USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 734 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 38 LYS NZ :NH3+ -151:sc= -0.0249! (180deg=0) USER MOD Set 1.2: A 53 CYS SG : rot -32:sc= 1.13 USER MOD Set 2.1: A 7 HIS : no HD1:sc= 0 X(o=-0.57,f=-0.57) USER MOD Set 2.2: A 8 HIS :FLIP no HD1:sc= -0.573 F(o=-2.5,f=-0.57) USER MOD Single : A 1 MET CE :methyl -137:sc= -0.228 (180deg=-1.35!) USER MOD Single : A 1 MET N :NH3+ -136:sc=0.000243 (180deg=-0.557) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS :FLIP no HD1:sc= -1.7 F(o=-3,f=-1.7) USER MOD Single : A 11 MET CE :methyl -156:sc= -0.0694 (180deg=-0.799) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -24:sc= 0.32 USER MOD Single : A 18 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.39) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -1.74! C(o=-1.7!,f=-9.4!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -1.59 K(o=-1.6,f=-5.7!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 42 SER OG : rot 88:sc= 1.23 USER MOD Single : A 43 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.2) USER MOD Single : A 44 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 45 THR OG1 : rot -75:sc= 0.543 USER MOD Single : A 46 HIS : no HE2:sc= -0.104 K(o=-0.1,f=-4.2!) USER MOD Single : A 48 SER OG : rot 180:sc= -0.38 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.37) USER MOD Single : A 54 ASN : amide:sc= -1.21 X(o=-1.2,f=-1.4) USER MOD Single : A 58 ASN : amide:sc=-0.00191 K(o=-0.0019,f=-0.87) USER MOD Single : A 67 MET CE :methyl -139:sc= -0.115 (180deg=-0.893) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.103) USER MOD Single : A 76 ASN : amide:sc= -0.105 K(o=-0.11,f=-1.7!) USER MOD Single : A 77 GLN : amide:sc= -0.178 K(o=-0.18,f=-0.88) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 52:sc= 0.235 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= -0.472 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.897 24.631 -17.672 1.00 0.00 N ATOM 2 CA MET A 1 3.361 24.473 -17.440 1.00 0.00 C ATOM 3 C MET A 1 3.638 23.129 -16.762 1.00 0.00 C ATOM 4 O MET A 1 2.824 22.227 -16.784 1.00 0.00 O ATOM 5 CB MET A 1 3.854 25.604 -16.538 1.00 0.00 C ATOM 6 CG MET A 1 3.663 26.949 -17.243 1.00 0.00 C ATOM 7 SD MET A 1 4.687 27.014 -18.736 1.00 0.00 S ATOM 8 CE MET A 1 6.303 26.980 -17.917 1.00 0.00 C ATOM 0 H1 MET A 1 1.736 25.004 -18.629 1.00 0.00 H new ATOM 0 H2 MET A 1 1.429 23.707 -17.577 1.00 0.00 H new ATOM 0 H3 MET A 1 1.504 25.292 -16.972 1.00 0.00 H new ATOM 0 HA MET A 1 3.883 24.508 -18.396 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.306 25.596 -15.596 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.906 25.456 -16.296 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.614 27.086 -17.505 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.933 27.763 -16.571 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.967 27.702 -18.392 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.183 27.235 -16.864 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.733 25.982 -18.002 1.00 0.00 H new ATOM 20 N GLY A 2 4.789 22.990 -16.163 1.00 0.00 N ATOM 21 CA GLY A 2 5.129 21.705 -15.486 1.00 0.00 C ATOM 22 C GLY A 2 6.508 21.810 -14.823 1.00 0.00 C ATOM 23 O GLY A 2 6.676 22.455 -13.806 1.00 0.00 O ATOM 0 H GLY A 2 5.509 23.710 -16.113 1.00 0.00 H new ATOM 0 HA2 GLY A 2 4.373 21.468 -14.737 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.126 20.891 -16.211 1.00 0.00 H new ATOM 27 N HIS A 3 7.489 21.170 -15.402 1.00 0.00 N ATOM 28 CA HIS A 3 8.873 21.205 -14.833 1.00 0.00 C ATOM 29 C HIS A 3 8.815 20.984 -13.317 1.00 0.00 C ATOM 30 O HIS A 3 8.793 21.913 -12.533 1.00 0.00 O ATOM 31 CB HIS A 3 9.542 22.547 -15.155 1.00 0.00 C ATOM 32 CG HIS A 3 9.707 22.674 -16.647 1.00 0.00 C ATOM 33 ND1 HIS A 3 10.641 21.932 -17.355 1.00 0.00 N ATOM 34 CD2 HIS A 3 9.062 23.450 -17.578 1.00 0.00 C ATOM 35 CE1 HIS A 3 10.533 22.276 -18.653 1.00 0.00 C ATOM 36 NE2 HIS A 3 9.586 23.196 -18.844 1.00 0.00 N ATOM 0 H HIS A 3 7.392 20.618 -16.254 1.00 0.00 H new ATOM 0 HA HIS A 3 9.466 20.408 -15.282 1.00 0.00 H new ATOM 0 HB2 HIS A 3 8.937 23.369 -14.773 1.00 0.00 H new ATOM 0 HB3 HIS A 3 10.513 22.610 -14.663 1.00 0.00 H new ATOM 0 HD2 HIS A 3 8.269 24.151 -17.362 1.00 0.00 H new ATOM 0 HE1 HIS A 3 11.139 21.858 -19.443 1.00 0.00 H new ATOM 0 HE2 HIS A 3 9.306 23.622 -19.727 1.00 0.00 H new ATOM 44 N HIS A 4 8.788 19.743 -12.907 1.00 0.00 N ATOM 45 CA HIS A 4 8.722 19.427 -11.451 1.00 0.00 C ATOM 46 C HIS A 4 10.120 19.514 -10.826 1.00 0.00 C ATOM 47 O HIS A 4 11.095 19.042 -11.379 1.00 0.00 O ATOM 48 CB HIS A 4 8.159 18.014 -11.266 1.00 0.00 C ATOM 49 CG HIS A 4 6.733 17.981 -11.742 1.00 0.00 C ATOM 50 ND1 HIS A 4 6.397 17.670 -13.052 1.00 0.00 N ATOM 51 CD2 HIS A 4 5.545 18.224 -11.099 1.00 0.00 C ATOM 52 CE1 HIS A 4 5.055 17.732 -13.151 1.00 0.00 C ATOM 53 NE2 HIS A 4 4.487 18.066 -11.989 1.00 0.00 N ATOM 0 H HIS A 4 8.809 18.930 -13.523 1.00 0.00 H new ATOM 0 HA HIS A 4 8.072 20.149 -10.956 1.00 0.00 H new ATOM 0 HB2 HIS A 4 8.758 17.295 -11.825 1.00 0.00 H new ATOM 0 HB3 HIS A 4 8.211 17.724 -10.217 1.00 0.00 H new ATOM 0 HD2 HIS A 4 5.446 18.497 -10.059 1.00 0.00 H new ATOM 0 HE1 HIS A 4 4.505 17.536 -14.060 1.00 0.00 H new ATOM 0 HE2 HIS A 4 3.492 18.181 -11.796 1.00 0.00 H new ATOM 61 N HIS A 5 10.210 20.113 -9.670 1.00 0.00 N ATOM 62 CA HIS A 5 11.527 20.243 -8.978 1.00 0.00 C ATOM 63 C HIS A 5 12.008 18.860 -8.515 1.00 0.00 C ATOM 64 O HIS A 5 13.189 18.569 -8.500 1.00 0.00 O ATOM 65 CB HIS A 5 11.366 21.154 -7.758 1.00 0.00 C ATOM 66 CG HIS A 5 11.069 22.563 -8.203 1.00 0.00 C ATOM 67 ND1 HIS A 5 12.059 23.414 -8.666 1.00 0.00 N ATOM 68 CD2 HIS A 5 9.900 23.286 -8.254 1.00 0.00 C ATOM 69 CE1 HIS A 5 11.477 24.587 -8.972 1.00 0.00 C ATOM 70 NE2 HIS A 5 10.163 24.564 -8.741 1.00 0.00 N ATOM 0 H HIS A 5 9.421 20.522 -9.170 1.00 0.00 H new ATOM 0 HA HIS A 5 12.257 20.669 -9.666 1.00 0.00 H new ATOM 0 HB2 HIS A 5 10.560 20.787 -7.123 1.00 0.00 H new ATOM 0 HB3 HIS A 5 12.276 21.137 -7.159 1.00 0.00 H new ATOM 0 HD2 HIS A 5 8.927 22.919 -7.961 1.00 0.00 H new ATOM 0 HE1 HIS A 5 12.009 25.444 -9.358 1.00 0.00 H new ATOM 0 HE2 HIS A 5 9.495 25.320 -8.889 1.00 0.00 H new ATOM 78 N HIS A 6 11.095 18.010 -8.129 1.00 0.00 N ATOM 79 CA HIS A 6 11.484 16.647 -7.656 1.00 0.00 C ATOM 80 C HIS A 6 12.257 15.921 -8.761 1.00 0.00 C ATOM 81 O HIS A 6 13.236 15.254 -8.502 1.00 0.00 O ATOM 82 CB HIS A 6 10.222 15.850 -7.312 1.00 0.00 C ATOM 83 CG HIS A 6 9.542 16.469 -6.122 1.00 0.00 C ATOM 84 ND1 HIS A 6 10.093 16.426 -4.850 1.00 0.00 N ATOM 85 CD2 HIS A 6 8.353 17.144 -5.989 1.00 0.00 C ATOM 86 CE1 HIS A 6 9.245 17.059 -4.018 1.00 0.00 C ATOM 87 NE2 HIS A 6 8.168 17.515 -4.660 1.00 0.00 N ATOM 0 H HIS A 6 10.093 18.200 -8.120 1.00 0.00 H new ATOM 0 HA HIS A 6 12.114 16.736 -6.771 1.00 0.00 H new ATOM 0 HB2 HIS A 6 9.544 15.838 -8.165 1.00 0.00 H new ATOM 0 HB3 HIS A 6 10.482 14.814 -7.096 1.00 0.00 H new ATOM 0 HD2 HIS A 6 7.665 17.355 -6.794 1.00 0.00 H new ATOM 0 HE1 HIS A 6 9.416 17.183 -2.959 1.00 0.00 H new ATOM 0 HE2 HIS A 6 7.379 18.025 -4.263 1.00 0.00 H new ATOM 95 N HIS A 7 11.814 16.055 -9.984 1.00 0.00 N ATOM 96 CA HIS A 7 12.504 15.382 -11.131 1.00 0.00 C ATOM 97 C HIS A 7 12.512 13.865 -10.920 1.00 0.00 C ATOM 98 O HIS A 7 11.847 13.124 -11.619 1.00 0.00 O ATOM 99 CB HIS A 7 13.949 15.882 -11.235 1.00 0.00 C ATOM 100 CG HIS A 7 14.553 15.408 -12.527 1.00 0.00 C ATOM 101 ND1 HIS A 7 14.248 15.995 -13.744 1.00 0.00 N ATOM 102 CD2 HIS A 7 15.451 14.406 -12.809 1.00 0.00 C ATOM 103 CE1 HIS A 7 14.951 15.352 -14.693 1.00 0.00 C ATOM 104 NE2 HIS A 7 15.701 14.373 -14.178 1.00 0.00 N ATOM 0 H HIS A 7 10.996 16.607 -10.242 1.00 0.00 H new ATOM 0 HA HIS A 7 11.968 15.619 -12.050 1.00 0.00 H new ATOM 0 HB2 HIS A 7 13.972 16.971 -11.188 1.00 0.00 H new ATOM 0 HB3 HIS A 7 14.534 15.514 -10.392 1.00 0.00 H new ATOM 0 HD2 HIS A 7 15.895 13.745 -12.079 1.00 0.00 H new ATOM 0 HE1 HIS A 7 14.914 15.597 -15.744 1.00 0.00 H new ATOM 0 HE2 HIS A 7 16.322 13.739 -14.680 1.00 0.00 H new ATOM 112 N HIS A 8 13.269 13.394 -9.967 1.00 0.00 N ATOM 113 CA HIS A 8 13.329 11.926 -9.712 1.00 0.00 C ATOM 114 C HIS A 8 13.640 11.667 -8.234 1.00 0.00 C ATOM 115 O HIS A 8 14.311 12.443 -7.582 1.00 0.00 O ATOM 116 CB HIS A 8 14.424 11.302 -10.582 1.00 0.00 C ATOM 117 CG HIS A 8 15.779 11.811 -10.158 1.00 0.00 C ATOM 118 ND1 HIS A 8 16.183 12.961 -9.520 1.00 0.00 N flip ATOM 119 CD2 HIS A 8 16.938 11.084 -10.387 1.00 0.00 C flip ATOM 120 CE1 HIS A 8 17.564 12.946 -9.355 1.00 0.00 C flip ATOM 121 NE2 HIS A 8 17.969 11.793 -9.894 1.00 0.00 N flip ATOM 0 H HIS A 8 13.850 13.964 -9.352 1.00 0.00 H new ATOM 0 HA HIS A 8 12.366 11.479 -9.959 1.00 0.00 H new ATOM 0 HB2 HIS A 8 14.392 10.216 -10.496 1.00 0.00 H new ATOM 0 HB3 HIS A 8 14.248 11.544 -11.630 1.00 0.00 H new ATOM 0 HD2 HIS A 8 17.001 10.122 -10.874 1.00 0.00 H new ATOM 0 HE1 HIS A 8 18.177 13.704 -8.891 1.00 0.00 H new ATOM 0 HE2 HIS A 8 18.942 11.487 -9.928 1.00 0.00 H new ATOM 129 N SER A 9 13.153 10.575 -7.703 1.00 0.00 N ATOM 130 CA SER A 9 13.412 10.253 -6.267 1.00 0.00 C ATOM 131 C SER A 9 13.189 8.757 -6.014 1.00 0.00 C ATOM 132 O SER A 9 12.589 8.059 -6.808 1.00 0.00 O ATOM 133 CB SER A 9 12.477 11.067 -5.374 1.00 0.00 C ATOM 134 OG SER A 9 11.137 10.891 -5.812 1.00 0.00 O ATOM 0 H SER A 9 12.586 9.891 -8.203 1.00 0.00 H new ATOM 0 HA SER A 9 14.446 10.505 -6.032 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.577 10.748 -4.337 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.748 12.122 -5.411 1.00 0.00 H new ATOM 0 HG SER A 9 10.535 11.411 -5.240 1.00 0.00 H new ATOM 140 N HIS A 10 13.681 8.268 -4.905 1.00 0.00 N ATOM 141 CA HIS A 10 13.533 6.819 -4.566 1.00 0.00 C ATOM 142 C HIS A 10 12.055 6.424 -4.437 1.00 0.00 C ATOM 143 O HIS A 10 11.191 6.951 -5.109 1.00 0.00 O ATOM 144 CB HIS A 10 14.243 6.541 -3.238 1.00 0.00 C ATOM 145 CG HIS A 10 13.559 7.291 -2.124 1.00 0.00 C ATOM 146 ND1 HIS A 10 12.560 6.931 -1.251 1.00 0.00 N flip ATOM 147 CD2 HIS A 10 13.898 8.594 -1.790 1.00 0.00 C flip ATOM 148 CE1 HIS A 10 12.284 7.990 -0.391 1.00 0.00 C flip ATOM 149 NE2 HIS A 10 13.117 8.966 -0.757 1.00 0.00 N flip ATOM 0 H HIS A 10 14.186 8.818 -4.210 1.00 0.00 H new ATOM 0 HA HIS A 10 13.977 6.231 -5.370 1.00 0.00 H new ATOM 0 HB2 HIS A 10 14.234 5.472 -3.028 1.00 0.00 H new ATOM 0 HB3 HIS A 10 15.288 6.844 -3.304 1.00 0.00 H new ATOM 0 HD2 HIS A 10 14.651 9.200 -2.271 1.00 0.00 H new ATOM 0 HE1 HIS A 10 11.552 8.016 0.403 1.00 0.00 H new ATOM 0 HE2 HIS A 10 13.158 9.882 -0.310 1.00 0.00 H new ATOM 157 N MET A 11 11.772 5.470 -3.584 1.00 0.00 N ATOM 158 CA MET A 11 10.367 5.002 -3.407 1.00 0.00 C ATOM 159 C MET A 11 9.577 5.986 -2.545 1.00 0.00 C ATOM 160 O MET A 11 10.018 7.084 -2.259 1.00 0.00 O ATOM 161 CB MET A 11 10.360 3.628 -2.736 1.00 0.00 C ATOM 162 CG MET A 11 10.959 2.587 -3.685 1.00 0.00 C ATOM 163 SD MET A 11 10.802 0.938 -2.953 1.00 0.00 S ATOM 164 CE MET A 11 11.979 1.159 -1.596 1.00 0.00 C ATOM 0 H MET A 11 12.460 4.994 -3.000 1.00 0.00 H new ATOM 0 HA MET A 11 9.900 4.936 -4.390 1.00 0.00 H new ATOM 0 HB2 MET A 11 10.933 3.662 -1.810 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.341 3.348 -2.470 1.00 0.00 H new ATOM 0 HG2 MET A 11 10.447 2.619 -4.647 1.00 0.00 H new ATOM 0 HG3 MET A 11 12.008 2.814 -3.875 1.00 0.00 H new ATOM 0 HE1 MET A 11 12.359 0.187 -1.282 1.00 0.00 H new ATOM 0 HE2 MET A 11 12.808 1.782 -1.932 1.00 0.00 H new ATOM 0 HE3 MET A 11 11.480 1.642 -0.756 1.00 0.00 H new ATOM 174 N LEU A 12 8.393 5.602 -2.155 1.00 0.00 N ATOM 175 CA LEU A 12 7.546 6.514 -1.341 1.00 0.00 C ATOM 176 C LEU A 12 8.147 6.700 0.063 1.00 0.00 C ATOM 177 O LEU A 12 8.930 5.892 0.523 1.00 0.00 O ATOM 178 CB LEU A 12 6.125 5.920 -1.227 1.00 0.00 C ATOM 179 CG LEU A 12 5.246 6.440 -2.367 1.00 0.00 C ATOM 180 CD1 LEU A 12 5.860 6.033 -3.706 1.00 0.00 C ATOM 181 CD2 LEU A 12 3.842 5.844 -2.248 1.00 0.00 C ATOM 0 H LEU A 12 7.976 4.695 -2.366 1.00 0.00 H new ATOM 0 HA LEU A 12 7.502 7.488 -1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.173 4.832 -1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.686 6.189 -0.266 1.00 0.00 H new ATOM 0 HG LEU A 12 5.182 7.527 -2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.236 6.402 -4.520 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.859 6.460 -3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.924 4.946 -3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.219 6.216 -3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.902 4.757 -2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.404 6.133 -1.293 1.00 0.00 H new ATOM 193 N PRO A 13 7.766 7.761 0.744 1.00 0.00 N ATOM 194 CA PRO A 13 8.251 8.043 2.126 1.00 0.00 C ATOM 195 C PRO A 13 8.108 6.847 3.074 1.00 0.00 C ATOM 196 O PRO A 13 7.187 6.058 2.979 1.00 0.00 O ATOM 197 CB PRO A 13 7.362 9.213 2.589 1.00 0.00 C ATOM 198 CG PRO A 13 6.950 9.902 1.334 1.00 0.00 C ATOM 199 CD PRO A 13 6.838 8.811 0.271 1.00 0.00 C ATOM 0 HA PRO A 13 9.318 8.268 2.134 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.496 8.855 3.146 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.908 9.887 3.249 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.998 10.417 1.466 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.683 10.655 1.044 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.818 8.436 0.189 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.122 9.182 -0.714 1.00 0.00 H new ATOM 207 N LYS A 14 9.031 6.715 3.983 1.00 0.00 N ATOM 208 CA LYS A 14 8.994 5.579 4.949 1.00 0.00 C ATOM 209 C LYS A 14 7.693 5.636 5.757 1.00 0.00 C ATOM 210 O LYS A 14 7.041 4.634 5.981 1.00 0.00 O ATOM 211 CB LYS A 14 10.186 5.705 5.903 1.00 0.00 C ATOM 212 CG LYS A 14 10.244 4.482 6.824 1.00 0.00 C ATOM 213 CD LYS A 14 11.471 4.581 7.736 1.00 0.00 C ATOM 214 CE LYS A 14 11.534 3.349 8.643 1.00 0.00 C ATOM 215 NZ LYS A 14 12.731 3.443 9.528 1.00 0.00 N ATOM 0 H LYS A 14 9.819 7.352 4.101 1.00 0.00 H new ATOM 0 HA LYS A 14 9.043 4.633 4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.112 5.788 5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.094 6.615 6.496 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.336 4.423 7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.293 3.569 6.230 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.378 4.651 7.136 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.417 5.487 8.339 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.628 3.281 9.245 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.585 2.443 8.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.774 2.606 10.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.591 3.488 8.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.664 4.300 10.113 1.00 0.00 H new ATOM 229 N GLU A 15 7.309 6.802 6.196 1.00 0.00 N ATOM 230 CA GLU A 15 6.049 6.928 6.988 1.00 0.00 C ATOM 231 C GLU A 15 4.856 6.499 6.128 1.00 0.00 C ATOM 232 O GLU A 15 3.993 5.758 6.561 1.00 0.00 O ATOM 233 CB GLU A 15 5.862 8.390 7.401 1.00 0.00 C ATOM 234 CG GLU A 15 6.968 8.809 8.370 1.00 0.00 C ATOM 235 CD GLU A 15 6.823 8.031 9.679 1.00 0.00 C ATOM 236 OE1 GLU A 15 5.737 7.540 9.935 1.00 0.00 O ATOM 237 OE2 GLU A 15 7.801 7.942 10.404 1.00 0.00 O ATOM 0 H GLU A 15 7.812 7.676 6.041 1.00 0.00 H new ATOM 0 HA GLU A 15 6.111 6.293 7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.879 9.030 6.519 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.887 8.521 7.871 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.945 8.617 7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.910 9.880 8.563 1.00 0.00 H new ATOM 244 N SER A 16 4.801 6.963 4.911 1.00 0.00 N ATOM 245 CA SER A 16 3.668 6.587 4.012 1.00 0.00 C ATOM 246 C SER A 16 3.772 5.106 3.638 1.00 0.00 C ATOM 247 O SER A 16 2.787 4.394 3.574 1.00 0.00 O ATOM 248 CB SER A 16 3.736 7.435 2.742 1.00 0.00 C ATOM 249 OG SER A 16 4.986 7.222 2.097 1.00 0.00 O ATOM 0 H SER A 16 5.492 7.588 4.497 1.00 0.00 H new ATOM 0 HA SER A 16 2.723 6.762 4.526 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.919 7.171 2.071 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.617 8.490 2.989 1.00 0.00 H new ATOM 0 HG SER A 16 5.647 6.921 2.755 1.00 0.00 H new ATOM 255 N VAL A 17 4.961 4.641 3.393 1.00 0.00 N ATOM 256 CA VAL A 17 5.152 3.206 3.024 1.00 0.00 C ATOM 257 C VAL A 17 4.760 2.317 4.209 1.00 0.00 C ATOM 258 O VAL A 17 4.101 1.308 4.057 1.00 0.00 O ATOM 259 CB VAL A 17 6.626 2.972 2.668 1.00 0.00 C ATOM 260 CG1 VAL A 17 6.904 1.467 2.564 1.00 0.00 C ATOM 261 CG2 VAL A 17 6.945 3.643 1.323 1.00 0.00 C ATOM 0 H VAL A 17 5.818 5.193 3.432 1.00 0.00 H new ATOM 0 HA VAL A 17 4.525 2.958 2.167 1.00 0.00 H new ATOM 0 HB VAL A 17 7.254 3.402 3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.952 1.307 2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.684 0.990 3.519 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.273 1.033 1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.992 3.476 1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.313 3.216 0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.756 4.714 1.397 1.00 0.00 H new ATOM 271 N GLN A 18 5.172 2.688 5.387 1.00 0.00 N ATOM 272 CA GLN A 18 4.839 1.874 6.592 1.00 0.00 C ATOM 273 C GLN A 18 3.319 1.834 6.785 1.00 0.00 C ATOM 274 O GLN A 18 2.745 0.803 7.076 1.00 0.00 O ATOM 275 CB GLN A 18 5.486 2.519 7.822 1.00 0.00 C ATOM 276 CG GLN A 18 6.988 2.221 7.839 1.00 0.00 C ATOM 277 CD GLN A 18 7.211 0.740 8.150 1.00 0.00 C ATOM 278 OE1 GLN A 18 6.693 0.227 9.122 1.00 0.00 O ATOM 279 NE2 GLN A 18 7.964 0.026 7.359 1.00 0.00 N ATOM 0 H GLN A 18 5.728 3.523 5.570 1.00 0.00 H new ATOM 0 HA GLN A 18 5.213 0.858 6.461 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.321 3.596 7.808 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.021 2.137 8.731 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.430 2.472 6.875 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.484 2.839 8.587 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.399 0.457 6.543 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.118 -0.963 7.557 1.00 0.00 H new ATOM 288 N ILE A 19 2.664 2.951 6.628 1.00 0.00 N ATOM 289 CA ILE A 19 1.181 2.974 6.804 1.00 0.00 C ATOM 290 C ILE A 19 0.526 2.112 5.719 1.00 0.00 C ATOM 291 O ILE A 19 -0.346 1.307 5.986 1.00 0.00 O ATOM 292 CB ILE A 19 0.686 4.419 6.680 1.00 0.00 C ATOM 293 CG1 ILE A 19 1.186 5.232 7.876 1.00 0.00 C ATOM 294 CG2 ILE A 19 -0.846 4.443 6.652 1.00 0.00 C ATOM 295 CD1 ILE A 19 0.958 6.725 7.623 1.00 0.00 C ATOM 0 H ILE A 19 3.088 3.847 6.386 1.00 0.00 H new ATOM 0 HA ILE A 19 0.918 2.579 7.785 1.00 0.00 H new ATOM 0 HB ILE A 19 1.069 4.852 5.756 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.663 4.923 8.781 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.246 5.040 8.040 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.192 5.473 6.564 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.203 3.866 5.799 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.234 4.008 7.573 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.316 7.298 8.478 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.502 7.030 6.729 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.107 6.912 7.481 1.00 0.00 H new ATOM 307 N LEU A 20 0.948 2.274 4.499 1.00 0.00 N ATOM 308 CA LEU A 20 0.365 1.464 3.387 1.00 0.00 C ATOM 309 C LEU A 20 0.745 -0.006 3.576 1.00 0.00 C ATOM 310 O LEU A 20 -0.056 -0.902 3.386 1.00 0.00 O ATOM 311 CB LEU A 20 0.914 1.968 2.051 1.00 0.00 C ATOM 312 CG LEU A 20 0.359 3.370 1.757 1.00 0.00 C ATOM 313 CD1 LEU A 20 1.084 3.961 0.541 1.00 0.00 C ATOM 314 CD2 LEU A 20 -1.160 3.303 1.482 1.00 0.00 C ATOM 0 H LEU A 20 1.674 2.934 4.219 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.721 1.561 3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.003 1.997 2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.636 1.282 1.251 1.00 0.00 H new ATOM 0 HG LEU A 20 0.525 4.007 2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.691 4.956 0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.151 4.029 0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.925 3.318 -0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.537 4.305 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.346 2.661 0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.670 2.896 2.355 1.00 0.00 H new ATOM 326 N ARG A 21 1.965 -0.254 3.949 1.00 0.00 N ATOM 327 CA ARG A 21 2.423 -1.658 4.158 1.00 0.00 C ATOM 328 C ARG A 21 1.646 -2.272 5.322 1.00 0.00 C ATOM 329 O ARG A 21 1.233 -3.415 5.282 1.00 0.00 O ATOM 330 CB ARG A 21 3.917 -1.659 4.488 1.00 0.00 C ATOM 331 CG ARG A 21 4.415 -3.102 4.609 1.00 0.00 C ATOM 332 CD ARG A 21 5.919 -3.100 4.896 1.00 0.00 C ATOM 333 NE ARG A 21 6.438 -4.498 4.838 1.00 0.00 N ATOM 334 CZ ARG A 21 6.414 -5.265 5.897 1.00 0.00 C ATOM 335 NH1 ARG A 21 5.932 -4.820 7.026 1.00 0.00 N ATOM 336 NH2 ARG A 21 6.873 -6.483 5.821 1.00 0.00 N ATOM 0 H ARG A 21 2.673 0.460 4.120 1.00 0.00 H new ATOM 0 HA ARG A 21 2.249 -2.240 3.253 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.472 -1.136 3.709 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.094 -1.123 5.420 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.882 -3.616 5.409 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.210 -3.647 3.688 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.438 -2.477 4.167 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.112 -2.669 5.879 1.00 0.00 H new ATOM 0 HE ARG A 21 6.816 -4.859 3.962 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.571 -3.868 7.086 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.917 -5.424 7.848 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.248 -6.833 4.939 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.857 -7.086 6.643 1.00 0.00 H new ATOM 350 N ASP A 22 1.449 -1.516 6.362 1.00 0.00 N ATOM 351 CA ASP A 22 0.704 -2.033 7.547 1.00 0.00 C ATOM 352 C ASP A 22 -0.726 -2.391 7.125 1.00 0.00 C ATOM 353 O ASP A 22 -1.285 -3.387 7.547 1.00 0.00 O ATOM 354 CB ASP A 22 0.655 -0.938 8.623 1.00 0.00 C ATOM 355 CG ASP A 22 1.972 -0.900 9.406 1.00 0.00 C ATOM 356 OD1 ASP A 22 2.712 -1.865 9.343 1.00 0.00 O ATOM 357 OD2 ASP A 22 2.218 0.105 10.055 1.00 0.00 O ATOM 0 H ASP A 22 1.774 -0.553 6.446 1.00 0.00 H new ATOM 0 HA ASP A 22 1.203 -2.918 7.942 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.473 0.031 8.157 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.175 -1.125 9.304 1.00 0.00 H new ATOM 362 N TRP A 23 -1.322 -1.579 6.300 1.00 0.00 N ATOM 363 CA TRP A 23 -2.717 -1.854 5.850 1.00 0.00 C ATOM 364 C TRP A 23 -2.777 -3.208 5.133 1.00 0.00 C ATOM 365 O TRP A 23 -3.638 -4.027 5.391 1.00 0.00 O ATOM 366 CB TRP A 23 -3.149 -0.759 4.874 1.00 0.00 C ATOM 367 CG TRP A 23 -4.562 -0.995 4.457 1.00 0.00 C ATOM 368 CD1 TRP A 23 -4.953 -1.799 3.440 1.00 0.00 C ATOM 369 CD2 TRP A 23 -5.778 -0.431 5.023 1.00 0.00 C ATOM 370 NE1 TRP A 23 -6.331 -1.771 3.355 1.00 0.00 N ATOM 371 CE2 TRP A 23 -6.886 -0.940 4.308 1.00 0.00 C ATOM 372 CE3 TRP A 23 -6.023 0.463 6.080 1.00 0.00 C ATOM 373 CZ2 TRP A 23 -8.191 -0.575 4.629 1.00 0.00 C ATOM 374 CZ3 TRP A 23 -7.338 0.834 6.407 1.00 0.00 C ATOM 375 CH2 TRP A 23 -8.420 0.314 5.684 1.00 0.00 C ATOM 0 H TRP A 23 -0.903 -0.732 5.915 1.00 0.00 H new ATOM 0 HA TRP A 23 -3.378 -1.873 6.716 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -3.056 0.220 5.344 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.496 -0.757 4.001 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.295 -2.369 2.800 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -6.873 -2.300 2.672 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -5.195 0.867 6.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -9.021 -0.976 4.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -7.516 1.523 7.219 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.429 0.599 5.941 1.00 0.00 H new ATOM 386 N LEU A 24 -1.872 -3.438 4.226 1.00 0.00 N ATOM 387 CA LEU A 24 -1.871 -4.729 3.475 1.00 0.00 C ATOM 388 C LEU A 24 -1.613 -5.893 4.440 1.00 0.00 C ATOM 389 O LEU A 24 -2.237 -6.934 4.361 1.00 0.00 O ATOM 390 CB LEU A 24 -0.760 -4.688 2.415 1.00 0.00 C ATOM 391 CG LEU A 24 -0.747 -5.994 1.601 1.00 0.00 C ATOM 392 CD1 LEU A 24 -2.090 -6.176 0.873 1.00 0.00 C ATOM 393 CD2 LEU A 24 0.395 -5.938 0.576 1.00 0.00 C ATOM 0 H LEU A 24 -1.129 -2.788 3.969 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.839 -4.873 2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.915 -3.839 1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.207 -4.543 2.897 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.595 -6.838 2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.071 -7.103 0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.897 -6.218 1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.255 -5.336 0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.409 -6.861 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.242 -5.091 -0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.346 -5.822 1.096 1.00 0.00 H new ATOM 405 N TYR A 25 -0.689 -5.725 5.342 1.00 0.00 N ATOM 406 CA TYR A 25 -0.378 -6.819 6.312 1.00 0.00 C ATOM 407 C TYR A 25 -1.607 -7.090 7.186 1.00 0.00 C ATOM 408 O TYR A 25 -1.918 -8.220 7.512 1.00 0.00 O ATOM 409 CB TYR A 25 0.796 -6.402 7.197 1.00 0.00 C ATOM 410 CG TYR A 25 1.131 -7.529 8.145 1.00 0.00 C ATOM 411 CD1 TYR A 25 1.936 -8.588 7.711 1.00 0.00 C ATOM 412 CD2 TYR A 25 0.631 -7.519 9.453 1.00 0.00 C ATOM 413 CE1 TYR A 25 2.245 -9.637 8.584 1.00 0.00 C ATOM 414 CE2 TYR A 25 0.939 -8.569 10.326 1.00 0.00 C ATOM 415 CZ TYR A 25 1.746 -9.629 9.892 1.00 0.00 C ATOM 416 OH TYR A 25 2.047 -10.665 10.753 1.00 0.00 O ATOM 0 H TYR A 25 -0.133 -4.877 5.453 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.114 -7.724 5.765 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.662 -6.160 6.581 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.542 -5.503 7.758 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.319 -8.596 6.701 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.009 -6.702 9.788 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.868 -10.453 8.249 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.554 -8.562 11.335 1.00 0.00 H new ATOM 0 HH TYR A 25 1.622 -10.503 11.621 1.00 0.00 H new ATOM 426 N GLU A 26 -2.303 -6.056 7.571 1.00 0.00 N ATOM 427 CA GLU A 26 -3.518 -6.238 8.423 1.00 0.00 C ATOM 428 C GLU A 26 -4.591 -6.990 7.633 1.00 0.00 C ATOM 429 O GLU A 26 -5.298 -7.823 8.165 1.00 0.00 O ATOM 430 CB GLU A 26 -4.059 -4.863 8.829 1.00 0.00 C ATOM 431 CG GLU A 26 -3.142 -4.229 9.877 1.00 0.00 C ATOM 432 CD GLU A 26 -3.318 -4.942 11.221 1.00 0.00 C ATOM 433 OE1 GLU A 26 -4.354 -5.558 11.409 1.00 0.00 O ATOM 434 OE2 GLU A 26 -2.413 -4.862 12.035 1.00 0.00 O ATOM 0 H GLU A 26 -2.084 -5.089 7.333 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.256 -6.810 9.313 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.126 -4.217 7.954 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.068 -4.964 9.229 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.103 -4.296 9.553 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.375 -3.170 9.984 1.00 0.00 H new ATOM 441 N HIS A 27 -4.720 -6.699 6.364 1.00 0.00 N ATOM 442 CA HIS A 27 -5.748 -7.386 5.518 1.00 0.00 C ATOM 443 C HIS A 27 -5.065 -7.970 4.277 1.00 0.00 C ATOM 444 O HIS A 27 -5.250 -7.505 3.170 1.00 0.00 O ATOM 445 CB HIS A 27 -6.816 -6.372 5.102 1.00 0.00 C ATOM 446 CG HIS A 27 -7.165 -5.502 6.280 1.00 0.00 C ATOM 447 ND1 HIS A 27 -7.542 -6.032 7.504 1.00 0.00 N ATOM 448 CD2 HIS A 27 -7.205 -4.138 6.435 1.00 0.00 C ATOM 449 CE1 HIS A 27 -7.790 -5.002 8.335 1.00 0.00 C ATOM 450 NE2 HIS A 27 -7.600 -3.824 7.734 1.00 0.00 N ATOM 0 H HIS A 27 -4.153 -6.009 5.871 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.220 -8.191 6.081 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -6.450 -5.759 4.279 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.705 -6.890 4.743 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.966 -3.418 5.666 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.104 -5.114 9.362 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -7.718 -2.895 8.139 1.00 0.00 H new ATOM 458 N ARG A 28 -4.274 -8.992 4.466 1.00 0.00 N ATOM 459 CA ARG A 28 -3.560 -9.626 3.315 1.00 0.00 C ATOM 460 C ARG A 28 -4.579 -10.304 2.387 1.00 0.00 C ATOM 461 O ARG A 28 -4.457 -10.272 1.178 1.00 0.00 O ATOM 462 CB ARG A 28 -2.590 -10.682 3.854 1.00 0.00 C ATOM 463 CG ARG A 28 -1.486 -9.999 4.665 1.00 0.00 C ATOM 464 CD ARG A 28 -0.500 -11.050 5.195 1.00 0.00 C ATOM 465 NE ARG A 28 -1.166 -11.883 6.238 1.00 0.00 N ATOM 466 CZ ARG A 28 -0.519 -12.855 6.829 1.00 0.00 C ATOM 467 NH1 ARG A 28 0.724 -13.109 6.518 1.00 0.00 N ATOM 468 NH2 ARG A 28 -1.117 -13.571 7.737 1.00 0.00 N ATOM 0 H ARG A 28 -4.089 -9.419 5.374 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.013 -8.865 2.758 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.125 -11.397 4.479 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.154 -11.245 3.029 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.960 -9.276 4.042 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.923 -9.446 5.496 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.153 -11.682 4.378 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.379 -10.560 5.614 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.135 -11.693 6.493 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.197 -12.548 5.810 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.221 -13.868 6.983 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.086 -13.374 7.985 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.616 -14.329 8.200 1.00 0.00 H new ATOM 482 N TYR A 29 -5.576 -10.925 2.952 1.00 0.00 N ATOM 483 CA TYR A 29 -6.606 -11.620 2.120 1.00 0.00 C ATOM 484 C TYR A 29 -7.402 -10.588 1.312 1.00 0.00 C ATOM 485 O TYR A 29 -7.821 -10.841 0.199 1.00 0.00 O ATOM 486 CB TYR A 29 -7.558 -12.396 3.031 1.00 0.00 C ATOM 487 CG TYR A 29 -6.787 -13.465 3.772 1.00 0.00 C ATOM 488 CD1 TYR A 29 -6.247 -14.549 3.069 1.00 0.00 C ATOM 489 CD2 TYR A 29 -6.614 -13.376 5.161 1.00 0.00 C ATOM 490 CE1 TYR A 29 -5.533 -15.542 3.752 1.00 0.00 C ATOM 491 CE2 TYR A 29 -5.901 -14.370 5.843 1.00 0.00 C ATOM 492 CZ TYR A 29 -5.360 -15.453 5.138 1.00 0.00 C ATOM 493 OH TYR A 29 -4.657 -16.433 5.810 1.00 0.00 O ATOM 0 H TYR A 29 -5.725 -10.983 3.959 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.111 -12.309 1.436 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.033 -11.718 3.740 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -8.354 -12.850 2.441 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.381 -14.620 2.000 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.031 -12.541 5.705 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.116 -16.377 3.209 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.768 -14.302 6.913 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.629 -16.218 6.766 1.00 0.00 H new ATOM 503 N ASN A 30 -7.615 -9.427 1.869 1.00 0.00 N ATOM 504 CA ASN A 30 -8.378 -8.375 1.140 1.00 0.00 C ATOM 505 C ASN A 30 -7.504 -7.827 0.007 1.00 0.00 C ATOM 506 O ASN A 30 -7.383 -6.633 -0.188 1.00 0.00 O ATOM 507 CB ASN A 30 -8.740 -7.250 2.112 1.00 0.00 C ATOM 508 CG ASN A 30 -9.639 -6.228 1.412 1.00 0.00 C ATOM 509 OD1 ASN A 30 -9.742 -6.220 0.202 1.00 0.00 O ATOM 510 ND2 ASN A 30 -10.297 -5.356 2.128 1.00 0.00 N ATOM 0 H ASN A 30 -7.293 -9.161 2.800 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.294 -8.794 0.723 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.250 -7.660 2.983 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.834 -6.764 2.473 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.897 -4.669 1.671 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.211 -5.362 3.144 1.00 0.00 H new ATOM 517 N ALA A 31 -6.902 -8.706 -0.745 1.00 0.00 N ATOM 518 CA ALA A 31 -6.030 -8.274 -1.873 1.00 0.00 C ATOM 519 C ALA A 31 -6.899 -7.720 -3.006 1.00 0.00 C ATOM 520 O ALA A 31 -6.614 -7.901 -4.174 1.00 0.00 O ATOM 521 CB ALA A 31 -5.225 -9.478 -2.371 1.00 0.00 C ATOM 0 H ALA A 31 -6.978 -9.716 -0.625 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.346 -7.495 -1.537 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.584 -9.170 -3.197 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.610 -9.865 -1.559 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.908 -10.256 -2.712 1.00 0.00 H new ATOM 527 N TYR A 32 -7.955 -7.032 -2.662 1.00 0.00 N ATOM 528 CA TYR A 32 -8.856 -6.443 -3.698 1.00 0.00 C ATOM 529 C TYR A 32 -9.226 -5.019 -3.273 1.00 0.00 C ATOM 530 O TYR A 32 -10.314 -4.770 -2.797 1.00 0.00 O ATOM 531 CB TYR A 32 -10.127 -7.288 -3.821 1.00 0.00 C ATOM 532 CG TYR A 32 -9.753 -8.751 -3.878 1.00 0.00 C ATOM 533 CD1 TYR A 32 -9.297 -9.309 -5.078 1.00 0.00 C ATOM 534 CD2 TYR A 32 -9.866 -9.549 -2.733 1.00 0.00 C ATOM 535 CE1 TYR A 32 -8.954 -10.665 -5.133 1.00 0.00 C ATOM 536 CE2 TYR A 32 -9.521 -10.904 -2.788 1.00 0.00 C ATOM 537 CZ TYR A 32 -9.065 -11.463 -3.990 1.00 0.00 C ATOM 538 OH TYR A 32 -8.727 -12.799 -4.045 1.00 0.00 O ATOM 0 H TYR A 32 -8.235 -6.851 -1.698 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.349 -6.425 -4.663 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -10.784 -7.102 -2.972 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -10.678 -7.007 -4.718 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.210 -8.694 -5.961 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.219 -9.119 -1.808 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -8.603 -11.095 -6.059 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.606 -11.519 -1.904 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.861 -13.207 -3.164 1.00 0.00 H new ATOM 548 N PRO A 33 -8.311 -4.094 -3.438 1.00 0.00 N ATOM 549 CA PRO A 33 -8.520 -2.661 -3.067 1.00 0.00 C ATOM 550 C PRO A 33 -9.710 -2.038 -3.802 1.00 0.00 C ATOM 551 O PRO A 33 -10.007 -2.377 -4.931 1.00 0.00 O ATOM 552 CB PRO A 33 -7.200 -1.980 -3.476 1.00 0.00 C ATOM 553 CG PRO A 33 -6.200 -3.086 -3.508 1.00 0.00 C ATOM 554 CD PRO A 33 -6.968 -4.312 -3.990 1.00 0.00 C ATOM 0 HA PRO A 33 -8.754 -2.544 -2.009 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.288 -1.497 -4.449 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.914 -1.208 -2.762 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.375 -2.850 -4.180 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.769 -3.255 -2.521 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.984 -4.377 -5.078 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.525 -5.237 -3.622 1.00 0.00 H new ATOM 562 N SER A 34 -10.397 -1.134 -3.155 1.00 0.00 N ATOM 563 CA SER A 34 -11.586 -0.475 -3.784 1.00 0.00 C ATOM 564 C SER A 34 -11.423 1.043 -3.747 1.00 0.00 C ATOM 565 O SER A 34 -10.693 1.590 -2.942 1.00 0.00 O ATOM 566 CB SER A 34 -12.846 -0.873 -3.018 1.00 0.00 C ATOM 567 OG SER A 34 -13.102 -2.256 -3.232 1.00 0.00 O ATOM 0 H SER A 34 -10.185 -0.819 -2.208 1.00 0.00 H new ATOM 0 HA SER A 34 -11.669 -0.797 -4.822 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.718 -0.674 -1.954 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.695 -0.277 -3.354 1.00 0.00 H new ATOM 0 HG SER A 34 -13.909 -2.519 -2.742 1.00 0.00 H new ATOM 573 N GLU A 35 -12.107 1.724 -4.623 1.00 0.00 N ATOM 574 CA GLU A 35 -12.014 3.211 -4.671 1.00 0.00 C ATOM 575 C GLU A 35 -12.278 3.785 -3.275 1.00 0.00 C ATOM 576 O GLU A 35 -11.629 4.715 -2.838 1.00 0.00 O ATOM 577 CB GLU A 35 -13.077 3.738 -5.640 1.00 0.00 C ATOM 578 CG GLU A 35 -12.787 3.235 -7.058 1.00 0.00 C ATOM 579 CD GLU A 35 -11.468 3.828 -7.555 1.00 0.00 C ATOM 580 OE1 GLU A 35 -11.043 4.825 -6.994 1.00 0.00 O ATOM 581 OE2 GLU A 35 -10.907 3.277 -8.487 1.00 0.00 O ATOM 0 H GLU A 35 -12.733 1.311 -5.315 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.020 3.510 -5.004 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.066 3.407 -5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -13.086 4.828 -5.626 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.733 2.146 -7.064 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.599 3.517 -7.728 1.00 0.00 H new ATOM 588 N GLN A 36 -13.222 3.229 -2.574 1.00 0.00 N ATOM 589 CA GLN A 36 -13.532 3.726 -1.201 1.00 0.00 C ATOM 590 C GLN A 36 -12.338 3.444 -0.285 1.00 0.00 C ATOM 591 O GLN A 36 -11.962 4.252 0.543 1.00 0.00 O ATOM 592 CB GLN A 36 -14.759 2.984 -0.668 1.00 0.00 C ATOM 593 CG GLN A 36 -15.990 3.374 -1.486 1.00 0.00 C ATOM 594 CD GLN A 36 -17.198 2.555 -1.026 1.00 0.00 C ATOM 595 OE1 GLN A 36 -17.111 1.795 -0.082 1.00 0.00 O ATOM 596 NE2 GLN A 36 -18.332 2.677 -1.661 1.00 0.00 N ATOM 0 H GLN A 36 -13.797 2.448 -2.891 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.730 4.797 -1.230 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -14.598 1.907 -0.725 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.916 3.228 0.383 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -16.194 4.438 -1.368 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -15.804 3.201 -2.546 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -18.407 3.315 -2.454 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -19.143 2.135 -1.364 1.00 0.00 H new ATOM 605 N GLU A 37 -11.741 2.295 -0.432 1.00 0.00 N ATOM 606 CA GLU A 37 -10.567 1.937 0.418 1.00 0.00 C ATOM 607 C GLU A 37 -9.371 2.817 0.043 1.00 0.00 C ATOM 608 O GLU A 37 -8.626 3.273 0.888 1.00 0.00 O ATOM 609 CB GLU A 37 -10.205 0.466 0.174 1.00 0.00 C ATOM 610 CG GLU A 37 -9.040 0.066 1.082 1.00 0.00 C ATOM 611 CD GLU A 37 -8.717 -1.418 0.886 1.00 0.00 C ATOM 612 OE1 GLU A 37 -9.545 -2.118 0.327 1.00 0.00 O ATOM 613 OE2 GLU A 37 -7.647 -1.828 1.302 1.00 0.00 O ATOM 0 H GLU A 37 -12.016 1.583 -1.108 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.816 2.093 1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.068 -0.169 0.372 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.933 0.317 -0.871 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.163 0.672 0.853 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.296 0.258 2.124 1.00 0.00 H new ATOM 620 N LYS A 38 -9.181 3.052 -1.225 1.00 0.00 N ATOM 621 CA LYS A 38 -8.032 3.895 -1.673 1.00 0.00 C ATOM 622 C LYS A 38 -8.194 5.320 -1.131 1.00 0.00 C ATOM 623 O LYS A 38 -7.249 5.944 -0.687 1.00 0.00 O ATOM 624 CB LYS A 38 -8.006 3.935 -3.204 1.00 0.00 C ATOM 625 CG LYS A 38 -7.671 2.544 -3.748 1.00 0.00 C ATOM 626 CD LYS A 38 -7.685 2.568 -5.280 1.00 0.00 C ATOM 627 CE LYS A 38 -7.374 1.169 -5.818 1.00 0.00 C ATOM 628 NZ LYS A 38 -7.429 1.184 -7.307 1.00 0.00 N ATOM 0 H LYS A 38 -9.773 2.696 -1.975 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.101 3.470 -1.297 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.973 4.263 -3.586 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.266 4.658 -3.547 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.691 2.230 -3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.394 1.816 -3.380 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.659 2.899 -5.640 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.949 3.283 -5.649 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.387 0.851 -5.483 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.091 0.449 -5.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.708 0.244 -7.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.125 1.890 -7.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.492 1.429 -7.687 1.00 0.00 H new ATOM 642 N ALA A 39 -9.389 5.840 -1.166 1.00 0.00 N ATOM 643 CA ALA A 39 -9.622 7.223 -0.656 1.00 0.00 C ATOM 644 C ALA A 39 -9.345 7.262 0.849 1.00 0.00 C ATOM 645 O ALA A 39 -8.847 8.236 1.380 1.00 0.00 O ATOM 646 CB ALA A 39 -11.079 7.618 -0.910 1.00 0.00 C ATOM 0 H ALA A 39 -10.218 5.367 -1.527 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.958 7.918 -1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -11.252 8.628 -0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.284 7.585 -1.980 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.740 6.923 -0.393 1.00 0.00 H new ATOM 652 N LEU A 40 -9.678 6.211 1.542 1.00 0.00 N ATOM 653 CA LEU A 40 -9.448 6.187 3.016 1.00 0.00 C ATOM 654 C LEU A 40 -7.945 6.299 3.304 1.00 0.00 C ATOM 655 O LEU A 40 -7.508 7.079 4.128 1.00 0.00 O ATOM 656 CB LEU A 40 -9.962 4.853 3.576 1.00 0.00 C ATOM 657 CG LEU A 40 -9.884 4.857 5.115 1.00 0.00 C ATOM 658 CD1 LEU A 40 -11.002 5.733 5.700 1.00 0.00 C ATOM 659 CD2 LEU A 40 -10.026 3.424 5.643 1.00 0.00 C ATOM 0 H LEU A 40 -10.099 5.367 1.154 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.973 7.021 3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.991 4.689 3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.369 4.030 3.177 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.919 5.263 5.418 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.937 5.728 6.788 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.893 6.754 5.335 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.971 5.339 5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.970 3.430 6.732 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.987 3.015 5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.222 2.807 5.242 1.00 0.00 H new ATOM 671 N LEU A 41 -7.159 5.510 2.632 1.00 0.00 N ATOM 672 CA LEU A 41 -5.681 5.538 2.854 1.00 0.00 C ATOM 673 C LEU A 41 -5.095 6.860 2.353 1.00 0.00 C ATOM 674 O LEU A 41 -4.219 7.439 2.964 1.00 0.00 O ATOM 675 CB LEU A 41 -5.042 4.374 2.095 1.00 0.00 C ATOM 676 CG LEU A 41 -5.437 3.042 2.752 1.00 0.00 C ATOM 677 CD1 LEU A 41 -5.055 1.884 1.824 1.00 0.00 C ATOM 678 CD2 LEU A 41 -4.721 2.873 4.108 1.00 0.00 C ATOM 0 H LEU A 41 -7.475 4.840 1.931 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.475 5.446 3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.365 4.386 1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.957 4.481 2.093 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.514 3.040 2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.334 0.938 2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.579 1.991 0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.979 1.898 1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.013 1.924 4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.642 2.884 3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.001 3.691 4.772 1.00 0.00 H new ATOM 690 N SER A 42 -5.569 7.334 1.236 1.00 0.00 N ATOM 691 CA SER A 42 -5.040 8.615 0.681 1.00 0.00 C ATOM 692 C SER A 42 -5.320 9.758 1.661 1.00 0.00 C ATOM 693 O SER A 42 -4.493 10.622 1.881 1.00 0.00 O ATOM 694 CB SER A 42 -5.721 8.908 -0.656 1.00 0.00 C ATOM 695 OG SER A 42 -5.485 10.263 -1.017 1.00 0.00 O ATOM 0 H SER A 42 -6.301 6.891 0.681 1.00 0.00 H new ATOM 0 HA SER A 42 -3.964 8.527 0.531 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.335 8.242 -1.427 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.792 8.721 -0.580 1.00 0.00 H new ATOM 0 HG SER A 42 -4.649 10.326 -1.524 1.00 0.00 H new ATOM 701 N GLN A 43 -6.484 9.772 2.246 1.00 0.00 N ATOM 702 CA GLN A 43 -6.827 10.858 3.207 1.00 0.00 C ATOM 703 C GLN A 43 -5.894 10.779 4.420 1.00 0.00 C ATOM 704 O GLN A 43 -5.431 11.780 4.931 1.00 0.00 O ATOM 705 CB GLN A 43 -8.275 10.674 3.676 1.00 0.00 C ATOM 706 CG GLN A 43 -8.697 11.862 4.547 1.00 0.00 C ATOM 707 CD GLN A 43 -8.734 13.129 3.694 1.00 0.00 C ATOM 708 OE1 GLN A 43 -9.458 13.202 2.720 1.00 0.00 O ATOM 709 NE2 GLN A 43 -7.970 14.138 4.015 1.00 0.00 N ATOM 0 H GLN A 43 -7.216 9.076 2.100 1.00 0.00 H new ATOM 0 HA GLN A 43 -6.714 11.827 2.720 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -8.937 10.590 2.814 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -8.368 9.747 4.241 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -9.678 11.676 4.984 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -7.998 11.987 5.374 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -7.362 14.078 4.832 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -7.981 14.986 3.449 1.00 0.00 H new ATOM 718 N GLN A 44 -5.622 9.594 4.886 1.00 0.00 N ATOM 719 CA GLN A 44 -4.724 9.440 6.068 1.00 0.00 C ATOM 720 C GLN A 44 -3.306 9.902 5.711 1.00 0.00 C ATOM 721 O GLN A 44 -2.647 10.577 6.478 1.00 0.00 O ATOM 722 CB GLN A 44 -4.686 7.964 6.478 1.00 0.00 C ATOM 723 CG GLN A 44 -6.041 7.558 7.062 1.00 0.00 C ATOM 724 CD GLN A 44 -6.030 6.069 7.420 1.00 0.00 C ATOM 725 OE1 GLN A 44 -5.066 5.306 6.980 1.00 0.00 O flip ATOM 726 NE2 GLN A 44 -6.909 5.594 8.111 1.00 0.00 N flip ATOM 0 H GLN A 44 -5.983 8.721 4.500 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.102 10.047 6.891 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.450 7.342 5.614 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.898 7.801 7.213 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.257 8.153 7.950 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.833 7.762 6.341 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.663 6.188 8.456 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.893 4.602 8.346 1.00 0.00 H new ATOM 735 N THR A 45 -2.830 9.537 4.550 1.00 0.00 N ATOM 736 CA THR A 45 -1.456 9.937 4.129 1.00 0.00 C ATOM 737 C THR A 45 -1.527 11.160 3.219 1.00 0.00 C ATOM 738 O THR A 45 -2.589 11.660 2.901 1.00 0.00 O ATOM 739 CB THR A 45 -0.796 8.772 3.385 1.00 0.00 C ATOM 740 OG1 THR A 45 -1.548 8.463 2.220 1.00 0.00 O ATOM 741 CG2 THR A 45 -0.742 7.549 4.301 1.00 0.00 C ATOM 0 H THR A 45 -3.340 8.974 3.869 1.00 0.00 H new ATOM 0 HA THR A 45 -0.865 10.187 5.010 1.00 0.00 H new ATOM 0 HB THR A 45 0.216 9.053 3.095 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.369 7.992 2.476 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.273 6.719 3.773 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.161 7.787 5.192 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.754 7.268 4.592 1.00 0.00 H new ATOM 749 N HIS A 46 -0.392 11.646 2.806 1.00 0.00 N ATOM 750 CA HIS A 46 -0.352 12.845 1.913 1.00 0.00 C ATOM 751 C HIS A 46 -0.151 12.397 0.463 1.00 0.00 C ATOM 752 O HIS A 46 0.530 13.043 -0.310 1.00 0.00 O ATOM 753 CB HIS A 46 0.805 13.757 2.344 1.00 0.00 C ATOM 754 CG HIS A 46 2.083 12.964 2.461 1.00 0.00 C ATOM 755 ND1 HIS A 46 2.437 12.298 3.627 1.00 0.00 N ATOM 756 CD2 HIS A 46 3.110 12.739 1.577 1.00 0.00 C ATOM 757 CE1 HIS A 46 3.630 11.711 3.413 1.00 0.00 C ATOM 758 NE2 HIS A 46 4.085 11.949 2.180 1.00 0.00 N ATOM 0 H HIS A 46 0.521 11.263 3.049 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.291 13.393 1.989 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.933 14.560 1.619 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.571 14.225 3.300 1.00 0.00 H new ATOM 0 HD1 HIS A 46 1.893 12.260 4.489 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.154 13.118 0.567 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.155 11.120 4.149 1.00 0.00 H new ATOM 766 N LEU A 47 -0.745 11.289 0.092 1.00 0.00 N ATOM 767 CA LEU A 47 -0.597 10.763 -1.308 1.00 0.00 C ATOM 768 C LEU A 47 -1.950 10.787 -2.022 1.00 0.00 C ATOM 769 O LEU A 47 -2.995 10.648 -1.419 1.00 0.00 O ATOM 770 CB LEU A 47 -0.074 9.329 -1.258 1.00 0.00 C ATOM 771 CG LEU A 47 1.261 9.297 -0.506 1.00 0.00 C ATOM 772 CD1 LEU A 47 1.757 7.851 -0.407 1.00 0.00 C ATOM 773 CD2 LEU A 47 2.305 10.153 -1.249 1.00 0.00 C ATOM 0 H LEU A 47 -1.332 10.719 0.702 1.00 0.00 H new ATOM 0 HA LEU A 47 0.106 11.392 -1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.799 8.684 -0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.057 8.943 -2.269 1.00 0.00 H new ATOM 0 HG LEU A 47 1.117 9.702 0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.707 7.828 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.023 7.251 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.895 7.444 -1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.251 10.125 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.450 9.758 -2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.953 11.183 -1.311 1.00 0.00 H new ATOM 785 N SER A 48 -1.918 10.973 -3.312 1.00 0.00 N ATOM 786 CA SER A 48 -3.178 11.025 -4.106 1.00 0.00 C ATOM 787 C SER A 48 -3.687 9.610 -4.399 1.00 0.00 C ATOM 788 O SER A 48 -3.039 8.623 -4.111 1.00 0.00 O ATOM 789 CB SER A 48 -2.907 11.744 -5.428 1.00 0.00 C ATOM 790 OG SER A 48 -4.074 11.702 -6.239 1.00 0.00 O ATOM 0 H SER A 48 -1.064 11.093 -3.856 1.00 0.00 H new ATOM 0 HA SER A 48 -3.935 11.560 -3.533 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.620 12.778 -5.239 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.073 11.271 -5.947 1.00 0.00 H new ATOM 0 HG SER A 48 -3.901 12.164 -7.086 1.00 0.00 H new ATOM 796 N THR A 49 -4.853 9.519 -4.974 1.00 0.00 N ATOM 797 CA THR A 49 -5.438 8.187 -5.306 1.00 0.00 C ATOM 798 C THR A 49 -4.544 7.463 -6.313 1.00 0.00 C ATOM 799 O THR A 49 -4.282 6.281 -6.198 1.00 0.00 O ATOM 800 CB THR A 49 -6.825 8.390 -5.918 1.00 0.00 C ATOM 801 OG1 THR A 49 -7.582 9.269 -5.098 1.00 0.00 O ATOM 802 CG2 THR A 49 -7.538 7.042 -6.022 1.00 0.00 C ATOM 0 H THR A 49 -5.433 10.318 -5.231 1.00 0.00 H new ATOM 0 HA THR A 49 -5.514 7.588 -4.398 1.00 0.00 H new ATOM 0 HB THR A 49 -6.724 8.823 -6.913 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.470 9.400 -5.491 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.527 7.186 -6.458 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.957 6.371 -6.654 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.640 6.607 -5.028 1.00 0.00 H new ATOM 810 N LEU A 50 -4.086 8.162 -7.311 1.00 0.00 N ATOM 811 CA LEU A 50 -3.215 7.521 -8.336 1.00 0.00 C ATOM 812 C LEU A 50 -1.931 7.012 -7.677 1.00 0.00 C ATOM 813 O LEU A 50 -1.452 5.931 -7.964 1.00 0.00 O ATOM 814 CB LEU A 50 -2.857 8.556 -9.415 1.00 0.00 C ATOM 815 CG LEU A 50 -1.891 7.940 -10.444 1.00 0.00 C ATOM 816 CD1 LEU A 50 -2.510 6.672 -11.048 1.00 0.00 C ATOM 817 CD2 LEU A 50 -1.615 8.960 -11.558 1.00 0.00 C ATOM 0 H LEU A 50 -4.277 9.152 -7.463 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.745 6.683 -8.789 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.763 8.898 -9.915 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.398 9.430 -8.953 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.956 7.678 -9.949 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.821 6.242 -11.775 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.701 5.948 -10.256 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.448 6.925 -11.542 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.931 8.526 -12.288 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.551 9.224 -12.050 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.166 9.856 -11.128 1.00 0.00 H new ATOM 829 N GLN A 51 -1.365 7.793 -6.805 1.00 0.00 N ATOM 830 CA GLN A 51 -0.104 7.374 -6.127 1.00 0.00 C ATOM 831 C GLN A 51 -0.370 6.135 -5.265 1.00 0.00 C ATOM 832 O GLN A 51 0.388 5.184 -5.266 1.00 0.00 O ATOM 833 CB GLN A 51 0.377 8.514 -5.226 1.00 0.00 C ATOM 834 CG GLN A 51 0.821 9.706 -6.077 1.00 0.00 C ATOM 835 CD GLN A 51 2.067 9.327 -6.878 1.00 0.00 C ATOM 836 OE1 GLN A 51 1.973 8.955 -8.032 1.00 0.00 O ATOM 837 NE2 GLN A 51 3.241 9.401 -6.312 1.00 0.00 N ATOM 0 H GLN A 51 -1.720 8.708 -6.529 1.00 0.00 H new ATOM 0 HA GLN A 51 0.653 7.141 -6.876 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.424 8.817 -4.551 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.205 8.172 -4.605 1.00 0.00 H new ATOM 0 HG2 GLN A 51 0.018 10.003 -6.752 1.00 0.00 H new ATOM 0 HG3 GLN A 51 1.034 10.563 -5.438 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.322 9.713 -5.344 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.077 9.147 -6.838 1.00 0.00 H new ATOM 846 N VAL A 52 -1.442 6.147 -4.529 1.00 0.00 N ATOM 847 CA VAL A 52 -1.774 4.980 -3.658 1.00 0.00 C ATOM 848 C VAL A 52 -2.098 3.759 -4.526 1.00 0.00 C ATOM 849 O VAL A 52 -1.662 2.656 -4.256 1.00 0.00 O ATOM 850 CB VAL A 52 -2.988 5.331 -2.792 1.00 0.00 C ATOM 851 CG1 VAL A 52 -3.450 4.094 -2.019 1.00 0.00 C ATOM 852 CG2 VAL A 52 -2.602 6.436 -1.806 1.00 0.00 C ATOM 0 H VAL A 52 -2.109 6.918 -4.490 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.921 4.747 -3.021 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.801 5.676 -3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.313 4.350 -1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.725 3.307 -2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.641 3.742 -1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.463 6.689 -1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.788 6.088 -1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.279 7.319 -2.357 1.00 0.00 H new ATOM 862 N CYS A 53 -2.862 3.947 -5.564 1.00 0.00 N ATOM 863 CA CYS A 53 -3.221 2.799 -6.451 1.00 0.00 C ATOM 864 C CYS A 53 -1.948 2.203 -7.058 1.00 0.00 C ATOM 865 O CYS A 53 -1.782 1.002 -7.139 1.00 0.00 O ATOM 866 CB CYS A 53 -4.129 3.299 -7.578 1.00 0.00 C ATOM 867 SG CYS A 53 -4.983 1.894 -8.334 1.00 0.00 S ATOM 0 H CYS A 53 -3.256 4.847 -5.840 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.738 2.037 -5.869 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.855 4.011 -7.186 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -3.539 3.826 -8.328 1.00 0.00 H new ATOM 0 HG CYS A 53 -4.222 0.841 -8.276 1.00 0.00 H new ATOM 873 N ASN A 54 -1.050 3.042 -7.485 1.00 0.00 N ATOM 874 CA ASN A 54 0.220 2.546 -8.092 1.00 0.00 C ATOM 875 C ASN A 54 1.031 1.795 -7.032 1.00 0.00 C ATOM 876 O ASN A 54 1.631 0.772 -7.296 1.00 0.00 O ATOM 877 CB ASN A 54 1.035 3.740 -8.594 1.00 0.00 C ATOM 878 CG ASN A 54 0.345 4.367 -9.806 1.00 0.00 C ATOM 879 OD1 ASN A 54 0.375 5.570 -9.981 1.00 0.00 O ATOM 880 ND2 ASN A 54 -0.272 3.600 -10.661 1.00 0.00 N ATOM 0 H ASN A 54 -1.139 4.057 -7.441 1.00 0.00 H new ATOM 0 HA ASN A 54 -0.007 1.876 -8.922 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.139 4.480 -7.800 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.041 3.418 -8.863 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.729 4.009 -11.476 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.298 2.591 -10.515 1.00 0.00 H new ATOM 887 N TRP A 55 1.052 2.307 -5.835 1.00 0.00 N ATOM 888 CA TRP A 55 1.821 1.640 -4.743 1.00 0.00 C ATOM 889 C TRP A 55 1.236 0.250 -4.479 1.00 0.00 C ATOM 890 O TRP A 55 1.947 -0.705 -4.252 1.00 0.00 O ATOM 891 CB TRP A 55 1.720 2.478 -3.466 1.00 0.00 C ATOM 892 CG TRP A 55 2.373 1.745 -2.335 1.00 0.00 C ATOM 893 CD1 TRP A 55 3.664 1.883 -1.960 1.00 0.00 C ATOM 894 CD2 TRP A 55 1.791 0.752 -1.438 1.00 0.00 C ATOM 895 NE1 TRP A 55 3.911 1.051 -0.885 1.00 0.00 N ATOM 896 CE2 TRP A 55 2.788 0.332 -0.526 1.00 0.00 C ATOM 897 CE3 TRP A 55 0.506 0.190 -1.322 1.00 0.00 C ATOM 898 CZ2 TRP A 55 2.524 -0.619 0.460 1.00 0.00 C ATOM 899 CZ3 TRP A 55 0.238 -0.769 -0.334 1.00 0.00 C ATOM 900 CH2 TRP A 55 1.242 -1.170 0.557 1.00 0.00 C ATOM 0 H TRP A 55 0.568 3.163 -5.562 1.00 0.00 H new ATOM 0 HA TRP A 55 2.865 1.546 -5.041 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.202 3.445 -3.613 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.674 2.676 -3.230 1.00 0.00 H new ATOM 0 HD1 TRP A 55 4.386 2.538 -2.425 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.813 0.977 -0.414 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.278 0.499 -1.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.302 -0.927 1.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.749 -1.201 -0.260 1.00 0.00 H new ATOM 0 HH2 TRP A 55 1.026 -1.905 1.319 1.00 0.00 H new ATOM 911 N PHE A 56 -0.060 0.136 -4.497 1.00 0.00 N ATOM 912 CA PHE A 56 -0.699 -1.188 -4.237 1.00 0.00 C ATOM 913 C PHE A 56 -0.265 -2.201 -5.301 1.00 0.00 C ATOM 914 O PHE A 56 0.076 -3.324 -5.000 1.00 0.00 O ATOM 915 CB PHE A 56 -2.234 -1.024 -4.285 1.00 0.00 C ATOM 916 CG PHE A 56 -2.778 -0.802 -2.897 1.00 0.00 C ATOM 917 CD1 PHE A 56 -2.788 -1.863 -1.988 1.00 0.00 C ATOM 918 CD2 PHE A 56 -3.263 0.453 -2.517 1.00 0.00 C ATOM 919 CE1 PHE A 56 -3.282 -1.672 -0.695 1.00 0.00 C ATOM 920 CE2 PHE A 56 -3.758 0.647 -1.223 1.00 0.00 C ATOM 921 CZ PHE A 56 -3.767 -0.418 -0.313 1.00 0.00 C ATOM 0 H PHE A 56 -0.708 0.902 -4.680 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.391 -1.550 -3.256 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.497 -0.182 -4.925 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.688 -1.912 -4.724 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.414 -2.832 -2.285 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.256 1.272 -3.221 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.289 -2.492 0.008 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.132 1.616 -0.926 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.150 -0.270 0.686 1.00 0.00 H new ATOM 931 N ILE A 57 -0.305 -1.819 -6.540 1.00 0.00 N ATOM 932 CA ILE A 57 0.069 -2.775 -7.624 1.00 0.00 C ATOM 933 C ILE A 57 1.528 -3.221 -7.467 1.00 0.00 C ATOM 934 O ILE A 57 1.843 -4.395 -7.524 1.00 0.00 O ATOM 935 CB ILE A 57 -0.093 -2.068 -8.972 1.00 0.00 C ATOM 936 CG1 ILE A 57 -1.570 -1.738 -9.204 1.00 0.00 C ATOM 937 CG2 ILE A 57 0.407 -2.979 -10.095 1.00 0.00 C ATOM 938 CD1 ILE A 57 -1.709 -0.794 -10.401 1.00 0.00 C ATOM 0 H ILE A 57 -0.579 -0.889 -6.855 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.575 -3.653 -7.568 1.00 0.00 H new ATOM 0 HB ILE A 57 0.489 -1.147 -8.967 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.133 -2.654 -9.384 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.993 -1.274 -8.313 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.290 -2.473 -11.053 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.460 -3.212 -9.933 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.172 -3.902 -10.100 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.762 -0.563 -10.562 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.161 0.127 -10.203 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.303 -1.274 -11.292 1.00 0.00 H new ATOM 950 N ASN A 58 2.419 -2.292 -7.285 1.00 0.00 N ATOM 951 CA ASN A 58 3.861 -2.651 -7.140 1.00 0.00 C ATOM 952 C ASN A 58 4.132 -3.247 -5.753 1.00 0.00 C ATOM 953 O ASN A 58 4.841 -4.224 -5.608 1.00 0.00 O ATOM 954 CB ASN A 58 4.703 -1.387 -7.313 1.00 0.00 C ATOM 955 CG ASN A 58 6.186 -1.729 -7.151 1.00 0.00 C ATOM 956 OD1 ASN A 58 6.610 -2.817 -7.490 1.00 0.00 O ATOM 957 ND2 ASN A 58 6.997 -0.841 -6.644 1.00 0.00 N ATOM 0 H ASN A 58 2.214 -1.294 -7.230 1.00 0.00 H new ATOM 0 HA ASN A 58 4.121 -3.391 -7.897 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.526 -0.952 -8.297 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.410 -0.639 -6.576 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.987 -1.060 -6.532 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.641 0.072 -6.360 1.00 0.00 H new ATOM 964 N ALA A 59 3.587 -2.648 -4.732 1.00 0.00 N ATOM 965 CA ALA A 59 3.822 -3.148 -3.344 1.00 0.00 C ATOM 966 C ALA A 59 3.145 -4.502 -3.123 1.00 0.00 C ATOM 967 O ALA A 59 3.757 -5.440 -2.664 1.00 0.00 O ATOM 968 CB ALA A 59 3.236 -2.147 -2.346 1.00 0.00 C ATOM 0 H ALA A 59 2.984 -1.828 -4.797 1.00 0.00 H new ATOM 0 HA ALA A 59 4.896 -3.261 -3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.404 -2.505 -1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.721 -1.179 -2.474 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.165 -2.042 -2.522 1.00 0.00 H new ATOM 974 N ARG A 60 1.881 -4.603 -3.429 1.00 0.00 N ATOM 975 CA ARG A 60 1.161 -5.896 -3.210 1.00 0.00 C ATOM 976 C ARG A 60 1.807 -7.001 -4.047 1.00 0.00 C ATOM 977 O ARG A 60 2.038 -8.096 -3.578 1.00 0.00 O ATOM 978 CB ARG A 60 -0.302 -5.738 -3.637 1.00 0.00 C ATOM 979 CG ARG A 60 -1.076 -7.015 -3.312 1.00 0.00 C ATOM 980 CD ARG A 60 -2.567 -6.806 -3.594 1.00 0.00 C ATOM 981 NE ARG A 60 -2.779 -6.588 -5.057 1.00 0.00 N ATOM 982 CZ ARG A 60 -2.965 -7.601 -5.866 1.00 0.00 C ATOM 983 NH1 ARG A 60 -2.941 -8.825 -5.412 1.00 0.00 N ATOM 984 NH2 ARG A 60 -3.173 -7.383 -7.135 1.00 0.00 N ATOM 0 H ARG A 60 1.314 -3.851 -3.820 1.00 0.00 H new ATOM 0 HA ARG A 60 1.217 -6.162 -2.154 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.751 -4.889 -3.122 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.358 -5.529 -4.705 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.696 -7.843 -3.910 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.929 -7.284 -2.266 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.135 -7.674 -3.260 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.936 -5.948 -3.032 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.779 -5.639 -5.430 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.776 -8.998 -4.420 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.087 -9.608 -6.049 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.190 -6.428 -7.492 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.319 -8.168 -7.770 1.00 0.00 H new ATOM 998 N ARG A 61 2.101 -6.719 -5.283 1.00 0.00 N ATOM 999 CA ARG A 61 2.732 -7.746 -6.166 1.00 0.00 C ATOM 1000 C ARG A 61 4.138 -8.084 -5.656 1.00 0.00 C ATOM 1001 O ARG A 61 4.598 -9.205 -5.753 1.00 0.00 O ATOM 1002 CB ARG A 61 2.824 -7.204 -7.592 1.00 0.00 C ATOM 1003 CG ARG A 61 3.382 -8.290 -8.518 1.00 0.00 C ATOM 1004 CD ARG A 61 3.448 -7.763 -9.953 1.00 0.00 C ATOM 1005 NE ARG A 61 2.067 -7.487 -10.451 1.00 0.00 N ATOM 1006 CZ ARG A 61 1.272 -8.470 -10.786 1.00 0.00 C ATOM 1007 NH1 ARG A 61 1.665 -9.712 -10.672 1.00 0.00 N ATOM 1008 NH2 ARG A 61 0.075 -8.207 -11.233 1.00 0.00 N ATOM 0 H ARG A 61 1.932 -5.816 -5.726 1.00 0.00 H new ATOM 0 HA ARG A 61 2.122 -8.649 -6.156 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.839 -6.889 -7.936 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.467 -6.324 -7.617 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.376 -8.590 -8.185 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.750 -9.177 -8.475 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.047 -6.853 -9.989 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.938 -8.493 -10.597 1.00 0.00 H new ATOM 0 HE ARG A 61 1.741 -6.524 -10.530 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.599 -9.921 -10.319 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.038 -10.472 -10.936 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.236 -7.239 -11.320 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.550 -8.969 -11.496 1.00 0.00 H new ATOM 1022 N ARG A 62 4.835 -7.111 -5.140 1.00 0.00 N ATOM 1023 CA ARG A 62 6.221 -7.355 -4.639 1.00 0.00 C ATOM 1024 C ARG A 62 6.182 -7.827 -3.180 1.00 0.00 C ATOM 1025 O ARG A 62 7.164 -8.303 -2.643 1.00 0.00 O ATOM 1026 CB ARG A 62 7.015 -6.050 -4.731 1.00 0.00 C ATOM 1027 CG ARG A 62 8.508 -6.340 -4.555 1.00 0.00 C ATOM 1028 CD ARG A 62 9.318 -5.051 -4.753 1.00 0.00 C ATOM 1029 NE ARG A 62 9.010 -4.089 -3.655 1.00 0.00 N ATOM 1030 CZ ARG A 62 9.510 -2.879 -3.673 1.00 0.00 C ATOM 1031 NH1 ARG A 62 10.275 -2.494 -4.660 1.00 0.00 N ATOM 1032 NH2 ARG A 62 9.243 -2.054 -2.699 1.00 0.00 N ATOM 0 H ARG A 62 4.504 -6.151 -5.042 1.00 0.00 H new ATOM 0 HA ARG A 62 6.695 -8.127 -5.245 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.839 -5.573 -5.695 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.677 -5.353 -3.964 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.693 -6.747 -3.561 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.828 -7.095 -5.273 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.384 -5.278 -4.762 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.079 -4.605 -5.718 1.00 0.00 H new ATOM 0 HE ARG A 62 8.406 -4.376 -2.885 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.486 -3.138 -5.423 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.661 -1.550 -4.668 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.647 -2.352 -1.927 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.630 -1.111 -2.709 1.00 0.00 H new ATOM 1046 N LEU A 63 5.057 -7.693 -2.532 1.00 0.00 N ATOM 1047 CA LEU A 63 4.949 -8.125 -1.101 1.00 0.00 C ATOM 1048 C LEU A 63 4.305 -9.509 -1.012 1.00 0.00 C ATOM 1049 O LEU A 63 4.611 -10.288 -0.135 1.00 0.00 O ATOM 1050 CB LEU A 63 4.073 -7.118 -0.348 1.00 0.00 C ATOM 1051 CG LEU A 63 4.876 -5.840 -0.068 1.00 0.00 C ATOM 1052 CD1 LEU A 63 3.919 -4.705 0.320 1.00 0.00 C ATOM 1053 CD2 LEU A 63 5.883 -6.076 1.079 1.00 0.00 C ATOM 0 H LEU A 63 4.203 -7.302 -2.930 1.00 0.00 H new ATOM 0 HA LEU A 63 5.946 -8.169 -0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.187 -6.880 -0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.726 -7.553 0.589 1.00 0.00 H new ATOM 0 HG LEU A 63 5.425 -5.568 -0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.491 -3.799 0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.221 -4.522 -0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.364 -4.987 1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.444 -5.160 1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.345 -6.361 1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.572 -6.873 0.800 1.00 0.00 H new ATOM 1065 N LEU A 64 3.416 -9.819 -1.904 1.00 0.00 N ATOM 1066 CA LEU A 64 2.746 -11.152 -1.852 1.00 0.00 C ATOM 1067 C LEU A 64 3.785 -12.280 -1.931 1.00 0.00 C ATOM 1068 O LEU A 64 3.739 -13.215 -1.158 1.00 0.00 O ATOM 1069 CB LEU A 64 1.739 -11.269 -3.024 1.00 0.00 C ATOM 1070 CG LEU A 64 0.307 -11.409 -2.497 1.00 0.00 C ATOM 1071 CD1 LEU A 64 -0.139 -10.095 -1.837 1.00 0.00 C ATOM 1072 CD2 LEU A 64 -0.627 -11.750 -3.664 1.00 0.00 C ATOM 0 H LEU A 64 3.120 -9.212 -2.669 1.00 0.00 H new ATOM 0 HA LEU A 64 2.212 -11.245 -0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.812 -10.388 -3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.990 -12.132 -3.641 1.00 0.00 H new ATOM 0 HG LEU A 64 0.268 -12.205 -1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.158 -10.202 -1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.528 -9.860 -1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.104 -9.289 -2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.648 -11.851 -3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.587 -10.954 -4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.312 -12.688 -4.120 1.00 0.00 H new ATOM 1084 N PRO A 65 4.695 -12.215 -2.865 1.00 0.00 N ATOM 1085 CA PRO A 65 5.719 -13.284 -3.033 1.00 0.00 C ATOM 1086 C PRO A 65 6.499 -13.537 -1.738 1.00 0.00 C ATOM 1087 O PRO A 65 6.610 -14.652 -1.263 1.00 0.00 O ATOM 1088 CB PRO A 65 6.660 -12.732 -4.123 1.00 0.00 C ATOM 1089 CG PRO A 65 5.882 -11.669 -4.839 1.00 0.00 C ATOM 1090 CD PRO A 65 4.855 -11.129 -3.843 1.00 0.00 C ATOM 0 HA PRO A 65 5.266 -14.240 -3.296 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.569 -12.321 -3.683 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.967 -13.521 -4.810 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.542 -10.873 -5.184 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.388 -12.078 -5.720 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.205 -10.213 -3.367 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.911 -10.892 -4.333 1.00 0.00 H new ATOM 1098 N ASP A 66 7.042 -12.496 -1.178 1.00 0.00 N ATOM 1099 CA ASP A 66 7.833 -12.632 0.079 1.00 0.00 C ATOM 1100 C ASP A 66 6.895 -12.817 1.276 1.00 0.00 C ATOM 1101 O ASP A 66 7.135 -13.619 2.156 1.00 0.00 O ATOM 1102 CB ASP A 66 8.666 -11.366 0.276 1.00 0.00 C ATOM 1103 CG ASP A 66 9.458 -11.466 1.582 1.00 0.00 C ATOM 1104 OD1 ASP A 66 9.489 -12.543 2.151 1.00 0.00 O ATOM 1105 OD2 ASP A 66 10.021 -10.462 1.986 1.00 0.00 O ATOM 0 H ASP A 66 6.972 -11.545 -1.540 1.00 0.00 H new ATOM 0 HA ASP A 66 8.484 -13.503 0.006 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.347 -11.233 -0.564 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.016 -10.492 0.300 1.00 0.00 H new ATOM 1110 N MET A 67 5.832 -12.063 1.317 1.00 0.00 N ATOM 1111 CA MET A 67 4.876 -12.174 2.461 1.00 0.00 C ATOM 1112 C MET A 67 4.279 -13.582 2.509 1.00 0.00 C ATOM 1113 O MET A 67 4.205 -14.204 3.551 1.00 0.00 O ATOM 1114 CB MET A 67 3.748 -11.157 2.268 1.00 0.00 C ATOM 1115 CG MET A 67 2.792 -11.219 3.461 1.00 0.00 C ATOM 1116 SD MET A 67 1.541 -9.920 3.295 1.00 0.00 S ATOM 1117 CE MET A 67 2.602 -8.498 3.663 1.00 0.00 C ATOM 0 H MET A 67 5.581 -11.373 0.609 1.00 0.00 H new ATOM 0 HA MET A 67 5.405 -11.977 3.394 1.00 0.00 H new ATOM 0 HB2 MET A 67 4.162 -10.153 2.173 1.00 0.00 H new ATOM 0 HB3 MET A 67 3.208 -11.368 1.345 1.00 0.00 H new ATOM 0 HG2 MET A 67 2.313 -12.197 3.507 1.00 0.00 H new ATOM 0 HG3 MET A 67 3.345 -11.090 4.392 1.00 0.00 H new ATOM 0 HE1 MET A 67 2.062 -7.796 4.298 1.00 0.00 H new ATOM 0 HE2 MET A 67 3.500 -8.838 4.180 1.00 0.00 H new ATOM 0 HE3 MET A 67 2.884 -8.004 2.733 1.00 0.00 H new ATOM 1127 N LEU A 68 3.844 -14.080 1.390 1.00 0.00 N ATOM 1128 CA LEU A 68 3.238 -15.443 1.362 1.00 0.00 C ATOM 1129 C LEU A 68 4.289 -16.493 1.732 1.00 0.00 C ATOM 1130 O LEU A 68 4.030 -17.418 2.486 1.00 0.00 O ATOM 1131 CB LEU A 68 2.706 -15.725 -0.045 1.00 0.00 C ATOM 1132 CG LEU A 68 1.478 -14.843 -0.324 1.00 0.00 C ATOM 1133 CD1 LEU A 68 1.134 -14.900 -1.819 1.00 0.00 C ATOM 1134 CD2 LEU A 68 0.267 -15.326 0.505 1.00 0.00 C ATOM 0 H LEU A 68 3.880 -13.604 0.489 1.00 0.00 H new ATOM 0 HA LEU A 68 2.422 -15.491 2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.483 -15.527 -0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.438 -16.777 -0.138 1.00 0.00 H new ATOM 0 HG LEU A 68 1.710 -13.817 -0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.263 -14.275 -2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.981 -14.537 -2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.913 -15.929 -2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.594 -14.691 0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.031 -16.356 0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.508 -15.272 1.567 1.00 0.00 H new ATOM 1146 N ARG A 69 5.473 -16.352 1.210 1.00 0.00 N ATOM 1147 CA ARG A 69 6.554 -17.330 1.522 1.00 0.00 C ATOM 1148 C ARG A 69 6.892 -17.242 3.013 1.00 0.00 C ATOM 1149 O ARG A 69 7.098 -18.236 3.681 1.00 0.00 O ATOM 1150 CB ARG A 69 7.801 -16.992 0.697 1.00 0.00 C ATOM 1151 CG ARG A 69 8.885 -18.046 0.946 1.00 0.00 C ATOM 1152 CD ARG A 69 10.110 -17.754 0.069 1.00 0.00 C ATOM 1153 NE ARG A 69 10.731 -16.464 0.491 1.00 0.00 N ATOM 1154 CZ ARG A 69 11.729 -15.953 -0.184 1.00 0.00 C ATOM 1155 NH1 ARG A 69 12.205 -16.569 -1.233 1.00 0.00 N ATOM 1156 NH2 ARG A 69 12.256 -14.823 0.197 1.00 0.00 N ATOM 0 H ARG A 69 5.742 -15.598 0.577 1.00 0.00 H new ATOM 0 HA ARG A 69 6.220 -18.339 1.278 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.550 -16.958 -0.363 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.172 -16.004 0.968 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.171 -18.044 1.998 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.496 -19.040 0.723 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.834 -18.564 0.157 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.816 -17.702 -0.979 1.00 0.00 H new ATOM 0 HE ARG A 69 10.374 -15.976 1.313 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.799 -17.456 -1.532 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.983 -16.163 -1.753 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.890 -14.341 1.018 1.00 0.00 H new ATOM 0 HH22 ARG A 69 13.034 -14.421 -0.326 1.00 0.00 H new ATOM 1170 N LYS A 70 6.954 -16.048 3.529 1.00 0.00 N ATOM 1171 CA LYS A 70 7.281 -15.862 4.973 1.00 0.00 C ATOM 1172 C LYS A 70 6.176 -16.476 5.840 1.00 0.00 C ATOM 1173 O LYS A 70 6.438 -17.172 6.802 1.00 0.00 O ATOM 1174 CB LYS A 70 7.388 -14.365 5.275 1.00 0.00 C ATOM 1175 CG LYS A 70 7.842 -14.168 6.722 1.00 0.00 C ATOM 1176 CD LYS A 70 8.013 -12.672 7.010 1.00 0.00 C ATOM 1177 CE LYS A 70 8.480 -12.481 8.455 1.00 0.00 C ATOM 1178 NZ LYS A 70 8.678 -11.029 8.727 1.00 0.00 N ATOM 0 H LYS A 70 6.791 -15.185 3.010 1.00 0.00 H new ATOM 0 HA LYS A 70 8.228 -16.354 5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.097 -13.895 4.593 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.424 -13.881 5.116 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.110 -14.598 7.405 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.783 -14.691 6.893 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.739 -12.239 6.322 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.070 -12.150 6.849 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.743 -12.893 9.144 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.411 -13.023 8.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.995 -10.900 9.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.397 -10.649 8.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.780 -10.523 8.584 1.00 0.00 H new ATOM 1192 N ASP A 71 4.942 -16.218 5.512 1.00 0.00 N ATOM 1193 CA ASP A 71 3.823 -16.787 6.319 1.00 0.00 C ATOM 1194 C ASP A 71 2.547 -16.827 5.467 1.00 0.00 C ATOM 1195 O ASP A 71 1.683 -15.981 5.575 1.00 0.00 O ATOM 1196 CB ASP A 71 3.593 -15.920 7.560 1.00 0.00 C ATOM 1197 CG ASP A 71 2.649 -16.649 8.522 1.00 0.00 C ATOM 1198 OD1 ASP A 71 2.504 -17.852 8.381 1.00 0.00 O ATOM 1199 OD2 ASP A 71 2.091 -15.991 9.384 1.00 0.00 O ATOM 0 H ASP A 71 4.658 -15.639 4.722 1.00 0.00 H new ATOM 0 HA ASP A 71 4.078 -17.799 6.633 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.543 -15.712 8.053 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.166 -14.959 7.272 1.00 0.00 H new ATOM 1204 N GLY A 72 2.438 -17.813 4.623 1.00 0.00 N ATOM 1205 CA GLY A 72 1.240 -17.938 3.743 1.00 0.00 C ATOM 1206 C GLY A 72 -0.040 -18.068 4.570 1.00 0.00 C ATOM 1207 O GLY A 72 -0.209 -17.440 5.596 1.00 0.00 O ATOM 0 H GLY A 72 3.136 -18.547 4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.170 -17.066 3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.349 -18.809 3.097 1.00 0.00 H new ATOM 1211 N LYS A 73 -0.952 -18.877 4.106 1.00 0.00 N ATOM 1212 CA LYS A 73 -2.252 -19.057 4.821 1.00 0.00 C ATOM 1213 C LYS A 73 -2.002 -19.277 6.313 1.00 0.00 C ATOM 1214 O LYS A 73 -1.804 -20.387 6.770 1.00 0.00 O ATOM 1215 CB LYS A 73 -2.996 -20.266 4.232 1.00 0.00 C ATOM 1216 CG LYS A 73 -3.770 -19.840 2.978 1.00 0.00 C ATOM 1217 CD LYS A 73 -2.787 -19.350 1.912 1.00 0.00 C ATOM 1218 CE LYS A 73 -3.525 -19.145 0.588 1.00 0.00 C ATOM 1219 NZ LYS A 73 -4.476 -18.006 0.721 1.00 0.00 N ATOM 0 H LYS A 73 -0.853 -19.428 3.253 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.860 -18.161 4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.286 -21.055 3.982 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.683 -20.678 4.972 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.351 -20.679 2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.478 -19.049 3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.325 -18.416 2.231 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.983 -20.075 1.783 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.811 -18.945 -0.211 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.064 -20.053 0.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.865 -17.768 -0.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.251 -18.274 1.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.977 -17.180 1.109 1.00 0.00 H new ATOM 1233 N ASP A 74 -2.031 -18.219 7.071 1.00 0.00 N ATOM 1234 CA ASP A 74 -1.814 -18.338 8.536 1.00 0.00 C ATOM 1235 C ASP A 74 -2.404 -17.107 9.230 1.00 0.00 C ATOM 1236 O ASP A 74 -1.686 -16.210 9.624 1.00 0.00 O ATOM 1237 CB ASP A 74 -0.313 -18.418 8.828 1.00 0.00 C ATOM 1238 CG ASP A 74 0.281 -19.632 8.111 1.00 0.00 C ATOM 1239 OD1 ASP A 74 0.257 -20.706 8.687 1.00 0.00 O ATOM 1240 OD2 ASP A 74 0.740 -19.466 6.992 1.00 0.00 O ATOM 0 H ASP A 74 -2.197 -17.270 6.735 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.301 -19.240 8.907 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.183 -17.506 8.494 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.144 -18.498 9.902 1.00 0.00 H new ATOM 1245 N PRO A 75 -3.705 -17.062 9.373 1.00 0.00 N ATOM 1246 CA PRO A 75 -4.400 -15.920 10.033 1.00 0.00 C ATOM 1247 C PRO A 75 -3.874 -15.674 11.454 1.00 0.00 C ATOM 1248 O PRO A 75 -3.575 -16.593 12.191 1.00 0.00 O ATOM 1249 CB PRO A 75 -5.881 -16.348 10.064 1.00 0.00 C ATOM 1250 CG PRO A 75 -6.010 -17.393 8.999 1.00 0.00 C ATOM 1251 CD PRO A 75 -4.650 -18.089 8.913 1.00 0.00 C ATOM 0 HA PRO A 75 -4.239 -14.983 9.499 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -6.156 -16.746 11.041 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.540 -15.502 9.867 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.796 -18.106 9.247 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -6.278 -16.943 8.043 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.614 -18.978 9.543 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.428 -18.411 7.895 1.00 0.00 H new ATOM 1259 N ASN A 76 -3.757 -14.437 11.833 1.00 0.00 N ATOM 1260 CA ASN A 76 -3.252 -14.111 13.195 1.00 0.00 C ATOM 1261 C ASN A 76 -3.585 -12.650 13.515 1.00 0.00 C ATOM 1262 O ASN A 76 -4.096 -12.331 14.569 1.00 0.00 O ATOM 1263 CB ASN A 76 -1.731 -14.304 13.230 1.00 0.00 C ATOM 1264 CG ASN A 76 -1.256 -14.358 14.683 1.00 0.00 C ATOM 1265 OD1 ASN A 76 -1.967 -14.825 15.551 1.00 0.00 O ATOM 1266 ND2 ASN A 76 -0.073 -13.897 14.989 1.00 0.00 N ATOM 0 H ASN A 76 -3.991 -13.630 11.255 1.00 0.00 H new ATOM 0 HA ASN A 76 -3.720 -14.766 13.930 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -1.459 -15.224 12.713 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -1.238 -13.486 12.705 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.253 -13.929 15.955 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.525 -13.505 14.262 1.00 0.00 H new ATOM 1273 N GLN A 77 -3.283 -11.762 12.607 1.00 0.00 N ATOM 1274 CA GLN A 77 -3.560 -10.312 12.844 1.00 0.00 C ATOM 1275 C GLN A 77 -5.040 -10.002 12.583 1.00 0.00 C ATOM 1276 O GLN A 77 -5.667 -10.563 11.705 1.00 0.00 O ATOM 1277 CB GLN A 77 -2.675 -9.473 11.918 1.00 0.00 C ATOM 1278 CG GLN A 77 -2.852 -7.982 12.227 1.00 0.00 C ATOM 1279 CD GLN A 77 -2.331 -7.682 13.634 1.00 0.00 C ATOM 1280 OE1 GLN A 77 -1.335 -8.233 14.058 1.00 0.00 O ATOM 1281 NE2 GLN A 77 -2.970 -6.824 14.382 1.00 0.00 N ATOM 0 H GLN A 77 -2.854 -11.977 11.707 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.336 -10.067 13.882 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.630 -9.757 12.045 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.934 -9.670 10.878 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.313 -7.382 11.494 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.904 -7.708 12.152 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.806 -6.361 14.026 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.633 -6.617 15.322 1.00 0.00 H new ATOM 1290 N PHE A 78 -5.594 -9.099 13.350 1.00 0.00 N ATOM 1291 CA PHE A 78 -7.029 -8.729 13.182 1.00 0.00 C ATOM 1292 C PHE A 78 -7.278 -8.218 11.760 1.00 0.00 C ATOM 1293 O PHE A 78 -6.908 -7.114 11.403 1.00 0.00 O ATOM 1294 CB PHE A 78 -7.387 -7.647 14.201 1.00 0.00 C ATOM 1295 CG PHE A 78 -7.349 -8.242 15.592 1.00 0.00 C ATOM 1296 CD1 PHE A 78 -8.468 -8.918 16.094 1.00 0.00 C ATOM 1297 CD2 PHE A 78 -6.196 -8.118 16.377 1.00 0.00 C ATOM 1298 CE1 PHE A 78 -8.433 -9.473 17.379 1.00 0.00 C ATOM 1299 CE2 PHE A 78 -6.161 -8.673 17.664 1.00 0.00 C ATOM 1300 CZ PHE A 78 -7.281 -9.350 18.164 1.00 0.00 C ATOM 0 H PHE A 78 -5.107 -8.598 14.093 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.654 -9.606 13.347 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.685 -6.816 14.129 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -8.379 -7.246 13.991 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -9.358 -9.011 15.490 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.334 -7.595 15.991 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -9.295 -9.996 17.765 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.272 -8.579 18.269 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.255 -9.777 19.156 1.00 0.00 H new ATOM 1310 N THR A 79 -7.901 -9.028 10.948 1.00 0.00 N ATOM 1311 CA THR A 79 -8.181 -8.631 9.540 1.00 0.00 C ATOM 1312 C THR A 79 -9.527 -7.906 9.443 1.00 0.00 C ATOM 1313 O THR A 79 -10.357 -7.992 10.328 1.00 0.00 O ATOM 1314 CB THR A 79 -8.213 -9.885 8.664 1.00 0.00 C ATOM 1315 OG1 THR A 79 -9.329 -10.685 9.029 1.00 0.00 O ATOM 1316 CG2 THR A 79 -6.927 -10.686 8.869 1.00 0.00 C ATOM 0 H THR A 79 -8.231 -9.958 11.204 1.00 0.00 H new ATOM 0 HA THR A 79 -7.397 -7.955 9.199 1.00 0.00 H new ATOM 0 HB THR A 79 -8.296 -9.594 7.617 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.353 -11.488 8.468 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.951 -11.579 8.244 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.069 -10.073 8.593 1.00 0.00 H new ATOM 0 HG23 THR A 79 -6.843 -10.978 9.916 1.00 0.00 H new ATOM 1324 N ILE A 80 -9.727 -7.195 8.356 1.00 0.00 N ATOM 1325 CA ILE A 80 -10.998 -6.425 8.128 1.00 0.00 C ATOM 1326 C ILE A 80 -11.557 -5.886 9.454 1.00 0.00 C ATOM 1327 O ILE A 80 -12.746 -5.695 9.612 1.00 0.00 O ATOM 1328 CB ILE A 80 -12.040 -7.304 7.414 1.00 0.00 C ATOM 1329 CG1 ILE A 80 -12.338 -8.561 8.244 1.00 0.00 C ATOM 1330 CG2 ILE A 80 -11.491 -7.711 6.041 1.00 0.00 C ATOM 1331 CD1 ILE A 80 -13.510 -9.333 7.620 1.00 0.00 C ATOM 0 H ILE A 80 -9.048 -7.114 7.600 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.771 -5.573 7.488 1.00 0.00 H new ATOM 0 HB ILE A 80 -12.965 -6.740 7.294 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.454 -9.197 8.287 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -12.580 -8.282 9.269 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.222 -8.334 5.527 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.295 -6.818 5.448 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.565 -8.271 6.171 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -13.716 -10.224 8.214 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -14.395 -8.697 7.600 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -13.252 -9.627 6.603 1.00 0.00 H new ATOM 1343 N SER A 81 -10.696 -5.639 10.408 1.00 0.00 N ATOM 1344 CA SER A 81 -11.150 -5.111 11.732 1.00 0.00 C ATOM 1345 C SER A 81 -11.085 -3.580 11.730 1.00 0.00 C ATOM 1346 O SER A 81 -12.092 -2.900 11.722 1.00 0.00 O ATOM 1347 CB SER A 81 -10.235 -5.642 12.835 1.00 0.00 C ATOM 1348 OG SER A 81 -10.510 -7.019 13.053 1.00 0.00 O ATOM 0 H SER A 81 -9.689 -5.781 10.326 1.00 0.00 H new ATOM 0 HA SER A 81 -12.175 -5.435 11.911 1.00 0.00 H new ATOM 0 HB2 SER A 81 -9.191 -5.509 12.552 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.391 -5.078 13.755 1.00 0.00 H new ATOM 0 HG SER A 81 -10.479 -7.498 12.199 1.00 0.00 H new ATOM 1354 N ARG A 82 -9.898 -3.033 11.746 1.00 0.00 N ATOM 1355 CA ARG A 82 -9.751 -1.545 11.752 1.00 0.00 C ATOM 1356 C ARG A 82 -10.181 -0.989 10.392 1.00 0.00 C ATOM 1357 O ARG A 82 -10.173 0.205 10.159 1.00 0.00 O ATOM 1358 CB ARG A 82 -8.282 -1.177 12.027 1.00 0.00 C ATOM 1359 CG ARG A 82 -7.392 -1.635 10.865 1.00 0.00 C ATOM 1360 CD ARG A 82 -5.914 -1.449 11.242 1.00 0.00 C ATOM 1361 NE ARG A 82 -5.622 0.001 11.447 1.00 0.00 N ATOM 1362 CZ ARG A 82 -5.514 0.811 10.426 1.00 0.00 C ATOM 1363 NH1 ARG A 82 -5.651 0.365 9.207 1.00 0.00 N ATOM 1364 NH2 ARG A 82 -5.263 2.074 10.630 1.00 0.00 N ATOM 0 H ARG A 82 -9.021 -3.553 11.755 1.00 0.00 H new ATOM 0 HA ARG A 82 -10.380 -1.116 12.532 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -8.189 -0.099 12.162 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.950 -1.644 12.954 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -7.590 -2.682 10.633 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -7.624 -1.061 9.968 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.688 -2.007 12.151 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.275 -1.850 10.455 1.00 0.00 H new ATOM 0 HE ARG A 82 -5.506 0.363 12.393 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -5.844 -0.623 9.044 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -5.565 1.005 8.417 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -5.152 2.425 11.581 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -5.177 2.711 9.838 1.00 0.00 H new ATOM 1378 N ARG A 83 -10.562 -1.853 9.496 1.00 0.00 N ATOM 1379 CA ARG A 83 -10.996 -1.398 8.143 1.00 0.00 C ATOM 1380 C ARG A 83 -12.307 -0.614 8.240 1.00 0.00 C ATOM 1381 O ARG A 83 -13.248 -1.018 8.897 1.00 0.00 O ATOM 1382 CB ARG A 83 -11.195 -2.615 7.238 1.00 0.00 C ATOM 1383 CG ARG A 83 -11.580 -2.155 5.826 1.00 0.00 C ATOM 1384 CD ARG A 83 -11.735 -3.376 4.915 1.00 0.00 C ATOM 1385 NE ARG A 83 -11.925 -2.924 3.505 1.00 0.00 N ATOM 1386 CZ ARG A 83 -13.115 -2.628 3.051 1.00 0.00 C ATOM 1387 NH1 ARG A 83 -14.160 -2.708 3.831 1.00 0.00 N ATOM 1388 NH2 ARG A 83 -13.257 -2.248 1.813 1.00 0.00 N ATOM 0 H ARG A 83 -10.592 -2.862 9.641 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.227 -0.748 7.725 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.280 -3.206 7.201 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -11.974 -3.259 7.646 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.512 -1.591 5.857 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.816 -1.486 5.429 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.853 -4.012 4.988 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.588 -3.975 5.234 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.117 -2.845 2.888 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -14.051 -3.003 4.801 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -15.085 -2.475 3.470 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.442 -2.183 1.203 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.183 -2.016 1.454 1.00 0.00 H new ATOM 1402 N GLY A 84 -12.367 0.509 7.577 1.00 0.00 N ATOM 1403 CA GLY A 84 -13.604 1.344 7.604 1.00 0.00 C ATOM 1404 C GLY A 84 -13.668 2.111 8.929 1.00 0.00 C ATOM 1405 O GLY A 84 -14.730 2.410 9.441 1.00 0.00 O ATOM 0 H GLY A 84 -11.606 0.887 7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.604 2.041 6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -14.485 0.712 7.493 1.00 0.00 H new ATOM 1409 N ALA A 85 -12.532 2.422 9.488 1.00 0.00 N ATOM 1410 CA ALA A 85 -12.501 3.158 10.789 1.00 0.00 C ATOM 1411 C ALA A 85 -13.320 4.447 10.698 1.00 0.00 C ATOM 1412 O ALA A 85 -13.362 5.112 9.681 1.00 0.00 O ATOM 1413 CB ALA A 85 -11.054 3.497 11.142 1.00 0.00 C ATOM 0 H ALA A 85 -11.616 2.198 9.099 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.934 2.524 11.563 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -11.027 4.034 12.090 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -10.476 2.577 11.229 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -10.625 4.122 10.359 1.00 0.00 H new ATOM 1419 N LYS A 86 -13.975 4.797 11.771 1.00 0.00 N ATOM 1420 CA LYS A 86 -14.808 6.032 11.779 1.00 0.00 C ATOM 1421 C LYS A 86 -13.916 7.267 11.923 1.00 0.00 C ATOM 1422 O LYS A 86 -12.894 7.243 12.583 1.00 0.00 O ATOM 1423 CB LYS A 86 -15.797 5.968 12.946 1.00 0.00 C ATOM 1424 CG LYS A 86 -16.783 4.820 12.712 1.00 0.00 C ATOM 1425 CD LYS A 86 -17.801 4.771 13.854 1.00 0.00 C ATOM 1426 CE LYS A 86 -18.795 3.633 13.606 1.00 0.00 C ATOM 1427 NZ LYS A 86 -19.794 3.592 14.713 1.00 0.00 N ATOM 0 H LYS A 86 -13.968 4.277 12.648 1.00 0.00 H new ATOM 0 HA LYS A 86 -15.356 6.102 10.839 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -15.262 5.817 13.883 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -16.335 6.912 13.034 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -17.296 4.958 11.760 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -16.246 3.874 12.650 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -17.290 4.620 14.805 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -18.330 5.721 13.924 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -19.301 3.780 12.651 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -18.266 2.682 13.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -20.469 2.819 14.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -19.304 3.433 15.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -20.306 4.496 14.752 1.00 0.00 H new ATOM 1441 N ILE A 87 -14.306 8.348 11.306 1.00 0.00 N ATOM 1442 CA ILE A 87 -13.502 9.604 11.387 1.00 0.00 C ATOM 1443 C ILE A 87 -14.022 10.467 12.542 1.00 0.00 C ATOM 1444 O ILE A 87 -13.454 11.486 12.884 1.00 0.00 O ATOM 1445 CB ILE A 87 -13.642 10.366 10.066 1.00 0.00 C ATOM 1446 CG1 ILE A 87 -12.689 11.565 10.063 1.00 0.00 C ATOM 1447 CG2 ILE A 87 -15.087 10.863 9.904 1.00 0.00 C ATOM 1448 CD1 ILE A 87 -12.531 12.091 8.635 1.00 0.00 C ATOM 0 H ILE A 87 -15.154 8.417 10.744 1.00 0.00 H new ATOM 0 HA ILE A 87 -12.453 9.366 11.564 1.00 0.00 H new ATOM 0 HB ILE A 87 -13.394 9.700 9.240 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -13.076 12.352 10.710 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.718 11.272 10.463 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -15.182 11.405 8.963 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -15.767 10.011 9.903 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -15.338 11.526 10.731 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -11.853 12.944 8.634 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -12.124 11.304 8.000 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -13.503 12.400 8.252 1.00 0.00 H new ATOM 1460 N SER A 88 -15.094 10.049 13.149 1.00 0.00 N ATOM 1461 CA SER A 88 -15.669 10.817 14.294 1.00 0.00 C ATOM 1462 C SER A 88 -15.842 12.295 13.929 1.00 0.00 C ATOM 1463 O SER A 88 -15.479 12.739 12.856 1.00 0.00 O ATOM 1464 CB SER A 88 -14.746 10.700 15.505 1.00 0.00 C ATOM 1465 OG SER A 88 -15.195 11.589 16.523 1.00 0.00 O ATOM 0 H SER A 88 -15.604 9.201 12.902 1.00 0.00 H new ATOM 0 HA SER A 88 -16.648 10.399 14.530 1.00 0.00 H new ATOM 0 HB2 SER A 88 -14.742 9.675 15.876 1.00 0.00 H new ATOM 0 HB3 SER A 88 -13.721 10.941 15.221 1.00 0.00 H new ATOM 0 HG SER A 88 -14.607 11.516 17.303 1.00 0.00 H new ATOM 1471 N GLU A 89 -16.403 13.055 14.831 1.00 0.00 N ATOM 1472 CA GLU A 89 -16.623 14.506 14.572 1.00 0.00 C ATOM 1473 C GLU A 89 -15.328 15.281 14.824 1.00 0.00 C ATOM 1474 O GLU A 89 -15.419 16.447 15.179 1.00 0.00 O ATOM 1475 CB GLU A 89 -17.726 15.018 15.509 1.00 0.00 C ATOM 1476 CG GLU A 89 -17.299 14.838 16.972 1.00 0.00 C ATOM 1477 CD GLU A 89 -18.423 15.314 17.899 1.00 0.00 C ATOM 1478 OE1 GLU A 89 -19.112 16.250 17.527 1.00 0.00 O ATOM 1479 OE2 GLU A 89 -18.573 14.738 18.964 1.00 0.00 O ATOM 1480 OXT GLU A 89 -14.269 14.702 14.654 1.00 0.00 O ATOM 0 H GLU A 89 -16.721 12.729 15.744 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.924 14.652 13.535 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -17.926 16.070 15.307 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -18.653 14.476 15.323 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -17.071 13.790 17.168 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -16.388 15.404 17.168 1.00 0.00 H new TER 1487 GLU A 89