USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 780 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 33 THR OG1 : rot 78:sc= 1.58 USER MOD Set 1.2: A 43 LYS NZ :NH3+ 144:sc= 1.28 (180deg=-0.427) USER MOD Single : A 1 MET CE :methyl 161:sc= -0.161 (180deg=-0.61) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.022) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 9:sc= 0.5 USER MOD Single : A 5 HIS : no HD1:sc=-0.00248 X(o=-0.0025,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0325 X(o=-0.032,f=-0.0051) USER MOD Single : A 9 HIS : no HD1:sc= -0.0387 X(o=-0.039,f=-0.046) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 11 SER OG : rot 35:sc= 0.0781 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HD1:sc= -0.0139 X(o=-0.014,f=-0.014) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= 0.00714 F(o=-1.9!,f=0.0071) USER MOD Single : A 27 MET CE :methyl -160:sc= -0.121 (180deg=-0.606) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 36 SER OG : rot 15:sc= 0.948 USER MOD Single : A 39 SER OG : rot 93:sc= 0.595 USER MOD Single : A 47 SER OG : rot -118:sc= 0.398 USER MOD Single : A 50 SER OG : rot -150:sc= 0.301 USER MOD Single : A 52 MET CE :methyl -178:sc= -1.63 (180deg=-1.64) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -14:sc= 0.549 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 67:sc= -0.21 USER MOD Single : A 87 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 93 GLN : amide:sc= -0.295 X(o=-0.3,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 169:sc= -0.0201 (180deg=-0.153) USER MOD Single : A 98 HIS :FLIP no HE2:sc= 0.19 F(o=-0.75,f=0.19) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.940 -46.754 -4.959 1.00 0.00 N ATOM 2 CA MET A 1 11.085 -46.494 -5.863 1.00 0.00 C ATOM 3 C MET A 1 10.711 -45.397 -6.866 1.00 0.00 C ATOM 4 O MET A 1 9.598 -45.401 -7.403 1.00 0.00 O ATOM 5 CB MET A 1 11.503 -47.789 -6.619 1.00 0.00 C ATOM 6 CG MET A 1 12.035 -48.916 -5.717 1.00 0.00 C ATOM 7 SD MET A 1 12.493 -50.401 -6.646 1.00 0.00 S ATOM 8 CE MET A 1 13.758 -49.765 -7.750 1.00 0.00 C ATOM 0 H1 MET A 1 10.228 -47.423 -4.217 1.00 0.00 H new ATOM 0 H2 MET A 1 9.634 -45.862 -4.520 1.00 0.00 H new ATOM 0 H3 MET A 1 9.152 -47.159 -5.504 1.00 0.00 H new ATOM 0 HA MET A 1 11.933 -46.164 -5.263 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.643 -48.162 -7.175 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.270 -47.535 -7.351 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.904 -48.555 -5.166 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.275 -49.174 -4.980 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.358 -50.592 -8.131 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.286 -49.245 -8.584 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.400 -49.071 -7.207 1.00 0.00 H new ATOM 20 N GLY A 2 11.655 -44.464 -7.105 1.00 0.00 N ATOM 21 CA GLY A 2 11.509 -43.417 -8.113 1.00 0.00 C ATOM 22 C GLY A 2 10.604 -42.271 -7.679 1.00 0.00 C ATOM 23 O GLY A 2 9.690 -41.896 -8.418 1.00 0.00 O ATOM 0 H GLY A 2 12.539 -44.423 -6.598 1.00 0.00 H new ATOM 0 HA2 GLY A 2 12.494 -43.018 -8.355 1.00 0.00 H new ATOM 0 HA3 GLY A 2 11.110 -43.858 -9.027 1.00 0.00 H new ATOM 27 N SER A 3 10.858 -41.721 -6.471 1.00 0.00 N ATOM 28 CA SER A 3 10.131 -40.553 -5.940 1.00 0.00 C ATOM 29 C SER A 3 10.503 -39.294 -6.741 1.00 0.00 C ATOM 30 O SER A 3 11.567 -38.695 -6.523 1.00 0.00 O ATOM 31 CB SER A 3 10.439 -40.359 -4.437 1.00 0.00 C ATOM 32 OG SER A 3 9.941 -41.434 -3.677 1.00 0.00 O ATOM 0 H SER A 3 11.574 -42.077 -5.838 1.00 0.00 H new ATOM 0 HA SER A 3 9.060 -40.727 -6.044 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.516 -40.274 -4.291 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.995 -39.426 -4.089 1.00 0.00 H new ATOM 0 HG SER A 3 10.149 -41.290 -2.730 1.00 0.00 H new ATOM 38 N SER A 4 9.632 -38.923 -7.699 1.00 0.00 N ATOM 39 CA SER A 4 9.840 -37.772 -8.586 1.00 0.00 C ATOM 40 C SER A 4 9.285 -36.497 -7.920 1.00 0.00 C ATOM 41 O SER A 4 8.104 -36.170 -8.067 1.00 0.00 O ATOM 42 CB SER A 4 9.173 -38.045 -9.958 1.00 0.00 C ATOM 43 OG SER A 4 9.434 -37.012 -10.889 1.00 0.00 O ATOM 0 H SER A 4 8.759 -39.420 -7.877 1.00 0.00 H new ATOM 0 HA SER A 4 10.905 -37.620 -8.759 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.537 -38.992 -10.356 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.096 -38.148 -9.824 1.00 0.00 H new ATOM 0 HG SER A 4 10.100 -36.397 -10.517 1.00 0.00 H new ATOM 49 N HIS A 5 10.129 -35.833 -7.114 1.00 0.00 N ATOM 50 CA HIS A 5 9.821 -34.542 -6.468 1.00 0.00 C ATOM 51 C HIS A 5 10.904 -33.536 -6.877 1.00 0.00 C ATOM 52 O HIS A 5 11.804 -33.202 -6.104 1.00 0.00 O ATOM 53 CB HIS A 5 9.732 -34.680 -4.915 1.00 0.00 C ATOM 54 CG HIS A 5 8.609 -35.549 -4.413 1.00 0.00 C ATOM 55 ND1 HIS A 5 7.496 -35.048 -3.785 1.00 0.00 N ATOM 56 CD2 HIS A 5 8.447 -36.892 -4.430 1.00 0.00 C ATOM 57 CE1 HIS A 5 6.705 -36.033 -3.439 1.00 0.00 C ATOM 58 NE2 HIS A 5 7.255 -37.167 -3.820 1.00 0.00 N ATOM 0 H HIS A 5 11.060 -36.182 -6.888 1.00 0.00 H new ATOM 0 HA HIS A 5 8.843 -34.192 -6.799 1.00 0.00 H new ATOM 0 HB2 HIS A 5 10.675 -35.084 -4.547 1.00 0.00 H new ATOM 0 HB3 HIS A 5 9.621 -33.685 -4.483 1.00 0.00 H new ATOM 0 HD2 HIS A 5 9.133 -37.614 -4.848 1.00 0.00 H new ATOM 0 HE1 HIS A 5 5.760 -35.932 -2.927 1.00 0.00 H new ATOM 0 HE2 HIS A 5 6.858 -38.096 -3.683 1.00 0.00 H new ATOM 67 N ASP A 6 10.820 -33.086 -8.131 1.00 0.00 N ATOM 68 CA ASP A 6 11.820 -32.191 -8.760 1.00 0.00 C ATOM 69 C ASP A 6 11.112 -31.045 -9.512 1.00 0.00 C ATOM 70 O ASP A 6 11.684 -30.425 -10.421 1.00 0.00 O ATOM 71 CB ASP A 6 12.747 -33.022 -9.703 1.00 0.00 C ATOM 72 CG ASP A 6 11.973 -33.775 -10.802 1.00 0.00 C ATOM 73 OD1 ASP A 6 11.286 -34.769 -10.488 1.00 0.00 O ATOM 74 OD2 ASP A 6 12.026 -33.370 -11.980 1.00 0.00 O ATOM 0 H ASP A 6 10.050 -33.330 -8.754 1.00 0.00 H new ATOM 0 HA ASP A 6 12.444 -31.737 -7.990 1.00 0.00 H new ATOM 0 HB2 ASP A 6 13.472 -32.355 -10.170 1.00 0.00 H new ATOM 0 HB3 ASP A 6 13.311 -33.740 -9.108 1.00 0.00 H new ATOM 79 N HIS A 7 9.875 -30.755 -9.076 1.00 0.00 N ATOM 80 CA HIS A 7 9.030 -29.691 -9.632 1.00 0.00 C ATOM 81 C HIS A 7 9.499 -28.305 -9.118 1.00 0.00 C ATOM 82 O HIS A 7 9.189 -27.910 -7.984 1.00 0.00 O ATOM 83 CB HIS A 7 7.550 -29.979 -9.254 1.00 0.00 C ATOM 84 CG HIS A 7 6.544 -28.989 -9.786 1.00 0.00 C ATOM 85 ND1 HIS A 7 6.066 -29.023 -11.075 1.00 0.00 N ATOM 86 CD2 HIS A 7 5.907 -27.955 -9.183 1.00 0.00 C ATOM 87 CE1 HIS A 7 5.187 -28.063 -11.243 1.00 0.00 C ATOM 88 NE2 HIS A 7 5.072 -27.399 -10.111 1.00 0.00 N ATOM 0 H HIS A 7 9.428 -31.264 -8.313 1.00 0.00 H new ATOM 0 HA HIS A 7 9.114 -29.672 -10.719 1.00 0.00 H new ATOM 0 HB2 HIS A 7 7.286 -30.972 -9.618 1.00 0.00 H new ATOM 0 HB3 HIS A 7 7.469 -30.006 -8.167 1.00 0.00 H new ATOM 0 HD2 HIS A 7 6.035 -27.631 -8.161 1.00 0.00 H new ATOM 0 HE1 HIS A 7 4.649 -27.853 -12.155 1.00 0.00 H new ATOM 0 HE2 HIS A 7 4.459 -26.599 -9.953 1.00 0.00 H new ATOM 97 N HIS A 8 10.293 -27.609 -9.947 1.00 0.00 N ATOM 98 CA HIS A 8 10.797 -26.245 -9.677 1.00 0.00 C ATOM 99 C HIS A 8 10.358 -25.335 -10.837 1.00 0.00 C ATOM 100 O HIS A 8 10.606 -25.675 -12.006 1.00 0.00 O ATOM 101 CB HIS A 8 12.349 -26.281 -9.539 1.00 0.00 C ATOM 102 CG HIS A 8 13.030 -24.968 -9.184 1.00 0.00 C ATOM 103 ND1 HIS A 8 13.735 -24.782 -8.015 1.00 0.00 N ATOM 104 CD2 HIS A 8 13.173 -23.806 -9.878 1.00 0.00 C ATOM 105 CE1 HIS A 8 14.280 -23.583 -8.012 1.00 0.00 C ATOM 106 NE2 HIS A 8 13.960 -22.979 -9.130 1.00 0.00 N ATOM 0 H HIS A 8 10.611 -27.982 -10.842 1.00 0.00 H new ATOM 0 HA HIS A 8 10.390 -25.856 -8.744 1.00 0.00 H new ATOM 0 HB2 HIS A 8 12.607 -27.016 -8.776 1.00 0.00 H new ATOM 0 HB3 HIS A 8 12.767 -26.638 -10.480 1.00 0.00 H new ATOM 0 HD2 HIS A 8 12.743 -23.580 -10.843 1.00 0.00 H new ATOM 0 HE1 HIS A 8 14.888 -23.168 -7.222 1.00 0.00 H new ATOM 0 HE2 HIS A 8 14.253 -22.040 -9.399 1.00 0.00 H new ATOM 115 N HIS A 9 9.712 -24.189 -10.525 1.00 0.00 N ATOM 116 CA HIS A 9 9.237 -23.249 -11.558 1.00 0.00 C ATOM 117 C HIS A 9 10.443 -22.556 -12.246 1.00 0.00 C ATOM 118 O HIS A 9 11.190 -21.792 -11.624 1.00 0.00 O ATOM 119 CB HIS A 9 8.215 -22.213 -10.986 1.00 0.00 C ATOM 120 CG HIS A 9 8.749 -21.208 -9.983 1.00 0.00 C ATOM 121 ND1 HIS A 9 8.875 -21.476 -8.637 1.00 0.00 N ATOM 122 CD2 HIS A 9 9.177 -19.925 -10.141 1.00 0.00 C ATOM 123 CE1 HIS A 9 9.350 -20.416 -8.021 1.00 0.00 C ATOM 124 NE2 HIS A 9 9.537 -19.461 -8.906 1.00 0.00 N ATOM 0 H HIS A 9 9.510 -23.896 -9.569 1.00 0.00 H new ATOM 0 HA HIS A 9 8.697 -23.821 -12.313 1.00 0.00 H new ATOM 0 HB2 HIS A 9 7.785 -21.662 -11.823 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.401 -22.764 -10.515 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.224 -19.376 -11.070 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.553 -20.342 -6.963 1.00 0.00 H new ATOM 0 HE2 HIS A 9 9.893 -18.527 -8.704 1.00 0.00 H new ATOM 133 N HIS A 10 10.671 -22.913 -13.515 1.00 0.00 N ATOM 134 CA HIS A 10 11.689 -22.276 -14.360 1.00 0.00 C ATOM 135 C HIS A 10 11.056 -21.033 -15.025 1.00 0.00 C ATOM 136 O HIS A 10 10.462 -21.123 -16.114 1.00 0.00 O ATOM 137 CB HIS A 10 12.229 -23.302 -15.400 1.00 0.00 C ATOM 138 CG HIS A 10 13.345 -22.791 -16.285 1.00 0.00 C ATOM 139 ND1 HIS A 10 13.448 -23.109 -17.619 1.00 0.00 N ATOM 140 CD2 HIS A 10 14.426 -22.020 -16.006 1.00 0.00 C ATOM 141 CE1 HIS A 10 14.534 -22.560 -18.120 1.00 0.00 C ATOM 142 NE2 HIS A 10 15.146 -21.894 -17.164 1.00 0.00 N ATOM 0 H HIS A 10 10.153 -23.654 -13.987 1.00 0.00 H new ATOM 0 HA HIS A 10 12.545 -21.950 -13.769 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.584 -24.184 -14.867 1.00 0.00 H new ATOM 0 HB3 HIS A 10 11.402 -23.624 -16.033 1.00 0.00 H new ATOM 0 HD2 HIS A 10 14.673 -21.586 -15.048 1.00 0.00 H new ATOM 0 HE1 HIS A 10 14.867 -22.642 -19.144 1.00 0.00 H new ATOM 0 HE2 HIS A 10 16.015 -21.370 -17.269 1.00 0.00 H new ATOM 151 N SER A 11 11.132 -19.888 -14.311 1.00 0.00 N ATOM 152 CA SER A 11 10.557 -18.612 -14.762 1.00 0.00 C ATOM 153 C SER A 11 11.307 -18.105 -16.007 1.00 0.00 C ATOM 154 O SER A 11 12.528 -17.949 -15.986 1.00 0.00 O ATOM 155 CB SER A 11 10.607 -17.584 -13.607 1.00 0.00 C ATOM 156 OG SER A 11 11.923 -17.448 -13.095 1.00 0.00 O ATOM 0 H SER A 11 11.596 -19.828 -13.405 1.00 0.00 H new ATOM 0 HA SER A 11 9.514 -18.756 -15.042 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.251 -16.617 -13.962 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.934 -17.898 -12.809 1.00 0.00 H new ATOM 0 HG SER A 11 12.570 -17.543 -13.825 1.00 0.00 H new ATOM 162 N SER A 12 10.563 -17.901 -17.104 1.00 0.00 N ATOM 163 CA SER A 12 11.115 -17.451 -18.390 1.00 0.00 C ATOM 164 C SER A 12 10.734 -15.980 -18.640 1.00 0.00 C ATOM 165 O SER A 12 9.684 -15.521 -18.164 1.00 0.00 O ATOM 166 CB SER A 12 10.573 -18.361 -19.515 1.00 0.00 C ATOM 167 OG SER A 12 10.815 -19.734 -19.213 1.00 0.00 O ATOM 0 H SER A 12 9.553 -18.045 -17.124 1.00 0.00 H new ATOM 0 HA SER A 12 12.203 -17.518 -18.373 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.503 -18.194 -19.641 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.049 -18.102 -20.461 1.00 0.00 H new ATOM 0 HG SER A 12 10.463 -20.295 -19.936 1.00 0.00 H new ATOM 173 N GLY A 13 11.593 -15.263 -19.392 1.00 0.00 N ATOM 174 CA GLY A 13 11.375 -13.853 -19.729 1.00 0.00 C ATOM 175 C GLY A 13 10.320 -13.688 -20.812 1.00 0.00 C ATOM 176 O GLY A 13 10.644 -13.464 -21.992 1.00 0.00 O ATOM 0 H GLY A 13 12.454 -15.650 -19.779 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.067 -13.309 -18.836 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.313 -13.410 -20.065 1.00 0.00 H new ATOM 180 N ARG A 14 9.050 -13.817 -20.401 1.00 0.00 N ATOM 181 CA ARG A 14 7.879 -13.728 -21.280 1.00 0.00 C ATOM 182 C ARG A 14 6.957 -12.598 -20.801 1.00 0.00 C ATOM 183 O ARG A 14 6.252 -12.748 -19.793 1.00 0.00 O ATOM 184 CB ARG A 14 7.139 -15.103 -21.327 1.00 0.00 C ATOM 185 CG ARG A 14 7.858 -16.190 -22.161 1.00 0.00 C ATOM 186 CD ARG A 14 7.935 -15.808 -23.651 1.00 0.00 C ATOM 187 NE ARG A 14 8.674 -16.798 -24.451 1.00 0.00 N ATOM 188 CZ ARG A 14 8.435 -17.085 -25.743 1.00 0.00 C ATOM 189 NH1 ARG A 14 7.370 -16.591 -26.368 1.00 0.00 N ATOM 190 NH2 ARG A 14 9.237 -17.913 -26.387 1.00 0.00 N ATOM 0 H ARG A 14 8.805 -13.990 -19.426 1.00 0.00 H new ATOM 0 HA ARG A 14 8.197 -13.492 -22.295 1.00 0.00 H new ATOM 0 HB2 ARG A 14 7.013 -15.469 -20.308 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.140 -14.950 -21.736 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.865 -16.341 -21.772 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.330 -17.138 -22.055 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.925 -15.705 -24.049 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.416 -14.835 -23.749 1.00 0.00 H new ATOM 0 HE ARG A 14 9.427 -17.307 -23.989 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.720 -15.985 -25.867 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.203 -16.818 -27.348 1.00 0.00 H new ATOM 0 HH21 ARG A 14 10.033 -18.331 -25.905 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.061 -18.135 -27.367 1.00 0.00 H new ATOM 204 N GLU A 15 7.005 -11.462 -21.535 1.00 0.00 N ATOM 205 CA GLU A 15 6.239 -10.238 -21.221 1.00 0.00 C ATOM 206 C GLU A 15 4.715 -10.487 -21.330 1.00 0.00 C ATOM 207 O GLU A 15 4.154 -10.554 -22.430 1.00 0.00 O ATOM 208 CB GLU A 15 6.699 -9.057 -22.136 1.00 0.00 C ATOM 209 CG GLU A 15 6.707 -9.362 -23.650 1.00 0.00 C ATOM 210 CD GLU A 15 7.036 -8.136 -24.511 1.00 0.00 C ATOM 211 OE1 GLU A 15 8.232 -7.854 -24.738 1.00 0.00 O ATOM 212 OE2 GLU A 15 6.100 -7.438 -24.959 1.00 0.00 O ATOM 0 H GLU A 15 7.583 -11.371 -22.370 1.00 0.00 H new ATOM 0 HA GLU A 15 6.444 -9.960 -20.187 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.045 -8.204 -21.957 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.703 -8.757 -21.837 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.436 -10.146 -23.852 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.731 -9.751 -23.941 1.00 0.00 H new ATOM 219 N ASN A 16 4.081 -10.702 -20.154 1.00 0.00 N ATOM 220 CA ASN A 16 2.614 -10.874 -20.006 1.00 0.00 C ATOM 221 C ASN A 16 2.085 -12.153 -20.703 1.00 0.00 C ATOM 222 O ASN A 16 0.867 -12.357 -20.784 1.00 0.00 O ATOM 223 CB ASN A 16 1.847 -9.602 -20.488 1.00 0.00 C ATOM 224 CG ASN A 16 2.188 -8.343 -19.678 1.00 0.00 C ATOM 225 OD1 ASN A 16 2.465 -8.411 -18.478 1.00 0.00 O ATOM 226 ND2 ASN A 16 2.190 -7.194 -20.334 1.00 0.00 N ATOM 0 H ASN A 16 4.581 -10.762 -19.267 1.00 0.00 H new ATOM 0 HA ASN A 16 2.421 -11.004 -18.941 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.078 -9.423 -21.538 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.775 -9.787 -20.424 1.00 0.00 H new ATOM 0 HD21 ASN A 16 2.426 -6.329 -19.847 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.956 -7.173 -21.327 1.00 0.00 H new ATOM 233 N LEU A 17 3.008 -13.038 -21.144 1.00 0.00 N ATOM 234 CA LEU A 17 2.659 -14.300 -21.824 1.00 0.00 C ATOM 235 C LEU A 17 2.577 -15.436 -20.783 1.00 0.00 C ATOM 236 O LEU A 17 3.296 -16.438 -20.857 1.00 0.00 O ATOM 237 CB LEU A 17 3.686 -14.612 -22.952 1.00 0.00 C ATOM 238 CG LEU A 17 3.808 -13.547 -24.090 1.00 0.00 C ATOM 239 CD1 LEU A 17 4.870 -13.961 -25.133 1.00 0.00 C ATOM 240 CD2 LEU A 17 2.434 -13.274 -24.764 1.00 0.00 C ATOM 0 H LEU A 17 4.012 -12.895 -21.037 1.00 0.00 H new ATOM 0 HA LEU A 17 1.683 -14.206 -22.300 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.668 -14.739 -22.496 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.418 -15.567 -23.404 1.00 0.00 H new ATOM 0 HG LEU A 17 4.139 -12.615 -23.631 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.931 -13.200 -25.911 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.840 -14.060 -24.645 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.589 -14.915 -25.579 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.556 -12.529 -25.550 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.051 -14.198 -25.196 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.730 -12.903 -24.019 1.00 0.00 H new ATOM 252 N TYR A 18 1.704 -15.221 -19.788 1.00 0.00 N ATOM 253 CA TYR A 18 1.375 -16.199 -18.740 1.00 0.00 C ATOM 254 C TYR A 18 -0.076 -15.951 -18.283 1.00 0.00 C ATOM 255 O TYR A 18 -0.345 -15.459 -17.180 1.00 0.00 O ATOM 256 CB TYR A 18 2.416 -16.179 -17.562 1.00 0.00 C ATOM 257 CG TYR A 18 2.766 -14.787 -16.970 1.00 0.00 C ATOM 258 CD1 TYR A 18 3.670 -13.932 -17.614 1.00 0.00 C ATOM 259 CD2 TYR A 18 2.189 -14.328 -15.776 1.00 0.00 C ATOM 260 CE1 TYR A 18 3.983 -12.693 -17.094 1.00 0.00 C ATOM 261 CE2 TYR A 18 2.500 -13.088 -15.257 1.00 0.00 C ATOM 262 CZ TYR A 18 3.392 -12.273 -15.920 1.00 0.00 C ATOM 263 OH TYR A 18 3.699 -11.033 -15.409 1.00 0.00 O ATOM 0 H TYR A 18 1.195 -14.343 -19.687 1.00 0.00 H new ATOM 0 HA TYR A 18 1.442 -17.210 -19.142 1.00 0.00 H new ATOM 0 HB2 TYR A 18 2.032 -16.805 -16.757 1.00 0.00 H new ATOM 0 HB3 TYR A 18 3.338 -16.642 -17.914 1.00 0.00 H new ATOM 0 HD1 TYR A 18 4.132 -14.250 -18.537 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.486 -14.959 -15.252 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.688 -12.054 -17.604 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.046 -12.757 -14.335 1.00 0.00 H new ATOM 0 HH TYR A 18 3.199 -10.888 -14.579 1.00 0.00 H new ATOM 273 N PHE A 19 -1.008 -16.261 -19.201 1.00 0.00 N ATOM 274 CA PHE A 19 -2.454 -16.103 -18.982 1.00 0.00 C ATOM 275 C PHE A 19 -2.941 -17.120 -17.932 1.00 0.00 C ATOM 276 O PHE A 19 -3.763 -16.793 -17.075 1.00 0.00 O ATOM 277 CB PHE A 19 -3.211 -16.282 -20.326 1.00 0.00 C ATOM 278 CG PHE A 19 -4.739 -16.121 -20.235 1.00 0.00 C ATOM 279 CD1 PHE A 19 -5.314 -14.857 -20.098 1.00 0.00 C ATOM 280 CD2 PHE A 19 -5.593 -17.230 -20.282 1.00 0.00 C ATOM 281 CE1 PHE A 19 -6.687 -14.704 -20.011 1.00 0.00 C ATOM 282 CE2 PHE A 19 -6.965 -17.074 -20.192 1.00 0.00 C ATOM 283 CZ PHE A 19 -7.511 -15.812 -20.059 1.00 0.00 C ATOM 0 H PHE A 19 -0.776 -16.631 -20.123 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.658 -15.101 -18.604 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.826 -15.557 -21.043 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.988 -17.272 -20.723 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.678 -13.985 -20.059 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.175 -18.220 -20.390 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.114 -13.718 -19.906 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -7.610 -17.940 -20.226 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.582 -15.691 -19.993 1.00 0.00 H new ATOM 293 N GLN A 20 -2.403 -18.347 -18.002 1.00 0.00 N ATOM 294 CA GLN A 20 -2.753 -19.433 -17.070 1.00 0.00 C ATOM 295 C GLN A 20 -1.505 -20.276 -16.751 1.00 0.00 C ATOM 296 O GLN A 20 -0.689 -20.550 -17.632 1.00 0.00 O ATOM 297 CB GLN A 20 -3.878 -20.312 -17.676 1.00 0.00 C ATOM 298 CG GLN A 20 -4.432 -21.391 -16.726 1.00 0.00 C ATOM 299 CD GLN A 20 -5.558 -22.213 -17.352 1.00 0.00 C ATOM 300 OE1 GLN A 20 -5.322 -23.261 -17.951 1.00 0.00 O ATOM 301 NE2 GLN A 20 -6.779 -21.722 -17.252 1.00 0.00 N ATOM 0 H GLN A 20 -1.714 -18.615 -18.705 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.121 -19.003 -16.139 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.698 -19.665 -17.987 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.497 -20.798 -18.574 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.622 -22.059 -16.431 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.799 -20.914 -15.817 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.938 -20.850 -16.747 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.563 -22.215 -17.679 1.00 0.00 H new ATOM 310 N GLY A 21 -1.373 -20.661 -15.479 1.00 0.00 N ATOM 311 CA GLY A 21 -0.255 -21.460 -14.991 1.00 0.00 C ATOM 312 C GLY A 21 -0.134 -21.301 -13.488 1.00 0.00 C ATOM 313 O GLY A 21 -0.599 -22.157 -12.728 1.00 0.00 O ATOM 0 H GLY A 21 -2.049 -20.422 -14.754 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.407 -22.509 -15.245 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.669 -21.145 -15.476 1.00 0.00 H new ATOM 317 N HIS A 22 0.462 -20.164 -13.073 1.00 0.00 N ATOM 318 CA HIS A 22 0.547 -19.732 -11.663 1.00 0.00 C ATOM 319 C HIS A 22 1.002 -18.260 -11.619 1.00 0.00 C ATOM 320 O HIS A 22 2.027 -17.897 -12.222 1.00 0.00 O ATOM 321 CB HIS A 22 1.498 -20.650 -10.823 1.00 0.00 C ATOM 322 CG HIS A 22 2.958 -20.615 -11.222 1.00 0.00 C ATOM 323 ND1 HIS A 22 3.944 -20.088 -10.422 1.00 0.00 N ATOM 324 CD2 HIS A 22 3.590 -21.052 -12.341 1.00 0.00 C ATOM 325 CE1 HIS A 22 5.107 -20.192 -11.024 1.00 0.00 C ATOM 326 NE2 HIS A 22 4.925 -20.774 -12.189 1.00 0.00 N ATOM 0 H HIS A 22 0.905 -19.510 -13.719 1.00 0.00 H new ATOM 0 HA HIS A 22 -0.439 -19.821 -11.208 1.00 0.00 H new ATOM 0 HB2 HIS A 22 1.419 -20.363 -9.775 1.00 0.00 H new ATOM 0 HB3 HIS A 22 1.143 -21.678 -10.899 1.00 0.00 H new ATOM 0 HD2 HIS A 22 3.128 -21.530 -13.192 1.00 0.00 H new ATOM 0 HE1 HIS A 22 6.054 -19.856 -10.628 1.00 0.00 H new ATOM 0 HE2 HIS A 22 5.656 -20.984 -12.868 1.00 0.00 H new ATOM 335 N MET A 23 0.205 -17.407 -10.959 1.00 0.00 N ATOM 336 CA MET A 23 0.518 -15.977 -10.786 1.00 0.00 C ATOM 337 C MET A 23 1.401 -15.798 -9.531 1.00 0.00 C ATOM 338 O MET A 23 1.223 -16.550 -8.564 1.00 0.00 O ATOM 339 CB MET A 23 -0.789 -15.145 -10.658 1.00 0.00 C ATOM 340 CG MET A 23 -1.667 -15.110 -11.921 1.00 0.00 C ATOM 341 SD MET A 23 -2.317 -16.737 -12.377 1.00 0.00 S ATOM 342 CE MET A 23 -3.309 -16.345 -13.819 1.00 0.00 C ATOM 0 H MET A 23 -0.676 -17.688 -10.529 1.00 0.00 H new ATOM 0 HA MET A 23 1.060 -15.618 -11.661 1.00 0.00 H new ATOM 0 HB2 MET A 23 -1.379 -15.549 -9.835 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.525 -14.122 -10.389 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.499 -14.425 -11.759 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.084 -14.712 -12.751 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.768 -17.256 -14.203 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.088 -15.635 -13.543 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.674 -15.906 -14.589 1.00 0.00 H new ATOM 352 N PRO A 24 2.378 -14.823 -9.533 1.00 0.00 N ATOM 353 CA PRO A 24 3.267 -14.554 -8.364 1.00 0.00 C ATOM 354 C PRO A 24 2.481 -14.325 -7.047 1.00 0.00 C ATOM 355 O PRO A 24 1.553 -13.519 -7.014 1.00 0.00 O ATOM 356 CB PRO A 24 4.042 -13.274 -8.788 1.00 0.00 C ATOM 357 CG PRO A 24 4.056 -13.330 -10.287 1.00 0.00 C ATOM 358 CD PRO A 24 2.711 -13.915 -10.674 1.00 0.00 C ATOM 0 HA PRO A 24 3.915 -15.402 -8.143 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.547 -12.372 -8.428 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.053 -13.268 -8.381 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.193 -12.338 -10.717 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.875 -13.951 -10.651 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.958 -13.138 -10.800 1.00 0.00 H new ATOM 0 HD3 PRO A 24 2.768 -14.460 -11.616 1.00 0.00 H new ATOM 366 N ASN A 25 2.845 -15.062 -5.980 1.00 0.00 N ATOM 367 CA ASN A 25 2.214 -14.927 -4.641 1.00 0.00 C ATOM 368 C ASN A 25 3.139 -14.131 -3.684 1.00 0.00 C ATOM 369 O ASN A 25 3.023 -14.222 -2.454 1.00 0.00 O ATOM 370 CB ASN A 25 1.872 -16.348 -4.065 1.00 0.00 C ATOM 371 CG ASN A 25 3.076 -17.200 -3.568 1.00 0.00 C ATOM 372 OD1 ASN A 25 4.255 -17.075 -4.175 1.00 0.00 O flip ATOM 373 ND2 ASN A 25 2.927 -17.978 -2.631 1.00 0.00 N flip ATOM 0 H ASN A 25 3.581 -15.767 -6.015 1.00 0.00 H new ATOM 0 HA ASN A 25 1.283 -14.368 -4.737 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.177 -16.222 -3.235 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.349 -16.913 -4.837 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.017 -18.062 -2.177 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.713 -18.541 -2.306 1.00 0.00 H new ATOM 380 N ASP A 26 4.028 -13.320 -4.284 1.00 0.00 N ATOM 381 CA ASP A 26 5.092 -12.581 -3.580 1.00 0.00 C ATOM 382 C ASP A 26 4.548 -11.260 -2.988 1.00 0.00 C ATOM 383 O ASP A 26 3.431 -10.837 -3.322 1.00 0.00 O ATOM 384 CB ASP A 26 6.249 -12.321 -4.586 1.00 0.00 C ATOM 385 CG ASP A 26 7.530 -11.793 -3.924 1.00 0.00 C ATOM 386 OD1 ASP A 26 8.284 -12.605 -3.356 1.00 0.00 O ATOM 387 OD2 ASP A 26 7.770 -10.570 -3.939 1.00 0.00 O ATOM 0 H ASP A 26 4.027 -13.156 -5.291 1.00 0.00 H new ATOM 0 HA ASP A 26 5.465 -13.169 -2.741 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.477 -13.248 -5.112 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.914 -11.603 -5.335 1.00 0.00 H new ATOM 392 N MET A 27 5.354 -10.624 -2.103 1.00 0.00 N ATOM 393 CA MET A 27 5.028 -9.324 -1.471 1.00 0.00 C ATOM 394 C MET A 27 4.856 -8.208 -2.517 1.00 0.00 C ATOM 395 O MET A 27 4.103 -7.257 -2.286 1.00 0.00 O ATOM 396 CB MET A 27 6.119 -8.920 -0.432 1.00 0.00 C ATOM 397 CG MET A 27 7.529 -8.683 -1.013 1.00 0.00 C ATOM 398 SD MET A 27 8.689 -7.979 0.190 1.00 0.00 S ATOM 399 CE MET A 27 7.950 -6.377 0.532 1.00 0.00 C ATOM 0 H MET A 27 6.254 -11.002 -1.807 1.00 0.00 H new ATOM 0 HA MET A 27 4.077 -9.450 -0.953 1.00 0.00 H new ATOM 0 HB2 MET A 27 5.795 -8.011 0.075 1.00 0.00 H new ATOM 0 HB3 MET A 27 6.183 -9.701 0.325 1.00 0.00 H new ATOM 0 HG2 MET A 27 7.927 -9.629 -1.381 1.00 0.00 H new ATOM 0 HG3 MET A 27 7.454 -8.014 -1.870 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.703 -5.712 0.955 1.00 0.00 H new ATOM 0 HE2 MET A 27 7.566 -5.949 -0.394 1.00 0.00 H new ATOM 0 HE3 MET A 27 7.133 -6.498 1.243 1.00 0.00 H new ATOM 409 N GLU A 28 5.557 -8.348 -3.670 1.00 0.00 N ATOM 410 CA GLU A 28 5.430 -7.427 -4.811 1.00 0.00 C ATOM 411 C GLU A 28 3.987 -7.411 -5.330 1.00 0.00 C ATOM 412 O GLU A 28 3.360 -6.345 -5.459 1.00 0.00 O ATOM 413 CB GLU A 28 6.378 -7.824 -5.971 1.00 0.00 C ATOM 414 CG GLU A 28 7.886 -7.697 -5.678 1.00 0.00 C ATOM 415 CD GLU A 28 8.747 -8.083 -6.895 1.00 0.00 C ATOM 416 OE1 GLU A 28 8.912 -9.292 -7.166 1.00 0.00 O ATOM 417 OE2 GLU A 28 9.256 -7.185 -7.604 1.00 0.00 O ATOM 0 H GLU A 28 6.224 -9.104 -3.828 1.00 0.00 H new ATOM 0 HA GLU A 28 5.707 -6.434 -4.456 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.167 -8.856 -6.250 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.142 -7.205 -6.836 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.113 -6.672 -5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.146 -8.335 -4.834 1.00 0.00 H new ATOM 424 N ASP A 29 3.484 -8.622 -5.616 1.00 0.00 N ATOM 425 CA ASP A 29 2.131 -8.818 -6.141 1.00 0.00 C ATOM 426 C ASP A 29 1.094 -8.406 -5.097 1.00 0.00 C ATOM 427 O ASP A 29 0.053 -7.883 -5.448 1.00 0.00 O ATOM 428 CB ASP A 29 1.924 -10.291 -6.557 1.00 0.00 C ATOM 429 CG ASP A 29 0.556 -10.547 -7.237 1.00 0.00 C ATOM 430 OD1 ASP A 29 -0.446 -10.799 -6.524 1.00 0.00 O ATOM 431 OD2 ASP A 29 0.470 -10.493 -8.486 1.00 0.00 O ATOM 0 H ASP A 29 4.006 -9.489 -5.489 1.00 0.00 H new ATOM 0 HA ASP A 29 2.004 -8.190 -7.023 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.722 -10.585 -7.239 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.009 -10.926 -5.675 1.00 0.00 H new ATOM 436 N HIS A 30 1.412 -8.647 -3.804 1.00 0.00 N ATOM 437 CA HIS A 30 0.536 -8.285 -2.669 1.00 0.00 C ATOM 438 C HIS A 30 0.347 -6.757 -2.553 1.00 0.00 C ATOM 439 O HIS A 30 -0.748 -6.304 -2.238 1.00 0.00 O ATOM 440 CB HIS A 30 1.075 -8.875 -1.338 1.00 0.00 C ATOM 441 CG HIS A 30 0.778 -10.335 -1.130 1.00 0.00 C ATOM 442 ND1 HIS A 30 1.741 -11.273 -0.839 1.00 0.00 N ATOM 443 CD2 HIS A 30 -0.402 -11.001 -1.115 1.00 0.00 C ATOM 444 CE1 HIS A 30 1.167 -12.442 -0.660 1.00 0.00 C ATOM 445 NE2 HIS A 30 -0.130 -12.306 -0.818 1.00 0.00 N ATOM 0 H HIS A 30 2.282 -9.097 -3.520 1.00 0.00 H new ATOM 0 HA HIS A 30 -0.443 -8.722 -2.867 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.155 -8.730 -1.303 1.00 0.00 H new ATOM 0 HB3 HIS A 30 0.650 -8.310 -0.508 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -1.378 -10.578 -1.303 1.00 0.00 H new ATOM 0 HE1 HIS A 30 1.678 -13.363 -0.422 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -0.820 -13.052 -0.733 1.00 0.00 H new ATOM 454 N LEU A 31 1.420 -5.980 -2.812 1.00 0.00 N ATOM 455 CA LEU A 31 1.348 -4.498 -2.836 1.00 0.00 C ATOM 456 C LEU A 31 0.533 -4.005 -4.043 1.00 0.00 C ATOM 457 O LEU A 31 -0.260 -3.060 -3.938 1.00 0.00 O ATOM 458 CB LEU A 31 2.773 -3.866 -2.825 1.00 0.00 C ATOM 459 CG LEU A 31 3.514 -3.912 -1.444 1.00 0.00 C ATOM 460 CD1 LEU A 31 4.970 -3.404 -1.549 1.00 0.00 C ATOM 461 CD2 LEU A 31 2.724 -3.124 -0.369 1.00 0.00 C ATOM 0 H LEU A 31 2.349 -6.352 -3.008 1.00 0.00 H new ATOM 0 HA LEU A 31 0.834 -4.174 -1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.386 -4.380 -3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.694 -2.826 -3.142 1.00 0.00 H new ATOM 0 HG LEU A 31 3.563 -4.957 -1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.444 -3.454 -0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.523 -4.027 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.971 -2.372 -1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.257 -3.170 0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.625 -2.084 -0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.733 -3.563 -0.251 1.00 0.00 H new ATOM 473 N LEU A 32 0.711 -4.687 -5.173 1.00 0.00 N ATOM 474 CA LEU A 32 0.003 -4.383 -6.427 1.00 0.00 C ATOM 475 C LEU A 32 -1.512 -4.708 -6.274 1.00 0.00 C ATOM 476 O LEU A 32 -2.389 -3.968 -6.753 1.00 0.00 O ATOM 477 CB LEU A 32 0.663 -5.206 -7.584 1.00 0.00 C ATOM 478 CG LEU A 32 0.790 -4.487 -8.964 1.00 0.00 C ATOM 479 CD1 LEU A 32 1.721 -3.248 -8.865 1.00 0.00 C ATOM 480 CD2 LEU A 32 1.274 -5.466 -10.070 1.00 0.00 C ATOM 0 H LEU A 32 1.355 -5.474 -5.250 1.00 0.00 H new ATOM 0 HA LEU A 32 0.082 -3.322 -6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.660 -5.507 -7.263 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.085 -6.119 -7.727 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.203 -4.137 -9.247 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.791 -2.767 -9.840 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.313 -2.543 -8.141 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.714 -3.564 -8.544 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.352 -4.934 -11.018 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.250 -5.868 -9.798 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.560 -6.283 -10.170 1.00 0.00 H new ATOM 492 N THR A 33 -1.780 -5.804 -5.542 1.00 0.00 N ATOM 493 CA THR A 33 -3.129 -6.331 -5.289 1.00 0.00 C ATOM 494 C THR A 33 -3.861 -5.484 -4.235 1.00 0.00 C ATOM 495 O THR A 33 -5.060 -5.256 -4.367 1.00 0.00 O ATOM 496 CB THR A 33 -3.074 -7.840 -4.826 1.00 0.00 C ATOM 497 OG1 THR A 33 -2.596 -8.669 -5.904 1.00 0.00 O ATOM 498 CG2 THR A 33 -4.439 -8.388 -4.347 1.00 0.00 C ATOM 0 H THR A 33 -1.047 -6.359 -5.101 1.00 0.00 H new ATOM 0 HA THR A 33 -3.683 -6.277 -6.226 1.00 0.00 H new ATOM 0 HB THR A 33 -2.393 -7.870 -3.975 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.623 -8.580 -5.978 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.327 -9.429 -4.044 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.790 -7.799 -3.500 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.163 -8.322 -5.159 1.00 0.00 H new ATOM 506 N VAL A 34 -3.137 -5.000 -3.203 1.00 0.00 N ATOM 507 CA VAL A 34 -3.770 -4.248 -2.100 1.00 0.00 C ATOM 508 C VAL A 34 -4.272 -2.880 -2.595 1.00 0.00 C ATOM 509 O VAL A 34 -5.333 -2.411 -2.174 1.00 0.00 O ATOM 510 CB VAL A 34 -2.838 -4.089 -0.834 1.00 0.00 C ATOM 511 CG1 VAL A 34 -1.599 -3.211 -1.094 1.00 0.00 C ATOM 512 CG2 VAL A 34 -3.644 -3.555 0.359 1.00 0.00 C ATOM 0 H VAL A 34 -2.128 -5.115 -3.111 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.624 -4.841 -1.771 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.460 -5.084 -0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.003 -3.144 -0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.999 -3.655 -1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.917 -2.212 -1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.988 -3.451 1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.068 -2.583 0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.448 -4.251 0.596 1.00 0.00 H new ATOM 522 N LEU A 35 -3.516 -2.273 -3.531 1.00 0.00 N ATOM 523 CA LEU A 35 -3.935 -1.035 -4.210 1.00 0.00 C ATOM 524 C LEU A 35 -5.148 -1.301 -5.117 1.00 0.00 C ATOM 525 O LEU A 35 -6.061 -0.479 -5.195 1.00 0.00 O ATOM 526 CB LEU A 35 -2.764 -0.456 -5.036 1.00 0.00 C ATOM 527 CG LEU A 35 -1.486 -0.066 -4.244 1.00 0.00 C ATOM 528 CD1 LEU A 35 -0.396 0.465 -5.194 1.00 0.00 C ATOM 529 CD2 LEU A 35 -1.791 0.946 -3.115 1.00 0.00 C ATOM 0 H LEU A 35 -2.607 -2.624 -3.834 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.224 -0.306 -3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.486 -1.188 -5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.122 0.428 -5.563 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.109 -0.969 -3.765 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.490 0.732 -4.618 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.138 -0.307 -5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.767 1.346 -5.718 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.869 1.191 -2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.215 1.853 -3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.504 0.508 -2.416 1.00 0.00 H new ATOM 541 N SER A 36 -5.129 -2.462 -5.801 1.00 0.00 N ATOM 542 CA SER A 36 -6.210 -2.896 -6.706 1.00 0.00 C ATOM 543 C SER A 36 -7.557 -3.022 -5.967 1.00 0.00 C ATOM 544 O SER A 36 -8.564 -2.430 -6.376 1.00 0.00 O ATOM 545 CB SER A 36 -5.813 -4.240 -7.368 1.00 0.00 C ATOM 546 OG SER A 36 -6.787 -4.706 -8.277 1.00 0.00 O ATOM 0 H SER A 36 -4.359 -3.128 -5.740 1.00 0.00 H new ATOM 0 HA SER A 36 -6.343 -2.138 -7.477 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.864 -4.117 -7.890 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.656 -4.990 -6.593 1.00 0.00 H new ATOM 0 HG SER A 36 -7.413 -3.981 -8.486 1.00 0.00 H new ATOM 552 N VAL A 37 -7.531 -3.764 -4.852 1.00 0.00 N ATOM 553 CA VAL A 37 -8.725 -4.101 -4.061 1.00 0.00 C ATOM 554 C VAL A 37 -9.271 -2.866 -3.315 1.00 0.00 C ATOM 555 O VAL A 37 -10.480 -2.607 -3.345 1.00 0.00 O ATOM 556 CB VAL A 37 -8.396 -5.272 -3.053 1.00 0.00 C ATOM 557 CG1 VAL A 37 -9.559 -5.550 -2.069 1.00 0.00 C ATOM 558 CG2 VAL A 37 -8.006 -6.560 -3.828 1.00 0.00 C ATOM 0 H VAL A 37 -6.670 -4.153 -4.468 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.504 -4.438 -4.744 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.546 -4.951 -2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.282 -6.363 -1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.764 -4.652 -1.486 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.451 -5.830 -2.630 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.782 -7.357 -3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -8.834 -6.865 -4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.127 -6.363 -4.442 1.00 0.00 H new ATOM 568 N ALA A 38 -8.366 -2.102 -2.672 1.00 0.00 N ATOM 569 CA ALA A 38 -8.739 -0.935 -1.843 1.00 0.00 C ATOM 570 C ALA A 38 -9.317 0.214 -2.703 1.00 0.00 C ATOM 571 O ALA A 38 -10.241 0.911 -2.270 1.00 0.00 O ATOM 572 CB ALA A 38 -7.528 -0.457 -1.015 1.00 0.00 C ATOM 0 H ALA A 38 -7.361 -2.274 -2.711 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.525 -1.247 -1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.817 0.402 -0.410 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.192 -1.263 -0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.718 -0.172 -1.686 1.00 0.00 H new ATOM 578 N SER A 39 -8.768 0.396 -3.924 1.00 0.00 N ATOM 579 CA SER A 39 -9.235 1.440 -4.872 1.00 0.00 C ATOM 580 C SER A 39 -10.423 0.943 -5.729 1.00 0.00 C ATOM 581 O SER A 39 -11.114 1.750 -6.353 1.00 0.00 O ATOM 582 CB SER A 39 -8.066 1.883 -5.778 1.00 0.00 C ATOM 583 OG SER A 39 -6.965 2.321 -5.002 1.00 0.00 O ATOM 0 H SER A 39 -7.997 -0.168 -4.281 1.00 0.00 H new ATOM 0 HA SER A 39 -9.586 2.293 -4.291 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.760 1.054 -6.416 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.395 2.687 -6.437 1.00 0.00 H new ATOM 0 HG SER A 39 -6.353 1.571 -4.849 1.00 0.00 H new ATOM 589 N GLY A 40 -10.644 -0.391 -5.755 1.00 0.00 N ATOM 590 CA GLY A 40 -11.737 -1.003 -6.532 1.00 0.00 C ATOM 591 C GLY A 40 -11.417 -1.154 -8.020 1.00 0.00 C ATOM 592 O GLY A 40 -12.281 -1.544 -8.811 1.00 0.00 O ATOM 0 H GLY A 40 -10.074 -1.064 -5.243 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.963 -1.985 -6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.635 -0.396 -6.421 1.00 0.00 H new ATOM 596 N VAL A 41 -10.164 -0.850 -8.386 1.00 0.00 N ATOM 597 CA VAL A 41 -9.657 -0.887 -9.768 1.00 0.00 C ATOM 598 C VAL A 41 -9.115 -2.291 -10.122 1.00 0.00 C ATOM 599 O VAL A 41 -8.879 -3.098 -9.227 1.00 0.00 O ATOM 600 CB VAL A 41 -8.505 0.176 -9.951 1.00 0.00 C ATOM 601 CG1 VAL A 41 -9.014 1.619 -9.756 1.00 0.00 C ATOM 602 CG2 VAL A 41 -7.312 -0.128 -9.010 1.00 0.00 C ATOM 0 H VAL A 41 -9.454 -0.564 -7.712 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.485 -0.651 -10.436 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.154 0.096 -10.980 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.188 2.317 -9.891 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.793 1.832 -10.488 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.421 1.728 -8.751 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.533 0.620 -9.157 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.650 -0.101 -7.974 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.913 -1.117 -9.236 1.00 0.00 H new ATOM 612 N PRO A 42 -8.964 -2.621 -11.440 1.00 0.00 N ATOM 613 CA PRO A 42 -8.122 -3.757 -11.883 1.00 0.00 C ATOM 614 C PRO A 42 -6.638 -3.546 -11.491 1.00 0.00 C ATOM 615 O PRO A 42 -6.154 -2.407 -11.441 1.00 0.00 O ATOM 616 CB PRO A 42 -8.286 -3.768 -13.434 1.00 0.00 C ATOM 617 CG PRO A 42 -9.554 -3.007 -13.689 1.00 0.00 C ATOM 618 CD PRO A 42 -9.648 -1.971 -12.586 1.00 0.00 C ATOM 0 HA PRO A 42 -8.420 -4.697 -11.419 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.435 -3.296 -13.925 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.351 -4.786 -13.818 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.534 -2.532 -14.670 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.418 -3.672 -13.675 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.159 -1.039 -12.869 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.684 -1.729 -12.350 1.00 0.00 H new ATOM 626 N LYS A 43 -5.926 -4.653 -11.234 1.00 0.00 N ATOM 627 CA LYS A 43 -4.470 -4.637 -10.962 1.00 0.00 C ATOM 628 C LYS A 43 -3.681 -4.287 -12.248 1.00 0.00 C ATOM 629 O LYS A 43 -2.522 -3.870 -12.183 1.00 0.00 O ATOM 630 CB LYS A 43 -4.047 -6.005 -10.359 1.00 0.00 C ATOM 631 CG LYS A 43 -2.561 -6.108 -9.922 1.00 0.00 C ATOM 632 CD LYS A 43 -2.271 -7.316 -8.985 1.00 0.00 C ATOM 633 CE LYS A 43 -2.598 -8.678 -9.610 1.00 0.00 C ATOM 634 NZ LYS A 43 -2.443 -9.775 -8.619 1.00 0.00 N ATOM 0 H LYS A 43 -6.337 -5.586 -11.207 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.235 -3.862 -10.233 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.678 -6.213 -9.495 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.247 -6.785 -11.094 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.934 -6.189 -10.810 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.276 -5.187 -9.413 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.218 -7.300 -8.702 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.849 -7.199 -8.068 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.619 -8.670 -9.991 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.941 -8.858 -10.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.172 -10.498 -8.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.501 -10.204 -8.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.548 -9.392 -7.658 1.00 0.00 H new ATOM 648 N GLU A 44 -4.351 -4.462 -13.407 1.00 0.00 N ATOM 649 CA GLU A 44 -3.839 -4.046 -14.735 1.00 0.00 C ATOM 650 C GLU A 44 -3.533 -2.529 -14.808 1.00 0.00 C ATOM 651 O GLU A 44 -2.671 -2.107 -15.592 1.00 0.00 O ATOM 652 CB GLU A 44 -4.868 -4.416 -15.831 1.00 0.00 C ATOM 653 CG GLU A 44 -5.139 -5.927 -15.959 1.00 0.00 C ATOM 654 CD GLU A 44 -6.180 -6.258 -17.035 1.00 0.00 C ATOM 655 OE1 GLU A 44 -5.812 -6.370 -18.225 1.00 0.00 O ATOM 656 OE2 GLU A 44 -7.378 -6.392 -16.703 1.00 0.00 O ATOM 0 H GLU A 44 -5.271 -4.900 -13.450 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.901 -4.577 -14.897 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.808 -3.907 -15.618 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.512 -4.040 -16.790 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.206 -6.440 -16.193 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.482 -6.312 -14.999 1.00 0.00 H new ATOM 663 N GLU A 45 -4.247 -1.731 -13.989 1.00 0.00 N ATOM 664 CA GLU A 45 -4.075 -0.262 -13.911 1.00 0.00 C ATOM 665 C GLU A 45 -2.762 0.115 -13.195 1.00 0.00 C ATOM 666 O GLU A 45 -2.279 1.246 -13.308 1.00 0.00 O ATOM 667 CB GLU A 45 -5.283 0.392 -13.165 1.00 0.00 C ATOM 668 CG GLU A 45 -6.672 0.019 -13.723 1.00 0.00 C ATOM 669 CD GLU A 45 -6.829 0.324 -15.220 1.00 0.00 C ATOM 670 OE1 GLU A 45 -7.093 1.494 -15.580 1.00 0.00 O ATOM 671 OE2 GLU A 45 -6.688 -0.605 -16.051 1.00 0.00 O ATOM 0 H GLU A 45 -4.965 -2.088 -13.358 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.032 0.116 -14.932 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.241 0.105 -12.114 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.171 1.476 -13.204 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.850 -1.043 -13.555 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.437 0.561 -13.167 1.00 0.00 H new ATOM 678 N ILE A 46 -2.186 -0.861 -12.468 1.00 0.00 N ATOM 679 CA ILE A 46 -1.096 -0.627 -11.505 1.00 0.00 C ATOM 680 C ILE A 46 0.167 -1.424 -11.892 1.00 0.00 C ATOM 681 O ILE A 46 0.118 -2.644 -12.070 1.00 0.00 O ATOM 682 CB ILE A 46 -1.543 -1.053 -10.048 1.00 0.00 C ATOM 683 CG1 ILE A 46 -3.024 -0.639 -9.784 1.00 0.00 C ATOM 684 CG2 ILE A 46 -0.601 -0.443 -8.972 1.00 0.00 C ATOM 685 CD1 ILE A 46 -3.591 -1.092 -8.466 1.00 0.00 C ATOM 0 H ILE A 46 -2.466 -1.840 -12.534 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.866 0.438 -11.523 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.472 -2.138 -9.978 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.096 0.447 -9.838 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.645 -1.040 -10.585 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.932 -0.753 -7.981 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.418 -0.793 -9.140 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.627 0.645 -9.040 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.624 -0.755 -8.379 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.559 -2.180 -8.411 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.002 -0.670 -7.652 1.00 0.00 H new ATOM 697 N SER A 47 1.284 -0.709 -12.024 1.00 0.00 N ATOM 698 CA SER A 47 2.632 -1.287 -12.157 1.00 0.00 C ATOM 699 C SER A 47 3.528 -0.665 -11.069 1.00 0.00 C ATOM 700 O SER A 47 3.074 0.205 -10.308 1.00 0.00 O ATOM 701 CB SER A 47 3.192 -1.028 -13.582 1.00 0.00 C ATOM 702 OG SER A 47 4.458 -1.644 -13.773 1.00 0.00 O ATOM 0 H SER A 47 1.283 0.311 -12.042 1.00 0.00 H new ATOM 0 HA SER A 47 2.602 -2.368 -12.021 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.488 -1.407 -14.323 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.282 0.046 -13.747 1.00 0.00 H new ATOM 0 HG SER A 47 5.131 -0.957 -13.961 1.00 0.00 H new ATOM 708 N ARG A 48 4.790 -1.114 -10.990 1.00 0.00 N ATOM 709 CA ARG A 48 5.749 -0.616 -9.984 1.00 0.00 C ATOM 710 C ARG A 48 6.132 0.851 -10.265 1.00 0.00 C ATOM 711 O ARG A 48 6.226 1.659 -9.350 1.00 0.00 O ATOM 712 CB ARG A 48 7.008 -1.527 -9.919 1.00 0.00 C ATOM 713 CG ARG A 48 7.850 -1.594 -11.217 1.00 0.00 C ATOM 714 CD ARG A 48 8.980 -2.640 -11.149 1.00 0.00 C ATOM 715 NE ARG A 48 8.452 -4.024 -11.157 1.00 0.00 N ATOM 716 CZ ARG A 48 8.572 -4.926 -10.162 1.00 0.00 C ATOM 717 NH1 ARG A 48 9.118 -4.596 -8.999 1.00 0.00 N ATOM 718 NH2 ARG A 48 8.102 -6.146 -10.332 1.00 0.00 N ATOM 0 H ARG A 48 5.174 -1.825 -11.613 1.00 0.00 H new ATOM 0 HA ARG A 48 5.264 -0.650 -9.008 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.648 -1.176 -9.109 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.691 -2.537 -9.660 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.195 -1.829 -12.056 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.282 -0.613 -11.414 1.00 0.00 H new ATOM 0 HD2 ARG A 48 9.653 -2.503 -11.995 1.00 0.00 H new ATOM 0 HD3 ARG A 48 9.568 -2.481 -10.245 1.00 0.00 H new ATOM 0 HE ARG A 48 7.951 -4.323 -11.994 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.456 -3.646 -8.845 1.00 0.00 H new ATOM 0 HH12 ARG A 48 9.200 -5.292 -8.258 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.652 -6.401 -11.211 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.189 -6.835 -9.585 1.00 0.00 H new ATOM 732 N ASP A 49 6.293 1.177 -11.553 1.00 0.00 N ATOM 733 CA ASP A 49 6.697 2.525 -12.018 1.00 0.00 C ATOM 734 C ASP A 49 5.492 3.480 -12.140 1.00 0.00 C ATOM 735 O ASP A 49 5.667 4.666 -12.436 1.00 0.00 O ATOM 736 CB ASP A 49 7.449 2.402 -13.370 1.00 0.00 C ATOM 737 CG ASP A 49 6.642 1.660 -14.455 1.00 0.00 C ATOM 738 OD1 ASP A 49 6.577 0.406 -14.401 1.00 0.00 O ATOM 739 OD2 ASP A 49 6.073 2.307 -15.357 1.00 0.00 O ATOM 0 H ASP A 49 6.147 0.513 -12.314 1.00 0.00 H new ATOM 0 HA ASP A 49 7.364 2.958 -11.272 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.697 3.400 -13.731 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.391 1.879 -13.207 1.00 0.00 H new ATOM 744 N SER A 50 4.275 2.955 -11.893 1.00 0.00 N ATOM 745 CA SER A 50 3.029 3.745 -11.938 1.00 0.00 C ATOM 746 C SER A 50 2.910 4.704 -10.737 1.00 0.00 C ATOM 747 O SER A 50 3.635 4.566 -9.740 1.00 0.00 O ATOM 748 CB SER A 50 1.808 2.801 -11.981 1.00 0.00 C ATOM 749 OG SER A 50 1.842 1.957 -13.114 1.00 0.00 O ATOM 0 H SER A 50 4.129 1.973 -11.657 1.00 0.00 H new ATOM 0 HA SER A 50 3.057 4.352 -12.843 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.784 2.195 -11.076 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.892 3.391 -11.994 1.00 0.00 H new ATOM 0 HG SER A 50 0.926 1.739 -13.387 1.00 0.00 H new ATOM 755 N ARG A 51 1.987 5.681 -10.849 1.00 0.00 N ATOM 756 CA ARG A 51 1.644 6.593 -9.742 1.00 0.00 C ATOM 757 C ARG A 51 0.223 6.296 -9.223 1.00 0.00 C ATOM 758 O ARG A 51 -0.727 6.129 -10.002 1.00 0.00 O ATOM 759 CB ARG A 51 1.805 8.111 -10.113 1.00 0.00 C ATOM 760 CG ARG A 51 0.874 8.676 -11.224 1.00 0.00 C ATOM 761 CD ARG A 51 1.279 8.236 -12.642 1.00 0.00 C ATOM 762 NE ARG A 51 0.371 8.777 -13.673 1.00 0.00 N ATOM 763 CZ ARG A 51 0.236 8.287 -14.915 1.00 0.00 C ATOM 764 NH1 ARG A 51 0.945 7.243 -15.323 1.00 0.00 N ATOM 765 NH2 ARG A 51 -0.617 8.853 -15.750 1.00 0.00 N ATOM 0 H ARG A 51 1.462 5.858 -11.705 1.00 0.00 H new ATOM 0 HA ARG A 51 2.363 6.403 -8.945 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.646 8.698 -9.209 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.837 8.275 -10.422 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.149 8.353 -11.030 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.880 9.765 -11.174 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.297 8.567 -12.847 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.281 7.147 -12.696 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.198 9.586 -13.422 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.608 6.797 -14.689 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.827 6.886 -16.271 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.168 9.657 -15.449 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.725 8.486 -16.696 1.00 0.00 H new ATOM 779 N MET A 52 0.114 6.198 -7.886 1.00 0.00 N ATOM 780 CA MET A 52 -1.167 6.092 -7.172 1.00 0.00 C ATOM 781 C MET A 52 -1.792 7.514 -7.031 1.00 0.00 C ATOM 782 O MET A 52 -1.884 8.094 -5.936 1.00 0.00 O ATOM 783 CB MET A 52 -0.960 5.366 -5.793 1.00 0.00 C ATOM 784 CG MET A 52 0.026 6.048 -4.815 1.00 0.00 C ATOM 785 SD MET A 52 0.177 5.204 -3.224 1.00 0.00 S ATOM 786 CE MET A 52 0.971 3.676 -3.706 1.00 0.00 C ATOM 0 H MET A 52 0.924 6.190 -7.266 1.00 0.00 H new ATOM 0 HA MET A 52 -1.872 5.481 -7.736 1.00 0.00 H new ATOM 0 HB2 MET A 52 -1.929 5.279 -5.301 1.00 0.00 H new ATOM 0 HB3 MET A 52 -0.608 4.353 -5.986 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.009 6.100 -5.283 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.300 7.074 -4.642 1.00 0.00 H new ATOM 0 HE1 MET A 52 1.095 3.039 -2.831 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.355 3.163 -4.444 1.00 0.00 H new ATOM 0 HE3 MET A 52 1.948 3.894 -4.138 1.00 0.00 H new ATOM 796 N GLU A 53 -2.196 8.082 -8.178 1.00 0.00 N ATOM 797 CA GLU A 53 -2.744 9.446 -8.251 1.00 0.00 C ATOM 798 C GLU A 53 -4.262 9.374 -7.965 1.00 0.00 C ATOM 799 O GLU A 53 -4.717 9.798 -6.899 1.00 0.00 O ATOM 800 CB GLU A 53 -2.393 10.061 -9.645 1.00 0.00 C ATOM 801 CG GLU A 53 -2.577 11.592 -9.791 1.00 0.00 C ATOM 802 CD GLU A 53 -4.046 12.053 -9.792 1.00 0.00 C ATOM 803 OE1 GLU A 53 -4.800 11.646 -10.697 1.00 0.00 O ATOM 804 OE2 GLU A 53 -4.447 12.805 -8.885 1.00 0.00 O ATOM 0 H GLU A 53 -2.152 7.609 -9.081 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.306 10.106 -7.503 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.355 9.819 -9.873 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.008 9.570 -10.399 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.052 12.089 -8.975 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.105 11.917 -10.718 1.00 0.00 H new ATOM 811 N ASP A 54 -5.028 8.812 -8.919 1.00 0.00 N ATOM 812 CA ASP A 54 -6.472 8.513 -8.736 1.00 0.00 C ATOM 813 C ASP A 54 -6.655 7.344 -7.747 1.00 0.00 C ATOM 814 O ASP A 54 -7.646 7.273 -7.012 1.00 0.00 O ATOM 815 CB ASP A 54 -7.108 8.162 -10.111 1.00 0.00 C ATOM 816 CG ASP A 54 -8.590 7.717 -10.036 1.00 0.00 C ATOM 817 OD1 ASP A 54 -9.483 8.585 -9.995 1.00 0.00 O ATOM 818 OD2 ASP A 54 -8.866 6.500 -9.999 1.00 0.00 O ATOM 0 H ASP A 54 -4.670 8.551 -9.838 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.970 9.391 -8.325 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.035 9.032 -10.764 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.525 7.366 -10.574 1.00 0.00 H new ATOM 823 N LEU A 55 -5.665 6.443 -7.751 1.00 0.00 N ATOM 824 CA LEU A 55 -5.683 5.183 -7.001 1.00 0.00 C ATOM 825 C LEU A 55 -5.056 5.414 -5.627 1.00 0.00 C ATOM 826 O LEU A 55 -4.099 6.175 -5.532 1.00 0.00 O ATOM 827 CB LEU A 55 -4.876 4.093 -7.763 1.00 0.00 C ATOM 828 CG LEU A 55 -5.241 3.877 -9.282 1.00 0.00 C ATOM 829 CD1 LEU A 55 -4.601 4.943 -10.199 1.00 0.00 C ATOM 830 CD2 LEU A 55 -4.864 2.469 -9.747 1.00 0.00 C ATOM 0 H LEU A 55 -4.809 6.574 -8.289 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.713 4.844 -6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.818 4.346 -7.700 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.009 3.145 -7.242 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.322 3.990 -9.362 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.883 4.749 -11.234 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.952 5.933 -9.906 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.516 4.900 -10.105 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.128 2.350 -10.798 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.791 2.320 -9.623 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.404 1.733 -9.152 1.00 0.00 H new ATOM 842 N ALA A 56 -5.632 4.796 -4.578 1.00 0.00 N ATOM 843 CA ALA A 56 -5.060 4.729 -3.206 1.00 0.00 C ATOM 844 C ALA A 56 -5.159 6.051 -2.397 1.00 0.00 C ATOM 845 O ALA A 56 -5.419 6.005 -1.197 1.00 0.00 O ATOM 846 CB ALA A 56 -3.613 4.193 -3.210 1.00 0.00 C ATOM 0 H ALA A 56 -6.529 4.316 -4.656 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.696 4.016 -2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.234 4.161 -2.188 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.598 3.189 -3.635 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.983 4.850 -3.810 1.00 0.00 H new ATOM 852 N PHE A 57 -4.983 7.209 -3.073 1.00 0.00 N ATOM 853 CA PHE A 57 -4.747 8.524 -2.441 1.00 0.00 C ATOM 854 C PHE A 57 -5.928 9.018 -1.572 1.00 0.00 C ATOM 855 O PHE A 57 -5.716 9.772 -0.610 1.00 0.00 O ATOM 856 CB PHE A 57 -4.402 9.564 -3.547 1.00 0.00 C ATOM 857 CG PHE A 57 -4.192 11.002 -3.047 1.00 0.00 C ATOM 858 CD1 PHE A 57 -3.030 11.351 -2.360 1.00 0.00 C ATOM 859 CD2 PHE A 57 -5.172 11.987 -3.231 1.00 0.00 C ATOM 860 CE1 PHE A 57 -2.845 12.637 -1.890 1.00 0.00 C ATOM 861 CE2 PHE A 57 -4.981 13.273 -2.764 1.00 0.00 C ATOM 862 CZ PHE A 57 -3.824 13.596 -2.082 1.00 0.00 C ATOM 0 H PHE A 57 -5.002 7.255 -4.092 1.00 0.00 H new ATOM 0 HA PHE A 57 -3.910 8.408 -1.753 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.497 9.239 -4.060 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.204 9.566 -4.285 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.265 10.607 -2.193 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.089 11.737 -3.745 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.933 12.895 -1.371 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.737 14.026 -2.932 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.684 14.596 -1.699 1.00 0.00 H new ATOM 872 N ASP A 58 -7.153 8.606 -1.936 1.00 0.00 N ATOM 873 CA ASP A 58 -8.382 8.932 -1.180 1.00 0.00 C ATOM 874 C ASP A 58 -8.248 8.495 0.293 1.00 0.00 C ATOM 875 O ASP A 58 -7.794 7.393 0.548 1.00 0.00 O ATOM 876 CB ASP A 58 -9.584 8.232 -1.856 1.00 0.00 C ATOM 877 CG ASP A 58 -10.906 8.456 -1.121 1.00 0.00 C ATOM 878 OD1 ASP A 58 -11.543 9.512 -1.326 1.00 0.00 O ATOM 879 OD2 ASP A 58 -11.315 7.591 -0.329 1.00 0.00 O ATOM 0 H ASP A 58 -7.324 8.036 -2.764 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.540 10.010 -1.188 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.679 8.596 -2.879 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.386 7.162 -1.915 1.00 0.00 H new ATOM 884 N SER A 59 -8.670 9.362 1.239 1.00 0.00 N ATOM 885 CA SER A 59 -8.439 9.156 2.688 1.00 0.00 C ATOM 886 C SER A 59 -9.088 7.864 3.236 1.00 0.00 C ATOM 887 O SER A 59 -8.537 7.227 4.145 1.00 0.00 O ATOM 888 CB SER A 59 -8.936 10.388 3.468 1.00 0.00 C ATOM 889 OG SER A 59 -8.294 11.568 3.012 1.00 0.00 O ATOM 0 H SER A 59 -9.178 10.220 1.023 1.00 0.00 H new ATOM 0 HA SER A 59 -7.365 9.033 2.828 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.015 10.487 3.350 1.00 0.00 H new ATOM 0 HB3 SER A 59 -8.743 10.252 4.532 1.00 0.00 H new ATOM 0 HG SER A 59 -8.626 12.338 3.520 1.00 0.00 H new ATOM 895 N LEU A 60 -10.245 7.484 2.663 1.00 0.00 N ATOM 896 CA LEU A 60 -10.957 6.244 3.026 1.00 0.00 C ATOM 897 C LEU A 60 -10.164 5.016 2.529 1.00 0.00 C ATOM 898 O LEU A 60 -10.073 3.989 3.225 1.00 0.00 O ATOM 899 CB LEU A 60 -12.396 6.259 2.438 1.00 0.00 C ATOM 900 CG LEU A 60 -13.324 5.055 2.819 1.00 0.00 C ATOM 901 CD1 LEU A 60 -13.570 4.988 4.348 1.00 0.00 C ATOM 902 CD2 LEU A 60 -14.663 5.113 2.041 1.00 0.00 C ATOM 0 H LEU A 60 -10.712 8.027 1.937 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.038 6.181 4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.885 7.180 2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.319 6.299 1.351 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.807 4.140 2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.218 4.141 4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.618 4.866 4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.048 5.910 4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.286 4.265 2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.182 6.041 2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.464 5.073 0.970 1.00 0.00 H new ATOM 914 N VAL A 61 -9.564 5.159 1.332 1.00 0.00 N ATOM 915 CA VAL A 61 -8.742 4.099 0.716 1.00 0.00 C ATOM 916 C VAL A 61 -7.391 3.956 1.449 1.00 0.00 C ATOM 917 O VAL A 61 -6.913 2.839 1.627 1.00 0.00 O ATOM 918 CB VAL A 61 -8.506 4.350 -0.823 1.00 0.00 C ATOM 919 CG1 VAL A 61 -7.708 3.193 -1.465 1.00 0.00 C ATOM 920 CG2 VAL A 61 -9.851 4.560 -1.562 1.00 0.00 C ATOM 0 H VAL A 61 -9.634 6.006 0.768 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.298 3.167 0.815 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.915 5.260 -0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.562 3.396 -2.526 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.738 3.105 -0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.260 2.261 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.661 4.731 -2.622 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.474 3.673 -1.444 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.366 5.424 -1.142 1.00 0.00 H new ATOM 930 N VAL A 62 -6.799 5.096 1.879 1.00 0.00 N ATOM 931 CA VAL A 62 -5.554 5.126 2.699 1.00 0.00 C ATOM 932 C VAL A 62 -5.807 4.493 4.078 1.00 0.00 C ATOM 933 O VAL A 62 -4.923 3.839 4.634 1.00 0.00 O ATOM 934 CB VAL A 62 -5.002 6.608 2.876 1.00 0.00 C ATOM 935 CG1 VAL A 62 -3.856 6.702 3.923 1.00 0.00 C ATOM 936 CG2 VAL A 62 -4.531 7.188 1.523 1.00 0.00 C ATOM 0 H VAL A 62 -7.168 6.024 1.669 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.798 4.547 2.169 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.835 7.202 3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.519 7.736 4.002 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.221 6.364 4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.024 6.072 3.609 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.158 8.202 1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.734 6.564 1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.368 7.208 0.825 1.00 0.00 H new ATOM 946 N SER A 63 -7.030 4.694 4.606 1.00 0.00 N ATOM 947 CA SER A 63 -7.455 4.129 5.893 1.00 0.00 C ATOM 948 C SER A 63 -7.444 2.588 5.817 1.00 0.00 C ATOM 949 O SER A 63 -6.841 1.924 6.666 1.00 0.00 O ATOM 950 CB SER A 63 -8.857 4.662 6.279 1.00 0.00 C ATOM 951 OG SER A 63 -9.231 4.247 7.584 1.00 0.00 O ATOM 0 H SER A 63 -7.749 5.254 4.148 1.00 0.00 H new ATOM 0 HA SER A 63 -6.756 4.439 6.670 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.860 5.751 6.228 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.593 4.307 5.558 1.00 0.00 H new ATOM 0 HG SER A 63 -10.119 4.601 7.798 1.00 0.00 H new ATOM 957 N GLU A 64 -8.065 2.046 4.751 1.00 0.00 N ATOM 958 CA GLU A 64 -8.127 0.594 4.506 1.00 0.00 C ATOM 959 C GLU A 64 -6.720 0.038 4.185 1.00 0.00 C ATOM 960 O GLU A 64 -6.322 -1.000 4.715 1.00 0.00 O ATOM 961 CB GLU A 64 -9.120 0.284 3.346 1.00 0.00 C ATOM 962 CG GLU A 64 -9.395 -1.222 3.108 1.00 0.00 C ATOM 963 CD GLU A 64 -10.082 -1.917 4.309 1.00 0.00 C ATOM 964 OE1 GLU A 64 -9.386 -2.402 5.231 1.00 0.00 O ATOM 965 OE2 GLU A 64 -11.333 -1.980 4.345 1.00 0.00 O ATOM 0 H GLU A 64 -8.536 2.602 4.038 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.489 0.103 5.410 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.067 0.783 3.554 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.727 0.717 2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.023 -1.334 2.224 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.453 -1.727 2.895 1.00 0.00 H new ATOM 972 N LEU A 65 -5.964 0.795 3.365 1.00 0.00 N ATOM 973 CA LEU A 65 -4.610 0.425 2.884 1.00 0.00 C ATOM 974 C LEU A 65 -3.627 0.275 4.056 1.00 0.00 C ATOM 975 O LEU A 65 -2.865 -0.691 4.110 1.00 0.00 O ATOM 976 CB LEU A 65 -4.096 1.506 1.883 1.00 0.00 C ATOM 977 CG LEU A 65 -2.670 1.288 1.268 1.00 0.00 C ATOM 978 CD1 LEU A 65 -2.591 -0.021 0.451 1.00 0.00 C ATOM 979 CD2 LEU A 65 -2.241 2.510 0.413 1.00 0.00 C ATOM 0 H LEU A 65 -6.279 1.698 3.010 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.674 -0.538 2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.811 1.576 1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.101 2.469 2.393 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.969 1.192 2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.587 -0.135 0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.817 -0.868 1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.313 0.015 -0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.249 2.333 -0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.954 2.654 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.219 3.402 1.039 1.00 0.00 H new ATOM 991 N SER A 66 -3.682 1.237 4.994 1.00 0.00 N ATOM 992 CA SER A 66 -2.819 1.265 6.185 1.00 0.00 C ATOM 993 C SER A 66 -3.124 0.093 7.107 1.00 0.00 C ATOM 994 O SER A 66 -2.209 -0.452 7.711 1.00 0.00 O ATOM 995 CB SER A 66 -2.968 2.601 6.937 1.00 0.00 C ATOM 996 OG SER A 66 -4.311 2.845 7.314 1.00 0.00 O ATOM 0 H SER A 66 -4.332 2.022 4.945 1.00 0.00 H new ATOM 0 HA SER A 66 -1.785 1.173 5.852 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.337 2.590 7.826 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.614 3.415 6.305 1.00 0.00 H new ATOM 0 HG SER A 66 -4.903 2.229 6.834 1.00 0.00 H new ATOM 1002 N LEU A 67 -4.421 -0.287 7.197 1.00 0.00 N ATOM 1003 CA LEU A 67 -4.856 -1.483 7.946 1.00 0.00 C ATOM 1004 C LEU A 67 -4.283 -2.769 7.319 1.00 0.00 C ATOM 1005 O LEU A 67 -3.849 -3.667 8.037 1.00 0.00 O ATOM 1006 CB LEU A 67 -6.406 -1.558 8.011 1.00 0.00 C ATOM 1007 CG LEU A 67 -7.108 -0.416 8.816 1.00 0.00 C ATOM 1008 CD1 LEU A 67 -8.641 -0.483 8.668 1.00 0.00 C ATOM 1009 CD2 LEU A 67 -6.685 -0.432 10.311 1.00 0.00 C ATOM 0 H LEU A 67 -5.186 0.223 6.756 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.470 -1.398 8.962 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.795 -1.551 6.993 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.687 -2.514 8.453 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.778 0.532 8.391 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.097 0.325 9.240 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.910 -0.380 7.617 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.001 -1.441 9.042 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.191 0.375 10.841 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.960 -1.388 10.757 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.606 -0.294 10.385 1.00 0.00 H new ATOM 1021 N LYS A 68 -4.271 -2.831 5.979 1.00 0.00 N ATOM 1022 CA LYS A 68 -3.780 -4.006 5.233 1.00 0.00 C ATOM 1023 C LYS A 68 -2.259 -4.181 5.413 1.00 0.00 C ATOM 1024 O LYS A 68 -1.785 -5.293 5.637 1.00 0.00 O ATOM 1025 CB LYS A 68 -4.119 -3.879 3.730 1.00 0.00 C ATOM 1026 CG LYS A 68 -5.616 -3.751 3.370 1.00 0.00 C ATOM 1027 CD LYS A 68 -6.462 -4.955 3.813 1.00 0.00 C ATOM 1028 CE LYS A 68 -7.911 -4.867 3.310 1.00 0.00 C ATOM 1029 NZ LYS A 68 -8.749 -5.981 3.817 1.00 0.00 N ATOM 0 H LYS A 68 -4.599 -2.073 5.381 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.280 -4.886 5.636 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.597 -3.007 3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.717 -4.752 3.215 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.016 -2.848 3.831 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.712 -3.628 2.291 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.006 -5.873 3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.461 -5.016 4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.345 -3.917 3.622 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.917 -4.877 2.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.718 -5.881 3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.351 -6.888 3.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.766 -5.957 4.857 1.00 0.00 H new ATOM 1043 N LEU A 69 -1.504 -3.067 5.321 1.00 0.00 N ATOM 1044 CA LEU A 69 -0.036 -3.081 5.511 1.00 0.00 C ATOM 1045 C LEU A 69 0.306 -3.414 6.971 1.00 0.00 C ATOM 1046 O LEU A 69 1.286 -4.098 7.243 1.00 0.00 O ATOM 1047 CB LEU A 69 0.599 -1.722 5.115 1.00 0.00 C ATOM 1048 CG LEU A 69 0.328 -1.213 3.660 1.00 0.00 C ATOM 1049 CD1 LEU A 69 1.123 0.072 3.365 1.00 0.00 C ATOM 1050 CD2 LEU A 69 0.614 -2.296 2.593 1.00 0.00 C ATOM 0 H LEU A 69 -1.886 -2.144 5.116 1.00 0.00 H new ATOM 0 HA LEU A 69 0.378 -3.850 4.859 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.241 -0.964 5.812 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.678 -1.798 5.253 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.735 -0.981 3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.915 0.403 2.347 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.828 0.852 4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.189 -0.127 3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.410 -1.892 1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.659 -2.600 2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.026 -3.160 2.771 1.00 0.00 H new ATOM 1062 N ARG A 70 -0.545 -2.915 7.882 1.00 0.00 N ATOM 1063 CA ARG A 70 -0.439 -3.120 9.340 1.00 0.00 C ATOM 1064 C ARG A 70 -0.524 -4.607 9.704 1.00 0.00 C ATOM 1065 O ARG A 70 0.203 -5.081 10.579 1.00 0.00 O ATOM 1066 CB ARG A 70 -1.575 -2.315 10.026 1.00 0.00 C ATOM 1067 CG ARG A 70 -1.635 -2.344 11.565 1.00 0.00 C ATOM 1068 CD ARG A 70 -2.736 -1.399 12.088 1.00 0.00 C ATOM 1069 NE ARG A 70 -2.707 -1.243 13.552 1.00 0.00 N ATOM 1070 CZ ARG A 70 -2.974 -0.099 14.209 1.00 0.00 C ATOM 1071 NH1 ARG A 70 -3.254 1.021 13.544 1.00 0.00 N ATOM 1072 NH2 ARG A 70 -2.978 -0.088 15.532 1.00 0.00 N ATOM 0 H ARG A 70 -1.348 -2.342 7.620 1.00 0.00 H new ATOM 0 HA ARG A 70 0.532 -2.767 9.688 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.488 -1.275 9.712 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.527 -2.684 9.645 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.829 -3.361 11.907 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.670 -2.048 11.977 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.621 -0.421 11.621 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.711 -1.783 11.787 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.467 -2.063 14.110 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.268 1.019 12.524 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.454 1.881 14.055 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.779 -0.944 16.050 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.180 0.777 16.034 1.00 0.00 H new ATOM 1086 N LYS A 71 -1.411 -5.339 9.004 1.00 0.00 N ATOM 1087 CA LYS A 71 -1.658 -6.770 9.270 1.00 0.00 C ATOM 1088 C LYS A 71 -0.743 -7.655 8.397 1.00 0.00 C ATOM 1089 O LYS A 71 0.187 -8.287 8.904 1.00 0.00 O ATOM 1090 CB LYS A 71 -3.159 -7.120 9.015 1.00 0.00 C ATOM 1091 CG LYS A 71 -4.182 -6.246 9.778 1.00 0.00 C ATOM 1092 CD LYS A 71 -3.996 -6.281 11.303 1.00 0.00 C ATOM 1093 CE LYS A 71 -5.005 -5.382 12.041 1.00 0.00 C ATOM 1094 NZ LYS A 71 -4.824 -5.454 13.513 1.00 0.00 N ATOM 0 H LYS A 71 -1.974 -4.959 8.243 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.427 -6.968 10.317 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.358 -7.034 7.947 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.323 -8.163 9.287 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.098 -5.216 9.433 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.190 -6.583 9.534 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.103 -7.307 11.655 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.983 -5.963 11.550 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.886 -4.351 11.709 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.020 -5.685 11.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.519 -4.837 13.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.962 -6.434 13.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.863 -5.142 13.760 1.00 0.00 H new ATOM 1108 N GLU A 72 -1.000 -7.632 7.072 1.00 0.00 N ATOM 1109 CA GLU A 72 -0.398 -8.566 6.088 1.00 0.00 C ATOM 1110 C GLU A 72 1.135 -8.422 6.000 1.00 0.00 C ATOM 1111 O GLU A 72 1.865 -9.424 5.944 1.00 0.00 O ATOM 1112 CB GLU A 72 -1.059 -8.344 4.692 1.00 0.00 C ATOM 1113 CG GLU A 72 -0.634 -9.351 3.595 1.00 0.00 C ATOM 1114 CD GLU A 72 -1.460 -9.223 2.294 1.00 0.00 C ATOM 1115 OE1 GLU A 72 -2.576 -9.789 2.229 1.00 0.00 O ATOM 1116 OE2 GLU A 72 -1.004 -8.563 1.337 1.00 0.00 O ATOM 0 H GLU A 72 -1.638 -6.958 6.648 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.592 -9.583 6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.142 -8.393 4.808 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.820 -7.337 4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.421 -9.202 3.364 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.735 -10.365 3.983 1.00 0.00 H new ATOM 1123 N PHE A 73 1.610 -7.167 5.995 1.00 0.00 N ATOM 1124 CA PHE A 73 3.052 -6.847 5.879 1.00 0.00 C ATOM 1125 C PHE A 73 3.671 -6.571 7.264 1.00 0.00 C ATOM 1126 O PHE A 73 4.891 -6.668 7.429 1.00 0.00 O ATOM 1127 CB PHE A 73 3.256 -5.632 4.940 1.00 0.00 C ATOM 1128 CG PHE A 73 2.758 -5.886 3.514 1.00 0.00 C ATOM 1129 CD1 PHE A 73 1.414 -5.697 3.177 1.00 0.00 C ATOM 1130 CD2 PHE A 73 3.627 -6.330 2.515 1.00 0.00 C ATOM 1131 CE1 PHE A 73 0.963 -5.940 1.897 1.00 0.00 C ATOM 1132 CE2 PHE A 73 3.172 -6.575 1.236 1.00 0.00 C ATOM 1133 CZ PHE A 73 1.842 -6.374 0.929 1.00 0.00 C ATOM 0 H PHE A 73 1.012 -6.344 6.071 1.00 0.00 H new ATOM 0 HA PHE A 73 3.561 -7.711 5.451 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.733 -4.769 5.353 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.316 -5.378 4.909 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.719 -5.356 3.930 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.670 -6.484 2.747 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.078 -5.790 1.653 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.856 -6.924 0.476 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.488 -6.558 -0.075 1.00 0.00 H new ATOM 1143 N GLY A 74 2.813 -6.226 8.252 1.00 0.00 N ATOM 1144 CA GLY A 74 3.260 -5.863 9.605 1.00 0.00 C ATOM 1145 C GLY A 74 3.676 -4.395 9.728 1.00 0.00 C ATOM 1146 O GLY A 74 3.912 -3.913 10.841 1.00 0.00 O ATOM 0 H GLY A 74 1.801 -6.193 8.129 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.457 -6.067 10.313 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.101 -6.497 9.885 1.00 0.00 H new ATOM 1150 N VAL A 75 3.739 -3.689 8.578 1.00 0.00 N ATOM 1151 CA VAL A 75 4.213 -2.297 8.477 1.00 0.00 C ATOM 1152 C VAL A 75 3.128 -1.328 9.006 1.00 0.00 C ATOM 1153 O VAL A 75 2.163 -0.995 8.299 1.00 0.00 O ATOM 1154 CB VAL A 75 4.614 -1.964 6.984 1.00 0.00 C ATOM 1155 CG1 VAL A 75 5.106 -0.509 6.824 1.00 0.00 C ATOM 1156 CG2 VAL A 75 5.677 -2.969 6.467 1.00 0.00 C ATOM 0 H VAL A 75 3.456 -4.080 7.680 1.00 0.00 H new ATOM 0 HA VAL A 75 5.102 -2.172 9.095 1.00 0.00 H new ATOM 0 HB VAL A 75 3.715 -2.065 6.376 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.370 -0.327 5.782 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.314 0.178 7.123 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.982 -0.350 7.453 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.940 -2.723 5.438 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.567 -2.911 7.093 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.271 -3.980 6.506 1.00 0.00 H new ATOM 1166 N THR A 76 3.296 -0.907 10.273 1.00 0.00 N ATOM 1167 CA THR A 76 2.317 -0.094 11.020 1.00 0.00 C ATOM 1168 C THR A 76 2.849 1.343 11.210 1.00 0.00 C ATOM 1169 O THR A 76 4.066 1.566 11.180 1.00 0.00 O ATOM 1170 CB THR A 76 2.039 -0.763 12.414 1.00 0.00 C ATOM 1171 OG1 THR A 76 1.689 -2.146 12.217 1.00 0.00 O ATOM 1172 CG2 THR A 76 0.910 -0.066 13.199 1.00 0.00 C ATOM 0 H THR A 76 4.131 -1.126 10.817 1.00 0.00 H new ATOM 0 HA THR A 76 1.386 -0.042 10.455 1.00 0.00 H new ATOM 0 HB THR A 76 2.952 -0.669 13.003 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.466 -2.634 11.874 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.764 -0.573 14.153 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.180 0.975 13.378 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.013 -0.107 12.621 1.00 0.00 H new ATOM 1180 N GLY A 77 1.921 2.310 11.383 1.00 0.00 N ATOM 1181 CA GLY A 77 2.260 3.708 11.669 1.00 0.00 C ATOM 1182 C GLY A 77 2.702 4.486 10.439 1.00 0.00 C ATOM 1183 O GLY A 77 3.359 5.522 10.558 1.00 0.00 O ATOM 0 H GLY A 77 0.918 2.136 11.327 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.394 4.201 12.110 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.056 3.736 12.413 1.00 0.00 H new ATOM 1187 N VAL A 78 2.337 3.980 9.255 1.00 0.00 N ATOM 1188 CA VAL A 78 2.717 4.577 7.957 1.00 0.00 C ATOM 1189 C VAL A 78 1.501 5.224 7.271 1.00 0.00 C ATOM 1190 O VAL A 78 1.567 5.563 6.098 1.00 0.00 O ATOM 1191 CB VAL A 78 3.377 3.490 7.030 1.00 0.00 C ATOM 1192 CG1 VAL A 78 4.697 2.972 7.650 1.00 0.00 C ATOM 1193 CG2 VAL A 78 2.396 2.320 6.719 1.00 0.00 C ATOM 0 H VAL A 78 1.766 3.140 9.164 1.00 0.00 H new ATOM 0 HA VAL A 78 3.449 5.363 8.140 1.00 0.00 H new ATOM 0 HB VAL A 78 3.613 3.966 6.078 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.137 2.221 6.994 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.393 3.802 7.770 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.492 2.527 8.624 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.891 1.592 6.076 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.097 1.839 7.650 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.513 2.710 6.212 1.00 0.00 H new ATOM 1203 N ASP A 79 0.435 5.444 8.060 1.00 0.00 N ATOM 1204 CA ASP A 79 -0.873 5.966 7.599 1.00 0.00 C ATOM 1205 C ASP A 79 -0.710 7.312 6.856 1.00 0.00 C ATOM 1206 O ASP A 79 -1.087 7.458 5.679 1.00 0.00 O ATOM 1207 CB ASP A 79 -1.815 6.165 8.823 1.00 0.00 C ATOM 1208 CG ASP A 79 -1.954 4.933 9.748 1.00 0.00 C ATOM 1209 OD1 ASP A 79 -0.979 4.592 10.459 1.00 0.00 O ATOM 1210 OD2 ASP A 79 -3.043 4.325 9.804 1.00 0.00 O ATOM 0 H ASP A 79 0.455 5.260 9.063 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.303 5.241 6.908 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.447 7.004 9.413 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.805 6.441 8.460 1.00 0.00 H new ATOM 1215 N ASP A 80 -0.102 8.273 7.574 1.00 0.00 N ATOM 1216 CA ASP A 80 0.179 9.631 7.068 1.00 0.00 C ATOM 1217 C ASP A 80 1.176 9.579 5.896 1.00 0.00 C ATOM 1218 O ASP A 80 1.067 10.345 4.941 1.00 0.00 O ATOM 1219 CB ASP A 80 0.741 10.502 8.224 1.00 0.00 C ATOM 1220 CG ASP A 80 1.044 11.960 7.824 1.00 0.00 C ATOM 1221 OD1 ASP A 80 0.101 12.763 7.720 1.00 0.00 O ATOM 1222 OD2 ASP A 80 2.224 12.308 7.602 1.00 0.00 O ATOM 0 H ASP A 80 0.212 8.128 8.533 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.746 10.075 6.700 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.024 10.503 9.045 1.00 0.00 H new ATOM 0 HB3 ASP A 80 1.655 10.042 8.600 1.00 0.00 H new ATOM 1227 N GLU A 81 2.126 8.622 5.981 1.00 0.00 N ATOM 1228 CA GLU A 81 3.192 8.436 4.976 1.00 0.00 C ATOM 1229 C GLU A 81 2.594 7.935 3.635 1.00 0.00 C ATOM 1230 O GLU A 81 3.114 8.258 2.564 1.00 0.00 O ATOM 1231 CB GLU A 81 4.273 7.450 5.530 1.00 0.00 C ATOM 1232 CG GLU A 81 5.680 7.588 4.898 1.00 0.00 C ATOM 1233 CD GLU A 81 6.396 8.896 5.296 1.00 0.00 C ATOM 1234 OE1 GLU A 81 6.197 9.936 4.632 1.00 0.00 O ATOM 1235 OE2 GLU A 81 7.153 8.895 6.291 1.00 0.00 O ATOM 0 H GLU A 81 2.174 7.955 6.752 1.00 0.00 H new ATOM 0 HA GLU A 81 3.674 9.394 4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.360 7.599 6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.923 6.429 5.377 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.293 6.739 5.201 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.590 7.546 3.813 1.00 0.00 H new ATOM 1242 N LEU A 82 1.482 7.170 3.724 1.00 0.00 N ATOM 1243 CA LEU A 82 0.727 6.659 2.551 1.00 0.00 C ATOM 1244 C LEU A 82 -0.001 7.793 1.834 1.00 0.00 C ATOM 1245 O LEU A 82 -0.071 7.814 0.601 1.00 0.00 O ATOM 1246 CB LEU A 82 -0.303 5.578 2.978 1.00 0.00 C ATOM 1247 CG LEU A 82 0.290 4.248 3.520 1.00 0.00 C ATOM 1248 CD1 LEU A 82 -0.811 3.315 4.044 1.00 0.00 C ATOM 1249 CD2 LEU A 82 1.162 3.548 2.458 1.00 0.00 C ATOM 0 H LEU A 82 1.079 6.887 4.617 1.00 0.00 H new ATOM 0 HA LEU A 82 1.451 6.211 1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.950 6.004 3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.935 5.348 2.120 1.00 0.00 H new ATOM 0 HG LEU A 82 0.935 4.497 4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.361 2.394 4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.351 3.807 4.853 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.504 3.080 3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.562 2.621 2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.556 3.324 1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.985 4.203 2.174 1.00 0.00 H new ATOM 1261 N ASP A 83 -0.559 8.716 2.632 1.00 0.00 N ATOM 1262 CA ASP A 83 -1.181 9.953 2.114 1.00 0.00 C ATOM 1263 C ASP A 83 -0.150 10.807 1.349 1.00 0.00 C ATOM 1264 O ASP A 83 -0.476 11.455 0.346 1.00 0.00 O ATOM 1265 CB ASP A 83 -1.808 10.756 3.287 1.00 0.00 C ATOM 1266 CG ASP A 83 -2.310 12.157 2.881 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -3.260 12.253 2.071 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -1.763 13.166 3.368 1.00 0.00 O ATOM 0 H ASP A 83 -0.594 8.631 3.648 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.971 9.684 1.413 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -2.641 10.187 3.701 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -1.068 10.861 4.080 1.00 0.00 H new ATOM 1273 N LEU A 84 1.103 10.787 1.839 1.00 0.00 N ATOM 1274 CA LEU A 84 2.227 11.510 1.224 1.00 0.00 C ATOM 1275 C LEU A 84 2.781 10.778 -0.023 1.00 0.00 C ATOM 1276 O LEU A 84 3.452 11.405 -0.850 1.00 0.00 O ATOM 1277 CB LEU A 84 3.343 11.747 2.278 1.00 0.00 C ATOM 1278 CG LEU A 84 2.932 12.625 3.510 1.00 0.00 C ATOM 1279 CD1 LEU A 84 4.068 12.716 4.552 1.00 0.00 C ATOM 1280 CD2 LEU A 84 2.453 14.032 3.069 1.00 0.00 C ATOM 0 H LEU A 84 1.364 10.266 2.676 1.00 0.00 H new ATOM 0 HA LEU A 84 1.856 12.475 0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.686 10.779 2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.191 12.220 1.783 1.00 0.00 H new ATOM 0 HG LEU A 84 2.090 12.129 3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.744 13.333 5.390 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.314 11.716 4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.949 13.163 4.092 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.176 14.614 3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.257 14.540 2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.589 13.933 2.412 1.00 0.00 H new ATOM 1292 N LEU A 85 2.506 9.456 -0.159 1.00 0.00 N ATOM 1293 CA LEU A 85 2.931 8.669 -1.349 1.00 0.00 C ATOM 1294 C LEU A 85 2.178 9.113 -2.613 1.00 0.00 C ATOM 1295 O LEU A 85 0.962 9.351 -2.577 1.00 0.00 O ATOM 1296 CB LEU A 85 2.725 7.136 -1.163 1.00 0.00 C ATOM 1297 CG LEU A 85 3.609 6.427 -0.091 1.00 0.00 C ATOM 1298 CD1 LEU A 85 3.321 4.914 -0.069 1.00 0.00 C ATOM 1299 CD2 LEU A 85 5.117 6.706 -0.306 1.00 0.00 C ATOM 0 H LEU A 85 1.994 8.913 0.536 1.00 0.00 H new ATOM 0 HA LEU A 85 3.997 8.865 -1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.679 6.963 -0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.903 6.651 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 85 3.345 6.843 0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.947 4.435 0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.271 4.747 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.541 4.487 -1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.695 6.193 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.418 6.343 -1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.301 7.779 -0.243 1.00 0.00 H new ATOM 1311 N GLU A 86 2.914 9.201 -3.730 1.00 0.00 N ATOM 1312 CA GLU A 86 2.356 9.557 -5.036 1.00 0.00 C ATOM 1313 C GLU A 86 2.590 8.410 -6.025 1.00 0.00 C ATOM 1314 O GLU A 86 1.724 8.131 -6.843 1.00 0.00 O ATOM 1315 CB GLU A 86 2.990 10.870 -5.565 1.00 0.00 C ATOM 1316 CG GLU A 86 2.366 11.395 -6.877 1.00 0.00 C ATOM 1317 CD GLU A 86 3.064 12.652 -7.405 1.00 0.00 C ATOM 1318 OE1 GLU A 86 2.710 13.770 -6.976 1.00 0.00 O ATOM 1319 OE2 GLU A 86 3.981 12.524 -8.248 1.00 0.00 O ATOM 0 H GLU A 86 3.919 9.026 -3.750 1.00 0.00 H new ATOM 0 HA GLU A 86 1.284 9.722 -4.929 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.896 11.639 -4.799 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.056 10.707 -5.724 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.414 10.613 -7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.311 11.614 -6.710 1.00 0.00 H new ATOM 1326 N THR A 87 3.769 7.741 -5.950 1.00 0.00 N ATOM 1327 CA THR A 87 4.089 6.586 -6.820 1.00 0.00 C ATOM 1328 C THR A 87 4.077 5.253 -6.045 1.00 0.00 C ATOM 1329 O THR A 87 4.418 5.179 -4.844 1.00 0.00 O ATOM 1330 CB THR A 87 5.464 6.746 -7.567 1.00 0.00 C ATOM 1331 OG1 THR A 87 6.508 6.972 -6.624 1.00 0.00 O ATOM 1332 CG2 THR A 87 5.437 7.894 -8.599 1.00 0.00 C ATOM 0 H THR A 87 4.512 7.984 -5.295 1.00 0.00 H new ATOM 0 HA THR A 87 3.297 6.565 -7.569 1.00 0.00 H new ATOM 0 HB THR A 87 5.648 5.819 -8.109 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.361 7.069 -7.097 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.408 7.966 -9.089 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.668 7.694 -9.345 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.216 8.833 -8.092 1.00 0.00 H new ATOM 1340 N VAL A 88 3.689 4.200 -6.778 1.00 0.00 N ATOM 1341 CA VAL A 88 3.675 2.817 -6.295 1.00 0.00 C ATOM 1342 C VAL A 88 5.119 2.344 -6.018 1.00 0.00 C ATOM 1343 O VAL A 88 5.349 1.532 -5.125 1.00 0.00 O ATOM 1344 CB VAL A 88 2.974 1.874 -7.347 1.00 0.00 C ATOM 1345 CG1 VAL A 88 2.810 0.433 -6.811 1.00 0.00 C ATOM 1346 CG2 VAL A 88 1.609 2.455 -7.804 1.00 0.00 C ATOM 0 H VAL A 88 3.370 4.291 -7.743 1.00 0.00 H new ATOM 0 HA VAL A 88 3.107 2.772 -5.366 1.00 0.00 H new ATOM 0 HB VAL A 88 3.628 1.825 -8.217 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.323 -0.183 -7.567 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.791 0.017 -6.580 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.201 0.448 -5.907 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.151 1.782 -8.529 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.951 2.561 -6.941 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.765 3.431 -8.263 1.00 0.00 H new ATOM 1356 N ASP A 89 6.078 2.903 -6.788 1.00 0.00 N ATOM 1357 CA ASP A 89 7.525 2.668 -6.608 1.00 0.00 C ATOM 1358 C ASP A 89 7.973 3.028 -5.181 1.00 0.00 C ATOM 1359 O ASP A 89 8.678 2.249 -4.528 1.00 0.00 O ATOM 1360 CB ASP A 89 8.313 3.494 -7.657 1.00 0.00 C ATOM 1361 CG ASP A 89 9.825 3.217 -7.638 1.00 0.00 C ATOM 1362 OD1 ASP A 89 10.253 2.180 -8.182 1.00 0.00 O ATOM 1363 OD2 ASP A 89 10.593 4.025 -7.067 1.00 0.00 O ATOM 0 H ASP A 89 5.866 3.536 -7.559 1.00 0.00 H new ATOM 0 HA ASP A 89 7.731 1.608 -6.756 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.923 3.273 -8.651 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.143 4.555 -7.476 1.00 0.00 H new ATOM 1368 N GLU A 90 7.524 4.209 -4.710 1.00 0.00 N ATOM 1369 CA GLU A 90 7.791 4.684 -3.342 1.00 0.00 C ATOM 1370 C GLU A 90 7.136 3.764 -2.293 1.00 0.00 C ATOM 1371 O GLU A 90 7.689 3.612 -1.207 1.00 0.00 O ATOM 1372 CB GLU A 90 7.307 6.150 -3.154 1.00 0.00 C ATOM 1373 CG GLU A 90 8.069 7.203 -3.979 1.00 0.00 C ATOM 1374 CD GLU A 90 9.545 7.367 -3.577 1.00 0.00 C ATOM 1375 OE1 GLU A 90 9.817 7.864 -2.469 1.00 0.00 O ATOM 1376 OE2 GLU A 90 10.438 7.026 -4.375 1.00 0.00 O ATOM 0 H GLU A 90 6.968 4.857 -5.268 1.00 0.00 H new ATOM 0 HA GLU A 90 8.870 4.657 -3.192 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.250 6.203 -3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.388 6.410 -2.099 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.019 6.929 -5.033 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.566 8.164 -3.875 1.00 0.00 H new ATOM 1383 N LEU A 91 5.963 3.172 -2.628 1.00 0.00 N ATOM 1384 CA LEU A 91 5.290 2.178 -1.744 1.00 0.00 C ATOM 1385 C LEU A 91 6.162 0.921 -1.521 1.00 0.00 C ATOM 1386 O LEU A 91 6.332 0.487 -0.377 1.00 0.00 O ATOM 1387 CB LEU A 91 3.894 1.773 -2.298 1.00 0.00 C ATOM 1388 CG LEU A 91 3.147 0.630 -1.523 1.00 0.00 C ATOM 1389 CD1 LEU A 91 2.808 1.031 -0.068 1.00 0.00 C ATOM 1390 CD2 LEU A 91 1.893 0.170 -2.288 1.00 0.00 C ATOM 0 H LEU A 91 5.463 3.361 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 91 5.149 2.665 -0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.257 2.657 -2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.014 1.462 -3.336 1.00 0.00 H new ATOM 0 HG LEU A 91 3.832 -0.215 -1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.292 0.207 0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.728 1.258 0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.164 1.911 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.395 -0.622 -1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.211 1.012 -2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.183 -0.206 -3.269 1.00 0.00 H new ATOM 1402 N PHE A 92 6.698 0.348 -2.626 1.00 0.00 N ATOM 1403 CA PHE A 92 7.584 -0.844 -2.577 1.00 0.00 C ATOM 1404 C PHE A 92 8.795 -0.588 -1.675 1.00 0.00 C ATOM 1405 O PHE A 92 9.156 -1.432 -0.846 1.00 0.00 O ATOM 1406 CB PHE A 92 8.074 -1.249 -3.998 1.00 0.00 C ATOM 1407 CG PHE A 92 7.021 -1.939 -4.878 1.00 0.00 C ATOM 1408 CD1 PHE A 92 6.761 -3.301 -4.738 1.00 0.00 C ATOM 1409 CD2 PHE A 92 6.305 -1.241 -5.850 1.00 0.00 C ATOM 1410 CE1 PHE A 92 5.819 -3.932 -5.529 1.00 0.00 C ATOM 1411 CE2 PHE A 92 5.364 -1.883 -6.634 1.00 0.00 C ATOM 1412 CZ PHE A 92 5.124 -3.225 -6.477 1.00 0.00 C ATOM 0 H PHE A 92 6.531 0.695 -3.571 1.00 0.00 H new ATOM 0 HA PHE A 92 6.995 -1.664 -2.165 1.00 0.00 H new ATOM 0 HB2 PHE A 92 8.426 -0.355 -4.513 1.00 0.00 H new ATOM 0 HB3 PHE A 92 8.931 -1.915 -3.894 1.00 0.00 H new ATOM 0 HD1 PHE A 92 7.304 -3.873 -4.000 1.00 0.00 H new ATOM 0 HD2 PHE A 92 6.488 -0.186 -5.992 1.00 0.00 H new ATOM 0 HE1 PHE A 92 5.629 -4.987 -5.400 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.813 -1.324 -7.376 1.00 0.00 H new ATOM 0 HZ PHE A 92 4.392 -3.722 -7.096 1.00 0.00 H new ATOM 1422 N GLN A 93 9.394 0.597 -1.855 1.00 0.00 N ATOM 1423 CA GLN A 93 10.560 1.028 -1.086 1.00 0.00 C ATOM 1424 C GLN A 93 10.210 1.186 0.397 1.00 0.00 C ATOM 1425 O GLN A 93 10.898 0.628 1.237 1.00 0.00 O ATOM 1426 CB GLN A 93 11.123 2.344 -1.667 1.00 0.00 C ATOM 1427 CG GLN A 93 11.639 2.214 -3.111 1.00 0.00 C ATOM 1428 CD GLN A 93 12.150 3.531 -3.686 1.00 0.00 C ATOM 1429 OE1 GLN A 93 13.326 3.866 -3.567 1.00 0.00 O ATOM 1430 NE2 GLN A 93 11.264 4.287 -4.301 1.00 0.00 N ATOM 0 H GLN A 93 9.079 1.283 -2.541 1.00 0.00 H new ATOM 0 HA GLN A 93 11.330 0.260 -1.163 1.00 0.00 H new ATOM 0 HB2 GLN A 93 10.345 3.106 -1.636 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.936 2.693 -1.030 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.442 1.477 -3.138 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.837 1.835 -3.744 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.296 3.976 -4.381 1.00 0.00 H new ATOM 0 HE22 GLN A 93 11.546 5.183 -4.698 1.00 0.00 H new ATOM 1439 N LEU A 94 9.097 1.909 0.676 1.00 0.00 N ATOM 1440 CA LEU A 94 8.599 2.217 2.043 1.00 0.00 C ATOM 1441 C LEU A 94 8.487 0.933 2.872 1.00 0.00 C ATOM 1442 O LEU A 94 9.124 0.802 3.921 1.00 0.00 O ATOM 1443 CB LEU A 94 7.217 2.966 1.931 1.00 0.00 C ATOM 1444 CG LEU A 94 6.524 3.490 3.257 1.00 0.00 C ATOM 1445 CD1 LEU A 94 5.505 4.601 2.935 1.00 0.00 C ATOM 1446 CD2 LEU A 94 5.814 2.370 4.067 1.00 0.00 C ATOM 0 H LEU A 94 8.507 2.303 -0.057 1.00 0.00 H new ATOM 0 HA LEU A 94 9.304 2.870 2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.358 3.822 1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.516 2.294 1.436 1.00 0.00 H new ATOM 0 HG LEU A 94 7.330 3.881 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.040 4.947 3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.015 5.434 2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.738 4.209 2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.362 2.799 4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.039 1.912 3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.543 1.613 4.356 1.00 0.00 H new ATOM 1458 N VAL A 95 7.689 -0.015 2.350 1.00 0.00 N ATOM 1459 CA VAL A 95 7.413 -1.303 3.006 1.00 0.00 C ATOM 1460 C VAL A 95 8.719 -2.082 3.244 1.00 0.00 C ATOM 1461 O VAL A 95 8.892 -2.681 4.307 1.00 0.00 O ATOM 1462 CB VAL A 95 6.382 -2.149 2.157 1.00 0.00 C ATOM 1463 CG1 VAL A 95 6.175 -3.580 2.722 1.00 0.00 C ATOM 1464 CG2 VAL A 95 5.032 -1.395 2.054 1.00 0.00 C ATOM 0 H VAL A 95 7.214 0.093 1.454 1.00 0.00 H new ATOM 0 HA VAL A 95 6.962 -1.108 3.979 1.00 0.00 H new ATOM 0 HB VAL A 95 6.803 -2.268 1.159 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.458 -4.116 2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 95 7.126 -4.113 2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.796 -3.517 3.742 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.329 -1.986 1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.627 -1.236 3.053 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.189 -0.432 1.569 1.00 0.00 H new ATOM 1474 N GLU A 96 9.646 -2.013 2.265 1.00 0.00 N ATOM 1475 CA GLU A 96 10.956 -2.689 2.344 1.00 0.00 C ATOM 1476 C GLU A 96 11.868 -2.057 3.424 1.00 0.00 C ATOM 1477 O GLU A 96 12.605 -2.774 4.105 1.00 0.00 O ATOM 1478 CB GLU A 96 11.647 -2.680 0.959 1.00 0.00 C ATOM 1479 CG GLU A 96 13.042 -3.348 0.940 1.00 0.00 C ATOM 1480 CD GLU A 96 13.598 -3.575 -0.476 1.00 0.00 C ATOM 1481 OE1 GLU A 96 13.256 -4.602 -1.098 1.00 0.00 O ATOM 1482 OE2 GLU A 96 14.388 -2.740 -0.967 1.00 0.00 O ATOM 0 H GLU A 96 9.507 -1.489 1.401 1.00 0.00 H new ATOM 0 HA GLU A 96 10.780 -3.723 2.641 1.00 0.00 H new ATOM 0 HB2 GLU A 96 11.003 -3.189 0.241 1.00 0.00 H new ATOM 0 HB3 GLU A 96 11.746 -1.648 0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.741 -2.726 1.500 1.00 0.00 H new ATOM 0 HG3 GLU A 96 12.984 -4.306 1.456 1.00 0.00 H new ATOM 1489 N LYS A 97 11.798 -0.719 3.589 1.00 0.00 N ATOM 1490 CA LYS A 97 12.613 0.020 4.581 1.00 0.00 C ATOM 1491 C LYS A 97 12.193 -0.372 6.009 1.00 0.00 C ATOM 1492 O LYS A 97 13.037 -0.514 6.896 1.00 0.00 O ATOM 1493 CB LYS A 97 12.481 1.567 4.406 1.00 0.00 C ATOM 1494 CG LYS A 97 12.903 2.125 3.029 1.00 0.00 C ATOM 1495 CD LYS A 97 14.371 1.825 2.643 1.00 0.00 C ATOM 1496 CE LYS A 97 14.743 2.418 1.270 1.00 0.00 C ATOM 1497 NZ LYS A 97 14.556 3.893 1.223 1.00 0.00 N ATOM 0 H LYS A 97 11.178 -0.121 3.042 1.00 0.00 H new ATOM 0 HA LYS A 97 13.655 -0.252 4.413 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.444 1.847 4.588 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.082 2.053 5.174 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.246 1.709 2.265 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.752 3.204 3.026 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.036 2.232 3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.528 0.746 2.626 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.782 2.178 1.042 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.132 1.952 0.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.989 4.270 0.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.540 4.114 1.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.008 4.327 2.053 1.00 0.00 H new ATOM 1511 N HIS A 98 10.872 -0.543 6.213 1.00 0.00 N ATOM 1512 CA HIS A 98 10.302 -0.965 7.512 1.00 0.00 C ATOM 1513 C HIS A 98 10.463 -2.486 7.725 1.00 0.00 C ATOM 1514 O HIS A 98 10.498 -2.955 8.864 1.00 0.00 O ATOM 1515 CB HIS A 98 8.818 -0.541 7.625 1.00 0.00 C ATOM 1516 CG HIS A 98 8.599 0.960 7.721 1.00 0.00 C ATOM 1517 ND1 HIS A 98 8.482 1.911 6.763 1.00 0.00 N flip ATOM 1518 CD2 HIS A 98 8.502 1.631 8.917 1.00 0.00 C flip ATOM 1519 CE1 HIS A 98 8.306 3.112 7.394 1.00 0.00 C flip ATOM 1520 NE2 HIS A 98 8.324 2.915 8.694 1.00 0.00 N flip ATOM 0 H HIS A 98 10.171 -0.394 5.487 1.00 0.00 H new ATOM 0 HA HIS A 98 10.858 -0.460 8.302 1.00 0.00 H new ATOM 0 HB2 HIS A 98 8.278 -0.920 6.758 1.00 0.00 H new ATOM 0 HB3 HIS A 98 8.383 -1.016 8.504 1.00 0.00 H new ATOM 0 HD1 HIS A 98 8.518 1.759 5.755 1.00 0.00 H new ATOM 0 HD2 HIS A 98 8.563 1.173 9.893 1.00 0.00 H new ATOM 0 HE1 HIS A 98 8.174 4.066 6.905 1.00 0.00 H new ATOM 1529 N ARG A 99 10.577 -3.244 6.622 1.00 0.00 N ATOM 1530 CA ARG A 99 10.770 -4.715 6.659 1.00 0.00 C ATOM 1531 C ARG A 99 12.238 -5.064 7.001 1.00 0.00 C ATOM 1532 O ARG A 99 12.517 -6.086 7.646 1.00 0.00 O ATOM 1533 CB ARG A 99 10.382 -5.327 5.285 1.00 0.00 C ATOM 1534 CG ARG A 99 10.416 -6.872 5.204 1.00 0.00 C ATOM 1535 CD ARG A 99 10.102 -7.402 3.794 1.00 0.00 C ATOM 1536 NE ARG A 99 10.045 -8.880 3.753 1.00 0.00 N ATOM 1537 CZ ARG A 99 10.485 -9.650 2.735 1.00 0.00 C ATOM 1538 NH1 ARG A 99 11.118 -9.110 1.702 1.00 0.00 N ATOM 1539 NH2 ARG A 99 10.313 -10.962 2.777 1.00 0.00 N ATOM 0 H ARG A 99 10.539 -2.861 5.677 1.00 0.00 H new ATOM 0 HA ARG A 99 10.129 -5.134 7.435 1.00 0.00 H new ATOM 0 HB2 ARG A 99 9.377 -4.990 5.029 1.00 0.00 H new ATOM 0 HB3 ARG A 99 11.055 -4.927 4.527 1.00 0.00 H new ATOM 0 HG2 ARG A 99 11.401 -7.226 5.509 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.696 -7.284 5.911 1.00 0.00 H new ATOM 0 HD2 ARG A 99 9.149 -6.994 3.458 1.00 0.00 H new ATOM 0 HD3 ARG A 99 10.863 -7.050 3.097 1.00 0.00 H new ATOM 0 HE ARG A 99 9.640 -9.356 4.559 1.00 0.00 H new ATOM 0 HH11 ARG A 99 11.277 -8.103 1.671 1.00 0.00 H new ATOM 0 HH12 ARG A 99 11.446 -9.702 0.939 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.848 -11.390 3.578 1.00 0.00 H new ATOM 0 HH22 ARG A 99 10.645 -11.545 2.008 1.00 0.00 H new ATOM 1553 N ALA A 100 13.163 -4.189 6.554 1.00 0.00 N ATOM 1554 CA ALA A 100 14.617 -4.397 6.687 1.00 0.00 C ATOM 1555 C ALA A 100 15.170 -3.667 7.922 1.00 0.00 C ATOM 1556 O ALA A 100 15.679 -4.300 8.849 1.00 0.00 O ATOM 1557 CB ALA A 100 15.334 -3.931 5.397 1.00 0.00 C ATOM 0 H ALA A 100 12.919 -3.315 6.089 1.00 0.00 H new ATOM 0 HA ALA A 100 14.806 -5.461 6.827 1.00 0.00 H new ATOM 0 HB1 ALA A 100 16.408 -4.087 5.501 1.00 0.00 H new ATOM 0 HB2 ALA A 100 14.964 -4.505 4.548 1.00 0.00 H new ATOM 0 HB3 ALA A 100 15.135 -2.872 5.233 1.00 0.00 H new ATOM 1563 N ALA A 101 15.046 -2.327 7.930 1.00 0.00 N ATOM 1564 CA ALA A 101 15.674 -1.449 8.950 1.00 0.00 C ATOM 1565 C ALA A 101 14.662 -0.941 10.002 1.00 0.00 C ATOM 1566 O ALA A 101 15.064 -0.350 11.014 1.00 0.00 O ATOM 1567 CB ALA A 101 16.359 -0.268 8.245 1.00 0.00 C ATOM 0 H ALA A 101 14.508 -1.816 7.230 1.00 0.00 H new ATOM 0 HA ALA A 101 16.412 -2.040 9.493 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.822 0.381 8.989 1.00 0.00 H new ATOM 0 HB2 ALA A 101 17.123 -0.644 7.565 1.00 0.00 H new ATOM 0 HB3 ALA A 101 15.618 0.298 7.681 1.00 0.00 H new ATOM 1573 N GLY A 102 13.355 -1.175 9.770 1.00 0.00 N ATOM 1574 CA GLY A 102 12.291 -0.677 10.661 1.00 0.00 C ATOM 1575 C GLY A 102 11.776 -1.751 11.612 1.00 0.00 C ATOM 1576 O GLY A 102 10.559 -1.911 11.782 1.00 0.00 O ATOM 0 H GLY A 102 13.011 -1.707 8.971 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.671 0.165 11.240 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.463 -0.302 10.059 1.00 0.00 H new ATOM 1580 N SER A 103 12.714 -2.482 12.234 1.00 0.00 N ATOM 1581 CA SER A 103 12.412 -3.559 13.198 1.00 0.00 C ATOM 1582 C SER A 103 12.179 -2.969 14.610 1.00 0.00 C ATOM 1583 O SER A 103 13.070 -2.254 15.114 1.00 0.00 O ATOM 1584 CB SER A 103 13.567 -4.588 13.214 1.00 0.00 C ATOM 1585 OG SER A 103 13.845 -5.067 11.905 1.00 0.00 O ATOM 1586 OXT SER A 103 11.121 -3.221 15.215 1.00 0.00 O ATOM 0 H SER A 103 13.713 -2.343 12.083 1.00 0.00 H new ATOM 0 HA SER A 103 11.498 -4.067 12.890 1.00 0.00 H new ATOM 0 HB2 SER A 103 14.462 -4.128 13.634 1.00 0.00 H new ATOM 0 HB3 SER A 103 13.304 -5.424 13.862 1.00 0.00 H new ATOM 0 HG SER A 103 14.580 -5.714 11.943 1.00 0.00 H new TER 1592 SER A 103