289 -16.470 -10.526 1.00 3.28 C ATOM 976 C ASP A 76 12.765 -15.140 -9.949 1.00 3.54 C ATOM 977 O ASP A 76 12.813 -14.961 -8.733 1.00 4.33 O ATOM 978 CB ASP A 76 13.195 -16.891 -11.685 1.00 3.70 C ATOM 979 CG ASP A 76 13.396 -18.393 -11.745 1.00 4.37 C ATOM 980 OD1 ASP A 76 13.565 -19.013 -10.674 1.00 4.70 O ATOM 981 OD2 ASP A 76 13.384 -18.950 -12.864 1.00 4.93 O ATOM 0 H ASP A 76 10.734 -15.674 -11.689 1.00 2.55 H new ATOM 0 HA ASP A 76 12.342 -17.225 -9.742 1.00 3.28 H new ATOM 0 HB2 ASP A 76 12.762 -16.547 -12.624 1.00 3.70 H new ATOM 0 HB3 ASP A 76 14.163 -16.401 -11.582 1.00 3.70 H new ATOM 986 N GLU A 77 13.117 -14.211 -10.832 1.00 3.34 N ATOM 987 CA GLU A 77 13.591 -12.898 -10.414 1.00 4.10 C ATOM 988 C GLU A 77 12.762 -11.792 -11.057 1.00 4.12 C ATOM 989 O GLU A 77 12.353 -10.843 -10.388 1.00 4.72 O ATOM 990 CB GLU A 77 15.067 -12.726 -10.779 1.00 4.59 C ATOM 991 CG GLU A 77 16.020 -13.191 -9.690 1.00 5.37 C ATOM 992 CD GLU A 77 16.719 -14.490 -10.041 1.00 6.17 C ATOM 993 OE1 GLU A 77 16.151 -15.276 -10.828 1.00 6.39 O ATOM 994 OE2 GLU A 77 17.834 -14.722 -9.528 1.00 6.84 O ATOM 0 H GLU A 77 13.083 -14.344 -11.843 1.00 3.34 H new ATOM 0 HA GLU A 77 13.482 -12.826 -9.332 1.00 4.10 H new ATOM 0 HB2 GLU A 77 15.274 -13.282 -11.693 1.00 4.59 H new ATOM 0 HB3 GLU A 77 15.260 -11.675 -10.995 1.00 4.59 H new ATOM 0 HG2 GLU A 77 16.767 -12.418 -9.512 1.00 5.37 H new ATOM 0 HG3 GLU A 77 15.467 -13.320 -8.760 1.00 5.37 H new ATOM 1001 N VAL A 78 12.517 -11.928 -12.358 1.00 3.88 N ATOM 1002 CA VAL A 78 11.731 -10.952 -13.118 1.00 4.32 C ATOM 1003 C VAL A 78 12.081 -9.514 -12.734 1.00 4.59 C ATOM 1004 O VAL A 78 11.590 -8.988 -11.736 1.00 4.66 O ATOM 1005 CB VAL A 78 10.216 -11.174 -12.933 1.00 4.22 C ATOM 1006 CG1 VAL A 78 9.744 -12.347 -13.778 1.00 3.62 C ATOM 1007 CG2 VAL A 78 9.870 -11.392 -11.468 1.00 4.61 C ATOM 0 H VAL A 78 12.855 -12.713 -12.915 1.00 3.88 H new ATOM 0 HA VAL A 78 11.987 -11.106 -14.166 1.00 4.32 H new ATOM 0 HB VAL A 78 9.698 -10.276 -13.268 1.00 4.22 H new ATOM 0 HG11 VAL A 78 8.673 -12.490 -13.636 1.00 3.62 H new ATOM 0 HG12 VAL A 78 9.946 -12.143 -14.829 1.00 3.62 H new ATOM 0 HG13 VAL A 78 10.274 -13.250 -13.475 1.00 3.62 H new ATOM 0 HG21 VAL A 78 8.796 -11.546 -11.367 1.00 4.61 H new ATOM 0 HG22 VAL A 78 10.399 -12.269 -11.096 1.00 4.61 H new ATOM 0 HG23 VAL A 78 10.167 -10.517 -10.890 1.00 4.61 H new ATOM 1011 N GLU A 79 12.935 -8.887 -13.538 1.00 5.02 N ATOM 1012 CA GLU A 79 13.359 -7.514 -13.289 1.00 5.37 C ATOM 1013 C GLU A 79 12.381 -6.514 -13.898 1.00 4.83 C ATOM 1014 O GLU A 79 12.405 -6.261 -15.103 1.00 5.25 O ATOM 1015 CB GLU A 79 14.760 -7.282 -13.862 1.00 6.47 C ATOM 1016 CG GLU A 79 15.875 -7.518 -12.857 1.00 7.05 C ATOM 1017 CD GLU A 79 17.253 -7.412 -13.481 1.00 7.91 C ATOM 1018 OE1 GLU A 79 17.388 -7.736 -14.680 1.00 8.58 O ATOM 1019 OE2 GLU A 79 18.196 -7.003 -12.772 1.00 8.13 O ATOM 0 H GLU A 79 13.348 -9.310 -14.369 1.00 5.02 H new ATOM 0 HA GLU A 79 13.378 -7.360 -12.210 1.00 5.37 H new ATOM 0 HB2 GLU A 79 14.907 -7.942 -14.717 1.00 6.47 H new ATOM 0 HB3 GLU A 79 14.827 -6.259 -14.233 1.00 6.47 H new ATOM 0 HG2 GLU A 79 15.790 -6.793 -12.048 1.00 7.05 H new ATOM 0 HG3 GLU A 79 15.756 -8.506 -12.413 1.00 7.05 H new ATOM 1026 N LEU A 80 11.528 -5.943 -13.055 1.00 4.12 N ATOM 1027 CA LEU A 80 10.546 -4.962 -13.506 1.00 3.69 C ATOM 1028 C LEU A 80 9.906 -4.245 -12.317 1.00 3.19 C ATOM 1029 O LEU A 80 9.642 -4.860 -11.285 1.00 2.62 O ATOM 1030 CB LEU A 80 9.464 -5.638 -14.350 1.00 3.48 C ATOM 1031 CG LEU A 80 8.529 -6.572 -13.579 1.00 3.52 C ATOM 1032 CD1 LEU A 80 7.187 -6.685 -14.286 1.00 4.01 C ATOM 1033 CD2 LEU A 80 9.167 -7.942 -13.417 1.00 3.62 C ATOM 0 H LEU A 80 11.496 -6.142 -12.055 1.00 4.12 H new ATOM 0 HA LEU A 80 11.064 -4.224 -14.118 1.00 3.69 H new ATOM 0 HB2 LEU A 80 8.865 -4.865 -14.831 1.00 3.48 H new ATOM 0 HB3 LEU A 80 9.947 -6.207 -15.144 1.00 3.48 H new ATOM 0 HG LEU A 80 8.358 -6.152 -12.588 1.00 3.52 H new ATOM 0 HD11 LEU A 80 6.535 -7.353 -13.724 1.00 4.01 H new ATOM 0 HD12 LEU A 80 6.727 -5.699 -14.352 1.00 4.01 H new ATOM 0 HD13 LEU A 80 7.337 -7.084 -15.289 1.00 4.01 H new ATOM 0 HD21 LEU A 80 8.490 -8.596 -12.867 1.00 3.62 H new ATOM 0 HD22 LEU A 80 9.365 -8.370 -14.400 1.00 3.62 H new ATOM 0 HD23 LEU A 80 10.104 -7.845 -12.868 1.00 3.62 H new ATOM 1039 N PRO A 81 9.644 -2.931 -12.445 1.00 3.80 N ATOM 1040 CA PRO A 81 9.030 -2.141 -11.373 1.00 3.74 C ATOM 1041 C PRO A 81 7.592 -2.570 -11.094 1.00 2.98 C ATOM 1042 O PRO A 81 6.761 -2.614 -12.001 1.00 3.21 O ATOM 1043 CB PRO A 81 9.061 -0.701 -11.908 1.00 4.99 C ATOM 1044 CG PRO A 81 9.999 -0.724 -13.068 1.00 5.53 C ATOM 1045 CD PRO A 81 9.923 -2.111 -13.633 1.00 4.94 C ATOM 0 HA PRO A 81 9.560 -2.265 -10.429 1.00 3.74 H new ATOM 0 HB2 PRO A 81 8.067 -0.375 -12.214 1.00 4.99 H new ATOM 0 HB3 PRO A 81 9.402 -0.005 -11.141 1.00 4.99 H new ATOM 0 HG2 PRO A 81 9.715 0.018 -13.815 1.00 5.53 H new ATOM 0 HG3 PRO A 81 11.015 -0.486 -12.753 1.00 5.53 H new ATOM 0 HD2 PRO A 81 9.135 -2.201 -14.381 1.00 4.94 H new ATOM 0 HD3 PRO A 81 10.856 -2.403 -14.116 1.00 4.94 H new ATOM 1053 N LEU A 82 7.304 -2.884 -9.834 1.00 2.52 N ATOM 1054 CA LEU A 82 5.963 -3.308 -9.440 1.00 1.87 C ATOM 1055 C LEU A 82 5.835 -3.385 -7.924 1.00 1.58 C ATOM 1056 O LEU A 82 6.825 -3.553 -7.212 1.00 2.06 O ATOM 1057 CB LEU A 82 5.634 -4.674 -10.043 1.00 1.92 C ATOM 1058 CG LEU A 82 6.786 -5.675 -10.030 1.00 1.91 C ATOM 1059 CD1 LEU A 82 7.362 -5.820 -8.630 1.00 2.25 C ATOM 1060 CD2 LEU A 82 6.322 -7.020 -10.556 1.00 2.10 C ATOM 0 H LEU A 82 7.979 -2.853 -9.070 1.00 2.52 H new ATOM 0 HA LEU A 82 5.260 -2.565 -9.816 1.00 1.87 H new ATOM 0 HB2 LEU A 82 4.793 -5.103 -9.498 1.00 1.92 H new ATOM 0 HB3 LEU A 82 5.307 -4.531 -11.073 1.00 1.92 H new ATOM 0 HG LEU A 82 7.573 -5.298 -10.683 1.00 1.91 H new ATOM 0 HD11 LEU A 82 8.181 -6.539 -8.646 1.00 2.25 H new ATOM 0 HD12 LEU A 82 7.733 -4.854 -8.287 1.00 2.25 H new ATOM 0 HD13 LEU A 82 6.585 -6.171 -7.951 1.00 2.25 H new ATOM 0 HD21 LEU A 82 7.154 -7.723 -10.541 1.00 2.10 H new ATOM 0 HD22 LEU A 82 5.516 -7.398 -9.927 1.00 2.10 H new ATOM 0 HD23 LEU A 82 5.962 -6.906 -11.578 1.00 2.10 H new ATOM 1066 N LEU A 83 4.606 -3.271 -7.441 1.00 1.15 N ATOM 1067 CA LEU A 83 4.339 -3.338 -6.010 1.00 1.18 C ATOM 1068 C LEU A 83 3.273 -4.390 -5.696 1.00 1.05 C ATOM 1069 O LEU A 83 3.227 -4.926 -4.589 1.00 1.39 O ATOM 1070 CB LEU A 83 3.907 -1.967 -5.486 1.00 1.20 C ATOM 1071 CG LEU A 83 4.817 -1.368 -4.410 1.00 2.03 C ATOM 1072 CD1 LEU A 83 5.137 -2.403 -3.342 1.00 3.13 C ATOM 1073 CD2 LEU A 83 6.095 -0.831 -5.035 1.00 2.48 C ATOM 0 H LEU A 83 3.777 -3.132 -8.019 1.00 1.15 H new ATOM 0 HA LEU A 83 5.260 -3.633 -5.507 1.00 1.18 H new ATOM 0 HB2 LEU A 83 3.857 -1.273 -6.325 1.00 1.20 H new ATOM 0 HB3 LEU A 83 2.898 -2.051 -5.082 1.00 1.20 H new ATOM 0 HG LEU A 83 4.291 -0.540 -3.935 1.00 2.03 H new ATOM 0 HD11 LEU A 83 5.785 -1.958 -2.587 1.00 3.13 H new ATOM 0 HD12 LEU A 83 4.212 -2.741 -2.874 1.00 3.13 H new ATOM 0 HD13 LEU A 83 5.644 -3.253 -3.799 1.00 3.13 H new ATOM 0 HD21 LEU A 83 6.731 -0.409 -4.257 1.00 2.48 H new ATOM 0 HD22 LEU A 83 6.624 -1.642 -5.535 1.00 2.48 H new ATOM 0 HD23 LEU A 83 5.847 -0.057 -5.761 1.00 2.48 H new ATOM 1079 N GLY A 84 2.423 -4.688 -6.678 1.00 0.86 N ATOM 1080 CA GLY A 84 1.379 -5.680 -6.479 1.00 1.17 C ATOM 1081 C GLY A 84 0.106 -5.093 -5.894 1.00 1.02 C ATOM 1082 O GLY A 84 -0.055 -3.873 -5.837 1.00 0.95 O ATOM 0 H GLY A 84 2.439 -4.262 -7.604 1.00 0.86 H new ATOM 0 HA2 GLY A 84 1.149 -6.154 -7.433 1.00 1.17 H new ATOM 0 HA3 GLY A 84 1.750 -6.462 -5.816 1.00 1.17 H new ATOM 1086 N ASP A 85 -0.801 -5.967 -5.461 1.00 1.00 N ATOM 1087 CA ASP A 85 -2.069 -5.535 -4.878 1.00 0.88 C ATOM 1088 C ASP A 85 -1.991 -5.522 -3.354 1.00 0.82 C ATOM 1089 O ASP A 85 -1.220 -6.274 -2.757 1.00 0.93 O ATOM 1090 CB ASP A 85 -3.205 -6.454 -5.338 1.00 0.86 C ATOM 1091 CG ASP A 85 -4.204 -5.737 -6.225 1.00 1.49 C ATOM 1092 OD1 ASP A 85 -3.824 -5.336 -7.345 1.00 2.17 O ATOM 1093 OD2 ASP A 85 -5.368 -5.577 -5.799 1.00 2.12 O ATOM 0 H ASP A 85 -0.681 -6.979 -5.503 1.00 1.00 H new ATOM 0 HA ASP A 85 -2.272 -4.520 -5.220 1.00 0.88 H new ATOM 0 HB2 ASP A 85 -2.786 -7.302 -5.879 1.00 0.86 H new ATOM 0 HB3 ASP A 85 -3.720 -6.855 -4.465 1.00 0.86 H new ATOM 1098 N LEU A 86 -2.792 -4.661 -2.730 1.00 0.73 N ATOM 1099 CA LEU A 86 -2.806 -4.550 -1.275 1.00 0.69 C ATOM 1100 C LEU A 86 -4.229 -4.402 -0.740 1.00 0.60 C ATOM 1101 O LEU A 86 -5.107 -3.866 -1.415 1.00 0.71 O ATOM 1102 CB LEU A 86 -1.954 -3.358 -0.830 1.00 0.82 C ATOM 1103 CG LEU A 86 -0.985 -3.644 0.319 1.00 0.94 C ATOM 1104 CD1 LEU A 86 0.303 -4.253 -0.209 1.00 1.41 C ATOM 1105 CD2 LEU A 86 -0.690 -2.372 1.100 1.00 1.10 C ATOM 0 H LEU A 86 -3.437 -4.032 -3.208 1.00 0.73 H new ATOM 0 HA LEU A 86 -2.386 -5.469 -0.866 1.00 0.69 H new ATOM 0 HB2 LEU A 86 -1.382 -3.001 -1.686 1.00 0.82 H new ATOM 0 HB3 LEU A 86 -2.619 -2.548 -0.530 1.00 0.82 H new ATOM 0 HG LEU A 86 -1.455 -4.360 0.993 1.00 0.94 H new ATOM 0 HD11 LEU A 86 0.980 -4.450 0.622 1.00 1.41 H new ATOM 0 HD12 LEU A 86 0.079 -5.187 -0.724 1.00 1.41 H new ATOM 0 HD13 LEU A 86 0.775 -3.559 -0.905 1.00 1.41 H new ATOM 0 HD21 LEU A 86 0.001 -2.596 1.913 1.00 1.10 H new ATOM 0 HD22 LEU A 86 -0.242 -1.633 0.436 1.00 1.10 H new ATOM 0 HD23 LEU A 86 -1.618 -1.974 1.512 1.00 1.10 H new ATOM 1111 N VAL A 87 -4.441 -4.875 0.486 1.00 0.56 N ATOM 1112 CA VAL A 87 -5.747 -4.794 1.132 1.00 0.59 C ATOM 1113 C VAL A 87 -5.584 -4.584 2.633 1.00 0.66 C ATOM 1114 O VAL A 87 -5.156 -5.488 3.350 1.00 0.94 O ATOM 1115 CB VAL A 87 -6.587 -6.065 0.892 1.00 0.63 C ATOM 1116 CG1 VAL A 87 -8.051 -5.803 1.211 1.00 1.15 C ATOM 1117 CG2 VAL A 87 -6.426 -6.554 -0.540 1.00 1.15 C ATOM 0 H VAL A 87 -3.720 -5.321 1.054 1.00 0.56 H new ATOM 0 HA VAL A 87 -6.270 -3.946 0.690 1.00 0.59 H new ATOM 0 HB VAL A 87 -6.225 -6.847 1.559 1.00 0.63 H new ATOM 0 HG11 VAL A 87 -8.629 -6.710 1.036 1.00 1.15 H new ATOM 0 HG12 VAL A 87 -8.148 -5.506 2.255 1.00 1.15 H new ATOM 0 HG13 VAL A 87 -8.426 -5.005 0.570 1.00 1.15 H new ATOM 0 HG21 VAL A 87 -7.027 -7.451 -0.688 1.00 1.15 H new ATOM 0 HG22 VAL A 87 -6.758 -5.777 -1.229 1.00 1.15 H new ATOM 0 HG23 VAL A 87 -5.378 -6.784 -0.730 1.00 1.15 H new ATOM 1121 N ILE A 88 -5.912 -3.385 3.105 1.00 0.57 N ATOM 1122 CA ILE A 88 -5.778 -3.071 4.525 1.00 0.66 C ATOM 1123 C ILE A 88 -7.045 -2.440 5.090 1.00 0.74 C ATOM 1124 O ILE A 88 -7.880 -1.921 4.349 1.00 0.96 O ATOM 1125 CB ILE A 88 -4.596 -2.114 4.774 1.00 0.67 C ATOM 1126 CG1 ILE A 88 -3.356 -2.587 4.013 1.00 1.15 C ATOM 1127 CG2 ILE A 88 -4.303 -2.008 6.263 1.00 1.30 C ATOM 1128 CD1 ILE A 88 -3.006 -1.712 2.830 1.00 1.94 C ATOM 0 H ILE A 88 -6.269 -2.621 2.532 1.00 0.57 H new ATOM 0 HA ILE A 88 -5.598 -4.018 5.033 1.00 0.66 H new ATOM 0 HB ILE A 88 -4.868 -1.124 4.406 1.00 0.67 H new ATOM 0 HG12 ILE A 88 -2.508 -2.616 4.697 1.00 1.15 H new ATOM 0 HG13 ILE A 88 -3.520 -3.607 3.665 1.00 1.15 H new ATOM 0 HG21 ILE A 88 -3.466 -1.328 6.422 1.00 1.30 H new ATOM 0 HG22 ILE A 88 -5.183 -1.626 6.781 1.00 1.30 H new ATOM 0 HG23 ILE A 88 -4.050 -2.993 6.655 1.00 1.30 H new ATOM 0 HD11 ILE A 88 -2.117 -2.105 2.337 1.00 1.94 H new ATOM 0 HD12 ILE A 88 -3.838 -1.703 2.126 1.00 1.94 H new ATOM 0 HD13 ILE A 88 -2.810 -0.696 3.174 1.00 1.94 H new ATOM 1132 N CYS A 89 -7.176 -2.484 6.413 1.00 0.79 N ATOM 1133 CA CYS A 89 -8.333 -1.913 7.089 1.00 0.89 C ATOM 1134 C CYS A 89 -8.063 -0.465 7.486 1.00 0.78 C ATOM 1135 O CYS A 89 -6.948 -0.116 7.876 1.00 0.73 O ATOM 1136 CB CYS A 89 -8.687 -2.740 8.326 1.00 1.12 C ATOM 1137 SG CYS A 89 -8.692 -4.526 8.043 1.00 1.32 S ATOM 0 H CYS A 89 -6.492 -2.911 7.038 1.00 0.79 H new ATOM 0 HA CYS A 89 -9.177 -1.932 6.399 1.00 0.89 H new ATOM 0 HB2 CYS A 89 -7.975 -2.511 9.119 1.00 1.12 H new ATOM 0 HB3 CYS A 89 -9.671 -2.437 8.683 1.00 1.12 H new ATOM 0 HG CYS A 89 -7.982 -5.113 8.960 1.00 1.32 H new ATOM 1143 N ARG A 90 -9.087 0.374 7.378 1.00 0.91 N ATOM 1144 CA ARG A 90 -8.955 1.787 7.720 1.00 0.91 C ATOM 1145 C ARG A 90 -9.159 2.021 9.213 1.00 0.81 C ATOM 1146 O ARG A 90 -8.498 2.867 9.812 1.00 0.99 O ATOM 1147 CB ARG A 90 -9.958 2.628 6.923 1.00 1.14 C ATOM 1148 CG ARG A 90 -11.353 2.026 6.861 1.00 2.09 C ATOM 1149 CD ARG A 90 -12.429 3.093 6.988 1.00 2.56 C ATOM 1150 NE ARG A 90 -12.679 3.457 8.381 1.00 3.28 N ATOM 1151 CZ ARG A 90 -13.339 2.686 9.243 1.00 4.16 C ATOM 1152 NH1 ARG A 90 -13.817 1.508 8.860 1.00 4.50 N ATOM 1153 NH2 ARG A 90 -13.522 3.094 10.491 1.00 5.12 N ATOM 0 H ARG A 90 -10.016 0.102 7.057 1.00 0.91 H new ATOM 0 HA ARG A 90 -7.942 2.093 7.461 1.00 0.91 H new ATOM 0 HB2 ARG A 90 -10.021 3.621 7.369 1.00 1.14 H new ATOM 0 HB3 ARG A 90 -9.583 2.758 5.908 1.00 1.14 H new ATOM 0 HG2 ARG A 90 -11.478 1.493 5.919 1.00 2.09 H new ATOM 0 HG3 ARG A 90 -11.470 1.294 7.660 1.00 2.09 H new ATOM 0 HD2 ARG A 90 -12.128 3.980 6.430 1.00 2.56 H new ATOM 0 HD3 ARG A 90 -13.353 2.731 6.537 1.00 2.56 H new ATOM 0 HE ARG A 90 -12.327 4.355 8.713 1.00 3.28 H new ATOM 0 HH11 ARG A 90 -13.679 1.189 7.901 1.00 4.50 H new ATOM 0 HH12 ARG A 90 -14.322 0.922 9.525 1.00 4.50 H new ATOM 0 HH21 ARG A 90 -13.157 3.998 10.791 1.00 5.12 H new ATOM 0 HH22 ARG A 90 -14.028 2.504 11.152 1.00 5.12 H new ATOM 1167 N GLN A 91 -10.084 1.277 9.808 1.00 0.66 N ATOM 1168 CA GLN A 91 -10.382 1.419 11.229 1.00 0.63 C ATOM 1169 C GLN A 91 -9.137 1.214 12.089 1.00 0.58 C ATOM 1170 O GLN A 91 -8.991 1.840 13.137 1.00 0.58 O ATOM 1171 CB GLN A 91 -11.471 0.428 11.644 1.00 0.69 C ATOM 1172 CG GLN A 91 -11.130 -1.021 11.338 1.00 0.83 C ATOM 1173 CD GLN A 91 -11.663 -1.979 12.385 1.00 0.80 C ATOM 1174 OE1 GLN A 91 -11.595 -1.707 13.584 1.00 1.35 O ATOM 1175 NE2 GLN A 91 -12.198 -3.108 11.936 1.00 1.12 N ATOM 0 H GLN A 91 -10.641 0.569 9.329 1.00 0.66 H new ATOM 0 HA GLN A 91 -10.738 2.436 11.390 1.00 0.63 H new ATOM 0 HB2 GLN A 91 -11.654 0.530 12.714 1.00 0.69 H new ATOM 0 HB3 GLN A 91 -12.399 0.688 11.135 1.00 0.69 H new ATOM 0 HG2 GLN A 91 -11.539 -1.289 10.364 1.00 0.83 H new ATOM 0 HG3 GLN A 91 -10.048 -1.129 11.270 1.00 0.83 H new ATOM 0 HE21 GLN A 91 -12.233 -3.292 10.933 1.00 1.12 H new ATOM 0 HE22 GLN A 91 -12.574 -3.791 12.594 1.00 1.12 H new ATOM 1182 N VAL A 92 -8.249 0.330 11.651 1.00 0.58 N ATOM 1183 CA VAL A 92 -7.030 0.043 12.400 1.00 0.60 C ATOM 1184 C VAL A 92 -5.970 1.123 12.196 1.00 0.55 C ATOM 1185 O VAL A 92 -5.545 1.779 13.151 1.00 0.65 O ATOM 1186 CB VAL A 92 -6.437 -1.320 11.996 1.00 0.66 C ATOM 1187 CG1 VAL A 92 -5.285 -1.698 12.915 1.00 1.47 C ATOM 1188 CG2 VAL A 92 -7.515 -2.395 12.009 1.00 1.68 C ATOM 0 H VAL A 92 -8.348 -0.199 10.785 1.00 0.58 H new ATOM 0 HA VAL A 92 -7.312 0.021 13.453 1.00 0.60 H new ATOM 0 HB VAL A 92 -6.047 -1.239 10.981 1.00 0.66 H new ATOM 0 HG11 VAL A 92 -4.880 -2.664 12.613 1.00 1.47 H new ATOM 0 HG12 VAL A 92 -4.504 -0.941 12.850 1.00 1.47 H new ATOM 0 HG13 VAL A 92 -5.644 -1.761 13.942 1.00 1.47 H new ATOM 0 HG21 VAL A 92 -7.079 -3.351 11.721 1.00 1.68 H new ATOM 0 HG22 VAL A 92 -7.937 -2.475 13.011 1.00 1.68 H new ATOM 0 HG23 VAL A 92 -8.303 -2.129 11.304 1.00 1.68 H new ATOM 1192 N VAL A 93 -5.540 1.300 10.952 1.00 0.48 N ATOM 1193 CA VAL A 93 -4.521 2.293 10.634 1.00 0.49 C ATOM 1194 C VAL A 93 -4.987 3.698 11.006 1.00 0.54 C ATOM 1195 O VAL A 93 -4.225 4.485 11.568 1.00 0.61 O ATOM 1196 CB VAL A 93 -4.122 2.241 9.142 1.00 0.51 C ATOM 1197 CG1 VAL A 93 -3.987 0.796 8.681 1.00 0.55 C ATOM 1198 CG2 VAL A 93 -5.123 2.991 8.271 1.00 0.69 C ATOM 0 H VAL A 93 -5.880 0.770 10.149 1.00 0.48 H new ATOM 0 HA VAL A 93 -3.640 2.050 11.229 1.00 0.49 H new ATOM 0 HB VAL A 93 -3.157 2.736 9.035 1.00 0.51 H new ATOM 0 HG11 VAL A 93 -3.706 0.775 7.628 1.00 0.55 H new ATOM 0 HG12 VAL A 93 -3.220 0.296 9.272 1.00 0.55 H new ATOM 0 HG13 VAL A 93 -4.939 0.282 8.813 1.00 0.55 H new ATOM 0 HG21 VAL A 93 -4.812 2.934 7.228 1.00 0.69 H new ATOM 0 HG22 VAL A 93 -6.110 2.541 8.380 1.00 0.69 H new ATOM 0 HG23 VAL A 93 -5.164 4.035 8.581 1.00 0.69 H new ATOM 1202 N GLU A 94 -6.246 4.003 10.704 1.00 0.59 N ATOM 1203 CA GLU A 94 -6.805 5.310 11.027 1.00 0.69 C ATOM 1204 C GLU A 94 -6.766 5.537 12.532 1.00 0.67 C ATOM 1205 O GLU A 94 -6.529 6.652 12.997 1.00 0.75 O ATOM 1206 CB GLU A 94 -8.243 5.424 10.516 1.00 0.78 C ATOM 1207 CG GLU A 94 -8.817 6.828 10.621 1.00 1.31 C ATOM 1208 CD GLU A 94 -10.310 6.829 10.882 1.00 1.58 C ATOM 1209 OE1 GLU A 94 -11.061 6.294 10.039 1.00 2.25 O ATOM 1210 OE2 GLU A 94 -10.729 7.364 11.930 1.00 1.98 O ATOM 0 H GLU A 94 -6.894 3.367 10.239 1.00 0.59 H new ATOM 0 HA GLU A 94 -6.203 6.074 10.535 1.00 0.69 H new ATOM 0 HB2 GLU A 94 -8.276 5.104 9.475 1.00 0.78 H new ATOM 0 HB3 GLU A 94 -8.876 4.739 11.080 1.00 0.78 H new ATOM 0 HG2 GLU A 94 -8.311 7.364 11.424 1.00 1.31 H new ATOM 0 HG3 GLU A 94 -8.613 7.370 9.698 1.00 1.31 H new ATOM 1217 N ARG A 95 -6.985 4.465 13.290 1.00 0.59 N ATOM 1218 CA ARG A 95 -6.958 4.549 14.745 1.00 0.61 C ATOM 1219 C ARG A 95 -5.525 4.714 15.231 1.00 0.70 C ATOM 1220 O ARG A 95 -5.251 5.501 16.137 1.00 0.77 O ATOM 1221 CB ARG A 95 -7.585 3.303 15.373 1.00 0.60 C ATOM 1222 CG ARG A 95 -7.996 3.495 16.824 1.00 0.87 C ATOM 1223 CD ARG A 95 -9.421 4.015 16.936 1.00 1.58 C ATOM 1224 NE ARG A 95 -10.262 3.139 17.748 1.00 2.18 N ATOM 1225 CZ ARG A 95 -10.299 3.169 19.079 1.00 2.92 C ATOM 1226 NH1 ARG A 95 -9.542 4.026 19.753 1.00 3.31 N ATOM 1227 NH2 ARG A 95 -11.095 2.338 19.737 1.00 3.75 N ATOM 0 H ARG A 95 -7.182 3.534 12.922 1.00 0.59 H new ATOM 0 HA ARG A 95 -7.541 5.418 15.050 1.00 0.61 H new ATOM 0 HB2 ARG A 95 -8.460 3.014 14.791 1.00 0.60 H new ATOM 0 HB3 ARG A 95 -6.875 2.478 15.311 1.00 0.60 H new ATOM 0 HG2 ARG A 95 -7.911 2.547 17.356 1.00 0.87 H new ATOM 0 HG3 ARG A 95 -7.313 4.194 17.307 1.00 0.87 H new ATOM 0 HD2 ARG A 95 -9.409 5.013 17.373 1.00 1.58 H new ATOM 0 HD3 ARG A 95 -9.852 4.109 15.939 1.00 1.58 H new ATOM 0 HE ARG A 95 -10.856 2.464 17.267 1.00 2.18 H new ATOM 0 HH11 ARG A 95 -8.927 4.667 19.252 1.00 3.31 H new ATOM 0 HH12 ARG A 95 -9.575 4.044 20.772 1.00 3.31 H new ATOM 0 HH21 ARG A 95 -11.678 1.677 19.224 1.00 3.75 H new ATOM 0 HH22 ARG A 95 -11.124 2.360 20.756 1.00 3.75 H new ATOM 1241 N GLU A 96 -4.609 3.976 14.609 1.00 0.73 N ATOM 1242 CA GLU A 96 -3.200 4.057 14.968 1.00 0.86 C ATOM 1243 C GLU A 96 -2.668 5.457 14.680 1.00 0.90 C ATOM 1244 O GLU A 96 -2.049 6.090 15.538 1.00 1.05 O ATOM 1245 CB GLU A 96 -2.390 3.012 14.195 1.00 0.93 C ATOM 1246 CG GLU A 96 -1.663 2.022 15.090 1.00 1.34 C ATOM 1247 CD GLU A 96 -0.159 2.216 15.076 1.00 1.68 C ATOM 1248 OE1 GLU A 96 0.496 1.710 14.140 1.00 2.50 O ATOM 1249 OE2 GLU A 96 0.363 2.875 15.999 1.00 1.89 O ATOM 0 H GLU A 96 -4.818 3.319 13.858 1.00 0.73 H new ATOM 0 HA GLU A 96 -3.098 3.853 16.034 1.00 0.86 H new ATOM 0 HB2 GLU A 96 -3.059 2.465 13.530 1.00 0.93 H new ATOM 0 HB3 GLU A 96 -1.662 3.522 13.565 1.00 0.93 H new ATOM 0 HG2 GLU A 96 -2.029 2.125 16.111 1.00 1.34 H new ATOM 0 HG3 GLU A 96 -1.897 1.007 14.768 1.00 1.34 H new ATOM 1256 N ALA A 97 -2.927 5.939 13.468 1.00 0.83 N ATOM 1257 CA ALA A 97 -2.489 7.268 13.064 1.00 0.92 C ATOM 1258 C ALA A 97 -3.205 8.338 13.880 1.00 1.00 C ATOM 1259 O ALA A 97 -2.587 9.293 14.350 1.00 1.19 O ATOM 1260 CB ALA A 97 -2.737 7.479 11.578 1.00 0.87 C ATOM 0 H ALA A 97 -3.439 5.427 12.749 1.00 0.83 H new ATOM 0 HA ALA A 97 -1.419 7.350 13.252 1.00 0.92 H new ATOM 0 HB1 ALA A 97 -2.404 8.477 11.292 1.00 0.87 H new ATOM 0 HB2 ALA A 97 -2.183 6.734 11.007 1.00 0.87 H new ATOM 0 HB3 ALA A 97 -3.802 7.378 11.369 1.00 0.87 H new ATOM 1266 N SER A 98 -4.513 8.166 14.051 1.00 0.92 N ATOM 1267 CA SER A 98 -5.313 9.113 14.819 1.00 1.01 C ATOM 1268 C SER A 98 -4.841 9.156 16.268 1.00 1.07 C ATOM 1269 O SER A 98 -4.835 10.212 16.900 1.00 1.18 O ATOM 1270 CB SER A 98 -6.793 8.731 14.763 1.00 0.99 C ATOM 1271 OG SER A 98 -7.545 9.462 15.717 1.00 1.50 O ATOM 0 H SER A 98 -5.040 7.381 13.668 1.00 0.92 H new ATOM 0 HA SER A 98 -5.189 10.103 14.379 1.00 1.01 H new ATOM 0 HB2 SER A 98 -7.184 8.922 13.764 1.00 0.99 H new ATOM 0 HB3 SER A 98 -6.903 7.663 14.949 1.00 0.99 H new ATOM 0 HG SER A 98 -8.488 9.201 15.660 1.00 1.50 H new ATOM 1277 N GLU A 99 -4.439 7.999 16.784 1.00 1.04 N ATOM 1278 CA GLU A 99 -3.956 7.901 18.155 1.00 1.13 C ATOM 1279 C GLU A 99 -2.547 8.472 18.268 1.00 1.27 C ATOM 1280 O GLU A 99 -2.206 9.123 19.255 1.00 1.45 O ATOM 1281 CB GLU A 99 -3.970 6.444 18.621 1.00 1.07 C ATOM 1282 CG GLU A 99 -3.861 6.286 20.129 1.00 1.76 C ATOM 1283 CD GLU A 99 -5.193 5.975 20.781 1.00 2.27 C ATOM 1284 OE1 GLU A 99 -6.123 6.799 20.654 1.00 2.68 O ATOM 1285 OE2 GLU A 99 -5.307 4.907 21.419 1.00 2.88 O ATOM 0 H GLU A 99 -4.438 7.116 16.273 1.00 1.04 H new ATOM 0 HA GLU A 99 -4.620 8.482 18.795 1.00 1.13 H new ATOM 0 HB2 GLU A 99 -4.891 5.971 18.280 1.00 1.07 H new ATOM 0 HB3 GLU A 99 -3.145 5.912 18.148 1.00 1.07 H new ATOM 0 HG2 GLU A 99 -3.154 5.488 20.357 1.00 1.76 H new ATOM 0 HG3 GLU A 99 -3.456 7.202 20.558 1.00 1.76 H new ATOM 1292 N GLN A 100 -1.733 8.227 17.245 1.00 1.22 N ATOM 1293 CA GLN A 100 -0.362 8.723 17.225 1.00 1.37 C ATOM 1294 C GLN A 100 -0.334 10.250 17.275 1.00 1.48 C ATOM 1295 O GLN A 100 0.667 10.849 17.668 1.00 1.63 O ATOM 1296 CB GLN A 100 0.363 8.227 15.971 1.00 1.33 C ATOM 1297 CG GLN A 100 1.279 7.042 16.228 1.00 1.96 C ATOM 1298 CD GLN A 100 2.663 7.235 15.638 1.00 2.38 C ATOM 1299 OE1 GLN A 100 3.473 7.999 16.164 1.00 3.19 O ATOM 1300 NE2 GLN A 100 2.941 6.543 14.539 1.00 2.35 N ATOM 0 H GLN A 100 -1.999 7.689 16.421 1.00 1.22 H new ATOM 0 HA GLN A 100 0.150 8.340 18.108 1.00 1.37 H new ATOM 0 HB2 GLN A 100 -0.376 7.948 15.220 1.00 1.33 H new ATOM 0 HB3 GLN A 100 0.949 9.045 15.553 1.00 1.33 H new ATOM 0 HG2 GLN A 100 1.366 6.881 17.303 1.00 1.96 H new ATOM 0 HG3 GLN A 100 0.830 6.143 15.806 1.00 1.96 H new ATOM 0 HE21 GLN A 100 2.240 5.921 14.137 1.00 2.35 H new ATOM 0 HE22 GLN A 100 3.856 6.633 14.097 1.00 2.35 H new ATOM 1307 N GLU A 101 -1.439 10.874 16.871 1.00 1.44 N ATOM 1308 CA GLU A 101 -1.544 12.331 16.867 1.00 1.59 C ATOM 1309 C GLU A 101 -0.678 12.933 15.766 1.00 1.58 C ATOM 1310 O GLU A 101 -0.118 14.017 15.926 1.00 1.81 O ATOM 1311 CB GLU A 101 -1.137 12.905 18.226 1.00 1.80 C ATOM 1312 CG GLU A 101 -1.978 14.095 18.659 1.00 2.02 C ATOM 1313 CD GLU A 101 -3.259 13.679 19.356 1.00 1.97 C ATOM 1314 OE1 GLU A 101 -4.052 12.932 18.745 1.00 2.68 O ATOM 1315 OE2 GLU A 101 -3.469 14.101 20.513 1.00 2.04 O ATOM 0 H GLU A 101 -2.275 10.392 16.542 1.00 1.44 H new ATOM 0 HA GLU A 101 -2.584 12.592 16.673 1.00 1.59 H new ATOM 0 HB2 GLU A 101 -1.215 12.122 18.980 1.00 1.80 H new ATOM 0 HB3 GLU A 101 -0.090 13.206 18.186 1.00 1.80 H new ATOM 0 HG2 GLU A 101 -1.392 14.725 19.328 1.00 2.02 H new ATOM 0 HG3 GLU A 101 -2.223 14.699 17.786 1.00 2.02 H new ATOM 1322 N LYS A 102 -0.576 12.222 14.648 1.00 1.36 N ATOM 1323 CA LYS A 102 0.221 12.684 13.518 1.00 1.36 C ATOM 1324 C LYS A 102 -0.597 12.650 12.228 1.00 1.24 C ATOM 1325 O LYS A 102 -1.572 11.907 12.121 1.00 1.16 O ATOM 1326 CB LYS A 102 1.476 11.821 13.368 1.00 1.37 C ATOM 1327 CG LYS A 102 2.755 12.533 13.780 1.00 1.77 C ATOM 1328 CD LYS A 102 2.812 12.755 15.283 1.00 2.28 C ATOM 1329 CE LYS A 102 3.433 11.566 15.997 1.00 2.19 C ATOM 1330 NZ LYS A 102 4.170 11.978 17.224 1.00 2.36 N ATOM 0 H LYS A 102 -1.036 11.323 14.500 1.00 1.36 H new ATOM 0 HA LYS A 102 0.520 13.715 13.709 1.00 1.36 H new ATOM 0 HB2 LYS A 102 1.361 10.920 13.970 1.00 1.37 H new ATOM 0 HB3 LYS A 102 1.566 11.502 12.330 1.00 1.37 H new ATOM 0 HG2 LYS A 102 3.617 11.945 13.465 1.00 1.77 H new ATOM 0 HG3 LYS A 102 2.819 13.493 13.267 1.00 1.77 H new ATOM 0 HD2 LYS A 102 3.391 13.653 15.498 1.00 2.28 H new ATOM 0 HD3 LYS A 102 1.806 12.926 15.665 1.00 2.28 H new ATOM 0 HE2 LYS A 102 2.652 10.855 16.264 1.00 2.19 H new ATOM 0 HE3 LYS A 102 4.115 11.051 15.320 1.00 2.19 H new ATOM 0 HZ1 LYS A 102 4.579 11.138 17.682 1.00 2.36 H new ATOM 0 HZ2 LYS A 102 4.932 12.637 16.966 1.00 2.36 H new ATOM 0 HZ3 LYS A 102 3.515 12.447 17.882 1.00 2.36 H new ATOM 1344 N PRO A 103 -0.208 13.460 11.229 1.00 1.27 N ATOM 1345 CA PRO A 103 -0.911 13.522 9.942 1.00 1.21 C ATOM 1346 C PRO A 103 -1.059 12.149 9.293 1.00 1.01 C ATOM 1347 O PRO A 103 -0.078 11.428 9.112 1.00 0.97 O ATOM 1348 CB PRO A 103 -0.017 14.423 9.087 1.00 1.28 C ATOM 1349 CG PRO A 103 0.735 15.254 10.069 1.00 1.36 C ATOM 1350 CD PRO A 103 0.943 14.381 11.274 1.00 1.42 C ATOM 0 HA PRO A 103 -1.929 13.894 10.055 1.00 1.21 H new ATOM 0 HB2 PRO A 103 0.659 13.835 8.466 1.00 1.28 H new ATOM 0 HB3 PRO A 103 -0.609 15.044 8.414 1.00 1.28 H new ATOM 0 HG2 PRO A 103 1.689 15.581 9.655 1.00 1.36 H new ATOM 0 HG3 PRO A 103 0.176 16.153 10.330 1.00 1.36 H new ATOM 0 HD2 PRO A 103 1.890 13.844 11.223 1.00 1.42 H new ATOM 0 HD3 PRO A 103 0.956 14.963 12.195 1.00 1.42 H new ATOM 1358 N LEU A 104 -2.292 11.797 8.943 1.00 1.00 N ATOM 1359 CA LEU A 104 -2.572 10.513 8.310 1.00 0.93 C ATOM 1360 C LEU A 104 -1.814 10.375 6.991 1.00 0.85 C ATOM 1361 O LEU A 104 -1.583 9.265 6.510 1.00 0.78 O ATOM 1362 CB LEU A 104 -4.077 10.362 8.068 1.00 1.11 C ATOM 1363 CG LEU A 104 -4.747 9.221 8.835 1.00 1.03 C ATOM 1364 CD1 LEU A 104 -6.233 9.169 8.517 1.00 1.40 C ATOM 1365 CD2 LEU A 104 -4.081 7.893 8.504 1.00 1.51 C ATOM 0 H LEU A 104 -3.114 12.384 9.087 1.00 1.00 H new ATOM 0 HA LEU A 104 -2.236 9.723 8.981 1.00 0.93 H new ATOM 0 HB2 LEU A 104 -4.568 11.297 8.337 1.00 1.11 H new ATOM 0 HB3 LEU A 104 -4.244 10.209 7.002 1.00 1.11 H new ATOM 0 HG LEU A 104 -4.630 9.406 9.903 1.00 1.03 H new ATOM 0 HD11 LEU A 104 -6.695 8.352 9.071 1.00 1.40 H new ATOM 0 HD12 LEU A 104 -6.700 10.111 8.804 1.00 1.40 H new ATOM 0 HD13 LEU A 104 -6.371 9.007 7.448 1.00 1.40 H new ATOM 0 HD21 LEU A 104 -4.570 7.092 9.059 1.00 1.51 H new ATOM 0 HD22 LEU A 104 -4.167 7.699 7.435 1.00 1.51 H new ATOM 0 HD23 LEU A 104 -3.028 7.935 8.781 1.00 1.51 H new ATOM 1371 N MET A 105 -1.433 11.509 6.409 1.00 0.98 N ATOM 1372 CA MET A 105 -0.704 11.521 5.143 1.00 0.99 C ATOM 1373 C MET A 105 0.498 10.580 5.186 1.00 0.76 C ATOM 1374 O MET A 105 0.689 9.760 4.288 1.00 0.81 O ATOM 1375 CB MET A 105 -0.243 12.942 4.812 1.00 1.22 C ATOM 1376 CG MET A 105 -1.371 13.961 4.783 1.00 1.08 C ATOM 1377 SD MET A 105 -2.545 13.660 3.449 1.00 1.56 S ATOM 1378 CE MET A 105 -3.539 12.353 4.162 1.00 1.27 C ATOM 0 H MET A 105 -1.618 12.435 6.795 1.00 0.98 H new ATOM 0 HA MET A 105 -1.381 11.171 4.364 1.00 0.99 H new ATOM 0 HB2 MET A 105 0.498 13.255 5.548 1.00 1.22 H new ATOM 0 HB3 MET A 105 0.254 12.936 3.842 1.00 1.22 H new ATOM 0 HG2 MET A 105 -1.898 13.941 5.737 1.00 1.08 H new ATOM 0 HG3 MET A 105 -0.950 14.960 4.672 1.00 1.08 H new ATOM 0 HE1 MET A 105 -4.570 12.454 3.824 1.00 1.27 H new ATOM 0 HE2 MET A 105 -3.147 11.385 3.848 1.00 1.27 H new ATOM 0 HE3 MET A 105 -3.505 12.422 5.249 1.00 1.27 H new ATOM 1388 N ALA A 106 1.304 10.703 6.235 1.00 0.70 N ATOM 1389 CA ALA A 106 2.487 9.864 6.393 1.00 0.63 C ATOM 1390 C ALA A 106 2.099 8.422 6.707 1.00 0.54 C ATOM 1391 O ALA A 106 2.681 7.476 6.169 1.00 0.61 O ATOM 1392 CB ALA A 106 3.382 10.421 7.489 1.00 0.84 C ATOM 0 H ALA A 106 1.160 11.375 6.988 1.00 0.70 H new ATOM 0 HA ALA A 106 3.036 9.868 5.451 1.00 0.63 H new ATOM 0 HB1 ALA A 106 4.262 9.787 7.598 1.00 0.84 H new ATOM 0 HB2 ALA A 106 3.694 11.432 7.226 1.00 0.84 H new ATOM 0 HB3 ALA A 106 2.833 10.445 8.430 1.00 0.84 H new ATOM 1398 N HIS A 107 1.110 8.263 7.582 1.00 0.53 N ATOM 1399 CA HIS A 107 0.636 6.941 7.975 1.00 0.60 C ATOM 1400 C HIS A 107 0.255 6.115 6.753 1.00 0.55 C ATOM 1401 O HIS A 107 0.475 4.907 6.717 1.00 0.70 O ATOM 1402 CB HIS A 107 -0.563 7.065 8.916 1.00 0.70 C ATOM 1403 CG HIS A 107 -0.773 5.861 9.782 1.00 1.22 C ATOM 1404 ND1 HIS A 107 -0.008 5.594 10.898 1.00 1.79 N ATOM 1405 CD2 HIS A 107 -1.669 4.849 9.692 1.00 1.93 C ATOM 1406 CE1 HIS A 107 -0.424 4.471 11.457 1.00 2.26 C ATOM 1407 NE2 HIS A 107 -1.431 4.000 10.744 1.00 2.34 N ATOM 0 H HIS A 107 0.621 9.036 8.033 1.00 0.53 H new ATOM 0 HA HIS A 107 1.447 6.432 8.497 1.00 0.60 H new ATOM 0 HB2 HIS A 107 -0.426 7.940 9.552 1.00 0.70 H new ATOM 0 HB3 HIS A 107 -1.462 7.238 8.324 1.00 0.70 H new ATOM 0 HD1 HIS A 107 0.759 6.173 11.239 1.00 1.79 H new ATOM 0 HD2 HIS A 107 -2.429 4.732 8.934 1.00 1.93 H new ATOM 0 HE1 HIS A 107 -0.011 4.016 12.345 1.00 2.26 H new ATOM 1416 N TRP A 108 -0.316 6.778 5.754 1.00 0.47 N ATOM 1417 CA TRP A 108 -0.726 6.105 4.528 1.00 0.46 C ATOM 1418 C TRP A 108 0.486 5.586 3.764 1.00 0.43 C ATOM 1419 O TRP A 108 0.635 4.380 3.560 1.00 0.47 O ATOM 1420 CB TRP A 108 -1.539 7.057 3.650 1.00 0.55 C ATOM 1421 CG TRP A 108 -3.017 6.896 3.827 1.00 0.56 C ATOM 1422 CD1 TRP A 108 -3.847 7.688 4.567 1.00 0.94 C ATOM 1423 CD2 TRP A 108 -3.838 5.873 3.257 1.00 0.94 C ATOM 1424 NE1 TRP A 108 -5.136 7.218 4.491 1.00 0.81 N ATOM 1425 CE2 TRP A 108 -5.156 6.106 3.692 1.00 0.78 C ATOM 1426 CE3 TRP A 108 -3.587 4.783 2.419 1.00 1.75 C ATOM 1427 CZ2 TRP A 108 -6.218 5.288 3.318 1.00 1.22 C ATOM 1428 CZ3 TRP A 108 -4.642 3.973 2.048 1.00 2.30 C ATOM 1429 CH2 TRP A 108 -5.943 4.229 2.497 1.00 2.00 C ATOM 0 H TRP A 108 -0.505 7.780 5.769 1.00 0.47 H new ATOM 0 HA TRP A 108 -1.350 5.253 4.797 1.00 0.46 H new ATOM 0 HB2 TRP A 108 -1.260 8.085 3.883 1.00 0.55 H new ATOM 0 HB3 TRP A 108 -1.283 6.886 2.604 1.00 0.55 H new ATOM 0 HD1 TRP A 108 -3.536 8.556 5.129 1.00 0.94 H new ATOM 0 HE1 TRP A 108 -5.946 7.630 4.954 1.00 0.81 H new ATOM 0 HE3 TRP A 108 -2.586 4.578 2.068 1.00 1.75 H new ATOM 0 HZ2 TRP A 108 -7.223 5.482 3.663 1.00 1.22 H new ATOM 0 HZ3 TRP A 108 -4.460 3.128 1.401 1.00 2.30 H new ATOM 0 HH2 TRP A 108 -6.747 3.577 2.189 1.00 2.00 H new ATOM 1440 N ALA A 109 1.353 6.504 3.349 1.00 0.47 N ATOM 1441 CA ALA A 109 2.557 6.142 2.611 1.00 0.51 C ATOM 1442 C ALA A 109 3.362 5.083 3.356 1.00 0.49 C ATOM 1443 O ALA A 109 3.970 4.205 2.745 1.00 0.64 O ATOM 1444 CB ALA A 109 3.411 7.376 2.361 1.00 0.62 C ATOM 0 H ALA A 109 1.244 7.505 3.512 1.00 0.47 H new ATOM 0 HA ALA A 109 2.253 5.721 1.653 1.00 0.51 H new ATOM 0 HB1 ALA A 109 4.307 7.093 1.809 1.00 0.62 H new ATOM 0 HB2 ALA A 109 2.841 8.101 1.780 1.00 0.62 H new ATOM 0 HB3 ALA A 109 3.697 7.820 3.315 1.00 0.62 H new ATOM 1450 N HIS A 110 3.363 5.173 4.681 1.00 0.44 N ATOM 1451 CA HIS A 110 4.098 4.222 5.509 1.00 0.53 C ATOM 1452 C HIS A 110 3.332 2.910 5.667 1.00 0.60 C ATOM 1453 O HIS A 110 3.888 1.827 5.471 1.00 0.86 O ATOM 1454 CB HIS A 110 4.382 4.830 6.885 1.00 0.57 C ATOM 1455 CG HIS A 110 5.833 4.828 7.252 1.00 1.03 C ATOM 1456 ND1 HIS A 110 6.824 3.959 6.943 1.00 1.58 N flip ATOM 1457 CD2 HIS A 110 6.413 5.807 8.031 1.00 1.90 C flip ATOM 1458 CE1 HIS A 110 7.972 4.425 7.535 1.00 1.93 C flip ATOM 1459 NE2 HIS A 110 7.698 5.541 8.184 1.00 2.16 N flip ATOM 0 H HIS A 110 2.865 5.893 5.205 1.00 0.44 H new ATOM 0 HA HIS A 110 5.041 4.004 5.008 1.00 0.53 H new ATOM 0 HB2 HIS A 110 4.012 5.855 6.903 1.00 0.57 H new ATOM 0 HB3 HIS A 110 3.824 4.276 7.640 1.00 0.57 H new ATOM 0 HD2 HIS A 110 5.897 6.658 8.450 1.00 1.90 H new ATOM 0 HE1 HIS A 110 8.942 3.954 7.479 1.00 1.93 H new ATOM 0 HE2 HIS A 110 8.365 6.103 8.714 1.00 2.16 H new ATOM 1468 N MET A 111 2.060 3.011 6.039 1.00 0.50 N ATOM 1469 CA MET A 111 1.231 1.829 6.243 1.00 0.59 C ATOM 1470 C MET A 111 1.110 0.996 4.967 1.00 0.59 C ATOM 1471 O MET A 111 1.034 -0.231 5.029 1.00 0.78 O ATOM 1472 CB MET A 111 -0.155 2.221 6.768 1.00 0.63 C ATOM 1473 CG MET A 111 -1.063 2.861 5.727 1.00 1.24 C ATOM 1474 SD MET A 111 -2.585 1.930 5.458 1.00 2.04 S ATOM 1475 CE MET A 111 -1.940 0.279 5.201 1.00 1.59 C ATOM 0 H MET A 111 1.582 3.897 6.205 1.00 0.50 H new ATOM 0 HA MET A 111 1.723 1.210 6.993 1.00 0.59 H new ATOM 0 HB2 MET A 111 -0.646 1.331 7.163 1.00 0.63 H new ATOM 0 HB3 MET A 111 -0.032 2.914 7.601 1.00 0.63 H new ATOM 0 HG2 MET A 111 -1.313 3.874 6.043 1.00 1.24 H new ATOM 0 HG3 MET A 111 -0.523 2.946 4.784 1.00 1.24 H new ATOM 0 HE1 MET A 111 -2.766 -0.413 5.039 1.00 1.59 H new ATOM 0 HE2 MET A 111 -1.287 0.275 4.328 1.00 1.59 H new ATOM 0 HE3 MET A 111 -1.373 -0.031 6.079 1.00 1.59 H new ATOM 1485 N VAL A 112 1.100 1.657 3.812 1.00 0.51 N ATOM 1486 CA VAL A 112 0.996 0.943 2.542 1.00 0.58 C ATOM 1487 C VAL A 112 2.271 0.153 2.262 1.00 0.64 C ATOM 1488 O VAL A 112 2.221 -1.033 1.923 1.00 0.78 O ATOM 1489 CB VAL A 112 0.720 1.898 1.361 1.00 0.59 C ATOM 1490 CG1 VAL A 112 -0.629 2.581 1.527 1.00 1.46 C ATOM 1491 CG2 VAL A 112 1.834 2.923 1.225 1.00 1.42 C ATOM 0 H VAL A 112 1.162 2.672 3.729 1.00 0.51 H new ATOM 0 HA VAL A 112 0.152 0.259 2.634 1.00 0.58 H new ATOM 0 HB VAL A 112 0.691 1.309 0.445 1.00 0.59 H new ATOM 0 HG11 VAL A 112 -0.804 3.250 0.684 1.00 1.46 H new ATOM 0 HG12 VAL A 112 -1.416 1.828 1.563 1.00 1.46 H new ATOM 0 HG13 VAL A 112 -0.634 3.155 2.453 1.00 1.46 H new ATOM 0 HG21 VAL A 112 1.619 3.585 0.387 1.00 1.42 H new ATOM 0 HG22 VAL A 112 1.903 3.509 2.142 1.00 1.42 H new ATOM 0 HG23 VAL A 112 2.780 2.411 1.049 1.00 1.42 H new ATOM 1495 N VAL A 113 3.415 0.813 2.421 1.00 0.61 N ATOM 1496 CA VAL A 113 4.701 0.167 2.199 1.00 0.72 C ATOM 1497 C VAL A 113 4.939 -0.916 3.244 1.00 0.82 C ATOM 1498 O VAL A 113 5.591 -1.924 2.972 1.00 1.03 O ATOM 1499 CB VAL A 113 5.860 1.186 2.238 1.00 0.73 C ATOM 1500 CG1 VAL A 113 7.206 0.485 2.119 1.00 0.97 C ATOM 1501 CG2 VAL A 113 5.696 2.219 1.134 1.00 0.63 C ATOM 0 H VAL A 113 3.476 1.792 2.702 1.00 0.61 H new ATOM 0 HA VAL A 113 4.674 -0.284 1.207 1.00 0.72 H new ATOM 0 HB VAL A 113 5.830 1.698 3.200 1.00 0.73 H new ATOM 0 HG11 VAL A 113 8.006 1.225 2.149 1.00 0.97 H new ATOM 0 HG12 VAL A 113 7.327 -0.214 2.947 1.00 0.97 H new ATOM 0 HG13 VAL A 113 7.251 -0.059 1.176 1.00 0.97 H new ATOM 0 HG21 VAL A 113 6.521 2.930 1.175 1.00 0.63 H new ATOM 0 HG22 VAL A 113 5.696 1.719 0.165 1.00 0.63 H new ATOM 0 HG23 VAL A 113 4.753 2.749 1.269 1.00 0.63 H new ATOM 1505 N HIS A 114 4.395 -0.707 4.440 1.00 0.75 N ATOM 1506 CA HIS A 114 4.540 -1.674 5.519 1.00 0.85 C ATOM 1507 C HIS A 114 3.890 -3.000 5.130 1.00 0.96 C ATOM 1508 O HIS A 114 4.446 -4.073 5.367 1.00 1.08 O ATOM 1509 CB HIS A 114 3.929 -1.114 6.817 1.00 0.89 C ATOM 1510 CG HIS A 114 2.710 -1.845 7.307 1.00 0.99 C ATOM 1511 ND1 HIS A 114 2.735 -3.162 7.714 1.00 1.39 N ATOM 1512 CD2 HIS A 114 1.427 -1.432 7.460 1.00 1.57 C ATOM 1513 CE1 HIS A 114 1.523 -3.527 8.093 1.00 1.30 C ATOM 1514 NE2 HIS A 114 0.712 -2.495 7.950 1.00 1.36 N ATOM 0 H HIS A 114 3.852 0.121 4.684 1.00 0.75 H new ATOM 0 HA HIS A 114 5.600 -1.857 5.695 1.00 0.85 H new ATOM 0 HB2 HIS A 114 4.688 -1.137 7.599 1.00 0.89 H new ATOM 0 HB3 HIS A 114 3.668 -0.068 6.657 1.00 0.89 H new ATOM 0 HD1 HIS A 114 3.560 -3.761 7.721 1.00 1.39 H new ATOM 0 HD2 HIS A 114 1.040 -0.449 7.237 1.00 1.57 H new ATOM 0 HE1 HIS A 114 1.243 -4.504 8.458 1.00 1.30 H new ATOM 1523 N GLY A 115 2.709 -2.910 4.528 1.00 1.03 N ATOM 1524 CA GLY A 115 1.992 -4.098 4.109 1.00 1.18 C ATOM 1525 C GLY A 115 2.398 -4.577 2.728 1.00 1.20 C ATOM 1526 O GLY A 115 2.093 -5.706 2.346 1.00 1.36 O ATOM 0 H GLY A 115 2.234 -2.031 4.322 1.00 1.03 H new ATOM 0 HA2 GLY A 115 2.168 -4.896 4.831 1.00 1.18 H new ATOM 0 HA3 GLY A 115 0.922 -3.892 4.116 1.00 1.18 H new ATOM 1530 N SER A 116 3.080 -3.720 1.974 1.00 1.17 N ATOM 1531 CA SER A 116 3.516 -4.076 0.627 1.00 1.26 C ATOM 1532 C SER A 116 4.704 -5.033 0.659 1.00 1.36 C ATOM 1533 O SER A 116 4.718 -6.042 -0.046 1.00 1.63 O ATOM 1534 CB SER A 116 3.887 -2.819 -0.160 1.00 1.31 C ATOM 1535 OG SER A 116 2.742 -2.034 -0.441 1.00 1.72 O ATOM 0 H SER A 116 3.342 -2.780 2.270 1.00 1.17 H new ATOM 0 HA SER A 116 2.685 -4.581 0.134 1.00 1.26 H new ATOM 0 HB2 SER A 116 4.605 -2.229 0.410 1.00 1.31 H new ATOM 0 HB3 SER A 116 4.375 -3.102 -1.093 1.00 1.31 H new ATOM 0 HG SER A 116 2.262 -1.845 0.392 1.00 1.72 H new ATOM 1541 N LEU A 117 5.704 -4.705 1.469 1.00 1.28 N ATOM 1542 CA LEU A 117 6.903 -5.531 1.578 1.00 1.49 C ATOM 1543 C LEU A 117 6.714 -6.681 2.562 1.00 1.69 C ATOM 1544 O LEU A 117 6.969 -7.839 2.233 1.00 1.94 O ATOM 1545 CB LEU A 117 8.091 -4.675 2.011 1.00 1.49 C ATOM 1546 CG LEU A 117 9.449 -5.152 1.501 1.00 1.78 C ATOM 1547 CD1 LEU A 117 10.382 -3.974 1.302 1.00 2.07 C ATOM 1548 CD2 LEU A 117 10.056 -6.162 2.463 1.00 2.38 C ATOM 0 H LEU A 117 5.709 -3.874 2.060 1.00 1.28 H new ATOM 0 HA LEU A 117 7.095 -5.960 0.595 1.00 1.49 H new ATOM 0 HB2 LEU A 117 7.929 -3.654 1.667 1.00 1.49 H new ATOM 0 HB3 LEU A 117 8.119 -4.643 3.100 1.00 1.49 H new ATOM 0 HG LEU A 117 9.305 -5.643 0.538 1.00 1.78 H new ATOM 0 HD11 LEU A 117 11.346 -4.331 0.938 1.00 2.07 H new ATOM 0 HD12 LEU A 117 9.951 -3.287 0.574 1.00 2.07 H new ATOM 0 HD13 LEU A 117 10.521 -3.456 2.251 1.00 2.07 H new ATOM 0 HD21 LEU A 117 11.023 -6.491 2.083 1.00 2.38 H new ATOM 0 HD22 LEU A 117 10.189 -5.699 3.441 1.00 2.38 H new ATOM 0 HD23 LEU A 117 9.392 -7.021 2.555 1.00 2.38 H new ATOM 1554 N HIS A 118 6.281 -6.353 3.774 1.00 1.70 N ATOM 1555 CA HIS A 118 6.074 -7.356 4.814 1.00 2.04 C ATOM 1556 C HIS A 118 5.172 -8.496 4.339 1.00 2.25 C ATOM 1557 O HIS A 118 5.176 -9.580 4.922 1.00 2.60 O ATOM 1558 CB HIS A 118 5.470 -6.705 6.060 1.00 2.10 C ATOM 1559 CG HIS A 118 5.842 -7.395 7.336 1.00 2.30 C ATOM 1560 ND1 HIS A 118 4.981 -8.226 8.021 1.00 2.63 N ATOM 1561 CD2 HIS A 118 6.990 -7.373 8.053 1.00 2.93 C ATOM 1562 CE1 HIS A 118 5.583 -8.685 9.104 1.00 3.13 C ATOM 1563 NE2 HIS A 118 6.803 -8.183 9.146 1.00 3.28 N ATOM 0 H HIS A 118 6.066 -5.398 4.062 1.00 1.70 H new ATOM 0 HA HIS A 118 7.048 -7.781 5.055 1.00 2.04 H new ATOM 0 HB2 HIS A 118 5.795 -5.666 6.111 1.00 2.10 H new ATOM 0 HB3 HIS A 118 4.384 -6.695 5.965 1.00 2.10 H new ATOM 0 HD2 HIS A 118 7.886 -6.821 7.811 1.00 2.93 H new ATOM 0 HE1 HIS A 118 5.150 -9.356 9.831 1.00 3.13 H new ATOM 0 HE2 HIS A 118 7.495 -8.367 9.873 1.00 3.28 H new ATOM 1572 N LEU A 119 4.388 -8.245 3.295 1.00 2.15 N ATOM 1573 CA LEU A 119 3.475 -9.256 2.775 1.00 2.45 C ATOM 1574 C LEU A 119 4.105 -10.090 1.661 1.00 2.53 C ATOM 1575 O LEU A 119 3.852 -11.291 1.567 1.00 2.98 O ATOM 1576 CB LEU A 119 2.191 -8.592 2.260 1.00 2.52 C ATOM 1577 CG LEU A 119 1.255 -9.494 1.443 1.00 2.47 C ATOM 1578 CD1 LEU A 119 1.739 -9.604 0.004 1.00 3.30 C ATOM 1579 CD2 LEU A 119 1.139 -10.876 2.074 1.00 2.27 C ATOM 0 H LEU A 119 4.366 -7.356 2.795 1.00 2.15 H new ATOM 0 HA LEU A 119 3.240 -9.930 3.598 1.00 2.45 H new ATOM 0 HB2 LEU A 119 1.637 -8.204 3.115 1.00 2.52 H new ATOM 0 HB3 LEU A 119 2.468 -7.736 1.645 1.00 2.52 H new ATOM 0 HG LEU A 119 0.265 -9.038 1.442 1.00 2.47 H new ATOM 0 HD11 LEU A 119 1.063 -10.247 -0.559 1.00 3.30 H new ATOM 0 HD12 LEU A 119 1.759 -8.613 -0.450 1.00 3.30 H new ATOM 0 HD13 LEU A 119 2.742 -10.030 -0.011 1.00 3.30 H new ATOM 0 HD21 LEU A 119 0.470 -11.494 1.475 1.00 2.27 H new ATOM 0 HD22 LEU A 119 2.124 -11.341 2.115 1.00 2.27 H new ATOM 0 HD23 LEU A 119 0.740 -10.783 3.084 1.00 2.27 H new ATOM 1585 N LEU A 120 4.898 -9.460 0.797 1.00 2.25 N ATOM 1586 CA LEU A 120 5.507 -10.186 -0.315 1.00 2.47 C ATOM 1587 C LEU A 120 7.001 -9.910 -0.450 1.00 2.57 C ATOM 1588 O LEU A 120 7.768 -10.802 -0.813 1.00 3.07 O ATOM 1589 CB LEU A 120 4.794 -9.828 -1.622 1.00 2.62 C ATOM 1590 CG LEU A 120 5.036 -8.402 -2.128 1.00 2.70 C ATOM 1591 CD1 LEU A 120 6.025 -8.404 -3.283 1.00 3.20 C ATOM 1592 CD2 LEU A 120 3.725 -7.753 -2.549 1.00 2.88 C ATOM 0 H LEU A 120 5.131 -8.468 0.843 1.00 2.25 H new ATOM 0 HA LEU A 120 5.394 -11.249 -0.104 1.00 2.47 H new ATOM 0 HB2 LEU A 120 5.111 -10.529 -2.394 1.00 2.62 H new ATOM 0 HB3 LEU A 120 3.722 -9.970 -1.483 1.00 2.62 H new ATOM 0 HG LEU A 120 5.462 -7.818 -1.312 1.00 2.70 H new ATOM 0 HD11 LEU A 120 6.183 -7.382 -3.628 1.00 3.20 H new ATOM 0 HD12 LEU A 120 6.973 -8.825 -2.949 1.00 3.20 H new ATOM 0 HD13 LEU A 120 5.628 -9.006 -4.101 1.00 3.20 H new ATOM 0 HD21 LEU A 120 3.918 -6.741 -2.905 1.00 2.88 H new ATOM 0 HD22 LEU A 120 3.269 -8.338 -3.348 1.00 2.88 H new ATOM 0 HD23 LEU A 120 3.048 -7.714 -1.696 1.00 2.88 H new ATOM 1598 N GLY A 121 7.412 -8.677 -0.183 1.00 2.56 N ATOM 1599 CA GLY A 121 8.814 -8.336 -0.314 1.00 3.27 C ATOM 1600 C GLY A 121 9.166 -7.981 -1.744 1.00 3.49 C ATOM 1601 O GLY A 121 9.869 -8.728 -2.425 1.00 4.12 O ATOM 0 H GLY A 121 6.806 -7.914 0.119 1.00 2.56 H new ATOM 0 HA2 GLY A 121 9.048 -7.495 0.339 1.00 3.27 H new ATOM 0 HA3 GLY A 121 9.426 -9.175 0.015 1.00 3.27 H new ATOM 1605 N TYR A 122 8.657 -6.844 -2.204 1.00 3.41 N ATOM 1606 CA TYR A 122 8.892 -6.382 -3.571 1.00 4.05 C ATOM 1607 C TYR A 122 10.346 -5.956 -3.808 1.00 4.04 C ATOM 1608 O TYR A 122 10.645 -5.285 -4.796 1.00 4.29 O ATOM 1609 CB TYR A 122 7.936 -5.235 -3.921 1.00 4.92 C ATOM 1610 CG TYR A 122 8.051 -4.024 -3.019 1.00 4.99 C ATOM 1611 CD1 TYR A 122 7.437 -3.996 -1.772 1.00 5.07 C ATOM 1612 CD2 TYR A 122 8.769 -2.906 -3.420 1.00 5.29 C ATOM 1613 CE1 TYR A 122 7.538 -2.889 -0.952 1.00 5.49 C ATOM 1614 CE2 TYR A 122 8.874 -1.795 -2.605 1.00 5.72 C ATOM 1615 CZ TYR A 122 8.258 -1.792 -1.373 1.00 5.83 C ATOM 1616 OH TYR A 122 8.362 -0.687 -0.559 1.00 6.50 O ATOM 0 H TYR A 122 8.074 -6.219 -1.647 1.00 3.41 H new ATOM 0 HA TYR A 122 8.696 -7.228 -4.230 1.00 4.05 H new ATOM 0 HB2 TYR A 122 8.122 -4.925 -4.949 1.00 4.92 H new ATOM 0 HB3 TYR A 122 6.912 -5.607 -3.880 1.00 4.92 H new ATOM 0 HD1 TYR A 122 6.872 -4.854 -1.439 1.00 5.07 H new ATOM 0 HD2 TYR A 122 9.254 -2.904 -4.385 1.00 5.29 H new ATOM 0 HE1 TYR A 122 7.055 -2.883 0.014 1.00 5.49 H new ATOM 0 HE2 TYR A 122 9.436 -0.933 -2.932 1.00 5.72 H new ATOM 0 HH TYR A 122 8.886 -0.915 0.237 1.00 6.50 H new ATOM 1626 N ASP A 123 11.249 -6.356 -2.913 1.00 4.20 N ATOM 1627 CA ASP A 123 12.666 -6.025 -3.044 1.00 4.65 C ATOM 1628 C ASP A 123 13.383 -7.043 -3.934 1.00 4.02 C ATOM 1629 O ASP A 123 14.487 -7.488 -3.617 1.00 4.67 O ATOM 1630 CB ASP A 123 13.329 -5.976 -1.665 1.00 5.43 C ATOM 1631 CG ASP A 123 14.526 -5.047 -1.633 1.00 6.23 C ATOM 1632 OD1 ASP A 123 14.528 -4.055 -2.391 1.00 6.82 O ATOM 1633 OD2 ASP A 123 15.463 -5.313 -0.851 1.00 6.57 O ATOM 0 H ASP A 123 11.023 -6.911 -2.088 1.00 4.20 H new ATOM 0 HA ASP A 123 12.744 -5.043 -3.511 1.00 4.65 H new ATOM 0 HB2 ASP A 123 12.599 -5.649 -0.925 1.00 5.43 H new ATOM 0 HB3 ASP A 123 13.644 -6.980 -1.380 1.00 5.43 H new ATOM 1638 N HIS A 124 12.737 -7.417 -5.039 1.00 2.97 N ATOM 1639 CA HIS A 124 13.290 -8.392 -5.981 1.00 2.45 C ATOM 1640 C HIS A 124 14.743 -8.087 -6.342 1.00 2.10 C ATOM 1641 O HIS A 124 15.347 -7.161 -5.805 1.00 2.45 O ATOM 1642 CB HIS A 124 12.448 -8.417 -7.258 1.00 2.23 C ATOM 1643 CG HIS A 124 11.015 -8.787 -7.031 1.00 2.36 C ATOM 1644 ND1 HIS A 124 9.982 -7.876 -7.105 1.00 2.46 N ATOM 1645 CD2 HIS A 124 10.442 -9.979 -6.742 1.00 2.98 C ATOM 1646 CE1 HIS A 124 8.837 -8.491 -6.870 1.00 2.83 C ATOM 1647 NE2 HIS A 124 9.088 -9.768 -6.647 1.00 3.06 N ATOM 0 H HIS A 124 11.821 -7.055 -5.306 1.00 2.97 H new ATOM 0 HA HIS A 124 13.264 -9.365 -5.491 1.00 2.45 H new ATOM 0 HB2 HIS A 124 12.490 -7.435 -7.728 1.00 2.23 H new ATOM 0 HB3 HIS A 124 12.890 -9.125 -7.959 1.00 2.23 H new ATOM 0 HD2 HIS A 124 10.954 -10.921 -6.611 1.00 2.98 H new ATOM 0 HE1 HIS A 124 7.861 -8.028 -6.862 1.00 2.83 H new ATOM 0 HE2 HIS A 124 8.390 -10.482 -6.438 1.00 3.06 H new ATOM 1656 N ILE A 125 15.283 -8.895 -7.266 1.00 1.91 N ATOM 1657 CA ILE A 125 16.669 -8.771 -7.752 1.00 2.11 C ATOM 1658 C ILE A 125 17.344 -7.478 -7.293 1.00 2.10 C ATOM 1659 O ILE A 125 16.817 -6.383 -7.493 1.00 1.90 O ATOM 1660 CB ILE A 125 16.756 -8.841 -9.299 1.00 2.32 C ATOM 1661 CG1 ILE A 125 15.471 -9.410 -9.913 1.00 2.52 C ATOM 1662 CG2 ILE A 125 17.953 -9.680 -9.722 1.00 2.86 C ATOM 1663 CD1 ILE A 125 14.346 -8.402 -10.010 1.00 3.27 C ATOM 0 H ILE A 125 14.768 -9.660 -7.702 1.00 1.91 H new ATOM 0 HA ILE A 125 17.194 -9.621 -7.316 1.00 2.11 H new ATOM 0 HB ILE A 125 16.881 -7.823 -9.669 1.00 2.32 H new ATOM 0 HG12 ILE A 125 15.693 -9.791 -10.910 1.00 2.52 H new ATOM 0 HG13 ILE A 125 15.137 -10.258 -9.315 1.00 2.52 H new ATOM 0 HG21 ILE A 125 18.002 -9.721 -10.810 1.00 2.86 H new ATOM 0 HG22 ILE A 125 18.867 -9.231 -9.334 1.00 2.86 H new ATOM 0 HG23 ILE A 125 17.848 -10.690 -9.325 1.00 2.86 H new ATOM 0 HD11 ILE A 125 13.470 -8.876 -10.454 1.00 3.27 H new ATOM 0 HD12 ILE A 125 14.096 -8.039 -9.013 1.00 3.27 H new ATOM 0 HD13 ILE A 125 14.660 -7.565 -10.633 1.00 3.27 H new ATOM 1667 N GLU A 126 18.517 -7.617 -6.683 1.00 2.54 N ATOM 1668 CA GLU A 126 19.268 -6.466 -6.196 1.00 2.75 C ATOM 1669 C GLU A 126 20.105 -5.825 -7.305 1.00 2.70 C ATOM 1670 O GLU A 126 20.972 -4.995 -7.031 1.00 2.83 O ATOM 1671 CB GLU A 126 20.175 -6.881 -5.037 1.00 3.67 C ATOM 1672 CG GLU A 126 21.167 -7.974 -5.401 1.00 4.39 C ATOM 1673 CD GLU A 126 22.168 -8.244 -4.296 1.00 5.41 C ATOM 1674 OE1 GLU A 126 21.766 -8.802 -3.253 1.00 5.87 O ATOM 1675 OE2 GLU A 126 23.355 -7.898 -4.472 1.00 6.01 O ATOM 0 H GLU A 126 18.968 -8.516 -6.514 1.00 2.54 H new ATOM 0 HA GLU A 126 18.547 -5.726 -5.849 1.00 2.75 H new ATOM 0 HB2 GLU A 126 20.723 -6.007 -4.685 1.00 3.67 H new ATOM 0 HB3 GLU A 126 19.557 -7.225 -4.208 1.00 3.67 H new ATOM 0 HG2 GLU A 126 20.624 -8.892 -5.627 1.00 4.39 H new ATOM 0 HG3 GLU A 126 21.700 -7.688 -6.308 1.00 4.39 H new ATOM 1682 N ASP A 127 19.845 -6.206 -8.553 1.00 2.79 N ATOM 1683 CA ASP A 127 20.582 -5.655 -9.683 1.00 3.14 C ATOM 1684 C ASP A 127 19.911 -4.389 -10.210 1.00 2.88 C ATOM 1685 O ASP A 127 20.445 -3.288 -10.072 1.00 3.08 O ATOM 1686 CB ASP A 127 20.689 -6.692 -10.803 1.00 3.66 C ATOM 1687 CG ASP A 127 21.443 -7.934 -10.369 1.00 4.67 C ATOM 1688 OD1 ASP A 127 22.254 -7.837 -9.425 1.00 5.29 O ATOM 1689 OD2 ASP A 127 21.221 -9.003 -10.975 1.00 5.15 O ATOM 0 H ASP A 127 19.133 -6.891 -8.805 1.00 2.79 H new ATOM 0 HA ASP A 127 21.583 -5.396 -9.338 1.00 3.14 H new ATOM 0 HB2 ASP A 127 19.688 -6.974 -11.131 1.00 3.66 H new ATOM 0 HB3 ASP A 127 21.192 -6.246 -11.661 1.00 3.66 H new ATOM 1694 N ASP A 128 18.739 -4.553 -10.817 1.00 2.70 N ATOM 1695 CA ASP A 128 17.997 -3.424 -11.369 1.00 2.87 C ATOM 1696 C ASP A 128 16.932 -2.929 -10.396 1.00 2.37 C ATOM 1697 O ASP A 128 16.981 -1.792 -9.928 1.00 2.51 O ATOM 1698 CB ASP A 128 17.346 -3.818 -12.697 1.00 3.34 C ATOM 1699 CG ASP A 128 18.159 -3.367 -13.895 1.00 3.82 C ATOM 1700 OD1 ASP A 128 19.402 -3.308 -13.781 1.00 4.30 O ATOM 1701 OD2 ASP A 128 17.553 -3.072 -14.947 1.00 4.15 O ATOM 0 H ASP A 128 18.283 -5.457 -10.939 1.00 2.70 H new ATOM 0 HA ASP A 128 18.704 -2.612 -11.540 1.00 2.87 H new ATOM 0 HB2 ASP A 128 17.223 -4.901 -12.731 1.00 3.34 H new ATOM 0 HB3 ASP A 128 16.349 -3.382 -12.753 1.00 3.34 H new ATOM 1706 N GLU A 129 15.966 -3.792 -10.105 1.00 2.02 N ATOM 1707 CA GLU A 129 14.872 -3.454 -9.196 1.00 1.94 C ATOM 1708 C GLU A 129 15.390 -2.874 -7.881 1.00 1.62 C ATOM 1709 O GLU A 129 14.683 -2.127 -7.203 1.00 1.65 O ATOM 1710 CB GLU A 129 14.016 -4.691 -8.915 1.00 2.14 C ATOM 1711 CG GLU A 129 12.833 -4.418 -8.001 1.00 3.04 C ATOM 1712 CD GLU A 129 11.765 -3.573 -8.669 1.00 4.10 C ATOM 1713 OE1 GLU A 129 12.094 -2.462 -9.134 1.00 4.68 O ATOM 1714 OE2 GLU A 129 10.601 -4.022 -8.725 1.00 4.72 O ATOM 0 H GLU A 129 15.916 -4.737 -10.487 1.00 2.02 H new ATOM 0 HA GLU A 129 14.263 -2.693 -9.684 1.00 1.94 H new ATOM 0 HB2 GLU A 129 13.649 -5.091 -9.860 1.00 2.14 H new ATOM 0 HB3 GLU A 129 14.642 -5.461 -8.465 1.00 2.14 H new ATOM 0 HG2 GLU A 129 12.397 -5.365 -7.684 1.00 3.04 H new ATOM 0 HG3 GLU A 129 13.182 -3.911 -7.101 1.00 3.04 H new ATOM 1721 N ALA A 130 16.621 -3.223 -7.522 1.00 1.57 N ATOM 1722 CA ALA A 130 17.225 -2.737 -6.285 1.00 1.56 C ATOM 1723 C ALA A 130 17.144 -1.216 -6.181 1.00 1.41 C ATOM 1724 O ALA A 130 16.341 -0.678 -5.419 1.00 1.33 O ATOM 1725 CB ALA A 130 18.671 -3.198 -6.193 1.00 1.92 C ATOM 0 H ALA A 130 17.220 -3.840 -8.070 1.00 1.57 H new ATOM 0 HA ALA A 130 16.663 -3.155 -5.450 1.00 1.56 H new ATOM 0 HB1 ALA A 130 19.112 -2.830 -5.267 1.00 1.92 H new ATOM 0 HB2 ALA A 130 18.707 -4.287 -6.204 1.00 1.92 H new ATOM 0 HB3 ALA A 130 19.232 -2.808 -7.042 1.00 1.92 H new ATOM 1731 N GLU A 131 17.986 -0.529 -6.949 1.00 1.46 N ATOM 1732 CA GLU A 131 18.015 0.931 -6.941 1.00 1.46 C ATOM 1733 C GLU A 131 16.618 1.513 -7.133 1.00 1.38 C ATOM 1734 O GLU A 131 16.206 2.418 -6.407 1.00 1.37 O ATOM 1735 CB GLU A 131 18.950 1.448 -8.037 1.00 1.66 C ATOM 1736 CG GLU A 131 18.486 1.104 -9.443 1.00 1.92 C ATOM 1737 CD GLU A 131 19.495 1.501 -10.503 1.00 2.55 C ATOM 1738 OE1 GLU A 131 19.513 2.689 -10.890 1.00 3.30 O ATOM 1739 OE2 GLU A 131 20.267 0.625 -10.945 1.00 2.84 O ATOM 0 H GLU A 131 18.657 -0.960 -7.585 1.00 1.46 H new ATOM 0 HA GLU A 131 18.388 1.253 -5.969 1.00 1.46 H new ATOM 0 HB2 GLU A 131 19.038 2.531 -7.947 1.00 1.66 H new ATOM 0 HB3 GLU A 131 19.945 1.033 -7.880 1.00 1.66 H new ATOM 0 HG2 GLU A 131 18.299 0.032 -9.508 1.00 1.92 H new ATOM 0 HG3 GLU A 131 17.539 1.605 -9.642 1.00 1.92 H new ATOM 1746 N GLU A 132 15.895 0.985 -8.114 1.00 1.44 N ATOM 1747 CA GLU A 132 14.543 1.450 -8.403 1.00 1.53 C ATOM 1748 C GLU A 132 13.654 1.334 -7.170 1.00 1.29 C ATOM 1749 O GLU A 132 13.158 2.335 -6.655 1.00 1.22 O ATOM 1750 CB GLU A 132 13.942 0.646 -9.557 1.00 1.86 C ATOM 1751 CG GLU A 132 14.404 1.112 -10.928 1.00 2.46 C ATOM 1752 CD GLU A 132 14.584 -0.035 -11.904 1.00 2.96 C ATOM 1753 OE1 GLU A 132 13.628 -0.819 -12.082 1.00 3.37 O ATOM 1754 OE2 GLU A 132 15.682 -0.149 -12.490 1.00 3.44 O ATOM 0 H GLU A 132 16.222 0.235 -8.723 1.00 1.44 H new ATOM 0 HA GLU A 132 14.599 2.500 -8.691 1.00 1.53 H new ATOM 0 HB2 GLU A 132 14.204 -0.405 -9.432 1.00 1.86 H new ATOM 0 HB3 GLU A 132 12.855 0.712 -9.507 1.00 1.86 H new ATOM 0 HG2 GLU A 132 13.677 1.817 -11.332 1.00 2.46 H new ATOM 0 HG3 GLU A 132 15.347 1.649 -10.826 1.00 2.46 H new ATOM 1761 N MET A 133 13.461 0.106 -6.700 1.00 1.28 N ATOM 1762 CA MET A 133 12.634 -0.142 -5.524 1.00 1.23 C ATOM 1763 C MET A 133 13.171 0.614 -4.313 1.00 0.98 C ATOM 1764 O MET A 133 12.444 1.371 -3.667 1.00 0.92 O ATOM 1765 CB MET A 133 12.578 -1.640 -5.222 1.00 1.53 C ATOM 1766 CG MET A 133 11.511 -2.013 -4.208 1.00 1.39 C ATOM 1767 SD MET A 133 12.034 -1.715 -2.509 1.00 2.20 S ATOM 1768 CE MET A 133 11.629 -3.284 -1.749 1.00 2.47 C ATOM 0 H MET A 133 13.866 -0.733 -7.115 1.00 1.28 H new ATOM 0 HA MET A 133 11.627 0.216 -5.736 1.00 1.23 H new ATOM 0 HB2 MET A 133 12.393 -2.183 -6.149 1.00 1.53 H new ATOM 0 HB3 MET A 133 13.550 -1.965 -4.851 1.00 1.53 H new ATOM 0 HG2 MET A 133 10.606 -1.440 -4.411 1.00 1.39 H new ATOM 0 HG3 MET A 133 11.255 -3.066 -4.326 1.00 1.39 H new ATOM 0 HE1 MET A 133 12.390 -3.538 -1.011 1.00 2.47 H new ATOM 0 HE2 MET A 133 10.658 -3.211 -1.259 1.00 2.47 H new ATOM 0 HE3 MET A 133 11.592 -4.060 -2.514 1.00 2.47 H new ATOM 1778 N GLU A 134 14.451 0.407 -4.012 1.00 1.00 N ATOM 1779 CA GLU A 134 15.089 1.073 -2.881 1.00 0.98 C ATOM 1780 C GLU A 134 14.795 2.569 -2.905 1.00 0.85 C ATOM 1781 O GLU A 134 14.247 3.122 -1.951 1.00 0.92 O ATOM 1782 CB GLU A 134 16.600 0.836 -2.908 1.00 1.17 C ATOM 1783 CG GLU A 134 17.004 -0.561 -2.467 1.00 1.00 C ATOM 1784 CD GLU A 134 18.487 -0.822 -2.644 1.00 1.57 C ATOM 1785 OE1 GLU A 134 19.278 0.134 -2.506 1.00 2.11 O ATOM 1786 OE2 GLU A 134 18.856 -1.982 -2.922 1.00 2.40 O ATOM 0 H GLU A 134 15.066 -0.216 -4.536 1.00 1.00 H new ATOM 0 HA GLU A 134 14.682 0.652 -1.961 1.00 0.98 H new ATOM 0 HB2 GLU A 134 16.969 1.010 -3.919 1.00 1.17 H new ATOM 0 HB3 GLU A 134 17.086 1.567 -2.261 1.00 1.17 H new ATOM 0 HG2 GLU A 134 16.737 -0.699 -1.419 1.00 1.00 H new ATOM 0 HG3 GLU A 134 16.439 -1.296 -3.039 1.00 1.00 H new ATOM 1793 N SER A 135 15.151 3.215 -4.011 1.00 0.80 N ATOM 1794 CA SER A 135 14.911 4.642 -4.166 1.00 0.84 C ATOM 1795 C SER A 135 13.416 4.933 -4.111 1.00 0.80 C ATOM 1796 O SER A 135 12.991 5.958 -3.582 1.00 0.82 O ATOM 1797 CB SER A 135 15.494 5.140 -5.490 1.00 0.97 C ATOM 1798 OG SER A 135 15.235 6.521 -5.674 1.00 1.29 O ATOM 0 H SER A 135 15.605 2.773 -4.810 1.00 0.80 H new ATOM 0 HA SER A 135 15.403 5.167 -3.348 1.00 0.84 H new ATOM 0 HB2 SER A 135 16.569 4.963 -5.507 1.00 0.97 H new ATOM 0 HB3 SER A 135 15.065 4.573 -6.316 1.00 0.97 H new ATOM 0 HG SER A 135 15.619 6.815 -6.526 1.00 1.29 H new ATOM 1804 N LEU A 136 12.624 4.014 -4.657 1.00 0.81 N ATOM 1805 CA LEU A 136 11.173 4.161 -4.669 1.00 0.87 C ATOM 1806 C LEU A 136 10.631 4.290 -3.250 1.00 0.73 C ATOM 1807 O LEU A 136 10.017 5.295 -2.900 1.00 0.85 O ATOM 1808 CB LEU A 136 10.525 2.962 -5.376 1.00 0.98 C ATOM 1809 CG LEU A 136 9.026 3.091 -5.679 1.00 1.16 C ATOM 1810 CD1 LEU A 136 8.195 2.612 -4.498 1.00 1.17 C ATOM 1811 CD2 LEU A 136 8.664 4.524 -6.043 1.00 1.73 C ATOM 0 H LEU A 136 12.964 3.159 -5.097 1.00 0.81 H new ATOM 0 HA LEU A 136 10.925 5.071 -5.215 1.00 0.87 H new ATOM 0 HB2 LEU A 136 11.052 2.790 -6.315 1.00 0.98 H new ATOM 0 HB3 LEU A 136 10.676 2.076 -4.759 1.00 0.98 H new ATOM 0 HG LEU A 136 8.801 2.457 -6.537 1.00 1.16 H new ATOM 0 HD11 LEU A 136 7.136 2.712 -4.734 1.00 1.17 H new ATOM 0 HD12 LEU A 136 8.424 1.566 -4.292 1.00 1.17 H new ATOM 0 HD13 LEU A 136 8.430 3.214 -3.620 1.00 1.17 H new ATOM 0 HD21 LEU A 136 7.596 4.587 -6.253 1.00 1.73 H new ATOM 0 HD22 LEU A 136 8.910 5.184 -5.211 1.00 1.73 H new ATOM 0 HD23 LEU A 136 9.226 4.828 -6.926 1.00 1.73 H new ATOM 1817 N GLU A 137 10.865 3.269 -2.434 1.00 0.57 N ATOM 1818 CA GLU A 137 10.396 3.278 -1.051 1.00 0.51 C ATOM 1819 C GLU A 137 11.124 4.338 -0.231 1.00 0.52 C ATOM 1820 O GLU A 137 10.562 4.909 0.706 1.00 0.53 O ATOM 1821 CB GLU A 137 10.594 1.897 -0.419 1.00 0.52 C ATOM 1822 CG GLU A 137 10.202 1.833 1.048 1.00 1.16 C ATOM 1823 CD GLU A 137 11.384 2.039 1.976 1.00 1.87 C ATOM 1824 OE1 GLU A 137 12.397 1.327 1.813 1.00 2.45 O ATOM 1825 OE2 GLU A 137 11.297 2.912 2.864 1.00 2.54 O ATOM 0 H GLU A 137 11.374 2.427 -2.703 1.00 0.57 H new ATOM 0 HA GLU A 137 9.334 3.522 -1.055 1.00 0.51 H new ATOM 0 HB2 GLU A 137 10.007 1.166 -0.975 1.00 0.52 H new ATOM 0 HB3 GLU A 137 11.640 1.608 -0.519 1.00 0.52 H new ATOM 0 HG2 GLU A 137 9.447 2.593 1.252 1.00 1.16 H new ATOM 0 HG3 GLU A 137 9.745 0.866 1.257 1.00 1.16 H new ATOM 1832 N THR A 138 12.377 4.589 -0.585 1.00 0.57 N ATOM 1833 CA THR A 138 13.188 5.570 0.121 1.00 0.67 C ATOM 1834 C THR A 138 12.683 6.995 -0.113 1.00 0.69 C ATOM 1835 O THR A 138 12.695 7.821 0.799 1.00 0.77 O ATOM 1836 CB THR A 138 14.648 5.452 -0.321 1.00 0.82 C ATOM 1837 OG1 THR A 138 15.200 4.217 0.100 1.00 0.85 O ATOM 1838 CG2 THR A 138 15.530 6.554 0.219 1.00 1.10 C ATOM 0 H THR A 138 12.854 4.126 -1.358 1.00 0.57 H new ATOM 0 HA THR A 138 13.111 5.362 1.188 1.00 0.67 H new ATOM 0 HB THR A 138 14.626 5.527 -1.408 1.00 0.82 H new ATOM 0 HG1 THR A 138 15.207 3.588 -0.652 1.00 0.85 H new ATOM 0 HG21 THR A 138 16.551 6.408 -0.133 1.00 1.10 H new ATOM 0 HG22 THR A 138 15.160 7.519 -0.128 1.00 1.10 H new ATOM 0 HG23 THR A 138 15.516 6.531 1.309 1.00 1.10 H new ATOM 1843 N GLN A 139 12.257 7.284 -1.337 1.00 0.70 N ATOM 1844 CA GLN A 139 11.770 8.619 -1.676 1.00 0.79 C ATOM 1845 C GLN A 139 10.446 8.933 -0.984 1.00 0.67 C ATOM 1846 O GLN A 139 10.201 10.074 -0.592 1.00 0.67 O ATOM 1847 CB GLN A 139 11.611 8.760 -3.190 1.00 0.92 C ATOM 1848 CG GLN A 139 12.209 10.041 -3.748 1.00 1.04 C ATOM 1849 CD GLN A 139 13.006 9.809 -5.017 1.00 1.29 C ATOM 1850 OE1 GLN A 139 13.843 8.908 -5.082 1.00 2.28 O ATOM 1851 NE2 GLN A 139 12.749 10.622 -6.035 1.00 1.28 N ATOM 0 H GLN A 139 12.238 6.617 -2.109 1.00 0.70 H new ATOM 0 HA GLN A 139 12.512 9.335 -1.322 1.00 0.79 H new ATOM 0 HB2 GLN A 139 12.082 7.907 -3.677 1.00 0.92 H new ATOM 0 HB3 GLN A 139 10.551 8.725 -3.440 1.00 0.92 H new ATOM 0 HG2 GLN A 139 11.409 10.753 -3.951 1.00 1.04 H new ATOM 0 HG3 GLN A 139 12.855 10.494 -2.996 1.00 1.04 H new ATOM 0 HE21 GLN A 139 12.047 11.355 -5.937 1.00 1.28 H new ATOM 0 HE22 GLN A 139 13.254 10.513 -6.915 1.00 1.28 H new ATOM 1858 N ILE A 140 9.592 7.928 -0.836 1.00 0.60 N ATOM 1859 CA ILE A 140 8.298 8.132 -0.188 1.00 0.52 C ATOM 1860 C ILE A 140 8.425 8.027 1.328 1.00 0.47 C ATOM 1861 O ILE A 140 7.746 8.740 2.066 1.00 0.48 O ATOM 1862 CB ILE A 140 7.209 7.135 -0.674 1.00 0.49 C ATOM 1863 CG1 ILE A 140 7.769 6.148 -1.703 1.00 0.57 C ATOM 1864 CG2 ILE A 140 6.022 7.892 -1.256 1.00 0.52 C ATOM 1865 CD1 ILE A 140 6.717 5.254 -2.324 1.00 1.12 C ATOM 0 H ILE A 140 9.767 6.974 -1.151 1.00 0.60 H new ATOM 0 HA ILE A 140 7.981 9.136 -0.469 1.00 0.52 H new ATOM 0 HB ILE A 140 6.875 6.560 0.189 1.00 0.49 H new ATOM 0 HG12 ILE A 140 8.271 6.706 -2.493 1.00 0.57 H new ATOM 0 HG13 ILE A 140 8.524 5.526 -1.223 1.00 0.57 H new ATOM 0 HG21 ILE A 140 5.267 7.182 -1.592 1.00 0.52 H new ATOM 0 HG22 ILE A 140 5.594 8.541 -0.492 1.00 0.52 H new ATOM 0 HG23 ILE A 140 6.354 8.496 -2.101 1.00 0.52 H new ATOM 0 HD11 ILE A 140 7.188 4.583 -3.042 1.00 1.12 H new ATOM 0 HD12 ILE A 140 6.231 4.668 -1.544 1.00 1.12 H new ATOM 0 HD13 ILE A 140 5.974 5.867 -2.834 1.00 1.12 H new ATOM 1869 N MET A 141 9.290 7.129 1.787 1.00 0.47 N ATOM 1870 CA MET A 141 9.490 6.932 3.218 1.00 0.51 C ATOM 1871 C MET A 141 10.518 7.910 3.786 1.00 0.62 C ATOM 1872 O MET A 141 10.253 8.591 4.777 1.00 0.71 O ATOM 1873 CB MET A 141 9.926 5.492 3.497 1.00 0.51 C ATOM 1874 CG MET A 141 8.872 4.456 3.135 1.00 0.53 C ATOM 1875 SD MET A 141 7.273 4.788 3.901 1.00 1.02 S ATOM 1876 CE MET A 141 6.373 5.478 2.515 1.00 0.44 C ATOM 0 H MET A 141 9.861 6.529 1.192 1.00 0.47 H new ATOM 0 HA MET A 141 8.538 7.125 3.714 1.00 0.51 H new ATOM 0 HB2 MET A 141 10.837 5.282 2.937 1.00 0.51 H new ATOM 0 HB3 MET A 141 10.172 5.394 4.554 1.00 0.51 H new ATOM 0 HG2 MET A 141 8.752 4.429 2.052 1.00 0.53 H new ATOM 0 HG3 MET A 141 9.219 3.469 3.442 1.00 0.53 H new ATOM 0 HE1 MET A 141 5.789 6.335 2.851 1.00 0.44 H new ATOM 0 HE2 MET A 141 7.077 5.798 1.747 1.00 0.44 H new ATOM 0 HE3 MET A 141 5.705 4.722 2.103 1.00 0.44 H new ATOM 1886 N GLN A 142 11.692 7.969 3.165 1.00 0.66 N ATOM 1887 CA GLN A 142 12.755 8.858 3.628 1.00 0.79 C ATOM 1888 C GLN A 142 12.619 10.257 3.035 1.00 0.80 C ATOM 1889 O GLN A 142 12.791 11.255 3.735 1.00 0.85 O ATOM 1890 CB GLN A 142 14.125 8.274 3.275 1.00 0.90 C ATOM 1891 CG GLN A 142 14.258 6.797 3.605 1.00 1.34 C ATOM 1892 CD GLN A 142 15.666 6.416 4.020 1.00 1.47 C ATOM 1893 OE1 GLN A 142 16.316 7.132 4.781 1.00 1.64 O ATOM 1894 NE2 GLN A 142 16.144 5.283 3.519 1.00 1.85 N ATOM 0 H GLN A 142 11.932 7.415 2.343 1.00 0.66 H new ATOM 0 HA GLN A 142 12.664 8.942 4.711 1.00 0.79 H new ATOM 0 HB2 GLN A 142 14.309 8.418 2.210 1.00 0.90 H new ATOM 0 HB3 GLN A 142 14.896 8.828 3.810 1.00 0.90 H new ATOM 0 HG2 GLN A 142 13.566 6.544 4.408 1.00 1.34 H new ATOM 0 HG3 GLN A 142 13.967 6.207 2.736 1.00 1.34 H new ATOM 0 HE21 GLN A 142 15.570 4.720 2.891 1.00 1.85 H new ATOM 0 HE22 GLN A 142 17.086 4.975 3.762 1.00 1.85 H new ATOM 1901 N GLY A 143 12.318 10.326 1.741 1.00 0.79 N ATOM 1902 CA GLY A 143 12.174 11.612 1.076 1.00 0.84 C ATOM 1903 C GLY A 143 11.327 12.597 1.862 1.00 0.81 C ATOM 1904 O GLY A 143 11.513 13.809 1.753 1.00 1.05 O ATOM 0 H GLY A 143 12.171 9.515 1.140 1.00 0.79 H new ATOM 0 HA2 GLY A 143 13.162 12.042 0.911 1.00 0.84 H new ATOM 0 HA3 GLY A 143 11.726 11.459 0.094 1.00 0.84 H new ATOM 1908 N LEU A 144 10.396 12.078 2.655 1.00 0.75 N ATOM 1909 CA LEU A 144 9.523 12.924 3.461 1.00 0.72 C ATOM 1910 C LEU A 144 9.950 12.911 4.925 1.00 0.87 C ATOM 1911 O LEU A 144 9.712 13.870 5.660 1.00 1.01 O ATOM 1912 CB LEU A 144 8.070 12.461 3.337 1.00 0.62 C ATOM 1913 CG LEU A 144 7.447 12.645 1.950 1.00 0.66 C ATOM 1914 CD1 LEU A 144 7.364 11.313 1.221 1.00 0.58 C ATOM 1915 CD2 LEU A 144 6.068 13.279 2.063 1.00 0.81 C ATOM 0 H LEU A 144 10.226 11.077 2.757 1.00 0.75 H new ATOM 0 HA LEU A 144 9.604 13.945 3.087 1.00 0.72 H new ATOM 0 HB2 LEU A 144 8.017 11.406 3.605 1.00 0.62 H new ATOM 0 HB3 LEU A 144 7.468 13.006 4.064 1.00 0.62 H new ATOM 0 HG LEU A 144 8.086 13.313 1.373 1.00 0.66 H new ATOM 0 HD11 LEU A 144 6.919 11.464 0.238 1.00 0.58 H new ATOM 0 HD12 LEU A 144 8.365 10.898 1.106 1.00 0.58 H new ATOM 0 HD13 LEU A 144 6.748 10.621 1.796 1.00 0.58 H new ATOM 0 HD21 LEU A 144 5.641 13.402 1.068 1.00 0.81 H new ATOM 0 HD22 LEU A 144 5.420 12.636 2.659 1.00 0.81 H new ATOM 0 HD23 LEU A 144 6.154 14.254 2.544 1.00 0.81 H new ATOM 1921 N GLY A 145 10.579 11.818 5.345 1.00 0.91 N ATOM 1922 CA GLY A 145 11.026 11.703 6.721 1.00 1.11 C ATOM 1923 C GLY A 145 9.870 11.600 7.695 1.00 1.11 C ATOM 1924 O GLY A 145 9.703 12.456 8.564 1.00 1.24 O ATOM 0 H GLY A 145 10.787 11.010 4.758 1.00 0.91 H new ATOM 0 HA2 GLY A 145 11.662 10.824 6.822 1.00 1.11 H new ATOM 0 HA3 GLY A 145 11.637 12.569 6.976 1.00 1.11 H new ATOM 1928 N PHE A 146 9.068 10.551 7.547 1.00 1.15 N ATOM 1929 CA PHE A 146 7.918 10.339 8.417 1.00 1.25 C ATOM 1930 C PHE A 146 8.363 10.055 9.849 1.00 1.47 C ATOM 1931 O PHE A 146 7.871 10.677 10.788 1.00 99.99 O ATOM 1932 CB PHE A 146 7.066 9.182 7.895 1.00 1.63 C ATOM 1933 CG PHE A 146 6.557 9.396 6.499 1.00 1.09 C ATOM 1934 CD1 PHE A 146 6.021 10.618 6.123 1.00 1.15 C ATOM 1935 CD2 PHE A 146 6.615 8.378 5.562 1.00 1.74 C ATOM 1936 CE1 PHE A 146 5.552 10.818 4.839 1.00 1.15 C ATOM 1937 CE2 PHE A 146 6.148 8.572 4.277 1.00 1.65 C ATOM 1938 CZ PHE A 146 5.615 9.794 3.915 1.00 0.93 C ATOM 0 H PHE A 146 9.194 9.834 6.832 1.00 1.15 H new ATOM 0 HA PHE A 146 7.320 11.250 8.417 1.00 1.25 H new ATOM 0 HB2 PHE A 146 7.656 8.266 7.922 1.00 1.63 H new ATOM 0 HB3 PHE A 146 6.218 9.035 8.564 1.00 1.63 H new ATOM 0 HD1 PHE A 146 5.970 11.422 6.842 1.00 1.15 H new ATOM 0 HD2 PHE A 146 7.031 7.421 5.840 1.00 1.74 H new ATOM 0 HE1 PHE A 146 5.136 11.775 4.558 1.00 1.15 H new ATOM 0 HE2 PHE A 146 6.199 7.770 3.556 1.00 1.65 H new ATOM 0 HZ PHE A 146 5.248 9.948 2.911 1.00 0.93 H new TER 1948 PHE A 146