USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 996 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 Single : A 1 GLY N :NH3+ -154:sc= 0.00219 (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 9:sc= 0.512 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 56:sc= 0.0952 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -2.2 K(o=-2.2,f=-9.5!) USER MOD Single : A 21 SER OG : rot 170:sc= -0.122 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.881 K(o=-0.88,f=-6.2!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 161:sc= -1.64 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -146:sc= -0.527 (180deg=-2.24!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -174:sc= -1.69 (180deg=-1.77) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 160:sc= -4.19 USER MOD Single : A 70 THR OG1 : rot 140:sc= -1.79 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 16:sc= -0.604 USER MOD Single : A 80 THR OG1 : rot -44:sc= -0.481! USER MOD Single : A 83 HIS : no HD1:sc= -0.629 X(o=-0.63,f=-0.88) USER MOD Single : A 94 ASN : amide:sc= -0.467 K(o=-0.47,f=-4!) USER MOD Single : A 99 GLN : amide:sc= -0.101 K(o=-0.1,f=-2.1!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 1.13 K(o=1.1,f=-0.0035) USER MOD Single : A 113 SER OG : rot 79:sc= 1.15 USER MOD Single : A 114 LYS NZ :NH3+ -158:sc=-0.00031 (180deg=-0.36) USER MOD Single : A 118 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot -4:sc= 1.07 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.092 22.363 11.363 1.00 0.00 N ATOM 2 CA GLY A 1 -23.774 21.106 11.616 1.00 0.00 C ATOM 3 C GLY A 1 -23.367 20.044 10.592 1.00 0.00 C ATOM 4 O GLY A 1 -22.186 19.900 10.279 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.017 22.902 12.249 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.139 22.173 10.992 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.631 22.916 10.666 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.538 20.756 12.621 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.852 21.259 11.577 1.00 0.00 H new ATOM 8 N SER A 2 -24.367 19.329 10.098 1.00 0.00 N ATOM 9 CA SER A 2 -24.127 18.286 9.116 1.00 0.00 C ATOM 10 C SER A 2 -23.291 17.165 9.736 1.00 0.00 C ATOM 11 O SER A 2 -22.727 17.332 10.817 1.00 0.00 O ATOM 12 CB SER A 2 -23.427 18.846 7.876 1.00 0.00 C ATOM 13 OG SER A 2 -24.349 19.145 6.831 1.00 0.00 O ATOM 0 H SER A 2 -25.345 19.452 10.360 1.00 0.00 H new ATOM 0 HA SER A 2 -25.091 17.883 8.805 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.880 19.749 8.146 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.694 18.124 7.517 1.00 0.00 H new ATOM 0 HG SER A 2 -23.863 19.502 6.058 1.00 0.00 H new ATOM 19 N SER A 3 -23.237 16.048 9.026 1.00 0.00 N ATOM 20 CA SER A 3 -22.479 14.900 9.494 1.00 0.00 C ATOM 21 C SER A 3 -22.049 14.037 8.305 1.00 0.00 C ATOM 22 O SER A 3 -22.889 13.559 7.545 1.00 0.00 O ATOM 23 CB SER A 3 -23.294 14.068 10.486 1.00 0.00 C ATOM 24 OG SER A 3 -22.599 13.868 11.713 1.00 0.00 O ATOM 0 H SER A 3 -23.706 15.913 8.130 1.00 0.00 H new ATOM 0 HA SER A 3 -21.591 15.264 10.011 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.243 14.567 10.684 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.529 13.101 10.041 1.00 0.00 H new ATOM 0 HG SER A 3 -23.153 13.334 12.320 1.00 0.00 H new ATOM 30 N GLY A 4 -20.741 13.865 8.183 1.00 0.00 N ATOM 31 CA GLY A 4 -20.189 13.069 7.100 1.00 0.00 C ATOM 32 C GLY A 4 -19.655 13.963 5.978 1.00 0.00 C ATOM 33 O GLY A 4 -18.444 14.091 5.806 1.00 0.00 O ATOM 0 H GLY A 4 -20.048 14.263 8.816 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.386 12.438 7.481 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.957 12.404 6.705 1.00 0.00 H new ATOM 37 N SER A 5 -20.585 14.558 5.246 1.00 0.00 N ATOM 38 CA SER A 5 -20.223 15.436 4.146 1.00 0.00 C ATOM 39 C SER A 5 -19.533 14.633 3.041 1.00 0.00 C ATOM 40 O SER A 5 -18.589 13.891 3.305 1.00 0.00 O ATOM 41 CB SER A 5 -19.315 16.571 4.623 1.00 0.00 C ATOM 42 OG SER A 5 -20.030 17.793 4.787 1.00 0.00 O ATOM 0 H SER A 5 -21.589 14.450 5.393 1.00 0.00 H new ATOM 0 HA SER A 5 -21.136 15.880 3.748 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.852 16.292 5.570 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.508 16.716 3.904 1.00 0.00 H new ATOM 0 HG SER A 5 -19.416 18.493 5.094 1.00 0.00 H new ATOM 48 N SER A 6 -20.031 14.810 1.826 1.00 0.00 N ATOM 49 CA SER A 6 -19.475 14.112 0.680 1.00 0.00 C ATOM 50 C SER A 6 -19.794 14.878 -0.605 1.00 0.00 C ATOM 51 O SER A 6 -20.837 15.522 -0.706 1.00 0.00 O ATOM 52 CB SER A 6 -20.011 12.682 0.593 1.00 0.00 C ATOM 53 OG SER A 6 -19.510 11.858 1.642 1.00 0.00 O ATOM 0 H SER A 6 -20.814 15.427 1.611 1.00 0.00 H new ATOM 0 HA SER A 6 -18.393 14.059 0.804 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.100 12.700 0.635 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.737 12.250 -0.369 1.00 0.00 H new ATOM 0 HG SER A 6 -19.031 12.412 2.293 1.00 0.00 H new ATOM 59 N GLY A 7 -18.876 14.783 -1.556 1.00 0.00 N ATOM 60 CA GLY A 7 -19.047 15.459 -2.831 1.00 0.00 C ATOM 61 C GLY A 7 -17.944 15.063 -3.814 1.00 0.00 C ATOM 62 O GLY A 7 -16.790 15.456 -3.649 1.00 0.00 O ATOM 0 H GLY A 7 -18.012 14.248 -1.469 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.021 15.209 -3.252 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.033 16.538 -2.679 1.00 0.00 H new ATOM 66 N HIS A 8 -18.337 14.290 -4.816 1.00 0.00 N ATOM 67 CA HIS A 8 -17.395 13.837 -5.825 1.00 0.00 C ATOM 68 C HIS A 8 -18.113 13.692 -7.169 1.00 0.00 C ATOM 69 O HIS A 8 -19.332 13.838 -7.244 1.00 0.00 O ATOM 70 CB HIS A 8 -16.703 12.547 -5.382 1.00 0.00 C ATOM 71 CG HIS A 8 -15.205 12.672 -5.236 1.00 0.00 C ATOM 72 ND1 HIS A 8 -14.543 12.419 -4.048 1.00 0.00 N ATOM 73 CD2 HIS A 8 -14.248 13.027 -6.142 1.00 0.00 C ATOM 74 CE1 HIS A 8 -13.247 12.615 -4.240 1.00 0.00 C ATOM 75 NE2 HIS A 8 -13.066 12.992 -5.539 1.00 0.00 N ATOM 0 H HIS A 8 -19.295 13.966 -4.950 1.00 0.00 H new ATOM 0 HA HIS A 8 -16.607 14.579 -5.951 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -17.125 12.229 -4.429 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -16.923 11.762 -6.106 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -14.423 13.292 -7.174 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -12.470 12.497 -3.499 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -12.170 13.211 -5.975 1.00 0.00 H new ATOM 83 N SER A 9 -17.327 13.408 -8.196 1.00 0.00 N ATOM 84 CA SER A 9 -17.872 13.242 -9.533 1.00 0.00 C ATOM 85 C SER A 9 -18.105 11.758 -9.823 1.00 0.00 C ATOM 86 O SER A 9 -17.530 10.895 -9.161 1.00 0.00 O ATOM 87 CB SER A 9 -16.942 13.849 -10.586 1.00 0.00 C ATOM 88 OG SER A 9 -17.627 14.131 -11.803 1.00 0.00 O ATOM 0 H SER A 9 -16.316 13.288 -8.130 1.00 0.00 H new ATOM 0 HA SER A 9 -18.825 13.769 -9.582 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.503 14.767 -10.196 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.120 13.161 -10.784 1.00 0.00 H new ATOM 0 HG SER A 9 -17.000 14.519 -12.449 1.00 0.00 H new ATOM 94 N HIS A 10 -18.949 11.507 -10.812 1.00 0.00 N ATOM 95 CA HIS A 10 -19.266 10.142 -11.197 1.00 0.00 C ATOM 96 C HIS A 10 -18.079 9.532 -11.947 1.00 0.00 C ATOM 97 O HIS A 10 -17.294 10.251 -12.564 1.00 0.00 O ATOM 98 CB HIS A 10 -20.565 10.092 -12.004 1.00 0.00 C ATOM 99 CG HIS A 10 -21.777 9.701 -11.193 1.00 0.00 C ATOM 100 ND1 HIS A 10 -22.322 10.518 -10.218 1.00 0.00 N ATOM 101 CD2 HIS A 10 -22.543 8.573 -11.222 1.00 0.00 C ATOM 102 CE1 HIS A 10 -23.368 9.899 -9.690 1.00 0.00 C ATOM 103 NE2 HIS A 10 -23.503 8.694 -10.314 1.00 0.00 N ATOM 0 H HIS A 10 -19.423 12.226 -11.359 1.00 0.00 H new ATOM 0 HA HIS A 10 -19.437 9.540 -10.305 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -20.740 11.070 -12.452 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -20.445 9.383 -12.823 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -22.394 7.725 -11.874 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -24.002 10.282 -8.904 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -24.223 8.000 -10.115 1.00 0.00 H new ATOM 111 N SER A 11 -17.985 8.213 -11.868 1.00 0.00 N ATOM 112 CA SER A 11 -16.908 7.498 -12.531 1.00 0.00 C ATOM 113 C SER A 11 -17.135 5.989 -12.421 1.00 0.00 C ATOM 114 O SER A 11 -16.501 5.320 -11.607 1.00 0.00 O ATOM 115 CB SER A 11 -15.549 7.875 -11.936 1.00 0.00 C ATOM 116 OG SER A 11 -14.770 8.656 -12.837 1.00 0.00 O ATOM 0 H SER A 11 -18.637 7.620 -11.355 1.00 0.00 H new ATOM 0 HA SER A 11 -16.906 7.782 -13.583 1.00 0.00 H new ATOM 0 HB2 SER A 11 -15.700 8.432 -11.011 1.00 0.00 H new ATOM 0 HB3 SER A 11 -15.003 6.968 -11.677 1.00 0.00 H new ATOM 0 HG SER A 11 -15.279 9.449 -13.107 1.00 0.00 H new ATOM 122 N ASP A 12 -18.042 5.498 -13.253 1.00 0.00 N ATOM 123 CA ASP A 12 -18.361 4.081 -13.260 1.00 0.00 C ATOM 124 C ASP A 12 -18.058 3.501 -14.643 1.00 0.00 C ATOM 125 O ASP A 12 -18.968 3.283 -15.442 1.00 0.00 O ATOM 126 CB ASP A 12 -19.844 3.849 -12.965 1.00 0.00 C ATOM 127 CG ASP A 12 -20.811 4.531 -13.935 1.00 0.00 C ATOM 128 OD1 ASP A 12 -20.815 5.781 -13.947 1.00 0.00 O ATOM 129 OD2 ASP A 12 -21.525 3.787 -14.642 1.00 0.00 O ATOM 0 H ASP A 12 -18.566 6.057 -13.927 1.00 0.00 H new ATOM 0 HA ASP A 12 -17.760 3.596 -12.491 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -20.038 2.776 -12.977 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -20.057 4.201 -11.956 1.00 0.00 H new ATOM 134 N LYS A 13 -16.776 3.267 -14.884 1.00 0.00 N ATOM 135 CA LYS A 13 -16.342 2.717 -16.156 1.00 0.00 C ATOM 136 C LYS A 13 -15.304 1.622 -15.906 1.00 0.00 C ATOM 137 O LYS A 13 -15.638 0.545 -15.415 1.00 0.00 O ATOM 138 CB LYS A 13 -15.849 3.831 -17.082 1.00 0.00 C ATOM 139 CG LYS A 13 -17.012 4.709 -17.551 1.00 0.00 C ATOM 140 CD LYS A 13 -17.186 4.623 -19.068 1.00 0.00 C ATOM 141 CE LYS A 13 -16.742 5.921 -19.745 1.00 0.00 C ATOM 142 NZ LYS A 13 -15.266 5.972 -19.851 1.00 0.00 N ATOM 0 H LYS A 13 -16.024 3.449 -14.219 1.00 0.00 H new ATOM 0 HA LYS A 13 -17.180 2.251 -16.674 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.114 4.443 -16.560 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.346 3.395 -17.945 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -17.932 4.395 -17.057 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.832 5.744 -17.260 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -16.604 3.788 -19.458 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -18.230 4.423 -19.307 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -17.186 5.991 -20.738 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -17.101 6.777 -19.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.982 6.859 -20.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.848 5.927 -18.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.930 5.165 -20.415 1.00 0.00 H new ATOM 156 N HIS A 14 -14.064 1.934 -16.255 1.00 0.00 N ATOM 157 CA HIS A 14 -12.975 0.990 -16.074 1.00 0.00 C ATOM 158 C HIS A 14 -12.365 1.171 -14.682 1.00 0.00 C ATOM 159 O HIS A 14 -12.298 2.287 -14.170 1.00 0.00 O ATOM 160 CB HIS A 14 -11.944 1.129 -17.196 1.00 0.00 C ATOM 161 CG HIS A 14 -12.547 1.209 -18.578 1.00 0.00 C ATOM 162 ND1 HIS A 14 -12.755 0.094 -19.371 1.00 0.00 N ATOM 163 CD2 HIS A 14 -12.986 2.281 -19.298 1.00 0.00 C ATOM 164 CE1 HIS A 14 -13.294 0.489 -20.515 1.00 0.00 C ATOM 165 NE2 HIS A 14 -13.435 1.845 -20.468 1.00 0.00 N ATOM 0 H HIS A 14 -13.790 2.828 -16.662 1.00 0.00 H new ATOM 0 HA HIS A 14 -13.358 -0.029 -16.135 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -11.348 2.024 -17.019 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -11.263 0.279 -17.157 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -12.971 3.310 -18.971 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.573 -0.150 -21.340 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -13.822 2.428 -21.210 1.00 0.00 H new ATOM 173 N PRO A 15 -11.924 0.026 -14.095 1.00 0.00 N ATOM 174 CA PRO A 15 -11.322 0.048 -12.773 1.00 0.00 C ATOM 175 C PRO A 15 -9.899 0.609 -12.827 1.00 0.00 C ATOM 176 O PRO A 15 -9.480 1.337 -11.929 1.00 0.00 O ATOM 177 CB PRO A 15 -11.373 -1.394 -12.294 1.00 0.00 C ATOM 178 CG PRO A 15 -11.574 -2.240 -13.540 1.00 0.00 C ATOM 179 CD PRO A 15 -11.987 -1.313 -14.672 1.00 0.00 C ATOM 0 HA PRO A 15 -11.851 0.703 -12.081 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.451 -1.668 -11.781 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -12.188 -1.542 -11.586 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.655 -2.768 -13.795 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -12.339 -2.997 -13.368 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -11.317 -1.408 -15.526 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -12.991 -1.544 -15.027 1.00 0.00 H new ATOM 187 N VAL A 16 -9.196 0.249 -13.891 1.00 0.00 N ATOM 188 CA VAL A 16 -7.829 0.707 -14.074 1.00 0.00 C ATOM 189 C VAL A 16 -7.809 1.837 -15.106 1.00 0.00 C ATOM 190 O VAL A 16 -8.575 1.818 -16.069 1.00 0.00 O ATOM 191 CB VAL A 16 -6.930 -0.469 -14.459 1.00 0.00 C ATOM 192 CG1 VAL A 16 -7.234 -1.696 -13.597 1.00 0.00 C ATOM 193 CG2 VAL A 16 -7.062 -0.798 -15.947 1.00 0.00 C ATOM 0 H VAL A 16 -9.547 -0.354 -14.635 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.433 1.110 -13.142 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.897 -0.175 -14.272 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.581 -2.518 -13.891 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.064 -1.455 -12.548 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.274 -1.991 -13.737 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.412 -1.638 -16.193 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.096 -1.061 -16.171 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.772 0.070 -16.539 1.00 0.00 H new ATOM 203 N THR A 17 -6.925 2.795 -14.870 1.00 0.00 N ATOM 204 CA THR A 17 -6.795 3.931 -15.767 1.00 0.00 C ATOM 205 C THR A 17 -5.331 4.363 -15.872 1.00 0.00 C ATOM 206 O THR A 17 -4.699 4.680 -14.866 1.00 0.00 O ATOM 207 CB THR A 17 -7.720 5.040 -15.262 1.00 0.00 C ATOM 208 OG1 THR A 17 -7.867 4.764 -13.872 1.00 0.00 O ATOM 209 CG2 THR A 17 -9.140 4.917 -15.818 1.00 0.00 C ATOM 0 H THR A 17 -6.292 2.808 -14.071 1.00 0.00 H new ATOM 0 HA THR A 17 -7.098 3.671 -16.781 1.00 0.00 H new ATOM 0 HB THR A 17 -7.306 6.010 -15.536 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.451 5.437 -13.465 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.755 5.728 -15.428 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.111 4.974 -16.906 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.567 3.961 -15.516 1.00 0.00 H new ATOM 217 N TRP A 18 -4.833 4.360 -17.100 1.00 0.00 N ATOM 218 CA TRP A 18 -3.455 4.747 -17.351 1.00 0.00 C ATOM 219 C TRP A 18 -3.468 6.058 -18.139 1.00 0.00 C ATOM 220 O TRP A 18 -3.836 6.077 -19.313 1.00 0.00 O ATOM 221 CB TRP A 18 -2.692 3.628 -18.063 1.00 0.00 C ATOM 222 CG TRP A 18 -2.452 2.390 -17.198 1.00 0.00 C ATOM 223 CD1 TRP A 18 -3.190 1.273 -17.132 1.00 0.00 C ATOM 224 CD2 TRP A 18 -1.364 2.186 -16.272 1.00 0.00 C ATOM 225 NE1 TRP A 18 -2.660 0.369 -16.234 1.00 0.00 N ATOM 226 CE2 TRP A 18 -1.514 0.941 -15.695 1.00 0.00 C ATOM 227 CE3 TRP A 18 -0.289 3.026 -15.932 1.00 0.00 C ATOM 228 CZ2 TRP A 18 -0.626 0.424 -14.744 1.00 0.00 C ATOM 229 CZ3 TRP A 18 0.591 2.495 -14.981 1.00 0.00 C ATOM 230 CH2 TRP A 18 0.453 1.244 -14.391 1.00 0.00 C ATOM 0 H TRP A 18 -5.360 4.095 -17.932 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.923 4.910 -16.414 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.247 3.334 -18.954 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -1.730 4.015 -18.400 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.087 1.102 -17.709 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.040 -0.550 -16.008 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.153 4.004 -16.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.765 -0.554 -14.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.436 3.100 -14.685 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.175 0.906 -13.663 1.00 0.00 H new ATOM 241 N GLN A 19 -3.062 7.122 -17.462 1.00 0.00 N ATOM 242 CA GLN A 19 -3.022 8.434 -18.085 1.00 0.00 C ATOM 243 C GLN A 19 -1.716 9.149 -17.733 1.00 0.00 C ATOM 244 O GLN A 19 -1.154 8.932 -16.661 1.00 0.00 O ATOM 245 CB GLN A 19 -4.234 9.273 -17.674 1.00 0.00 C ATOM 246 CG GLN A 19 -5.452 8.385 -17.410 1.00 0.00 C ATOM 247 CD GLN A 19 -5.519 7.970 -15.939 1.00 0.00 C ATOM 248 OE1 GLN A 19 -4.696 7.220 -15.440 1.00 0.00 O ATOM 249 NE2 GLN A 19 -6.543 8.498 -15.274 1.00 0.00 N ATOM 0 H GLN A 19 -2.758 7.102 -16.489 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.062 8.303 -19.166 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.997 9.847 -16.778 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.467 9.991 -18.460 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.362 8.919 -17.683 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.403 7.497 -18.040 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.196 9.119 -15.752 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.675 8.282 -14.286 1.00 0.00 H new ATOM 258 N PRO A 20 -1.259 10.010 -18.682 1.00 0.00 N ATOM 259 CA PRO A 20 -0.029 10.759 -18.483 1.00 0.00 C ATOM 260 C PRO A 20 -0.240 11.906 -17.493 1.00 0.00 C ATOM 261 O PRO A 20 -1.361 12.380 -17.315 1.00 0.00 O ATOM 262 CB PRO A 20 0.369 11.236 -19.870 1.00 0.00 C ATOM 263 CG PRO A 20 -0.886 11.137 -20.721 1.00 0.00 C ATOM 264 CD PRO A 20 -1.898 10.294 -19.963 1.00 0.00 C ATOM 0 HA PRO A 20 0.764 10.156 -18.041 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.740 12.260 -19.839 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.169 10.620 -20.280 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.290 12.129 -20.922 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.658 10.684 -21.686 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.837 10.830 -19.827 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.131 9.375 -20.502 1.00 0.00 H new ATOM 272 N SER A 21 0.857 12.320 -16.875 1.00 0.00 N ATOM 273 CA SER A 21 0.806 13.403 -15.907 1.00 0.00 C ATOM 274 C SER A 21 0.508 14.725 -16.617 1.00 0.00 C ATOM 275 O SER A 21 0.187 14.738 -17.804 1.00 0.00 O ATOM 276 CB SER A 21 2.117 13.504 -15.125 1.00 0.00 C ATOM 277 OG SER A 21 3.196 13.942 -15.946 1.00 0.00 O ATOM 0 H SER A 21 1.785 11.925 -17.026 1.00 0.00 H new ATOM 0 HA SER A 21 0.006 13.191 -15.197 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.990 14.197 -14.293 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.359 12.532 -14.696 1.00 0.00 H new ATOM 0 HG SER A 21 3.972 14.148 -15.384 1.00 0.00 H new ATOM 283 N LYS A 22 0.625 15.806 -15.859 1.00 0.00 N ATOM 284 CA LYS A 22 0.372 17.130 -16.401 1.00 0.00 C ATOM 285 C LYS A 22 1.293 17.371 -17.599 1.00 0.00 C ATOM 286 O LYS A 22 0.849 17.853 -18.640 1.00 0.00 O ATOM 287 CB LYS A 22 0.499 18.191 -15.305 1.00 0.00 C ATOM 288 CG LYS A 22 -0.859 18.824 -14.995 1.00 0.00 C ATOM 289 CD LYS A 22 -1.487 18.191 -13.752 1.00 0.00 C ATOM 290 CE LYS A 22 -2.978 18.521 -13.663 1.00 0.00 C ATOM 291 NZ LYS A 22 -3.474 18.316 -12.284 1.00 0.00 N ATOM 0 H LYS A 22 0.891 15.792 -14.875 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.652 17.202 -16.766 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.908 17.739 -14.402 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.201 18.963 -15.621 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.738 19.896 -14.840 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.526 18.699 -15.848 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.351 17.110 -13.782 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.977 18.552 -12.859 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.146 19.554 -13.966 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.538 17.891 -14.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.488 18.545 -12.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.331 17.324 -12.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.952 18.935 -11.632 1.00 0.00 H new ATOM 305 N ASP A 23 2.558 17.024 -17.412 1.00 0.00 N ATOM 306 CA ASP A 23 3.544 17.196 -18.465 1.00 0.00 C ATOM 307 C ASP A 23 3.281 16.178 -19.576 1.00 0.00 C ATOM 308 O ASP A 23 2.807 16.537 -20.653 1.00 0.00 O ATOM 309 CB ASP A 23 4.961 16.963 -17.936 1.00 0.00 C ATOM 310 CG ASP A 23 5.885 18.181 -18.002 1.00 0.00 C ATOM 311 OD1 ASP A 23 5.458 19.245 -17.505 1.00 0.00 O ATOM 312 OD2 ASP A 23 6.997 18.020 -18.549 1.00 0.00 O ATOM 0 H ASP A 23 2.923 16.625 -16.547 1.00 0.00 H new ATOM 0 HA ASP A 23 3.462 18.216 -18.840 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.896 16.631 -16.900 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.415 16.150 -18.503 1.00 0.00 H new ATOM 317 N GLY A 24 3.600 14.927 -19.277 1.00 0.00 N ATOM 318 CA GLY A 24 3.404 13.855 -20.237 1.00 0.00 C ATOM 319 C GLY A 24 4.559 12.852 -20.183 1.00 0.00 C ATOM 320 O GLY A 24 4.368 11.665 -20.440 1.00 0.00 O ATOM 0 H GLY A 24 3.993 14.632 -18.383 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.464 13.344 -20.030 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.326 14.271 -21.241 1.00 0.00 H new ATOM 324 N ASP A 25 5.733 13.368 -19.847 1.00 0.00 N ATOM 325 CA ASP A 25 6.918 12.533 -19.755 1.00 0.00 C ATOM 326 C ASP A 25 6.646 11.371 -18.798 1.00 0.00 C ATOM 327 O ASP A 25 7.215 10.291 -18.950 1.00 0.00 O ATOM 328 CB ASP A 25 8.109 13.325 -19.211 1.00 0.00 C ATOM 329 CG ASP A 25 8.909 14.095 -20.264 1.00 0.00 C ATOM 330 OD1 ASP A 25 8.657 13.845 -21.462 1.00 0.00 O ATOM 331 OD2 ASP A 25 9.755 14.915 -19.846 1.00 0.00 O ATOM 0 H ASP A 25 5.888 14.354 -19.635 1.00 0.00 H new ATOM 0 HA ASP A 25 7.153 12.170 -20.756 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.746 14.031 -18.464 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.780 12.636 -18.698 1.00 0.00 H new ATOM 336 N ARG A 26 5.777 11.632 -17.833 1.00 0.00 N ATOM 337 CA ARG A 26 5.422 10.622 -16.851 1.00 0.00 C ATOM 338 C ARG A 26 4.064 10.005 -17.191 1.00 0.00 C ATOM 339 O ARG A 26 3.272 10.601 -17.919 1.00 0.00 O ATOM 340 CB ARG A 26 5.366 11.217 -15.443 1.00 0.00 C ATOM 341 CG ARG A 26 6.772 11.505 -14.913 1.00 0.00 C ATOM 342 CD ARG A 26 7.370 10.266 -14.243 1.00 0.00 C ATOM 343 NE ARG A 26 8.789 10.114 -14.634 1.00 0.00 N ATOM 344 CZ ARG A 26 9.780 10.897 -14.184 1.00 0.00 C ATOM 345 NH1 ARG A 26 9.512 11.891 -13.326 1.00 0.00 N ATOM 346 NH2 ARG A 26 11.038 10.686 -14.593 1.00 0.00 N ATOM 0 H ARG A 26 5.308 12.529 -17.710 1.00 0.00 H new ATOM 0 HA ARG A 26 6.192 9.851 -16.876 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.783 12.138 -15.456 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.855 10.526 -14.772 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.415 11.826 -15.733 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.734 12.327 -14.198 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.290 10.354 -13.160 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.807 9.379 -14.533 1.00 0.00 H new ATOM 0 HE ARG A 26 9.028 9.367 -15.286 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.554 12.052 -13.015 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.266 12.487 -12.984 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.242 9.930 -15.247 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.792 11.281 -14.251 1.00 0.00 H new ATOM 360 N LEU A 27 3.836 8.818 -16.647 1.00 0.00 N ATOM 361 CA LEU A 27 2.587 8.114 -16.883 1.00 0.00 C ATOM 362 C LEU A 27 1.951 7.749 -15.541 1.00 0.00 C ATOM 363 O LEU A 27 2.473 6.909 -14.810 1.00 0.00 O ATOM 364 CB LEU A 27 2.815 6.913 -17.803 1.00 0.00 C ATOM 365 CG LEU A 27 1.702 6.618 -18.810 1.00 0.00 C ATOM 366 CD1 LEU A 27 0.395 7.299 -18.398 1.00 0.00 C ATOM 367 CD2 LEU A 27 2.128 7.005 -20.227 1.00 0.00 C ATOM 0 H LEU A 27 4.495 8.326 -16.044 1.00 0.00 H new ATOM 0 HA LEU A 27 1.880 8.757 -17.406 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.742 7.073 -18.353 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.961 6.028 -17.183 1.00 0.00 H new ATOM 0 HG LEU A 27 1.519 5.544 -18.811 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.380 7.073 -19.131 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.086 6.932 -17.419 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.546 8.377 -18.350 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.319 6.785 -20.923 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.356 8.070 -20.260 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.014 6.436 -20.509 1.00 0.00 H new ATOM 379 N ILE A 28 0.831 8.398 -15.257 1.00 0.00 N ATOM 380 CA ILE A 28 0.118 8.153 -14.015 1.00 0.00 C ATOM 381 C ILE A 28 -0.943 7.075 -14.246 1.00 0.00 C ATOM 382 O ILE A 28 -1.867 7.268 -15.035 1.00 0.00 O ATOM 383 CB ILE A 28 -0.445 9.459 -13.453 1.00 0.00 C ATOM 384 CG1 ILE A 28 0.612 10.565 -13.473 1.00 0.00 C ATOM 385 CG2 ILE A 28 -1.028 9.248 -12.054 1.00 0.00 C ATOM 386 CD1 ILE A 28 1.902 10.103 -12.793 1.00 0.00 C ATOM 0 H ILE A 28 0.400 9.093 -15.866 1.00 0.00 H new ATOM 0 HA ILE A 28 0.799 7.773 -13.253 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.263 9.783 -14.097 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.823 10.853 -14.503 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.227 11.450 -12.967 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.421 10.192 -11.678 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.832 8.513 -12.102 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.247 8.888 -11.385 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.636 10.908 -12.821 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.692 9.839 -11.756 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.298 9.232 -13.316 1.00 0.00 H new ATOM 398 N GLY A 29 -0.775 5.964 -13.545 1.00 0.00 N ATOM 399 CA GLY A 29 -1.706 4.855 -13.664 1.00 0.00 C ATOM 400 C GLY A 29 -2.467 4.635 -12.354 1.00 0.00 C ATOM 401 O GLY A 29 -1.877 4.673 -11.276 1.00 0.00 O ATOM 0 H GLY A 29 -0.007 5.808 -12.892 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.412 5.053 -14.470 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.164 3.948 -13.931 1.00 0.00 H new ATOM 405 N ARG A 30 -3.765 4.410 -12.492 1.00 0.00 N ATOM 406 CA ARG A 30 -4.612 4.184 -11.333 1.00 0.00 C ATOM 407 C ARG A 30 -5.385 2.872 -11.488 1.00 0.00 C ATOM 408 O ARG A 30 -6.220 2.741 -12.382 1.00 0.00 O ATOM 409 CB ARG A 30 -5.605 5.333 -11.145 1.00 0.00 C ATOM 410 CG ARG A 30 -5.533 5.892 -9.723 1.00 0.00 C ATOM 411 CD ARG A 30 -6.467 7.093 -9.557 1.00 0.00 C ATOM 412 NE ARG A 30 -5.680 8.308 -9.251 1.00 0.00 N ATOM 413 CZ ARG A 30 -6.210 9.448 -8.787 1.00 0.00 C ATOM 414 NH1 ARG A 30 -7.529 9.536 -8.573 1.00 0.00 N ATOM 415 NH2 ARG A 30 -5.419 10.501 -8.537 1.00 0.00 N ATOM 0 H ARG A 30 -4.251 4.379 -13.388 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.967 4.128 -10.456 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.390 6.125 -11.862 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.616 4.982 -11.351 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.804 5.115 -9.009 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.509 6.189 -9.497 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.044 7.244 -10.469 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.181 6.901 -8.756 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.672 8.276 -9.403 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.131 8.735 -8.763 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.932 10.404 -8.220 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.414 10.434 -8.700 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.822 11.369 -8.184 1.00 0.00 H new ATOM 429 N ILE A 31 -5.078 1.934 -10.604 1.00 0.00 N ATOM 430 CA ILE A 31 -5.732 0.637 -10.631 1.00 0.00 C ATOM 431 C ILE A 31 -6.850 0.613 -9.587 1.00 0.00 C ATOM 432 O ILE A 31 -6.840 1.402 -8.643 1.00 0.00 O ATOM 433 CB ILE A 31 -4.706 -0.484 -10.460 1.00 0.00 C ATOM 434 CG1 ILE A 31 -3.744 -0.534 -11.649 1.00 0.00 C ATOM 435 CG2 ILE A 31 -5.397 -1.829 -10.226 1.00 0.00 C ATOM 436 CD1 ILE A 31 -2.527 0.361 -11.408 1.00 0.00 C ATOM 0 H ILE A 31 -4.385 2.047 -9.864 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.198 0.465 -11.601 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.111 -0.269 -9.573 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.418 -1.561 -11.814 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.261 -0.214 -12.554 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.645 -2.609 -10.108 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.006 -1.773 -9.324 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.033 -2.065 -11.079 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.860 0.307 -12.268 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.855 1.391 -11.267 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.998 0.024 -10.517 1.00 0.00 H new ATOM 448 N LEU A 32 -7.787 -0.301 -9.791 1.00 0.00 N ATOM 449 CA LEU A 32 -8.910 -0.438 -8.878 1.00 0.00 C ATOM 450 C LEU A 32 -9.234 -1.922 -8.695 1.00 0.00 C ATOM 451 O LEU A 32 -9.180 -2.696 -9.650 1.00 0.00 O ATOM 452 CB LEU A 32 -10.098 0.395 -9.361 1.00 0.00 C ATOM 453 CG LEU A 32 -11.334 0.387 -8.460 1.00 0.00 C ATOM 454 CD1 LEU A 32 -12.123 -0.913 -8.624 1.00 0.00 C ATOM 455 CD2 LEU A 32 -10.950 0.645 -7.001 1.00 0.00 C ATOM 0 H LEU A 32 -7.792 -0.954 -10.575 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.652 -0.043 -7.895 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.768 1.427 -9.482 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.390 0.036 -10.348 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.988 1.202 -8.770 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.997 -0.893 -7.972 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.445 -1.015 -9.660 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.490 -1.759 -8.356 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.847 0.634 -6.381 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.265 -0.132 -6.662 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.464 1.617 -6.919 1.00 0.00 H new ATOM 467 N LEU A 33 -9.563 -2.276 -7.462 1.00 0.00 N ATOM 468 CA LEU A 33 -9.896 -3.653 -7.141 1.00 0.00 C ATOM 469 C LEU A 33 -11.163 -3.681 -6.285 1.00 0.00 C ATOM 470 O LEU A 33 -11.359 -2.817 -5.431 1.00 0.00 O ATOM 471 CB LEU A 33 -8.701 -4.356 -6.494 1.00 0.00 C ATOM 472 CG LEU A 33 -7.357 -4.189 -7.207 1.00 0.00 C ATOM 473 CD1 LEU A 33 -6.195 -4.294 -6.218 1.00 0.00 C ATOM 474 CD2 LEU A 33 -7.221 -5.186 -8.360 1.00 0.00 C ATOM 0 H LEU A 33 -9.606 -1.632 -6.672 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.113 -4.214 -8.050 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.597 -3.987 -5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.924 -5.421 -6.427 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.321 -3.189 -7.640 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.252 -4.172 -6.751 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.289 -3.514 -5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.215 -5.271 -5.735 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.257 -5.046 -8.850 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.287 -6.202 -7.972 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.022 -5.020 -9.081 1.00 0.00 H new ATOM 486 N ASN A 34 -11.991 -4.683 -6.542 1.00 0.00 N ATOM 487 CA ASN A 34 -13.234 -4.835 -5.805 1.00 0.00 C ATOM 488 C ASN A 34 -13.279 -6.227 -5.171 1.00 0.00 C ATOM 489 O ASN A 34 -12.660 -7.163 -5.674 1.00 0.00 O ATOM 490 CB ASN A 34 -14.444 -4.699 -6.732 1.00 0.00 C ATOM 491 CG ASN A 34 -15.741 -4.591 -5.928 1.00 0.00 C ATOM 492 OD1 ASN A 34 -16.317 -5.576 -5.495 1.00 0.00 O ATOM 493 ND2 ASN A 34 -16.168 -3.344 -5.754 1.00 0.00 N ATOM 0 H ASN A 34 -11.825 -5.398 -7.251 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.273 -4.055 -5.044 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -14.327 -3.817 -7.361 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.495 -5.561 -7.398 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -17.026 -3.167 -5.231 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.638 -2.564 -6.143 1.00 0.00 H new ATOM 500 N LYS A 35 -14.018 -6.319 -4.075 1.00 0.00 N ATOM 501 CA LYS A 35 -14.152 -7.580 -3.366 1.00 0.00 C ATOM 502 C LYS A 35 -15.622 -8.005 -3.363 1.00 0.00 C ATOM 503 O LYS A 35 -15.933 -9.179 -3.557 1.00 0.00 O ATOM 504 CB LYS A 35 -13.538 -7.478 -1.969 1.00 0.00 C ATOM 505 CG LYS A 35 -12.057 -7.101 -2.046 1.00 0.00 C ATOM 506 CD LYS A 35 -11.524 -6.686 -0.674 1.00 0.00 C ATOM 507 CE LYS A 35 -10.130 -7.267 -0.428 1.00 0.00 C ATOM 508 NZ LYS A 35 -9.090 -6.244 -0.681 1.00 0.00 N ATOM 0 H LYS A 35 -14.530 -5.540 -3.661 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.594 -8.365 -3.877 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -14.077 -6.732 -1.385 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.648 -8.430 -1.449 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.482 -7.947 -2.423 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.923 -6.284 -2.755 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.485 -5.599 -0.609 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.207 -7.028 0.104 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.055 -7.625 0.599 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.968 -8.127 -1.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.150 -6.655 -0.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.152 -5.922 -1.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.236 -5.435 -0.043 1.00 0.00 H new ATOM 522 N ARG A 36 -16.487 -7.026 -3.140 1.00 0.00 N ATOM 523 CA ARG A 36 -17.916 -7.284 -3.109 1.00 0.00 C ATOM 524 C ARG A 36 -18.303 -8.268 -4.215 1.00 0.00 C ATOM 525 O ARG A 36 -18.166 -7.961 -5.399 1.00 0.00 O ATOM 526 CB ARG A 36 -18.713 -5.990 -3.286 1.00 0.00 C ATOM 527 CG ARG A 36 -18.632 -5.120 -2.029 1.00 0.00 C ATOM 528 CD ARG A 36 -19.120 -3.698 -2.314 1.00 0.00 C ATOM 529 NE ARG A 36 -20.577 -3.605 -2.074 1.00 0.00 N ATOM 530 CZ ARG A 36 -21.236 -2.454 -1.885 1.00 0.00 C ATOM 531 NH1 ARG A 36 -20.571 -1.290 -1.907 1.00 0.00 N ATOM 532 NH2 ARG A 36 -22.559 -2.465 -1.674 1.00 0.00 N ATOM 0 H ARG A 36 -16.225 -6.053 -2.979 1.00 0.00 H new ATOM 0 HA ARG A 36 -18.154 -7.714 -2.136 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -18.328 -5.436 -4.142 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -19.755 -6.227 -3.502 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -19.235 -5.563 -1.236 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -17.604 -5.090 -1.669 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -18.592 -2.989 -1.676 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -18.895 -3.427 -3.346 1.00 0.00 H new ATOM 0 HE ARG A 36 -21.114 -4.472 -2.051 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -19.564 -1.281 -2.068 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -21.072 -0.413 -1.763 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -23.065 -3.350 -1.657 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -23.060 -1.588 -1.530 1.00 0.00 H new ATOM 546 N LEU A 37 -18.777 -9.429 -3.790 1.00 0.00 N ATOM 547 CA LEU A 37 -19.184 -10.460 -4.730 1.00 0.00 C ATOM 548 C LEU A 37 -20.212 -9.880 -5.703 1.00 0.00 C ATOM 549 O LEU A 37 -20.641 -8.737 -5.550 1.00 0.00 O ATOM 550 CB LEU A 37 -19.677 -11.702 -3.984 1.00 0.00 C ATOM 551 CG LEU A 37 -18.688 -12.328 -2.998 1.00 0.00 C ATOM 552 CD1 LEU A 37 -19.409 -12.840 -1.749 1.00 0.00 C ATOM 553 CD2 LEU A 37 -17.861 -13.423 -3.672 1.00 0.00 C ATOM 0 H LEU A 37 -18.889 -9.679 -2.807 1.00 0.00 H new ATOM 0 HA LEU A 37 -18.332 -10.790 -5.324 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.584 -11.439 -3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -19.954 -12.457 -4.719 1.00 0.00 H new ATOM 0 HG LEU A 37 -17.993 -11.554 -2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.684 -13.280 -1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.916 -12.011 -1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -20.142 -13.595 -2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -17.166 -13.851 -2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -18.525 -14.204 -4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -17.301 -12.996 -4.504 1.00 0.00 H new ATOM 565 N LYS A 38 -20.578 -10.693 -6.683 1.00 0.00 N ATOM 566 CA LYS A 38 -21.548 -10.275 -7.681 1.00 0.00 C ATOM 567 C LYS A 38 -22.755 -9.647 -6.981 1.00 0.00 C ATOM 568 O LYS A 38 -23.190 -8.556 -7.346 1.00 0.00 O ATOM 569 CB LYS A 38 -21.909 -11.443 -8.600 1.00 0.00 C ATOM 570 CG LYS A 38 -21.800 -11.037 -10.071 1.00 0.00 C ATOM 571 CD LYS A 38 -23.165 -10.628 -10.629 1.00 0.00 C ATOM 572 CE LYS A 38 -23.093 -10.398 -12.140 1.00 0.00 C ATOM 573 NZ LYS A 38 -23.140 -11.688 -12.863 1.00 0.00 N ATOM 0 H LYS A 38 -20.220 -11.640 -6.807 1.00 0.00 H new ATOM 0 HA LYS A 38 -21.121 -9.510 -8.330 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -21.246 -12.285 -8.401 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -22.924 -11.779 -8.386 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -21.099 -10.209 -10.172 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -21.399 -11.867 -10.653 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -23.899 -11.404 -10.410 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -23.506 -9.718 -10.135 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -23.922 -9.766 -12.458 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -22.174 -9.868 -12.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -23.090 -11.514 -13.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -22.335 -12.278 -12.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -24.028 -12.180 -12.638 1.00 0.00 H new ATOM 587 N ASP A 39 -23.261 -10.363 -5.988 1.00 0.00 N ATOM 588 CA ASP A 39 -24.410 -9.890 -5.234 1.00 0.00 C ATOM 589 C ASP A 39 -24.131 -8.475 -4.724 1.00 0.00 C ATOM 590 O ASP A 39 -24.985 -7.595 -4.829 1.00 0.00 O ATOM 591 CB ASP A 39 -24.680 -10.785 -4.023 1.00 0.00 C ATOM 592 CG ASP A 39 -24.654 -12.287 -4.310 1.00 0.00 C ATOM 593 OD1 ASP A 39 -25.605 -12.755 -4.973 1.00 0.00 O ATOM 594 OD2 ASP A 39 -23.684 -12.934 -3.859 1.00 0.00 O ATOM 0 H ASP A 39 -22.897 -11.267 -5.688 1.00 0.00 H new ATOM 0 HA ASP A 39 -25.277 -9.906 -5.894 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -23.939 -10.564 -3.255 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -25.655 -10.526 -3.609 1.00 0.00 H new ATOM 599 N GLY A 40 -22.934 -8.299 -4.184 1.00 0.00 N ATOM 600 CA GLY A 40 -22.533 -7.006 -3.658 1.00 0.00 C ATOM 601 C GLY A 40 -22.182 -7.104 -2.172 1.00 0.00 C ATOM 602 O GLY A 40 -22.596 -6.262 -1.376 1.00 0.00 O ATOM 0 H GLY A 40 -22.229 -9.031 -4.100 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -21.673 -6.634 -4.215 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -23.339 -6.286 -3.798 1.00 0.00 H new ATOM 606 N SER A 41 -21.422 -8.138 -1.843 1.00 0.00 N ATOM 607 CA SER A 41 -21.011 -8.357 -0.466 1.00 0.00 C ATOM 608 C SER A 41 -19.600 -8.948 -0.430 1.00 0.00 C ATOM 609 O SER A 41 -19.305 -9.903 -1.146 1.00 0.00 O ATOM 610 CB SER A 41 -21.992 -9.278 0.262 1.00 0.00 C ATOM 611 OG SER A 41 -21.993 -10.594 -0.284 1.00 0.00 O ATOM 0 H SER A 41 -21.080 -8.834 -2.506 1.00 0.00 H new ATOM 0 HA SER A 41 -21.009 -7.396 0.048 1.00 0.00 H new ATOM 0 HB2 SER A 41 -21.730 -9.324 1.319 1.00 0.00 H new ATOM 0 HB3 SER A 41 -22.996 -8.859 0.201 1.00 0.00 H new ATOM 0 HG SER A 41 -22.630 -11.152 0.209 1.00 0.00 H new ATOM 617 N VAL A 42 -18.767 -8.355 0.413 1.00 0.00 N ATOM 618 CA VAL A 42 -17.394 -8.811 0.553 1.00 0.00 C ATOM 619 C VAL A 42 -17.374 -10.120 1.345 1.00 0.00 C ATOM 620 O VAL A 42 -18.009 -10.225 2.393 1.00 0.00 O ATOM 621 CB VAL A 42 -16.541 -7.713 1.191 1.00 0.00 C ATOM 622 CG1 VAL A 42 -15.128 -8.220 1.488 1.00 0.00 C ATOM 623 CG2 VAL A 42 -16.500 -6.466 0.306 1.00 0.00 C ATOM 0 H VAL A 42 -19.016 -7.563 1.006 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.958 -9.016 -0.425 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.005 -7.437 2.138 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.542 -7.420 1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -15.181 -9.065 2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.653 -8.537 0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.887 -5.701 0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.072 -6.722 -0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.512 -6.085 0.167 1.00 0.00 H new ATOM 633 N PRO A 43 -16.619 -11.110 0.799 1.00 0.00 N ATOM 634 CA PRO A 43 -16.508 -12.408 1.443 1.00 0.00 C ATOM 635 C PRO A 43 -15.592 -12.336 2.666 1.00 0.00 C ATOM 636 O PRO A 43 -14.939 -11.320 2.899 1.00 0.00 O ATOM 637 CB PRO A 43 -15.984 -13.340 0.362 1.00 0.00 C ATOM 638 CG PRO A 43 -15.382 -12.442 -0.707 1.00 0.00 C ATOM 639 CD PRO A 43 -15.853 -11.021 -0.441 1.00 0.00 C ATOM 0 HA PRO A 43 -17.460 -12.767 1.833 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -15.236 -14.023 0.764 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -16.787 -13.952 -0.049 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.294 -12.495 -0.681 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -15.693 -12.768 -1.699 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -15.010 -10.337 -0.338 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -16.468 -10.648 -1.260 1.00 0.00 H new ATOM 647 N ARG A 44 -15.573 -13.428 3.417 1.00 0.00 N ATOM 648 CA ARG A 44 -14.748 -13.502 4.610 1.00 0.00 C ATOM 649 C ARG A 44 -13.352 -12.944 4.326 1.00 0.00 C ATOM 650 O ARG A 44 -12.724 -12.357 5.206 1.00 0.00 O ATOM 651 CB ARG A 44 -14.623 -14.945 5.105 1.00 0.00 C ATOM 652 CG ARG A 44 -15.848 -15.352 5.925 1.00 0.00 C ATOM 653 CD ARG A 44 -15.502 -15.463 7.411 1.00 0.00 C ATOM 654 NE ARG A 44 -15.504 -16.883 7.827 1.00 0.00 N ATOM 655 CZ ARG A 44 -15.392 -17.294 9.097 1.00 0.00 C ATOM 656 NH1 ARG A 44 -15.269 -16.396 10.084 1.00 0.00 N ATOM 657 NH2 ARG A 44 -15.404 -18.603 9.382 1.00 0.00 N ATOM 0 H ARG A 44 -16.116 -14.269 3.222 1.00 0.00 H new ATOM 0 HA ARG A 44 -15.230 -12.905 5.384 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.511 -15.617 4.254 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.724 -15.048 5.712 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -16.642 -14.618 5.787 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -16.230 -16.307 5.565 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.523 -15.022 7.599 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -16.224 -14.901 8.004 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.596 -17.594 7.101 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -15.261 -15.399 9.868 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -15.184 -16.709 11.051 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -15.498 -19.287 8.632 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -15.319 -18.915 10.349 1.00 0.00 H new ATOM 671 N ASP A 45 -12.908 -13.147 3.095 1.00 0.00 N ATOM 672 CA ASP A 45 -11.598 -12.672 2.684 1.00 0.00 C ATOM 673 C ASP A 45 -11.454 -12.832 1.169 1.00 0.00 C ATOM 674 O ASP A 45 -11.242 -13.938 0.675 1.00 0.00 O ATOM 675 CB ASP A 45 -10.484 -13.480 3.352 1.00 0.00 C ATOM 676 CG ASP A 45 -10.813 -14.954 3.599 1.00 0.00 C ATOM 677 OD1 ASP A 45 -11.516 -15.219 4.598 1.00 0.00 O ATOM 678 OD2 ASP A 45 -10.355 -15.782 2.782 1.00 0.00 O ATOM 0 H ASP A 45 -13.432 -13.634 2.368 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.512 -11.626 2.979 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.591 -13.422 2.730 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -10.239 -13.013 4.306 1.00 0.00 H new ATOM 683 N SER A 46 -11.576 -11.710 0.474 1.00 0.00 N ATOM 684 CA SER A 46 -11.463 -11.712 -0.975 1.00 0.00 C ATOM 685 C SER A 46 -10.047 -11.304 -1.389 1.00 0.00 C ATOM 686 O SER A 46 -9.871 -10.519 -2.319 1.00 0.00 O ATOM 687 CB SER A 46 -12.492 -10.774 -1.609 1.00 0.00 C ATOM 688 OG SER A 46 -13.412 -11.475 -2.441 1.00 0.00 O ATOM 0 H SER A 46 -11.752 -10.794 0.887 1.00 0.00 H new ATOM 0 HA SER A 46 -11.663 -12.722 -1.333 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.039 -10.252 -0.824 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.977 -10.015 -2.198 1.00 0.00 H new ATOM 0 HG SER A 46 -14.212 -10.926 -2.579 1.00 0.00 H new ATOM 694 N GLY A 47 -9.075 -11.858 -0.679 1.00 0.00 N ATOM 695 CA GLY A 47 -7.681 -11.562 -0.961 1.00 0.00 C ATOM 696 C GLY A 47 -7.255 -10.248 -0.304 1.00 0.00 C ATOM 697 O GLY A 47 -7.329 -9.187 -0.922 1.00 0.00 O ATOM 0 H GLY A 47 -9.225 -12.510 0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.052 -12.375 -0.597 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.530 -11.500 -2.039 1.00 0.00 H new ATOM 701 N ALA A 48 -6.818 -10.361 0.942 1.00 0.00 N ATOM 702 CA ALA A 48 -6.381 -9.195 1.691 1.00 0.00 C ATOM 703 C ALA A 48 -5.336 -8.432 0.873 1.00 0.00 C ATOM 704 O ALA A 48 -5.471 -7.228 0.656 1.00 0.00 O ATOM 705 CB ALA A 48 -5.845 -9.635 3.055 1.00 0.00 C ATOM 0 H ALA A 48 -6.757 -11.242 1.452 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.217 -8.520 1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.517 -8.760 3.617 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.633 -10.147 3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.002 -10.312 2.914 1.00 0.00 H new ATOM 711 N MET A 49 -4.319 -9.163 0.442 1.00 0.00 N ATOM 712 CA MET A 49 -3.253 -8.570 -0.347 1.00 0.00 C ATOM 713 C MET A 49 -3.598 -8.587 -1.837 1.00 0.00 C ATOM 714 O MET A 49 -2.735 -8.354 -2.681 1.00 0.00 O ATOM 715 CB MET A 49 -1.954 -9.345 -0.115 1.00 0.00 C ATOM 716 CG MET A 49 -1.044 -8.608 0.870 1.00 0.00 C ATOM 717 SD MET A 49 0.664 -8.810 0.391 1.00 0.00 S ATOM 718 CE MET A 49 1.361 -7.325 1.095 1.00 0.00 C ATOM 0 H MET A 49 -4.211 -10.161 0.624 1.00 0.00 H new ATOM 0 HA MET A 49 -3.129 -7.533 -0.034 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.183 -10.339 0.270 1.00 0.00 H new ATOM 0 HB3 MET A 49 -1.434 -9.482 -1.063 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.301 -7.549 0.893 1.00 0.00 H new ATOM 0 HG3 MET A 49 -1.196 -8.995 1.878 1.00 0.00 H new ATOM 0 HE1 MET A 49 2.430 -7.291 0.887 1.00 0.00 H new ATOM 0 HE2 MET A 49 0.878 -6.452 0.655 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.201 -7.324 2.173 1.00 0.00 H new ATOM 728 N LEU A 50 -4.863 -8.866 -2.115 1.00 0.00 N ATOM 729 CA LEU A 50 -5.334 -8.917 -3.489 1.00 0.00 C ATOM 730 C LEU A 50 -4.684 -10.104 -4.203 1.00 0.00 C ATOM 731 O LEU A 50 -5.338 -11.115 -4.456 1.00 0.00 O ATOM 732 CB LEU A 50 -5.098 -7.576 -4.186 1.00 0.00 C ATOM 733 CG LEU A 50 -5.840 -6.374 -3.598 1.00 0.00 C ATOM 734 CD1 LEU A 50 -7.341 -6.463 -3.885 1.00 0.00 C ATOM 735 CD2 LEU A 50 -5.550 -6.228 -2.103 1.00 0.00 C ATOM 0 H LEU A 50 -5.577 -9.059 -1.412 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.412 -9.079 -3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.029 -7.363 -4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.384 -7.678 -5.233 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.471 -5.472 -4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.845 -5.597 -3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.505 -6.482 -4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.743 -7.374 -3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.090 -5.366 -1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.874 -7.128 -1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.480 -6.086 -1.952 1.00 0.00 H new ATOM 747 N GLY A 51 -3.404 -9.942 -4.507 1.00 0.00 N ATOM 748 CA GLY A 51 -2.658 -10.988 -5.186 1.00 0.00 C ATOM 749 C GLY A 51 -1.305 -10.467 -5.674 1.00 0.00 C ATOM 750 O GLY A 51 -0.863 -10.808 -6.770 1.00 0.00 O ATOM 0 H GLY A 51 -2.865 -9.102 -4.296 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.505 -11.829 -4.509 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.235 -11.361 -6.032 1.00 0.00 H new ATOM 754 N LEU A 52 -0.684 -9.650 -4.836 1.00 0.00 N ATOM 755 CA LEU A 52 0.610 -9.079 -5.168 1.00 0.00 C ATOM 756 C LEU A 52 1.325 -8.664 -3.881 1.00 0.00 C ATOM 757 O LEU A 52 0.684 -8.443 -2.855 1.00 0.00 O ATOM 758 CB LEU A 52 0.450 -7.941 -6.178 1.00 0.00 C ATOM 759 CG LEU A 52 0.474 -6.524 -5.600 1.00 0.00 C ATOM 760 CD1 LEU A 52 1.891 -6.128 -5.180 1.00 0.00 C ATOM 761 CD2 LEU A 52 -0.134 -5.521 -6.582 1.00 0.00 C ATOM 0 H LEU A 52 -1.053 -9.370 -3.927 1.00 0.00 H new ATOM 0 HA LEU A 52 1.240 -9.822 -5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.246 -8.024 -6.918 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.493 -8.081 -6.707 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.144 -6.510 -4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.881 -5.117 -4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.253 -6.821 -4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.551 -6.163 -6.047 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.105 -4.522 -6.147 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.437 -5.529 -7.511 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.168 -5.796 -6.789 1.00 0.00 H new ATOM 773 N LYS A 53 2.643 -8.571 -3.978 1.00 0.00 N ATOM 774 CA LYS A 53 3.452 -8.187 -2.834 1.00 0.00 C ATOM 775 C LYS A 53 3.939 -6.748 -3.019 1.00 0.00 C ATOM 776 O LYS A 53 4.388 -6.376 -4.102 1.00 0.00 O ATOM 777 CB LYS A 53 4.582 -9.194 -2.614 1.00 0.00 C ATOM 778 CG LYS A 53 4.977 -9.261 -1.137 1.00 0.00 C ATOM 779 CD LYS A 53 5.810 -8.042 -0.737 1.00 0.00 C ATOM 780 CE LYS A 53 7.300 -8.388 -0.685 1.00 0.00 C ATOM 781 NZ LYS A 53 7.509 -9.668 0.029 1.00 0.00 N ATOM 0 H LYS A 53 3.171 -8.755 -4.831 1.00 0.00 H new ATOM 0 HA LYS A 53 2.855 -8.208 -1.922 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.267 -10.180 -2.955 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.448 -8.911 -3.213 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.081 -9.312 -0.519 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.546 -10.172 -0.950 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.645 -7.235 -1.451 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.483 -7.678 0.237 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.699 -8.460 -1.697 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.848 -7.591 -0.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.406 -9.630 0.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.725 -9.826 0.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.542 -10.448 -0.659 1.00 0.00 H new ATOM 795 N VAL A 54 3.833 -5.978 -1.946 1.00 0.00 N ATOM 796 CA VAL A 54 4.257 -4.589 -1.977 1.00 0.00 C ATOM 797 C VAL A 54 5.277 -4.346 -0.863 1.00 0.00 C ATOM 798 O VAL A 54 5.198 -4.960 0.200 1.00 0.00 O ATOM 799 CB VAL A 54 3.038 -3.668 -1.882 1.00 0.00 C ATOM 800 CG1 VAL A 54 3.463 -2.199 -1.841 1.00 0.00 C ATOM 801 CG2 VAL A 54 2.066 -3.925 -3.035 1.00 0.00 C ATOM 0 H VAL A 54 3.460 -6.290 -1.050 1.00 0.00 H new ATOM 0 HA VAL A 54 4.748 -4.361 -2.923 1.00 0.00 H new ATOM 0 HB VAL A 54 2.520 -3.893 -0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.578 -1.566 -1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.098 -2.028 -0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.016 -1.955 -2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.209 -3.258 -2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.570 -3.741 -3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.726 -4.960 -3.000 1.00 0.00 H new ATOM 811 N VAL A 55 6.212 -3.451 -1.145 1.00 0.00 N ATOM 812 CA VAL A 55 7.247 -3.120 -0.181 1.00 0.00 C ATOM 813 C VAL A 55 7.430 -1.601 -0.137 1.00 0.00 C ATOM 814 O VAL A 55 7.889 -0.999 -1.106 1.00 0.00 O ATOM 815 CB VAL A 55 8.537 -3.868 -0.520 1.00 0.00 C ATOM 816 CG1 VAL A 55 8.880 -3.724 -2.004 1.00 0.00 C ATOM 817 CG2 VAL A 55 9.695 -3.391 0.359 1.00 0.00 C ATOM 0 H VAL A 55 6.274 -2.944 -2.028 1.00 0.00 H new ATOM 0 HA VAL A 55 6.955 -3.441 0.819 1.00 0.00 H new ATOM 0 HB VAL A 55 8.375 -4.926 -0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.802 -4.265 -2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.070 -4.134 -2.606 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.014 -2.670 -2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.600 -3.939 0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.857 -2.325 0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.453 -3.569 1.407 1.00 0.00 H new ATOM 827 N GLY A 56 7.062 -1.026 0.999 1.00 0.00 N ATOM 828 CA GLY A 56 7.180 0.411 1.182 1.00 0.00 C ATOM 829 C GLY A 56 8.396 0.756 2.044 1.00 0.00 C ATOM 830 O GLY A 56 9.198 -0.118 2.371 1.00 0.00 O ATOM 0 H GLY A 56 6.682 -1.529 1.801 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.268 0.899 0.211 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.275 0.797 1.652 1.00 0.00 H new ATOM 834 N GLY A 57 8.494 2.031 2.389 1.00 0.00 N ATOM 835 CA GLY A 57 9.598 2.502 3.208 1.00 0.00 C ATOM 836 C GLY A 57 10.935 2.305 2.491 1.00 0.00 C ATOM 837 O GLY A 57 11.996 2.445 3.097 1.00 0.00 O ATOM 0 H GLY A 57 7.827 2.753 2.116 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.458 3.558 3.441 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.607 1.965 4.156 1.00 0.00 H new ATOM 841 N LYS A 58 10.841 1.982 1.209 1.00 0.00 N ATOM 842 CA LYS A 58 12.030 1.763 0.403 1.00 0.00 C ATOM 843 C LYS A 58 12.711 3.106 0.131 1.00 0.00 C ATOM 844 O LYS A 58 12.101 4.013 -0.434 1.00 0.00 O ATOM 845 CB LYS A 58 11.681 0.983 -0.866 1.00 0.00 C ATOM 846 CG LYS A 58 12.915 0.794 -1.750 1.00 0.00 C ATOM 847 CD LYS A 58 13.406 -0.655 -1.704 1.00 0.00 C ATOM 848 CE LYS A 58 12.551 -1.552 -2.602 1.00 0.00 C ATOM 849 NZ LYS A 58 13.369 -2.115 -3.700 1.00 0.00 N ATOM 0 H LYS A 58 9.960 1.867 0.709 1.00 0.00 H new ATOM 0 HA LYS A 58 12.747 1.145 0.943 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.269 0.010 -0.597 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.908 1.514 -1.422 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.676 1.068 -2.778 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.710 1.462 -1.418 1.00 0.00 H new ATOM 0 HD2 LYS A 58 14.447 -0.700 -2.024 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.371 -1.022 -0.678 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.117 -2.360 -2.012 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.722 -0.978 -3.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.774 -2.721 -4.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.762 -1.341 -4.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.146 -2.679 -3.300 1.00 0.00 H new ATOM 863 N MET A 59 13.966 3.192 0.547 1.00 0.00 N ATOM 864 CA MET A 59 14.736 4.409 0.356 1.00 0.00 C ATOM 865 C MET A 59 15.199 4.543 -1.096 1.00 0.00 C ATOM 866 O MET A 59 16.000 3.741 -1.573 1.00 0.00 O ATOM 867 CB MET A 59 15.955 4.393 1.281 1.00 0.00 C ATOM 868 CG MET A 59 16.222 5.783 1.860 1.00 0.00 C ATOM 869 SD MET A 59 15.239 6.032 3.329 1.00 0.00 S ATOM 870 CE MET A 59 14.565 7.648 2.980 1.00 0.00 C ATOM 0 H MET A 59 14.469 2.438 1.016 1.00 0.00 H new ATOM 0 HA MET A 59 14.099 5.261 0.595 1.00 0.00 H new ATOM 0 HB2 MET A 59 15.792 3.683 2.092 1.00 0.00 H new ATOM 0 HB3 MET A 59 16.830 4.051 0.729 1.00 0.00 H new ATOM 0 HG2 MET A 59 17.280 5.889 2.098 1.00 0.00 H new ATOM 0 HG3 MET A 59 15.984 6.546 1.119 1.00 0.00 H new ATOM 0 HE1 MET A 59 14.008 8.005 3.847 1.00 0.00 H new ATOM 0 HE2 MET A 59 15.377 8.341 2.760 1.00 0.00 H new ATOM 0 HE3 MET A 59 13.898 7.586 2.121 1.00 0.00 H new ATOM 880 N THR A 60 14.674 5.563 -1.759 1.00 0.00 N ATOM 881 CA THR A 60 15.023 5.813 -3.147 1.00 0.00 C ATOM 882 C THR A 60 16.311 6.633 -3.234 1.00 0.00 C ATOM 883 O THR A 60 17.052 6.737 -2.258 1.00 0.00 O ATOM 884 CB THR A 60 13.827 6.487 -3.822 1.00 0.00 C ATOM 885 OG1 THR A 60 13.565 7.626 -3.006 1.00 0.00 O ATOM 886 CG2 THR A 60 12.548 5.653 -3.718 1.00 0.00 C ATOM 0 H THR A 60 14.009 6.226 -1.360 1.00 0.00 H new ATOM 0 HA THR A 60 15.231 4.883 -3.676 1.00 0.00 H new ATOM 0 HB THR A 60 14.058 6.668 -4.872 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.804 8.123 -3.372 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.731 6.177 -4.213 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.703 4.687 -4.198 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.298 5.500 -2.668 1.00 0.00 H new ATOM 894 N GLU A 61 16.539 7.194 -4.412 1.00 0.00 N ATOM 895 CA GLU A 61 17.726 8.002 -4.640 1.00 0.00 C ATOM 896 C GLU A 61 17.501 9.429 -4.135 1.00 0.00 C ATOM 897 O GLU A 61 18.458 10.158 -3.878 1.00 0.00 O ATOM 898 CB GLU A 61 18.116 7.999 -6.119 1.00 0.00 C ATOM 899 CG GLU A 61 19.049 9.167 -6.442 1.00 0.00 C ATOM 900 CD GLU A 61 19.949 8.837 -7.635 1.00 0.00 C ATOM 901 OE1 GLU A 61 20.474 7.702 -7.653 1.00 0.00 O ATOM 902 OE2 GLU A 61 20.091 9.726 -8.502 1.00 0.00 O ATOM 0 H GLU A 61 15.922 7.105 -5.219 1.00 0.00 H new ATOM 0 HA GLU A 61 18.553 7.565 -4.080 1.00 0.00 H new ATOM 0 HB2 GLU A 61 18.606 7.058 -6.368 1.00 0.00 H new ATOM 0 HB3 GLU A 61 17.219 8.064 -6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 61 18.460 10.057 -6.662 1.00 0.00 H new ATOM 0 HG3 GLU A 61 19.663 9.398 -5.572 1.00 0.00 H new ATOM 909 N SER A 62 16.231 9.784 -4.007 1.00 0.00 N ATOM 910 CA SER A 62 15.869 11.110 -3.537 1.00 0.00 C ATOM 911 C SER A 62 15.673 11.093 -2.019 1.00 0.00 C ATOM 912 O SER A 62 15.203 12.070 -1.439 1.00 0.00 O ATOM 913 CB SER A 62 14.601 11.613 -4.230 1.00 0.00 C ATOM 914 OG SER A 62 14.708 12.982 -4.612 1.00 0.00 O ATOM 0 H SER A 62 15.440 9.176 -4.221 1.00 0.00 H new ATOM 0 HA SER A 62 16.681 11.793 -3.784 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.405 11.005 -5.113 1.00 0.00 H new ATOM 0 HB3 SER A 62 13.749 11.489 -3.562 1.00 0.00 H new ATOM 0 HG SER A 62 13.879 13.265 -5.052 1.00 0.00 H new ATOM 920 N GLY A 63 16.043 9.971 -1.420 1.00 0.00 N ATOM 921 CA GLY A 63 15.914 9.813 0.019 1.00 0.00 C ATOM 922 C GLY A 63 14.442 9.739 0.432 1.00 0.00 C ATOM 923 O GLY A 63 14.109 9.954 1.596 1.00 0.00 O ATOM 0 H GLY A 63 16.432 9.162 -1.905 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.431 8.907 0.337 1.00 0.00 H new ATOM 0 HA3 GLY A 63 16.396 10.649 0.525 1.00 0.00 H new ATOM 927 N ARG A 64 13.601 9.434 -0.545 1.00 0.00 N ATOM 928 CA ARG A 64 12.173 9.329 -0.297 1.00 0.00 C ATOM 929 C ARG A 64 11.762 7.860 -0.175 1.00 0.00 C ATOM 930 O ARG A 64 12.526 6.966 -0.535 1.00 0.00 O ATOM 931 CB ARG A 64 11.369 9.984 -1.422 1.00 0.00 C ATOM 932 CG ARG A 64 10.796 11.330 -0.974 1.00 0.00 C ATOM 933 CD ARG A 64 9.771 11.852 -1.983 1.00 0.00 C ATOM 934 NE ARG A 64 9.872 13.325 -2.091 1.00 0.00 N ATOM 935 CZ ARG A 64 9.405 14.035 -3.127 1.00 0.00 C ATOM 936 NH1 ARG A 64 8.803 13.413 -4.149 1.00 0.00 N ATOM 937 NH2 ARG A 64 9.541 15.368 -3.140 1.00 0.00 N ATOM 0 H ARG A 64 13.881 9.256 -1.510 1.00 0.00 H new ATOM 0 HA ARG A 64 11.960 9.849 0.637 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.007 10.128 -2.294 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.558 9.323 -1.727 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.327 11.222 0.004 1.00 0.00 H new ATOM 0 HG3 ARG A 64 11.603 12.054 -0.862 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.943 11.395 -2.958 1.00 0.00 H new ATOM 0 HD3 ARG A 64 8.765 11.570 -1.671 1.00 0.00 H new ATOM 0 HE ARG A 64 10.325 13.831 -1.330 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.700 12.398 -4.139 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.448 13.954 -4.937 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.000 15.841 -2.362 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.186 15.909 -3.928 1.00 0.00 H new ATOM 951 N LEU A 65 10.556 7.657 0.335 1.00 0.00 N ATOM 952 CA LEU A 65 10.035 6.312 0.510 1.00 0.00 C ATOM 953 C LEU A 65 8.810 6.124 -0.387 1.00 0.00 C ATOM 954 O LEU A 65 7.968 7.015 -0.488 1.00 0.00 O ATOM 955 CB LEU A 65 9.763 6.031 1.989 1.00 0.00 C ATOM 956 CG LEU A 65 10.958 6.184 2.932 1.00 0.00 C ATOM 957 CD1 LEU A 65 10.515 6.107 4.395 1.00 0.00 C ATOM 958 CD2 LEU A 65 12.047 5.159 2.608 1.00 0.00 C ATOM 0 H LEU A 65 9.925 8.401 0.632 1.00 0.00 H new ATOM 0 HA LEU A 65 10.774 5.574 0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.972 6.701 2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.381 5.014 2.081 1.00 0.00 H new ATOM 0 HG LEU A 65 11.391 7.173 2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.383 6.219 5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.802 6.905 4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.044 5.142 4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.885 5.290 3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.643 4.152 2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.390 5.304 1.584 1.00 0.00 H new ATOM 970 N CYS A 66 8.749 4.959 -1.016 1.00 0.00 N ATOM 971 CA CYS A 66 7.642 4.643 -1.901 1.00 0.00 C ATOM 972 C CYS A 66 7.440 3.127 -1.896 1.00 0.00 C ATOM 973 O CYS A 66 8.354 2.376 -1.558 1.00 0.00 O ATOM 974 CB CYS A 66 7.874 5.183 -3.313 1.00 0.00 C ATOM 975 SG CYS A 66 6.313 5.854 -3.992 1.00 0.00 S ATOM 0 H CYS A 66 9.449 4.222 -0.930 1.00 0.00 H new ATOM 0 HA CYS A 66 6.736 5.130 -1.541 1.00 0.00 H new ATOM 0 HB2 CYS A 66 8.636 5.962 -3.292 1.00 0.00 H new ATOM 0 HB3 CYS A 66 8.249 4.388 -3.958 1.00 0.00 H new ATOM 0 HG CYS A 66 6.580 6.670 -4.968 1.00 0.00 H new ATOM 981 N ALA A 67 6.237 2.720 -2.274 1.00 0.00 N ATOM 982 CA ALA A 67 5.903 1.307 -2.317 1.00 0.00 C ATOM 983 C ALA A 67 6.217 0.755 -3.709 1.00 0.00 C ATOM 984 O ALA A 67 5.860 1.365 -4.717 1.00 0.00 O ATOM 985 CB ALA A 67 4.435 1.116 -1.931 1.00 0.00 C ATOM 0 H ALA A 67 5.481 3.345 -2.554 1.00 0.00 H new ATOM 0 HA ALA A 67 6.503 0.749 -1.598 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.185 0.055 -1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.271 1.497 -0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.801 1.660 -2.631 1.00 0.00 H new ATOM 991 N PHE A 68 6.880 -0.391 -3.721 1.00 0.00 N ATOM 992 CA PHE A 68 7.245 -1.032 -4.974 1.00 0.00 C ATOM 993 C PHE A 68 6.673 -2.449 -5.052 1.00 0.00 C ATOM 994 O PHE A 68 6.573 -3.138 -4.039 1.00 0.00 O ATOM 995 CB PHE A 68 8.773 -1.108 -5.008 1.00 0.00 C ATOM 996 CG PHE A 68 9.463 0.256 -5.074 1.00 0.00 C ATOM 997 CD1 PHE A 68 9.438 0.975 -6.228 1.00 0.00 C ATOM 998 CD2 PHE A 68 10.100 0.749 -3.979 1.00 0.00 C ATOM 999 CE1 PHE A 68 10.078 2.241 -6.290 1.00 0.00 C ATOM 1000 CE2 PHE A 68 10.741 2.015 -4.041 1.00 0.00 C ATOM 1001 CZ PHE A 68 10.716 2.735 -5.195 1.00 0.00 C ATOM 0 H PHE A 68 7.174 -0.893 -2.883 1.00 0.00 H new ATOM 0 HA PHE A 68 6.847 -0.462 -5.814 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.120 -1.637 -4.120 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.078 -1.700 -5.871 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.931 0.583 -7.097 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.119 0.178 -3.062 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.058 2.812 -7.207 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.248 2.406 -3.172 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.202 3.698 -5.242 1.00 0.00 H new ATOM 1011 N ILE A 69 6.314 -2.841 -6.266 1.00 0.00 N ATOM 1012 CA ILE A 69 5.755 -4.164 -6.489 1.00 0.00 C ATOM 1013 C ILE A 69 6.894 -5.172 -6.657 1.00 0.00 C ATOM 1014 O ILE A 69 7.739 -5.018 -7.537 1.00 0.00 O ATOM 1015 CB ILE A 69 4.777 -4.140 -7.666 1.00 0.00 C ATOM 1016 CG1 ILE A 69 3.604 -3.199 -7.384 1.00 0.00 C ATOM 1017 CG2 ILE A 69 4.307 -5.553 -8.017 1.00 0.00 C ATOM 1018 CD1 ILE A 69 2.789 -2.943 -8.654 1.00 0.00 C ATOM 0 H ILE A 69 6.399 -2.266 -7.104 1.00 0.00 H new ATOM 0 HA ILE A 69 5.172 -4.482 -5.625 1.00 0.00 H new ATOM 0 HB ILE A 69 5.301 -3.749 -8.538 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.962 -3.632 -6.617 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.978 -2.254 -6.991 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.613 -5.508 -8.856 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.167 -6.165 -8.290 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.806 -5.994 -7.155 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.961 -2.271 -8.426 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.428 -2.488 -9.411 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.396 -3.887 -9.031 1.00 0.00 H new ATOM 1030 N THR A 70 6.879 -6.181 -5.798 1.00 0.00 N ATOM 1031 CA THR A 70 7.899 -7.214 -5.840 1.00 0.00 C ATOM 1032 C THR A 70 7.454 -8.368 -6.741 1.00 0.00 C ATOM 1033 O THR A 70 8.227 -8.848 -7.568 1.00 0.00 O ATOM 1034 CB THR A 70 8.194 -7.645 -4.402 1.00 0.00 C ATOM 1035 OG1 THR A 70 7.367 -8.789 -4.205 1.00 0.00 O ATOM 1036 CG2 THR A 70 7.685 -6.635 -3.371 1.00 0.00 C ATOM 0 H THR A 70 6.176 -6.305 -5.069 1.00 0.00 H new ATOM 0 HA THR A 70 8.824 -6.839 -6.279 1.00 0.00 H new ATOM 0 HB THR A 70 9.268 -7.780 -4.278 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.860 -9.465 -3.695 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.920 -6.990 -2.367 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.166 -5.671 -3.537 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.605 -6.524 -3.473 1.00 0.00 H new ATOM 1044 N LYS A 71 6.209 -8.779 -6.550 1.00 0.00 N ATOM 1045 CA LYS A 71 5.652 -9.867 -7.335 1.00 0.00 C ATOM 1046 C LYS A 71 4.142 -9.663 -7.481 1.00 0.00 C ATOM 1047 O LYS A 71 3.534 -8.925 -6.708 1.00 0.00 O ATOM 1048 CB LYS A 71 6.034 -11.217 -6.726 1.00 0.00 C ATOM 1049 CG LYS A 71 6.736 -12.104 -7.757 1.00 0.00 C ATOM 1050 CD LYS A 71 6.548 -13.586 -7.424 1.00 0.00 C ATOM 1051 CE LYS A 71 6.754 -14.457 -8.665 1.00 0.00 C ATOM 1052 NZ LYS A 71 8.076 -15.120 -8.619 1.00 0.00 N ATOM 0 H LYS A 71 5.570 -8.378 -5.863 1.00 0.00 H new ATOM 0 HA LYS A 71 6.073 -9.867 -8.340 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.689 -11.061 -5.869 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.140 -11.720 -6.357 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.338 -11.898 -8.751 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.799 -11.866 -7.783 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.254 -13.880 -6.647 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.547 -13.748 -7.023 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.966 -15.208 -8.725 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.679 -13.844 -9.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.200 -15.707 -9.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.825 -14.399 -8.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.134 -15.720 -7.772 1.00 0.00 H new ATOM 1066 N VAL A 72 3.581 -10.331 -8.478 1.00 0.00 N ATOM 1067 CA VAL A 72 2.154 -10.233 -8.735 1.00 0.00 C ATOM 1068 C VAL A 72 1.604 -11.621 -9.069 1.00 0.00 C ATOM 1069 O VAL A 72 1.999 -12.227 -10.064 1.00 0.00 O ATOM 1070 CB VAL A 72 1.891 -9.205 -9.837 1.00 0.00 C ATOM 1071 CG1 VAL A 72 0.389 -8.998 -10.046 1.00 0.00 C ATOM 1072 CG2 VAL A 72 2.590 -7.879 -9.528 1.00 0.00 C ATOM 0 H VAL A 72 4.089 -10.942 -9.118 1.00 0.00 H new ATOM 0 HA VAL A 72 1.629 -9.880 -7.847 1.00 0.00 H new ATOM 0 HB VAL A 72 2.308 -9.595 -10.766 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.229 -8.263 -10.835 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.072 -9.943 -10.332 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.061 -8.641 -9.120 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.387 -7.166 -10.327 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.217 -7.482 -8.584 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.665 -8.043 -9.453 1.00 0.00 H new ATOM 1082 N LYS A 73 0.700 -12.085 -8.218 1.00 0.00 N ATOM 1083 CA LYS A 73 0.092 -13.390 -8.410 1.00 0.00 C ATOM 1084 C LYS A 73 -0.519 -13.462 -9.811 1.00 0.00 C ATOM 1085 O LYS A 73 -1.094 -12.487 -10.292 1.00 0.00 O ATOM 1086 CB LYS A 73 -0.906 -13.687 -7.288 1.00 0.00 C ATOM 1087 CG LYS A 73 -1.430 -15.121 -7.386 1.00 0.00 C ATOM 1088 CD LYS A 73 -0.906 -15.976 -6.230 1.00 0.00 C ATOM 1089 CE LYS A 73 -0.982 -17.465 -6.572 1.00 0.00 C ATOM 1090 NZ LYS A 73 -2.368 -17.961 -6.424 1.00 0.00 N ATOM 0 H LYS A 73 0.374 -11.580 -7.394 1.00 0.00 H new ATOM 0 HA LYS A 73 0.847 -14.174 -8.350 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.427 -13.536 -6.321 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.740 -12.987 -7.343 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.520 -15.115 -7.374 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.124 -15.560 -8.336 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.126 -15.702 -6.009 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.489 -15.775 -5.331 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.639 -17.627 -7.594 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.316 -18.029 -5.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.402 -18.973 -6.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.683 -17.824 -5.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.995 -17.435 -7.065 1.00 0.00 H new ATOM 1104 N LYS A 74 -0.374 -14.626 -10.426 1.00 0.00 N ATOM 1105 CA LYS A 74 -0.905 -14.838 -11.762 1.00 0.00 C ATOM 1106 C LYS A 74 -2.325 -15.398 -11.660 1.00 0.00 C ATOM 1107 O LYS A 74 -2.511 -16.581 -11.380 1.00 0.00 O ATOM 1108 CB LYS A 74 0.044 -15.715 -12.583 1.00 0.00 C ATOM 1109 CG LYS A 74 -0.429 -15.825 -14.034 1.00 0.00 C ATOM 1110 CD LYS A 74 -0.795 -17.269 -14.383 1.00 0.00 C ATOM 1111 CE LYS A 74 0.302 -17.925 -15.224 1.00 0.00 C ATOM 1112 NZ LYS A 74 0.787 -19.161 -14.569 1.00 0.00 N ATOM 0 H LYS A 74 0.104 -15.433 -10.024 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.973 -13.892 -12.299 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.049 -15.294 -12.555 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.102 -16.709 -12.139 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.294 -15.179 -14.188 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.356 -15.473 -14.704 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.947 -17.841 -13.468 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.737 -17.287 -14.930 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.083 -18.159 -16.216 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.130 -17.229 -15.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.531 -19.594 -15.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.173 -18.929 -13.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.002 -19.830 -14.462 1.00 0.00 H new ATOM 1126 N GLY A 75 -3.291 -14.521 -11.891 1.00 0.00 N ATOM 1127 CA GLY A 75 -4.688 -14.912 -11.828 1.00 0.00 C ATOM 1128 C GLY A 75 -5.334 -14.432 -10.527 1.00 0.00 C ATOM 1129 O GLY A 75 -6.058 -15.183 -9.875 1.00 0.00 O ATOM 0 H GLY A 75 -3.133 -13.540 -12.122 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.225 -14.495 -12.680 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.769 -15.997 -11.900 1.00 0.00 H new ATOM 1133 N SER A 76 -5.049 -13.183 -10.188 1.00 0.00 N ATOM 1134 CA SER A 76 -5.594 -12.594 -8.977 1.00 0.00 C ATOM 1135 C SER A 76 -6.061 -11.163 -9.255 1.00 0.00 C ATOM 1136 O SER A 76 -5.830 -10.631 -10.339 1.00 0.00 O ATOM 1137 CB SER A 76 -4.562 -12.605 -7.847 1.00 0.00 C ATOM 1138 OG SER A 76 -4.467 -13.883 -7.223 1.00 0.00 O ATOM 0 H SER A 76 -4.448 -12.563 -10.731 1.00 0.00 H new ATOM 0 HA SER A 76 -6.448 -13.193 -8.660 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.587 -12.322 -8.244 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.832 -11.857 -7.102 1.00 0.00 H new ATOM 0 HG SER A 76 -4.883 -14.559 -7.797 1.00 0.00 H new ATOM 1144 N LEU A 77 -6.709 -10.582 -8.256 1.00 0.00 N ATOM 1145 CA LEU A 77 -7.210 -9.224 -8.379 1.00 0.00 C ATOM 1146 C LEU A 77 -6.150 -8.353 -9.056 1.00 0.00 C ATOM 1147 O LEU A 77 -6.318 -7.943 -10.204 1.00 0.00 O ATOM 1148 CB LEU A 77 -7.663 -8.694 -7.018 1.00 0.00 C ATOM 1149 CG LEU A 77 -9.077 -9.085 -6.583 1.00 0.00 C ATOM 1150 CD1 LEU A 77 -10.117 -8.589 -7.589 1.00 0.00 C ATOM 1151 CD2 LEU A 77 -9.182 -10.593 -6.346 1.00 0.00 C ATOM 0 H LEU A 77 -6.899 -11.027 -7.358 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.095 -9.201 -9.014 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.961 -9.045 -6.262 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.597 -7.606 -7.033 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.289 -8.595 -5.633 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.113 -8.880 -7.256 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.062 -7.503 -7.663 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.918 -9.030 -8.566 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.197 -10.843 -6.038 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.941 -11.124 -7.267 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.482 -10.888 -5.564 1.00 0.00 H new ATOM 1163 N ALA A 78 -5.081 -8.095 -8.317 1.00 0.00 N ATOM 1164 CA ALA A 78 -3.994 -7.281 -8.831 1.00 0.00 C ATOM 1165 C ALA A 78 -3.271 -8.045 -9.942 1.00 0.00 C ATOM 1166 O ALA A 78 -2.092 -8.370 -9.811 1.00 0.00 O ATOM 1167 CB ALA A 78 -3.058 -6.895 -7.684 1.00 0.00 C ATOM 0 H ALA A 78 -4.945 -8.436 -7.365 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.378 -6.357 -9.263 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.242 -6.284 -8.070 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.613 -6.329 -6.936 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.651 -7.797 -7.227 1.00 0.00 H new ATOM 1173 N ASP A 79 -4.008 -8.309 -11.011 1.00 0.00 N ATOM 1174 CA ASP A 79 -3.452 -9.029 -12.144 1.00 0.00 C ATOM 1175 C ASP A 79 -4.558 -9.289 -13.169 1.00 0.00 C ATOM 1176 O ASP A 79 -4.413 -8.950 -14.343 1.00 0.00 O ATOM 1177 CB ASP A 79 -2.880 -10.380 -11.711 1.00 0.00 C ATOM 1178 CG ASP A 79 -1.704 -10.883 -12.550 1.00 0.00 C ATOM 1179 OD1 ASP A 79 -0.702 -10.141 -12.625 1.00 0.00 O ATOM 1180 OD2 ASP A 79 -1.834 -11.999 -13.098 1.00 0.00 O ATOM 0 H ASP A 79 -4.985 -8.037 -11.116 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.655 -8.421 -12.572 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.560 -10.306 -10.672 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.677 -11.123 -11.747 1.00 0.00 H new ATOM 1185 N THR A 80 -5.637 -9.889 -12.689 1.00 0.00 N ATOM 1186 CA THR A 80 -6.766 -10.199 -13.549 1.00 0.00 C ATOM 1187 C THR A 80 -7.575 -8.935 -13.843 1.00 0.00 C ATOM 1188 O THR A 80 -8.217 -8.833 -14.888 1.00 0.00 O ATOM 1189 CB THR A 80 -7.585 -11.302 -12.875 1.00 0.00 C ATOM 1190 OG1 THR A 80 -7.910 -10.761 -11.597 1.00 0.00 O ATOM 1191 CG2 THR A 80 -6.747 -12.540 -12.553 1.00 0.00 C ATOM 0 H THR A 80 -5.753 -10.169 -11.715 1.00 0.00 H new ATOM 0 HA THR A 80 -6.434 -10.568 -14.520 1.00 0.00 H new ATOM 0 HB THR A 80 -8.415 -11.584 -13.522 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.119 -10.326 -11.215 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.376 -13.291 -12.076 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.330 -12.947 -13.474 1.00 0.00 H new ATOM 0 HG23 THR A 80 -5.936 -12.265 -11.879 1.00 0.00 H new ATOM 1199 N VAL A 81 -7.518 -8.002 -12.904 1.00 0.00 N ATOM 1200 CA VAL A 81 -8.238 -6.748 -13.049 1.00 0.00 C ATOM 1201 C VAL A 81 -7.239 -5.589 -13.050 1.00 0.00 C ATOM 1202 O VAL A 81 -7.383 -4.641 -13.820 1.00 0.00 O ATOM 1203 CB VAL A 81 -9.298 -6.623 -11.954 1.00 0.00 C ATOM 1204 CG1 VAL A 81 -10.495 -7.532 -12.243 1.00 0.00 C ATOM 1205 CG2 VAL A 81 -8.702 -6.923 -10.577 1.00 0.00 C ATOM 0 H VAL A 81 -6.984 -8.089 -12.039 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.769 -6.720 -14.000 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.653 -5.593 -11.948 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.234 -7.424 -11.449 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.943 -7.252 -13.196 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.162 -8.569 -12.290 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.477 -6.827 -9.816 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.306 -7.938 -10.565 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.898 -6.218 -10.367 1.00 0.00 H new ATOM 1215 N GLY A 82 -6.248 -5.704 -12.178 1.00 0.00 N ATOM 1216 CA GLY A 82 -5.226 -4.677 -12.068 1.00 0.00 C ATOM 1217 C GLY A 82 -4.170 -4.835 -13.164 1.00 0.00 C ATOM 1218 O GLY A 82 -3.772 -3.857 -13.793 1.00 0.00 O ATOM 0 H GLY A 82 -6.131 -6.492 -11.541 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.686 -3.692 -12.141 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.751 -4.735 -11.089 1.00 0.00 H new ATOM 1222 N HIS A 83 -3.745 -6.076 -13.357 1.00 0.00 N ATOM 1223 CA HIS A 83 -2.743 -6.375 -14.366 1.00 0.00 C ATOM 1224 C HIS A 83 -1.393 -5.801 -13.934 1.00 0.00 C ATOM 1225 O HIS A 83 -0.442 -5.786 -14.714 1.00 0.00 O ATOM 1226 CB HIS A 83 -3.189 -5.871 -15.741 1.00 0.00 C ATOM 1227 CG HIS A 83 -4.562 -6.346 -16.153 1.00 0.00 C ATOM 1228 ND1 HIS A 83 -4.781 -7.569 -16.761 1.00 0.00 N ATOM 1229 CD2 HIS A 83 -5.783 -5.749 -16.037 1.00 0.00 C ATOM 1230 CE1 HIS A 83 -6.079 -7.693 -16.997 1.00 0.00 C ATOM 1231 NE2 HIS A 83 -6.698 -6.563 -16.549 1.00 0.00 N ATOM 0 H HIS A 83 -4.076 -6.885 -12.832 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.627 -7.455 -14.459 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -3.178 -4.781 -15.738 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.464 -6.195 -16.488 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -5.973 -4.779 -15.602 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -6.562 -8.540 -17.462 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -7.699 -6.375 -16.599 1.00 0.00 H new ATOM 1239 N LEU A 84 -1.351 -5.342 -12.691 1.00 0.00 N ATOM 1240 CA LEU A 84 -0.133 -4.768 -12.146 1.00 0.00 C ATOM 1241 C LEU A 84 1.049 -5.682 -12.478 1.00 0.00 C ATOM 1242 O LEU A 84 0.860 -6.794 -12.967 1.00 0.00 O ATOM 1243 CB LEU A 84 -0.294 -4.491 -10.650 1.00 0.00 C ATOM 1244 CG LEU A 84 -1.378 -3.481 -10.268 1.00 0.00 C ATOM 1245 CD1 LEU A 84 -1.955 -3.792 -8.886 1.00 0.00 C ATOM 1246 CD2 LEU A 84 -0.848 -2.048 -10.358 1.00 0.00 C ATOM 0 H LEU A 84 -2.141 -5.356 -12.046 1.00 0.00 H new ATOM 0 HA LEU A 84 0.071 -3.801 -12.606 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.510 -5.434 -10.147 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.660 -4.134 -10.262 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.194 -3.569 -10.985 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.723 -3.059 -8.639 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.394 -4.790 -8.891 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.160 -3.749 -8.142 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.638 -1.350 -10.082 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.004 -1.929 -9.678 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.524 -1.843 -11.378 1.00 0.00 H new ATOM 1258 N ARG A 85 2.242 -5.177 -12.199 1.00 0.00 N ATOM 1259 CA ARG A 85 3.454 -5.933 -12.462 1.00 0.00 C ATOM 1260 C ARG A 85 4.541 -5.562 -11.452 1.00 0.00 C ATOM 1261 O ARG A 85 4.540 -4.458 -10.910 1.00 0.00 O ATOM 1262 CB ARG A 85 3.972 -5.669 -13.878 1.00 0.00 C ATOM 1263 CG ARG A 85 3.410 -6.692 -14.867 1.00 0.00 C ATOM 1264 CD ARG A 85 3.059 -6.029 -16.201 1.00 0.00 C ATOM 1265 NE ARG A 85 3.409 -6.931 -17.321 1.00 0.00 N ATOM 1266 CZ ARG A 85 3.411 -6.562 -18.610 1.00 0.00 C ATOM 1267 NH1 ARG A 85 3.081 -5.308 -18.948 1.00 0.00 N ATOM 1268 NH2 ARG A 85 3.742 -7.447 -19.559 1.00 0.00 N ATOM 0 H ARG A 85 2.395 -4.254 -11.794 1.00 0.00 H new ATOM 0 HA ARG A 85 3.211 -6.991 -12.367 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.691 -4.663 -14.190 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.061 -5.712 -13.885 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.141 -7.484 -15.031 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.521 -7.161 -14.445 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.995 -5.794 -16.231 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.597 -5.086 -16.301 1.00 0.00 H new ATOM 0 HE ARG A 85 3.665 -7.893 -17.098 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.828 -4.635 -18.225 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.082 -5.027 -19.929 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.992 -8.402 -19.301 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.744 -7.167 -20.540 1.00 0.00 H new ATOM 1282 N PRO A 86 5.468 -6.531 -11.222 1.00 0.00 N ATOM 1283 CA PRO A 86 6.558 -6.318 -10.286 1.00 0.00 C ATOM 1284 C PRO A 86 7.622 -5.394 -10.885 1.00 0.00 C ATOM 1285 O PRO A 86 8.366 -5.796 -11.778 1.00 0.00 O ATOM 1286 CB PRO A 86 7.087 -7.708 -9.973 1.00 0.00 C ATOM 1287 CG PRO A 86 6.585 -8.606 -11.092 1.00 0.00 C ATOM 1288 CD PRO A 86 5.501 -7.851 -11.845 1.00 0.00 C ATOM 0 HA PRO A 86 6.237 -5.815 -9.374 1.00 0.00 H new ATOM 0 HB2 PRO A 86 8.176 -7.711 -9.929 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.728 -8.054 -9.004 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.401 -8.872 -11.763 1.00 0.00 H new ATOM 0 HG3 PRO A 86 6.190 -9.537 -10.686 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.732 -7.782 -12.908 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.537 -8.353 -11.761 1.00 0.00 H new ATOM 1296 N GLY A 87 7.659 -4.175 -10.368 1.00 0.00 N ATOM 1297 CA GLY A 87 8.619 -3.192 -10.840 1.00 0.00 C ATOM 1298 C GLY A 87 8.048 -1.776 -10.740 1.00 0.00 C ATOM 1299 O GLY A 87 8.796 -0.809 -10.605 1.00 0.00 O ATOM 0 H GLY A 87 7.040 -3.846 -9.627 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.534 -3.261 -10.252 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.887 -3.408 -11.874 1.00 0.00 H new ATOM 1303 N ASP A 88 6.727 -1.699 -10.809 1.00 0.00 N ATOM 1304 CA ASP A 88 6.047 -0.417 -10.728 1.00 0.00 C ATOM 1305 C ASP A 88 6.217 0.157 -9.320 1.00 0.00 C ATOM 1306 O ASP A 88 6.872 -0.449 -8.473 1.00 0.00 O ATOM 1307 CB ASP A 88 4.549 -0.571 -10.998 1.00 0.00 C ATOM 1308 CG ASP A 88 4.058 0.063 -12.301 1.00 0.00 C ATOM 1309 OD1 ASP A 88 4.917 0.617 -13.021 1.00 0.00 O ATOM 1310 OD2 ASP A 88 2.836 -0.020 -12.548 1.00 0.00 O ATOM 0 H ASP A 88 6.110 -2.503 -10.920 1.00 0.00 H new ATOM 0 HA ASP A 88 6.483 0.244 -11.477 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.305 -1.633 -11.014 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.998 -0.130 -10.167 1.00 0.00 H new ATOM 1315 N GLU A 89 5.616 1.320 -9.113 1.00 0.00 N ATOM 1316 CA GLU A 89 5.693 1.983 -7.823 1.00 0.00 C ATOM 1317 C GLU A 89 4.315 2.505 -7.411 1.00 0.00 C ATOM 1318 O GLU A 89 3.802 3.450 -8.008 1.00 0.00 O ATOM 1319 CB GLU A 89 6.723 3.114 -7.848 1.00 0.00 C ATOM 1320 CG GLU A 89 6.908 3.718 -6.454 1.00 0.00 C ATOM 1321 CD GLU A 89 7.899 4.883 -6.489 1.00 0.00 C ATOM 1322 OE1 GLU A 89 7.482 5.970 -6.944 1.00 0.00 O ATOM 1323 OE2 GLU A 89 9.052 4.661 -6.059 1.00 0.00 O ATOM 0 H GLU A 89 5.074 1.820 -9.818 1.00 0.00 H new ATOM 0 HA GLU A 89 6.020 1.254 -7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.677 2.734 -8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.401 3.889 -8.544 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.947 4.064 -6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.266 2.952 -5.766 1.00 0.00 H new ATOM 1330 N VAL A 90 3.755 1.866 -6.394 1.00 0.00 N ATOM 1331 CA VAL A 90 2.446 2.255 -5.896 1.00 0.00 C ATOM 1332 C VAL A 90 2.577 3.543 -5.083 1.00 0.00 C ATOM 1333 O VAL A 90 3.347 3.602 -4.125 1.00 0.00 O ATOM 1334 CB VAL A 90 1.827 1.104 -5.100 1.00 0.00 C ATOM 1335 CG1 VAL A 90 0.372 1.409 -4.739 1.00 0.00 C ATOM 1336 CG2 VAL A 90 1.938 -0.215 -5.866 1.00 0.00 C ATOM 0 H VAL A 90 4.183 1.082 -5.902 1.00 0.00 H new ATOM 0 HA VAL A 90 1.767 2.462 -6.724 1.00 0.00 H new ATOM 0 HB VAL A 90 2.388 0.999 -4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.045 0.576 -4.174 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.329 2.315 -4.134 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.207 1.554 -5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.490 -1.016 -5.278 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.415 -0.128 -6.818 1.00 0.00 H new ATOM 0 HG23 VAL A 90 2.988 -0.442 -6.049 1.00 0.00 H new ATOM 1346 N LEU A 91 1.813 4.545 -5.493 1.00 0.00 N ATOM 1347 CA LEU A 91 1.834 5.829 -4.814 1.00 0.00 C ATOM 1348 C LEU A 91 0.702 5.876 -3.785 1.00 0.00 C ATOM 1349 O LEU A 91 0.950 6.042 -2.592 1.00 0.00 O ATOM 1350 CB LEU A 91 1.789 6.973 -5.830 1.00 0.00 C ATOM 1351 CG LEU A 91 2.779 6.877 -6.992 1.00 0.00 C ATOM 1352 CD1 LEU A 91 2.351 7.778 -8.152 1.00 0.00 C ATOM 1353 CD2 LEU A 91 4.204 7.182 -6.525 1.00 0.00 C ATOM 0 H LEU A 91 1.175 4.493 -6.287 1.00 0.00 H new ATOM 0 HA LEU A 91 2.768 5.955 -4.267 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.781 7.028 -6.241 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.969 7.909 -5.302 1.00 0.00 H new ATOM 0 HG LEU A 91 2.774 5.852 -7.362 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.072 7.691 -8.965 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.366 7.473 -8.506 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.310 8.813 -7.813 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.888 7.107 -7.370 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.244 8.191 -6.114 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.496 6.466 -5.757 1.00 0.00 H new ATOM 1365 N GLU A 92 -0.515 5.726 -4.285 1.00 0.00 N ATOM 1366 CA GLU A 92 -1.686 5.749 -3.424 1.00 0.00 C ATOM 1367 C GLU A 92 -2.358 4.375 -3.406 1.00 0.00 C ATOM 1368 O GLU A 92 -2.313 3.644 -4.394 1.00 0.00 O ATOM 1369 CB GLU A 92 -2.670 6.835 -3.865 1.00 0.00 C ATOM 1370 CG GLU A 92 -2.134 8.228 -3.531 1.00 0.00 C ATOM 1371 CD GLU A 92 -2.842 9.301 -4.361 1.00 0.00 C ATOM 1372 OE1 GLU A 92 -4.059 9.130 -4.589 1.00 0.00 O ATOM 1373 OE2 GLU A 92 -2.151 10.268 -4.748 1.00 0.00 O ATOM 0 H GLU A 92 -0.716 5.588 -5.275 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.363 5.988 -2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.847 6.757 -4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.630 6.683 -3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.276 8.431 -2.470 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.061 8.264 -3.722 1.00 0.00 H new ATOM 1380 N TRP A 93 -2.966 4.064 -2.270 1.00 0.00 N ATOM 1381 CA TRP A 93 -3.646 2.790 -2.110 1.00 0.00 C ATOM 1382 C TRP A 93 -4.988 3.054 -1.424 1.00 0.00 C ATOM 1383 O TRP A 93 -5.063 3.105 -0.197 1.00 0.00 O ATOM 1384 CB TRP A 93 -2.771 1.793 -1.348 1.00 0.00 C ATOM 1385 CG TRP A 93 -3.465 0.465 -1.040 1.00 0.00 C ATOM 1386 CD1 TRP A 93 -4.473 0.239 -0.187 1.00 0.00 C ATOM 1387 CD2 TRP A 93 -3.158 -0.820 -1.621 1.00 0.00 C ATOM 1388 NE1 TRP A 93 -4.838 -1.092 -0.176 1.00 0.00 N ATOM 1389 CE2 TRP A 93 -4.013 -1.757 -1.076 1.00 0.00 C ATOM 1390 CE3 TRP A 93 -2.191 -1.180 -2.576 1.00 0.00 C ATOM 1391 CZ2 TRP A 93 -3.986 -3.113 -1.422 1.00 0.00 C ATOM 1392 CZ3 TRP A 93 -2.177 -2.539 -2.912 1.00 0.00 C ATOM 1393 CH2 TRP A 93 -3.030 -3.494 -2.372 1.00 0.00 C ATOM 0 H TRP A 93 -3.002 4.672 -1.452 1.00 0.00 H new ATOM 0 HA TRP A 93 -3.835 2.329 -3.079 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -1.872 1.595 -1.931 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -2.449 2.249 -0.412 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -4.941 1.003 0.416 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -5.577 -1.511 0.389 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -1.512 -0.464 -3.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -4.666 -3.827 -0.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -1.452 -2.868 -3.642 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -2.956 -4.525 -2.684 1.00 0.00 H new ATOM 1404 N ASN A 94 -6.015 3.214 -2.245 1.00 0.00 N ATOM 1405 CA ASN A 94 -7.350 3.472 -1.733 1.00 0.00 C ATOM 1406 C ASN A 94 -7.430 4.915 -1.232 1.00 0.00 C ATOM 1407 O ASN A 94 -8.338 5.265 -0.479 1.00 0.00 O ATOM 1408 CB ASN A 94 -7.678 2.545 -0.561 1.00 0.00 C ATOM 1409 CG ASN A 94 -8.989 1.795 -0.805 1.00 0.00 C ATOM 1410 OD1 ASN A 94 -9.735 2.080 -1.727 1.00 0.00 O ATOM 1411 ND2 ASN A 94 -9.226 0.822 0.071 1.00 0.00 N ATOM 0 H ASN A 94 -5.950 3.170 -3.262 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.061 3.298 -2.541 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -6.867 1.830 -0.420 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -7.753 3.127 0.358 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -10.075 0.262 -0.006 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -8.559 0.636 0.820 1.00 0.00 H new ATOM 1418 N GLY A 95 -6.468 5.714 -1.670 1.00 0.00 N ATOM 1419 CA GLY A 95 -6.418 7.111 -1.275 1.00 0.00 C ATOM 1420 C GLY A 95 -5.297 7.355 -0.263 1.00 0.00 C ATOM 1421 O GLY A 95 -4.967 8.501 0.039 1.00 0.00 O ATOM 0 H GLY A 95 -5.717 5.420 -2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.261 7.736 -2.154 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.374 7.405 -0.842 1.00 0.00 H new ATOM 1425 N ARG A 96 -4.741 6.259 0.233 1.00 0.00 N ATOM 1426 CA ARG A 96 -3.664 6.340 1.204 1.00 0.00 C ATOM 1427 C ARG A 96 -2.320 6.518 0.494 1.00 0.00 C ATOM 1428 O ARG A 96 -1.863 5.620 -0.212 1.00 0.00 O ATOM 1429 CB ARG A 96 -3.610 5.082 2.073 1.00 0.00 C ATOM 1430 CG ARG A 96 -4.535 5.213 3.285 1.00 0.00 C ATOM 1431 CD ARG A 96 -3.790 5.804 4.483 1.00 0.00 C ATOM 1432 NE ARG A 96 -4.724 6.003 5.613 1.00 0.00 N ATOM 1433 CZ ARG A 96 -4.763 7.107 6.370 1.00 0.00 C ATOM 1434 NH1 ARG A 96 -3.920 8.119 6.123 1.00 0.00 N ATOM 1435 NH2 ARG A 96 -5.645 7.200 7.375 1.00 0.00 N ATOM 0 H ARG A 96 -5.017 5.310 -0.020 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.859 7.202 1.843 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.901 4.214 1.481 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -2.587 4.911 2.408 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.384 5.847 3.032 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -4.936 4.234 3.548 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.981 5.138 4.783 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -3.335 6.755 4.205 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.380 5.252 5.829 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.249 8.048 5.358 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -3.950 8.960 6.700 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.287 6.430 7.563 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.675 8.041 7.951 1.00 0.00 H new ATOM 1449 N LEU A 97 -1.726 7.683 0.704 1.00 0.00 N ATOM 1450 CA LEU A 97 -0.444 7.990 0.093 1.00 0.00 C ATOM 1451 C LEU A 97 0.631 7.076 0.684 1.00 0.00 C ATOM 1452 O LEU A 97 0.712 6.914 1.901 1.00 0.00 O ATOM 1453 CB LEU A 97 -0.128 9.481 0.232 1.00 0.00 C ATOM 1454 CG LEU A 97 1.200 9.944 -0.372 1.00 0.00 C ATOM 1455 CD1 LEU A 97 0.981 10.608 -1.733 1.00 0.00 C ATOM 1456 CD2 LEU A 97 1.954 10.857 0.597 1.00 0.00 C ATOM 0 H LEU A 97 -2.109 8.426 1.289 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.476 7.792 -0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.934 10.048 -0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.131 9.736 1.292 1.00 0.00 H new ATOM 0 HG LEU A 97 1.824 9.066 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.940 10.928 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.517 9.896 -2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.330 11.474 -1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.894 11.172 0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.346 11.734 0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.160 10.316 1.521 1.00 0.00 H new ATOM 1468 N LEU A 98 1.429 6.502 -0.204 1.00 0.00 N ATOM 1469 CA LEU A 98 2.495 5.609 0.214 1.00 0.00 C ATOM 1470 C LEU A 98 3.826 6.362 0.189 1.00 0.00 C ATOM 1471 O LEU A 98 4.785 5.960 0.846 1.00 0.00 O ATOM 1472 CB LEU A 98 2.493 4.336 -0.635 1.00 0.00 C ATOM 1473 CG LEU A 98 1.151 3.609 -0.750 1.00 0.00 C ATOM 1474 CD1 LEU A 98 1.304 2.295 -1.518 1.00 0.00 C ATOM 1475 CD2 LEU A 98 0.523 3.397 0.629 1.00 0.00 C ATOM 0 H LEU A 98 1.358 6.638 -1.212 1.00 0.00 H new ATOM 0 HA LEU A 98 2.334 5.280 1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.832 4.592 -1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.224 3.644 -0.218 1.00 0.00 H new ATOM 0 HG LEU A 98 0.469 4.238 -1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.336 1.798 -1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.677 2.501 -2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.008 1.648 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.429 2.879 0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.193 2.798 1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.357 4.363 1.106 1.00 0.00 H new ATOM 1487 N GLN A 99 3.843 7.443 -0.577 1.00 0.00 N ATOM 1488 CA GLN A 99 5.041 8.257 -0.697 1.00 0.00 C ATOM 1489 C GLN A 99 5.451 8.802 0.672 1.00 0.00 C ATOM 1490 O GLN A 99 4.709 9.565 1.288 1.00 0.00 O ATOM 1491 CB GLN A 99 4.833 9.393 -1.700 1.00 0.00 C ATOM 1492 CG GLN A 99 5.432 9.038 -3.063 1.00 0.00 C ATOM 1493 CD GLN A 99 5.838 10.299 -3.829 1.00 0.00 C ATOM 1494 OE1 GLN A 99 5.754 11.411 -3.334 1.00 0.00 O ATOM 1495 NE2 GLN A 99 6.283 10.064 -5.060 1.00 0.00 N ATOM 0 H GLN A 99 3.046 7.774 -1.121 1.00 0.00 H new ATOM 0 HA GLN A 99 5.848 7.628 -1.073 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.768 9.596 -1.809 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.295 10.305 -1.322 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.302 8.396 -2.926 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.706 8.471 -3.647 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.327 9.108 -5.412 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.580 10.840 -5.652 1.00 0.00 H new ATOM 1504 N GLY A 100 6.633 8.390 1.108 1.00 0.00 N ATOM 1505 CA GLY A 100 7.151 8.828 2.393 1.00 0.00 C ATOM 1506 C GLY A 100 6.840 7.804 3.487 1.00 0.00 C ATOM 1507 O GLY A 100 7.622 7.631 4.420 1.00 0.00 O ATOM 0 H GLY A 100 7.246 7.758 0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.229 8.975 2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.714 9.791 2.656 1.00 0.00 H new ATOM 1511 N ALA A 101 5.697 7.152 3.335 1.00 0.00 N ATOM 1512 CA ALA A 101 5.274 6.149 4.298 1.00 0.00 C ATOM 1513 C ALA A 101 6.292 5.008 4.321 1.00 0.00 C ATOM 1514 O ALA A 101 6.854 4.651 3.286 1.00 0.00 O ATOM 1515 CB ALA A 101 3.865 5.667 3.947 1.00 0.00 C ATOM 0 H ALA A 101 5.051 7.298 2.560 1.00 0.00 H new ATOM 0 HA ALA A 101 5.233 6.573 5.301 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.547 4.915 4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.175 6.510 3.974 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.868 5.232 2.947 1.00 0.00 H new ATOM 1521 N THR A 102 6.499 4.466 5.512 1.00 0.00 N ATOM 1522 CA THR A 102 7.440 3.372 5.683 1.00 0.00 C ATOM 1523 C THR A 102 6.836 2.064 5.171 1.00 0.00 C ATOM 1524 O THR A 102 5.674 2.028 4.769 1.00 0.00 O ATOM 1525 CB THR A 102 7.841 3.320 7.159 1.00 0.00 C ATOM 1526 OG1 THR A 102 6.754 2.650 7.791 1.00 0.00 O ATOM 1527 CG2 THR A 102 7.855 4.704 7.812 1.00 0.00 C ATOM 0 H THR A 102 6.031 4.764 6.368 1.00 0.00 H new ATOM 0 HA THR A 102 8.342 3.530 5.092 1.00 0.00 H new ATOM 0 HB THR A 102 8.827 2.865 7.250 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.932 2.572 8.752 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.146 4.610 8.858 1.00 0.00 H new ATOM 0 HG22 THR A 102 8.569 5.344 7.293 1.00 0.00 H new ATOM 0 HG23 THR A 102 6.860 5.145 7.750 1.00 0.00 H new ATOM 1535 N PHE A 103 7.651 1.020 5.203 1.00 0.00 N ATOM 1536 CA PHE A 103 7.211 -0.288 4.747 1.00 0.00 C ATOM 1537 C PHE A 103 5.995 -0.765 5.543 1.00 0.00 C ATOM 1538 O PHE A 103 5.006 -1.213 4.963 1.00 0.00 O ATOM 1539 CB PHE A 103 8.371 -1.257 4.981 1.00 0.00 C ATOM 1540 CG PHE A 103 8.061 -2.704 4.595 1.00 0.00 C ATOM 1541 CD1 PHE A 103 8.159 -3.097 3.296 1.00 0.00 C ATOM 1542 CD2 PHE A 103 7.687 -3.598 5.549 1.00 0.00 C ATOM 1543 CE1 PHE A 103 7.871 -4.441 2.937 1.00 0.00 C ATOM 1544 CE2 PHE A 103 7.399 -4.941 5.190 1.00 0.00 C ATOM 1545 CZ PHE A 103 7.497 -5.334 3.892 1.00 0.00 C ATOM 0 H PHE A 103 8.614 1.053 5.538 1.00 0.00 H new ATOM 0 HA PHE A 103 6.927 -0.240 3.696 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.235 -0.917 4.411 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.651 -1.225 6.034 1.00 0.00 H new ATOM 0 HD1 PHE A 103 8.456 -2.387 2.538 1.00 0.00 H new ATOM 0 HD2 PHE A 103 7.609 -3.286 6.580 1.00 0.00 H new ATOM 0 HE1 PHE A 103 7.949 -4.753 1.906 1.00 0.00 H new ATOM 0 HE2 PHE A 103 7.102 -5.651 5.948 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.278 -6.356 3.619 1.00 0.00 H new ATOM 1555 N GLU A 104 6.107 -0.654 6.858 1.00 0.00 N ATOM 1556 CA GLU A 104 5.029 -1.069 7.739 1.00 0.00 C ATOM 1557 C GLU A 104 3.776 -0.230 7.477 1.00 0.00 C ATOM 1558 O GLU A 104 2.667 -0.759 7.442 1.00 0.00 O ATOM 1559 CB GLU A 104 5.453 -0.976 9.206 1.00 0.00 C ATOM 1560 CG GLU A 104 6.561 -1.984 9.521 1.00 0.00 C ATOM 1561 CD GLU A 104 6.075 -3.039 10.517 1.00 0.00 C ATOM 1562 OE1 GLU A 104 5.204 -2.684 11.340 1.00 0.00 O ATOM 1563 OE2 GLU A 104 6.587 -4.176 10.433 1.00 0.00 O ATOM 0 H GLU A 104 6.928 -0.282 7.335 1.00 0.00 H new ATOM 0 HA GLU A 104 4.795 -2.112 7.528 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.802 0.033 9.424 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.593 -1.162 9.849 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.888 -2.470 8.602 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.426 -1.463 9.931 1.00 0.00 H new ATOM 1570 N GLU A 105 3.997 1.064 7.299 1.00 0.00 N ATOM 1571 CA GLU A 105 2.899 1.981 7.041 1.00 0.00 C ATOM 1572 C GLU A 105 2.167 1.585 5.757 1.00 0.00 C ATOM 1573 O GLU A 105 0.955 1.374 5.769 1.00 0.00 O ATOM 1574 CB GLU A 105 3.399 3.425 6.963 1.00 0.00 C ATOM 1575 CG GLU A 105 3.571 4.022 8.361 1.00 0.00 C ATOM 1576 CD GLU A 105 3.595 5.551 8.306 1.00 0.00 C ATOM 1577 OE1 GLU A 105 2.696 6.109 7.642 1.00 0.00 O ATOM 1578 OE2 GLU A 105 4.513 6.126 8.930 1.00 0.00 O ATOM 0 H GLU A 105 4.919 1.499 7.328 1.00 0.00 H new ATOM 0 HA GLU A 105 2.196 1.918 7.871 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.350 3.456 6.431 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.694 4.027 6.391 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.756 3.691 9.004 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.497 3.656 8.805 1.00 0.00 H new ATOM 1585 N VAL A 106 2.934 1.495 4.680 1.00 0.00 N ATOM 1586 CA VAL A 106 2.373 1.127 3.391 1.00 0.00 C ATOM 1587 C VAL A 106 1.597 -0.184 3.532 1.00 0.00 C ATOM 1588 O VAL A 106 0.523 -0.340 2.954 1.00 0.00 O ATOM 1589 CB VAL A 106 3.482 1.056 2.339 1.00 0.00 C ATOM 1590 CG1 VAL A 106 2.997 0.334 1.080 1.00 0.00 C ATOM 1591 CG2 VAL A 106 4.009 2.452 2.002 1.00 0.00 C ATOM 0 H VAL A 106 3.939 1.671 4.674 1.00 0.00 H new ATOM 0 HA VAL A 106 1.668 1.886 3.050 1.00 0.00 H new ATOM 0 HB VAL A 106 4.306 0.480 2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.804 0.297 0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.693 -0.681 1.337 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.148 0.871 0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.796 2.373 1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.196 3.063 1.611 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.411 2.916 2.902 1.00 0.00 H new ATOM 1601 N TYR A 107 2.172 -1.094 4.305 1.00 0.00 N ATOM 1602 CA TYR A 107 1.549 -2.387 4.529 1.00 0.00 C ATOM 1603 C TYR A 107 0.250 -2.239 5.326 1.00 0.00 C ATOM 1604 O TYR A 107 -0.803 -2.706 4.895 1.00 0.00 O ATOM 1605 CB TYR A 107 2.548 -3.200 5.354 1.00 0.00 C ATOM 1606 CG TYR A 107 2.260 -4.703 5.377 1.00 0.00 C ATOM 1607 CD1 TYR A 107 1.108 -5.176 5.971 1.00 0.00 C ATOM 1608 CD2 TYR A 107 3.153 -5.585 4.802 1.00 0.00 C ATOM 1609 CE1 TYR A 107 0.837 -6.590 5.992 1.00 0.00 C ATOM 1610 CE2 TYR A 107 2.882 -6.999 4.823 1.00 0.00 C ATOM 1611 CZ TYR A 107 1.738 -7.432 5.417 1.00 0.00 C ATOM 1612 OH TYR A 107 1.482 -8.767 5.437 1.00 0.00 O ATOM 0 H TYR A 107 3.063 -0.961 4.784 1.00 0.00 H new ATOM 0 HA TYR A 107 1.304 -2.864 3.580 1.00 0.00 H new ATOM 0 HB2 TYR A 107 3.549 -3.039 4.955 1.00 0.00 H new ATOM 0 HB3 TYR A 107 2.548 -2.825 6.377 1.00 0.00 H new ATOM 0 HD1 TYR A 107 0.409 -4.486 6.420 1.00 0.00 H new ATOM 0 HD2 TYR A 107 4.054 -5.215 4.337 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -0.061 -6.974 6.454 1.00 0.00 H new ATOM 0 HE2 TYR A 107 3.572 -7.700 4.377 1.00 0.00 H new ATOM 0 HH TYR A 107 2.210 -9.246 4.989 1.00 0.00 H new ATOM 1622 N ASN A 108 0.368 -1.586 6.473 1.00 0.00 N ATOM 1623 CA ASN A 108 -0.783 -1.370 7.333 1.00 0.00 C ATOM 1624 C ASN A 108 -1.987 -0.975 6.476 1.00 0.00 C ATOM 1625 O ASN A 108 -3.102 -1.438 6.715 1.00 0.00 O ATOM 1626 CB ASN A 108 -0.521 -0.240 8.330 1.00 0.00 C ATOM 1627 CG ASN A 108 -0.091 -0.797 9.689 1.00 0.00 C ATOM 1628 OD1 ASN A 108 -0.900 -1.068 10.561 1.00 0.00 O ATOM 1629 ND2 ASN A 108 1.223 -0.951 9.819 1.00 0.00 N ATOM 0 H ASN A 108 1.243 -1.199 6.827 1.00 0.00 H new ATOM 0 HA ASN A 108 -0.975 -2.294 7.878 1.00 0.00 H new ATOM 0 HB2 ASN A 108 0.255 0.420 7.942 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -1.422 0.362 8.448 1.00 0.00 H new ATOM 0 HD21 ASN A 108 1.610 -1.316 10.689 1.00 0.00 H new ATOM 0 HD22 ASN A 108 1.844 -0.704 9.048 1.00 0.00 H new ATOM 1636 N ILE A 109 -1.722 -0.124 5.496 1.00 0.00 N ATOM 1637 CA ILE A 109 -2.770 0.339 4.602 1.00 0.00 C ATOM 1638 C ILE A 109 -3.465 -0.869 3.970 1.00 0.00 C ATOM 1639 O ILE A 109 -4.635 -1.131 4.245 1.00 0.00 O ATOM 1640 CB ILE A 109 -2.206 1.328 3.581 1.00 0.00 C ATOM 1641 CG1 ILE A 109 -1.995 2.706 4.211 1.00 0.00 C ATOM 1642 CG2 ILE A 109 -3.092 1.396 2.336 1.00 0.00 C ATOM 1643 CD1 ILE A 109 -0.678 3.328 3.742 1.00 0.00 C ATOM 0 H ILE A 109 -0.796 0.257 5.301 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.529 0.890 5.158 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.228 0.968 3.261 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -2.825 3.361 3.947 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -1.992 2.617 5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.668 2.106 1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.147 0.410 1.874 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -4.093 1.720 2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -0.553 4.307 4.205 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.152 2.682 4.029 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.694 3.439 2.658 1.00 0.00 H new ATOM 1655 N ILE A 110 -2.715 -1.572 3.134 1.00 0.00 N ATOM 1656 CA ILE A 110 -3.244 -2.745 2.460 1.00 0.00 C ATOM 1657 C ILE A 110 -3.991 -3.616 3.473 1.00 0.00 C ATOM 1658 O ILE A 110 -4.917 -4.340 3.111 1.00 0.00 O ATOM 1659 CB ILE A 110 -2.130 -3.484 1.717 1.00 0.00 C ATOM 1660 CG1 ILE A 110 -1.574 -2.632 0.574 1.00 0.00 C ATOM 1661 CG2 ILE A 110 -2.610 -4.853 1.230 1.00 0.00 C ATOM 1662 CD1 ILE A 110 -0.047 -2.565 0.633 1.00 0.00 C ATOM 0 H ILE A 110 -1.745 -1.352 2.908 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.965 -2.453 1.697 1.00 0.00 H new ATOM 0 HB ILE A 110 -1.312 -3.659 2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -1.886 -3.051 -0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.988 -1.625 0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -1.799 -5.357 0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.919 -5.455 2.084 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.454 -4.723 0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 110 0.322 -1.954 -0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 110 0.261 -2.123 1.580 1.00 0.00 H new ATOM 0 HD13 ILE A 110 0.365 -3.571 0.551 1.00 0.00 H new ATOM 1674 N LEU A 111 -3.560 -3.518 4.722 1.00 0.00 N ATOM 1675 CA LEU A 111 -4.175 -4.287 5.789 1.00 0.00 C ATOM 1676 C LEU A 111 -5.531 -3.670 6.141 1.00 0.00 C ATOM 1677 O LEU A 111 -6.569 -4.306 5.970 1.00 0.00 O ATOM 1678 CB LEU A 111 -3.225 -4.404 6.982 1.00 0.00 C ATOM 1679 CG LEU A 111 -2.811 -5.825 7.373 1.00 0.00 C ATOM 1680 CD1 LEU A 111 -1.996 -5.821 8.668 1.00 0.00 C ATOM 1681 CD2 LEU A 111 -4.029 -6.745 7.465 1.00 0.00 C ATOM 0 H LEU A 111 -2.791 -2.917 5.019 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.365 -5.309 5.461 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.324 -3.832 6.761 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -3.697 -3.934 7.845 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.167 -6.222 6.588 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -1.714 -6.842 8.924 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -1.097 -5.220 8.530 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -2.595 -5.397 9.474 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.707 -7.748 7.744 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.718 -6.362 8.218 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.531 -6.781 6.498 1.00 0.00 H new ATOM 1693 N GLU A 112 -5.476 -2.438 6.625 1.00 0.00 N ATOM 1694 CA GLU A 112 -6.686 -1.728 7.002 1.00 0.00 C ATOM 1695 C GLU A 112 -7.711 -1.787 5.867 1.00 0.00 C ATOM 1696 O GLU A 112 -8.907 -1.610 6.097 1.00 0.00 O ATOM 1697 CB GLU A 112 -6.375 -0.280 7.385 1.00 0.00 C ATOM 1698 CG GLU A 112 -5.351 -0.221 8.520 1.00 0.00 C ATOM 1699 CD GLU A 112 -5.719 0.862 9.536 1.00 0.00 C ATOM 1700 OE1 GLU A 112 -5.399 2.037 9.255 1.00 0.00 O ATOM 1701 OE2 GLU A 112 -6.313 0.490 10.572 1.00 0.00 O ATOM 0 H GLU A 112 -4.612 -1.913 6.765 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.113 -2.217 7.877 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.992 0.255 6.516 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -7.292 0.224 7.691 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.299 -1.189 9.018 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.361 -0.019 8.111 1.00 0.00 H new ATOM 1708 N SER A 113 -7.206 -2.035 4.668 1.00 0.00 N ATOM 1709 CA SER A 113 -8.063 -2.119 3.498 1.00 0.00 C ATOM 1710 C SER A 113 -8.432 -3.578 3.224 1.00 0.00 C ATOM 1711 O SER A 113 -8.741 -3.942 2.090 1.00 0.00 O ATOM 1712 CB SER A 113 -7.383 -1.505 2.272 1.00 0.00 C ATOM 1713 OG SER A 113 -6.445 -0.494 2.633 1.00 0.00 O ATOM 0 H SER A 113 -6.214 -2.181 4.481 1.00 0.00 H new ATOM 0 HA SER A 113 -8.972 -1.552 3.698 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.874 -2.288 1.709 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.140 -1.079 1.613 1.00 0.00 H new ATOM 0 HG SER A 113 -5.611 -0.913 2.931 1.00 0.00 H new ATOM 1719 N LYS A 114 -8.389 -4.375 4.281 1.00 0.00 N ATOM 1720 CA LYS A 114 -8.716 -5.786 4.169 1.00 0.00 C ATOM 1721 C LYS A 114 -10.228 -5.943 3.995 1.00 0.00 C ATOM 1722 O LYS A 114 -10.683 -6.626 3.079 1.00 0.00 O ATOM 1723 CB LYS A 114 -8.149 -6.564 5.359 1.00 0.00 C ATOM 1724 CG LYS A 114 -6.810 -7.211 5.004 1.00 0.00 C ATOM 1725 CD LYS A 114 -6.371 -8.196 6.090 1.00 0.00 C ATOM 1726 CE LYS A 114 -7.420 -9.292 6.291 1.00 0.00 C ATOM 1727 NZ LYS A 114 -6.777 -10.625 6.318 1.00 0.00 N ATOM 0 H LYS A 114 -8.132 -4.070 5.220 1.00 0.00 H new ATOM 0 HA LYS A 114 -8.247 -6.216 3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.019 -5.893 6.208 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.858 -7.333 5.666 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.895 -7.731 4.050 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.051 -6.439 4.880 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -5.417 -8.646 5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.212 -7.663 7.027 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.958 -9.122 7.224 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.155 -9.252 5.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.480 -11.354 6.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.003 -10.651 5.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.395 -10.807 7.268 1.00 0.00 H new ATOM 1741 N PRO A 115 -10.983 -5.282 4.912 1.00 0.00 N ATOM 1742 CA PRO A 115 -12.434 -5.341 4.869 1.00 0.00 C ATOM 1743 C PRO A 115 -12.985 -4.472 3.737 1.00 0.00 C ATOM 1744 O PRO A 115 -14.082 -4.718 3.238 1.00 0.00 O ATOM 1745 CB PRO A 115 -12.888 -4.883 6.246 1.00 0.00 C ATOM 1746 CG PRO A 115 -11.705 -4.144 6.850 1.00 0.00 C ATOM 1747 CD PRO A 115 -10.478 -4.464 6.011 1.00 0.00 C ATOM 0 HA PRO A 115 -12.808 -6.342 4.654 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -13.759 -4.232 6.174 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -13.175 -5.733 6.865 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -11.891 -3.070 6.861 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -11.551 -4.451 7.884 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -10.003 -3.555 5.642 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -9.729 -5.002 6.593 1.00 0.00 H new ATOM 1755 N GLU A 116 -12.199 -3.472 3.366 1.00 0.00 N ATOM 1756 CA GLU A 116 -12.594 -2.565 2.302 1.00 0.00 C ATOM 1757 C GLU A 116 -13.252 -3.341 1.159 1.00 0.00 C ATOM 1758 O GLU A 116 -12.827 -4.447 0.830 1.00 0.00 O ATOM 1759 CB GLU A 116 -11.397 -1.756 1.798 1.00 0.00 C ATOM 1760 CG GLU A 116 -11.398 -0.346 2.392 1.00 0.00 C ATOM 1761 CD GLU A 116 -11.996 0.662 1.409 1.00 0.00 C ATOM 1762 OE1 GLU A 116 -11.826 0.436 0.191 1.00 0.00 O ATOM 1763 OE2 GLU A 116 -12.608 1.636 1.897 1.00 0.00 O ATOM 0 H GLU A 116 -11.290 -3.270 3.783 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.323 -1.861 2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.471 -2.266 2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.426 -1.696 0.710 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -11.971 -0.339 3.319 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.379 -0.053 2.644 1.00 0.00 H new ATOM 1770 N PRO A 117 -14.305 -2.714 0.571 1.00 0.00 N ATOM 1771 CA PRO A 117 -15.026 -3.333 -0.528 1.00 0.00 C ATOM 1772 C PRO A 117 -14.216 -3.263 -1.824 1.00 0.00 C ATOM 1773 O PRO A 117 -14.315 -4.150 -2.671 1.00 0.00 O ATOM 1774 CB PRO A 117 -16.343 -2.579 -0.610 1.00 0.00 C ATOM 1775 CG PRO A 117 -16.122 -1.272 0.134 1.00 0.00 C ATOM 1776 CD PRO A 117 -14.836 -1.403 0.934 1.00 0.00 C ATOM 0 HA PRO A 117 -15.201 -4.397 -0.369 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -16.624 -2.395 -1.647 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -17.151 -3.154 -0.158 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -16.052 -0.441 -0.567 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -16.963 -1.062 0.795 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -14.133 -0.608 0.686 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -15.027 -1.336 2.005 1.00 0.00 H new ATOM 1784 N GLN A 118 -13.433 -2.201 -1.938 1.00 0.00 N ATOM 1785 CA GLN A 118 -12.606 -2.003 -3.117 1.00 0.00 C ATOM 1786 C GLN A 118 -11.252 -1.409 -2.722 1.00 0.00 C ATOM 1787 O GLN A 118 -11.058 -1.005 -1.576 1.00 0.00 O ATOM 1788 CB GLN A 118 -13.316 -1.118 -4.143 1.00 0.00 C ATOM 1789 CG GLN A 118 -13.117 0.364 -3.818 1.00 0.00 C ATOM 1790 CD GLN A 118 -14.308 1.195 -4.300 1.00 0.00 C ATOM 1791 OE1 GLN A 118 -14.391 1.305 -5.623 1.00 0.00 O flip ATOM 1792 NE2 GLN A 118 -15.100 1.703 -3.523 1.00 0.00 N flip ATOM 0 H GLN A 118 -13.353 -1.468 -1.233 1.00 0.00 H new ATOM 0 HA GLN A 118 -12.433 -2.973 -3.582 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -12.931 -1.330 -5.140 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -14.381 -1.352 -4.156 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -12.992 0.491 -2.743 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -12.203 0.724 -4.290 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -14.979 1.580 -2.518 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -15.883 2.251 -3.879 1.00 0.00 H new ATOM 1801 N VAL A 119 -10.352 -1.373 -3.693 1.00 0.00 N ATOM 1802 CA VAL A 119 -9.022 -0.834 -3.461 1.00 0.00 C ATOM 1803 C VAL A 119 -8.549 -0.099 -4.717 1.00 0.00 C ATOM 1804 O VAL A 119 -8.483 -0.686 -5.796 1.00 0.00 O ATOM 1805 CB VAL A 119 -8.073 -1.953 -3.029 1.00 0.00 C ATOM 1806 CG1 VAL A 119 -6.821 -1.381 -2.360 1.00 0.00 C ATOM 1807 CG2 VAL A 119 -8.781 -2.947 -2.107 1.00 0.00 C ATOM 0 H VAL A 119 -10.517 -1.708 -4.642 1.00 0.00 H new ATOM 0 HA VAL A 119 -9.039 -0.109 -2.647 1.00 0.00 H new ATOM 0 HB VAL A 119 -7.760 -2.491 -3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.163 -2.197 -2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.298 -0.731 -3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -7.109 -0.807 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -8.084 -3.732 -1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -9.137 -2.428 -1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -9.628 -3.390 -2.631 1.00 0.00 H new ATOM 1817 N GLU A 120 -8.230 1.174 -4.534 1.00 0.00 N ATOM 1818 CA GLU A 120 -7.764 1.995 -5.639 1.00 0.00 C ATOM 1819 C GLU A 120 -6.252 2.207 -5.542 1.00 0.00 C ATOM 1820 O GLU A 120 -5.782 2.969 -4.698 1.00 0.00 O ATOM 1821 CB GLU A 120 -8.504 3.333 -5.677 1.00 0.00 C ATOM 1822 CG GLU A 120 -8.010 4.200 -6.838 1.00 0.00 C ATOM 1823 CD GLU A 120 -8.181 5.687 -6.523 1.00 0.00 C ATOM 1824 OE1 GLU A 120 -7.353 6.200 -5.739 1.00 0.00 O ATOM 1825 OE2 GLU A 120 -9.135 6.278 -7.073 1.00 0.00 O ATOM 0 H GLU A 120 -8.285 1.657 -3.637 1.00 0.00 H new ATOM 0 HA GLU A 120 -7.978 1.472 -6.571 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.575 3.158 -5.779 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.356 3.861 -4.735 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -6.960 3.985 -7.036 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -8.563 3.951 -7.744 1.00 0.00 H new ATOM 1832 N LEU A 121 -5.533 1.519 -6.417 1.00 0.00 N ATOM 1833 CA LEU A 121 -4.084 1.623 -6.440 1.00 0.00 C ATOM 1834 C LEU A 121 -3.664 2.598 -7.542 1.00 0.00 C ATOM 1835 O LEU A 121 -4.443 2.889 -8.448 1.00 0.00 O ATOM 1836 CB LEU A 121 -3.450 0.237 -6.572 1.00 0.00 C ATOM 1837 CG LEU A 121 -3.382 -0.594 -5.289 1.00 0.00 C ATOM 1838 CD1 LEU A 121 -4.634 -0.386 -4.434 1.00 0.00 C ATOM 1839 CD2 LEU A 121 -3.143 -2.072 -5.605 1.00 0.00 C ATOM 0 H LEU A 121 -5.927 0.888 -7.115 1.00 0.00 H new ATOM 0 HA LEU A 121 -3.716 2.029 -5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.010 -0.327 -7.318 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.438 0.358 -6.957 1.00 0.00 H new ATOM 0 HG LEU A 121 -2.531 -0.248 -4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -4.560 -0.988 -3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -4.720 0.667 -4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -5.515 -0.688 -5.000 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -3.099 -2.640 -4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -3.959 -2.449 -6.222 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -2.201 -2.181 -6.142 1.00 0.00 H new ATOM 1851 N VAL A 122 -2.434 3.077 -7.427 1.00 0.00 N ATOM 1852 CA VAL A 122 -1.902 4.013 -8.402 1.00 0.00 C ATOM 1853 C VAL A 122 -0.403 3.760 -8.581 1.00 0.00 C ATOM 1854 O VAL A 122 0.306 3.501 -7.610 1.00 0.00 O ATOM 1855 CB VAL A 122 -2.219 5.448 -7.977 1.00 0.00 C ATOM 1856 CG1 VAL A 122 -3.300 5.473 -6.895 1.00 0.00 C ATOM 1857 CG2 VAL A 122 -0.956 6.172 -7.507 1.00 0.00 C ATOM 0 H VAL A 122 -1.791 2.834 -6.673 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.375 3.863 -9.372 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.605 5.978 -8.848 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -3.507 6.505 -6.611 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -4.210 5.013 -7.280 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.954 4.919 -6.022 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.209 7.190 -7.211 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.528 5.642 -6.656 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.230 6.201 -8.319 1.00 0.00 H new ATOM 1867 N VAL A 123 0.034 3.843 -9.829 1.00 0.00 N ATOM 1868 CA VAL A 123 1.435 3.627 -10.147 1.00 0.00 C ATOM 1869 C VAL A 123 1.912 4.722 -11.103 1.00 0.00 C ATOM 1870 O VAL A 123 1.167 5.150 -11.983 1.00 0.00 O ATOM 1871 CB VAL A 123 1.632 2.217 -10.708 1.00 0.00 C ATOM 1872 CG1 VAL A 123 2.101 1.253 -9.616 1.00 0.00 C ATOM 1873 CG2 VAL A 123 0.352 1.708 -11.376 1.00 0.00 C ATOM 0 H VAL A 123 -0.558 4.057 -10.632 1.00 0.00 H new ATOM 0 HA VAL A 123 2.046 3.693 -9.246 1.00 0.00 H new ATOM 0 HB VAL A 123 2.411 2.265 -11.469 1.00 0.00 H new ATOM 0 HG11 VAL A 123 2.233 0.258 -10.041 1.00 0.00 H new ATOM 0 HG12 VAL A 123 3.049 1.601 -9.206 1.00 0.00 H new ATOM 0 HG13 VAL A 123 1.355 1.212 -8.822 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.520 0.704 -11.766 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.455 1.683 -10.644 1.00 0.00 H new ATOM 0 HG23 VAL A 123 0.079 2.374 -12.194 1.00 0.00 H new ATOM 1883 N SER A 124 3.151 5.144 -10.897 1.00 0.00 N ATOM 1884 CA SER A 124 3.736 6.182 -11.729 1.00 0.00 C ATOM 1885 C SER A 124 4.760 5.569 -12.686 1.00 0.00 C ATOM 1886 O SER A 124 5.682 4.878 -12.255 1.00 0.00 O ATOM 1887 CB SER A 124 4.391 7.269 -10.875 1.00 0.00 C ATOM 1888 OG SER A 124 5.365 8.008 -11.606 1.00 0.00 O ATOM 0 H SER A 124 3.766 4.786 -10.166 1.00 0.00 H new ATOM 0 HA SER A 124 2.938 6.646 -12.309 1.00 0.00 H new ATOM 0 HB2 SER A 124 3.624 7.949 -10.503 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.861 6.812 -10.004 1.00 0.00 H new ATOM 0 HG SER A 124 5.759 8.693 -11.026 1.00 0.00 H new ATOM 1894 N ARG A 125 4.565 5.845 -13.967 1.00 0.00 N ATOM 1895 CA ARG A 125 5.461 5.330 -14.988 1.00 0.00 C ATOM 1896 C ARG A 125 6.249 6.474 -15.629 1.00 0.00 C ATOM 1897 O ARG A 125 5.879 7.639 -15.495 1.00 0.00 O ATOM 1898 CB ARG A 125 4.685 4.582 -16.075 1.00 0.00 C ATOM 1899 CG ARG A 125 5.135 3.122 -16.163 1.00 0.00 C ATOM 1900 CD ARG A 125 4.072 2.262 -16.849 1.00 0.00 C ATOM 1901 NE ARG A 125 3.973 0.947 -16.177 1.00 0.00 N ATOM 1902 CZ ARG A 125 3.495 -0.160 -16.760 1.00 0.00 C ATOM 1903 NH1 ARG A 125 3.069 -0.119 -18.030 1.00 0.00 N ATOM 1904 NH2 ARG A 125 3.443 -1.310 -16.073 1.00 0.00 N ATOM 0 H ARG A 125 3.800 6.419 -14.321 1.00 0.00 H new ATOM 0 HA ARG A 125 6.149 4.636 -14.506 1.00 0.00 H new ATOM 0 HB2 ARG A 125 3.617 4.625 -15.860 1.00 0.00 H new ATOM 0 HB3 ARG A 125 4.836 5.072 -17.037 1.00 0.00 H new ATOM 0 HG2 ARG A 125 6.072 3.059 -16.717 1.00 0.00 H new ATOM 0 HG3 ARG A 125 5.330 2.737 -15.162 1.00 0.00 H new ATOM 0 HD2 ARG A 125 3.107 2.769 -16.818 1.00 0.00 H new ATOM 0 HD3 ARG A 125 4.327 2.124 -17.900 1.00 0.00 H new ATOM 0 HE ARG A 125 4.289 0.880 -15.209 1.00 0.00 H new ATOM 0 HH11 ARG A 125 3.109 0.756 -18.553 1.00 0.00 H new ATOM 0 HH12 ARG A 125 2.705 -0.962 -18.473 1.00 0.00 H new ATOM 0 HH21 ARG A 125 3.767 -1.342 -15.106 1.00 0.00 H new ATOM 0 HH22 ARG A 125 3.079 -2.153 -16.517 1.00 0.00 H new ATOM 1918 N SER A 126 7.322 6.101 -16.312 1.00 0.00 N ATOM 1919 CA SER A 126 8.165 7.082 -16.974 1.00 0.00 C ATOM 1920 C SER A 126 8.089 6.898 -18.491 1.00 0.00 C ATOM 1921 O SER A 126 8.680 5.969 -19.038 1.00 0.00 O ATOM 1922 CB SER A 126 9.615 6.972 -16.499 1.00 0.00 C ATOM 1923 OG SER A 126 10.328 5.950 -17.191 1.00 0.00 O ATOM 0 H SER A 126 7.626 5.134 -16.421 1.00 0.00 H new ATOM 0 HA SER A 126 7.800 8.076 -16.716 1.00 0.00 H new ATOM 0 HB2 SER A 126 10.118 7.928 -16.646 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.631 6.764 -15.429 1.00 0.00 H new ATOM 0 HG SER A 126 9.717 5.474 -17.791 1.00 0.00 H new ATOM 1929 N GLY A 127 7.355 7.800 -19.128 1.00 0.00 N ATOM 1930 CA GLY A 127 7.194 7.749 -20.571 1.00 0.00 C ATOM 1931 C GLY A 127 8.435 8.294 -21.281 1.00 0.00 C ATOM 1932 O GLY A 127 9.484 8.463 -20.662 1.00 0.00 O ATOM 0 H GLY A 127 6.866 8.570 -18.671 1.00 0.00 H new ATOM 0 HA2 GLY A 127 7.014 6.721 -20.884 1.00 0.00 H new ATOM 0 HA3 GLY A 127 6.319 8.329 -20.864 1.00 0.00 H new ATOM 1936 N PRO A 128 8.270 8.560 -22.605 1.00 0.00 N ATOM 1937 CA PRO A 128 9.364 9.082 -23.406 1.00 0.00 C ATOM 1938 C PRO A 128 9.607 10.562 -23.103 1.00 0.00 C ATOM 1939 O PRO A 128 8.755 11.404 -23.381 1.00 0.00 O ATOM 1940 CB PRO A 128 8.952 8.830 -24.847 1.00 0.00 C ATOM 1941 CG PRO A 128 7.449 8.603 -24.817 1.00 0.00 C ATOM 1942 CD PRO A 128 7.041 8.371 -23.371 1.00 0.00 C ATOM 0 HA PRO A 128 10.315 8.596 -23.187 1.00 0.00 H new ATOM 0 HB2 PRO A 128 9.206 9.680 -25.480 1.00 0.00 H new ATOM 0 HB3 PRO A 128 9.470 7.962 -25.255 1.00 0.00 H new ATOM 0 HG2 PRO A 128 6.924 9.466 -25.228 1.00 0.00 H new ATOM 0 HG3 PRO A 128 7.180 7.744 -25.432 1.00 0.00 H new ATOM 0 HD2 PRO A 128 6.268 9.074 -23.060 1.00 0.00 H new ATOM 0 HD3 PRO A 128 6.636 7.369 -23.230 1.00 0.00 H new ATOM 1950 N SER A 129 10.775 10.833 -22.539 1.00 0.00 N ATOM 1951 CA SER A 129 11.141 12.197 -22.196 1.00 0.00 C ATOM 1952 C SER A 129 12.427 12.592 -22.924 1.00 0.00 C ATOM 1953 O SER A 129 13.242 11.735 -23.263 1.00 0.00 O ATOM 1954 CB SER A 129 11.317 12.356 -20.684 1.00 0.00 C ATOM 1955 OG SER A 129 12.497 11.711 -20.213 1.00 0.00 O ATOM 0 H SER A 129 11.480 10.132 -22.311 1.00 0.00 H new ATOM 0 HA SER A 129 10.334 12.858 -22.512 1.00 0.00 H new ATOM 0 HB2 SER A 129 11.359 13.416 -20.433 1.00 0.00 H new ATOM 0 HB3 SER A 129 10.448 11.941 -20.172 1.00 0.00 H new ATOM 0 HG SER A 129 12.574 11.837 -19.244 1.00 0.00 H new ATOM 1961 N SER A 130 12.569 13.891 -23.144 1.00 0.00 N ATOM 1962 CA SER A 130 13.743 14.410 -23.826 1.00 0.00 C ATOM 1963 C SER A 130 15.008 14.024 -23.058 1.00 0.00 C ATOM 1964 O SER A 130 14.993 13.939 -21.831 1.00 0.00 O ATOM 1965 CB SER A 130 13.661 15.930 -23.983 1.00 0.00 C ATOM 1966 OG SER A 130 14.599 16.420 -24.937 1.00 0.00 O ATOM 0 H SER A 130 11.891 14.599 -22.862 1.00 0.00 H new ATOM 0 HA SER A 130 13.782 13.970 -24.822 1.00 0.00 H new ATOM 0 HB2 SER A 130 12.653 16.209 -24.290 1.00 0.00 H new ATOM 0 HB3 SER A 130 13.843 16.404 -23.019 1.00 0.00 H new ATOM 0 HG SER A 130 14.514 17.394 -25.009 1.00 0.00 H new ATOM 1972 N GLY A 131 16.074 13.799 -23.812 1.00 0.00 N ATOM 1973 CA GLY A 131 17.346 13.424 -23.218 1.00 0.00 C ATOM 1974 C GLY A 131 17.595 11.921 -23.361 1.00 0.00 C ATOM 1975 O GLY A 131 17.386 11.353 -24.432 1.00 0.00 O ATOM 0 H GLY A 131 16.083 13.869 -24.830 1.00 0.00 H new ATOM 0 HA2 GLY A 131 18.153 13.977 -23.698 1.00 0.00 H new ATOM 0 HA3 GLY A 131 17.354 13.699 -22.163 1.00 0.00 H new TER 1979 GLY A 131