USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 881 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 52 SER OG : rot 18:sc= -2.1 USER MOD Set 1.2: A 64 MET CE :methyl 136:sc= -1.46 (180deg=-4.05!) USER MOD Set 2.1: A 32 MET CE :methyl -156:sc= -0.689 (180deg=-1.91!) USER MOD Set 2.2: A 84 SER OG : rot 130:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0474 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -52:sc= 0.951 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 14 MET CE :methyl -153:sc= -1.51 (180deg=-3.75!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0113 X(o=-0.011,f=-0.12) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.383 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -2.04! C(o=-2!,f=-5.3!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -140:sc= -1.19 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -133:sc= -0.304 (180deg=-4.96!) USER MOD Single : A 60 MET CE :methyl 156:sc= -4.58 (180deg=-6.85!) USER MOD Single : A 61 ASN : amide:sc= -1.03 K(o=-1,f=-1.6) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 145:sc= 0 (180deg=-1.12) USER MOD Single : A 68 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0463) USER MOD Single : A 71 ASN : amide:sc= -2.99! C(o=-3!,f=-2.9!) USER MOD Single : A 76 SER OG : rot -170:sc= 0.0197 USER MOD Single : A 81 GLN : amide:sc= -2.79 K(o=-2.8,f=-8.7!) USER MOD Single : A 86 SER OG : rot 160:sc=-0.00431 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc=0.000122 USER MOD Single : A 91 GLN : amide:sc= -0.0154 X(o=-0.015,f=0) USER MOD Single : A 97 HIS : no HE2:sc= -3.44! C(o=-3.4!,f=-6.4!) USER MOD Single : A 100 SER OG : rot 130:sc= 1.02 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0045) USER MOD Single : A 108 SER OG : rot 180:sc= -0.0322 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 50:sc= 0.864 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.874 28.356 -6.668 1.00 0.00 N ATOM 2 CA GLY A 1 -12.604 28.601 -7.332 1.00 0.00 C ATOM 3 C GLY A 1 -12.482 27.765 -8.608 1.00 0.00 C ATOM 4 O GLY A 1 -13.489 27.379 -9.200 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.334 29.264 -6.452 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.490 27.796 -7.292 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.709 27.833 -5.785 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.516 29.660 -7.577 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.784 28.361 -6.656 1.00 0.00 H new ATOM 8 N SER A 2 -11.241 27.510 -8.993 1.00 0.00 N ATOM 9 CA SER A 2 -10.974 26.727 -10.188 1.00 0.00 C ATOM 10 C SER A 2 -9.741 25.847 -9.973 1.00 0.00 C ATOM 11 O SER A 2 -8.664 26.349 -9.652 1.00 0.00 O ATOM 12 CB SER A 2 -10.775 27.631 -11.406 1.00 0.00 C ATOM 13 OG SER A 2 -11.801 28.614 -11.514 1.00 0.00 O ATOM 0 H SER A 2 -10.409 27.832 -8.499 1.00 0.00 H new ATOM 0 HA SER A 2 -11.838 26.090 -10.379 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.806 28.125 -11.337 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.759 27.023 -12.310 1.00 0.00 H new ATOM 0 HG SER A 2 -11.638 29.172 -12.303 1.00 0.00 H new ATOM 19 N SER A 3 -9.939 24.550 -10.157 1.00 0.00 N ATOM 20 CA SER A 3 -8.856 23.596 -9.987 1.00 0.00 C ATOM 21 C SER A 3 -7.875 23.705 -11.155 1.00 0.00 C ATOM 22 O SER A 3 -8.287 23.797 -12.311 1.00 0.00 O ATOM 23 CB SER A 3 -9.393 22.168 -9.876 1.00 0.00 C ATOM 24 OG SER A 3 -9.362 21.688 -8.535 1.00 0.00 O ATOM 0 H SER A 3 -10.833 24.137 -10.422 1.00 0.00 H new ATOM 0 HA SER A 3 -8.334 23.832 -9.060 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.417 22.136 -10.249 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.802 21.508 -10.511 1.00 0.00 H new ATOM 0 HG SER A 3 -9.714 20.774 -8.506 1.00 0.00 H new ATOM 30 N GLY A 4 -6.594 23.691 -10.814 1.00 0.00 N ATOM 31 CA GLY A 4 -5.551 23.787 -11.820 1.00 0.00 C ATOM 32 C GLY A 4 -4.227 24.234 -11.196 1.00 0.00 C ATOM 33 O GLY A 4 -4.192 24.654 -10.040 1.00 0.00 O ATOM 0 H GLY A 4 -6.256 23.615 -9.855 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.420 22.820 -12.306 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.850 24.495 -12.593 1.00 0.00 H new ATOM 37 N SER A 5 -3.171 24.129 -11.989 1.00 0.00 N ATOM 38 CA SER A 5 -1.848 24.517 -11.529 1.00 0.00 C ATOM 39 C SER A 5 -1.446 23.672 -10.318 1.00 0.00 C ATOM 40 O SER A 5 -1.482 24.149 -9.185 1.00 0.00 O ATOM 41 CB SER A 5 -1.802 26.005 -11.176 1.00 0.00 C ATOM 42 OG SER A 5 -0.466 26.480 -11.034 1.00 0.00 O ATOM 0 H SER A 5 -3.204 23.781 -12.947 1.00 0.00 H new ATOM 0 HA SER A 5 -1.140 24.341 -12.338 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.309 26.577 -11.952 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.347 26.174 -10.247 1.00 0.00 H new ATOM 0 HG SER A 5 -0.480 27.434 -10.810 1.00 0.00 H new ATOM 48 N SER A 6 -1.073 22.432 -10.600 1.00 0.00 N ATOM 49 CA SER A 6 -0.665 21.517 -9.548 1.00 0.00 C ATOM 50 C SER A 6 -0.331 20.149 -10.146 1.00 0.00 C ATOM 51 O SER A 6 -0.941 19.731 -11.129 1.00 0.00 O ATOM 52 CB SER A 6 -1.756 21.379 -8.484 1.00 0.00 C ATOM 53 OG SER A 6 -3.018 21.042 -9.054 1.00 0.00 O ATOM 0 H SER A 6 -1.045 22.040 -11.541 1.00 0.00 H new ATOM 0 HA SER A 6 0.224 21.924 -9.067 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.467 20.612 -7.765 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.845 22.315 -7.933 1.00 0.00 H new ATOM 0 HG SER A 6 -3.687 20.961 -8.343 1.00 0.00 H new ATOM 59 N GLY A 7 0.638 19.489 -9.528 1.00 0.00 N ATOM 60 CA GLY A 7 1.060 18.176 -9.987 1.00 0.00 C ATOM 61 C GLY A 7 2.004 17.520 -8.977 1.00 0.00 C ATOM 62 O GLY A 7 3.223 17.583 -9.130 1.00 0.00 O ATOM 0 H GLY A 7 1.143 19.839 -8.714 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.187 17.542 -10.139 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.560 18.267 -10.951 1.00 0.00 H new ATOM 66 N ASP A 8 1.405 16.906 -7.967 1.00 0.00 N ATOM 67 CA ASP A 8 2.177 16.239 -6.933 1.00 0.00 C ATOM 68 C ASP A 8 1.418 15.000 -6.455 1.00 0.00 C ATOM 69 O ASP A 8 0.861 14.994 -5.358 1.00 0.00 O ATOM 70 CB ASP A 8 2.391 17.157 -5.728 1.00 0.00 C ATOM 71 CG ASP A 8 3.637 18.042 -5.802 1.00 0.00 C ATOM 72 OD1 ASP A 8 4.251 18.067 -6.891 1.00 0.00 O ATOM 73 OD2 ASP A 8 3.946 18.675 -4.769 1.00 0.00 O ATOM 0 H ASP A 8 0.394 16.857 -7.843 1.00 0.00 H new ATOM 0 HA ASP A 8 3.144 15.968 -7.356 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.515 17.797 -5.618 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.453 16.543 -4.829 1.00 0.00 H new ATOM 78 N LYS A 9 1.419 13.981 -7.302 1.00 0.00 N ATOM 79 CA LYS A 9 0.737 12.739 -6.979 1.00 0.00 C ATOM 80 C LYS A 9 1.661 11.560 -7.289 1.00 0.00 C ATOM 81 O LYS A 9 1.813 11.173 -8.447 1.00 0.00 O ATOM 82 CB LYS A 9 -0.613 12.667 -7.696 1.00 0.00 C ATOM 83 CG LYS A 9 -1.725 13.263 -6.831 1.00 0.00 C ATOM 84 CD LYS A 9 -2.682 14.109 -7.673 1.00 0.00 C ATOM 85 CE LYS A 9 -3.815 13.253 -8.241 1.00 0.00 C ATOM 86 NZ LYS A 9 -4.505 13.968 -9.339 1.00 0.00 N ATOM 0 H LYS A 9 1.881 13.990 -8.211 1.00 0.00 H new ATOM 0 HA LYS A 9 0.509 12.695 -5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.555 13.205 -8.642 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.848 11.629 -7.933 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.278 12.462 -6.341 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.288 13.877 -6.043 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.098 14.910 -7.062 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.134 14.581 -8.488 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.415 12.308 -8.609 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.527 13.012 -7.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.271 13.373 -9.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.903 14.858 -8.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.826 14.176 -10.099 1.00 0.00 H new ATOM 100 N PRO A 10 2.270 11.007 -6.206 1.00 0.00 N ATOM 101 CA PRO A 10 3.175 9.879 -6.350 1.00 0.00 C ATOM 102 C PRO A 10 2.402 8.587 -6.619 1.00 0.00 C ATOM 103 O PRO A 10 2.907 7.684 -7.285 1.00 0.00 O ATOM 104 CB PRO A 10 3.966 9.840 -5.053 1.00 0.00 C ATOM 105 CG PRO A 10 3.160 10.650 -4.050 1.00 0.00 C ATOM 106 CD PRO A 10 2.114 11.439 -4.820 1.00 0.00 C ATOM 0 HA PRO A 10 3.844 9.983 -7.205 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.101 8.815 -4.709 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.961 10.265 -5.189 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.683 9.992 -3.323 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.811 11.323 -3.492 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.110 11.231 -4.451 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.274 12.512 -4.719 1.00 0.00 H new ATOM 114 N LEU A 11 1.190 8.538 -6.086 1.00 0.00 N ATOM 115 CA LEU A 11 0.342 7.371 -6.259 1.00 0.00 C ATOM 116 C LEU A 11 -0.699 7.659 -7.342 1.00 0.00 C ATOM 117 O LEU A 11 -1.713 6.969 -7.433 1.00 0.00 O ATOM 118 CB LEU A 11 -0.264 6.946 -4.920 1.00 0.00 C ATOM 119 CG LEU A 11 0.706 6.332 -3.909 1.00 0.00 C ATOM 120 CD1 LEU A 11 1.734 5.439 -4.607 1.00 0.00 C ATOM 121 CD2 LEU A 11 1.372 7.417 -3.061 1.00 0.00 C ATOM 0 H LEU A 11 0.775 9.288 -5.534 1.00 0.00 H new ATOM 0 HA LEU A 11 0.930 6.519 -6.601 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.731 7.818 -4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.058 6.225 -5.116 1.00 0.00 H new ATOM 0 HG LEU A 11 0.136 5.697 -3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.411 5.015 -3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.220 4.633 -5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.304 6.031 -5.323 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.057 6.954 -2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.926 8.096 -3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.609 7.975 -2.519 1.00 0.00 H new ATOM 133 N SER A 12 -0.413 8.680 -8.137 1.00 0.00 N ATOM 134 CA SER A 12 -1.312 9.067 -9.211 1.00 0.00 C ATOM 135 C SER A 12 -1.457 7.919 -10.212 1.00 0.00 C ATOM 136 O SER A 12 -0.534 7.636 -10.975 1.00 0.00 O ATOM 137 CB SER A 12 -0.814 10.329 -9.918 1.00 0.00 C ATOM 138 OG SER A 12 -0.537 10.095 -11.296 1.00 0.00 O ATOM 0 H SER A 12 0.429 9.251 -8.059 1.00 0.00 H new ATOM 0 HA SER A 12 -2.288 9.287 -8.778 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.564 11.115 -9.827 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.088 10.690 -9.423 1.00 0.00 H new ATOM 0 HG SER A 12 0.055 9.319 -11.383 1.00 0.00 H new ATOM 144 N ASN A 13 -2.622 7.290 -10.178 1.00 0.00 N ATOM 145 CA ASN A 13 -2.899 6.179 -11.073 1.00 0.00 C ATOM 146 C ASN A 13 -2.326 4.893 -10.475 1.00 0.00 C ATOM 147 O ASN A 13 -1.543 4.199 -11.122 1.00 0.00 O ATOM 148 CB ASN A 13 -2.247 6.397 -12.439 1.00 0.00 C ATOM 149 CG ASN A 13 -3.011 5.652 -13.536 1.00 0.00 C ATOM 150 OD1 ASN A 13 -4.203 5.828 -13.727 1.00 0.00 O ATOM 151 ND2 ASN A 13 -2.260 4.813 -14.244 1.00 0.00 N ATOM 0 H ASN A 13 -3.385 7.528 -9.545 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.980 6.107 -11.197 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.221 7.462 -12.668 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.213 6.052 -12.412 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.677 4.269 -15.000 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.267 4.714 -14.031 1.00 0.00 H new ATOM 158 N MET A 14 -2.737 4.614 -9.247 1.00 0.00 N ATOM 159 CA MET A 14 -2.274 3.423 -8.555 1.00 0.00 C ATOM 160 C MET A 14 -3.165 3.106 -7.352 1.00 0.00 C ATOM 161 O MET A 14 -3.405 3.969 -6.509 1.00 0.00 O ATOM 162 CB MET A 14 -0.834 3.634 -8.083 1.00 0.00 C ATOM 163 CG MET A 14 0.164 3.213 -9.163 1.00 0.00 C ATOM 164 SD MET A 14 1.341 2.053 -8.488 1.00 0.00 S ATOM 165 CE MET A 14 1.708 2.853 -6.935 1.00 0.00 C ATOM 0 H MET A 14 -3.386 5.192 -8.713 1.00 0.00 H new ATOM 0 HA MET A 14 -2.319 2.583 -9.248 1.00 0.00 H new ATOM 0 HB2 MET A 14 -0.680 4.683 -7.830 1.00 0.00 H new ATOM 0 HB3 MET A 14 -0.657 3.058 -7.175 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.365 2.761 -10.002 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.685 4.089 -9.550 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.711 2.575 -6.610 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.654 3.934 -7.061 1.00 0.00 H new ATOM 0 HE3 MET A 14 0.983 2.539 -6.184 1.00 0.00 H new ATOM 175 N LYS A 15 -3.631 1.867 -7.311 1.00 0.00 N ATOM 176 CA LYS A 15 -4.490 1.426 -6.225 1.00 0.00 C ATOM 177 C LYS A 15 -3.625 0.889 -5.083 1.00 0.00 C ATOM 178 O LYS A 15 -2.764 0.038 -5.298 1.00 0.00 O ATOM 179 CB LYS A 15 -5.526 0.423 -6.736 1.00 0.00 C ATOM 180 CG LYS A 15 -6.905 1.074 -6.858 1.00 0.00 C ATOM 181 CD LYS A 15 -7.814 0.263 -7.784 1.00 0.00 C ATOM 182 CE LYS A 15 -9.106 1.024 -8.088 1.00 0.00 C ATOM 183 NZ LYS A 15 -8.877 2.031 -9.149 1.00 0.00 N ATOM 0 H LYS A 15 -3.430 1.154 -8.012 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.061 2.264 -5.826 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.215 0.036 -7.707 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.580 -0.428 -6.056 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.362 1.153 -5.872 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.800 2.088 -7.243 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.289 0.044 -8.714 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.052 -0.694 -7.319 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.881 0.325 -8.403 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.467 1.515 -7.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.764 2.538 -9.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.152 2.708 -8.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.554 1.555 -10.015 1.00 0.00 H new ATOM 197 N ILE A 16 -3.885 1.409 -3.892 1.00 0.00 N ATOM 198 CA ILE A 16 -3.142 0.992 -2.715 1.00 0.00 C ATOM 199 C ILE A 16 -4.048 0.147 -1.818 1.00 0.00 C ATOM 200 O ILE A 16 -5.224 0.461 -1.645 1.00 0.00 O ATOM 201 CB ILE A 16 -2.535 2.206 -2.008 1.00 0.00 C ATOM 202 CG1 ILE A 16 -1.532 2.924 -2.913 1.00 0.00 C ATOM 203 CG2 ILE A 16 -1.914 1.806 -0.668 1.00 0.00 C ATOM 204 CD1 ILE A 16 -2.231 3.533 -4.130 1.00 0.00 C ATOM 0 H ILE A 16 -4.600 2.115 -3.717 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.299 0.363 -2.999 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.337 2.912 -1.794 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.025 3.708 -2.350 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.766 2.222 -3.242 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.490 2.687 -0.186 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.682 1.375 -0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.127 1.071 -0.837 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.496 4.038 -4.757 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.717 2.743 -4.704 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.979 4.253 -3.798 1.00 0.00 H new ATOM 216 N LEU A 17 -3.464 -0.909 -1.270 1.00 0.00 N ATOM 217 CA LEU A 17 -4.204 -1.803 -0.395 1.00 0.00 C ATOM 218 C LEU A 17 -3.750 -1.586 1.050 1.00 0.00 C ATOM 219 O LEU A 17 -2.675 -1.038 1.291 1.00 0.00 O ATOM 220 CB LEU A 17 -4.071 -3.251 -0.870 1.00 0.00 C ATOM 221 CG LEU A 17 -5.212 -4.193 -0.480 1.00 0.00 C ATOM 222 CD1 LEU A 17 -4.966 -4.809 0.899 1.00 0.00 C ATOM 223 CD2 LEU A 17 -6.563 -3.479 -0.556 1.00 0.00 C ATOM 0 H LEU A 17 -2.487 -1.165 -1.415 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.270 -1.577 -0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.983 -3.249 -1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.140 -3.658 -0.476 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.240 -5.012 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.791 -5.474 1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.035 -5.375 0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.897 -4.017 1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.357 -4.171 -0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.564 -2.628 0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.732 -3.128 -1.574 1.00 0.00 H new ATOM 235 N THR A 18 -4.591 -2.027 1.974 1.00 0.00 N ATOM 236 CA THR A 18 -4.289 -1.888 3.389 1.00 0.00 C ATOM 237 C THR A 18 -4.764 -3.122 4.159 1.00 0.00 C ATOM 238 O THR A 18 -5.789 -3.712 3.821 1.00 0.00 O ATOM 239 CB THR A 18 -4.920 -0.584 3.881 1.00 0.00 C ATOM 240 OG1 THR A 18 -6.314 -0.763 3.647 1.00 0.00 O ATOM 241 CG2 THR A 18 -4.546 0.614 3.006 1.00 0.00 C ATOM 0 H THR A 18 -5.482 -2.481 1.771 1.00 0.00 H new ATOM 0 HA THR A 18 -3.214 -1.831 3.561 1.00 0.00 H new ATOM 0 HB THR A 18 -4.608 -0.395 4.908 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.800 0.036 3.939 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.020 1.514 3.399 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.464 0.743 3.009 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.888 0.440 1.986 1.00 0.00 H new ATOM 249 N LEU A 19 -3.997 -3.474 5.180 1.00 0.00 N ATOM 250 CA LEU A 19 -4.326 -4.627 6.001 1.00 0.00 C ATOM 251 C LEU A 19 -4.202 -4.247 7.478 1.00 0.00 C ATOM 252 O LEU A 19 -3.786 -3.137 7.804 1.00 0.00 O ATOM 253 CB LEU A 19 -3.472 -5.831 5.601 1.00 0.00 C ATOM 254 CG LEU A 19 -4.237 -7.065 5.117 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.282 -8.105 4.526 1.00 0.00 C ATOM 256 CD2 LEU A 19 -5.099 -7.650 6.238 1.00 0.00 C ATOM 0 H LEU A 19 -3.148 -2.981 5.458 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.360 -4.931 5.835 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.788 -5.520 4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.862 -6.119 6.457 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.912 -6.757 4.319 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.851 -8.972 4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.749 -7.670 3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.565 -8.414 5.287 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.632 -8.526 5.868 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.462 -7.939 7.074 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.818 -6.902 6.572 1.00 0.00 H new ATOM 268 N GLY A 20 -4.570 -5.192 8.331 1.00 0.00 N ATOM 269 CA GLY A 20 -4.505 -4.971 9.766 1.00 0.00 C ATOM 270 C GLY A 20 -5.034 -3.583 10.131 1.00 0.00 C ATOM 271 O GLY A 20 -6.231 -3.321 10.018 1.00 0.00 O ATOM 0 H GLY A 20 -4.914 -6.112 8.056 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.088 -5.734 10.282 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.475 -5.073 10.107 1.00 0.00 H new ATOM 275 N LYS A 21 -4.117 -2.729 10.562 1.00 0.00 N ATOM 276 CA LYS A 21 -4.476 -1.374 10.945 1.00 0.00 C ATOM 277 C LYS A 21 -3.210 -0.602 11.319 1.00 0.00 C ATOM 278 O LYS A 21 -2.353 -1.117 12.035 1.00 0.00 O ATOM 279 CB LYS A 21 -5.535 -1.392 12.049 1.00 0.00 C ATOM 280 CG LYS A 21 -6.369 -0.110 12.030 1.00 0.00 C ATOM 281 CD LYS A 21 -6.278 0.623 13.370 1.00 0.00 C ATOM 282 CE LYS A 21 -7.582 1.361 13.681 1.00 0.00 C ATOM 283 NZ LYS A 21 -8.579 0.431 14.257 1.00 0.00 N ATOM 0 H LYS A 21 -3.125 -2.949 10.654 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.933 -0.849 10.106 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.187 -2.256 11.919 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.052 -1.501 13.020 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.021 0.543 11.230 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.410 -0.352 11.814 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.061 -0.091 14.165 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.451 1.333 13.345 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.388 2.175 14.380 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.979 1.810 12.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.458 0.948 14.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.776 -0.331 13.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.205 0.022 15.137 1.00 0.00 H new ATOM 297 N LEU A 22 -3.132 0.623 10.818 1.00 0.00 N ATOM 298 CA LEU A 22 -1.985 1.471 11.091 1.00 0.00 C ATOM 299 C LEU A 22 -2.307 2.394 12.268 1.00 0.00 C ATOM 300 O LEU A 22 -3.285 2.177 12.982 1.00 0.00 O ATOM 301 CB LEU A 22 -1.556 2.216 9.825 1.00 0.00 C ATOM 302 CG LEU A 22 -1.627 1.419 8.521 1.00 0.00 C ATOM 303 CD1 LEU A 22 -0.796 0.138 8.616 1.00 0.00 C ATOM 304 CD2 LEU A 22 -3.079 1.133 8.132 1.00 0.00 C ATOM 0 H LEU A 22 -3.845 1.048 10.225 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.126 0.867 11.384 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.181 3.103 9.720 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.531 2.562 9.961 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.194 2.025 7.725 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.863 -0.410 7.676 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.245 0.393 8.813 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.177 -0.483 9.426 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.101 0.565 7.202 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.560 0.555 8.921 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.611 2.074 7.996 1.00 0.00 H new ATOM 316 N SER A 23 -1.467 3.405 12.434 1.00 0.00 N ATOM 317 CA SER A 23 -1.650 4.361 13.512 1.00 0.00 C ATOM 318 C SER A 23 -2.772 5.339 13.159 1.00 0.00 C ATOM 319 O SER A 23 -3.370 5.949 14.044 1.00 0.00 O ATOM 320 CB SER A 23 -0.354 5.123 13.799 1.00 0.00 C ATOM 321 OG SER A 23 -0.128 5.284 15.197 1.00 0.00 O ATOM 0 H SER A 23 -0.657 3.583 11.839 1.00 0.00 H new ATOM 0 HA SER A 23 -1.924 3.812 14.413 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.486 4.589 13.355 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.397 6.103 13.323 1.00 0.00 H new ATOM 0 HG SER A 23 0.709 5.773 15.339 1.00 0.00 H new ATOM 327 N ARG A 24 -3.025 5.458 11.864 1.00 0.00 N ATOM 328 CA ARG A 24 -4.066 6.351 11.383 1.00 0.00 C ATOM 329 C ARG A 24 -5.357 5.571 11.125 1.00 0.00 C ATOM 330 O ARG A 24 -5.392 4.352 11.282 1.00 0.00 O ATOM 331 CB ARG A 24 -3.636 7.053 10.093 1.00 0.00 C ATOM 332 CG ARG A 24 -2.607 8.148 10.382 1.00 0.00 C ATOM 333 CD ARG A 24 -3.028 9.476 9.749 1.00 0.00 C ATOM 334 NE ARG A 24 -1.885 10.416 9.738 1.00 0.00 N ATOM 335 CZ ARG A 24 -0.858 10.340 8.881 1.00 0.00 C ATOM 336 NH1 ARG A 24 -0.824 9.367 7.961 1.00 0.00 N ATOM 337 NH2 ARG A 24 0.136 11.237 8.944 1.00 0.00 N ATOM 0 H ARG A 24 -2.527 4.951 11.133 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.240 7.103 12.152 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.213 6.324 9.402 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.507 7.488 9.603 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.496 8.273 11.459 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.633 7.849 9.994 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.381 9.308 8.732 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.859 9.907 10.307 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.879 11.169 10.426 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.580 8.684 7.913 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.042 9.309 7.309 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.111 11.978 9.645 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.918 11.179 8.291 1.00 0.00 H new ATOM 351 N ASN A 25 -6.387 6.307 10.734 1.00 0.00 N ATOM 352 CA ASN A 25 -7.676 5.701 10.453 1.00 0.00 C ATOM 353 C ASN A 25 -7.772 5.384 8.959 1.00 0.00 C ATOM 354 O ASN A 25 -7.191 6.088 8.133 1.00 0.00 O ATOM 355 CB ASN A 25 -8.822 6.651 10.809 1.00 0.00 C ATOM 356 CG ASN A 25 -8.946 6.816 12.325 1.00 0.00 C ATOM 357 OD1 ASN A 25 -8.995 5.857 13.078 1.00 0.00 O ATOM 358 ND2 ASN A 25 -8.994 8.082 12.729 1.00 0.00 N ATOM 0 H ASN A 25 -6.354 7.318 10.605 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.759 4.795 11.053 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.650 7.623 10.347 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.758 6.266 10.404 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.077 8.297 13.723 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.948 8.838 12.045 1.00 0.00 H new ATOM 365 N LYS A 26 -8.509 4.325 8.657 1.00 0.00 N ATOM 366 CA LYS A 26 -8.687 3.907 7.277 1.00 0.00 C ATOM 367 C LYS A 26 -8.928 5.140 6.402 1.00 0.00 C ATOM 368 O LYS A 26 -8.268 5.318 5.379 1.00 0.00 O ATOM 369 CB LYS A 26 -9.794 2.856 7.174 1.00 0.00 C ATOM 370 CG LYS A 26 -9.388 1.723 6.228 1.00 0.00 C ATOM 371 CD LYS A 26 -10.598 1.197 5.453 1.00 0.00 C ATOM 372 CE LYS A 26 -10.173 0.155 4.416 1.00 0.00 C ATOM 373 NZ LYS A 26 -10.458 -1.211 4.907 1.00 0.00 N ATOM 0 H LYS A 26 -8.990 3.744 9.344 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.783 3.423 6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.008 2.450 8.163 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.711 3.323 6.816 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.632 2.081 5.530 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.936 0.912 6.799 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.314 0.755 6.146 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.104 2.025 4.956 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.702 0.329 3.479 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.109 0.257 4.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.164 -1.906 4.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.934 -1.379 5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.478 -1.310 5.086 1.00 0.00 H new ATOM 387 N ASP A 27 -9.874 5.959 6.837 1.00 0.00 N ATOM 388 CA ASP A 27 -10.209 7.169 6.106 1.00 0.00 C ATOM 389 C ASP A 27 -8.944 8.005 5.903 1.00 0.00 C ATOM 390 O ASP A 27 -8.506 8.210 4.772 1.00 0.00 O ATOM 391 CB ASP A 27 -11.217 8.019 6.882 1.00 0.00 C ATOM 392 CG ASP A 27 -12.473 8.409 6.099 1.00 0.00 C ATOM 393 OD1 ASP A 27 -12.380 9.388 5.327 1.00 0.00 O ATOM 394 OD2 ASP A 27 -13.498 7.719 6.290 1.00 0.00 O ATOM 0 H ASP A 27 -10.419 5.809 7.686 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.643 6.876 5.150 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.519 7.472 7.775 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.720 8.929 7.218 1.00 0.00 H new ATOM 399 N GLU A 28 -8.391 8.464 7.017 1.00 0.00 N ATOM 400 CA GLU A 28 -7.185 9.273 6.975 1.00 0.00 C ATOM 401 C GLU A 28 -6.227 8.742 5.907 1.00 0.00 C ATOM 402 O GLU A 28 -5.597 9.519 5.191 1.00 0.00 O ATOM 403 CB GLU A 28 -6.507 9.317 8.346 1.00 0.00 C ATOM 404 CG GLU A 28 -7.347 10.112 9.347 1.00 0.00 C ATOM 405 CD GLU A 28 -6.470 11.065 10.163 1.00 0.00 C ATOM 406 OE1 GLU A 28 -6.039 12.081 9.577 1.00 0.00 O ATOM 407 OE2 GLU A 28 -6.252 10.756 11.354 1.00 0.00 O ATOM 0 H GLU A 28 -8.756 8.291 7.954 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.464 10.293 6.711 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.359 8.302 8.715 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.520 9.770 8.253 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.111 10.680 8.816 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.867 9.427 10.017 1.00 0.00 H new ATOM 414 N VAL A 29 -6.147 7.421 5.832 1.00 0.00 N ATOM 415 CA VAL A 29 -5.276 6.778 4.863 1.00 0.00 C ATOM 416 C VAL A 29 -5.925 6.843 3.479 1.00 0.00 C ATOM 417 O VAL A 29 -5.319 7.335 2.528 1.00 0.00 O ATOM 418 CB VAL A 29 -4.962 5.348 5.310 1.00 0.00 C ATOM 419 CG1 VAL A 29 -4.217 4.583 4.215 1.00 0.00 C ATOM 420 CG2 VAL A 29 -4.170 5.345 6.619 1.00 0.00 C ATOM 0 H VAL A 29 -6.671 6.779 6.427 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.322 7.301 4.800 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.908 4.837 5.490 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.006 3.570 4.558 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.833 4.541 3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.280 5.092 3.989 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.960 4.317 6.915 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.232 5.881 6.478 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.754 5.835 7.399 1.00 0.00 H new ATOM 430 N LYS A 30 -7.148 6.339 3.410 1.00 0.00 N ATOM 431 CA LYS A 30 -7.886 6.334 2.158 1.00 0.00 C ATOM 432 C LYS A 30 -7.780 7.712 1.503 1.00 0.00 C ATOM 433 O LYS A 30 -7.734 7.820 0.279 1.00 0.00 O ATOM 434 CB LYS A 30 -9.326 5.870 2.386 1.00 0.00 C ATOM 435 CG LYS A 30 -10.156 6.011 1.109 1.00 0.00 C ATOM 436 CD LYS A 30 -11.650 5.875 1.408 1.00 0.00 C ATOM 437 CE LYS A 30 -12.317 4.894 0.442 1.00 0.00 C ATOM 438 NZ LYS A 30 -13.790 5.022 0.507 1.00 0.00 N ATOM 0 H LYS A 30 -7.647 5.931 4.201 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.451 5.616 1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.329 4.830 2.713 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.779 6.457 3.185 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.960 6.980 0.649 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.855 5.250 0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.789 5.532 2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.130 6.850 1.330 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.974 5.086 -0.575 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.024 3.874 0.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.226 4.349 -0.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.114 4.816 1.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.066 5.991 0.248 1.00 0.00 H new ATOM 452 N ALA A 31 -7.744 8.732 2.348 1.00 0.00 N ATOM 453 CA ALA A 31 -7.645 10.100 1.866 1.00 0.00 C ATOM 454 C ALA A 31 -6.270 10.313 1.230 1.00 0.00 C ATOM 455 O ALA A 31 -6.173 10.748 0.084 1.00 0.00 O ATOM 456 CB ALA A 31 -7.910 11.068 3.020 1.00 0.00 C ATOM 0 H ALA A 31 -7.782 8.639 3.363 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.396 10.293 1.100 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.836 12.094 2.659 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.910 10.895 3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.173 10.906 3.807 1.00 0.00 H new ATOM 462 N MET A 32 -5.241 9.997 2.003 1.00 0.00 N ATOM 463 CA MET A 32 -3.875 10.149 1.529 1.00 0.00 C ATOM 464 C MET A 32 -3.681 9.451 0.182 1.00 0.00 C ATOM 465 O MET A 32 -3.366 10.097 -0.816 1.00 0.00 O ATOM 466 CB MET A 32 -2.910 9.553 2.556 1.00 0.00 C ATOM 467 CG MET A 32 -2.576 10.571 3.649 1.00 0.00 C ATOM 468 SD MET A 32 -1.711 11.964 2.942 1.00 0.00 S ATOM 469 CE MET A 32 -0.053 11.618 3.506 1.00 0.00 C ATOM 0 H MET A 32 -5.325 9.637 2.953 1.00 0.00 H new ATOM 0 HA MET A 32 -3.671 11.212 1.399 1.00 0.00 H new ATOM 0 HB2 MET A 32 -3.354 8.664 3.005 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.994 9.235 2.058 1.00 0.00 H new ATOM 0 HG2 MET A 32 -3.491 10.909 4.135 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.961 10.103 4.418 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.521 12.544 3.539 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.092 11.180 4.503 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.426 10.918 2.821 1.00 0.00 H new ATOM 479 N ILE A 33 -3.879 8.141 0.196 1.00 0.00 N ATOM 480 CA ILE A 33 -3.729 7.348 -1.013 1.00 0.00 C ATOM 481 C ILE A 33 -4.469 8.036 -2.163 1.00 0.00 C ATOM 482 O ILE A 33 -4.002 8.023 -3.301 1.00 0.00 O ATOM 483 CB ILE A 33 -4.179 5.907 -0.767 1.00 0.00 C ATOM 484 CG1 ILE A 33 -3.293 5.227 0.279 1.00 0.00 C ATOM 485 CG2 ILE A 33 -4.229 5.117 -2.077 1.00 0.00 C ATOM 486 CD1 ILE A 33 -3.954 3.954 0.813 1.00 0.00 C ATOM 0 H ILE A 33 -4.142 7.609 1.025 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.679 7.285 -1.301 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.192 5.929 -0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.327 4.982 -0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.103 5.915 1.103 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.552 4.096 -1.874 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.933 5.591 -2.761 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.238 5.101 -2.530 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.304 3.490 1.555 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.909 4.206 1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.121 3.258 -0.009 1.00 0.00 H new ATOM 498 N GLU A 34 -5.609 8.619 -1.825 1.00 0.00 N ATOM 499 CA GLU A 34 -6.418 9.311 -2.815 1.00 0.00 C ATOM 500 C GLU A 34 -5.808 10.676 -3.139 1.00 0.00 C ATOM 501 O GLU A 34 -5.956 11.178 -4.252 1.00 0.00 O ATOM 502 CB GLU A 34 -7.864 9.455 -2.338 1.00 0.00 C ATOM 503 CG GLU A 34 -8.672 8.192 -2.646 1.00 0.00 C ATOM 504 CD GLU A 34 -10.034 8.546 -3.247 1.00 0.00 C ATOM 505 OE1 GLU A 34 -10.035 9.291 -4.251 1.00 0.00 O ATOM 506 OE2 GLU A 34 -11.043 8.062 -2.690 1.00 0.00 O ATOM 0 H GLU A 34 -5.992 8.627 -0.880 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.429 8.715 -3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.879 9.648 -1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.327 10.314 -2.823 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.117 7.561 -3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.813 7.614 -1.733 1.00 0.00 H new ATOM 513 N LYS A 35 -5.137 11.239 -2.145 1.00 0.00 N ATOM 514 CA LYS A 35 -4.504 12.537 -2.310 1.00 0.00 C ATOM 515 C LYS A 35 -3.214 12.372 -3.115 1.00 0.00 C ATOM 516 O LYS A 35 -2.925 13.174 -4.001 1.00 0.00 O ATOM 517 CB LYS A 35 -4.299 13.209 -0.951 1.00 0.00 C ATOM 518 CG LYS A 35 -3.202 14.273 -1.025 1.00 0.00 C ATOM 519 CD LYS A 35 -1.923 13.791 -0.338 1.00 0.00 C ATOM 520 CE LYS A 35 -0.836 14.866 -0.386 1.00 0.00 C ATOM 521 NZ LYS A 35 -1.074 15.891 0.655 1.00 0.00 N ATOM 0 H LYS A 35 -5.018 10.820 -1.223 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.150 13.207 -2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.232 13.666 -0.623 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.033 12.458 -0.207 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.991 14.511 -2.068 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.549 15.192 -0.552 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.138 13.533 0.699 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.564 12.884 -0.825 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.142 14.409 -0.238 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.823 15.335 -1.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.327 16.613 0.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.999 16.339 0.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.063 15.442 1.593 1.00 0.00 H new ATOM 535 N LEU A 36 -2.473 11.326 -2.778 1.00 0.00 N ATOM 536 CA LEU A 36 -1.220 11.046 -3.459 1.00 0.00 C ATOM 537 C LEU A 36 -1.495 10.810 -4.946 1.00 0.00 C ATOM 538 O LEU A 36 -0.577 10.847 -5.763 1.00 0.00 O ATOM 539 CB LEU A 36 -0.487 9.889 -2.778 1.00 0.00 C ATOM 540 CG LEU A 36 0.253 10.233 -1.483 1.00 0.00 C ATOM 541 CD1 LEU A 36 0.949 11.591 -1.594 1.00 0.00 C ATOM 542 CD2 LEU A 36 -0.689 10.168 -0.279 1.00 0.00 C ATOM 0 H LEU A 36 -2.716 10.662 -2.043 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.549 11.902 -3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.211 9.103 -2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.232 9.474 -3.485 1.00 0.00 H new ATOM 0 HG LEU A 36 1.030 9.485 -1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.467 11.812 -0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.669 11.565 -2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.207 12.365 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.138 10.417 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.503 10.880 -0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.098 9.161 -0.191 1.00 0.00 H new ATOM 554 N GLY A 37 -2.762 10.573 -5.250 1.00 0.00 N ATOM 555 CA GLY A 37 -3.169 10.331 -6.624 1.00 0.00 C ATOM 556 C GLY A 37 -3.636 8.886 -6.811 1.00 0.00 C ATOM 557 O GLY A 37 -4.161 8.532 -7.866 1.00 0.00 O ATOM 0 H GLY A 37 -3.521 10.543 -4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.974 11.015 -6.895 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.336 10.537 -7.296 1.00 0.00 H new ATOM 561 N GLY A 38 -3.427 8.091 -5.772 1.00 0.00 N ATOM 562 CA GLY A 38 -3.820 6.693 -5.809 1.00 0.00 C ATOM 563 C GLY A 38 -5.282 6.523 -5.390 1.00 0.00 C ATOM 564 O GLY A 38 -6.069 7.463 -5.478 1.00 0.00 O ATOM 0 H GLY A 38 -2.991 8.389 -4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.678 6.298 -6.815 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.178 6.113 -5.146 1.00 0.00 H new ATOM 568 N LYS A 39 -5.600 5.316 -4.945 1.00 0.00 N ATOM 569 CA LYS A 39 -6.953 5.011 -4.512 1.00 0.00 C ATOM 570 C LYS A 39 -6.936 3.745 -3.654 1.00 0.00 C ATOM 571 O LYS A 39 -6.324 2.745 -4.028 1.00 0.00 O ATOM 572 CB LYS A 39 -7.893 4.925 -5.716 1.00 0.00 C ATOM 573 CG LYS A 39 -8.375 6.316 -6.136 1.00 0.00 C ATOM 574 CD LYS A 39 -9.808 6.263 -6.667 1.00 0.00 C ATOM 575 CE LYS A 39 -9.894 6.860 -8.073 1.00 0.00 C ATOM 576 NZ LYS A 39 -11.191 6.522 -8.701 1.00 0.00 N ATOM 0 H LYS A 39 -4.944 4.538 -4.875 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.344 5.814 -3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.379 4.447 -6.550 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.750 4.298 -5.469 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.324 6.995 -5.285 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.714 6.717 -6.904 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.155 5.230 -6.685 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.469 6.810 -5.995 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.779 7.943 -8.022 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.076 6.481 -8.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.233 6.935 -9.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.286 5.488 -8.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.967 6.905 -8.124 1.00 0.00 H new ATOM 590 N LEU A 40 -7.615 3.828 -2.519 1.00 0.00 N ATOM 591 CA LEU A 40 -7.685 2.701 -1.605 1.00 0.00 C ATOM 592 C LEU A 40 -8.629 1.642 -2.179 1.00 0.00 C ATOM 593 O LEU A 40 -9.731 1.962 -2.621 1.00 0.00 O ATOM 594 CB LEU A 40 -8.072 3.173 -0.202 1.00 0.00 C ATOM 595 CG LEU A 40 -7.845 2.169 0.930 1.00 0.00 C ATOM 596 CD1 LEU A 40 -6.794 2.682 1.916 1.00 0.00 C ATOM 597 CD2 LEU A 40 -9.163 1.820 1.626 1.00 0.00 C ATOM 0 H LEU A 40 -8.121 4.658 -2.212 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.706 2.233 -1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.508 4.078 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.127 3.448 -0.211 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.456 1.248 0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.652 1.949 2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.850 2.838 1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.130 3.625 2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.974 1.105 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.604 2.725 2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.851 1.382 0.903 1.00 0.00 H new ATOM 609 N THR A 41 -8.160 0.403 -2.155 1.00 0.00 N ATOM 610 CA THR A 41 -8.948 -0.705 -2.668 1.00 0.00 C ATOM 611 C THR A 41 -9.139 -1.769 -1.586 1.00 0.00 C ATOM 612 O THR A 41 -8.473 -1.736 -0.553 1.00 0.00 O ATOM 613 CB THR A 41 -8.256 -1.235 -3.926 1.00 0.00 C ATOM 614 OG1 THR A 41 -9.045 -2.358 -4.309 1.00 0.00 O ATOM 615 CG2 THR A 41 -6.878 -1.830 -3.630 1.00 0.00 C ATOM 0 H THR A 41 -7.245 0.142 -1.788 1.00 0.00 H new ATOM 0 HA THR A 41 -9.952 -0.382 -2.943 1.00 0.00 H new ATOM 0 HB THR A 41 -8.154 -0.428 -4.651 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.668 -2.762 -5.118 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.431 -2.191 -4.556 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.237 -1.064 -3.192 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.982 -2.659 -2.930 1.00 0.00 H new ATOM 623 N GLY A 42 -10.053 -2.689 -1.860 1.00 0.00 N ATOM 624 CA GLY A 42 -10.341 -3.761 -0.923 1.00 0.00 C ATOM 625 C GLY A 42 -9.573 -5.032 -1.291 1.00 0.00 C ATOM 626 O GLY A 42 -8.996 -5.686 -0.424 1.00 0.00 O ATOM 0 H GLY A 42 -10.604 -2.714 -2.718 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.072 -3.449 0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.411 -3.967 -0.918 1.00 0.00 H new ATOM 630 N THR A 43 -9.592 -5.344 -2.579 1.00 0.00 N ATOM 631 CA THR A 43 -8.905 -6.525 -3.073 1.00 0.00 C ATOM 632 C THR A 43 -7.400 -6.264 -3.172 1.00 0.00 C ATOM 633 O THR A 43 -6.977 -5.137 -3.422 1.00 0.00 O ATOM 634 CB THR A 43 -9.542 -6.919 -4.407 1.00 0.00 C ATOM 635 OG1 THR A 43 -10.885 -7.253 -4.065 1.00 0.00 O ATOM 636 CG2 THR A 43 -8.966 -8.221 -4.969 1.00 0.00 C ATOM 0 H THR A 43 -10.072 -4.799 -3.295 1.00 0.00 H new ATOM 0 HA THR A 43 -9.014 -7.363 -2.384 1.00 0.00 H new ATOM 0 HB THR A 43 -9.397 -6.116 -5.130 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.372 -7.519 -4.873 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.452 -8.455 -5.916 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.894 -8.105 -5.130 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.141 -9.031 -4.261 1.00 0.00 H new ATOM 644 N ALA A 44 -6.634 -7.326 -2.971 1.00 0.00 N ATOM 645 CA ALA A 44 -5.185 -7.226 -3.035 1.00 0.00 C ATOM 646 C ALA A 44 -4.722 -7.499 -4.467 1.00 0.00 C ATOM 647 O ALA A 44 -3.798 -6.853 -4.959 1.00 0.00 O ATOM 648 CB ALA A 44 -4.562 -8.193 -2.026 1.00 0.00 C ATOM 0 H ALA A 44 -6.989 -8.260 -2.764 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.857 -6.221 -2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.476 -8.118 -2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.900 -7.938 -1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.866 -9.212 -2.263 1.00 0.00 H new ATOM 654 N ASN A 45 -5.385 -8.458 -5.097 1.00 0.00 N ATOM 655 CA ASN A 45 -5.053 -8.825 -6.464 1.00 0.00 C ATOM 656 C ASN A 45 -5.382 -7.656 -7.395 1.00 0.00 C ATOM 657 O ASN A 45 -4.892 -7.599 -8.522 1.00 0.00 O ATOM 658 CB ASN A 45 -5.866 -10.037 -6.922 1.00 0.00 C ATOM 659 CG ASN A 45 -4.951 -11.216 -7.257 1.00 0.00 C ATOM 660 OD1 ASN A 45 -3.766 -11.065 -7.505 1.00 0.00 O ATOM 661 ND2 ASN A 45 -5.564 -12.396 -7.250 1.00 0.00 N ATOM 0 H ASN A 45 -6.151 -8.992 -4.686 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.991 -9.069 -6.499 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.566 -10.327 -6.139 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.459 -9.772 -7.797 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.039 -13.245 -7.461 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.559 -12.452 -7.034 1.00 0.00 H new ATOM 668 N LYS A 46 -6.209 -6.753 -6.889 1.00 0.00 N ATOM 669 CA LYS A 46 -6.609 -5.589 -7.662 1.00 0.00 C ATOM 670 C LYS A 46 -6.008 -4.332 -7.030 1.00 0.00 C ATOM 671 O LYS A 46 -6.663 -3.292 -6.964 1.00 0.00 O ATOM 672 CB LYS A 46 -8.131 -5.538 -7.805 1.00 0.00 C ATOM 673 CG LYS A 46 -8.655 -6.778 -8.533 1.00 0.00 C ATOM 674 CD LYS A 46 -9.450 -6.386 -9.780 1.00 0.00 C ATOM 675 CE LYS A 46 -9.950 -7.627 -10.523 1.00 0.00 C ATOM 676 NZ LYS A 46 -11.360 -7.450 -10.937 1.00 0.00 N ATOM 0 H LYS A 46 -6.613 -6.804 -5.954 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.219 -5.654 -8.678 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.590 -5.469 -6.819 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.419 -4.641 -8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.819 -7.418 -8.816 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.288 -7.358 -7.861 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.297 -5.762 -9.495 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.823 -5.789 -10.442 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.328 -7.809 -11.399 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.861 -8.503 -9.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.684 -8.301 -11.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.952 -7.299 -10.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.436 -6.626 -11.567 1.00 0.00 H new ATOM 690 N ALA A 47 -4.769 -4.468 -6.581 1.00 0.00 N ATOM 691 CA ALA A 47 -4.073 -3.356 -5.956 1.00 0.00 C ATOM 692 C ALA A 47 -2.646 -3.280 -6.505 1.00 0.00 C ATOM 693 O ALA A 47 -2.125 -4.264 -7.027 1.00 0.00 O ATOM 694 CB ALA A 47 -4.104 -3.523 -4.436 1.00 0.00 C ATOM 0 H ALA A 47 -4.229 -5.331 -6.638 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.568 -2.413 -6.190 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.582 -2.689 -3.968 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.138 -3.542 -4.093 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.614 -4.457 -4.163 1.00 0.00 H new ATOM 700 N SER A 48 -2.056 -2.102 -6.368 1.00 0.00 N ATOM 701 CA SER A 48 -0.700 -1.885 -6.844 1.00 0.00 C ATOM 702 C SER A 48 0.267 -1.827 -5.659 1.00 0.00 C ATOM 703 O SER A 48 1.441 -2.167 -5.795 1.00 0.00 O ATOM 704 CB SER A 48 -0.605 -0.600 -7.670 1.00 0.00 C ATOM 705 OG SER A 48 -1.469 -0.629 -8.802 1.00 0.00 O ATOM 0 H SER A 48 -2.492 -1.288 -5.934 1.00 0.00 H new ATOM 0 HA SER A 48 -0.426 -2.720 -7.489 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.858 0.254 -7.042 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.423 -0.458 -8.002 1.00 0.00 H new ATOM 0 HG SER A 48 -1.381 0.209 -9.302 1.00 0.00 H new ATOM 711 N LEU A 49 -0.263 -1.394 -4.525 1.00 0.00 N ATOM 712 CA LEU A 49 0.539 -1.287 -3.317 1.00 0.00 C ATOM 713 C LEU A 49 -0.215 -1.931 -2.152 1.00 0.00 C ATOM 714 O LEU A 49 -1.431 -2.102 -2.213 1.00 0.00 O ATOM 715 CB LEU A 49 0.935 0.169 -3.064 1.00 0.00 C ATOM 716 CG LEU A 49 2.302 0.388 -2.415 1.00 0.00 C ATOM 717 CD1 LEU A 49 3.379 -0.450 -3.107 1.00 0.00 C ATOM 718 CD2 LEU A 49 2.664 1.875 -2.386 1.00 0.00 C ATOM 0 H LEU A 49 -1.238 -1.113 -4.416 1.00 0.00 H new ATOM 0 HA LEU A 49 1.476 -1.832 -3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.917 0.700 -4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.176 0.626 -2.429 1.00 0.00 H new ATOM 0 HG LEU A 49 2.246 0.050 -1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.341 -0.275 -2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.122 -1.507 -3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.442 -0.166 -4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.641 2.003 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.695 2.262 -3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.914 2.421 -1.813 1.00 0.00 H new ATOM 730 N CYS A 50 0.540 -2.271 -1.117 1.00 0.00 N ATOM 731 CA CYS A 50 -0.042 -2.893 0.061 1.00 0.00 C ATOM 732 C CYS A 50 0.544 -2.214 1.301 1.00 0.00 C ATOM 733 O CYS A 50 1.755 -2.240 1.513 1.00 0.00 O ATOM 734 CB CYS A 50 0.190 -4.405 0.075 1.00 0.00 C ATOM 735 SG CYS A 50 -0.687 -5.159 1.493 1.00 0.00 S ATOM 0 H CYS A 50 1.549 -2.128 -1.070 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.124 -2.758 0.051 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.164 -4.844 -0.858 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.257 -4.617 0.142 1.00 0.00 H new ATOM 0 HG CYS A 50 0.058 -6.084 2.022 1.00 0.00 H new ATOM 741 N ILE A 51 -0.343 -1.622 2.087 1.00 0.00 N ATOM 742 CA ILE A 51 0.071 -0.938 3.300 1.00 0.00 C ATOM 743 C ILE A 51 -0.390 -1.743 4.517 1.00 0.00 C ATOM 744 O ILE A 51 -1.530 -1.610 4.958 1.00 0.00 O ATOM 745 CB ILE A 51 -0.428 0.509 3.295 1.00 0.00 C ATOM 746 CG1 ILE A 51 0.205 1.303 2.151 1.00 0.00 C ATOM 747 CG2 ILE A 51 -0.193 1.174 4.653 1.00 0.00 C ATOM 748 CD1 ILE A 51 -0.212 2.774 2.208 1.00 0.00 C ATOM 0 H ILE A 51 -1.347 -1.602 1.907 1.00 0.00 H new ATOM 0 HA ILE A 51 1.158 -0.877 3.351 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.504 0.499 3.123 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.291 1.227 2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.095 0.873 1.195 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.556 2.201 4.623 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.728 0.622 5.426 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.873 1.173 4.879 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.252 3.316 1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.296 2.848 2.126 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.111 3.207 3.155 1.00 0.00 H new ATOM 760 N SER A 52 0.521 -2.560 5.025 1.00 0.00 N ATOM 761 CA SER A 52 0.223 -3.386 6.182 1.00 0.00 C ATOM 762 C SER A 52 1.324 -3.231 7.233 1.00 0.00 C ATOM 763 O SER A 52 2.203 -2.382 7.096 1.00 0.00 O ATOM 764 CB SER A 52 0.071 -4.856 5.785 1.00 0.00 C ATOM 765 OG SER A 52 -0.747 -5.575 6.704 1.00 0.00 O ATOM 0 H SER A 52 1.466 -2.667 4.656 1.00 0.00 H new ATOM 0 HA SER A 52 -0.724 -3.052 6.606 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.363 -4.919 4.787 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.055 -5.322 5.735 1.00 0.00 H new ATOM 0 HG SER A 52 -1.274 -4.943 7.236 1.00 0.00 H new ATOM 771 N THR A 53 1.240 -4.065 8.260 1.00 0.00 N ATOM 772 CA THR A 53 2.218 -4.031 9.333 1.00 0.00 C ATOM 773 C THR A 53 3.085 -5.292 9.305 1.00 0.00 C ATOM 774 O THR A 53 2.671 -6.322 8.776 1.00 0.00 O ATOM 775 CB THR A 53 1.466 -3.841 10.652 1.00 0.00 C ATOM 776 OG1 THR A 53 0.497 -4.886 10.653 1.00 0.00 O ATOM 777 CG2 THR A 53 0.632 -2.559 10.671 1.00 0.00 C ATOM 0 H THR A 53 0.509 -4.768 8.371 1.00 0.00 H new ATOM 0 HA THR A 53 2.909 -3.196 9.212 1.00 0.00 H new ATOM 0 HB THR A 53 2.179 -3.822 11.477 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.035 -4.838 11.475 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.119 -2.473 11.629 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.285 -1.698 10.530 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.104 -2.592 9.867 1.00 0.00 H new ATOM 785 N LYS A 54 4.272 -5.168 9.880 1.00 0.00 N ATOM 786 CA LYS A 54 5.201 -6.284 9.927 1.00 0.00 C ATOM 787 C LYS A 54 4.461 -7.538 10.398 1.00 0.00 C ATOM 788 O LYS A 54 4.462 -8.558 9.711 1.00 0.00 O ATOM 789 CB LYS A 54 6.419 -5.932 10.783 1.00 0.00 C ATOM 790 CG LYS A 54 7.319 -7.153 10.985 1.00 0.00 C ATOM 791 CD LYS A 54 8.745 -6.868 10.509 1.00 0.00 C ATOM 792 CE LYS A 54 8.926 -7.274 9.046 1.00 0.00 C ATOM 793 NZ LYS A 54 10.277 -6.904 8.568 1.00 0.00 N ATOM 0 H LYS A 54 4.612 -4.311 10.317 1.00 0.00 H new ATOM 0 HA LYS A 54 5.591 -6.497 8.932 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.986 -5.133 10.304 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.091 -5.554 11.751 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.332 -7.429 12.039 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.912 -8.003 10.438 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.966 -5.807 10.626 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.455 -7.412 11.132 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.778 -8.349 8.940 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.170 -6.786 8.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.383 -7.187 7.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.405 -5.875 8.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.994 -7.390 9.144 1.00 0.00 H new ATOM 807 N LYS A 55 3.847 -7.421 11.566 1.00 0.00 N ATOM 808 CA LYS A 55 3.105 -8.532 12.136 1.00 0.00 C ATOM 809 C LYS A 55 2.251 -9.183 11.046 1.00 0.00 C ATOM 810 O LYS A 55 2.295 -10.398 10.860 1.00 0.00 O ATOM 811 CB LYS A 55 2.301 -8.071 13.354 1.00 0.00 C ATOM 812 CG LYS A 55 3.069 -8.336 14.650 1.00 0.00 C ATOM 813 CD LYS A 55 2.262 -7.882 15.868 1.00 0.00 C ATOM 814 CE LYS A 55 3.187 -7.450 17.008 1.00 0.00 C ATOM 815 NZ LYS A 55 2.785 -8.101 18.276 1.00 0.00 N ATOM 0 H LYS A 55 3.848 -6.573 12.133 1.00 0.00 H new ATOM 0 HA LYS A 55 3.789 -9.297 12.505 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.082 -7.007 13.268 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.344 -8.592 13.381 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.293 -9.400 14.733 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.024 -7.810 14.625 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.611 -7.053 15.589 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.618 -8.694 16.205 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.217 -7.713 16.768 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.153 -6.366 17.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.423 -7.797 19.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.809 -7.830 18.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.841 -9.134 18.169 1.00 0.00 H new ATOM 829 N GLU A 56 1.494 -8.345 10.353 1.00 0.00 N ATOM 830 CA GLU A 56 0.631 -8.823 9.287 1.00 0.00 C ATOM 831 C GLU A 56 1.432 -9.671 8.296 1.00 0.00 C ATOM 832 O GLU A 56 1.175 -10.864 8.145 1.00 0.00 O ATOM 833 CB GLU A 56 -0.060 -7.658 8.577 1.00 0.00 C ATOM 834 CG GLU A 56 -1.582 -7.805 8.636 1.00 0.00 C ATOM 835 CD GLU A 56 -2.061 -7.976 10.079 1.00 0.00 C ATOM 836 OE1 GLU A 56 -2.202 -6.935 10.757 1.00 0.00 O ATOM 837 OE2 GLU A 56 -2.275 -9.143 10.471 1.00 0.00 O ATOM 0 H GLU A 56 1.461 -7.338 10.509 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.145 -9.449 9.727 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.236 -6.717 9.041 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.265 -7.617 7.537 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.053 -6.927 8.194 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.891 -8.665 8.042 1.00 0.00 H new ATOM 844 N VAL A 57 2.387 -9.021 7.647 1.00 0.00 N ATOM 845 CA VAL A 57 3.227 -9.700 6.675 1.00 0.00 C ATOM 846 C VAL A 57 3.704 -11.031 7.261 1.00 0.00 C ATOM 847 O VAL A 57 3.980 -11.975 6.523 1.00 0.00 O ATOM 848 CB VAL A 57 4.379 -8.787 6.250 1.00 0.00 C ATOM 849 CG1 VAL A 57 5.252 -9.463 5.191 1.00 0.00 C ATOM 850 CG2 VAL A 57 3.855 -7.440 5.751 1.00 0.00 C ATOM 0 H VAL A 57 2.598 -8.031 7.775 1.00 0.00 H new ATOM 0 HA VAL A 57 2.660 -9.927 5.772 1.00 0.00 H new ATOM 0 HB VAL A 57 5.000 -8.601 7.126 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.063 -8.793 4.906 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.668 -10.385 5.597 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.647 -9.694 4.314 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.694 -6.810 5.455 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.201 -7.599 4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.296 -6.949 6.548 1.00 0.00 H new ATOM 860 N GLU A 58 3.785 -11.063 8.583 1.00 0.00 N ATOM 861 CA GLU A 58 4.224 -12.262 9.277 1.00 0.00 C ATOM 862 C GLU A 58 3.074 -13.267 9.380 1.00 0.00 C ATOM 863 O GLU A 58 3.286 -14.473 9.266 1.00 0.00 O ATOM 864 CB GLU A 58 4.780 -11.923 10.661 1.00 0.00 C ATOM 865 CG GLU A 58 6.310 -11.965 10.662 1.00 0.00 C ATOM 866 CD GLU A 58 6.858 -11.925 12.090 1.00 0.00 C ATOM 867 OE1 GLU A 58 6.396 -11.048 12.851 1.00 0.00 O ATOM 868 OE2 GLU A 58 7.727 -12.773 12.388 1.00 0.00 O ATOM 0 H GLU A 58 3.554 -10.278 9.192 1.00 0.00 H new ATOM 0 HA GLU A 58 5.029 -12.717 8.700 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.440 -10.932 10.961 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.393 -12.629 11.396 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.653 -12.871 10.162 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.701 -11.120 10.095 1.00 0.00 H new ATOM 875 N LYS A 59 1.881 -12.732 9.594 1.00 0.00 N ATOM 876 CA LYS A 59 0.697 -13.566 9.714 1.00 0.00 C ATOM 877 C LYS A 59 0.555 -14.425 8.456 1.00 0.00 C ATOM 878 O LYS A 59 0.419 -15.644 8.545 1.00 0.00 O ATOM 879 CB LYS A 59 -0.534 -12.709 10.016 1.00 0.00 C ATOM 880 CG LYS A 59 -0.856 -12.719 11.512 1.00 0.00 C ATOM 881 CD LYS A 59 -0.362 -11.439 12.188 1.00 0.00 C ATOM 882 CE LYS A 59 0.528 -11.761 13.390 1.00 0.00 C ATOM 883 NZ LYS A 59 1.936 -11.406 13.102 1.00 0.00 N ATOM 0 H LYS A 59 1.709 -11.731 9.687 1.00 0.00 H new ATOM 0 HA LYS A 59 0.796 -14.249 10.558 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.359 -11.685 9.685 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.389 -13.084 9.454 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.932 -12.818 11.655 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.391 -13.585 11.982 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.194 -10.836 11.470 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.215 -10.842 12.512 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.180 -11.212 14.265 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.456 -12.822 13.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.557 -12.191 13.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.047 -11.225 12.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.195 -10.552 13.636 1.00 0.00 H new ATOM 897 N MET A 60 0.591 -13.755 7.314 1.00 0.00 N ATOM 898 CA MET A 60 0.467 -14.442 6.039 1.00 0.00 C ATOM 899 C MET A 60 -0.884 -15.152 5.927 1.00 0.00 C ATOM 900 O MET A 60 -0.953 -16.295 5.479 1.00 0.00 O ATOM 901 CB MET A 60 1.595 -15.467 5.900 1.00 0.00 C ATOM 902 CG MET A 60 2.884 -14.800 5.415 1.00 0.00 C ATOM 903 SD MET A 60 2.919 -14.765 3.630 1.00 0.00 S ATOM 904 CE MET A 60 2.315 -13.110 3.341 1.00 0.00 C ATOM 0 H MET A 60 0.704 -12.744 7.244 1.00 0.00 H new ATOM 0 HA MET A 60 0.535 -13.702 5.241 1.00 0.00 H new ATOM 0 HB2 MET A 60 1.771 -15.952 6.860 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.298 -16.247 5.199 1.00 0.00 H new ATOM 0 HG2 MET A 60 2.948 -13.785 5.808 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.749 -15.344 5.793 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.658 -12.762 2.367 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.225 -13.111 3.362 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.692 -12.444 4.117 1.00 0.00 H new ATOM 914 N ASN A 61 -1.924 -14.444 6.342 1.00 0.00 N ATOM 915 CA ASN A 61 -3.269 -14.992 6.294 1.00 0.00 C ATOM 916 C ASN A 61 -3.804 -14.895 4.864 1.00 0.00 C ATOM 917 O ASN A 61 -3.071 -14.526 3.947 1.00 0.00 O ATOM 918 CB ASN A 61 -4.215 -14.210 7.207 1.00 0.00 C ATOM 919 CG ASN A 61 -5.321 -15.114 7.756 1.00 0.00 C ATOM 920 OD1 ASN A 61 -6.493 -14.955 7.458 1.00 0.00 O ATOM 921 ND2 ASN A 61 -4.883 -16.070 8.571 1.00 0.00 N ATOM 0 H ASN A 61 -1.863 -13.496 6.713 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.223 -16.029 6.626 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.652 -13.776 8.033 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -4.658 -13.382 6.654 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -5.543 -16.726 8.988 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -3.887 -16.147 8.778 1.00 0.00 H new ATOM 928 N LYS A 62 -5.077 -15.232 4.718 1.00 0.00 N ATOM 929 CA LYS A 62 -5.718 -15.188 3.415 1.00 0.00 C ATOM 930 C LYS A 62 -5.526 -13.799 2.804 1.00 0.00 C ATOM 931 O LYS A 62 -5.083 -13.674 1.663 1.00 0.00 O ATOM 932 CB LYS A 62 -7.183 -15.614 3.525 1.00 0.00 C ATOM 933 CG LYS A 62 -7.562 -16.570 2.392 1.00 0.00 C ATOM 934 CD LYS A 62 -7.928 -17.951 2.939 1.00 0.00 C ATOM 935 CE LYS A 62 -9.436 -18.196 2.847 1.00 0.00 C ATOM 936 NZ LYS A 62 -10.135 -17.557 3.984 1.00 0.00 N ATOM 0 H LYS A 62 -5.682 -15.537 5.481 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.252 -15.902 2.736 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.354 -16.098 4.487 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.825 -14.734 3.493 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.404 -16.162 1.833 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.730 -16.660 1.694 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.396 -18.720 2.379 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.606 -18.032 3.977 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.818 -17.798 1.907 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.637 -19.267 2.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.157 -17.733 3.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.782 -17.956 4.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.958 -16.532 3.969 1.00 0.00 H new ATOM 950 N LYS A 63 -5.868 -12.789 3.590 1.00 0.00 N ATOM 951 CA LYS A 63 -5.739 -11.413 3.141 1.00 0.00 C ATOM 952 C LYS A 63 -4.305 -11.169 2.667 1.00 0.00 C ATOM 953 O LYS A 63 -4.081 -10.825 1.507 1.00 0.00 O ATOM 954 CB LYS A 63 -6.198 -10.447 4.235 1.00 0.00 C ATOM 955 CG LYS A 63 -7.718 -10.493 4.405 1.00 0.00 C ATOM 956 CD LYS A 63 -8.100 -11.121 5.746 1.00 0.00 C ATOM 957 CE LYS A 63 -8.519 -10.048 6.754 1.00 0.00 C ATOM 958 NZ LYS A 63 -7.407 -9.747 7.683 1.00 0.00 N ATOM 0 H LYS A 63 -6.235 -12.896 4.536 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.393 -11.227 2.289 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.715 -10.704 5.178 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.887 -9.433 3.984 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.125 -9.484 4.343 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.161 -11.067 3.591 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.917 -11.828 5.601 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.256 -11.686 6.141 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.816 -9.141 6.227 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.388 -10.389 7.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.423 -8.736 7.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.514 -10.314 8.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.501 -9.979 7.227 1.00 0.00 H new ATOM 972 N MET A 64 -3.371 -11.356 3.588 1.00 0.00 N ATOM 973 CA MET A 64 -1.965 -11.160 3.278 1.00 0.00 C ATOM 974 C MET A 64 -1.535 -12.037 2.101 1.00 0.00 C ATOM 975 O MET A 64 -0.691 -11.639 1.300 1.00 0.00 O ATOM 976 CB MET A 64 -1.119 -11.503 4.506 1.00 0.00 C ATOM 977 CG MET A 64 0.201 -10.729 4.497 1.00 0.00 C ATOM 978 SD MET A 64 0.119 -9.369 5.649 1.00 0.00 S ATOM 979 CE MET A 64 0.056 -7.998 4.507 1.00 0.00 C ATOM 0 H MET A 64 -3.560 -11.641 4.549 1.00 0.00 H new ATOM 0 HA MET A 64 -1.815 -10.116 3.002 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.676 -11.268 5.413 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.917 -12.574 4.525 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.023 -11.393 4.764 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.406 -10.355 3.494 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.699 -7.285 4.836 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.029 -7.507 4.474 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.200 -8.364 3.513 1.00 0.00 H new ATOM 989 N GLU A 65 -2.136 -13.216 2.032 1.00 0.00 N ATOM 990 CA GLU A 65 -1.826 -14.154 0.966 1.00 0.00 C ATOM 991 C GLU A 65 -2.089 -13.512 -0.398 1.00 0.00 C ATOM 992 O GLU A 65 -1.234 -13.550 -1.281 1.00 0.00 O ATOM 993 CB GLU A 65 -2.625 -15.449 1.126 1.00 0.00 C ATOM 994 CG GLU A 65 -1.792 -16.524 1.827 1.00 0.00 C ATOM 995 CD GLU A 65 -1.190 -17.499 0.813 1.00 0.00 C ATOM 996 OE1 GLU A 65 -1.968 -18.325 0.288 1.00 0.00 O ATOM 997 OE2 GLU A 65 0.035 -17.396 0.585 1.00 0.00 O ATOM 0 H GLU A 65 -2.836 -13.543 2.697 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.768 -14.409 1.028 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.530 -15.253 1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.940 -15.809 0.147 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.995 -16.054 2.402 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.417 -17.069 2.535 1.00 0.00 H new ATOM 1004 N GLU A 66 -3.275 -12.936 -0.526 1.00 0.00 N ATOM 1005 CA GLU A 66 -3.661 -12.287 -1.768 1.00 0.00 C ATOM 1006 C GLU A 66 -2.551 -11.348 -2.243 1.00 0.00 C ATOM 1007 O GLU A 66 -2.303 -11.231 -3.442 1.00 0.00 O ATOM 1008 CB GLU A 66 -4.983 -11.534 -1.605 1.00 0.00 C ATOM 1009 CG GLU A 66 -6.094 -12.473 -1.128 1.00 0.00 C ATOM 1010 CD GLU A 66 -6.971 -12.923 -2.298 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -7.638 -12.040 -2.880 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -6.955 -14.140 -2.585 1.00 0.00 O ATOM 0 H GLU A 66 -3.981 -12.905 0.209 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.809 -13.056 -2.526 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.857 -10.721 -0.890 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.267 -11.081 -2.555 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.655 -13.344 -0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.707 -11.967 -0.382 1.00 0.00 H new ATOM 1019 N VAL A 67 -1.911 -10.703 -1.278 1.00 0.00 N ATOM 1020 CA VAL A 67 -0.833 -9.778 -1.583 1.00 0.00 C ATOM 1021 C VAL A 67 0.392 -10.567 -2.051 1.00 0.00 C ATOM 1022 O VAL A 67 0.986 -10.244 -3.079 1.00 0.00 O ATOM 1023 CB VAL A 67 -0.546 -8.891 -0.370 1.00 0.00 C ATOM 1024 CG1 VAL A 67 0.466 -7.798 -0.718 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -1.837 -8.287 0.185 1.00 0.00 C ATOM 0 H VAL A 67 -2.119 -10.803 -0.284 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.120 -9.111 -2.396 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.108 -9.517 0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.652 -7.181 0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.399 -8.257 -1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.068 -7.176 -1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.605 -7.661 1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.316 -7.682 -0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.512 -9.087 0.489 1.00 0.00 H new ATOM 1035 N LYS A 68 0.733 -11.584 -1.275 1.00 0.00 N ATOM 1036 CA LYS A 68 1.877 -12.421 -1.597 1.00 0.00 C ATOM 1037 C LYS A 68 1.653 -13.080 -2.959 1.00 0.00 C ATOM 1038 O LYS A 68 2.599 -13.277 -3.720 1.00 0.00 O ATOM 1039 CB LYS A 68 2.146 -13.418 -0.468 1.00 0.00 C ATOM 1040 CG LYS A 68 3.374 -14.277 -0.777 1.00 0.00 C ATOM 1041 CD LYS A 68 4.069 -14.723 0.512 1.00 0.00 C ATOM 1042 CE LYS A 68 5.499 -15.188 0.230 1.00 0.00 C ATOM 1043 NZ LYS A 68 5.493 -16.370 -0.661 1.00 0.00 N ATOM 0 H LYS A 68 0.238 -11.848 -0.423 1.00 0.00 H new ATOM 0 HA LYS A 68 2.780 -11.817 -1.679 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.300 -12.881 0.468 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.275 -14.059 -0.328 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.075 -15.152 -1.354 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.072 -13.711 -1.394 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.085 -13.899 1.225 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.504 -15.533 0.973 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.066 -14.380 -0.232 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.999 -15.434 1.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.459 -16.745 -0.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.872 -17.103 -0.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.143 -16.094 -1.601 1.00 0.00 H new ATOM 1057 N GLU A 69 0.396 -13.403 -3.226 1.00 0.00 N ATOM 1058 CA GLU A 69 0.037 -14.036 -4.483 1.00 0.00 C ATOM 1059 C GLU A 69 0.292 -13.081 -5.650 1.00 0.00 C ATOM 1060 O GLU A 69 0.850 -13.478 -6.672 1.00 0.00 O ATOM 1061 CB GLU A 69 -1.421 -14.502 -4.465 1.00 0.00 C ATOM 1062 CG GLU A 69 -1.654 -15.529 -3.355 1.00 0.00 C ATOM 1063 CD GLU A 69 -2.423 -16.742 -3.883 1.00 0.00 C ATOM 1064 OE1 GLU A 69 -3.507 -16.518 -4.463 1.00 0.00 O ATOM 1065 OE2 GLU A 69 -1.910 -17.866 -3.694 1.00 0.00 O ATOM 0 H GLU A 69 -0.386 -13.238 -2.593 1.00 0.00 H new ATOM 0 HA GLU A 69 0.665 -14.917 -4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.079 -13.645 -4.317 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.679 -14.939 -5.430 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.696 -15.851 -2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.211 -15.068 -2.539 1.00 0.00 H new ATOM 1072 N ALA A 70 -0.128 -11.839 -5.460 1.00 0.00 N ATOM 1073 CA ALA A 70 0.048 -10.823 -6.484 1.00 0.00 C ATOM 1074 C ALA A 70 1.426 -10.179 -6.325 1.00 0.00 C ATOM 1075 O ALA A 70 1.713 -9.157 -6.948 1.00 0.00 O ATOM 1076 CB ALA A 70 -1.088 -9.802 -6.392 1.00 0.00 C ATOM 0 H ALA A 70 -0.590 -11.513 -4.611 1.00 0.00 H new ATOM 0 HA ALA A 70 0.005 -11.268 -7.478 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.956 -9.040 -7.160 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.043 -10.306 -6.541 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.076 -9.332 -5.409 1.00 0.00 H new ATOM 1082 N ASN A 71 2.243 -10.802 -5.488 1.00 0.00 N ATOM 1083 CA ASN A 71 3.584 -10.301 -5.240 1.00 0.00 C ATOM 1084 C ASN A 71 3.550 -8.773 -5.176 1.00 0.00 C ATOM 1085 O ASN A 71 4.183 -8.100 -5.988 1.00 0.00 O ATOM 1086 CB ASN A 71 4.540 -10.706 -6.363 1.00 0.00 C ATOM 1087 CG ASN A 71 5.945 -10.972 -5.819 1.00 0.00 C ATOM 1088 OD1 ASN A 71 6.133 -11.628 -4.807 1.00 0.00 O ATOM 1089 ND2 ASN A 71 6.918 -10.428 -6.544 1.00 0.00 N ATOM 0 H ASN A 71 2.002 -11.649 -4.973 1.00 0.00 H new ATOM 0 HA ASN A 71 3.933 -10.725 -4.299 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.164 -11.600 -6.861 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.580 -9.916 -7.113 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.891 -10.548 -6.263 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.691 -9.890 -7.381 1.00 0.00 H new ATOM 1096 N ILE A 72 2.805 -8.270 -4.203 1.00 0.00 N ATOM 1097 CA ILE A 72 2.680 -6.833 -4.023 1.00 0.00 C ATOM 1098 C ILE A 72 3.514 -6.401 -2.815 1.00 0.00 C ATOM 1099 O ILE A 72 3.255 -6.830 -1.692 1.00 0.00 O ATOM 1100 CB ILE A 72 1.207 -6.431 -3.929 1.00 0.00 C ATOM 1101 CG1 ILE A 72 0.413 -6.973 -5.119 1.00 0.00 C ATOM 1102 CG2 ILE A 72 1.060 -4.915 -3.784 1.00 0.00 C ATOM 1103 CD1 ILE A 72 -1.093 -6.858 -4.873 1.00 0.00 C ATOM 0 H ILE A 72 2.282 -8.831 -3.531 1.00 0.00 H new ATOM 0 HA ILE A 72 3.076 -6.304 -4.890 1.00 0.00 H new ATOM 0 HB ILE A 72 0.787 -6.882 -3.030 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.681 -6.422 -6.020 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.678 -8.016 -5.293 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.003 -4.656 -3.719 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.570 -4.585 -2.879 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.502 -4.422 -4.650 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.633 -7.250 -5.734 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.361 -7.430 -3.985 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.358 -5.811 -4.724 1.00 0.00 H new ATOM 1115 N ARG A 73 4.497 -5.556 -3.088 1.00 0.00 N ATOM 1116 CA ARG A 73 5.371 -5.061 -2.037 1.00 0.00 C ATOM 1117 C ARG A 73 4.547 -4.412 -0.924 1.00 0.00 C ATOM 1118 O ARG A 73 3.804 -3.462 -1.169 1.00 0.00 O ATOM 1119 CB ARG A 73 6.368 -4.038 -2.587 1.00 0.00 C ATOM 1120 CG ARG A 73 5.706 -2.671 -2.769 1.00 0.00 C ATOM 1121 CD ARG A 73 6.580 -1.749 -3.622 1.00 0.00 C ATOM 1122 NE ARG A 73 6.904 -2.405 -4.908 1.00 0.00 N ATOM 1123 CZ ARG A 73 6.122 -2.355 -5.995 1.00 0.00 C ATOM 1124 NH1 ARG A 73 4.965 -1.680 -5.958 1.00 0.00 N ATOM 1125 NH2 ARG A 73 6.496 -2.981 -7.119 1.00 0.00 N ATOM 0 H ARG A 73 4.708 -5.201 -4.021 1.00 0.00 H new ATOM 0 HA ARG A 73 5.923 -5.911 -1.636 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.215 -3.948 -1.907 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.762 -4.386 -3.542 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.732 -2.795 -3.242 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.532 -2.214 -1.795 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.060 -0.809 -3.805 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.498 -1.507 -3.087 1.00 0.00 H new ATOM 0 HE ARG A 73 7.777 -2.928 -4.971 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.679 -1.204 -5.102 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.370 -1.642 -6.786 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.376 -3.496 -7.147 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.901 -2.943 -7.946 1.00 0.00 H new ATOM 1139 N VAL A 74 4.705 -4.950 0.277 1.00 0.00 N ATOM 1140 CA VAL A 74 3.985 -4.435 1.428 1.00 0.00 C ATOM 1141 C VAL A 74 4.850 -3.395 2.142 1.00 0.00 C ATOM 1142 O VAL A 74 6.010 -3.657 2.456 1.00 0.00 O ATOM 1143 CB VAL A 74 3.563 -5.589 2.340 1.00 0.00 C ATOM 1144 CG1 VAL A 74 2.624 -5.100 3.445 1.00 0.00 C ATOM 1145 CG2 VAL A 74 2.918 -6.718 1.533 1.00 0.00 C ATOM 0 H VAL A 74 5.321 -5.738 0.477 1.00 0.00 H new ATOM 0 HA VAL A 74 3.069 -3.935 1.113 1.00 0.00 H new ATOM 0 HB VAL A 74 4.460 -5.986 2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.339 -5.940 4.079 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.132 -4.347 4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.731 -4.664 2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.627 -7.525 2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.035 -6.339 1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.631 -7.095 0.800 1.00 0.00 H new ATOM 1155 N VAL A 75 4.253 -2.236 2.379 1.00 0.00 N ATOM 1156 CA VAL A 75 4.954 -1.155 3.050 1.00 0.00 C ATOM 1157 C VAL A 75 4.147 -0.709 4.270 1.00 0.00 C ATOM 1158 O VAL A 75 3.008 -1.136 4.455 1.00 0.00 O ATOM 1159 CB VAL A 75 5.227 -0.017 2.064 1.00 0.00 C ATOM 1160 CG1 VAL A 75 6.184 -0.467 0.958 1.00 0.00 C ATOM 1161 CG2 VAL A 75 3.922 0.522 1.475 1.00 0.00 C ATOM 0 H VAL A 75 3.290 -2.022 2.118 1.00 0.00 H new ATOM 0 HA VAL A 75 5.925 -1.495 3.410 1.00 0.00 H new ATOM 0 HB VAL A 75 5.707 0.794 2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.361 0.361 0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.130 -0.780 1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.744 -1.302 0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.144 1.330 0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.402 -0.279 0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.289 0.900 2.278 1.00 0.00 H new ATOM 1171 N SER A 76 4.768 0.145 5.071 1.00 0.00 N ATOM 1172 CA SER A 76 4.121 0.654 6.268 1.00 0.00 C ATOM 1173 C SER A 76 3.369 1.947 5.947 1.00 0.00 C ATOM 1174 O SER A 76 3.548 2.524 4.876 1.00 0.00 O ATOM 1175 CB SER A 76 5.139 0.895 7.384 1.00 0.00 C ATOM 1176 OG SER A 76 5.689 2.208 7.330 1.00 0.00 O ATOM 0 H SER A 76 5.712 0.497 4.914 1.00 0.00 H new ATOM 0 HA SER A 76 3.410 -0.095 6.617 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.660 0.742 8.351 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.942 0.162 7.307 1.00 0.00 H new ATOM 0 HG SER A 76 6.443 2.273 7.953 1.00 0.00 H new ATOM 1182 N GLU A 77 2.543 2.364 6.895 1.00 0.00 N ATOM 1183 CA GLU A 77 1.763 3.579 6.727 1.00 0.00 C ATOM 1184 C GLU A 77 2.689 4.789 6.590 1.00 0.00 C ATOM 1185 O GLU A 77 2.295 5.817 6.040 1.00 0.00 O ATOM 1186 CB GLU A 77 0.783 3.766 7.887 1.00 0.00 C ATOM 1187 CG GLU A 77 -0.503 4.447 7.414 1.00 0.00 C ATOM 1188 CD GLU A 77 -0.449 5.955 7.664 1.00 0.00 C ATOM 1189 OE1 GLU A 77 -0.349 6.330 8.852 1.00 0.00 O ATOM 1190 OE2 GLU A 77 -0.508 6.699 6.661 1.00 0.00 O ATOM 0 H GLU A 77 2.397 1.882 7.782 1.00 0.00 H new ATOM 0 HA GLU A 77 1.178 3.489 5.812 1.00 0.00 H new ATOM 0 HB2 GLU A 77 0.545 2.797 8.327 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.250 4.365 8.669 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.650 4.256 6.351 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.359 4.019 7.936 1.00 0.00 H new ATOM 1197 N ASP A 78 3.901 4.628 7.100 1.00 0.00 N ATOM 1198 CA ASP A 78 4.886 5.695 7.041 1.00 0.00 C ATOM 1199 C ASP A 78 5.117 6.090 5.581 1.00 0.00 C ATOM 1200 O ASP A 78 5.136 7.275 5.251 1.00 0.00 O ATOM 1201 CB ASP A 78 6.225 5.241 7.625 1.00 0.00 C ATOM 1202 CG ASP A 78 6.169 4.765 9.078 1.00 0.00 C ATOM 1203 OD1 ASP A 78 5.036 4.559 9.565 1.00 0.00 O ATOM 1204 OD2 ASP A 78 7.260 4.618 9.670 1.00 0.00 O ATOM 0 H ASP A 78 4.224 3.775 7.556 1.00 0.00 H new ATOM 0 HA ASP A 78 4.506 6.537 7.620 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.618 4.432 7.008 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.933 6.067 7.556 1.00 0.00 H new ATOM 1209 N PHE A 79 5.286 5.076 4.746 1.00 0.00 N ATOM 1210 CA PHE A 79 5.514 5.303 3.329 1.00 0.00 C ATOM 1211 C PHE A 79 4.669 6.471 2.818 1.00 0.00 C ATOM 1212 O PHE A 79 5.133 7.268 2.004 1.00 0.00 O ATOM 1213 CB PHE A 79 5.094 4.026 2.598 1.00 0.00 C ATOM 1214 CG PHE A 79 4.744 4.240 1.124 1.00 0.00 C ATOM 1215 CD1 PHE A 79 5.732 4.468 0.217 1.00 0.00 C ATOM 1216 CD2 PHE A 79 3.446 4.201 0.720 1.00 0.00 C ATOM 1217 CE1 PHE A 79 5.407 4.667 -1.151 1.00 0.00 C ATOM 1218 CE2 PHE A 79 3.122 4.399 -0.648 1.00 0.00 C ATOM 1219 CZ PHE A 79 4.109 4.628 -1.555 1.00 0.00 C ATOM 0 H PHE A 79 5.270 4.095 5.023 1.00 0.00 H new ATOM 0 HA PHE A 79 6.562 5.545 3.155 1.00 0.00 H new ATOM 0 HB2 PHE A 79 5.902 3.298 2.667 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.232 3.595 3.107 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.763 4.498 0.537 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.662 4.019 1.440 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.191 4.849 -1.871 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.091 4.368 -0.968 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.862 4.779 -2.596 1.00 0.00 H new ATOM 1229 N LEU A 80 3.443 6.535 3.316 1.00 0.00 N ATOM 1230 CA LEU A 80 2.529 7.593 2.920 1.00 0.00 C ATOM 1231 C LEU A 80 3.086 8.942 3.379 1.00 0.00 C ATOM 1232 O LEU A 80 3.183 9.879 2.589 1.00 0.00 O ATOM 1233 CB LEU A 80 1.118 7.302 3.436 1.00 0.00 C ATOM 1234 CG LEU A 80 0.366 6.172 2.731 1.00 0.00 C ATOM 1235 CD1 LEU A 80 -0.866 5.749 3.534 1.00 0.00 C ATOM 1236 CD2 LEU A 80 0.008 6.562 1.295 1.00 0.00 C ATOM 0 H LEU A 80 3.061 5.872 3.990 1.00 0.00 H new ATOM 0 HA LEU A 80 2.444 7.637 1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.183 7.062 4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.526 8.214 3.351 1.00 0.00 H new ATOM 0 HG LEU A 80 1.026 5.307 2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.383 4.944 3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.556 5.401 4.519 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.538 6.600 3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.526 5.741 0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.626 7.449 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.920 6.775 0.738 1.00 0.00 H new ATOM 1248 N GLN A 81 3.438 8.997 4.656 1.00 0.00 N ATOM 1249 CA GLN A 81 3.983 10.215 5.230 1.00 0.00 C ATOM 1250 C GLN A 81 5.248 10.636 4.480 1.00 0.00 C ATOM 1251 O GLN A 81 5.598 11.815 4.457 1.00 0.00 O ATOM 1252 CB GLN A 81 4.264 10.040 6.723 1.00 0.00 C ATOM 1253 CG GLN A 81 5.359 11.000 7.192 1.00 0.00 C ATOM 1254 CD GLN A 81 4.928 12.456 7.006 1.00 0.00 C ATOM 1255 OE1 GLN A 81 3.955 12.762 6.336 1.00 0.00 O ATOM 1256 NE2 GLN A 81 5.704 13.334 7.634 1.00 0.00 N ATOM 0 H GLN A 81 3.356 8.217 5.309 1.00 0.00 H new ATOM 0 HA GLN A 81 3.241 11.006 5.124 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.351 10.218 7.292 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.567 9.012 6.921 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.584 10.815 8.242 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.275 10.814 6.632 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.503 13.010 8.178 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.500 14.331 7.571 1.00 0.00 H new ATOM 1265 N ASP A 82 5.900 9.648 3.884 1.00 0.00 N ATOM 1266 CA ASP A 82 7.119 9.901 3.135 1.00 0.00 C ATOM 1267 C ASP A 82 6.760 10.272 1.695 1.00 0.00 C ATOM 1268 O ASP A 82 7.147 11.334 1.209 1.00 0.00 O ATOM 1269 CB ASP A 82 8.009 8.657 3.094 1.00 0.00 C ATOM 1270 CG ASP A 82 8.988 8.524 4.262 1.00 0.00 C ATOM 1271 OD1 ASP A 82 8.523 8.117 5.349 1.00 0.00 O ATOM 1272 OD2 ASP A 82 10.180 8.831 4.042 1.00 0.00 O ATOM 0 H ASP A 82 5.607 8.671 3.905 1.00 0.00 H new ATOM 0 HA ASP A 82 7.655 10.712 3.628 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.372 7.773 3.071 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.576 8.665 2.163 1.00 0.00 H new ATOM 1277 N VAL A 83 6.025 9.377 1.052 1.00 0.00 N ATOM 1278 CA VAL A 83 5.609 9.597 -0.322 1.00 0.00 C ATOM 1279 C VAL A 83 4.996 10.993 -0.448 1.00 0.00 C ATOM 1280 O VAL A 83 5.181 11.667 -1.460 1.00 0.00 O ATOM 1281 CB VAL A 83 4.657 8.484 -0.766 1.00 0.00 C ATOM 1282 CG1 VAL A 83 3.199 8.884 -0.530 1.00 0.00 C ATOM 1283 CG2 VAL A 83 4.893 8.112 -2.231 1.00 0.00 C ATOM 0 H VAL A 83 5.707 8.497 1.458 1.00 0.00 H new ATOM 0 HA VAL A 83 6.468 9.558 -0.991 1.00 0.00 H new ATOM 0 HB VAL A 83 4.866 7.603 -0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.543 8.076 -0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.042 9.076 0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.972 9.786 -1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.204 7.319 -2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.725 8.986 -2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.919 7.765 -2.358 1.00 0.00 H new ATOM 1293 N SER A 84 4.279 11.386 0.595 1.00 0.00 N ATOM 1294 CA SER A 84 3.638 12.690 0.614 1.00 0.00 C ATOM 1295 C SER A 84 4.669 13.775 0.932 1.00 0.00 C ATOM 1296 O SER A 84 4.563 14.899 0.442 1.00 0.00 O ATOM 1297 CB SER A 84 2.497 12.727 1.633 1.00 0.00 C ATOM 1298 OG SER A 84 2.933 13.196 2.906 1.00 0.00 O ATOM 0 H SER A 84 4.128 10.824 1.433 1.00 0.00 H new ATOM 0 HA SER A 84 3.215 12.878 -0.373 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.701 13.372 1.262 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.074 11.728 1.740 1.00 0.00 H new ATOM 0 HG SER A 84 2.332 13.905 3.217 1.00 0.00 H new ATOM 1304 N ALA A 85 5.642 13.401 1.749 1.00 0.00 N ATOM 1305 CA ALA A 85 6.691 14.328 2.138 1.00 0.00 C ATOM 1306 C ALA A 85 8.055 13.668 1.924 1.00 0.00 C ATOM 1307 O ALA A 85 8.765 13.378 2.885 1.00 0.00 O ATOM 1308 CB ALA A 85 6.476 14.764 3.589 1.00 0.00 C ATOM 0 H ALA A 85 5.726 12.468 2.153 1.00 0.00 H new ATOM 0 HA ALA A 85 6.658 15.225 1.520 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.263 15.459 3.880 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.507 15.254 3.682 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.505 13.890 4.240 1.00 0.00 H new ATOM 1314 N SER A 86 8.379 13.451 0.658 1.00 0.00 N ATOM 1315 CA SER A 86 9.645 12.830 0.306 1.00 0.00 C ATOM 1316 C SER A 86 9.811 12.808 -1.215 1.00 0.00 C ATOM 1317 O SER A 86 8.943 12.311 -1.931 1.00 0.00 O ATOM 1318 CB SER A 86 9.739 11.412 0.871 1.00 0.00 C ATOM 1319 OG SER A 86 11.084 10.941 0.912 1.00 0.00 O ATOM 0 H SER A 86 7.787 13.694 -0.137 1.00 0.00 H new ATOM 0 HA SER A 86 10.450 13.420 0.745 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.318 11.394 1.876 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.137 10.738 0.261 1.00 0.00 H new ATOM 0 HG SER A 86 11.152 10.200 1.550 1.00 0.00 H new ATOM 1325 N THR A 87 10.933 13.351 -1.664 1.00 0.00 N ATOM 1326 CA THR A 87 11.224 13.400 -3.086 1.00 0.00 C ATOM 1327 C THR A 87 12.094 12.209 -3.493 1.00 0.00 C ATOM 1328 O THR A 87 13.073 12.371 -4.221 1.00 0.00 O ATOM 1329 CB THR A 87 11.867 14.755 -3.392 1.00 0.00 C ATOM 1330 OG1 THR A 87 13.122 14.702 -2.720 1.00 0.00 O ATOM 1331 CG2 THR A 87 11.132 15.916 -2.719 1.00 0.00 C ATOM 0 H THR A 87 11.652 13.761 -1.067 1.00 0.00 H new ATOM 0 HA THR A 87 10.313 13.316 -3.679 1.00 0.00 H new ATOM 0 HB THR A 87 11.886 14.914 -4.470 1.00 0.00 H new ATOM 0 HG1 THR A 87 13.607 15.541 -2.867 1.00 0.00 H new ATOM 0 HG21 THR A 87 11.628 16.854 -2.968 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.101 15.947 -3.071 1.00 0.00 H new ATOM 0 HG23 THR A 87 11.143 15.776 -1.638 1.00 0.00 H new ATOM 1339 N LYS A 88 11.706 11.040 -3.006 1.00 0.00 N ATOM 1340 CA LYS A 88 12.439 9.822 -3.310 1.00 0.00 C ATOM 1341 C LYS A 88 11.617 8.965 -4.274 1.00 0.00 C ATOM 1342 O LYS A 88 10.388 9.012 -4.259 1.00 0.00 O ATOM 1343 CB LYS A 88 12.830 9.096 -2.022 1.00 0.00 C ATOM 1344 CG LYS A 88 13.859 9.904 -1.228 1.00 0.00 C ATOM 1345 CD LYS A 88 15.258 9.302 -1.373 1.00 0.00 C ATOM 1346 CE LYS A 88 15.658 8.533 -0.112 1.00 0.00 C ATOM 1347 NZ LYS A 88 17.131 8.429 -0.014 1.00 0.00 N ATOM 0 H LYS A 88 10.894 10.910 -2.403 1.00 0.00 H new ATOM 0 HA LYS A 88 13.377 10.057 -3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.943 8.929 -1.411 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.240 8.115 -2.263 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.865 10.936 -1.578 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.576 9.926 -0.176 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.283 8.634 -2.234 1.00 0.00 H new ATOM 0 HD3 LYS A 88 15.981 10.095 -1.564 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.264 9.038 0.770 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.218 7.536 -0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 17.385 7.904 0.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 17.500 7.927 -0.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.544 9.382 0.027 1.00 0.00 H new ATOM 1361 N SER A 89 12.328 8.200 -5.090 1.00 0.00 N ATOM 1362 CA SER A 89 11.679 7.333 -6.059 1.00 0.00 C ATOM 1363 C SER A 89 10.859 6.263 -5.336 1.00 0.00 C ATOM 1364 O SER A 89 11.326 5.666 -4.367 1.00 0.00 O ATOM 1365 CB SER A 89 12.705 6.679 -6.986 1.00 0.00 C ATOM 1366 OG SER A 89 13.748 7.580 -7.349 1.00 0.00 O ATOM 0 H SER A 89 13.347 8.163 -5.100 1.00 0.00 H new ATOM 0 HA SER A 89 11.013 7.941 -6.671 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.135 5.807 -6.493 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.205 6.322 -7.886 1.00 0.00 H new ATOM 0 HG SER A 89 14.383 7.124 -7.940 1.00 0.00 H new ATOM 1372 N LEU A 90 9.649 6.053 -5.835 1.00 0.00 N ATOM 1373 CA LEU A 90 8.759 5.065 -5.249 1.00 0.00 C ATOM 1374 C LEU A 90 9.567 3.826 -4.858 1.00 0.00 C ATOM 1375 O LEU A 90 9.633 3.469 -3.683 1.00 0.00 O ATOM 1376 CB LEU A 90 7.594 4.766 -6.194 1.00 0.00 C ATOM 1377 CG LEU A 90 6.340 5.622 -6.004 1.00 0.00 C ATOM 1378 CD1 LEU A 90 5.897 5.629 -4.539 1.00 0.00 C ATOM 1379 CD2 LEU A 90 6.555 7.038 -6.544 1.00 0.00 C ATOM 0 H LEU A 90 9.265 6.550 -6.638 1.00 0.00 H new ATOM 0 HA LEU A 90 8.307 5.453 -4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.943 4.890 -7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.316 3.719 -6.076 1.00 0.00 H new ATOM 0 HG LEU A 90 5.532 5.176 -6.583 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.004 6.245 -4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.676 4.610 -4.221 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.695 6.037 -3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.649 7.625 -6.396 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.383 7.508 -6.013 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.787 6.990 -7.608 1.00 0.00 H new ATOM 1391 N GLN A 91 10.160 3.203 -5.866 1.00 0.00 N ATOM 1392 CA GLN A 91 10.960 2.011 -5.642 1.00 0.00 C ATOM 1393 C GLN A 91 11.759 2.144 -4.343 1.00 0.00 C ATOM 1394 O GLN A 91 11.678 1.282 -3.470 1.00 0.00 O ATOM 1395 CB GLN A 91 11.886 1.741 -6.830 1.00 0.00 C ATOM 1396 CG GLN A 91 11.789 0.282 -7.280 1.00 0.00 C ATOM 1397 CD GLN A 91 13.137 -0.428 -7.132 1.00 0.00 C ATOM 1398 OE1 GLN A 91 13.626 -0.665 -6.041 1.00 0.00 O ATOM 1399 NE2 GLN A 91 13.707 -0.752 -8.290 1.00 0.00 N ATOM 0 H GLN A 91 10.102 3.501 -6.840 1.00 0.00 H new ATOM 0 HA GLN A 91 10.288 1.158 -5.546 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.622 2.399 -7.658 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.915 1.973 -6.554 1.00 0.00 H new ATOM 0 HG2 GLN A 91 11.034 -0.236 -6.688 1.00 0.00 H new ATOM 0 HG3 GLN A 91 11.463 0.239 -8.319 1.00 0.00 H new ATOM 0 HE21 GLN A 91 13.242 -0.524 -9.169 1.00 0.00 H new ATOM 0 HE22 GLN A 91 14.609 -1.229 -8.299 1.00 0.00 H new ATOM 1408 N GLU A 92 12.511 3.231 -4.258 1.00 0.00 N ATOM 1409 CA GLU A 92 13.324 3.488 -3.080 1.00 0.00 C ATOM 1410 C GLU A 92 12.435 3.629 -1.843 1.00 0.00 C ATOM 1411 O GLU A 92 12.616 2.913 -0.859 1.00 0.00 O ATOM 1412 CB GLU A 92 14.194 4.731 -3.275 1.00 0.00 C ATOM 1413 CG GLU A 92 15.255 4.494 -4.352 1.00 0.00 C ATOM 1414 CD GLU A 92 16.538 3.925 -3.743 1.00 0.00 C ATOM 1415 OE1 GLU A 92 16.902 4.397 -2.644 1.00 0.00 O ATOM 1416 OE2 GLU A 92 17.125 3.031 -4.389 1.00 0.00 O ATOM 0 H GLU A 92 12.575 3.944 -4.985 1.00 0.00 H new ATOM 0 HA GLU A 92 13.991 2.639 -2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.567 5.577 -3.557 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.678 4.992 -2.334 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.868 3.805 -5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 92 15.475 5.431 -4.863 1.00 0.00 H new ATOM 1423 N LEU A 93 11.494 4.558 -1.933 1.00 0.00 N ATOM 1424 CA LEU A 93 10.577 4.802 -0.832 1.00 0.00 C ATOM 1425 C LEU A 93 10.105 3.464 -0.261 1.00 0.00 C ATOM 1426 O LEU A 93 10.123 3.262 0.952 1.00 0.00 O ATOM 1427 CB LEU A 93 9.435 5.717 -1.280 1.00 0.00 C ATOM 1428 CG LEU A 93 9.674 7.219 -1.112 1.00 0.00 C ATOM 1429 CD1 LEU A 93 8.532 8.028 -1.731 1.00 0.00 C ATOM 1430 CD2 LEU A 93 9.899 7.577 0.358 1.00 0.00 C ATOM 0 H LEU A 93 11.347 5.150 -2.750 1.00 0.00 H new ATOM 0 HA LEU A 93 11.082 5.332 -0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.227 5.518 -2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.539 5.447 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 93 10.584 7.483 -1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.726 9.092 -1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.461 7.802 -2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.594 7.767 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.066 8.650 0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.021 7.296 0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.770 7.040 0.734 1.00 0.00 H new ATOM 1442 N PHE A 94 9.693 2.584 -1.162 1.00 0.00 N ATOM 1443 CA PHE A 94 9.216 1.271 -0.762 1.00 0.00 C ATOM 1444 C PHE A 94 10.261 0.543 0.086 1.00 0.00 C ATOM 1445 O PHE A 94 9.972 0.116 1.202 1.00 0.00 O ATOM 1446 CB PHE A 94 8.973 0.474 -2.045 1.00 0.00 C ATOM 1447 CG PHE A 94 7.949 1.109 -2.988 1.00 0.00 C ATOM 1448 CD1 PHE A 94 6.993 1.940 -2.493 1.00 0.00 C ATOM 1449 CD2 PHE A 94 7.994 0.842 -4.321 1.00 0.00 C ATOM 1450 CE1 PHE A 94 6.042 2.530 -3.367 1.00 0.00 C ATOM 1451 CE2 PHE A 94 7.043 1.432 -5.195 1.00 0.00 C ATOM 1452 CZ PHE A 94 6.087 2.263 -4.700 1.00 0.00 C ATOM 0 H PHE A 94 9.680 2.755 -2.168 1.00 0.00 H new ATOM 0 HA PHE A 94 8.309 1.370 -0.166 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.919 0.361 -2.575 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.635 -0.528 -1.780 1.00 0.00 H new ATOM 0 HD1 PHE A 94 6.957 2.151 -1.434 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.753 0.182 -4.714 1.00 0.00 H new ATOM 0 HE1 PHE A 94 5.283 3.190 -2.974 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.079 1.221 -6.254 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.364 2.711 -5.365 1.00 0.00 H new ATOM 1462 N LEU A 95 11.455 0.425 -0.477 1.00 0.00 N ATOM 1463 CA LEU A 95 12.545 -0.244 0.214 1.00 0.00 C ATOM 1464 C LEU A 95 12.801 0.455 1.550 1.00 0.00 C ATOM 1465 O LEU A 95 13.245 -0.175 2.509 1.00 0.00 O ATOM 1466 CB LEU A 95 13.780 -0.323 -0.686 1.00 0.00 C ATOM 1467 CG LEU A 95 13.789 -1.456 -1.715 1.00 0.00 C ATOM 1468 CD1 LEU A 95 14.252 -2.769 -1.081 1.00 0.00 C ATOM 1469 CD2 LEU A 95 12.423 -1.595 -2.388 1.00 0.00 C ATOM 0 H LEU A 95 11.692 0.781 -1.403 1.00 0.00 H new ATOM 0 HA LEU A 95 12.277 -1.276 0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.879 0.624 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 95 14.661 -0.427 -0.052 1.00 0.00 H new ATOM 0 HG LEU A 95 14.508 -1.204 -2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 95 14.249 -3.557 -1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 95 15.261 -2.647 -0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 95 13.576 -3.040 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 95 12.456 -2.407 -3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 95 11.667 -1.813 -1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 95 12.171 -0.664 -2.896 1.00 0.00 H new ATOM 1481 N ALA A 96 12.509 1.747 1.571 1.00 0.00 N ATOM 1482 CA ALA A 96 12.703 2.539 2.775 1.00 0.00 C ATOM 1483 C ALA A 96 11.581 2.231 3.768 1.00 0.00 C ATOM 1484 O ALA A 96 11.720 2.481 4.964 1.00 0.00 O ATOM 1485 CB ALA A 96 12.764 4.022 2.406 1.00 0.00 C ATOM 0 H ALA A 96 12.140 2.266 0.774 1.00 0.00 H new ATOM 0 HA ALA A 96 13.648 2.284 3.255 1.00 0.00 H new ATOM 0 HB1 ALA A 96 12.909 4.616 3.308 1.00 0.00 H new ATOM 0 HB2 ALA A 96 13.595 4.193 1.721 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.831 4.316 1.925 1.00 0.00 H new ATOM 1491 N HIS A 97 10.494 1.691 3.236 1.00 0.00 N ATOM 1492 CA HIS A 97 9.348 1.346 4.061 1.00 0.00 C ATOM 1493 C HIS A 97 8.757 0.017 3.587 1.00 0.00 C ATOM 1494 O HIS A 97 7.545 -0.099 3.410 1.00 0.00 O ATOM 1495 CB HIS A 97 8.323 2.482 4.069 1.00 0.00 C ATOM 1496 CG HIS A 97 8.914 3.841 4.361 1.00 0.00 C ATOM 1497 ND1 HIS A 97 9.209 4.270 5.643 1.00 0.00 N ATOM 1498 CD2 HIS A 97 9.263 4.860 3.524 1.00 0.00 C ATOM 1499 CE1 HIS A 97 9.710 5.494 5.570 1.00 0.00 C ATOM 1500 NE2 HIS A 97 9.743 5.858 4.255 1.00 0.00 N ATOM 0 H HIS A 97 10.383 1.484 2.244 1.00 0.00 H new ATOM 0 HA HIS A 97 9.666 1.214 5.095 1.00 0.00 H new ATOM 0 HB2 HIS A 97 7.825 2.515 3.100 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.558 2.262 4.814 1.00 0.00 H new ATOM 0 HD1 HIS A 97 9.065 3.734 6.499 1.00 0.00 H new ATOM 0 HD2 HIS A 97 9.165 4.855 2.448 1.00 0.00 H new ATOM 0 HE1 HIS A 97 10.035 6.098 6.404 1.00 0.00 H new ATOM 1508 N ILE A 98 9.640 -0.952 3.396 1.00 0.00 N ATOM 1509 CA ILE A 98 9.220 -2.269 2.947 1.00 0.00 C ATOM 1510 C ILE A 98 9.067 -3.191 4.158 1.00 0.00 C ATOM 1511 O ILE A 98 10.020 -3.402 4.907 1.00 0.00 O ATOM 1512 CB ILE A 98 10.182 -2.804 1.884 1.00 0.00 C ATOM 1513 CG1 ILE A 98 9.559 -3.974 1.121 1.00 0.00 C ATOM 1514 CG2 ILE A 98 11.531 -3.176 2.503 1.00 0.00 C ATOM 1515 CD1 ILE A 98 9.193 -3.564 -0.308 1.00 0.00 C ATOM 0 H ILE A 98 10.644 -0.852 3.544 1.00 0.00 H new ATOM 0 HA ILE A 98 8.245 -2.214 2.463 1.00 0.00 H new ATOM 0 HB ILE A 98 10.368 -2.010 1.160 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.258 -4.810 1.096 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.667 -4.320 1.644 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.196 -3.553 1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 98 11.975 -2.294 2.964 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.384 -3.946 3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.752 -4.414 -0.829 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.475 -2.744 -0.279 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.091 -3.242 -0.835 1.00 0.00 H new ATOM 1527 N LEU A 99 7.861 -3.716 4.314 1.00 0.00 N ATOM 1528 CA LEU A 99 7.571 -4.611 5.421 1.00 0.00 C ATOM 1529 C LEU A 99 7.697 -6.060 4.946 1.00 0.00 C ATOM 1530 O LEU A 99 7.936 -6.961 5.749 1.00 0.00 O ATOM 1531 CB LEU A 99 6.208 -4.281 6.034 1.00 0.00 C ATOM 1532 CG LEU A 99 6.081 -2.901 6.682 1.00 0.00 C ATOM 1533 CD1 LEU A 99 4.767 -2.779 7.456 1.00 0.00 C ATOM 1534 CD2 LEU A 99 7.295 -2.594 7.560 1.00 0.00 C ATOM 0 H LEU A 99 7.073 -3.539 3.692 1.00 0.00 H new ATOM 0 HA LEU A 99 8.297 -4.473 6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.451 -4.365 5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.977 -5.036 6.785 1.00 0.00 H new ATOM 0 HG LEU A 99 6.059 -2.152 5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.701 -1.789 7.907 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.929 -2.924 6.775 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.734 -3.537 8.238 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.179 -1.607 8.009 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.374 -3.344 8.347 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.199 -2.612 6.951 1.00 0.00 H new ATOM 1546 N SER A 100 7.531 -6.240 3.644 1.00 0.00 N ATOM 1547 CA SER A 100 7.623 -7.564 3.053 1.00 0.00 C ATOM 1548 C SER A 100 8.950 -7.713 2.307 1.00 0.00 C ATOM 1549 O SER A 100 9.641 -6.725 2.060 1.00 0.00 O ATOM 1550 CB SER A 100 6.450 -7.828 2.107 1.00 0.00 C ATOM 1551 OG SER A 100 6.347 -6.832 1.093 1.00 0.00 O ATOM 0 H SER A 100 7.333 -5.490 2.981 1.00 0.00 H new ATOM 0 HA SER A 100 7.580 -8.300 3.856 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.572 -8.807 1.643 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.523 -7.860 2.679 1.00 0.00 H new ATOM 0 HG SER A 100 6.275 -7.264 0.216 1.00 0.00 H new ATOM 1557 N SER A 101 9.267 -8.954 1.971 1.00 0.00 N ATOM 1558 CA SER A 101 10.500 -9.245 1.258 1.00 0.00 C ATOM 1559 C SER A 101 10.200 -9.514 -0.218 1.00 0.00 C ATOM 1560 O SER A 101 11.106 -9.813 -0.994 1.00 0.00 O ATOM 1561 CB SER A 101 11.226 -10.440 1.879 1.00 0.00 C ATOM 1562 OG SER A 101 12.630 -10.217 1.981 1.00 0.00 O ATOM 0 H SER A 101 8.692 -9.770 2.179 1.00 0.00 H new ATOM 0 HA SER A 101 11.154 -8.376 1.336 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.817 -10.638 2.870 1.00 0.00 H new ATOM 0 HB3 SER A 101 11.043 -11.329 1.276 1.00 0.00 H new ATOM 0 HG SER A 101 13.057 -11.002 2.383 1.00 0.00 H new ATOM 1568 N TRP A 102 8.925 -9.398 -0.561 1.00 0.00 N ATOM 1569 CA TRP A 102 8.495 -9.625 -1.930 1.00 0.00 C ATOM 1570 C TRP A 102 8.035 -8.285 -2.509 1.00 0.00 C ATOM 1571 O TRP A 102 8.325 -7.230 -1.948 1.00 0.00 O ATOM 1572 CB TRP A 102 7.415 -10.706 -1.993 1.00 0.00 C ATOM 1573 CG TRP A 102 6.039 -10.240 -1.511 1.00 0.00 C ATOM 1574 CD1 TRP A 102 5.102 -9.579 -2.204 1.00 0.00 C ATOM 1575 CD2 TRP A 102 5.480 -10.429 -0.193 1.00 0.00 C ATOM 1576 NE1 TRP A 102 3.985 -9.328 -1.433 1.00 0.00 N ATOM 1577 CE2 TRP A 102 4.222 -9.862 -0.172 1.00 0.00 C ATOM 1578 CE3 TRP A 102 6.020 -11.058 0.942 1.00 0.00 C ATOM 1579 CZ2 TRP A 102 3.398 -9.867 0.960 1.00 0.00 C ATOM 1580 CZ3 TRP A 102 5.184 -11.055 2.065 1.00 0.00 C ATOM 1581 CH2 TRP A 102 3.915 -10.489 2.103 1.00 0.00 C ATOM 0 H TRP A 102 8.176 -9.150 0.086 1.00 0.00 H new ATOM 0 HA TRP A 102 9.319 -10.002 -2.536 1.00 0.00 H new ATOM 0 HB2 TRP A 102 7.328 -11.059 -3.021 1.00 0.00 H new ATOM 0 HB3 TRP A 102 7.731 -11.557 -1.389 1.00 0.00 H new ATOM 0 HD1 TRP A 102 5.207 -9.280 -3.236 1.00 0.00 H new ATOM 0 HE1 TRP A 102 3.141 -8.840 -1.733 1.00 0.00 H new ATOM 0 HE3 TRP A 102 7.002 -11.508 0.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.417 -9.416 0.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 5.551 -11.526 2.965 1.00 0.00 H new ATOM 0 HH2 TRP A 102 3.330 -10.529 3.010 1.00 0.00 H new ATOM 1592 N GLY A 103 7.324 -8.372 -3.624 1.00 0.00 N ATOM 1593 CA GLY A 103 6.821 -7.180 -4.285 1.00 0.00 C ATOM 1594 C GLY A 103 7.787 -6.708 -5.374 1.00 0.00 C ATOM 1595 O GLY A 103 8.338 -5.612 -5.287 1.00 0.00 O ATOM 0 H GLY A 103 7.085 -9.249 -4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 103 5.845 -7.388 -4.724 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.678 -6.386 -3.552 1.00 0.00 H new ATOM 1599 N ALA A 104 7.962 -7.559 -6.374 1.00 0.00 N ATOM 1600 CA ALA A 104 8.852 -7.243 -7.478 1.00 0.00 C ATOM 1601 C ALA A 104 8.200 -7.677 -8.793 1.00 0.00 C ATOM 1602 O ALA A 104 7.038 -8.081 -8.810 1.00 0.00 O ATOM 1603 CB ALA A 104 10.208 -7.914 -7.251 1.00 0.00 C ATOM 0 H ALA A 104 7.503 -8.467 -6.443 1.00 0.00 H new ATOM 0 HA ALA A 104 9.026 -6.168 -7.534 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.875 -7.676 -8.080 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.643 -7.550 -6.320 1.00 0.00 H new ATOM 0 HB3 ALA A 104 10.074 -8.994 -7.191 1.00 0.00 H new ATOM 1609 N GLU A 105 8.976 -7.578 -9.862 1.00 0.00 N ATOM 1610 CA GLU A 105 8.489 -7.956 -11.178 1.00 0.00 C ATOM 1611 C GLU A 105 7.826 -9.333 -11.123 1.00 0.00 C ATOM 1612 O GLU A 105 8.380 -10.271 -10.552 1.00 0.00 O ATOM 1613 CB GLU A 105 9.619 -7.932 -12.209 1.00 0.00 C ATOM 1614 CG GLU A 105 9.768 -6.540 -12.827 1.00 0.00 C ATOM 1615 CD GLU A 105 11.178 -6.336 -13.386 1.00 0.00 C ATOM 1616 OE1 GLU A 105 12.104 -6.208 -12.557 1.00 0.00 O ATOM 1617 OE2 GLU A 105 11.296 -6.314 -14.631 1.00 0.00 O ATOM 0 H GLU A 105 9.939 -7.241 -9.844 1.00 0.00 H new ATOM 0 HA GLU A 105 7.742 -7.227 -11.490 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.555 -8.225 -11.734 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.417 -8.662 -12.993 1.00 0.00 H new ATOM 0 HG2 GLU A 105 9.035 -6.412 -13.624 1.00 0.00 H new ATOM 0 HG3 GLU A 105 9.558 -5.780 -12.075 1.00 0.00 H new ATOM 1624 N VAL A 106 6.648 -9.412 -11.726 1.00 0.00 N ATOM 1625 CA VAL A 106 5.904 -10.660 -11.753 1.00 0.00 C ATOM 1626 C VAL A 106 4.684 -10.501 -12.663 1.00 0.00 C ATOM 1627 O VAL A 106 4.374 -9.395 -13.104 1.00 0.00 O ATOM 1628 CB VAL A 106 5.536 -11.081 -10.329 1.00 0.00 C ATOM 1629 CG1 VAL A 106 4.284 -10.347 -9.846 1.00 0.00 C ATOM 1630 CG2 VAL A 106 5.354 -12.597 -10.236 1.00 0.00 C ATOM 0 H VAL A 106 6.191 -8.632 -12.199 1.00 0.00 H new ATOM 0 HA VAL A 106 6.517 -11.461 -12.166 1.00 0.00 H new ATOM 0 HB VAL A 106 6.361 -10.802 -9.673 1.00 0.00 H new ATOM 0 HG11 VAL A 106 4.045 -10.665 -8.831 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.466 -9.272 -9.856 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.448 -10.580 -10.506 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.093 -12.870 -9.214 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.557 -12.910 -10.910 1.00 0.00 H new ATOM 0 HG23 VAL A 106 6.283 -13.093 -10.518 1.00 0.00 H new ATOM 1640 N LYS A 107 4.025 -11.622 -12.917 1.00 0.00 N ATOM 1641 CA LYS A 107 2.846 -11.621 -13.766 1.00 0.00 C ATOM 1642 C LYS A 107 1.673 -11.003 -13.003 1.00 0.00 C ATOM 1643 O LYS A 107 0.922 -11.710 -12.333 1.00 0.00 O ATOM 1644 CB LYS A 107 2.564 -13.030 -14.292 1.00 0.00 C ATOM 1645 CG LYS A 107 1.470 -13.006 -15.362 1.00 0.00 C ATOM 1646 CD LYS A 107 0.254 -13.823 -14.921 1.00 0.00 C ATOM 1647 CE LYS A 107 -0.641 -14.163 -16.114 1.00 0.00 C ATOM 1648 NZ LYS A 107 -1.278 -12.939 -16.649 1.00 0.00 N ATOM 0 H LYS A 107 4.285 -12.537 -12.550 1.00 0.00 H new ATOM 0 HA LYS A 107 3.013 -11.003 -14.649 1.00 0.00 H new ATOM 0 HB2 LYS A 107 3.477 -13.456 -14.709 1.00 0.00 H new ATOM 0 HB3 LYS A 107 2.258 -13.675 -13.468 1.00 0.00 H new ATOM 0 HG2 LYS A 107 1.170 -11.977 -15.557 1.00 0.00 H new ATOM 0 HG3 LYS A 107 1.862 -13.406 -16.297 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.585 -14.742 -14.437 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -0.317 -13.261 -14.182 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.050 -14.643 -16.894 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.407 -14.876 -15.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.908 -13.192 -17.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.830 -12.478 -15.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -0.544 -12.286 -16.989 1.00 0.00 H new ATOM 1662 N SER A 108 1.553 -9.689 -13.129 1.00 0.00 N ATOM 1663 CA SER A 108 0.484 -8.968 -12.459 1.00 0.00 C ATOM 1664 C SER A 108 0.565 -7.479 -12.799 1.00 0.00 C ATOM 1665 O SER A 108 1.398 -7.066 -13.604 1.00 0.00 O ATOM 1666 CB SER A 108 0.549 -9.171 -10.944 1.00 0.00 C ATOM 1667 OG SER A 108 1.771 -8.688 -10.392 1.00 0.00 O ATOM 0 H SER A 108 2.178 -9.105 -13.685 1.00 0.00 H new ATOM 0 HA SER A 108 -0.469 -9.363 -12.811 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.289 -8.657 -10.473 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.442 -10.231 -10.715 1.00 0.00 H new ATOM 0 HG SER A 108 1.773 -8.834 -9.423 1.00 0.00 H new ATOM 1673 N GLY A 109 -0.314 -6.712 -12.169 1.00 0.00 N ATOM 1674 CA GLY A 109 -0.353 -5.277 -12.396 1.00 0.00 C ATOM 1675 C GLY A 109 -0.667 -4.961 -13.859 1.00 0.00 C ATOM 1676 O GLY A 109 0.241 -4.814 -14.675 1.00 0.00 O ATOM 0 H GLY A 109 -1.004 -7.057 -11.502 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.107 -4.824 -11.753 1.00 0.00 H new ATOM 0 HA3 GLY A 109 0.606 -4.836 -12.123 1.00 0.00 H new ATOM 1680 N PRO A 110 -1.991 -4.865 -14.154 1.00 0.00 N ATOM 1681 CA PRO A 110 -2.437 -4.569 -15.505 1.00 0.00 C ATOM 1682 C PRO A 110 -2.219 -3.093 -15.844 1.00 0.00 C ATOM 1683 O PRO A 110 -1.872 -2.297 -14.973 1.00 0.00 O ATOM 1684 CB PRO A 110 -3.902 -4.974 -15.534 1.00 0.00 C ATOM 1685 CG PRO A 110 -4.343 -5.045 -14.081 1.00 0.00 C ATOM 1686 CD PRO A 110 -3.095 -5.034 -13.214 1.00 0.00 C ATOM 0 HA PRO A 110 -1.872 -5.112 -16.262 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.497 -4.248 -16.088 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.032 -5.936 -16.029 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -4.986 -4.200 -13.835 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.924 -5.950 -13.902 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.125 -4.222 -12.488 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.996 -5.962 -12.650 1.00 0.00 H new ATOM 1694 N SER A 111 -2.430 -2.772 -17.112 1.00 0.00 N ATOM 1695 CA SER A 111 -2.261 -1.406 -17.577 1.00 0.00 C ATOM 1696 C SER A 111 -0.989 -0.803 -16.977 1.00 0.00 C ATOM 1697 O SER A 111 -1.039 -0.147 -15.937 1.00 0.00 O ATOM 1698 CB SER A 111 -3.475 -0.548 -17.218 1.00 0.00 C ATOM 1699 OG SER A 111 -4.692 -1.122 -17.687 1.00 0.00 O ATOM 0 H SER A 111 -2.717 -3.435 -17.832 1.00 0.00 H new ATOM 0 HA SER A 111 -2.171 -1.423 -18.663 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.525 -0.426 -16.136 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.355 0.447 -17.646 1.00 0.00 H new ATOM 0 HG SER A 111 -5.444 -0.545 -17.436 1.00 0.00 H new ATOM 1705 N SER A 112 0.122 -1.048 -17.657 1.00 0.00 N ATOM 1706 CA SER A 112 1.404 -0.537 -17.204 1.00 0.00 C ATOM 1707 C SER A 112 2.239 -0.082 -18.403 1.00 0.00 C ATOM 1708 O SER A 112 3.133 -0.800 -18.850 1.00 0.00 O ATOM 1709 CB SER A 112 2.164 -1.593 -16.398 1.00 0.00 C ATOM 1710 OG SER A 112 2.475 -2.741 -17.182 1.00 0.00 O ATOM 0 H SER A 112 0.160 -1.594 -18.518 1.00 0.00 H new ATOM 0 HA SER A 112 1.221 0.317 -16.552 1.00 0.00 H new ATOM 0 HB2 SER A 112 3.085 -1.159 -16.010 1.00 0.00 H new ATOM 0 HB3 SER A 112 1.565 -1.893 -15.538 1.00 0.00 H new ATOM 0 HG SER A 112 2.892 -2.460 -18.023 1.00 0.00 H new ATOM 1716 N GLY A 113 1.919 1.108 -18.889 1.00 0.00 N ATOM 1717 CA GLY A 113 2.628 1.667 -20.027 1.00 0.00 C ATOM 1718 C GLY A 113 3.264 3.012 -19.670 1.00 0.00 C ATOM 1719 O GLY A 113 2.560 3.976 -19.373 1.00 0.00 O ATOM 0 H GLY A 113 1.178 1.701 -18.515 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.400 0.972 -20.356 1.00 0.00 H new ATOM 0 HA3 GLY A 113 1.939 1.797 -20.861 1.00 0.00 H new TER 1723 GLY A 113