USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 669 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 51 CYS SG : rot 180:sc= -0.147 USER MOD Set 1.2: A 52 MET CE :methyl 168:sc= -0.109 (180deg=-0.411) USER MOD Set 2.1: A 33 LYS NZ :NH3+ 159:sc= 0.59 (180deg=0) USER MOD Set 2.2: A 53 GLN : amide:sc= -2.29! K(o=-1.7!,f=-3.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.0088) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HE2:sc= 1.15 K(o=1.2,f=-5.7!) USER MOD Single : A 6 HIS : no HD1:sc= -0.0066 X(o=-0.0066,f=-0.0066) USER MOD Single : A 7 HIS : no HD1:sc= -0.0349 X(o=-0.035,f=0) USER MOD Single : A 13 ASN : amide:sc= 0.153 K(o=0.15,f=-6!) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -134:sc= -0.261 (180deg=-1.69) USER MOD Single : A 23 LYS NZ :NH3+ 168:sc= -0.02 (180deg=-0.195) USER MOD Single : A 24 ASN : amide:sc= -1.51 K(o=-1.5,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0176) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 40 ASN : amide:sc= -0.737 K(o=-0.74,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0396) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 90:sc= -0.124 USER MOD Single : A 47 GLN : amide:sc= -0.747 K(o=-0.75,f=-1.6) USER MOD Single : A 48 CYS SG : rot 20:sc= -4.57! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 42:sc= 1.27 USER MOD Single : A 57 CYS SG : rot -54:sc= -1.41 USER MOD Single : A 58 THR OG1 : rot -21:sc= 0.211 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot -1:sc= -1.04! USER MOD Single : A 67 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-4.4!) USER MOD Single : A 71 LYS NZ :NH3+ -142:sc= 0.212 (180deg=-0.131) USER MOD Single : A 72 HIS : no HD1:sc= -2.41 X(o=-2.4,f=-2.3!) USER MOD Single : A 74 LYS NZ :NH3+ -129:sc= 1.19 (180deg=-0.525) USER MOD Single : A 80 CYS SG : rot -87:sc= 0.256 USER MOD Single : A 83 HIS : no HD1:sc= -0.735 K(o=-0.74,f=-1.5!) USER MOD Single : A 85 LYS NZ :NH3+ -177:sc= 1.1 (180deg=1.01) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 39.912 -3.146 6.169 1.00 19.14 N ATOM 2 CA GLY A 1 38.552 -2.779 6.594 1.00 18.53 C ATOM 3 C GLY A 1 37.565 -3.913 6.409 1.00 18.04 C ATOM 4 O GLY A 1 36.904 -4.330 7.364 1.00 17.99 O ATOM 0 H1 GLY A 1 40.551 -2.338 6.315 1.00 19.14 H new ATOM 0 H2 GLY A 1 40.244 -3.956 6.730 1.00 19.14 H new ATOM 0 H3 GLY A 1 39.903 -3.403 5.161 1.00 19.14 H new ATOM 0 HA2 GLY A 1 38.569 -2.483 7.643 1.00 18.53 H new ATOM 0 HA3 GLY A 1 38.217 -1.912 6.024 1.00 18.53 H new ATOM 10 N HIS A 2 37.457 -4.404 5.172 1.00 17.81 N ATOM 11 CA HIS A 2 36.535 -5.492 4.754 1.00 17.49 C ATOM 12 C HIS A 2 35.066 -5.017 4.780 1.00 16.98 C ATOM 13 O HIS A 2 34.347 -5.161 3.804 1.00 17.17 O ATOM 14 CB HIS A 2 36.755 -6.805 5.561 1.00 17.97 C ATOM 15 CG HIS A 2 36.041 -8.028 5.014 1.00 18.64 C ATOM 16 ND1 HIS A 2 36.683 -8.991 4.294 1.00 19.07 N ATOM 17 CD2 HIS A 2 34.766 -8.457 5.130 1.00 19.08 C ATOM 18 CE1 HIS A 2 35.864 -9.951 3.989 1.00 19.72 C ATOM 19 NE2 HIS A 2 34.686 -9.660 4.480 1.00 19.74 N ATOM 0 H HIS A 2 38.022 -4.051 4.400 1.00 17.81 H new ATOM 0 HA HIS A 2 36.775 -5.741 3.720 1.00 17.49 H new ATOM 0 HB2 HIS A 2 37.824 -7.015 5.598 1.00 17.97 H new ATOM 0 HB3 HIS A 2 36.426 -6.641 6.587 1.00 17.97 H new ATOM 0 HD2 HIS A 2 33.961 -7.948 5.639 1.00 19.08 H new ATOM 0 HE1 HIS A 2 36.112 -10.839 3.426 1.00 19.72 H new ATOM 0 HE2 HIS A 2 33.847 -10.234 4.393 1.00 19.74 H new ATOM 28 N HIS A 3 34.634 -4.459 5.896 1.00 16.46 N ATOM 29 CA HIS A 3 33.312 -3.853 5.966 1.00 16.07 C ATOM 30 C HIS A 3 33.450 -2.384 5.615 1.00 15.28 C ATOM 31 O HIS A 3 34.470 -1.775 5.921 1.00 15.31 O ATOM 32 CB HIS A 3 32.628 -4.040 7.377 1.00 16.31 C ATOM 33 CG HIS A 3 33.361 -3.466 8.589 1.00 16.79 C ATOM 34 ND1 HIS A 3 33.621 -4.207 9.709 1.00 17.14 N ATOM 35 CD2 HIS A 3 33.826 -2.212 8.867 1.00 17.13 C ATOM 36 CE1 HIS A 3 34.210 -3.457 10.619 1.00 17.67 C ATOM 37 NE2 HIS A 3 34.345 -2.244 10.137 1.00 17.67 N ATOM 0 H HIS A 3 35.172 -4.411 6.761 1.00 16.46 H new ATOM 0 HA HIS A 3 32.657 -4.356 5.255 1.00 16.07 H new ATOM 0 HB2 HIS A 3 31.638 -3.587 7.335 1.00 16.31 H new ATOM 0 HB3 HIS A 3 32.483 -5.107 7.544 1.00 16.31 H new ATOM 0 HD2 HIS A 3 33.792 -1.355 8.210 1.00 17.13 H new ATOM 0 HE1 HIS A 3 34.528 -3.786 11.597 1.00 17.67 H new ATOM 0 HE2 HIS A 3 34.767 -1.454 10.626 1.00 17.67 H new ATOM 46 N HIS A 4 32.472 -1.822 4.962 1.00 14.74 N ATOM 47 CA HIS A 4 32.539 -0.398 4.615 1.00 14.10 C ATOM 48 C HIS A 4 31.335 0.369 5.087 1.00 13.70 C ATOM 49 O HIS A 4 31.444 1.529 5.432 1.00 14.01 O ATOM 50 CB HIS A 4 32.798 -0.162 3.120 1.00 13.88 C ATOM 51 CG HIS A 4 34.163 -0.586 2.662 1.00 13.85 C ATOM 52 ND1 HIS A 4 35.258 0.257 2.671 1.00 14.10 N ATOM 53 CD2 HIS A 4 34.608 -1.772 2.179 1.00 13.80 C ATOM 54 CE1 HIS A 4 36.312 -0.393 2.213 1.00 14.18 C ATOM 55 NE2 HIS A 4 35.946 -1.629 1.912 1.00 14.00 N ATOM 0 H HIS A 4 31.626 -2.303 4.656 1.00 14.74 H new ATOM 0 HA HIS A 4 33.402 -0.007 5.154 1.00 14.10 H new ATOM 0 HB2 HIS A 4 32.048 -0.702 2.542 1.00 13.88 H new ATOM 0 HB3 HIS A 4 32.666 0.898 2.902 1.00 13.88 H new ATOM 0 HD2 HIS A 4 34.018 -2.665 2.032 1.00 13.80 H new ATOM 0 HE1 HIS A 4 37.306 0.015 2.103 1.00 14.18 H new ATOM 0 HE2 HIS A 4 36.558 -2.356 1.542 1.00 14.00 H new ATOM 64 N HIS A 5 30.184 -0.269 5.106 1.00 13.18 N ATOM 65 CA HIS A 5 28.971 0.385 5.565 1.00 12.93 C ATOM 66 C HIS A 5 28.167 -0.580 6.393 1.00 12.32 C ATOM 67 O HIS A 5 28.467 -1.770 6.425 1.00 12.40 O ATOM 68 CB HIS A 5 28.103 0.867 4.390 1.00 13.06 C ATOM 69 CG HIS A 5 28.753 1.879 3.491 1.00 13.43 C ATOM 70 ND1 HIS A 5 29.181 1.572 2.235 1.00 13.64 N ATOM 71 CD2 HIS A 5 29.015 3.190 3.665 1.00 13.81 C ATOM 72 CE1 HIS A 5 29.674 2.644 1.659 1.00 14.12 C ATOM 73 NE2 HIS A 5 29.588 3.648 2.510 1.00 14.24 N ATOM 0 H HIS A 5 30.060 -1.237 4.810 1.00 13.18 H new ATOM 0 HA HIS A 5 29.265 1.253 6.155 1.00 12.93 H new ATOM 0 HB2 HIS A 5 27.817 0.002 3.791 1.00 13.06 H new ATOM 0 HB3 HIS A 5 27.184 1.296 4.789 1.00 13.06 H new ATOM 0 HD1 HIS A 5 29.127 0.648 1.806 1.00 13.64 H new ATOM 0 HD2 HIS A 5 28.810 3.771 4.552 1.00 13.81 H new ATOM 0 HE1 HIS A 5 30.080 2.695 0.660 1.00 14.12 H new ATOM 82 N HIS A 6 27.158 -0.060 7.069 1.00 11.88 N ATOM 83 CA HIS A 6 26.267 -0.889 7.859 1.00 11.42 C ATOM 84 C HIS A 6 25.130 -1.401 6.972 1.00 10.42 C ATOM 85 O HIS A 6 24.415 -2.325 7.332 1.00 10.22 O ATOM 86 CB HIS A 6 25.726 -0.091 9.070 1.00 11.97 C ATOM 87 CG HIS A 6 24.833 -0.876 10.008 1.00 12.55 C ATOM 88 ND1 HIS A 6 23.502 -0.562 10.231 1.00 12.82 N ATOM 89 CD2 HIS A 6 25.097 -1.938 10.810 1.00 13.11 C ATOM 90 CE1 HIS A 6 23.006 -1.383 11.125 1.00 13.49 C ATOM 91 NE2 HIS A 6 23.941 -2.221 11.492 1.00 13.67 N ATOM 0 H HIS A 6 26.935 0.935 7.086 1.00 11.88 H new ATOM 0 HA HIS A 6 26.813 -1.748 8.249 1.00 11.42 H new ATOM 0 HB2 HIS A 6 26.572 0.296 9.638 1.00 11.97 H new ATOM 0 HB3 HIS A 6 25.170 0.770 8.699 1.00 11.97 H new ATOM 0 HD2 HIS A 6 26.038 -2.461 10.895 1.00 13.11 H new ATOM 0 HE1 HIS A 6 21.992 -1.370 11.497 1.00 13.49 H new ATOM 0 HE2 HIS A 6 23.828 -2.968 12.178 1.00 13.67 H new ATOM 100 N HIS A 7 24.988 -0.805 5.807 1.00 9.98 N ATOM 101 CA HIS A 7 23.957 -1.223 4.874 1.00 9.18 C ATOM 102 C HIS A 7 24.588 -2.027 3.767 1.00 9.04 C ATOM 103 O HIS A 7 25.694 -1.728 3.377 1.00 9.71 O ATOM 104 CB HIS A 7 23.140 -0.012 4.281 1.00 9.12 C ATOM 105 CG HIS A 7 23.898 0.975 3.388 1.00 9.44 C ATOM 106 ND1 HIS A 7 24.151 2.283 3.755 1.00 9.56 N ATOM 107 CD2 HIS A 7 24.369 0.858 2.112 1.00 9.92 C ATOM 108 CE1 HIS A 7 24.733 2.924 2.756 1.00 10.08 C ATOM 109 NE2 HIS A 7 24.883 2.086 1.746 1.00 10.30 N ATOM 0 H HIS A 7 25.570 -0.033 5.482 1.00 9.98 H new ATOM 0 HA HIS A 7 23.241 -1.835 5.423 1.00 9.18 H new ATOM 0 HB2 HIS A 7 22.307 -0.416 3.706 1.00 9.12 H new ATOM 0 HB3 HIS A 7 22.712 0.546 5.114 1.00 9.12 H new ATOM 0 HD2 HIS A 7 24.344 -0.032 1.501 1.00 9.92 H new ATOM 0 HE1 HIS A 7 25.036 3.961 2.764 1.00 10.08 H new ATOM 0 HE2 HIS A 7 25.308 2.309 0.846 1.00 10.30 H new ATOM 118 N LEU A 8 23.881 -3.049 3.306 1.00 8.37 N ATOM 119 CA LEU A 8 24.287 -3.912 2.178 1.00 8.37 C ATOM 120 C LEU A 8 25.494 -4.804 2.555 1.00 8.86 C ATOM 121 O LEU A 8 25.313 -6.010 2.765 1.00 9.23 O ATOM 122 CB LEU A 8 24.511 -3.077 0.863 1.00 9.01 C ATOM 123 CG LEU A 8 24.649 -3.826 -0.506 1.00 9.38 C ATOM 124 CD1 LEU A 8 24.709 -2.817 -1.644 1.00 9.11 C ATOM 125 CD2 LEU A 8 25.891 -4.715 -0.575 1.00 10.10 C ATOM 0 H LEU A 8 22.983 -3.318 3.709 1.00 8.37 H new ATOM 0 HA LEU A 8 23.466 -4.595 1.960 1.00 8.37 H new ATOM 0 HB2 LEU A 8 23.679 -2.379 0.772 1.00 9.01 H new ATOM 0 HB3 LEU A 8 25.413 -2.481 1.003 1.00 9.01 H new ATOM 0 HG LEU A 8 23.773 -4.468 -0.599 1.00 9.38 H new ATOM 0 HD11 LEU A 8 24.805 -3.344 -2.593 1.00 9.11 H new ATOM 0 HD12 LEU A 8 23.796 -2.221 -1.651 1.00 9.11 H new ATOM 0 HD13 LEU A 8 25.569 -2.162 -1.504 1.00 9.11 H new ATOM 0 HD21 LEU A 8 25.932 -5.208 -1.546 1.00 10.10 H new ATOM 0 HD22 LEU A 8 26.784 -4.104 -0.440 1.00 10.10 H new ATOM 0 HD23 LEU A 8 25.844 -5.468 0.212 1.00 10.10 H new ATOM 137 N GLU A 9 26.703 -4.215 2.672 1.00 9.12 N ATOM 138 CA GLU A 9 27.956 -4.976 2.972 1.00 9.86 C ATOM 139 C GLU A 9 27.876 -5.756 4.295 1.00 9.89 C ATOM 140 O GLU A 9 28.671 -6.684 4.527 1.00 10.56 O ATOM 141 CB GLU A 9 29.232 -4.094 2.986 1.00 10.56 C ATOM 142 CG GLU A 9 29.536 -3.313 1.711 1.00 11.13 C ATOM 143 CD GLU A 9 28.705 -2.048 1.564 1.00 11.53 C ATOM 144 OE1 GLU A 9 27.585 -2.113 1.075 1.00 11.70 O ATOM 145 OE2 GLU A 9 29.199 -0.969 1.947 1.00 11.87 O ATOM 0 H GLU A 9 26.848 -3.211 2.564 1.00 9.12 H new ATOM 0 HA GLU A 9 28.039 -5.681 2.145 1.00 9.86 H new ATOM 0 HB2 GLU A 9 29.146 -3.384 3.808 1.00 10.56 H new ATOM 0 HB3 GLU A 9 30.086 -4.734 3.205 1.00 10.56 H new ATOM 0 HG2 GLU A 9 30.593 -3.048 1.700 1.00 11.13 H new ATOM 0 HG3 GLU A 9 29.360 -3.957 0.849 1.00 11.13 H new ATOM 152 N GLY A 10 26.948 -5.371 5.150 1.00 9.36 N ATOM 153 CA GLY A 10 26.751 -6.069 6.397 1.00 9.60 C ATOM 154 C GLY A 10 25.288 -6.371 6.629 1.00 8.87 C ATOM 155 O GLY A 10 24.788 -6.299 7.757 1.00 9.04 O ATOM 0 H GLY A 10 26.322 -4.580 5.001 1.00 9.36 H new ATOM 0 HA2 GLY A 10 27.320 -6.998 6.390 1.00 9.60 H new ATOM 0 HA3 GLY A 10 27.135 -5.466 7.219 1.00 9.60 H new ATOM 159 N GLY A 11 24.589 -6.700 5.550 1.00 8.30 N ATOM 160 CA GLY A 11 23.168 -6.967 5.642 1.00 7.80 C ATOM 161 C GLY A 11 22.804 -8.421 5.450 1.00 8.13 C ATOM 162 O GLY A 11 21.657 -8.819 5.688 1.00 8.45 O ATOM 0 H GLY A 11 24.982 -6.787 4.613 1.00 8.30 H new ATOM 0 HA2 GLY A 11 22.809 -6.639 6.617 1.00 7.80 H new ATOM 0 HA3 GLY A 11 22.647 -6.370 4.893 1.00 7.80 H new ATOM 166 N GLY A 12 23.766 -9.209 5.031 1.00 8.34 N ATOM 167 CA GLY A 12 23.528 -10.620 4.787 1.00 8.95 C ATOM 168 C GLY A 12 24.340 -11.045 3.620 1.00 8.79 C ATOM 169 O GLY A 12 24.912 -12.136 3.596 1.00 9.24 O ATOM 0 H GLY A 12 24.722 -8.901 4.851 1.00 8.34 H new ATOM 0 HA2 GLY A 12 23.795 -11.206 5.667 1.00 8.95 H new ATOM 0 HA3 GLY A 12 22.470 -10.797 4.595 1.00 8.95 H new ATOM 173 N ASN A 13 24.405 -10.139 2.661 1.00 8.39 N ATOM 174 CA ASN A 13 25.238 -10.244 1.460 1.00 8.53 C ATOM 175 C ASN A 13 24.815 -11.383 0.531 1.00 9.29 C ATOM 176 O ASN A 13 24.156 -11.144 -0.472 1.00 9.68 O ATOM 177 CB ASN A 13 26.749 -10.358 1.819 1.00 8.84 C ATOM 178 CG ASN A 13 27.263 -9.200 2.695 1.00 9.25 C ATOM 179 OD1 ASN A 13 26.524 -8.621 3.506 1.00 9.50 O ATOM 180 ND2 ASN A 13 28.525 -8.862 2.550 1.00 9.58 N ATOM 0 H ASN A 13 23.862 -9.276 2.691 1.00 8.39 H new ATOM 0 HA ASN A 13 25.082 -9.316 0.910 1.00 8.53 H new ATOM 0 HB2 ASN A 13 26.920 -11.300 2.340 1.00 8.84 H new ATOM 0 HB3 ASN A 13 27.331 -10.392 0.898 1.00 8.84 H new ATOM 0 HD21 ASN A 13 28.919 -8.107 3.112 1.00 9.58 H new ATOM 0 HD22 ASN A 13 29.111 -9.355 1.876 1.00 9.58 H new ATOM 187 N ALA A 14 25.167 -12.620 0.905 1.00 9.70 N ATOM 188 CA ALA A 14 24.908 -13.832 0.123 1.00 10.58 C ATOM 189 C ALA A 14 25.542 -13.779 -1.279 1.00 11.08 C ATOM 190 O ALA A 14 26.154 -12.789 -1.668 1.00 11.12 O ATOM 191 CB ALA A 14 23.405 -14.144 0.039 1.00 10.70 C ATOM 0 H ALA A 14 25.652 -12.808 1.782 1.00 9.70 H new ATOM 0 HA ALA A 14 25.391 -14.649 0.659 1.00 10.58 H new ATOM 0 HB1 ALA A 14 23.254 -15.049 -0.549 1.00 10.70 H new ATOM 0 HB2 ALA A 14 23.008 -14.292 1.043 1.00 10.70 H new ATOM 0 HB3 ALA A 14 22.887 -13.312 -0.437 1.00 10.70 H new ATOM 197 N GLN A 15 25.422 -14.862 -2.027 1.00 11.67 N ATOM 198 CA GLN A 15 25.960 -14.877 -3.380 1.00 12.40 C ATOM 199 C GLN A 15 25.028 -15.573 -4.339 1.00 12.25 C ATOM 200 O GLN A 15 25.384 -15.823 -5.482 1.00 12.05 O ATOM 201 CB GLN A 15 27.379 -15.452 -3.430 1.00 13.27 C ATOM 202 CG GLN A 15 27.493 -16.899 -2.959 1.00 13.75 C ATOM 203 CD GLN A 15 28.923 -17.397 -2.960 1.00 14.68 C ATOM 204 OE1 GLN A 15 29.403 -17.929 -3.956 1.00 15.07 O ATOM 205 NE2 GLN A 15 29.597 -17.227 -1.856 1.00 15.18 N ATOM 0 H GLN A 15 24.968 -15.726 -1.731 1.00 11.67 H new ATOM 0 HA GLN A 15 26.037 -13.840 -3.707 1.00 12.40 H new ATOM 0 HB2 GLN A 15 27.748 -15.386 -4.454 1.00 13.27 H new ATOM 0 HB3 GLN A 15 28.031 -14.831 -2.816 1.00 13.27 H new ATOM 0 HG2 GLN A 15 27.083 -16.984 -1.953 1.00 13.75 H new ATOM 0 HG3 GLN A 15 26.889 -17.537 -3.604 1.00 13.75 H new ATOM 0 HE21 GLN A 15 29.156 -16.779 -1.053 1.00 15.18 H new ATOM 0 HE22 GLN A 15 30.565 -17.542 -1.796 1.00 15.18 H new ATOM 214 N LYS A 16 23.812 -15.840 -3.890 1.00 12.53 N ATOM 215 CA LYS A 16 22.827 -16.404 -4.788 1.00 12.66 C ATOM 216 C LYS A 16 22.058 -15.294 -5.509 1.00 11.86 C ATOM 217 O LYS A 16 21.101 -15.557 -6.228 1.00 12.01 O ATOM 218 CB LYS A 16 21.845 -17.414 -4.113 1.00 12.80 C ATOM 219 CG LYS A 16 22.487 -18.736 -3.626 1.00 13.55 C ATOM 220 CD LYS A 16 22.924 -18.739 -2.158 1.00 14.34 C ATOM 221 CE LYS A 16 21.703 -18.724 -1.229 1.00 15.06 C ATOM 222 NZ LYS A 16 22.051 -18.939 0.190 1.00 15.42 N ATOM 0 H LYS A 16 23.492 -15.679 -2.935 1.00 12.53 H new ATOM 0 HA LYS A 16 23.390 -16.989 -5.515 1.00 12.66 H new ATOM 0 HB2 LYS A 16 21.373 -16.923 -3.262 1.00 12.80 H new ATOM 0 HB3 LYS A 16 21.052 -17.654 -4.822 1.00 12.80 H new ATOM 0 HG2 LYS A 16 21.775 -19.547 -3.779 1.00 13.55 H new ATOM 0 HG3 LYS A 16 23.355 -18.952 -4.249 1.00 13.55 H new ATOM 0 HD2 LYS A 16 23.530 -19.622 -1.956 1.00 14.34 H new ATOM 0 HD3 LYS A 16 23.550 -17.870 -1.958 1.00 14.34 H new ATOM 0 HE2 LYS A 16 21.189 -17.768 -1.330 1.00 15.06 H new ATOM 0 HE3 LYS A 16 21.003 -19.497 -1.546 1.00 15.06 H new ATOM 0 HZ1 LYS A 16 21.186 -18.918 0.767 1.00 15.42 H new ATOM 0 HZ2 LYS A 16 22.516 -19.863 0.297 1.00 15.42 H new ATOM 0 HZ3 LYS A 16 22.696 -18.188 0.507 1.00 15.42 H new ATOM 236 N SER A 17 22.497 -14.038 -5.282 1.00 11.21 N ATOM 237 CA SER A 17 21.950 -12.804 -5.914 1.00 10.50 C ATOM 238 C SER A 17 20.511 -12.450 -5.487 1.00 10.66 C ATOM 239 O SER A 17 20.202 -11.284 -5.223 1.00 10.17 O ATOM 240 CB SER A 17 22.067 -12.868 -7.448 1.00 10.42 C ATOM 241 OG SER A 17 23.424 -13.002 -7.840 1.00 10.72 O ATOM 0 H SER A 17 23.263 -13.842 -4.637 1.00 11.21 H new ATOM 0 HA SER A 17 22.572 -11.991 -5.539 1.00 10.50 H new ATOM 0 HB2 SER A 17 21.488 -13.710 -7.827 1.00 10.42 H new ATOM 0 HB3 SER A 17 21.643 -11.966 -7.888 1.00 10.42 H new ATOM 0 HG SER A 17 23.480 -13.043 -8.818 1.00 10.72 H new ATOM 247 N ALA A 18 19.679 -13.453 -5.399 1.00 11.52 N ATOM 248 CA ALA A 18 18.249 -13.306 -5.096 1.00 11.99 C ATOM 249 C ALA A 18 18.005 -12.570 -3.793 1.00 11.45 C ATOM 250 O ALA A 18 17.442 -11.483 -3.781 1.00 11.42 O ATOM 251 CB ALA A 18 17.569 -14.667 -5.075 1.00 13.14 C ATOM 0 H ALA A 18 19.966 -14.422 -5.536 1.00 11.52 H new ATOM 0 HA ALA A 18 17.814 -12.700 -5.890 1.00 11.99 H new ATOM 0 HB1 ALA A 18 16.510 -14.541 -4.849 1.00 13.14 H new ATOM 0 HB2 ALA A 18 17.678 -15.143 -6.049 1.00 13.14 H new ATOM 0 HB3 ALA A 18 18.031 -15.293 -4.311 1.00 13.14 H new ATOM 257 N MET A 19 18.461 -13.147 -2.704 1.00 11.20 N ATOM 258 CA MET A 19 18.258 -12.542 -1.394 1.00 10.90 C ATOM 259 C MET A 19 19.264 -11.442 -1.120 1.00 9.99 C ATOM 260 O MET A 19 19.113 -10.678 -0.169 1.00 9.63 O ATOM 261 CB MET A 19 18.280 -13.589 -0.278 1.00 11.94 C ATOM 262 CG MET A 19 17.111 -14.559 -0.329 1.00 12.49 C ATOM 263 SD MET A 19 15.509 -13.731 -0.216 1.00 13.40 S ATOM 264 CE MET A 19 15.627 -12.945 1.385 1.00 14.08 C ATOM 0 H MET A 19 18.973 -14.029 -2.692 1.00 11.20 H new ATOM 0 HA MET A 19 17.267 -12.089 -1.407 1.00 10.90 H new ATOM 0 HB2 MET A 19 19.211 -14.152 -0.338 1.00 11.94 H new ATOM 0 HB3 MET A 19 18.277 -13.080 0.686 1.00 11.94 H new ATOM 0 HG2 MET A 19 17.156 -15.127 -1.258 1.00 12.49 H new ATOM 0 HG3 MET A 19 17.203 -15.275 0.487 1.00 12.49 H new ATOM 0 HE1 MET A 19 14.707 -13.117 1.944 1.00 14.08 H new ATOM 0 HE2 MET A 19 16.469 -13.365 1.935 1.00 14.08 H new ATOM 0 HE3 MET A 19 15.777 -11.873 1.254 1.00 14.08 H new ATOM 274 N ALA A 20 20.266 -11.343 -1.987 1.00 9.77 N ATOM 275 CA ALA A 20 21.338 -10.365 -1.842 1.00 9.13 C ATOM 276 C ALA A 20 20.776 -8.955 -1.957 1.00 8.17 C ATOM 277 O ALA A 20 21.047 -8.089 -1.134 1.00 7.84 O ATOM 278 CB ALA A 20 22.400 -10.585 -2.913 1.00 9.45 C ATOM 0 H ALA A 20 20.358 -11.939 -2.810 1.00 9.77 H new ATOM 0 HA ALA A 20 21.794 -10.490 -0.860 1.00 9.13 H new ATOM 0 HB1 ALA A 20 23.195 -9.849 -2.794 1.00 9.45 H new ATOM 0 HB2 ALA A 20 22.816 -11.587 -2.812 1.00 9.45 H new ATOM 0 HB3 ALA A 20 21.950 -10.476 -3.900 1.00 9.45 H new ATOM 284 N ARG A 21 19.955 -8.749 -2.965 1.00 7.98 N ATOM 285 CA ARG A 21 19.354 -7.451 -3.209 1.00 7.29 C ATOM 286 C ARG A 21 17.964 -7.370 -2.615 1.00 7.26 C ATOM 287 O ARG A 21 17.219 -6.418 -2.874 1.00 7.10 O ATOM 288 CB ARG A 21 19.299 -7.156 -4.706 1.00 7.43 C ATOM 289 CG ARG A 21 18.483 -8.160 -5.520 1.00 8.11 C ATOM 290 CD ARG A 21 18.433 -7.776 -6.993 1.00 8.51 C ATOM 291 NE ARG A 21 17.806 -6.455 -7.191 1.00 8.99 N ATOM 292 CZ ARG A 21 17.448 -5.934 -8.379 1.00 9.65 C ATOM 293 NH1 ARG A 21 17.703 -6.591 -9.513 1.00 9.90 N ATOM 294 NH2 ARG A 21 16.874 -4.732 -8.433 1.00 10.29 N ATOM 0 H ARG A 21 19.686 -9.469 -3.635 1.00 7.98 H new ATOM 0 HA ARG A 21 19.979 -6.702 -2.723 1.00 7.29 H new ATOM 0 HB2 ARG A 21 18.878 -6.161 -4.852 1.00 7.43 H new ATOM 0 HB3 ARG A 21 20.316 -7.132 -5.096 1.00 7.43 H new ATOM 0 HG2 ARG A 21 18.919 -9.154 -5.417 1.00 8.11 H new ATOM 0 HG3 ARG A 21 17.470 -8.214 -5.122 1.00 8.11 H new ATOM 0 HD2 ARG A 21 19.444 -7.764 -7.401 1.00 8.51 H new ATOM 0 HD3 ARG A 21 17.875 -8.531 -7.547 1.00 8.51 H new ATOM 0 HE ARG A 21 17.630 -5.891 -6.360 1.00 8.99 H new ATOM 0 HH11 ARG A 21 18.173 -7.496 -9.484 1.00 9.90 H new ATOM 0 HH12 ARG A 21 17.428 -6.188 -10.409 1.00 9.90 H new ATOM 0 HH21 ARG A 21 16.706 -4.208 -7.574 1.00 10.29 H new ATOM 0 HH22 ARG A 21 16.602 -4.337 -9.333 1.00 10.29 H new ATOM 308 N ALA A 22 17.620 -8.347 -1.806 1.00 7.72 N ATOM 309 CA ALA A 22 16.299 -8.394 -1.213 1.00 8.05 C ATOM 310 C ALA A 22 16.341 -8.127 0.274 1.00 7.56 C ATOM 311 O ALA A 22 15.655 -7.249 0.766 1.00 7.73 O ATOM 312 CB ALA A 22 15.630 -9.727 -1.489 1.00 9.15 C ATOM 0 H ALA A 22 18.233 -9.118 -1.543 1.00 7.72 H new ATOM 0 HA ALA A 22 15.710 -7.603 -1.677 1.00 8.05 H new ATOM 0 HB1 ALA A 22 14.640 -9.738 -1.034 1.00 9.15 H new ATOM 0 HB2 ALA A 22 15.536 -9.871 -2.565 1.00 9.15 H new ATOM 0 HB3 ALA A 22 16.233 -10.531 -1.066 1.00 9.15 H new ATOM 318 N LYS A 23 17.168 -8.872 0.988 1.00 7.27 N ATOM 319 CA LYS A 23 17.231 -8.767 2.431 1.00 7.12 C ATOM 320 C LYS A 23 18.147 -7.606 2.842 1.00 6.46 C ATOM 321 O LYS A 23 18.260 -7.277 4.027 1.00 6.78 O ATOM 322 CB LYS A 23 17.807 -10.059 2.990 1.00 8.04 C ATOM 323 CG LYS A 23 17.525 -10.253 4.454 1.00 8.77 C ATOM 324 CD LYS A 23 18.097 -11.558 4.972 1.00 9.62 C ATOM 325 CE LYS A 23 17.763 -11.765 6.456 1.00 10.49 C ATOM 326 NZ LYS A 23 16.299 -11.866 6.697 1.00 11.12 N ATOM 0 H LYS A 23 17.807 -9.559 0.587 1.00 7.27 H new ATOM 0 HA LYS A 23 16.228 -8.589 2.820 1.00 7.12 H new ATOM 0 HB2 LYS A 23 17.397 -10.902 2.434 1.00 8.04 H new ATOM 0 HB3 LYS A 23 18.885 -10.066 2.831 1.00 8.04 H new ATOM 0 HG2 LYS A 23 17.948 -9.422 5.018 1.00 8.77 H new ATOM 0 HG3 LYS A 23 16.448 -10.237 4.622 1.00 8.77 H new ATOM 0 HD2 LYS A 23 17.699 -12.388 4.389 1.00 9.62 H new ATOM 0 HD3 LYS A 23 19.179 -11.562 4.837 1.00 9.62 H new ATOM 0 HE2 LYS A 23 18.251 -12.672 6.813 1.00 10.49 H new ATOM 0 HE3 LYS A 23 18.168 -10.936 7.036 1.00 10.49 H new ATOM 0 HZ1 LYS A 23 16.129 -12.205 7.666 1.00 11.12 H new ATOM 0 HZ2 LYS A 23 15.862 -10.930 6.576 1.00 11.12 H new ATOM 0 HZ3 LYS A 23 15.881 -12.534 6.018 1.00 11.12 H new ATOM 340 N ASN A 24 18.823 -7.032 1.857 1.00 5.86 N ATOM 341 CA ASN A 24 19.761 -5.938 2.088 1.00 5.58 C ATOM 342 C ASN A 24 19.057 -4.701 2.658 1.00 5.25 C ATOM 343 O ASN A 24 17.841 -4.565 2.570 1.00 5.71 O ATOM 344 CB ASN A 24 20.530 -5.572 0.797 1.00 5.59 C ATOM 345 CG ASN A 24 19.690 -4.888 -0.311 1.00 6.03 C ATOM 346 OD1 ASN A 24 20.223 -4.142 -1.110 1.00 6.46 O ATOM 347 ND2 ASN A 24 18.384 -5.103 -0.329 1.00 6.29 N ATOM 0 H ASN A 24 18.739 -7.308 0.879 1.00 5.86 H new ATOM 0 HA ASN A 24 20.481 -6.288 2.828 1.00 5.58 H new ATOM 0 HB2 ASN A 24 21.356 -4.912 1.062 1.00 5.59 H new ATOM 0 HB3 ASN A 24 20.969 -6.481 0.386 1.00 5.59 H new ATOM 0 HD21 ASN A 24 17.800 -4.638 -1.024 1.00 6.29 H new ATOM 0 HD22 ASN A 24 17.962 -5.734 0.352 1.00 6.29 H new ATOM 354 N LEU A 25 19.822 -3.797 3.211 1.00 4.87 N ATOM 355 CA LEU A 25 19.243 -2.628 3.809 1.00 4.97 C ATOM 356 C LEU A 25 19.091 -1.523 2.809 1.00 4.70 C ATOM 357 O LEU A 25 20.083 -0.992 2.278 1.00 4.86 O ATOM 358 CB LEU A 25 20.027 -2.147 5.018 1.00 5.36 C ATOM 359 CG LEU A 25 20.140 -3.134 6.181 1.00 6.04 C ATOM 360 CD1 LEU A 25 20.907 -2.512 7.335 1.00 6.81 C ATOM 361 CD2 LEU A 25 18.758 -3.598 6.640 1.00 6.58 C ATOM 0 H LEU A 25 20.840 -3.848 3.259 1.00 4.87 H new ATOM 0 HA LEU A 25 18.252 -2.918 4.158 1.00 4.97 H new ATOM 0 HB2 LEU A 25 21.033 -1.884 4.692 1.00 5.36 H new ATOM 0 HB3 LEU A 25 19.562 -1.233 5.387 1.00 5.36 H new ATOM 0 HG LEU A 25 20.690 -4.008 5.832 1.00 6.04 H new ATOM 0 HD11 LEU A 25 20.977 -3.229 8.153 1.00 6.81 H new ATOM 0 HD12 LEU A 25 21.909 -2.242 7.002 1.00 6.81 H new ATOM 0 HD13 LEU A 25 20.386 -1.619 7.679 1.00 6.81 H new ATOM 0 HD21 LEU A 25 18.866 -4.299 7.468 1.00 6.58 H new ATOM 0 HD22 LEU A 25 18.175 -2.737 6.967 1.00 6.58 H new ATOM 0 HD23 LEU A 25 18.246 -4.089 5.813 1.00 6.58 H new ATOM 373 N GLU A 26 17.863 -1.211 2.559 1.00 4.76 N ATOM 374 CA GLU A 26 17.435 -0.143 1.683 1.00 4.96 C ATOM 375 C GLU A 26 17.927 1.222 2.215 1.00 4.83 C ATOM 376 O GLU A 26 18.057 1.417 3.427 1.00 4.95 O ATOM 377 CB GLU A 26 15.905 -0.210 1.576 1.00 5.70 C ATOM 378 CG GLU A 26 15.203 -0.217 2.944 1.00 6.48 C ATOM 379 CD GLU A 26 13.710 -0.446 2.868 1.00 7.27 C ATOM 380 OE1 GLU A 26 13.288 -1.602 2.867 1.00 7.70 O ATOM 381 OE2 GLU A 26 12.948 0.554 2.771 1.00 7.68 O ATOM 0 H GLU A 26 17.080 -1.714 2.977 1.00 4.76 H new ATOM 0 HA GLU A 26 17.867 -0.257 0.689 1.00 4.96 H new ATOM 0 HB2 GLU A 26 15.550 0.642 0.997 1.00 5.70 H new ATOM 0 HB3 GLU A 26 15.624 -1.108 1.026 1.00 5.70 H new ATOM 0 HG2 GLU A 26 15.648 -0.994 3.565 1.00 6.48 H new ATOM 0 HG3 GLU A 26 15.389 0.735 3.441 1.00 6.48 H new ATOM 388 N LYS A 27 18.236 2.146 1.311 1.00 5.08 N ATOM 389 CA LYS A 27 18.772 3.435 1.722 1.00 5.48 C ATOM 390 C LYS A 27 17.995 4.612 1.137 1.00 5.57 C ATOM 391 O LYS A 27 18.363 5.771 1.340 1.00 6.04 O ATOM 392 CB LYS A 27 20.305 3.521 1.429 1.00 6.20 C ATOM 393 CG LYS A 27 20.764 3.306 -0.047 1.00 6.72 C ATOM 394 CD LYS A 27 20.450 4.498 -0.969 1.00 7.40 C ATOM 395 CE LYS A 27 20.853 4.247 -2.432 1.00 8.14 C ATOM 396 NZ LYS A 27 22.313 3.980 -2.600 1.00 8.86 N ATOM 0 H LYS A 27 18.126 2.028 0.304 1.00 5.08 H new ATOM 0 HA LYS A 27 18.641 3.511 2.801 1.00 5.48 H new ATOM 0 HB2 LYS A 27 20.656 4.501 1.752 1.00 6.20 H new ATOM 0 HB3 LYS A 27 20.809 2.781 2.050 1.00 6.20 H new ATOM 0 HG2 LYS A 27 21.838 3.119 -0.061 1.00 6.72 H new ATOM 0 HG3 LYS A 27 20.280 2.413 -0.443 1.00 6.72 H new ATOM 0 HD2 LYS A 27 19.383 4.714 -0.924 1.00 7.40 H new ATOM 0 HD3 LYS A 27 20.970 5.382 -0.601 1.00 7.40 H new ATOM 0 HE2 LYS A 27 20.288 3.399 -2.818 1.00 8.14 H new ATOM 0 HE3 LYS A 27 20.577 5.114 -3.033 1.00 8.14 H new ATOM 0 HZ1 LYS A 27 22.535 3.886 -3.612 1.00 8.86 H new ATOM 0 HZ2 LYS A 27 22.859 4.769 -2.198 1.00 8.86 H new ATOM 0 HZ3 LYS A 27 22.564 3.099 -2.107 1.00 8.86 H new ATOM 410 N ALA A 28 16.933 4.316 0.444 1.00 5.50 N ATOM 411 CA ALA A 28 16.105 5.327 -0.186 1.00 5.97 C ATOM 412 C ALA A 28 14.705 4.790 -0.295 1.00 6.23 C ATOM 413 O ALA A 28 14.523 3.587 -0.326 1.00 6.48 O ATOM 414 CB ALA A 28 16.651 5.688 -1.570 1.00 6.27 C ATOM 0 H ALA A 28 16.607 3.361 0.294 1.00 5.50 H new ATOM 0 HA ALA A 28 16.109 6.236 0.416 1.00 5.97 H new ATOM 0 HB1 ALA A 28 16.015 6.448 -2.025 1.00 6.27 H new ATOM 0 HB2 ALA A 28 17.665 6.075 -1.471 1.00 6.27 H new ATOM 0 HB3 ALA A 28 16.662 4.799 -2.200 1.00 6.27 H new ATOM 420 N LYS A 29 13.721 5.663 -0.331 1.00 6.51 N ATOM 421 CA LYS A 29 12.334 5.223 -0.427 1.00 7.02 C ATOM 422 C LYS A 29 11.720 5.611 -1.761 1.00 6.93 C ATOM 423 O LYS A 29 10.741 4.999 -2.199 1.00 7.10 O ATOM 424 CB LYS A 29 11.488 5.766 0.726 1.00 7.79 C ATOM 425 CG LYS A 29 11.916 5.285 2.109 1.00 8.36 C ATOM 426 CD LYS A 29 10.969 5.786 3.193 1.00 9.07 C ATOM 427 CE LYS A 29 9.553 5.251 2.987 1.00 9.70 C ATOM 428 NZ LYS A 29 8.602 5.757 4.005 1.00 10.01 N ATOM 0 H LYS A 29 13.847 6.675 -0.296 1.00 6.51 H new ATOM 0 HA LYS A 29 12.341 4.135 -0.357 1.00 7.02 H new ATOM 0 HB2 LYS A 29 11.527 6.855 0.706 1.00 7.79 H new ATOM 0 HB3 LYS A 29 10.449 5.481 0.562 1.00 7.79 H new ATOM 0 HG2 LYS A 29 11.944 4.195 2.124 1.00 8.36 H new ATOM 0 HG3 LYS A 29 12.928 5.632 2.319 1.00 8.36 H new ATOM 0 HD2 LYS A 29 11.337 5.477 4.171 1.00 9.07 H new ATOM 0 HD3 LYS A 29 10.952 6.876 3.188 1.00 9.07 H new ATOM 0 HE2 LYS A 29 9.202 5.533 1.994 1.00 9.70 H new ATOM 0 HE3 LYS A 29 9.571 4.162 3.021 1.00 9.70 H new ATOM 0 HZ1 LYS A 29 7.656 5.365 3.822 1.00 10.01 H new ATOM 0 HZ2 LYS A 29 8.920 5.466 4.952 1.00 10.01 H new ATOM 0 HZ3 LYS A 29 8.562 6.795 3.957 1.00 10.01 H new ATOM 442 N ALA A 30 12.300 6.641 -2.393 1.00 7.00 N ATOM 443 CA ALA A 30 11.878 7.128 -3.717 1.00 7.22 C ATOM 444 C ALA A 30 10.385 7.527 -3.734 1.00 7.17 C ATOM 445 O ALA A 30 9.826 7.957 -2.715 1.00 7.27 O ATOM 446 CB ALA A 30 12.170 6.057 -4.773 1.00 7.43 C ATOM 0 H ALA A 30 13.081 7.165 -1.998 1.00 7.00 H new ATOM 0 HA ALA A 30 12.448 8.028 -3.949 1.00 7.22 H new ATOM 0 HB1 ALA A 30 11.858 6.418 -5.753 1.00 7.43 H new ATOM 0 HB2 ALA A 30 13.239 5.843 -4.789 1.00 7.43 H new ATOM 0 HB3 ALA A 30 11.622 5.147 -4.530 1.00 7.43 H new ATOM 452 N ALA A 31 9.780 7.427 -4.898 1.00 7.30 N ATOM 453 CA ALA A 31 8.384 7.713 -5.091 1.00 7.49 C ATOM 454 C ALA A 31 7.727 6.479 -5.688 1.00 7.26 C ATOM 455 O ALA A 31 8.418 5.528 -6.051 1.00 7.29 O ATOM 456 CB ALA A 31 8.209 8.917 -6.014 1.00 8.16 C ATOM 0 H ALA A 31 10.259 7.138 -5.751 1.00 7.30 H new ATOM 0 HA ALA A 31 7.916 7.958 -4.138 1.00 7.49 H new ATOM 0 HB1 ALA A 31 7.147 9.120 -6.150 1.00 8.16 H new ATOM 0 HB2 ALA A 31 8.691 9.788 -5.571 1.00 8.16 H new ATOM 0 HB3 ALA A 31 8.664 8.703 -6.981 1.00 8.16 H new ATOM 462 N GLY A 32 6.417 6.490 -5.813 1.00 7.31 N ATOM 463 CA GLY A 32 5.748 5.320 -6.352 1.00 7.37 C ATOM 464 C GLY A 32 4.371 5.116 -5.774 1.00 7.39 C ATOM 465 O GLY A 32 3.588 4.320 -6.290 1.00 7.69 O ATOM 0 H GLY A 32 5.808 7.268 -5.559 1.00 7.31 H new ATOM 0 HA2 GLY A 32 5.672 5.418 -7.435 1.00 7.37 H new ATOM 0 HA3 GLY A 32 6.355 4.437 -6.154 1.00 7.37 H new ATOM 469 N LYS A 33 4.079 5.809 -4.685 1.00 7.33 N ATOM 470 CA LYS A 33 2.758 5.725 -4.075 1.00 7.58 C ATOM 471 C LYS A 33 1.768 6.583 -4.875 1.00 7.81 C ATOM 472 O LYS A 33 0.570 6.295 -4.923 1.00 8.09 O ATOM 473 CB LYS A 33 2.813 6.189 -2.608 1.00 7.70 C ATOM 474 CG LYS A 33 3.778 5.391 -1.716 1.00 7.71 C ATOM 475 CD LYS A 33 3.369 3.913 -1.540 1.00 8.10 C ATOM 476 CE LYS A 33 2.041 3.765 -0.799 1.00 8.68 C ATOM 477 NZ LYS A 33 1.690 2.347 -0.556 1.00 8.86 N ATOM 0 H LYS A 33 4.731 6.431 -4.207 1.00 7.33 H new ATOM 0 HA LYS A 33 2.422 4.688 -4.090 1.00 7.58 H new ATOM 0 HB2 LYS A 33 3.103 7.239 -2.584 1.00 7.70 H new ATOM 0 HB3 LYS A 33 1.811 6.125 -2.183 1.00 7.70 H new ATOM 0 HG2 LYS A 33 4.779 5.435 -2.146 1.00 7.71 H new ATOM 0 HG3 LYS A 33 3.831 5.865 -0.736 1.00 7.71 H new ATOM 0 HD2 LYS A 33 3.291 3.440 -2.519 1.00 8.10 H new ATOM 0 HD3 LYS A 33 4.149 3.385 -0.992 1.00 8.10 H new ATOM 0 HE2 LYS A 33 2.098 4.292 0.154 1.00 8.68 H new ATOM 0 HE3 LYS A 33 1.249 4.239 -1.378 1.00 8.68 H new ATOM 0 HZ1 LYS A 33 1.007 2.288 0.226 1.00 8.86 H new ATOM 0 HZ2 LYS A 33 1.268 1.942 -1.416 1.00 8.86 H new ATOM 0 HZ3 LYS A 33 2.548 1.815 -0.308 1.00 8.86 H new ATOM 491 N GLY A 34 2.300 7.620 -5.505 1.00 7.92 N ATOM 492 CA GLY A 34 1.524 8.521 -6.301 1.00 8.28 C ATOM 493 C GLY A 34 2.347 9.731 -6.601 1.00 8.23 C ATOM 494 O GLY A 34 3.432 9.870 -6.045 1.00 8.16 O ATOM 0 H GLY A 34 3.293 7.850 -5.469 1.00 7.92 H new ATOM 0 HA2 GLY A 34 1.215 8.036 -7.227 1.00 8.28 H new ATOM 0 HA3 GLY A 34 0.615 8.805 -5.771 1.00 8.28 H new ATOM 498 N SER A 35 1.879 10.583 -7.482 1.00 8.52 N ATOM 499 CA SER A 35 2.615 11.778 -7.822 1.00 8.67 C ATOM 500 C SER A 35 2.228 12.945 -6.900 1.00 8.96 C ATOM 501 O SER A 35 2.927 13.244 -5.940 1.00 9.53 O ATOM 502 CB SER A 35 2.384 12.130 -9.279 1.00 8.87 C ATOM 503 OG SER A 35 2.700 11.029 -10.112 1.00 8.86 O ATOM 0 H SER A 35 0.993 10.472 -7.976 1.00 8.52 H new ATOM 0 HA SER A 35 3.678 11.587 -7.676 1.00 8.67 H new ATOM 0 HB2 SER A 35 1.344 12.420 -9.429 1.00 8.87 H new ATOM 0 HB3 SER A 35 2.997 12.989 -9.553 1.00 8.87 H new ATOM 0 HG SER A 35 2.544 11.272 -11.048 1.00 8.86 H new ATOM 509 N GLN A 36 1.097 13.578 -7.179 1.00 8.75 N ATOM 510 CA GLN A 36 0.628 14.682 -6.357 1.00 9.17 C ATOM 511 C GLN A 36 -0.855 14.541 -6.058 1.00 8.70 C ATOM 512 O GLN A 36 -1.245 14.368 -4.916 1.00 8.58 O ATOM 513 CB GLN A 36 0.916 16.038 -7.009 1.00 10.09 C ATOM 514 CG GLN A 36 2.392 16.323 -7.245 1.00 10.66 C ATOM 515 CD GLN A 36 2.628 17.697 -7.822 1.00 11.45 C ATOM 516 OE1 GLN A 36 1.788 18.234 -8.538 1.00 11.91 O ATOM 517 NE2 GLN A 36 3.780 18.271 -7.527 1.00 11.81 N ATOM 0 H GLN A 36 0.490 13.346 -7.965 1.00 8.75 H new ATOM 0 HA GLN A 36 1.179 14.643 -5.417 1.00 9.17 H new ATOM 0 HB2 GLN A 36 0.392 16.087 -7.964 1.00 10.09 H new ATOM 0 HB3 GLN A 36 0.503 16.825 -6.378 1.00 10.09 H new ATOM 0 HG2 GLN A 36 2.932 16.230 -6.303 1.00 10.66 H new ATOM 0 HG3 GLN A 36 2.800 15.573 -7.922 1.00 10.66 H new ATOM 0 HE21 GLN A 36 4.451 17.790 -6.928 1.00 11.81 H new ATOM 0 HE22 GLN A 36 3.999 19.195 -7.898 1.00 11.81 H new ATOM 526 N LEU A 37 -1.675 14.604 -7.093 1.00 8.63 N ATOM 527 CA LEU A 37 -3.128 14.477 -6.934 1.00 8.33 C ATOM 528 C LEU A 37 -3.517 13.030 -6.692 1.00 7.59 C ATOM 529 O LEU A 37 -4.378 12.738 -5.869 1.00 7.53 O ATOM 530 CB LEU A 37 -3.906 15.010 -8.172 1.00 8.94 C ATOM 531 CG LEU A 37 -3.787 16.515 -8.529 1.00 9.62 C ATOM 532 CD1 LEU A 37 -4.149 17.397 -7.352 1.00 10.08 C ATOM 533 CD2 LEU A 37 -2.420 16.864 -9.105 1.00 9.94 C ATOM 0 H LEU A 37 -1.367 14.742 -8.056 1.00 8.63 H new ATOM 0 HA LEU A 37 -3.399 15.085 -6.071 1.00 8.33 H new ATOM 0 HB2 LEU A 37 -3.581 14.437 -9.040 1.00 8.94 H new ATOM 0 HB3 LEU A 37 -4.962 14.788 -8.021 1.00 8.94 H new ATOM 0 HG LEU A 37 -4.514 16.714 -9.316 1.00 9.62 H new ATOM 0 HD11 LEU A 37 -4.054 18.444 -7.639 1.00 10.08 H new ATOM 0 HD12 LEU A 37 -5.176 17.196 -7.049 1.00 10.08 H new ATOM 0 HD13 LEU A 37 -3.477 17.187 -6.520 1.00 10.08 H new ATOM 0 HD21 LEU A 37 -2.385 17.928 -9.339 1.00 9.94 H new ATOM 0 HD22 LEU A 37 -1.646 16.628 -8.375 1.00 9.94 H new ATOM 0 HD23 LEU A 37 -2.250 16.286 -10.014 1.00 9.94 H new ATOM 545 N GLU A 38 -2.851 12.145 -7.430 1.00 7.28 N ATOM 546 CA GLU A 38 -3.119 10.699 -7.431 1.00 6.85 C ATOM 547 C GLU A 38 -3.195 10.125 -6.014 1.00 6.29 C ATOM 548 O GLU A 38 -4.185 9.486 -5.631 1.00 6.53 O ATOM 549 CB GLU A 38 -2.008 9.964 -8.200 1.00 7.02 C ATOM 550 CG GLU A 38 -1.730 10.531 -9.584 1.00 7.23 C ATOM 551 CD GLU A 38 -2.977 10.661 -10.414 1.00 7.58 C ATOM 552 OE1 GLU A 38 -3.412 9.638 -10.969 1.00 7.86 O ATOM 553 OE2 GLU A 38 -3.496 11.776 -10.542 1.00 7.82 O ATOM 0 H GLU A 38 -2.094 12.413 -8.059 1.00 7.28 H new ATOM 0 HA GLU A 38 -4.085 10.552 -7.913 1.00 6.85 H new ATOM 0 HB2 GLU A 38 -1.090 10.000 -7.613 1.00 7.02 H new ATOM 0 HB3 GLU A 38 -2.283 8.914 -8.298 1.00 7.02 H new ATOM 0 HG2 GLU A 38 -1.260 11.509 -9.485 1.00 7.23 H new ATOM 0 HG3 GLU A 38 -1.019 9.887 -10.101 1.00 7.23 H new ATOM 560 N ALA A 39 -2.174 10.362 -5.231 1.00 5.86 N ATOM 561 CA ALA A 39 -2.163 9.831 -3.916 1.00 5.57 C ATOM 562 C ALA A 39 -1.904 10.877 -2.879 1.00 5.31 C ATOM 563 O ALA A 39 -0.814 10.985 -2.334 1.00 5.56 O ATOM 564 CB ALA A 39 -1.242 8.641 -3.774 1.00 5.92 C ATOM 0 H ALA A 39 -1.355 10.913 -5.487 1.00 5.86 H new ATOM 0 HA ALA A 39 -3.171 9.458 -3.734 1.00 5.57 H new ATOM 0 HB1 ALA A 39 -1.274 8.277 -2.747 1.00 5.92 H new ATOM 0 HB2 ALA A 39 -1.564 7.849 -4.450 1.00 5.92 H new ATOM 0 HB3 ALA A 39 -0.223 8.938 -4.022 1.00 5.92 H new ATOM 570 N ASN A 40 -2.878 11.687 -2.675 1.00 5.21 N ATOM 571 CA ASN A 40 -2.840 12.667 -1.636 1.00 5.30 C ATOM 572 C ASN A 40 -3.906 12.280 -0.651 1.00 4.90 C ATOM 573 O ASN A 40 -5.043 11.997 -1.055 1.00 4.87 O ATOM 574 CB ASN A 40 -3.146 14.064 -2.196 1.00 5.95 C ATOM 575 CG ASN A 40 -3.025 15.184 -1.164 1.00 6.36 C ATOM 576 OD1 ASN A 40 -3.749 16.160 -1.214 1.00 6.54 O ATOM 577 ND2 ASN A 40 -2.069 15.071 -0.256 1.00 6.88 N ATOM 0 H ASN A 40 -3.736 11.694 -3.227 1.00 5.21 H new ATOM 0 HA ASN A 40 -1.853 12.703 -1.176 1.00 5.30 H new ATOM 0 HB2 ASN A 40 -2.467 14.270 -3.023 1.00 5.95 H new ATOM 0 HB3 ASN A 40 -4.156 14.068 -2.605 1.00 5.95 H new ATOM 0 HD21 ASN A 40 -1.924 15.815 0.427 1.00 6.88 H new ATOM 0 HD22 ASN A 40 -1.477 14.240 -0.239 1.00 6.88 H new ATOM 584 N LYS A 41 -3.555 12.185 0.615 1.00 4.91 N ATOM 585 CA LYS A 41 -4.525 11.845 1.642 1.00 4.79 C ATOM 586 C LYS A 41 -4.315 12.730 2.857 1.00 5.11 C ATOM 587 O LYS A 41 -5.236 13.410 3.300 1.00 5.52 O ATOM 588 CB LYS A 41 -4.414 10.353 2.050 1.00 5.30 C ATOM 589 CG LYS A 41 -4.635 9.335 0.918 1.00 6.03 C ATOM 590 CD LYS A 41 -6.059 9.395 0.390 1.00 6.55 C ATOM 591 CE LYS A 41 -6.299 8.412 -0.756 1.00 7.33 C ATOM 592 NZ LYS A 41 -5.495 8.720 -1.965 1.00 7.95 N ATOM 0 H LYS A 41 -2.607 12.338 0.960 1.00 4.91 H new ATOM 0 HA LYS A 41 -5.523 12.010 1.236 1.00 4.79 H new ATOM 0 HB2 LYS A 41 -3.426 10.185 2.478 1.00 5.30 H new ATOM 0 HB3 LYS A 41 -5.140 10.156 2.838 1.00 5.30 H new ATOM 0 HG2 LYS A 41 -3.935 9.534 0.106 1.00 6.03 H new ATOM 0 HG3 LYS A 41 -4.423 8.330 1.283 1.00 6.03 H new ATOM 0 HD2 LYS A 41 -6.754 9.179 1.202 1.00 6.55 H new ATOM 0 HD3 LYS A 41 -6.274 10.407 0.048 1.00 6.55 H new ATOM 0 HE2 LYS A 41 -6.063 7.403 -0.417 1.00 7.33 H new ATOM 0 HE3 LYS A 41 -7.357 8.420 -1.019 1.00 7.33 H new ATOM 0 HZ1 LYS A 41 -5.786 8.095 -2.744 1.00 7.95 H new ATOM 0 HZ2 LYS A 41 -5.648 9.711 -2.240 1.00 7.95 H new ATOM 0 HZ3 LYS A 41 -4.487 8.570 -1.759 1.00 7.95 H new ATOM 606 N LYS A 42 -3.080 12.695 3.397 1.00 5.29 N ATOM 607 CA LYS A 42 -2.645 13.466 4.574 1.00 6.01 C ATOM 608 C LYS A 42 -3.302 12.996 5.878 1.00 6.11 C ATOM 609 O LYS A 42 -2.629 12.784 6.869 1.00 6.74 O ATOM 610 CB LYS A 42 -2.797 14.993 4.374 1.00 6.24 C ATOM 611 CG LYS A 42 -2.223 15.799 5.527 1.00 6.53 C ATOM 612 CD LYS A 42 -2.261 17.317 5.280 1.00 7.13 C ATOM 613 CE LYS A 42 -3.680 17.854 5.111 1.00 7.68 C ATOM 614 NZ LYS A 42 -3.695 19.332 4.937 1.00 8.17 N ATOM 0 H LYS A 42 -2.337 12.111 3.013 1.00 5.29 H new ATOM 0 HA LYS A 42 -1.579 13.263 4.676 1.00 6.01 H new ATOM 0 HB2 LYS A 42 -2.299 15.285 3.449 1.00 6.24 H new ATOM 0 HB3 LYS A 42 -3.853 15.236 4.257 1.00 6.24 H new ATOM 0 HG2 LYS A 42 -2.781 15.571 6.435 1.00 6.53 H new ATOM 0 HG3 LYS A 42 -1.192 15.491 5.700 1.00 6.53 H new ATOM 0 HD2 LYS A 42 -1.781 17.828 6.114 1.00 7.13 H new ATOM 0 HD3 LYS A 42 -1.681 17.550 4.387 1.00 7.13 H new ATOM 0 HE2 LYS A 42 -4.147 17.382 4.247 1.00 7.68 H new ATOM 0 HE3 LYS A 42 -4.277 17.585 5.982 1.00 7.68 H new ATOM 0 HZ1 LYS A 42 -4.676 19.658 4.825 1.00 8.17 H new ATOM 0 HZ2 LYS A 42 -3.273 19.784 5.773 1.00 8.17 H new ATOM 0 HZ3 LYS A 42 -3.147 19.588 4.091 1.00 8.17 H new ATOM 628 N ALA A 43 -4.606 12.815 5.848 1.00 5.71 N ATOM 629 CA ALA A 43 -5.373 12.410 7.015 1.00 5.93 C ATOM 630 C ALA A 43 -5.295 10.913 7.274 1.00 5.58 C ATOM 631 O ALA A 43 -5.731 10.460 8.322 1.00 5.78 O ATOM 632 CB ALA A 43 -6.819 12.790 6.813 1.00 5.86 C ATOM 0 H ALA A 43 -5.171 12.945 5.008 1.00 5.71 H new ATOM 0 HA ALA A 43 -4.945 12.921 7.878 1.00 5.93 H new ATOM 0 HB1 ALA A 43 -7.400 12.489 7.685 1.00 5.86 H new ATOM 0 HB2 ALA A 43 -6.897 13.869 6.680 1.00 5.86 H new ATOM 0 HB3 ALA A 43 -7.207 12.287 5.927 1.00 5.86 H new ATOM 638 N MET A 44 -4.732 10.163 6.308 1.00 5.27 N ATOM 639 CA MET A 44 -4.702 8.692 6.340 1.00 5.14 C ATOM 640 C MET A 44 -6.117 8.125 6.442 1.00 4.41 C ATOM 641 O MET A 44 -6.655 7.930 7.531 1.00 4.57 O ATOM 642 CB MET A 44 -3.777 8.123 7.440 1.00 5.83 C ATOM 643 CG MET A 44 -2.311 8.520 7.296 1.00 6.40 C ATOM 644 SD MET A 44 -1.595 7.997 5.718 1.00 6.97 S ATOM 645 CE MET A 44 0.090 8.578 5.921 1.00 7.62 C ATOM 0 H MET A 44 -4.285 10.563 5.483 1.00 5.27 H new ATOM 0 HA MET A 44 -4.267 8.367 5.395 1.00 5.14 H new ATOM 0 HB2 MET A 44 -4.138 8.459 8.412 1.00 5.83 H new ATOM 0 HB3 MET A 44 -3.849 7.035 7.432 1.00 5.83 H new ATOM 0 HG2 MET A 44 -2.221 9.602 7.390 1.00 6.40 H new ATOM 0 HG3 MET A 44 -1.738 8.081 8.113 1.00 6.40 H new ATOM 0 HE1 MET A 44 0.669 8.333 5.030 1.00 7.62 H new ATOM 0 HE2 MET A 44 0.087 9.658 6.067 1.00 7.62 H new ATOM 0 HE3 MET A 44 0.539 8.096 6.789 1.00 7.62 H new ATOM 655 N SER A 45 -6.732 7.933 5.292 1.00 3.91 N ATOM 656 CA SER A 45 -8.100 7.465 5.220 1.00 3.31 C ATOM 657 C SER A 45 -8.284 5.956 5.519 1.00 3.15 C ATOM 658 O SER A 45 -8.571 5.585 6.648 1.00 3.30 O ATOM 659 CB SER A 45 -8.708 7.855 3.882 1.00 3.27 C ATOM 660 OG SER A 45 -8.701 9.270 3.720 1.00 3.82 O ATOM 0 H SER A 45 -6.298 8.097 4.384 1.00 3.91 H new ATOM 0 HA SER A 45 -8.639 7.963 6.026 1.00 3.31 H new ATOM 0 HB2 SER A 45 -8.147 7.388 3.072 1.00 3.27 H new ATOM 0 HB3 SER A 45 -9.730 7.482 3.819 1.00 3.27 H new ATOM 0 HG SER A 45 -7.864 9.546 3.291 1.00 3.82 H new ATOM 666 N ILE A 46 -8.100 5.101 4.517 1.00 3.06 N ATOM 667 CA ILE A 46 -8.372 3.661 4.668 1.00 2.90 C ATOM 668 C ILE A 46 -7.265 2.896 3.937 1.00 3.39 C ATOM 669 O ILE A 46 -6.626 3.463 3.069 1.00 3.76 O ATOM 670 CB ILE A 46 -9.749 3.292 4.016 1.00 2.48 C ATOM 671 CG1 ILE A 46 -10.856 4.261 4.478 1.00 2.40 C ATOM 672 CG2 ILE A 46 -10.147 1.855 4.397 1.00 2.38 C ATOM 673 CD1 ILE A 46 -12.187 4.058 3.789 1.00 2.53 C ATOM 0 H ILE A 46 -7.765 5.372 3.592 1.00 3.06 H new ATOM 0 HA ILE A 46 -8.403 3.403 5.727 1.00 2.90 H new ATOM 0 HB ILE A 46 -9.639 3.371 2.934 1.00 2.48 H new ATOM 0 HG12 ILE A 46 -10.996 4.149 5.553 1.00 2.40 H new ATOM 0 HG13 ILE A 46 -10.523 5.284 4.305 1.00 2.40 H new ATOM 0 HG21 ILE A 46 -11.105 1.609 3.939 1.00 2.38 H new ATOM 0 HG22 ILE A 46 -9.386 1.160 4.042 1.00 2.38 H new ATOM 0 HG23 ILE A 46 -10.232 1.776 5.481 1.00 2.38 H new ATOM 0 HD11 ILE A 46 -12.909 4.780 4.172 1.00 2.53 H new ATOM 0 HD12 ILE A 46 -12.066 4.200 2.715 1.00 2.53 H new ATOM 0 HD13 ILE A 46 -12.547 3.047 3.983 1.00 2.53 H new ATOM 685 N GLN A 47 -7.053 1.639 4.266 1.00 3.62 N ATOM 686 CA GLN A 47 -5.981 0.849 3.675 1.00 4.26 C ATOM 687 C GLN A 47 -6.594 -0.263 2.783 1.00 4.05 C ATOM 688 O GLN A 47 -7.696 -0.724 3.037 1.00 3.59 O ATOM 689 CB GLN A 47 -5.132 0.249 4.818 1.00 4.89 C ATOM 690 CG GLN A 47 -3.762 -0.299 4.416 1.00 5.73 C ATOM 691 CD GLN A 47 -3.032 -0.929 5.584 1.00 6.34 C ATOM 692 OE1 GLN A 47 -3.163 -2.106 5.849 1.00 6.66 O ATOM 693 NE2 GLN A 47 -2.251 -0.144 6.286 1.00 6.79 N ATOM 0 H GLN A 47 -7.615 1.132 4.949 1.00 3.62 H new ATOM 0 HA GLN A 47 -5.341 1.469 3.047 1.00 4.26 H new ATOM 0 HB2 GLN A 47 -4.986 1.017 5.578 1.00 4.89 H new ATOM 0 HB3 GLN A 47 -5.701 -0.556 5.284 1.00 4.89 H new ATOM 0 HG2 GLN A 47 -3.886 -1.039 3.626 1.00 5.73 H new ATOM 0 HG3 GLN A 47 -3.156 0.508 4.004 1.00 5.73 H new ATOM 0 HE21 GLN A 47 -2.162 0.841 6.038 1.00 6.79 H new ATOM 0 HE22 GLN A 47 -1.732 -0.519 7.080 1.00 6.79 H new ATOM 702 N CYS A 48 -5.884 -0.648 1.734 1.00 4.51 N ATOM 703 CA CYS A 48 -6.364 -1.664 0.776 1.00 4.51 C ATOM 704 C CYS A 48 -6.040 -3.088 1.226 1.00 4.78 C ATOM 705 O CYS A 48 -4.977 -3.340 1.762 1.00 5.43 O ATOM 706 CB CYS A 48 -5.761 -1.415 -0.593 1.00 5.18 C ATOM 707 SG CYS A 48 -6.432 -2.466 -1.896 1.00 5.33 S ATOM 0 H CYS A 48 -4.961 -0.274 1.513 1.00 4.51 H new ATOM 0 HA CYS A 48 -7.449 -1.572 0.729 1.00 4.51 H new ATOM 0 HB2 CYS A 48 -5.921 -0.372 -0.864 1.00 5.18 H new ATOM 0 HB3 CYS A 48 -4.683 -1.568 -0.537 1.00 5.18 H new ATOM 0 HG CYS A 48 -7.577 -2.950 -1.516 1.00 5.33 H new ATOM 713 N LYS A 49 -6.961 -4.011 0.909 1.00 4.37 N ATOM 714 CA LYS A 49 -6.926 -5.431 1.318 1.00 4.60 C ATOM 715 C LYS A 49 -5.741 -6.151 0.652 1.00 5.45 C ATOM 716 O LYS A 49 -5.257 -7.176 1.138 1.00 5.91 O ATOM 717 CB LYS A 49 -8.265 -6.053 0.830 1.00 4.03 C ATOM 718 CG LYS A 49 -8.772 -7.354 1.525 1.00 4.13 C ATOM 719 CD LYS A 49 -7.915 -8.607 1.289 1.00 4.80 C ATOM 720 CE LYS A 49 -7.891 -9.036 -0.178 1.00 5.08 C ATOM 721 NZ LYS A 49 -7.114 -10.289 -0.376 1.00 5.64 N ATOM 0 H LYS A 49 -7.779 -3.786 0.343 1.00 4.37 H new ATOM 0 HA LYS A 49 -6.805 -5.529 2.397 1.00 4.60 H new ATOM 0 HB2 LYS A 49 -9.042 -5.295 0.935 1.00 4.03 H new ATOM 0 HB3 LYS A 49 -8.166 -6.262 -0.235 1.00 4.03 H new ATOM 0 HG2 LYS A 49 -8.831 -7.172 2.598 1.00 4.13 H new ATOM 0 HG3 LYS A 49 -9.786 -7.558 1.180 1.00 4.13 H new ATOM 0 HD2 LYS A 49 -6.896 -8.414 1.624 1.00 4.80 H new ATOM 0 HD3 LYS A 49 -8.300 -9.426 1.897 1.00 4.80 H new ATOM 0 HE2 LYS A 49 -8.912 -9.182 -0.530 1.00 5.08 H new ATOM 0 HE3 LYS A 49 -7.456 -8.240 -0.782 1.00 5.08 H new ATOM 0 HZ1 LYS A 49 -7.122 -10.547 -1.384 1.00 5.64 H new ATOM 0 HZ2 LYS A 49 -6.133 -10.142 -0.063 1.00 5.64 H new ATOM 0 HZ3 LYS A 49 -7.544 -11.055 0.180 1.00 5.64 H new ATOM 735 N VAL A 50 -5.293 -5.588 -0.463 1.00 5.76 N ATOM 736 CA VAL A 50 -4.224 -6.187 -1.282 1.00 6.62 C ATOM 737 C VAL A 50 -2.908 -6.303 -0.525 1.00 7.31 C ATOM 738 O VAL A 50 -2.124 -7.217 -0.764 1.00 7.94 O ATOM 739 CB VAL A 50 -3.991 -5.401 -2.597 1.00 6.99 C ATOM 740 CG1 VAL A 50 -5.278 -5.310 -3.390 1.00 6.73 C ATOM 741 CG2 VAL A 50 -3.430 -3.999 -2.339 1.00 7.56 C ATOM 0 H VAL A 50 -5.652 -4.707 -0.832 1.00 5.76 H new ATOM 0 HA VAL A 50 -4.571 -7.191 -1.527 1.00 6.62 H new ATOM 0 HB VAL A 50 -3.248 -5.950 -3.175 1.00 6.99 H new ATOM 0 HG11 VAL A 50 -5.099 -4.755 -4.311 1.00 6.73 H new ATOM 0 HG12 VAL A 50 -5.628 -6.313 -3.633 1.00 6.73 H new ATOM 0 HG13 VAL A 50 -6.035 -4.796 -2.798 1.00 6.73 H new ATOM 0 HG21 VAL A 50 -3.283 -3.485 -3.289 1.00 7.56 H new ATOM 0 HG22 VAL A 50 -4.132 -3.434 -1.726 1.00 7.56 H new ATOM 0 HG23 VAL A 50 -2.476 -4.079 -1.818 1.00 7.56 H new ATOM 751 N CYS A 51 -2.698 -5.390 0.393 1.00 7.22 N ATOM 752 CA CYS A 51 -1.481 -5.302 1.137 1.00 7.91 C ATOM 753 C CYS A 51 -1.649 -4.171 2.151 1.00 7.66 C ATOM 754 O CYS A 51 -2.459 -4.283 3.051 1.00 7.62 O ATOM 755 CB CYS A 51 -0.274 -5.058 0.176 1.00 8.65 C ATOM 756 SG CYS A 51 1.359 -5.024 0.949 1.00 9.28 S ATOM 0 H CYS A 51 -3.385 -4.679 0.642 1.00 7.22 H new ATOM 0 HA CYS A 51 -1.270 -6.233 1.664 1.00 7.91 H new ATOM 0 HB2 CYS A 51 -0.278 -5.838 -0.585 1.00 8.65 H new ATOM 0 HB3 CYS A 51 -0.431 -4.110 -0.338 1.00 8.65 H new ATOM 0 HG CYS A 51 2.265 -4.816 0.040 1.00 9.28 H new ATOM 762 N MET A 52 -0.939 -3.072 1.964 1.00 7.53 N ATOM 763 CA MET A 52 -1.062 -1.932 2.813 1.00 7.36 C ATOM 764 C MET A 52 -1.104 -0.639 2.012 1.00 7.19 C ATOM 765 O MET A 52 -0.173 0.169 2.059 1.00 7.51 O ATOM 766 CB MET A 52 0.050 -1.863 3.868 1.00 8.14 C ATOM 767 CG MET A 52 -0.025 -2.899 5.000 1.00 8.25 C ATOM 768 SD MET A 52 0.565 -4.567 4.567 1.00 9.18 S ATOM 769 CE MET A 52 2.309 -4.264 4.300 1.00 9.44 C ATOM 0 H MET A 52 -0.261 -2.959 1.210 1.00 7.53 H new ATOM 0 HA MET A 52 -2.010 -2.048 3.338 1.00 7.36 H new ATOM 0 HB2 MET A 52 1.009 -1.976 3.363 1.00 8.14 H new ATOM 0 HB3 MET A 52 0.039 -0.868 4.313 1.00 8.14 H new ATOM 0 HG2 MET A 52 0.558 -2.533 5.845 1.00 8.25 H new ATOM 0 HG3 MET A 52 -1.060 -2.973 5.335 1.00 8.25 H new ATOM 0 HE1 MET A 52 2.838 -5.215 4.238 1.00 9.44 H new ATOM 0 HE2 MET A 52 2.444 -3.712 3.370 1.00 9.44 H new ATOM 0 HE3 MET A 52 2.708 -3.680 5.129 1.00 9.44 H new ATOM 779 N GLN A 53 -2.139 -0.474 1.206 1.00 6.77 N ATOM 780 CA GLN A 53 -2.246 0.739 0.350 1.00 6.78 C ATOM 781 C GLN A 53 -3.297 1.639 0.923 1.00 5.99 C ATOM 782 O GLN A 53 -3.679 1.445 2.033 1.00 5.51 O ATOM 783 CB GLN A 53 -2.586 0.390 -1.103 1.00 7.00 C ATOM 784 CG GLN A 53 -1.687 -0.660 -1.720 1.00 7.73 C ATOM 785 CD GLN A 53 -0.190 -0.397 -1.481 1.00 8.54 C ATOM 786 OE1 GLN A 53 0.477 0.315 -2.220 1.00 9.11 O ATOM 787 NE2 GLN A 53 0.324 -1.027 -0.469 1.00 8.65 N ATOM 0 H GLN A 53 -2.910 -1.135 1.113 1.00 6.77 H new ATOM 0 HA GLN A 53 -1.278 1.241 0.339 1.00 6.78 H new ATOM 0 HB2 GLN A 53 -3.617 0.040 -1.148 1.00 7.00 H new ATOM 0 HB3 GLN A 53 -2.531 1.297 -1.704 1.00 7.00 H new ATOM 0 HG2 GLN A 53 -1.947 -1.636 -1.311 1.00 7.73 H new ATOM 0 HG3 GLN A 53 -1.874 -0.704 -2.793 1.00 7.73 H new ATOM 0 HE21 GLN A 53 -0.268 -1.611 0.122 1.00 8.65 H new ATOM 0 HE22 GLN A 53 1.319 -0.938 -0.265 1.00 8.65 H new ATOM 796 N THR A 54 -3.779 2.621 0.193 1.00 5.92 N ATOM 797 CA THR A 54 -4.759 3.486 0.789 1.00 5.23 C ATOM 798 C THR A 54 -5.839 3.954 -0.213 1.00 5.04 C ATOM 799 O THR A 54 -5.602 4.032 -1.419 1.00 5.63 O ATOM 800 CB THR A 54 -4.089 4.709 1.515 1.00 5.45 C ATOM 801 OG1 THR A 54 -5.058 5.444 2.258 1.00 4.93 O ATOM 802 CG2 THR A 54 -3.458 5.648 0.524 1.00 5.93 C ATOM 0 H THR A 54 -3.520 2.831 -0.771 1.00 5.92 H new ATOM 0 HA THR A 54 -5.272 2.887 1.542 1.00 5.23 H new ATOM 0 HB THR A 54 -3.326 4.306 2.181 1.00 5.45 H new ATOM 0 HG1 THR A 54 -5.658 4.821 2.719 1.00 4.93 H new ATOM 0 HG21 THR A 54 -3.002 6.484 1.054 1.00 5.93 H new ATOM 0 HG22 THR A 54 -2.693 5.118 -0.043 1.00 5.93 H new ATOM 0 HG23 THR A 54 -4.221 6.023 -0.158 1.00 5.93 H new ATOM 810 N PHE A 55 -7.008 4.226 0.320 1.00 4.34 N ATOM 811 CA PHE A 55 -8.141 4.765 -0.399 1.00 4.27 C ATOM 812 C PHE A 55 -8.540 6.040 0.295 1.00 3.93 C ATOM 813 O PHE A 55 -7.976 6.362 1.342 1.00 3.54 O ATOM 814 CB PHE A 55 -9.338 3.807 -0.423 1.00 3.91 C ATOM 815 CG PHE A 55 -9.146 2.586 -1.247 1.00 4.29 C ATOM 816 CD1 PHE A 55 -8.595 1.452 -0.682 1.00 4.24 C ATOM 817 CD2 PHE A 55 -9.486 2.567 -2.595 1.00 4.83 C ATOM 818 CE1 PHE A 55 -8.390 0.314 -1.431 1.00 4.63 C ATOM 819 CE2 PHE A 55 -9.286 1.427 -3.347 1.00 5.27 C ATOM 820 CZ PHE A 55 -8.846 0.315 -2.808 1.00 5.13 C ATOM 0 H PHE A 55 -7.204 4.071 1.309 1.00 4.34 H new ATOM 0 HA PHE A 55 -7.852 4.931 -1.437 1.00 4.27 H new ATOM 0 HB2 PHE A 55 -9.564 3.505 0.600 1.00 3.91 H new ATOM 0 HB3 PHE A 55 -10.209 4.346 -0.796 1.00 3.91 H new ATOM 0 HD1 PHE A 55 -8.321 1.458 0.363 1.00 4.24 H new ATOM 0 HD2 PHE A 55 -9.908 3.448 -3.056 1.00 4.83 H new ATOM 0 HE1 PHE A 55 -7.905 -0.552 -1.006 1.00 4.63 H new ATOM 0 HE2 PHE A 55 -9.497 1.451 -4.406 1.00 5.27 H new ATOM 0 HZ PHE A 55 -8.823 -0.596 -3.387 1.00 5.13 H new ATOM 830 N ILE A 56 -9.484 6.761 -0.253 1.00 4.24 N ATOM 831 CA ILE A 56 -9.906 8.005 0.338 1.00 4.10 C ATOM 832 C ILE A 56 -11.186 7.802 1.114 1.00 3.68 C ATOM 833 O ILE A 56 -12.047 7.027 0.703 1.00 3.75 O ATOM 834 CB ILE A 56 -10.103 9.120 -0.737 1.00 4.78 C ATOM 835 CG1 ILE A 56 -10.386 10.496 -0.103 1.00 4.73 C ATOM 836 CG2 ILE A 56 -11.190 8.743 -1.766 1.00 5.23 C ATOM 837 CD1 ILE A 56 -9.247 11.027 0.776 1.00 4.53 C ATOM 0 H ILE A 56 -9.976 6.507 -1.110 1.00 4.24 H new ATOM 0 HA ILE A 56 -9.118 8.334 1.016 1.00 4.10 H new ATOM 0 HB ILE A 56 -9.158 9.201 -1.274 1.00 4.78 H new ATOM 0 HG12 ILE A 56 -10.584 11.216 -0.897 1.00 4.73 H new ATOM 0 HG13 ILE A 56 -11.293 10.427 0.498 1.00 4.73 H new ATOM 0 HG21 ILE A 56 -11.295 9.546 -2.495 1.00 5.23 H new ATOM 0 HG22 ILE A 56 -10.904 7.824 -2.277 1.00 5.23 H new ATOM 0 HG23 ILE A 56 -12.140 8.593 -1.253 1.00 5.23 H new ATOM 0 HD11 ILE A 56 -9.525 11.999 1.184 1.00 4.53 H new ATOM 0 HD12 ILE A 56 -9.063 10.330 1.593 1.00 4.53 H new ATOM 0 HD13 ILE A 56 -8.343 11.131 0.176 1.00 4.53 H new ATOM 849 N CYS A 57 -11.309 8.465 2.223 1.00 3.44 N ATOM 850 CA CYS A 57 -12.488 8.350 2.997 1.00 3.38 C ATOM 851 C CYS A 57 -13.517 9.345 2.492 1.00 3.93 C ATOM 852 O CYS A 57 -13.643 10.455 3.003 1.00 4.21 O ATOM 853 CB CYS A 57 -12.215 8.516 4.503 1.00 3.28 C ATOM 854 SG CYS A 57 -13.649 8.200 5.552 1.00 4.03 S ATOM 0 H CYS A 57 -10.600 9.091 2.606 1.00 3.44 H new ATOM 0 HA CYS A 57 -12.885 7.342 2.879 1.00 3.38 H new ATOM 0 HB2 CYS A 57 -11.411 7.839 4.792 1.00 3.28 H new ATOM 0 HB3 CYS A 57 -11.860 9.530 4.687 1.00 3.28 H new ATOM 0 HG CYS A 57 -14.643 8.942 5.163 1.00 4.03 H new ATOM 860 N THR A 58 -14.146 8.985 1.400 1.00 4.31 N ATOM 861 CA THR A 58 -15.228 9.776 0.850 1.00 5.03 C ATOM 862 C THR A 58 -16.506 9.639 1.704 1.00 5.13 C ATOM 863 O THR A 58 -17.468 10.415 1.545 1.00 5.79 O ATOM 864 CB THR A 58 -15.514 9.402 -0.636 1.00 5.61 C ATOM 865 OG1 THR A 58 -16.554 10.231 -1.168 1.00 6.01 O ATOM 866 CG2 THR A 58 -15.914 7.939 -0.771 1.00 5.89 C ATOM 0 H THR A 58 -13.927 8.143 0.868 1.00 4.31 H new ATOM 0 HA THR A 58 -14.912 10.819 0.874 1.00 5.03 H new ATOM 0 HB THR A 58 -14.595 9.564 -1.199 1.00 5.61 H new ATOM 0 HG1 THR A 58 -17.086 10.600 -0.433 1.00 6.01 H new ATOM 0 HG21 THR A 58 -16.107 7.710 -1.819 1.00 5.89 H new ATOM 0 HG22 THR A 58 -15.107 7.306 -0.403 1.00 5.89 H new ATOM 0 HG23 THR A 58 -16.815 7.753 -0.187 1.00 5.89 H new ATOM 874 N THR A 59 -16.511 8.663 2.602 1.00 4.66 N ATOM 875 CA THR A 59 -17.641 8.451 3.483 1.00 4.98 C ATOM 876 C THR A 59 -17.143 7.998 4.870 1.00 4.60 C ATOM 877 O THR A 59 -16.873 8.840 5.714 1.00 4.34 O ATOM 878 CB THR A 59 -18.687 7.455 2.900 1.00 5.47 C ATOM 879 OG1 THR A 59 -19.058 7.879 1.573 1.00 6.19 O ATOM 880 CG2 THR A 59 -19.949 7.419 3.769 1.00 5.90 C ATOM 0 H THR A 59 -15.742 8.007 2.736 1.00 4.66 H new ATOM 0 HA THR A 59 -18.163 9.403 3.583 1.00 4.98 H new ATOM 0 HB THR A 59 -18.240 6.461 2.877 1.00 5.47 H new ATOM 0 HG1 THR A 59 -19.715 7.254 1.202 1.00 6.19 H new ATOM 0 HG21 THR A 59 -20.665 6.717 3.342 1.00 5.90 H new ATOM 0 HG22 THR A 59 -19.687 7.101 4.778 1.00 5.90 H new ATOM 0 HG23 THR A 59 -20.394 8.413 3.806 1.00 5.90 H new ATOM 888 N SER A 60 -16.989 6.668 5.087 1.00 4.93 N ATOM 889 CA SER A 60 -16.437 6.159 6.359 1.00 5.08 C ATOM 890 C SER A 60 -16.187 4.639 6.337 1.00 4.91 C ATOM 891 O SER A 60 -15.826 4.055 7.363 1.00 5.44 O ATOM 892 CB SER A 60 -17.412 6.450 7.479 1.00 5.82 C ATOM 893 OG SER A 60 -18.695 5.872 7.194 1.00 6.47 O ATOM 0 H SER A 60 -17.235 5.945 4.411 1.00 4.93 H new ATOM 0 HA SER A 60 -15.481 6.661 6.510 1.00 5.08 H new ATOM 0 HB2 SER A 60 -17.027 6.050 8.417 1.00 5.82 H new ATOM 0 HB3 SER A 60 -17.513 7.527 7.610 1.00 5.82 H new ATOM 0 HG SER A 60 -19.313 6.068 7.929 1.00 6.47 H new ATOM 899 N GLU A 61 -16.393 4.009 5.173 1.00 4.39 N ATOM 900 CA GLU A 61 -16.364 2.520 5.014 1.00 4.24 C ATOM 901 C GLU A 61 -17.557 1.854 5.750 1.00 4.81 C ATOM 902 O GLU A 61 -18.213 0.993 5.210 1.00 4.86 O ATOM 903 CB GLU A 61 -15.046 1.859 5.484 1.00 4.06 C ATOM 904 CG GLU A 61 -15.108 0.330 5.397 1.00 4.21 C ATOM 905 CD GLU A 61 -13.910 -0.388 5.965 1.00 4.27 C ATOM 906 OE1 GLU A 61 -13.630 -0.208 7.145 1.00 4.34 O ATOM 907 OE2 GLU A 61 -13.333 -1.218 5.270 1.00 4.60 O ATOM 0 H GLU A 61 -16.586 4.505 4.303 1.00 4.39 H new ATOM 0 HA GLU A 61 -16.441 2.352 3.940 1.00 4.24 H new ATOM 0 HB2 GLU A 61 -14.220 2.224 4.874 1.00 4.06 H new ATOM 0 HB3 GLU A 61 -14.838 2.156 6.512 1.00 4.06 H new ATOM 0 HG2 GLU A 61 -16.001 -0.013 5.920 1.00 4.21 H new ATOM 0 HG3 GLU A 61 -15.222 0.045 4.351 1.00 4.21 H new ATOM 914 N VAL A 62 -17.825 2.261 6.972 1.00 5.34 N ATOM 915 CA VAL A 62 -18.894 1.695 7.760 1.00 6.05 C ATOM 916 C VAL A 62 -20.250 1.798 7.064 1.00 6.40 C ATOM 917 O VAL A 62 -21.010 0.836 7.057 1.00 6.81 O ATOM 918 CB VAL A 62 -18.933 2.298 9.175 1.00 6.66 C ATOM 919 CG1 VAL A 62 -20.079 1.733 9.974 1.00 7.23 C ATOM 920 CG2 VAL A 62 -17.622 2.004 9.883 1.00 7.09 C ATOM 0 H VAL A 62 -17.304 2.998 7.448 1.00 5.34 H new ATOM 0 HA VAL A 62 -18.679 0.631 7.862 1.00 6.05 H new ATOM 0 HB VAL A 62 -19.077 3.375 9.089 1.00 6.66 H new ATOM 0 HG11 VAL A 62 -20.082 2.177 10.970 1.00 7.23 H new ATOM 0 HG12 VAL A 62 -21.019 1.961 9.472 1.00 7.23 H new ATOM 0 HG13 VAL A 62 -19.965 0.652 10.059 1.00 7.23 H new ATOM 0 HG21 VAL A 62 -17.647 2.430 10.886 1.00 7.09 H new ATOM 0 HG22 VAL A 62 -17.479 0.926 9.950 1.00 7.09 H new ATOM 0 HG23 VAL A 62 -16.798 2.445 9.322 1.00 7.09 H new ATOM 930 N LYS A 63 -20.502 2.925 6.418 1.00 6.35 N ATOM 931 CA LYS A 63 -21.758 3.136 5.701 1.00 6.86 C ATOM 932 C LYS A 63 -21.877 2.076 4.561 1.00 6.61 C ATOM 933 O LYS A 63 -22.949 1.519 4.284 1.00 7.11 O ATOM 934 CB LYS A 63 -21.773 4.580 5.122 1.00 7.01 C ATOM 935 CG LYS A 63 -23.171 5.161 4.851 1.00 7.83 C ATOM 936 CD LYS A 63 -23.928 4.417 3.760 1.00 8.08 C ATOM 937 CE LYS A 63 -25.354 4.928 3.632 1.00 8.93 C ATOM 938 NZ LYS A 63 -26.105 4.227 2.561 1.00 9.36 N ATOM 0 H LYS A 63 -19.855 3.712 6.373 1.00 6.35 H new ATOM 0 HA LYS A 63 -22.608 3.021 6.373 1.00 6.86 H new ATOM 0 HB2 LYS A 63 -21.252 5.239 5.817 1.00 7.01 H new ATOM 0 HB3 LYS A 63 -21.207 4.587 4.190 1.00 7.01 H new ATOM 0 HG2 LYS A 63 -23.754 5.134 5.772 1.00 7.83 H new ATOM 0 HG3 LYS A 63 -23.073 6.209 4.567 1.00 7.83 H new ATOM 0 HD2 LYS A 63 -23.410 4.536 2.809 1.00 8.08 H new ATOM 0 HD3 LYS A 63 -23.940 3.351 3.985 1.00 8.08 H new ATOM 0 HE2 LYS A 63 -25.872 4.797 4.582 1.00 8.93 H new ATOM 0 HE3 LYS A 63 -25.338 5.997 3.422 1.00 8.93 H new ATOM 0 HZ1 LYS A 63 -27.072 4.607 2.509 1.00 9.36 H new ATOM 0 HZ2 LYS A 63 -25.626 4.372 1.649 1.00 9.36 H new ATOM 0 HZ3 LYS A 63 -26.144 3.210 2.773 1.00 9.36 H new ATOM 952 N CYS A 64 -20.762 1.779 3.940 1.00 5.90 N ATOM 953 CA CYS A 64 -20.760 0.804 2.868 1.00 5.63 C ATOM 954 C CYS A 64 -20.720 -0.605 3.441 1.00 5.60 C ATOM 955 O CYS A 64 -21.081 -1.547 2.783 1.00 5.71 O ATOM 956 CB CYS A 64 -19.641 1.048 1.832 1.00 4.97 C ATOM 957 SG CYS A 64 -17.947 0.934 2.440 1.00 4.95 S ATOM 0 H CYS A 64 -19.853 2.190 4.152 1.00 5.90 H new ATOM 0 HA CYS A 64 -21.691 0.922 2.314 1.00 5.63 H new ATOM 0 HB2 CYS A 64 -19.762 0.329 1.022 1.00 4.97 H new ATOM 0 HB3 CYS A 64 -19.784 2.039 1.402 1.00 4.97 H new ATOM 0 HG CYS A 64 -17.960 0.678 3.715 1.00 4.95 H new ATOM 963 N ARG A 65 -20.300 -0.726 4.698 1.00 5.62 N ATOM 964 CA ARG A 65 -20.321 -2.016 5.378 1.00 5.84 C ATOM 965 C ARG A 65 -21.757 -2.464 5.525 1.00 6.60 C ATOM 966 O ARG A 65 -22.074 -3.633 5.319 1.00 6.69 O ATOM 967 CB ARG A 65 -19.646 -1.986 6.772 1.00 5.99 C ATOM 968 CG ARG A 65 -18.144 -1.699 6.783 1.00 5.98 C ATOM 969 CD ARG A 65 -17.591 -1.769 8.206 1.00 6.32 C ATOM 970 NE ARG A 65 -16.157 -1.440 8.305 1.00 6.70 N ATOM 971 CZ ARG A 65 -15.399 -1.668 9.400 1.00 7.13 C ATOM 972 NH1 ARG A 65 -15.910 -2.260 10.459 1.00 7.25 N ATOM 973 NH2 ARG A 65 -14.138 -1.310 9.420 1.00 7.69 N ATOM 0 H ARG A 65 -19.944 0.047 5.261 1.00 5.62 H new ATOM 0 HA ARG A 65 -19.747 -2.714 4.768 1.00 5.84 H new ATOM 0 HB2 ARG A 65 -20.145 -1.230 7.379 1.00 5.99 H new ATOM 0 HB3 ARG A 65 -19.816 -2.947 7.257 1.00 5.99 H new ATOM 0 HG2 ARG A 65 -17.626 -2.420 6.150 1.00 5.98 H new ATOM 0 HG3 ARG A 65 -17.954 -0.712 6.362 1.00 5.98 H new ATOM 0 HD2 ARG A 65 -18.156 -1.085 8.839 1.00 6.32 H new ATOM 0 HD3 ARG A 65 -17.752 -2.773 8.599 1.00 6.32 H new ATOM 0 HE ARG A 65 -15.708 -1.013 7.495 1.00 6.70 H new ATOM 0 HH11 ARG A 65 -16.887 -2.552 10.458 1.00 7.25 H new ATOM 0 HH12 ARG A 65 -15.328 -2.427 11.280 1.00 7.25 H new ATOM 0 HH21 ARG A 65 -13.724 -0.856 8.606 1.00 7.69 H new ATOM 0 HH22 ARG A 65 -13.571 -1.485 10.250 1.00 7.69 H new ATOM 987 N GLU A 66 -22.626 -1.498 5.837 1.00 7.20 N ATOM 988 CA GLU A 66 -24.050 -1.737 6.011 1.00 8.03 C ATOM 989 C GLU A 66 -24.613 -2.284 4.722 1.00 8.03 C ATOM 990 O GLU A 66 -25.320 -3.309 4.695 1.00 8.42 O ATOM 991 CB GLU A 66 -24.775 -0.425 6.334 1.00 8.67 C ATOM 992 CG GLU A 66 -24.121 0.427 7.401 1.00 8.45 C ATOM 993 CD GLU A 66 -24.945 1.651 7.742 1.00 9.17 C ATOM 994 OE1 GLU A 66 -24.897 2.633 6.973 1.00 9.24 O ATOM 995 OE2 GLU A 66 -25.661 1.627 8.774 1.00 9.78 O ATOM 0 H GLU A 66 -22.353 -0.525 5.975 1.00 7.20 H new ATOM 0 HA GLU A 66 -24.193 -2.442 6.830 1.00 8.03 H new ATOM 0 HB2 GLU A 66 -24.853 0.163 5.420 1.00 8.67 H new ATOM 0 HB3 GLU A 66 -25.791 -0.659 6.651 1.00 8.67 H new ATOM 0 HG2 GLU A 66 -23.973 -0.171 8.300 1.00 8.45 H new ATOM 0 HG3 GLU A 66 -23.134 0.739 7.060 1.00 8.45 H new ATOM 1002 N HIS A 67 -24.269 -1.630 3.647 1.00 7.64 N ATOM 1003 CA HIS A 67 -24.771 -2.021 2.345 1.00 7.74 C ATOM 1004 C HIS A 67 -24.076 -3.306 1.838 1.00 7.19 C ATOM 1005 O HIS A 67 -24.613 -4.014 0.998 1.00 7.42 O ATOM 1006 CB HIS A 67 -24.659 -0.866 1.324 1.00 7.65 C ATOM 1007 CG HIS A 67 -25.234 -1.190 -0.035 1.00 7.96 C ATOM 1008 ND1 HIS A 67 -26.520 -0.874 -0.403 1.00 8.79 N ATOM 1009 CD2 HIS A 67 -24.687 -1.815 -1.096 1.00 7.62 C ATOM 1010 CE1 HIS A 67 -26.738 -1.302 -1.641 1.00 8.97 C ATOM 1011 NE2 HIS A 67 -25.631 -1.871 -2.080 1.00 8.28 N ATOM 0 H HIS A 67 -23.644 -0.824 3.639 1.00 7.64 H new ATOM 0 HA HIS A 67 -25.831 -2.248 2.455 1.00 7.74 H new ATOM 0 HB2 HIS A 67 -25.170 0.010 1.724 1.00 7.65 H new ATOM 0 HB3 HIS A 67 -23.609 -0.597 1.208 1.00 7.65 H new ATOM 0 HD2 HIS A 67 -23.681 -2.203 -1.157 1.00 7.62 H new ATOM 0 HE1 HIS A 67 -27.661 -1.202 -2.193 1.00 8.97 H new ATOM 0 HE2 HIS A 67 -25.502 -2.285 -3.003 1.00 8.28 H new ATOM 1020 N ALA A 68 -22.907 -3.599 2.345 1.00 6.53 N ATOM 1021 CA ALA A 68 -22.226 -4.802 1.936 1.00 6.01 C ATOM 1022 C ALA A 68 -22.884 -5.980 2.573 1.00 6.43 C ATOM 1023 O ALA A 68 -23.127 -6.974 1.917 1.00 6.43 O ATOM 1024 CB ALA A 68 -20.760 -4.761 2.256 1.00 5.28 C ATOM 0 H ALA A 68 -22.411 -3.031 3.032 1.00 6.53 H new ATOM 0 HA ALA A 68 -22.300 -4.887 0.852 1.00 6.01 H new ATOM 0 HB1 ALA A 68 -20.290 -5.689 1.929 1.00 5.28 H new ATOM 0 HB2 ALA A 68 -20.298 -3.919 1.740 1.00 5.28 H new ATOM 0 HB3 ALA A 68 -20.625 -4.645 3.331 1.00 5.28 H new ATOM 1030 N GLU A 69 -23.225 -5.835 3.850 1.00 6.88 N ATOM 1031 CA GLU A 69 -23.940 -6.870 4.612 1.00 7.44 C ATOM 1032 C GLU A 69 -25.339 -7.074 4.057 1.00 8.10 C ATOM 1033 O GLU A 69 -26.037 -8.040 4.387 1.00 8.50 O ATOM 1034 CB GLU A 69 -23.997 -6.496 6.086 1.00 7.93 C ATOM 1035 CG GLU A 69 -22.648 -6.511 6.773 1.00 7.64 C ATOM 1036 CD GLU A 69 -22.030 -7.905 6.830 1.00 7.66 C ATOM 1037 OE1 GLU A 69 -21.653 -8.458 5.761 1.00 7.77 O ATOM 1038 OE2 GLU A 69 -21.950 -8.462 7.921 1.00 7.78 O ATOM 0 H GLU A 69 -23.016 -4.997 4.392 1.00 6.88 H new ATOM 0 HA GLU A 69 -23.396 -7.809 4.514 1.00 7.44 H new ATOM 0 HB2 GLU A 69 -24.432 -5.501 6.182 1.00 7.93 H new ATOM 0 HB3 GLU A 69 -24.664 -7.187 6.601 1.00 7.93 H new ATOM 0 HG2 GLU A 69 -21.970 -5.839 6.247 1.00 7.64 H new ATOM 0 HG3 GLU A 69 -22.757 -6.125 7.786 1.00 7.64 H new ATOM 1045 N ALA A 70 -25.751 -6.144 3.237 1.00 8.29 N ATOM 1046 CA ALA A 70 -26.996 -6.224 2.531 1.00 8.98 C ATOM 1047 C ALA A 70 -26.896 -7.201 1.355 1.00 8.74 C ATOM 1048 O ALA A 70 -27.921 -7.655 0.848 1.00 9.31 O ATOM 1049 CB ALA A 70 -27.387 -4.848 2.023 1.00 9.41 C ATOM 0 H ALA A 70 -25.220 -5.296 3.040 1.00 8.29 H new ATOM 0 HA ALA A 70 -27.759 -6.590 3.219 1.00 8.98 H new ATOM 0 HB1 ALA A 70 -28.334 -4.914 1.487 1.00 9.41 H new ATOM 0 HB2 ALA A 70 -27.494 -4.166 2.866 1.00 9.41 H new ATOM 0 HB3 ALA A 70 -26.614 -4.475 1.350 1.00 9.41 H new ATOM 1055 N LYS A 71 -25.655 -7.514 0.904 1.00 7.94 N ATOM 1056 CA LYS A 71 -25.438 -8.394 -0.258 1.00 7.72 C ATOM 1057 C LYS A 71 -24.166 -9.248 -0.101 1.00 7.00 C ATOM 1058 O LYS A 71 -24.219 -10.370 0.352 1.00 7.10 O ATOM 1059 CB LYS A 71 -25.319 -7.561 -1.573 1.00 7.70 C ATOM 1060 CG LYS A 71 -26.553 -6.746 -1.942 1.00 8.55 C ATOM 1061 CD LYS A 71 -27.744 -7.663 -2.235 1.00 9.28 C ATOM 1062 CE LYS A 71 -29.018 -6.895 -2.537 1.00 10.04 C ATOM 1063 NZ LYS A 71 -29.466 -6.068 -1.390 1.00 10.32 N ATOM 0 H LYS A 71 -24.795 -7.168 1.330 1.00 7.94 H new ATOM 0 HA LYS A 71 -26.303 -9.055 -0.313 1.00 7.72 H new ATOM 0 HB2 LYS A 71 -24.471 -6.883 -1.478 1.00 7.70 H new ATOM 0 HB3 LYS A 71 -25.094 -8.241 -2.395 1.00 7.70 H new ATOM 0 HG2 LYS A 71 -26.803 -6.067 -1.127 1.00 8.55 H new ATOM 0 HG3 LYS A 71 -26.339 -6.130 -2.815 1.00 8.55 H new ATOM 0 HD2 LYS A 71 -27.503 -8.305 -3.082 1.00 9.28 H new ATOM 0 HD3 LYS A 71 -27.913 -8.316 -1.379 1.00 9.28 H new ATOM 0 HE2 LYS A 71 -28.855 -6.253 -3.403 1.00 10.04 H new ATOM 0 HE3 LYS A 71 -29.807 -7.597 -2.805 1.00 10.04 H new ATOM 0 HZ1 LYS A 71 -30.504 -6.093 -1.329 1.00 10.32 H new ATOM 0 HZ2 LYS A 71 -29.058 -6.444 -0.510 1.00 10.32 H new ATOM 0 HZ3 LYS A 71 -29.150 -5.086 -1.526 1.00 10.32 H new ATOM 1077 N HIS A 72 -23.030 -8.629 -0.445 1.00 6.33 N ATOM 1078 CA HIS A 72 -21.678 -9.243 -0.535 1.00 5.62 C ATOM 1079 C HIS A 72 -21.626 -10.689 -1.058 1.00 5.65 C ATOM 1080 O HIS A 72 -21.341 -11.618 -0.310 1.00 5.60 O ATOM 1081 CB HIS A 72 -20.730 -9.003 0.688 1.00 5.47 C ATOM 1082 CG HIS A 72 -21.078 -9.693 1.993 1.00 6.14 C ATOM 1083 ND1 HIS A 72 -20.236 -10.598 2.591 1.00 6.44 N ATOM 1084 CD2 HIS A 72 -22.106 -9.534 2.850 1.00 6.81 C ATOM 1085 CE1 HIS A 72 -20.726 -10.955 3.752 1.00 7.21 C ATOM 1086 NE2 HIS A 72 -21.860 -10.321 3.940 1.00 7.47 N ATOM 0 H HIS A 72 -23.016 -7.637 -0.682 1.00 6.33 H new ATOM 0 HA HIS A 72 -21.247 -8.645 -1.338 1.00 5.62 H new ATOM 0 HB2 HIS A 72 -19.726 -9.315 0.401 1.00 5.47 H new ATOM 0 HB3 HIS A 72 -20.689 -7.930 0.876 1.00 5.47 H new ATOM 0 HD2 HIS A 72 -22.968 -8.900 2.702 1.00 6.81 H new ATOM 0 HE1 HIS A 72 -20.273 -11.654 4.440 1.00 7.21 H new ATOM 0 HE2 HIS A 72 -22.458 -10.402 4.762 1.00 7.47 H new ATOM 1095 N PRO A 73 -21.960 -10.905 -2.340 1.00 5.90 N ATOM 1096 CA PRO A 73 -21.830 -12.218 -2.944 1.00 6.06 C ATOM 1097 C PRO A 73 -20.376 -12.595 -3.127 1.00 5.49 C ATOM 1098 O PRO A 73 -19.890 -13.570 -2.554 1.00 5.49 O ATOM 1099 CB PRO A 73 -22.542 -12.093 -4.305 1.00 6.60 C ATOM 1100 CG PRO A 73 -23.289 -10.798 -4.249 1.00 6.81 C ATOM 1101 CD PRO A 73 -22.562 -9.935 -3.256 1.00 6.21 C ATOM 0 HA PRO A 73 -22.264 -13.000 -2.320 1.00 6.06 H new ATOM 0 HB2 PRO A 73 -21.824 -12.097 -5.125 1.00 6.60 H new ATOM 0 HB3 PRO A 73 -23.220 -12.930 -4.471 1.00 6.60 H new ATOM 0 HG2 PRO A 73 -23.318 -10.323 -5.230 1.00 6.81 H new ATOM 0 HG3 PRO A 73 -24.323 -10.958 -3.942 1.00 6.81 H new ATOM 0 HD2 PRO A 73 -21.806 -9.316 -3.739 1.00 6.21 H new ATOM 0 HD3 PRO A 73 -23.242 -9.260 -2.736 1.00 6.21 H new ATOM 1109 N LYS A 74 -19.690 -11.818 -3.909 1.00 5.12 N ATOM 1110 CA LYS A 74 -18.310 -12.028 -4.159 1.00 4.75 C ATOM 1111 C LYS A 74 -17.698 -10.741 -4.634 1.00 4.46 C ATOM 1112 O LYS A 74 -18.164 -10.133 -5.599 1.00 4.75 O ATOM 1113 CB LYS A 74 -18.088 -13.199 -5.168 1.00 5.23 C ATOM 1114 CG LYS A 74 -18.763 -13.039 -6.531 1.00 5.74 C ATOM 1115 CD LYS A 74 -18.624 -14.307 -7.368 1.00 6.36 C ATOM 1116 CE LYS A 74 -19.294 -14.160 -8.728 1.00 6.91 C ATOM 1117 NZ LYS A 74 -18.611 -13.176 -9.606 1.00 7.32 N ATOM 0 H LYS A 74 -20.085 -11.012 -4.394 1.00 5.12 H new ATOM 0 HA LYS A 74 -17.813 -12.327 -3.236 1.00 4.75 H new ATOM 0 HB2 LYS A 74 -17.016 -13.319 -5.326 1.00 5.23 H new ATOM 0 HB3 LYS A 74 -18.448 -14.121 -4.711 1.00 5.23 H new ATOM 0 HG2 LYS A 74 -19.819 -12.806 -6.392 1.00 5.74 H new ATOM 0 HG3 LYS A 74 -18.318 -12.198 -7.063 1.00 5.74 H new ATOM 0 HD2 LYS A 74 -17.568 -14.538 -7.506 1.00 6.36 H new ATOM 0 HD3 LYS A 74 -19.067 -15.147 -6.833 1.00 6.36 H new ATOM 0 HE2 LYS A 74 -19.313 -15.130 -9.224 1.00 6.91 H new ATOM 0 HE3 LYS A 74 -20.330 -13.854 -8.586 1.00 6.91 H new ATOM 0 HZ1 LYS A 74 -19.308 -12.499 -9.977 1.00 7.32 H new ATOM 0 HZ2 LYS A 74 -17.889 -12.665 -9.059 1.00 7.32 H new ATOM 0 HZ3 LYS A 74 -18.156 -13.674 -10.398 1.00 7.32 H new ATOM 1131 N ALA A 75 -16.738 -10.274 -3.899 1.00 4.19 N ATOM 1132 CA ALA A 75 -15.971 -9.113 -4.325 1.00 4.02 C ATOM 1133 C ALA A 75 -14.980 -9.575 -5.394 1.00 4.43 C ATOM 1134 O ALA A 75 -14.120 -10.398 -5.128 1.00 4.52 O ATOM 1135 CB ALA A 75 -15.279 -8.426 -3.144 1.00 3.36 C ATOM 0 H ALA A 75 -16.456 -10.667 -3.001 1.00 4.19 H new ATOM 0 HA ALA A 75 -16.635 -8.358 -4.748 1.00 4.02 H new ATOM 0 HB1 ALA A 75 -14.717 -7.564 -3.503 1.00 3.36 H new ATOM 0 HB2 ALA A 75 -16.029 -8.096 -2.425 1.00 3.36 H new ATOM 0 HB3 ALA A 75 -14.598 -9.128 -2.662 1.00 3.36 H new ATOM 1141 N ASP A 76 -15.145 -9.071 -6.603 1.00 5.01 N ATOM 1142 CA ASP A 76 -14.367 -9.534 -7.759 1.00 5.63 C ATOM 1143 C ASP A 76 -13.166 -8.654 -8.002 1.00 5.81 C ATOM 1144 O ASP A 76 -12.104 -8.904 -7.500 1.00 5.63 O ATOM 1145 CB ASP A 76 -15.232 -9.553 -9.026 1.00 6.39 C ATOM 1146 CG ASP A 76 -16.502 -10.355 -8.889 1.00 6.62 C ATOM 1147 OD1 ASP A 76 -17.527 -9.775 -8.469 1.00 6.82 O ATOM 1148 OD2 ASP A 76 -16.503 -11.554 -9.200 1.00 6.80 O ATOM 0 H ASP A 76 -15.815 -8.334 -6.821 1.00 5.01 H new ATOM 0 HA ASP A 76 -14.028 -10.545 -7.531 1.00 5.63 H new ATOM 0 HB2 ASP A 76 -15.489 -8.528 -9.294 1.00 6.39 H new ATOM 0 HB3 ASP A 76 -14.644 -9.960 -9.849 1.00 6.39 H new ATOM 1153 N VAL A 77 -13.365 -7.581 -8.768 1.00 6.30 N ATOM 1154 CA VAL A 77 -12.311 -6.617 -9.021 1.00 6.58 C ATOM 1155 C VAL A 77 -12.278 -5.625 -7.886 1.00 5.93 C ATOM 1156 O VAL A 77 -11.328 -4.888 -7.698 1.00 6.00 O ATOM 1157 CB VAL A 77 -12.501 -5.874 -10.378 1.00 7.48 C ATOM 1158 CG1 VAL A 77 -12.413 -6.850 -11.537 1.00 8.15 C ATOM 1159 CG2 VAL A 77 -13.821 -5.136 -10.419 1.00 7.55 C ATOM 0 H VAL A 77 -14.252 -7.363 -9.222 1.00 6.30 H new ATOM 0 HA VAL A 77 -11.365 -7.155 -9.086 1.00 6.58 H new ATOM 0 HB VAL A 77 -11.699 -5.142 -10.471 1.00 7.48 H new ATOM 0 HG11 VAL A 77 -12.548 -6.313 -12.476 1.00 8.15 H new ATOM 0 HG12 VAL A 77 -11.436 -7.333 -11.533 1.00 8.15 H new ATOM 0 HG13 VAL A 77 -13.192 -7.606 -11.436 1.00 8.15 H new ATOM 0 HG21 VAL A 77 -13.924 -4.628 -11.378 1.00 7.55 H new ATOM 0 HG22 VAL A 77 -14.639 -5.846 -10.295 1.00 7.55 H new ATOM 0 HG23 VAL A 77 -13.852 -4.402 -9.614 1.00 7.55 H new ATOM 1169 N VAL A 78 -13.343 -5.638 -7.114 1.00 5.38 N ATOM 1170 CA VAL A 78 -13.466 -4.812 -5.955 1.00 4.74 C ATOM 1171 C VAL A 78 -13.034 -5.596 -4.737 1.00 4.00 C ATOM 1172 O VAL A 78 -13.223 -5.166 -3.629 1.00 3.42 O ATOM 1173 CB VAL A 78 -14.915 -4.282 -5.753 1.00 4.78 C ATOM 1174 CG1 VAL A 78 -15.353 -3.431 -6.938 1.00 5.65 C ATOM 1175 CG2 VAL A 78 -15.889 -5.417 -5.500 1.00 4.70 C ATOM 0 H VAL A 78 -14.153 -6.234 -7.285 1.00 5.38 H new ATOM 0 HA VAL A 78 -12.823 -3.943 -6.098 1.00 4.74 H new ATOM 0 HB VAL A 78 -14.917 -3.648 -4.867 1.00 4.78 H new ATOM 0 HG11 VAL A 78 -16.369 -3.073 -6.773 1.00 5.65 H new ATOM 0 HG12 VAL A 78 -14.680 -2.580 -7.043 1.00 5.65 H new ATOM 0 HG13 VAL A 78 -15.323 -4.031 -7.848 1.00 5.65 H new ATOM 0 HG21 VAL A 78 -16.892 -5.012 -5.363 1.00 4.70 H new ATOM 0 HG22 VAL A 78 -15.885 -6.097 -6.352 1.00 4.70 H new ATOM 0 HG23 VAL A 78 -15.591 -5.959 -4.602 1.00 4.70 H new ATOM 1185 N ALA A 79 -12.411 -6.761 -4.965 1.00 4.18 N ATOM 1186 CA ALA A 79 -11.883 -7.602 -3.865 1.00 3.76 C ATOM 1187 C ALA A 79 -10.733 -6.901 -3.115 1.00 3.69 C ATOM 1188 O ALA A 79 -10.235 -7.383 -2.082 1.00 3.56 O ATOM 1189 CB ALA A 79 -11.442 -8.946 -4.407 1.00 4.24 C ATOM 0 H ALA A 79 -12.257 -7.147 -5.896 1.00 4.18 H new ATOM 0 HA ALA A 79 -12.684 -7.761 -3.143 1.00 3.76 H new ATOM 0 HB1 ALA A 79 -11.055 -9.558 -3.592 1.00 4.24 H new ATOM 0 HB2 ALA A 79 -12.292 -9.450 -4.867 1.00 4.24 H new ATOM 0 HB3 ALA A 79 -10.661 -8.799 -5.153 1.00 4.24 H new ATOM 1195 N CYS A 80 -10.329 -5.778 -3.644 1.00 4.00 N ATOM 1196 CA CYS A 80 -9.332 -4.927 -3.053 1.00 4.07 C ATOM 1197 C CYS A 80 -9.944 -4.148 -1.888 1.00 3.33 C ATOM 1198 O CYS A 80 -9.227 -3.601 -1.022 1.00 3.38 O ATOM 1199 CB CYS A 80 -8.827 -3.987 -4.127 1.00 4.73 C ATOM 1200 SG CYS A 80 -10.129 -3.041 -4.961 1.00 5.60 S ATOM 0 H CYS A 80 -10.696 -5.419 -4.525 1.00 4.00 H new ATOM 0 HA CYS A 80 -8.502 -5.515 -2.661 1.00 4.07 H new ATOM 0 HB2 CYS A 80 -8.118 -3.291 -3.680 1.00 4.73 H new ATOM 0 HB3 CYS A 80 -8.280 -4.565 -4.872 1.00 4.73 H new ATOM 0 HG CYS A 80 -10.590 -3.728 -5.964 1.00 5.60 H new ATOM 1206 N PHE A 81 -11.263 -4.107 -1.880 1.00 2.86 N ATOM 1207 CA PHE A 81 -12.039 -3.456 -0.841 1.00 2.27 C ATOM 1208 C PHE A 81 -13.483 -4.022 -0.948 1.00 2.17 C ATOM 1209 O PHE A 81 -14.360 -3.417 -1.569 1.00 2.52 O ATOM 1210 CB PHE A 81 -12.036 -1.937 -1.073 1.00 2.41 C ATOM 1211 CG PHE A 81 -12.388 -1.074 0.115 1.00 3.01 C ATOM 1212 CD1 PHE A 81 -13.603 -1.255 0.738 1.00 3.50 C ATOM 1213 CD2 PHE A 81 -11.530 -0.110 0.608 1.00 3.67 C ATOM 1214 CE1 PHE A 81 -13.957 -0.505 1.822 1.00 4.57 C ATOM 1215 CE2 PHE A 81 -11.883 0.647 1.699 1.00 4.68 C ATOM 1216 CZ PHE A 81 -12.967 0.559 2.266 1.00 5.13 C ATOM 0 H PHE A 81 -11.836 -4.533 -2.609 1.00 2.86 H new ATOM 0 HA PHE A 81 -11.624 -3.642 0.150 1.00 2.27 H new ATOM 0 HB2 PHE A 81 -11.045 -1.647 -1.424 1.00 2.41 H new ATOM 0 HB3 PHE A 81 -12.737 -1.713 -1.877 1.00 2.41 H new ATOM 0 HD1 PHE A 81 -14.286 -2.002 0.363 1.00 3.50 H new ATOM 0 HD2 PHE A 81 -10.574 0.050 0.132 1.00 3.67 H new ATOM 0 HE1 PHE A 81 -14.893 -0.660 2.338 1.00 4.57 H new ATOM 0 HE2 PHE A 81 -11.166 1.360 2.079 1.00 4.68 H new ATOM 0 HZ PHE A 81 -13.216 1.232 3.074 1.00 5.13 H new ATOM 1226 N PRO A 82 -13.716 -5.234 -0.393 1.00 2.09 N ATOM 1227 CA PRO A 82 -14.990 -6.001 -0.550 1.00 2.39 C ATOM 1228 C PRO A 82 -16.229 -5.341 0.021 1.00 2.74 C ATOM 1229 O PRO A 82 -17.341 -5.847 -0.155 1.00 3.27 O ATOM 1230 CB PRO A 82 -14.708 -7.328 0.180 1.00 2.47 C ATOM 1231 CG PRO A 82 -13.224 -7.412 0.240 1.00 2.41 C ATOM 1232 CD PRO A 82 -12.747 -6.000 0.406 1.00 2.19 C ATOM 0 HA PRO A 82 -15.231 -6.097 -1.609 1.00 2.39 H new ATOM 0 HB2 PRO A 82 -15.146 -7.333 1.178 1.00 2.47 H new ATOM 0 HB3 PRO A 82 -15.132 -8.175 -0.359 1.00 2.47 H new ATOM 0 HG2 PRO A 82 -12.900 -8.036 1.073 1.00 2.41 H new ATOM 0 HG3 PRO A 82 -12.820 -7.858 -0.668 1.00 2.41 H new ATOM 0 HD2 PRO A 82 -12.751 -5.692 1.451 1.00 2.19 H new ATOM 0 HD3 PRO A 82 -11.729 -5.871 0.040 1.00 2.19 H new ATOM 1240 N HIS A 83 -16.069 -4.224 0.654 1.00 2.68 N ATOM 1241 CA HIS A 83 -17.209 -3.544 1.235 1.00 3.26 C ATOM 1242 C HIS A 83 -17.879 -2.680 0.167 1.00 3.66 C ATOM 1243 O HIS A 83 -18.930 -2.108 0.393 1.00 4.25 O ATOM 1244 CB HIS A 83 -16.798 -2.659 2.416 1.00 3.25 C ATOM 1245 CG HIS A 83 -16.033 -3.345 3.522 1.00 3.45 C ATOM 1246 ND1 HIS A 83 -16.631 -4.022 4.570 1.00 3.86 N ATOM 1247 CD2 HIS A 83 -14.699 -3.413 3.751 1.00 3.77 C ATOM 1248 CE1 HIS A 83 -15.690 -4.464 5.392 1.00 4.24 C ATOM 1249 NE2 HIS A 83 -14.515 -4.106 4.915 1.00 4.19 N ATOM 0 H HIS A 83 -15.172 -3.756 0.788 1.00 2.68 H new ATOM 0 HA HIS A 83 -17.901 -4.300 1.604 1.00 3.26 H new ATOM 0 HB2 HIS A 83 -16.190 -1.839 2.035 1.00 3.25 H new ATOM 0 HB3 HIS A 83 -17.698 -2.217 2.844 1.00 3.25 H new ATOM 0 HD2 HIS A 83 -13.922 -2.996 3.127 1.00 3.77 H new ATOM 0 HE1 HIS A 83 -15.858 -5.024 6.300 1.00 4.24 H new ATOM 0 HE2 HIS A 83 -13.613 -4.313 5.345 1.00 4.19 H new ATOM 1258 N LEU A 84 -17.255 -2.605 -1.004 1.00 3.56 N ATOM 1259 CA LEU A 84 -17.726 -1.733 -2.066 1.00 4.20 C ATOM 1260 C LEU A 84 -18.394 -2.516 -3.206 1.00 4.81 C ATOM 1261 O LEU A 84 -18.626 -1.958 -4.276 1.00 5.47 O ATOM 1262 CB LEU A 84 -16.554 -0.928 -2.630 1.00 4.05 C ATOM 1263 CG LEU A 84 -15.681 -0.186 -1.615 1.00 3.39 C ATOM 1264 CD1 LEU A 84 -14.604 0.619 -2.335 1.00 3.60 C ATOM 1265 CD2 LEU A 84 -16.504 0.713 -0.671 1.00 3.49 C ATOM 0 H LEU A 84 -16.419 -3.141 -1.239 1.00 3.56 H new ATOM 0 HA LEU A 84 -18.473 -1.068 -1.633 1.00 4.20 H new ATOM 0 HB2 LEU A 84 -15.916 -1.606 -3.197 1.00 4.05 H new ATOM 0 HB3 LEU A 84 -16.950 -0.198 -3.336 1.00 4.05 H new ATOM 0 HG LEU A 84 -15.203 -0.938 -0.987 1.00 3.39 H new ATOM 0 HD11 LEU A 84 -13.990 1.142 -1.602 1.00 3.60 H new ATOM 0 HD12 LEU A 84 -13.977 -0.054 -2.920 1.00 3.60 H new ATOM 0 HD13 LEU A 84 -15.075 1.345 -2.998 1.00 3.60 H new ATOM 0 HD21 LEU A 84 -15.835 1.215 0.028 1.00 3.49 H new ATOM 0 HD22 LEU A 84 -17.043 1.458 -1.256 1.00 3.49 H new ATOM 0 HD23 LEU A 84 -17.216 0.102 -0.116 1.00 3.49 H new ATOM 1277 N LYS A 85 -18.678 -3.811 -2.983 1.00 4.68 N ATOM 1278 CA LYS A 85 -19.392 -4.632 -3.993 1.00 5.28 C ATOM 1279 C LYS A 85 -20.679 -3.937 -4.494 1.00 6.06 C ATOM 1280 O LYS A 85 -20.906 -3.874 -5.707 1.00 6.40 O ATOM 1281 CB LYS A 85 -19.687 -6.048 -3.467 1.00 5.04 C ATOM 1282 CG LYS A 85 -20.420 -6.960 -4.457 1.00 5.59 C ATOM 1283 CD LYS A 85 -19.614 -7.214 -5.738 1.00 6.41 C ATOM 1284 CE LYS A 85 -20.392 -8.101 -6.703 1.00 7.19 C ATOM 1285 NZ LYS A 85 -19.650 -8.375 -7.963 1.00 8.04 N ATOM 0 H LYS A 85 -18.431 -4.311 -2.129 1.00 4.68 H new ATOM 0 HA LYS A 85 -18.726 -4.733 -4.850 1.00 5.28 H new ATOM 0 HB2 LYS A 85 -18.745 -6.520 -3.188 1.00 5.04 H new ATOM 0 HB3 LYS A 85 -20.284 -5.966 -2.559 1.00 5.04 H new ATOM 0 HG2 LYS A 85 -20.637 -7.913 -3.974 1.00 5.59 H new ATOM 0 HG3 LYS A 85 -21.378 -6.510 -4.719 1.00 5.59 H new ATOM 0 HD2 LYS A 85 -19.379 -6.264 -6.219 1.00 6.41 H new ATOM 0 HD3 LYS A 85 -18.665 -7.687 -5.487 1.00 6.41 H new ATOM 0 HE2 LYS A 85 -20.626 -9.046 -6.212 1.00 7.19 H new ATOM 0 HE3 LYS A 85 -21.342 -7.623 -6.943 1.00 7.19 H new ATOM 0 HZ1 LYS A 85 -20.246 -8.939 -8.601 1.00 8.04 H new ATOM 0 HZ2 LYS A 85 -19.404 -7.476 -8.424 1.00 8.04 H new ATOM 0 HZ3 LYS A 85 -18.780 -8.902 -7.746 1.00 8.04 H new ATOM 1299 N LYS A 86 -21.497 -3.430 -3.549 1.00 6.60 N ATOM 1300 CA LYS A 86 -22.682 -2.619 -3.848 1.00 7.50 C ATOM 1301 C LYS A 86 -23.847 -3.439 -4.411 1.00 8.13 C ATOM 1302 O LYS A 86 -24.732 -3.838 -3.598 1.00 8.62 O ATOM 1303 CB LYS A 86 -22.328 -1.414 -4.743 1.00 8.04 C ATOM 1304 CG LYS A 86 -23.486 -0.466 -5.034 1.00 8.96 C ATOM 1305 CD LYS A 86 -23.054 0.687 -5.942 1.00 9.74 C ATOM 1306 CE LYS A 86 -21.969 1.552 -5.295 1.00 10.66 C ATOM 1307 NZ LYS A 86 -21.526 2.645 -6.188 1.00 11.10 N ATOM 1308 OXT LYS A 86 -23.890 -3.665 -5.619 1.00 8.37 O ATOM 0 H LYS A 86 -21.347 -3.576 -2.551 1.00 6.60 H new ATOM 0 HA LYS A 86 -23.037 -2.226 -2.895 1.00 7.50 H new ATOM 0 HB2 LYS A 86 -21.527 -0.849 -4.266 1.00 8.04 H new ATOM 0 HB3 LYS A 86 -21.936 -1.786 -5.690 1.00 8.04 H new ATOM 0 HG2 LYS A 86 -24.299 -1.018 -5.507 1.00 8.96 H new ATOM 0 HG3 LYS A 86 -23.874 -0.067 -4.097 1.00 8.96 H new ATOM 0 HD2 LYS A 86 -22.683 0.286 -6.885 1.00 9.74 H new ATOM 0 HD3 LYS A 86 -23.919 1.307 -6.177 1.00 9.74 H new ATOM 0 HE2 LYS A 86 -22.349 1.975 -4.365 1.00 10.66 H new ATOM 0 HE3 LYS A 86 -21.114 0.927 -5.035 1.00 10.66 H new ATOM 0 HZ1 LYS A 86 -20.791 3.206 -5.712 1.00 11.10 H new ATOM 0 HZ2 LYS A 86 -21.139 2.242 -7.065 1.00 11.10 H new ATOM 0 HZ3 LYS A 86 -22.336 3.257 -6.416 1.00 11.10 H new TER 1322 LYS A 86