USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 898 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 57 SER OG : rot -106:sc= 1.56 USER MOD Set 1.2: B 96 LYS NZ :NH3+ -152:sc= -0.225 (180deg=-0.327) USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 3 THR OG1 : rot -76:sc= 1.12 USER MOD Single : B 5 ASN : amide:sc= -0.667 K(o=-0.67,f=0) USER MOD Single : B 7 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : B 9 MET CE :methyl 162:sc= -0.0506 (180deg=-0.408) USER MOD Single : B -1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B -7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B -8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B -9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0.00186 USER MOD Single : B 11 LYS NZ :NH3+ 162:sc= 1.7 (180deg=1.22) USER MOD Single : B 16 ASN : amide:sc= -0.68 K(o=-0.68,f=0) USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 MET CE :methyl -167:sc= 0 (180deg=-0.147) USER MOD Single : B 19 THR OG1 : rot -88:sc= -0.856! USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 37 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.137) USER MOD Single : B 38 LYS NZ :NH3+ -175:sc= 0.371 (180deg=0.291) USER MOD Single : B 44 LYS NZ :NH3+ 166:sc= 1.25 (180deg=1.04) USER MOD Single : B 45 MET CE :methyl 177:sc= -2.23 (180deg=-2.25) USER MOD Single : B 46 THR OG1 : rot 180:sc= -0.0223 USER MOD Single : B 47 TYR OH : rot 19:sc= 0.645 USER MOD Single : B 49 GLN : amide:sc= -0.0827 X(o=-0.083,f=-0.47) USER MOD Single : B 52 THR OG1 : rot -39:sc= 0.0134 USER MOD Single : B 58 THR OG1 : rot 173:sc= -0.799 USER MOD Single : B 59 LYS NZ :NH3+ -167:sc= -0.0339 (180deg=-0.263) USER MOD Single : B 60 LYS NZ :NH3+ -165:sc= 1.27 (180deg=1.18) USER MOD Single : B 62 GLN : amide:sc= -0.245 K(o=-0.25,f=-0.85) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 68 SER OG : rot 180:sc= 0 USER MOD Single : B 69 MET CE :methyl 160:sc= -1.81 (180deg=-3.26!) USER MOD Single : B 72 LYS NZ :NH3+ 145:sc= 1.13 (180deg=0.491) USER MOD Single : B 74 ASN : amide:sc= 0.287 X(o=0.29,f=0) USER MOD Single : B 75 SER OG : rot 180:sc= 0 USER MOD Single : B 77 THR OG1 : rot -150:sc= 0.217 USER MOD Single : B 80 THR OG1 : rot 93:sc= 1.23 USER MOD Single : B 84 SER OG : rot 80:sc= 1.27 USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-0.63) USER MOD Single : B -10 HIS : no HD1:sc= -0.0389 X(o=-0.039,f=-0.41) USER MOD Single : B -11 HIS : no HD1:sc= -0.0234 X(o=-0.023,f=-0.023) USER MOD Single : B -12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B -14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B -14 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET B -14 17.454 20.858 -21.969 1.00 0.00 N ATOM 2 CA MET B -14 16.178 20.971 -21.229 1.00 0.00 C ATOM 3 C MET B -14 16.239 20.179 -19.927 1.00 0.00 C ATOM 4 O MET B -14 16.133 20.748 -18.842 1.00 0.00 O ATOM 5 CB MET B -14 15.018 20.468 -22.091 1.00 0.00 C ATOM 6 CG MET B -14 13.658 20.589 -21.424 1.00 0.00 C ATOM 7 SD MET B -14 12.319 19.971 -22.462 1.00 0.00 S ATOM 8 CE MET B -14 10.902 20.300 -21.417 1.00 0.00 C ATOM 0 H1 MET B -14 17.393 21.404 -22.852 1.00 0.00 H new ATOM 0 H2 MET B -14 18.229 21.232 -21.384 1.00 0.00 H new ATOM 0 H3 MET B -14 17.639 19.859 -22.192 1.00 0.00 H new ATOM 0 HA MET B -14 16.014 22.022 -20.990 1.00 0.00 H new ATOM 0 HB2 MET B -14 15.004 21.027 -23.026 1.00 0.00 H new ATOM 0 HB3 MET B -14 15.195 19.423 -22.347 1.00 0.00 H new ATOM 0 HG2 MET B -14 13.668 20.037 -20.484 1.00 0.00 H new ATOM 0 HG3 MET B -14 13.470 21.634 -21.178 1.00 0.00 H new ATOM 0 HE1 MET B -14 9.993 19.972 -21.922 1.00 0.00 H new ATOM 0 HE2 MET B -14 11.010 19.759 -20.477 1.00 0.00 H new ATOM 0 HE3 MET B -14 10.839 21.369 -21.215 1.00 0.00 H new ATOM 20 N ALA B -13 16.422 18.870 -20.035 1.00 0.00 N ATOM 21 CA ALA B -13 16.457 18.011 -18.862 1.00 0.00 C ATOM 22 C ALA B -13 17.828 17.374 -18.693 1.00 0.00 C ATOM 23 O ALA B -13 18.223 16.504 -19.475 1.00 0.00 O ATOM 24 CB ALA B -13 15.380 16.940 -18.961 1.00 0.00 C ATOM 0 H ALA B -13 16.548 18.382 -20.922 1.00 0.00 H new ATOM 0 HA ALA B -13 16.261 18.625 -17.983 1.00 0.00 H new ATOM 0 HB1 ALA B -13 15.417 16.304 -18.077 1.00 0.00 H new ATOM 0 HB2 ALA B -13 14.401 17.414 -19.026 1.00 0.00 H new ATOM 0 HB3 ALA B -13 15.550 16.334 -19.851 1.00 0.00 H new ATOM 30 N HIS B -12 18.557 17.821 -17.682 1.00 0.00 N ATOM 31 CA HIS B -12 19.864 17.258 -17.375 1.00 0.00 C ATOM 32 C HIS B -12 19.713 16.093 -16.411 1.00 0.00 C ATOM 33 O HIS B -12 19.104 16.233 -15.349 1.00 0.00 O ATOM 34 CB HIS B -12 20.791 18.321 -16.778 1.00 0.00 C ATOM 35 CG HIS B -12 21.235 19.354 -17.764 1.00 0.00 C ATOM 36 ND1 HIS B -12 20.898 20.688 -17.669 1.00 0.00 N ATOM 37 CD2 HIS B -12 22.002 19.243 -18.874 1.00 0.00 C ATOM 38 CE1 HIS B -12 21.436 21.347 -18.676 1.00 0.00 C ATOM 39 NE2 HIS B -12 22.110 20.494 -19.420 1.00 0.00 N ATOM 0 H HIS B -12 18.265 18.574 -17.059 1.00 0.00 H new ATOM 0 HA HIS B -12 20.311 16.900 -18.302 1.00 0.00 H new ATOM 0 HB2 HIS B -12 20.278 18.816 -15.953 1.00 0.00 H new ATOM 0 HB3 HIS B -12 21.669 17.830 -16.359 1.00 0.00 H new ATOM 0 HD2 HIS B -12 22.446 18.336 -19.258 1.00 0.00 H new ATOM 0 HE1 HIS B -12 21.340 22.407 -18.860 1.00 0.00 H new ATOM 0 HE2 HIS B -12 22.629 20.728 -20.267 1.00 0.00 H new ATOM 48 N HIS B -11 20.267 14.950 -16.776 1.00 0.00 N ATOM 49 CA HIS B -11 20.120 13.744 -15.974 1.00 0.00 C ATOM 50 C HIS B -11 21.472 13.092 -15.716 1.00 0.00 C ATOM 51 O HIS B -11 22.238 12.839 -16.643 1.00 0.00 O ATOM 52 CB HIS B -11 19.164 12.748 -16.653 1.00 0.00 C ATOM 53 CG HIS B -11 19.588 12.303 -18.024 1.00 0.00 C ATOM 54 ND1 HIS B -11 20.180 11.084 -18.272 1.00 0.00 N ATOM 55 CD2 HIS B -11 19.486 12.920 -19.224 1.00 0.00 C ATOM 56 CE1 HIS B -11 20.428 10.972 -19.563 1.00 0.00 C ATOM 57 NE2 HIS B -11 20.015 12.072 -20.166 1.00 0.00 N ATOM 0 H HIS B -11 20.823 14.830 -17.622 1.00 0.00 H new ATOM 0 HA HIS B -11 19.692 14.032 -15.014 1.00 0.00 H new ATOM 0 HB2 HIS B -11 19.064 11.869 -16.016 1.00 0.00 H new ATOM 0 HB3 HIS B -11 18.177 13.204 -16.724 1.00 0.00 H new ATOM 0 HD2 HIS B -11 19.066 13.898 -19.407 1.00 0.00 H new ATOM 0 HE1 HIS B -11 20.891 10.124 -20.045 1.00 0.00 H new ATOM 0 HE2 HIS B -11 20.078 12.261 -21.166 1.00 0.00 H new ATOM 66 N HIS B -10 21.763 12.842 -14.450 1.00 0.00 N ATOM 67 CA HIS B -10 22.991 12.165 -14.059 1.00 0.00 C ATOM 68 C HIS B -10 22.704 11.227 -12.891 1.00 0.00 C ATOM 69 O HIS B -10 23.076 11.496 -11.752 1.00 0.00 O ATOM 70 CB HIS B -10 24.072 13.190 -13.682 1.00 0.00 C ATOM 71 CG HIS B -10 25.404 12.586 -13.349 1.00 0.00 C ATOM 72 ND1 HIS B -10 25.832 12.380 -12.057 1.00 0.00 N ATOM 73 CD2 HIS B -10 26.411 12.157 -14.147 1.00 0.00 C ATOM 74 CE1 HIS B -10 27.039 11.850 -12.073 1.00 0.00 C ATOM 75 NE2 HIS B -10 27.416 11.705 -13.329 1.00 0.00 N ATOM 0 H HIS B -10 21.160 13.100 -13.669 1.00 0.00 H new ATOM 0 HA HIS B -10 23.363 11.579 -14.900 1.00 0.00 H new ATOM 0 HB2 HIS B -10 24.199 13.888 -14.509 1.00 0.00 H new ATOM 0 HB3 HIS B -10 23.725 13.769 -12.827 1.00 0.00 H new ATOM 0 HD2 HIS B -10 26.421 12.169 -15.227 1.00 0.00 H new ATOM 0 HE1 HIS B -10 27.621 11.580 -11.204 1.00 0.00 H new ATOM 0 HE2 HIS B -10 28.308 11.320 -13.641 1.00 0.00 H new ATOM 84 N HIS B -9 22.016 10.132 -13.180 1.00 0.00 N ATOM 85 CA HIS B -9 21.647 9.174 -12.147 1.00 0.00 C ATOM 86 C HIS B -9 22.711 8.092 -12.034 1.00 0.00 C ATOM 87 O HIS B -9 22.835 7.428 -11.006 1.00 0.00 O ATOM 88 CB HIS B -9 20.282 8.545 -12.448 1.00 0.00 C ATOM 89 CG HIS B -9 19.138 9.516 -12.397 1.00 0.00 C ATOM 90 ND1 HIS B -9 18.181 9.505 -11.407 1.00 0.00 N ATOM 91 CD2 HIS B -9 18.793 10.526 -13.234 1.00 0.00 C ATOM 92 CE1 HIS B -9 17.300 10.461 -11.635 1.00 0.00 C ATOM 93 NE2 HIS B -9 17.649 11.096 -12.736 1.00 0.00 N ATOM 0 H HIS B -9 21.702 9.885 -14.119 1.00 0.00 H new ATOM 0 HA HIS B -9 21.576 9.704 -11.197 1.00 0.00 H new ATOM 0 HB2 HIS B -9 20.314 8.089 -13.437 1.00 0.00 H new ATOM 0 HB3 HIS B -9 20.097 7.743 -11.733 1.00 0.00 H new ATOM 0 HD2 HIS B -9 19.321 10.826 -14.127 1.00 0.00 H new ATOM 0 HE1 HIS B -9 16.439 10.685 -11.023 1.00 0.00 H new ATOM 0 HE2 HIS B -9 17.150 11.883 -13.150 1.00 0.00 H new ATOM 102 N HIS B -8 23.480 7.927 -13.100 1.00 0.00 N ATOM 103 CA HIS B -8 24.570 6.963 -13.123 1.00 0.00 C ATOM 104 C HIS B -8 25.898 7.675 -12.910 1.00 0.00 C ATOM 105 O HIS B -8 25.953 8.905 -12.930 1.00 0.00 O ATOM 106 CB HIS B -8 24.601 6.204 -14.454 1.00 0.00 C ATOM 107 CG HIS B -8 23.392 5.356 -14.708 1.00 0.00 C ATOM 108 ND1 HIS B -8 22.763 5.291 -15.932 1.00 0.00 N ATOM 109 CD2 HIS B -8 22.711 4.518 -13.893 1.00 0.00 C ATOM 110 CE1 HIS B -8 21.748 4.448 -15.859 1.00 0.00 C ATOM 111 NE2 HIS B -8 21.696 3.967 -14.632 1.00 0.00 N ATOM 0 H HIS B -8 23.368 8.453 -13.967 1.00 0.00 H new ATOM 0 HA HIS B -8 24.408 6.246 -12.318 1.00 0.00 H new ATOM 0 HB2 HIS B -8 24.703 6.923 -15.267 1.00 0.00 H new ATOM 0 HB3 HIS B -8 25.487 5.569 -14.477 1.00 0.00 H new ATOM 0 HD2 HIS B -8 22.927 4.320 -12.853 1.00 0.00 H new ATOM 0 HE1 HIS B -8 21.076 4.196 -16.666 1.00 0.00 H new ATOM 0 HE2 HIS B -8 21.011 3.294 -14.288 1.00 0.00 H new ATOM 120 N HIS B -7 26.958 6.896 -12.704 1.00 0.00 N ATOM 121 CA HIS B -7 28.307 7.434 -12.520 1.00 0.00 C ATOM 122 C HIS B -7 28.388 8.318 -11.282 1.00 0.00 C ATOM 123 O HIS B -7 29.088 9.330 -11.270 1.00 0.00 O ATOM 124 CB HIS B -7 28.767 8.220 -13.756 1.00 0.00 C ATOM 125 CG HIS B -7 29.233 7.362 -14.891 1.00 0.00 C ATOM 126 ND1 HIS B -7 30.530 7.376 -15.359 1.00 0.00 N ATOM 127 CD2 HIS B -7 28.565 6.478 -15.668 1.00 0.00 C ATOM 128 CE1 HIS B -7 30.638 6.540 -16.374 1.00 0.00 C ATOM 129 NE2 HIS B -7 29.460 5.982 -16.584 1.00 0.00 N ATOM 0 H HIS B -7 26.908 5.878 -12.660 1.00 0.00 H new ATOM 0 HA HIS B -7 28.974 6.583 -12.381 1.00 0.00 H new ATOM 0 HB2 HIS B -7 27.944 8.845 -14.102 1.00 0.00 H new ATOM 0 HB3 HIS B -7 29.576 8.890 -13.466 1.00 0.00 H new ATOM 0 HD2 HIS B -7 27.522 6.212 -15.583 1.00 0.00 H new ATOM 0 HE1 HIS B -7 31.538 6.345 -16.938 1.00 0.00 H new ATOM 0 HE2 HIS B -7 29.249 5.295 -17.308 1.00 0.00 H new ATOM 138 N VAL B -6 27.674 7.928 -10.236 1.00 0.00 N ATOM 139 CA VAL B -6 27.715 8.660 -8.979 1.00 0.00 C ATOM 140 C VAL B -6 28.835 8.127 -8.093 1.00 0.00 C ATOM 141 O VAL B -6 28.936 8.468 -6.916 1.00 0.00 O ATOM 142 CB VAL B -6 26.370 8.591 -8.223 1.00 0.00 C ATOM 143 CG1 VAL B -6 25.275 9.282 -9.021 1.00 0.00 C ATOM 144 CG2 VAL B -6 25.984 7.151 -7.923 1.00 0.00 C ATOM 0 H VAL B -6 27.062 7.112 -10.233 1.00 0.00 H new ATOM 0 HA VAL B -6 27.906 9.706 -9.220 1.00 0.00 H new ATOM 0 HB VAL B -6 26.490 9.112 -7.273 1.00 0.00 H new ATOM 0 HG11 VAL B -6 24.334 9.224 -8.474 1.00 0.00 H new ATOM 0 HG12 VAL B -6 25.541 10.328 -9.175 1.00 0.00 H new ATOM 0 HG13 VAL B -6 25.164 8.790 -9.987 1.00 0.00 H new ATOM 0 HG21 VAL B -6 25.033 7.133 -7.390 1.00 0.00 H new ATOM 0 HG22 VAL B -6 25.887 6.598 -8.857 1.00 0.00 H new ATOM 0 HG23 VAL B -6 26.755 6.689 -7.306 1.00 0.00 H new ATOM 154 N ASP B -5 29.672 7.282 -8.680 1.00 0.00 N ATOM 155 CA ASP B -5 30.833 6.734 -7.989 1.00 0.00 C ATOM 156 C ASP B -5 31.970 7.745 -8.006 1.00 0.00 C ATOM 157 O ASP B -5 32.953 7.611 -7.280 1.00 0.00 O ATOM 158 CB ASP B -5 31.297 5.431 -8.651 1.00 0.00 C ATOM 159 CG ASP B -5 30.251 4.334 -8.605 1.00 0.00 C ATOM 160 OD1 ASP B -5 30.323 3.471 -7.703 1.00 0.00 O ATOM 161 OD2 ASP B -5 29.355 4.320 -9.477 1.00 0.00 O1- ATOM 0 H ASP B -5 29.567 6.959 -9.642 1.00 0.00 H new ATOM 0 HA ASP B -5 30.548 6.520 -6.959 1.00 0.00 H new ATOM 0 HB2 ASP B -5 31.559 5.632 -9.690 1.00 0.00 H new ATOM 0 HB3 ASP B -5 32.203 5.082 -8.156 1.00 0.00 H new ATOM 166 N ASP B -4 31.836 8.750 -8.860 1.00 0.00 N ATOM 167 CA ASP B -4 32.822 9.817 -8.951 1.00 0.00 C ATOM 168 C ASP B -4 32.421 10.954 -8.023 1.00 0.00 C ATOM 169 O ASP B -4 31.418 11.630 -8.263 1.00 0.00 O ATOM 170 CB ASP B -4 32.928 10.321 -10.391 1.00 0.00 C ATOM 171 CG ASP B -4 34.081 11.283 -10.594 1.00 0.00 C ATOM 172 OD1 ASP B -4 33.897 12.500 -10.398 1.00 0.00 O ATOM 173 OD2 ASP B -4 35.179 10.825 -10.974 1.00 0.00 O1- ATOM 0 H ASP B -4 31.050 8.849 -9.503 1.00 0.00 H new ATOM 0 HA ASP B -4 33.797 9.433 -8.650 1.00 0.00 H new ATOM 0 HB2 ASP B -4 33.049 9.470 -11.061 1.00 0.00 H new ATOM 0 HB3 ASP B -4 31.996 10.814 -10.668 1.00 0.00 H new ATOM 178 N ASP B -3 33.208 11.150 -6.968 1.00 0.00 N ATOM 179 CA ASP B -3 32.887 12.108 -5.908 1.00 0.00 C ATOM 180 C ASP B -3 31.570 11.732 -5.232 1.00 0.00 C ATOM 181 O ASP B -3 30.505 12.262 -5.563 1.00 0.00 O ATOM 182 CB ASP B -3 32.833 13.547 -6.443 1.00 0.00 C ATOM 183 CG ASP B -3 32.588 14.567 -5.344 1.00 0.00 C ATOM 184 OD1 ASP B -3 31.727 15.457 -5.526 1.00 0.00 O ATOM 185 OD2 ASP B -3 33.253 14.488 -4.289 1.00 0.00 O1- ATOM 0 H ASP B -3 34.086 10.651 -6.822 1.00 0.00 H new ATOM 0 HA ASP B -3 33.685 12.065 -5.167 1.00 0.00 H new ATOM 0 HB2 ASP B -3 33.771 13.779 -6.947 1.00 0.00 H new ATOM 0 HB3 ASP B -3 32.042 13.624 -7.189 1.00 0.00 H new ATOM 190 N ASP B -2 31.654 10.791 -4.297 1.00 0.00 N ATOM 191 CA ASP B -2 30.487 10.318 -3.558 1.00 0.00 C ATOM 192 C ASP B -2 29.904 11.442 -2.715 1.00 0.00 C ATOM 193 O ASP B -2 30.606 12.036 -1.892 1.00 0.00 O ATOM 194 CB ASP B -2 30.858 9.140 -2.651 1.00 0.00 C ATOM 195 CG ASP B -2 31.193 7.876 -3.417 1.00 0.00 C ATOM 196 OD1 ASP B -2 32.391 7.625 -3.671 1.00 0.00 O ATOM 197 OD2 ASP B -2 30.263 7.116 -3.754 1.00 0.00 O1- ATOM 0 H ASP B -2 32.527 10.337 -4.031 1.00 0.00 H new ATOM 0 HA ASP B -2 29.743 9.985 -4.282 1.00 0.00 H new ATOM 0 HB2 ASP B -2 31.712 9.420 -2.034 1.00 0.00 H new ATOM 0 HB3 ASP B -2 30.029 8.937 -1.973 1.00 0.00 H new ATOM 202 N LYS B -1 28.626 11.732 -2.911 1.00 0.00 N ATOM 203 CA LYS B -1 27.989 12.841 -2.226 1.00 0.00 C ATOM 204 C LYS B -1 26.622 12.424 -1.712 1.00 0.00 C ATOM 205 O LYS B -1 25.997 11.521 -2.271 1.00 0.00 O ATOM 206 CB LYS B -1 27.853 14.034 -3.177 1.00 0.00 C ATOM 207 CG LYS B -1 26.917 13.779 -4.352 1.00 0.00 C ATOM 208 CD LYS B -1 26.926 14.935 -5.340 1.00 0.00 C ATOM 209 CE LYS B -1 28.232 15.005 -6.115 1.00 0.00 C ATOM 210 NZ LYS B -1 28.289 16.198 -6.998 1.00 0.00 N1+ ATOM 0 H LYS B -1 28.012 11.213 -3.539 1.00 0.00 H new ATOM 0 HA LYS B -1 28.607 13.134 -1.377 1.00 0.00 H new ATOM 0 HB2 LYS B -1 27.490 14.895 -2.616 1.00 0.00 H new ATOM 0 HB3 LYS B -1 28.839 14.296 -3.560 1.00 0.00 H new ATOM 0 HG2 LYS B -1 27.214 12.862 -4.862 1.00 0.00 H new ATOM 0 HG3 LYS B -1 25.903 13.624 -3.983 1.00 0.00 H new ATOM 0 HD2 LYS B -1 26.095 14.824 -6.037 1.00 0.00 H new ATOM 0 HD3 LYS B -1 26.770 15.872 -4.805 1.00 0.00 H new ATOM 0 HE2 LYS B -1 29.068 15.030 -5.416 1.00 0.00 H new ATOM 0 HE3 LYS B -1 28.346 14.103 -6.716 1.00 0.00 H new ATOM 0 HZ1 LYS B -1 29.195 16.209 -7.509 1.00 0.00 H new ATOM 0 HZ2 LYS B -1 27.506 16.161 -7.682 1.00 0.00 H new ATOM 0 HZ3 LYS B -1 28.206 17.060 -6.422 1.00 0.00 H new ATOM 224 N MET B 0 26.176 13.084 -0.647 1.00 0.00 N ATOM 225 CA MET B 0 24.855 12.848 -0.069 1.00 0.00 C ATOM 226 C MET B 0 24.734 11.452 0.539 1.00 0.00 C ATOM 227 O MET B 0 24.901 11.280 1.745 1.00 0.00 O ATOM 228 CB MET B 0 23.761 13.071 -1.117 1.00 0.00 C ATOM 229 CG MET B 0 23.600 14.526 -1.520 1.00 0.00 C ATOM 230 SD MET B 0 23.181 15.587 -0.123 1.00 0.00 S ATOM 231 CE MET B 0 23.232 17.199 -0.899 1.00 0.00 C ATOM 0 H MET B 0 26.719 13.797 -0.160 1.00 0.00 H new ATOM 0 HA MET B 0 24.724 13.567 0.739 1.00 0.00 H new ATOM 0 HB2 MET B 0 23.991 12.480 -2.003 1.00 0.00 H new ATOM 0 HB3 MET B 0 22.813 12.703 -0.726 1.00 0.00 H new ATOM 0 HG2 MET B 0 24.526 14.878 -1.975 1.00 0.00 H new ATOM 0 HG3 MET B 0 22.822 14.606 -2.279 1.00 0.00 H new ATOM 0 HE1 MET B 0 22.994 17.966 -0.162 1.00 0.00 H new ATOM 0 HE2 MET B 0 24.230 17.379 -1.300 1.00 0.00 H new ATOM 0 HE3 MET B 0 22.504 17.236 -1.709 1.00 0.00 H new ATOM 241 N GLU B 1 24.458 10.462 -0.300 1.00 0.00 N ATOM 242 CA GLU B 1 24.240 9.095 0.156 1.00 0.00 C ATOM 243 C GLU B 1 24.893 8.106 -0.800 1.00 0.00 C ATOM 244 O GLU B 1 24.369 7.831 -1.881 1.00 0.00 O ATOM 245 CB GLU B 1 22.739 8.798 0.257 1.00 0.00 C ATOM 246 CG GLU B 1 22.035 9.526 1.391 1.00 0.00 C ATOM 247 CD GLU B 1 22.376 8.959 2.754 1.00 0.00 C ATOM 248 OE1 GLU B 1 23.321 9.450 3.399 1.00 0.00 O ATOM 249 OE2 GLU B 1 21.685 8.015 3.197 1.00 0.00 O1- ATOM 0 H GLU B 1 24.379 10.582 -1.310 1.00 0.00 H new ATOM 0 HA GLU B 1 24.691 8.988 1.142 1.00 0.00 H new ATOM 0 HB2 GLU B 1 22.262 9.069 -0.685 1.00 0.00 H new ATOM 0 HB3 GLU B 1 22.600 7.725 0.388 1.00 0.00 H new ATOM 0 HG2 GLU B 1 22.307 10.581 1.363 1.00 0.00 H new ATOM 0 HG3 GLU B 1 20.957 9.470 1.239 1.00 0.00 H new ATOM 256 N ASP B 2 26.041 7.584 -0.408 1.00 0.00 N ATOM 257 CA ASP B 2 26.736 6.587 -1.213 1.00 0.00 C ATOM 258 C ASP B 2 26.448 5.191 -0.681 1.00 0.00 C ATOM 259 O ASP B 2 26.077 5.037 0.484 1.00 0.00 O ATOM 260 CB ASP B 2 28.246 6.837 -1.214 1.00 0.00 C ATOM 261 CG ASP B 2 28.906 6.471 0.101 1.00 0.00 C ATOM 262 OD1 ASP B 2 29.299 5.298 0.268 1.00 0.00 O ATOM 263 OD2 ASP B 2 29.040 7.353 0.975 1.00 0.00 O1- ATOM 0 H ASP B 2 26.514 7.831 0.461 1.00 0.00 H new ATOM 0 HA ASP B 2 26.372 6.667 -2.237 1.00 0.00 H new ATOM 0 HB2 ASP B 2 28.704 6.260 -2.017 1.00 0.00 H new ATOM 0 HB3 ASP B 2 28.435 7.889 -1.429 1.00 0.00 H new ATOM 268 N THR B 3 26.624 4.191 -1.545 1.00 0.00 N ATOM 269 CA THR B 3 26.407 2.782 -1.203 1.00 0.00 C ATOM 270 C THR B 3 25.114 2.561 -0.413 1.00 0.00 C ATOM 271 O THR B 3 25.082 1.816 0.568 1.00 0.00 O ATOM 272 CB THR B 3 27.612 2.178 -0.439 1.00 0.00 C ATOM 273 OG1 THR B 3 28.006 3.016 0.661 1.00 0.00 O ATOM 274 CG2 THR B 3 28.794 1.980 -1.376 1.00 0.00 C ATOM 0 H THR B 3 26.923 4.335 -2.509 1.00 0.00 H new ATOM 0 HA THR B 3 26.307 2.259 -2.154 1.00 0.00 H new ATOM 0 HB THR B 3 27.299 1.212 -0.044 1.00 0.00 H new ATOM 0 HG1 THR B 3 28.498 3.793 0.321 1.00 0.00 H new ATOM 0 HG21 THR B 3 29.631 1.555 -0.821 1.00 0.00 H new ATOM 0 HG22 THR B 3 28.511 1.302 -2.181 1.00 0.00 H new ATOM 0 HG23 THR B 3 29.089 2.941 -1.798 1.00 0.00 H new ATOM 282 N ALA B 4 24.044 3.207 -0.857 1.00 0.00 N ATOM 283 CA ALA B 4 22.753 3.077 -0.202 1.00 0.00 C ATOM 284 C ALA B 4 21.905 2.033 -0.914 1.00 0.00 C ATOM 285 O ALA B 4 21.734 2.085 -2.135 1.00 0.00 O ATOM 286 CB ALA B 4 22.035 4.417 -0.164 1.00 0.00 C ATOM 0 H ALA B 4 24.046 3.826 -1.668 1.00 0.00 H new ATOM 0 HA ALA B 4 22.915 2.750 0.825 1.00 0.00 H new ATOM 0 HB1 ALA B 4 21.071 4.299 0.330 1.00 0.00 H new ATOM 0 HB2 ALA B 4 22.639 5.138 0.387 1.00 0.00 H new ATOM 0 HB3 ALA B 4 21.880 4.776 -1.182 1.00 0.00 H new ATOM 292 N ASN B 5 21.385 1.085 -0.153 1.00 0.00 N ATOM 293 CA ASN B 5 20.590 0.007 -0.719 1.00 0.00 C ATOM 294 C ASN B 5 19.105 0.285 -0.519 1.00 0.00 C ATOM 295 O ASN B 5 18.687 0.647 0.579 1.00 0.00 O ATOM 296 CB ASN B 5 20.940 -1.330 -0.065 1.00 0.00 C ATOM 297 CG ASN B 5 22.398 -1.726 -0.227 1.00 0.00 C ATOM 298 OD1 ASN B 5 22.978 -2.350 0.660 1.00 0.00 O ATOM 299 ND2 ASN B 5 22.998 -1.391 -1.362 1.00 0.00 N ATOM 0 H ASN B 5 21.499 1.039 0.860 1.00 0.00 H new ATOM 0 HA ASN B 5 20.813 -0.048 -1.784 1.00 0.00 H new ATOM 0 HB2 ASN B 5 20.703 -1.278 0.998 1.00 0.00 H new ATOM 0 HB3 ASN B 5 20.311 -2.110 -0.494 1.00 0.00 H new ATOM 0 HD21 ASN B 5 23.971 -1.651 -1.520 1.00 0.00 H new ATOM 0 HD22 ASN B 5 22.486 -0.873 -2.076 1.00 0.00 H new ATOM 306 N PRO B 6 18.287 0.123 -1.570 1.00 0.00 N ATOM 307 CA PRO B 6 16.838 0.295 -1.482 1.00 0.00 C ATOM 308 C PRO B 6 16.177 -0.927 -0.855 1.00 0.00 C ATOM 309 O PRO B 6 15.655 -1.797 -1.556 1.00 0.00 O ATOM 310 CB PRO B 6 16.393 0.451 -2.947 1.00 0.00 C ATOM 311 CG PRO B 6 17.647 0.443 -3.763 1.00 0.00 C ATOM 312 CD PRO B 6 18.693 -0.236 -2.928 1.00 0.00 C ATOM 0 HA PRO B 6 16.559 1.144 -0.858 1.00 0.00 H new ATOM 0 HB2 PRO B 6 15.730 -0.363 -3.242 1.00 0.00 H new ATOM 0 HB3 PRO B 6 15.841 1.380 -3.090 1.00 0.00 H new ATOM 0 HG2 PRO B 6 17.495 -0.088 -4.703 1.00 0.00 H new ATOM 0 HG3 PRO B 6 17.952 1.458 -4.017 1.00 0.00 H new ATOM 0 HD2 PRO B 6 18.697 -1.315 -3.080 1.00 0.00 H new ATOM 0 HD3 PRO B 6 19.696 0.122 -3.161 1.00 0.00 H new ATOM 320 N ASN B 7 16.210 -0.990 0.467 1.00 0.00 N ATOM 321 CA ASN B 7 15.706 -2.152 1.191 1.00 0.00 C ATOM 322 C ASN B 7 14.187 -2.169 1.206 1.00 0.00 C ATOM 323 O ASN B 7 13.567 -3.228 1.277 1.00 0.00 O ATOM 324 CB ASN B 7 16.236 -2.165 2.625 1.00 0.00 C ATOM 325 CG ASN B 7 17.749 -2.202 2.686 1.00 0.00 C ATOM 326 OD1 ASN B 7 18.408 -2.731 1.789 1.00 0.00 O ATOM 327 ND2 ASN B 7 18.310 -1.648 3.747 1.00 0.00 N ATOM 0 H ASN B 7 16.581 -0.250 1.063 1.00 0.00 H new ATOM 0 HA ASN B 7 16.059 -3.043 0.673 1.00 0.00 H new ATOM 0 HB2 ASN B 7 15.876 -1.280 3.149 1.00 0.00 H new ATOM 0 HB3 ASN B 7 15.834 -3.032 3.149 1.00 0.00 H new ATOM 0 HD21 ASN B 7 19.325 -1.648 3.846 1.00 0.00 H new ATOM 0 HD22 ASN B 7 17.728 -1.220 4.467 1.00 0.00 H new ATOM 334 N GLU B 8 13.594 -0.994 1.135 1.00 0.00 N ATOM 335 CA GLU B 8 12.149 -0.869 1.144 1.00 0.00 C ATOM 336 C GLU B 8 11.678 -0.158 -0.118 1.00 0.00 C ATOM 337 O GLU B 8 12.462 0.079 -1.041 1.00 0.00 O ATOM 338 CB GLU B 8 11.683 -0.115 2.392 1.00 0.00 C ATOM 339 CG GLU B 8 12.051 1.357 2.397 1.00 0.00 C ATOM 340 CD GLU B 8 13.536 1.600 2.568 1.00 0.00 C ATOM 341 OE1 GLU B 8 14.256 1.647 1.549 1.00 0.00 O ATOM 342 OE2 GLU B 8 13.995 1.740 3.722 1.00 0.00 O1- ATOM 0 H GLU B 8 14.093 -0.107 1.070 1.00 0.00 H new ATOM 0 HA GLU B 8 11.712 -1.867 1.166 1.00 0.00 H new ATOM 0 HB2 GLU B 8 10.600 -0.209 2.477 1.00 0.00 H new ATOM 0 HB3 GLU B 8 12.115 -0.590 3.273 1.00 0.00 H new ATOM 0 HG2 GLU B 8 11.720 1.811 1.463 1.00 0.00 H new ATOM 0 HG3 GLU B 8 11.512 1.857 3.202 1.00 0.00 H new ATOM 349 N MET B 9 10.401 0.172 -0.160 1.00 0.00 N ATOM 350 CA MET B 9 9.829 0.871 -1.296 1.00 0.00 C ATOM 351 C MET B 9 9.491 2.298 -0.903 1.00 0.00 C ATOM 352 O MET B 9 8.999 2.544 0.195 1.00 0.00 O ATOM 353 CB MET B 9 8.586 0.132 -1.806 1.00 0.00 C ATOM 354 CG MET B 9 7.608 -0.260 -0.712 1.00 0.00 C ATOM 355 SD MET B 9 6.264 -1.305 -1.321 1.00 0.00 S ATOM 356 CE MET B 9 7.139 -2.824 -1.685 1.00 0.00 C ATOM 0 H MET B 9 9.736 -0.034 0.585 1.00 0.00 H new ATOM 0 HA MET B 9 10.559 0.898 -2.105 1.00 0.00 H new ATOM 0 HB2 MET B 9 8.071 0.764 -2.530 1.00 0.00 H new ATOM 0 HB3 MET B 9 8.902 -0.767 -2.336 1.00 0.00 H new ATOM 0 HG2 MET B 9 8.144 -0.787 0.077 1.00 0.00 H new ATOM 0 HG3 MET B 9 7.188 0.641 -0.265 1.00 0.00 H new ATOM 0 HE1 MET B 9 6.426 -3.645 -1.759 1.00 0.00 H new ATOM 0 HE2 MET B 9 7.672 -2.719 -2.630 1.00 0.00 H new ATOM 0 HE3 MET B 9 7.852 -3.033 -0.888 1.00 0.00 H new ATOM 366 N THR B 10 9.782 3.238 -1.789 1.00 0.00 N ATOM 367 CA THR B 10 9.559 4.647 -1.510 1.00 0.00 C ATOM 368 C THR B 10 8.072 4.961 -1.428 1.00 0.00 C ATOM 369 O THR B 10 7.255 4.161 -1.879 1.00 0.00 O ATOM 370 CB THR B 10 10.204 5.538 -2.583 1.00 0.00 C ATOM 371 OG1 THR B 10 9.722 5.159 -3.878 1.00 0.00 O ATOM 372 CG2 THR B 10 11.719 5.422 -2.544 1.00 0.00 C ATOM 0 H THR B 10 10.175 3.049 -2.711 1.00 0.00 H new ATOM 0 HA THR B 10 10.024 4.858 -0.547 1.00 0.00 H new ATOM 0 HB THR B 10 9.933 6.574 -2.381 1.00 0.00 H new ATOM 0 HG1 THR B 10 10.133 5.730 -4.560 1.00 0.00 H new ATOM 0 HG21 THR B 10 12.153 6.062 -3.313 1.00 0.00 H new ATOM 0 HG22 THR B 10 12.083 5.734 -1.565 1.00 0.00 H new ATOM 0 HG23 THR B 10 12.010 4.387 -2.727 1.00 0.00 H new ATOM 380 N LYS B 11 7.721 6.114 -0.874 1.00 0.00 N ATOM 381 CA LYS B 11 6.316 6.481 -0.705 1.00 0.00 C ATOM 382 C LYS B 11 5.549 6.397 -2.026 1.00 0.00 C ATOM 383 O LYS B 11 4.387 5.993 -2.058 1.00 0.00 O ATOM 384 CB LYS B 11 6.201 7.889 -0.109 1.00 0.00 C ATOM 385 CG LYS B 11 6.816 8.984 -0.973 1.00 0.00 C ATOM 386 CD LYS B 11 6.822 10.332 -0.264 1.00 0.00 C ATOM 387 CE LYS B 11 5.425 10.759 0.156 1.00 0.00 C ATOM 388 NZ LYS B 11 5.422 12.100 0.794 1.00 0.00 N1+ ATOM 0 H LYS B 11 8.384 6.810 -0.534 1.00 0.00 H new ATOM 0 HA LYS B 11 5.867 5.766 -0.016 1.00 0.00 H new ATOM 0 HB2 LYS B 11 5.148 8.118 0.053 1.00 0.00 H new ATOM 0 HB3 LYS B 11 6.684 7.898 0.868 1.00 0.00 H new ATOM 0 HG2 LYS B 11 7.837 8.708 -1.236 1.00 0.00 H new ATOM 0 HG3 LYS B 11 6.258 9.067 -1.905 1.00 0.00 H new ATOM 0 HD2 LYS B 11 7.464 10.277 0.615 1.00 0.00 H new ATOM 0 HD3 LYS B 11 7.249 11.087 -0.924 1.00 0.00 H new ATOM 0 HE2 LYS B 11 4.772 10.771 -0.717 1.00 0.00 H new ATOM 0 HE3 LYS B 11 5.015 10.026 0.851 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 4.456 12.485 0.788 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 5.756 12.018 1.775 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 6.052 12.737 0.266 1.00 0.00 H new ATOM 402 N ASP B 12 6.222 6.739 -3.117 1.00 0.00 N ATOM 403 CA ASP B 12 5.582 6.783 -4.423 1.00 0.00 C ATOM 404 C ASP B 12 5.480 5.383 -5.024 1.00 0.00 C ATOM 405 O ASP B 12 4.433 4.993 -5.546 1.00 0.00 O ATOM 406 CB ASP B 12 6.375 7.701 -5.355 1.00 0.00 C ATOM 407 CG ASP B 12 5.605 8.076 -6.605 1.00 0.00 C ATOM 408 OD1 ASP B 12 4.908 9.112 -6.586 1.00 0.00 O ATOM 409 OD2 ASP B 12 5.700 7.346 -7.615 1.00 0.00 O1- ATOM 0 H ASP B 12 7.211 6.990 -3.122 1.00 0.00 H new ATOM 0 HA ASP B 12 4.572 7.176 -4.304 1.00 0.00 H new ATOM 0 HB2 ASP B 12 6.649 8.608 -4.817 1.00 0.00 H new ATOM 0 HB3 ASP B 12 7.304 7.207 -5.640 1.00 0.00 H new ATOM 414 N ALA B 13 6.566 4.620 -4.929 1.00 0.00 N ATOM 415 CA ALA B 13 6.614 3.278 -5.496 1.00 0.00 C ATOM 416 C ALA B 13 5.769 2.306 -4.681 1.00 0.00 C ATOM 417 O ALA B 13 5.187 1.366 -5.227 1.00 0.00 O ATOM 418 CB ALA B 13 8.048 2.789 -5.577 1.00 0.00 C ATOM 0 H ALA B 13 7.426 4.910 -4.463 1.00 0.00 H new ATOM 0 HA ALA B 13 6.200 3.324 -6.503 1.00 0.00 H new ATOM 0 HB1 ALA B 13 8.067 1.786 -6.002 1.00 0.00 H new ATOM 0 HB2 ALA B 13 8.627 3.462 -6.209 1.00 0.00 H new ATOM 0 HB3 ALA B 13 8.482 2.767 -4.577 1.00 0.00 H new ATOM 424 N TRP B 14 5.710 2.536 -3.375 1.00 0.00 N ATOM 425 CA TRP B 14 4.880 1.734 -2.488 1.00 0.00 C ATOM 426 C TRP B 14 3.436 1.778 -2.952 1.00 0.00 C ATOM 427 O TRP B 14 2.805 0.743 -3.134 1.00 0.00 O ATOM 428 CB TRP B 14 4.995 2.254 -1.054 1.00 0.00 C ATOM 429 CG TRP B 14 4.084 1.574 -0.072 1.00 0.00 C ATOM 430 CD1 TRP B 14 4.244 0.333 0.471 1.00 0.00 C ATOM 431 CD2 TRP B 14 2.879 2.105 0.497 1.00 0.00 C ATOM 432 NE1 TRP B 14 3.216 0.057 1.336 1.00 0.00 N ATOM 433 CE2 TRP B 14 2.368 1.128 1.373 1.00 0.00 C ATOM 434 CE3 TRP B 14 2.181 3.307 0.353 1.00 0.00 C ATOM 435 CZ2 TRP B 14 1.199 1.318 2.103 1.00 0.00 C ATOM 436 CZ3 TRP B 14 1.020 3.493 1.080 1.00 0.00 C ATOM 437 CH2 TRP B 14 0.540 2.502 1.944 1.00 0.00 C ATOM 0 H TRP B 14 6.231 3.277 -2.905 1.00 0.00 H new ATOM 0 HA TRP B 14 5.224 0.700 -2.513 1.00 0.00 H new ATOM 0 HB2 TRP B 14 6.025 2.134 -0.719 1.00 0.00 H new ATOM 0 HB3 TRP B 14 4.781 3.323 -1.050 1.00 0.00 H new ATOM 0 HD1 TRP B 14 5.063 -0.336 0.251 1.00 0.00 H new ATOM 0 HE1 TRP B 14 3.103 -0.807 1.866 1.00 0.00 H new ATOM 0 HE3 TRP B 14 2.542 4.076 -0.314 1.00 0.00 H new ATOM 0 HZ2 TRP B 14 0.827 0.556 2.771 1.00 0.00 H new ATOM 0 HZ3 TRP B 14 0.474 4.419 0.980 1.00 0.00 H new ATOM 0 HH2 TRP B 14 -0.371 2.678 2.496 1.00 0.00 H new ATOM 448 N LEU B 15 2.940 2.987 -3.177 1.00 0.00 N ATOM 449 CA LEU B 15 1.576 3.189 -3.644 1.00 0.00 C ATOM 450 C LEU B 15 1.315 2.423 -4.936 1.00 0.00 C ATOM 451 O LEU B 15 0.264 1.809 -5.095 1.00 0.00 O ATOM 452 CB LEU B 15 1.318 4.674 -3.879 1.00 0.00 C ATOM 453 CG LEU B 15 1.311 5.547 -2.629 1.00 0.00 C ATOM 454 CD1 LEU B 15 1.314 7.013 -3.015 1.00 0.00 C ATOM 455 CD2 LEU B 15 0.100 5.226 -1.766 1.00 0.00 C ATOM 0 H LEU B 15 3.468 3.849 -3.042 1.00 0.00 H new ATOM 0 HA LEU B 15 0.902 2.813 -2.874 1.00 0.00 H new ATOM 0 HB2 LEU B 15 2.079 5.053 -4.561 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.357 4.782 -4.382 1.00 0.00 H new ATOM 0 HG LEU B 15 2.211 5.338 -2.051 1.00 0.00 H new ATOM 0 HD11 LEU B 15 1.309 7.626 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.207 7.234 -3.599 1.00 0.00 H new ATOM 0 HD13 LEU B 15 0.428 7.234 -3.610 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.109 5.857 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.811 5.412 -2.334 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.134 4.178 -1.467 1.00 0.00 H new ATOM 467 N ASN B 16 2.286 2.447 -5.843 1.00 0.00 N ATOM 468 CA ASN B 16 2.145 1.798 -7.146 1.00 0.00 C ATOM 469 C ASN B 16 1.882 0.301 -6.994 1.00 0.00 C ATOM 470 O ASN B 16 1.101 -0.285 -7.744 1.00 0.00 O ATOM 471 CB ASN B 16 3.407 2.020 -7.984 1.00 0.00 C ATOM 472 CG ASN B 16 3.292 1.473 -9.400 1.00 0.00 C ATOM 473 OD1 ASN B 16 4.261 0.954 -9.956 1.00 0.00 O ATOM 474 ND2 ASN B 16 2.123 1.614 -10.008 1.00 0.00 N ATOM 0 H ASN B 16 3.183 2.910 -5.701 1.00 0.00 H new ATOM 0 HA ASN B 16 1.290 2.245 -7.652 1.00 0.00 H new ATOM 0 HB2 ASN B 16 3.621 3.088 -8.030 1.00 0.00 H new ATOM 0 HB3 ASN B 16 4.253 1.547 -7.486 1.00 0.00 H new ATOM 0 HD21 ASN B 16 2.004 1.288 -10.967 1.00 0.00 H new ATOM 0 HD22 ASN B 16 1.342 2.049 -9.517 1.00 0.00 H new ATOM 481 N SER B 17 2.529 -0.310 -6.015 1.00 0.00 N ATOM 482 CA SER B 17 2.380 -1.737 -5.780 1.00 0.00 C ATOM 483 C SER B 17 1.241 -2.015 -4.798 1.00 0.00 C ATOM 484 O SER B 17 0.609 -3.067 -4.850 1.00 0.00 O ATOM 485 CB SER B 17 3.696 -2.315 -5.242 1.00 0.00 C ATOM 486 OG SER B 17 3.637 -3.729 -5.120 1.00 0.00 O ATOM 0 H SER B 17 3.163 0.161 -5.369 1.00 0.00 H new ATOM 0 HA SER B 17 2.135 -2.219 -6.726 1.00 0.00 H new ATOM 0 HB2 SER B 17 4.514 -2.041 -5.909 1.00 0.00 H new ATOM 0 HB3 SER B 17 3.916 -1.875 -4.270 1.00 0.00 H new ATOM 0 HG SER B 17 4.492 -4.064 -4.776 1.00 0.00 H new ATOM 492 N MET B 18 0.976 -1.059 -3.919 1.00 0.00 N ATOM 493 CA MET B 18 0.041 -1.259 -2.815 1.00 0.00 C ATOM 494 C MET B 18 -1.404 -0.974 -3.214 1.00 0.00 C ATOM 495 O MET B 18 -2.317 -1.666 -2.766 1.00 0.00 O ATOM 496 CB MET B 18 0.427 -0.362 -1.640 1.00 0.00 C ATOM 497 CG MET B 18 -0.421 -0.576 -0.400 1.00 0.00 C ATOM 498 SD MET B 18 -0.158 -2.197 0.348 1.00 0.00 S ATOM 499 CE MET B 18 -1.303 -2.126 1.724 1.00 0.00 C ATOM 0 H MET B 18 1.397 -0.130 -3.948 1.00 0.00 H new ATOM 0 HA MET B 18 0.103 -2.309 -2.529 1.00 0.00 H new ATOM 0 HB2 MET B 18 1.473 -0.539 -1.388 1.00 0.00 H new ATOM 0 HB3 MET B 18 0.346 0.680 -1.949 1.00 0.00 H new ATOM 0 HG2 MET B 18 -0.191 0.199 0.331 1.00 0.00 H new ATOM 0 HG3 MET B 18 -1.474 -0.467 -0.661 1.00 0.00 H new ATOM 0 HE1 MET B 18 -1.097 -2.946 2.411 1.00 0.00 H new ATOM 0 HE2 MET B 18 -1.186 -1.177 2.246 1.00 0.00 H new ATOM 0 HE3 MET B 18 -2.324 -2.212 1.352 1.00 0.00 H new ATOM 509 N THR B 19 -1.612 0.038 -4.053 1.00 0.00 N ATOM 510 CA THR B 19 -2.964 0.472 -4.408 1.00 0.00 C ATOM 511 C THR B 19 -3.857 -0.664 -4.925 1.00 0.00 C ATOM 512 O THR B 19 -4.988 -0.800 -4.464 1.00 0.00 O ATOM 513 CB THR B 19 -2.964 1.629 -5.431 1.00 0.00 C ATOM 514 OG1 THR B 19 -1.960 1.428 -6.433 1.00 0.00 O ATOM 515 CG2 THR B 19 -2.737 2.962 -4.735 1.00 0.00 C ATOM 0 H THR B 19 -0.866 0.572 -4.499 1.00 0.00 H new ATOM 0 HA THR B 19 -3.388 0.829 -3.469 1.00 0.00 H new ATOM 0 HB THR B 19 -3.941 1.644 -5.914 1.00 0.00 H new ATOM 0 HG1 THR B 19 -1.114 1.819 -6.131 1.00 0.00 H new ATOM 0 HG21 THR B 19 -2.741 3.763 -5.474 1.00 0.00 H new ATOM 0 HG22 THR B 19 -3.532 3.134 -4.009 1.00 0.00 H new ATOM 0 HG23 THR B 19 -1.775 2.946 -4.222 1.00 0.00 H new ATOM 523 N PRO B 20 -3.392 -1.506 -5.868 1.00 0.00 N ATOM 524 CA PRO B 20 -4.229 -2.566 -6.425 1.00 0.00 C ATOM 525 C PRO B 20 -4.305 -3.794 -5.522 1.00 0.00 C ATOM 526 O PRO B 20 -5.017 -4.756 -5.820 1.00 0.00 O ATOM 527 CB PRO B 20 -3.533 -2.877 -7.738 1.00 0.00 C ATOM 528 CG PRO B 20 -2.091 -2.651 -7.449 1.00 0.00 C ATOM 529 CD PRO B 20 -2.044 -1.504 -6.480 1.00 0.00 C ATOM 0 HA PRO B 20 -5.270 -2.265 -6.540 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -3.720 -3.903 -8.054 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -3.885 -2.227 -8.539 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -1.633 -3.543 -7.022 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -1.541 -2.416 -8.360 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -1.264 -1.644 -5.731 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -1.835 -0.561 -6.985 1.00 0.00 H new ATOM 537 N LEU B 21 -3.578 -3.752 -4.413 1.00 0.00 N ATOM 538 CA LEU B 21 -3.658 -4.802 -3.407 1.00 0.00 C ATOM 539 C LEU B 21 -4.759 -4.471 -2.411 1.00 0.00 C ATOM 540 O LEU B 21 -5.291 -5.349 -1.734 1.00 0.00 O ATOM 541 CB LEU B 21 -2.323 -4.952 -2.672 1.00 0.00 C ATOM 542 CG LEU B 21 -1.148 -5.407 -3.536 1.00 0.00 C ATOM 543 CD1 LEU B 21 0.127 -5.461 -2.709 1.00 0.00 C ATOM 544 CD2 LEU B 21 -1.440 -6.765 -4.159 1.00 0.00 C ATOM 0 H LEU B 21 -2.926 -3.001 -4.188 1.00 0.00 H new ATOM 0 HA LEU B 21 -3.886 -5.745 -3.905 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -2.068 -3.995 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -2.453 -5.667 -1.859 1.00 0.00 H new ATOM 0 HG LEU B 21 -1.007 -4.684 -4.340 1.00 0.00 H new ATOM 0 HD11 LEU B 21 0.955 -5.787 -3.338 1.00 0.00 H new ATOM 0 HD12 LEU B 21 0.343 -4.471 -2.309 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -0.002 -6.164 -1.887 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -0.593 -7.074 -4.771 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -1.605 -7.499 -3.370 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -2.332 -6.695 -4.782 1.00 0.00 H new ATOM 556 N LEU B 22 -5.109 -3.193 -2.351 1.00 0.00 N ATOM 557 CA LEU B 22 -6.125 -2.717 -1.427 1.00 0.00 C ATOM 558 C LEU B 22 -7.507 -3.310 -1.734 1.00 0.00 C ATOM 559 O LEU B 22 -8.169 -3.786 -0.820 1.00 0.00 O ATOM 560 CB LEU B 22 -6.164 -1.186 -1.421 1.00 0.00 C ATOM 561 CG LEU B 22 -4.892 -0.515 -0.896 1.00 0.00 C ATOM 562 CD1 LEU B 22 -4.939 0.984 -1.130 1.00 0.00 C ATOM 563 CD2 LEU B 22 -4.707 -0.813 0.587 1.00 0.00 C ATOM 0 H LEU B 22 -4.700 -2.465 -2.936 1.00 0.00 H new ATOM 0 HA LEU B 22 -5.853 -3.060 -0.429 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -6.350 -0.837 -2.437 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.008 -0.860 -0.813 1.00 0.00 H new ATOM 0 HG LEU B 22 -4.041 -0.921 -1.443 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.025 1.441 -0.749 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -5.026 1.183 -2.198 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -5.799 1.407 -0.611 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -3.798 -0.329 0.945 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -5.564 -0.434 1.144 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -4.626 -1.890 0.734 1.00 0.00 H new ATOM 575 N PRO B 23 -7.966 -3.315 -3.012 1.00 0.00 N ATOM 576 CA PRO B 23 -9.260 -3.907 -3.382 1.00 0.00 C ATOM 577 C PRO B 23 -9.427 -5.328 -2.861 1.00 0.00 C ATOM 578 O PRO B 23 -10.522 -5.736 -2.468 1.00 0.00 O ATOM 579 CB PRO B 23 -9.225 -3.911 -4.908 1.00 0.00 C ATOM 580 CG PRO B 23 -8.326 -2.791 -5.265 1.00 0.00 C ATOM 581 CD PRO B 23 -7.287 -2.742 -4.189 1.00 0.00 C ATOM 0 HA PRO B 23 -10.093 -3.347 -2.956 1.00 0.00 H new ATOM 0 HB2 PRO B 23 -8.849 -4.859 -5.293 1.00 0.00 H new ATOM 0 HB3 PRO B 23 -10.221 -3.769 -5.328 1.00 0.00 H new ATOM 0 HG2 PRO B 23 -7.870 -2.952 -6.242 1.00 0.00 H new ATOM 0 HG3 PRO B 23 -8.875 -1.851 -5.321 1.00 0.00 H new ATOM 0 HD2 PRO B 23 -6.403 -3.320 -4.461 1.00 0.00 H new ATOM 0 HD3 PRO B 23 -6.955 -1.721 -4.001 1.00 0.00 H new ATOM 589 N ASP B 24 -8.324 -6.060 -2.850 1.00 0.00 N ATOM 590 CA ASP B 24 -8.314 -7.442 -2.403 1.00 0.00 C ATOM 591 C ASP B 24 -8.597 -7.519 -0.903 1.00 0.00 C ATOM 592 O ASP B 24 -9.310 -8.407 -0.434 1.00 0.00 O ATOM 593 CB ASP B 24 -6.952 -8.069 -2.728 1.00 0.00 C ATOM 594 CG ASP B 24 -6.904 -9.557 -2.460 1.00 0.00 C ATOM 595 OD1 ASP B 24 -6.379 -9.964 -1.402 1.00 0.00 O ATOM 596 OD2 ASP B 24 -7.390 -10.329 -3.313 1.00 0.00 O1- ATOM 0 H ASP B 24 -7.413 -5.713 -3.150 1.00 0.00 H new ATOM 0 HA ASP B 24 -9.096 -7.996 -2.922 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -6.716 -7.887 -3.776 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -6.181 -7.575 -2.137 1.00 0.00 H new ATOM 601 N LEU B 25 -8.068 -6.554 -0.165 1.00 0.00 N ATOM 602 CA LEU B 25 -8.202 -6.528 1.285 1.00 0.00 C ATOM 603 C LEU B 25 -9.510 -5.861 1.716 1.00 0.00 C ATOM 604 O LEU B 25 -10.173 -6.324 2.646 1.00 0.00 O ATOM 605 CB LEU B 25 -7.019 -5.778 1.902 1.00 0.00 C ATOM 606 CG LEU B 25 -5.634 -6.296 1.500 1.00 0.00 C ATOM 607 CD1 LEU B 25 -4.545 -5.416 2.094 1.00 0.00 C ATOM 608 CD2 LEU B 25 -5.453 -7.740 1.940 1.00 0.00 C ATOM 0 H LEU B 25 -7.538 -5.772 -0.550 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.213 -7.559 1.638 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.091 -4.727 1.623 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -7.106 -5.826 2.987 1.00 0.00 H new ATOM 0 HG LEU B 25 -5.555 -6.258 0.414 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -3.568 -5.798 1.799 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -4.662 -4.396 1.728 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -4.624 -5.423 3.181 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -4.463 -8.089 1.645 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -5.553 -7.805 3.023 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -6.213 -8.362 1.467 1.00 0.00 H new ATOM 620 N ILE B 26 -9.875 -4.775 1.034 1.00 0.00 N ATOM 621 CA ILE B 26 -11.047 -3.980 1.406 1.00 0.00 C ATOM 622 C ILE B 26 -12.322 -4.817 1.409 1.00 0.00 C ATOM 623 O ILE B 26 -13.055 -4.835 2.399 1.00 0.00 O ATOM 624 CB ILE B 26 -11.258 -2.776 0.457 1.00 0.00 C ATOM 625 CG1 ILE B 26 -10.027 -1.868 0.431 1.00 0.00 C ATOM 626 CG2 ILE B 26 -12.487 -1.979 0.875 1.00 0.00 C ATOM 627 CD1 ILE B 26 -9.693 -1.243 1.765 1.00 0.00 C ATOM 0 H ILE B 26 -9.374 -4.424 0.218 1.00 0.00 H new ATOM 0 HA ILE B 26 -10.847 -3.615 2.413 1.00 0.00 H new ATOM 0 HB ILE B 26 -11.413 -3.167 -0.549 1.00 0.00 H new ATOM 0 HG12 ILE B 26 -9.169 -2.447 0.088 1.00 0.00 H new ATOM 0 HG13 ILE B 26 -10.189 -1.075 -0.299 1.00 0.00 H new ATOM 0 HG21 ILE B 26 -12.621 -1.136 0.198 1.00 0.00 H new ATOM 0 HG22 ILE B 26 -13.367 -2.620 0.835 1.00 0.00 H new ATOM 0 HG23 ILE B 26 -12.353 -1.610 1.892 1.00 0.00 H new ATOM 0 HD11 ILE B 26 -8.808 -0.615 1.661 1.00 0.00 H new ATOM 0 HD12 ILE B 26 -10.532 -0.635 2.102 1.00 0.00 H new ATOM 0 HD13 ILE B 26 -9.497 -2.028 2.496 1.00 0.00 H new ATOM 639 N CYS B 27 -12.572 -5.519 0.306 1.00 0.00 N ATOM 640 CA CYS B 27 -13.821 -6.258 0.140 1.00 0.00 C ATOM 641 C CYS B 27 -13.976 -7.314 1.226 1.00 0.00 C ATOM 642 O CYS B 27 -15.083 -7.575 1.696 1.00 0.00 O ATOM 643 CB CYS B 27 -13.887 -6.918 -1.239 1.00 0.00 C ATOM 644 SG CYS B 27 -15.562 -7.458 -1.715 1.00 0.00 S ATOM 0 H CYS B 27 -11.929 -5.592 -0.483 1.00 0.00 H new ATOM 0 HA CYS B 27 -14.640 -5.544 0.226 1.00 0.00 H new ATOM 0 HB2 CYS B 27 -13.515 -6.216 -1.986 1.00 0.00 H new ATOM 0 HB3 CYS B 27 -13.220 -7.780 -1.252 1.00 0.00 H new ATOM 649 N LYS B 28 -12.855 -7.899 1.642 1.00 0.00 N ATOM 650 CA LYS B 28 -12.864 -8.925 2.674 1.00 0.00 C ATOM 651 C LYS B 28 -13.500 -8.408 3.957 1.00 0.00 C ATOM 652 O LYS B 28 -14.274 -9.113 4.594 1.00 0.00 O ATOM 653 CB LYS B 28 -11.445 -9.420 2.958 1.00 0.00 C ATOM 654 CG LYS B 28 -10.887 -10.339 1.885 1.00 0.00 C ATOM 655 CD LYS B 28 -11.677 -11.637 1.802 1.00 0.00 C ATOM 656 CE LYS B 28 -11.006 -12.646 0.885 1.00 0.00 C ATOM 657 NZ LYS B 28 -11.689 -13.967 0.920 1.00 0.00 N1+ ATOM 0 H LYS B 28 -11.929 -7.677 1.277 1.00 0.00 H new ATOM 0 HA LYS B 28 -13.461 -9.759 2.305 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -10.785 -8.559 3.064 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -11.439 -9.946 3.912 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -10.913 -9.833 0.920 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -9.842 -10.560 2.101 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -11.781 -12.064 2.799 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -12.683 -11.428 1.439 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -11.005 -12.264 -0.136 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.964 -12.768 1.180 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -11.201 -14.627 0.281 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -11.668 -14.343 1.889 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -12.677 -13.855 0.614 1.00 0.00 H new ATOM 671 N GLY B 29 -13.195 -7.166 4.310 1.00 0.00 N ATOM 672 CA GLY B 29 -13.730 -6.584 5.529 1.00 0.00 C ATOM 673 C GLY B 29 -15.245 -6.528 5.535 1.00 0.00 C ATOM 674 O GLY B 29 -15.879 -6.724 6.573 1.00 0.00 O ATOM 0 H GLY B 29 -12.585 -6.549 3.774 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -13.389 -7.166 6.385 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -13.333 -5.576 5.650 1.00 0.00 H new ATOM 678 N PHE B 30 -15.828 -6.290 4.365 1.00 0.00 N ATOM 679 CA PHE B 30 -17.275 -6.181 4.242 1.00 0.00 C ATOM 680 C PHE B 30 -17.914 -7.561 4.131 1.00 0.00 C ATOM 681 O PHE B 30 -19.129 -7.703 4.222 1.00 0.00 O ATOM 682 CB PHE B 30 -17.647 -5.322 3.029 1.00 0.00 C ATOM 683 CG PHE B 30 -17.159 -3.904 3.128 1.00 0.00 C ATOM 684 CD1 PHE B 30 -17.915 -2.948 3.780 1.00 0.00 C ATOM 685 CD2 PHE B 30 -15.943 -3.529 2.579 1.00 0.00 C ATOM 686 CE1 PHE B 30 -17.472 -1.643 3.884 1.00 0.00 C ATOM 687 CE2 PHE B 30 -15.496 -2.226 2.679 1.00 0.00 C ATOM 688 CZ PHE B 30 -16.261 -1.283 3.333 1.00 0.00 C ATOM 0 H PHE B 30 -15.320 -6.169 3.489 1.00 0.00 H new ATOM 0 HA PHE B 30 -17.657 -5.698 5.141 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -17.234 -5.778 2.130 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -18.731 -5.318 2.915 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -18.865 -3.225 4.214 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -15.339 -4.263 2.068 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -18.074 -0.907 4.396 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -14.548 -1.946 2.245 1.00 0.00 H new ATOM 0 HZ PHE B 30 -15.912 -0.264 3.413 1.00 0.00 H new ATOM 698 N ILE B 31 -17.088 -8.573 3.922 1.00 0.00 N ATOM 699 CA ILE B 31 -17.558 -9.946 3.875 1.00 0.00 C ATOM 700 C ILE B 31 -17.430 -10.599 5.246 1.00 0.00 C ATOM 701 O ILE B 31 -18.314 -11.339 5.686 1.00 0.00 O ATOM 702 CB ILE B 31 -16.760 -10.768 2.843 1.00 0.00 C ATOM 703 CG1 ILE B 31 -16.885 -10.132 1.460 1.00 0.00 C ATOM 704 CG2 ILE B 31 -17.242 -12.212 2.819 1.00 0.00 C ATOM 705 CD1 ILE B 31 -16.056 -10.819 0.400 1.00 0.00 C ATOM 0 H ILE B 31 -16.083 -8.467 3.782 1.00 0.00 H new ATOM 0 HA ILE B 31 -18.606 -9.928 3.577 1.00 0.00 H new ATOM 0 HB ILE B 31 -15.709 -10.769 3.132 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -17.932 -10.146 1.156 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -16.585 -9.086 1.522 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -16.667 -12.775 2.085 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -17.107 -12.657 3.805 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -18.298 -12.239 2.550 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -16.195 -10.313 -0.555 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -15.003 -10.782 0.681 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -16.371 -11.859 0.309 1.00 0.00 H new ATOM 717 N GLN B 32 -16.323 -10.309 5.915 1.00 0.00 N ATOM 718 CA GLN B 32 -16.022 -10.902 7.211 1.00 0.00 C ATOM 719 C GLN B 32 -16.995 -10.429 8.280 1.00 0.00 C ATOM 720 O GLN B 32 -17.436 -11.215 9.119 1.00 0.00 O ATOM 721 CB GLN B 32 -14.594 -10.560 7.625 1.00 0.00 C ATOM 722 CG GLN B 32 -13.540 -11.140 6.702 1.00 0.00 C ATOM 723 CD GLN B 32 -12.132 -10.806 7.144 1.00 0.00 C ATOM 724 OE1 GLN B 32 -11.570 -9.782 6.755 1.00 0.00 O ATOM 725 NE2 GLN B 32 -11.550 -11.669 7.959 1.00 0.00 N ATOM 0 H GLN B 32 -15.612 -9.660 5.578 1.00 0.00 H new ATOM 0 HA GLN B 32 -16.125 -11.983 7.114 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -14.483 -9.476 7.655 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -14.420 -10.926 8.637 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -13.656 -12.223 6.659 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -13.699 -10.762 5.692 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -12.051 -12.506 8.258 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -10.600 -11.498 8.289 1.00 0.00 H new ATOM 734 N ASP B 33 -17.336 -9.150 8.248 1.00 0.00 N ATOM 735 CA ASP B 33 -18.243 -8.591 9.241 1.00 0.00 C ATOM 736 C ASP B 33 -19.687 -8.748 8.778 1.00 0.00 C ATOM 737 O ASP B 33 -20.076 -8.200 7.750 1.00 0.00 O ATOM 738 CB ASP B 33 -17.943 -7.113 9.481 1.00 0.00 C ATOM 739 CG ASP B 33 -18.419 -6.650 10.843 1.00 0.00 C ATOM 740 OD1 ASP B 33 -19.639 -6.480 11.032 1.00 0.00 O ATOM 741 OD2 ASP B 33 -17.568 -6.452 11.736 1.00 0.00 O1- ATOM 0 H ASP B 33 -17.002 -8.483 7.552 1.00 0.00 H new ATOM 0 HA ASP B 33 -18.099 -9.134 10.175 1.00 0.00 H new ATOM 0 HB2 ASP B 33 -16.870 -6.942 9.395 1.00 0.00 H new ATOM 0 HB3 ASP B 33 -18.424 -6.515 8.707 1.00 0.00 H new ATOM 746 N PRO B 34 -20.494 -9.516 9.533 1.00 0.00 N ATOM 747 CA PRO B 34 -21.909 -9.759 9.211 1.00 0.00 C ATOM 748 C PRO B 34 -22.706 -8.468 9.069 1.00 0.00 C ATOM 749 O PRO B 34 -23.631 -8.382 8.258 1.00 0.00 O ATOM 750 CB PRO B 34 -22.422 -10.557 10.410 1.00 0.00 C ATOM 751 CG PRO B 34 -21.212 -11.178 11.012 1.00 0.00 C ATOM 752 CD PRO B 34 -20.079 -10.227 10.756 1.00 0.00 C ATOM 0 HA PRO B 34 -22.017 -10.274 8.256 1.00 0.00 H new ATOM 0 HB2 PRO B 34 -22.930 -9.910 11.125 1.00 0.00 H new ATOM 0 HB3 PRO B 34 -23.141 -11.315 10.100 1.00 0.00 H new ATOM 0 HG2 PRO B 34 -21.349 -11.340 12.081 1.00 0.00 H new ATOM 0 HG3 PRO B 34 -21.011 -12.152 10.565 1.00 0.00 H new ATOM 0 HD2 PRO B 34 -19.936 -9.540 11.590 1.00 0.00 H new ATOM 0 HD3 PRO B 34 -19.136 -10.755 10.613 1.00 0.00 H new ATOM 760 N ASP B 35 -22.339 -7.474 9.868 1.00 0.00 N ATOM 761 CA ASP B 35 -22.977 -6.156 9.831 1.00 0.00 C ATOM 762 C ASP B 35 -22.776 -5.504 8.477 1.00 0.00 C ATOM 763 O ASP B 35 -23.662 -4.850 7.930 1.00 0.00 O ATOM 764 CB ASP B 35 -22.361 -5.244 10.887 1.00 0.00 C ATOM 765 CG ASP B 35 -23.019 -3.882 10.935 1.00 0.00 C ATOM 766 OD1 ASP B 35 -22.323 -2.875 10.691 1.00 0.00 O ATOM 767 OD2 ASP B 35 -24.235 -3.815 11.208 1.00 0.00 O1- ATOM 0 H ASP B 35 -21.593 -7.554 10.559 1.00 0.00 H new ATOM 0 HA ASP B 35 -24.041 -6.296 10.023 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -22.444 -5.718 11.865 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -21.297 -5.123 10.681 1.00 0.00 H new ATOM 772 N LEU B 36 -21.581 -5.675 7.970 1.00 0.00 N ATOM 773 CA LEU B 36 -21.163 -5.083 6.727 1.00 0.00 C ATOM 774 C LEU B 36 -21.711 -5.899 5.567 1.00 0.00 C ATOM 775 O LEU B 36 -22.215 -5.356 4.582 1.00 0.00 O ATOM 776 CB LEU B 36 -19.643 -5.076 6.709 1.00 0.00 C ATOM 777 CG LEU B 36 -18.941 -4.138 7.707 1.00 0.00 C ATOM 778 CD1 LEU B 36 -18.662 -2.807 7.055 1.00 0.00 C ATOM 779 CD2 LEU B 36 -19.716 -3.899 8.988 1.00 0.00 C ATOM 0 H LEU B 36 -20.860 -6.240 8.418 1.00 0.00 H new ATOM 0 HA LEU B 36 -21.540 -4.065 6.631 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -19.296 -6.092 6.897 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -19.316 -4.808 5.704 1.00 0.00 H new ATOM 0 HG LEU B 36 -18.018 -4.646 7.985 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -18.165 -2.149 7.768 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -18.018 -2.954 6.188 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -19.601 -2.354 6.737 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -19.151 -3.228 9.635 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -20.680 -3.449 8.751 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -19.875 -4.848 9.500 1.00 0.00 H new ATOM 791 N LYS B 37 -21.632 -7.216 5.725 1.00 0.00 N ATOM 792 CA LYS B 37 -22.107 -8.162 4.726 1.00 0.00 C ATOM 793 C LYS B 37 -23.603 -8.000 4.493 1.00 0.00 C ATOM 794 O LYS B 37 -24.090 -8.187 3.380 1.00 0.00 O ATOM 795 CB LYS B 37 -21.793 -9.595 5.181 1.00 0.00 C ATOM 796 CG LYS B 37 -22.280 -10.682 4.230 1.00 0.00 C ATOM 797 CD LYS B 37 -21.531 -10.668 2.905 1.00 0.00 C ATOM 798 CE LYS B 37 -22.052 -11.753 1.974 1.00 0.00 C ATOM 799 NZ LYS B 37 -21.288 -11.828 0.699 1.00 0.00 N1+ ATOM 0 H LYS B 37 -21.235 -7.658 6.554 1.00 0.00 H new ATOM 0 HA LYS B 37 -21.595 -7.962 3.785 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -20.715 -9.695 5.305 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -22.243 -9.758 6.160 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -22.159 -11.657 4.703 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -23.346 -10.548 4.044 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -21.641 -9.693 2.431 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -20.466 -10.817 3.083 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -22.001 -12.717 2.481 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -23.102 -11.564 1.753 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -21.491 -12.731 0.225 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -21.569 -11.041 0.079 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -20.270 -11.764 0.900 1.00 0.00 H new ATOM 813 N LYS B 38 -24.329 -7.627 5.542 1.00 0.00 N ATOM 814 CA LYS B 38 -25.773 -7.497 5.444 1.00 0.00 C ATOM 815 C LYS B 38 -26.152 -6.310 4.561 1.00 0.00 C ATOM 816 O LYS B 38 -27.230 -6.285 3.983 1.00 0.00 O ATOM 817 CB LYS B 38 -26.403 -7.409 6.849 1.00 0.00 C ATOM 818 CG LYS B 38 -26.243 -6.083 7.584 1.00 0.00 C ATOM 819 CD LYS B 38 -27.299 -5.058 7.190 1.00 0.00 C ATOM 820 CE LYS B 38 -27.364 -3.909 8.187 1.00 0.00 C ATOM 821 NZ LYS B 38 -26.048 -3.236 8.367 1.00 0.00 N1+ ATOM 0 H LYS B 38 -23.943 -7.412 6.461 1.00 0.00 H new ATOM 0 HA LYS B 38 -26.177 -8.389 4.965 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -27.468 -7.623 6.759 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -25.970 -8.196 7.467 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -26.298 -6.259 8.658 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -25.253 -5.676 7.378 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -27.075 -4.667 6.197 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -28.273 -5.543 7.129 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -28.099 -3.179 7.848 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -27.710 -4.286 9.149 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -26.125 -2.518 9.116 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -25.332 -3.941 8.635 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -25.767 -2.778 7.476 1.00 0.00 H new ATOM 835 N ARG B 39 -25.254 -5.337 4.448 1.00 0.00 N ATOM 836 CA ARG B 39 -25.462 -4.208 3.546 1.00 0.00 C ATOM 837 C ARG B 39 -24.884 -4.543 2.177 1.00 0.00 C ATOM 838 O ARG B 39 -25.404 -4.132 1.139 1.00 0.00 O ATOM 839 CB ARG B 39 -24.798 -2.947 4.107 1.00 0.00 C ATOM 840 CG ARG B 39 -24.989 -1.706 3.244 1.00 0.00 C ATOM 841 CD ARG B 39 -26.456 -1.327 3.119 1.00 0.00 C ATOM 842 NE ARG B 39 -27.071 -1.083 4.424 1.00 0.00 N ATOM 843 CZ ARG B 39 -28.386 -1.072 4.635 1.00 0.00 C ATOM 844 NH1 ARG B 39 -29.227 -1.241 3.622 1.00 0.00 N1+ ATOM 845 NH2 ARG B 39 -28.862 -0.871 5.857 1.00 0.00 N ATOM 0 H ARG B 39 -24.377 -5.307 4.968 1.00 0.00 H new ATOM 0 HA ARG B 39 -26.531 -4.018 3.450 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -25.199 -2.750 5.101 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -23.731 -3.133 4.225 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -24.434 -0.873 3.676 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -24.574 -1.885 2.252 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -26.548 -0.433 2.502 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -26.995 -2.125 2.608 1.00 0.00 H new ATOM 0 HE ARG B 39 -26.456 -0.911 5.219 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -28.867 -1.380 2.678 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -30.233 -1.232 3.788 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -28.221 -0.725 6.636 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -29.869 -0.863 6.017 1.00 0.00 H new ATOM 859 N PHE B 40 -23.803 -5.307 2.207 1.00 0.00 N ATOM 860 CA PHE B 40 -23.132 -5.795 1.010 1.00 0.00 C ATOM 861 C PHE B 40 -24.102 -6.614 0.154 1.00 0.00 C ATOM 862 O PHE B 40 -24.089 -6.532 -1.078 1.00 0.00 O ATOM 863 CB PHE B 40 -21.939 -6.645 1.460 1.00 0.00 C ATOM 864 CG PHE B 40 -20.958 -7.006 0.386 1.00 0.00 C ATOM 865 CD1 PHE B 40 -20.793 -8.324 -0.003 1.00 0.00 C ATOM 866 CD2 PHE B 40 -20.181 -6.032 -0.215 1.00 0.00 C ATOM 867 CE1 PHE B 40 -19.871 -8.664 -0.972 1.00 0.00 C ATOM 868 CE2 PHE B 40 -19.261 -6.366 -1.187 1.00 0.00 C ATOM 869 CZ PHE B 40 -19.106 -7.684 -1.566 1.00 0.00 C ATOM 0 H PHE B 40 -23.360 -5.610 3.075 1.00 0.00 H new ATOM 0 HA PHE B 40 -22.784 -4.964 0.397 1.00 0.00 H new ATOM 0 HB2 PHE B 40 -21.408 -6.107 2.246 1.00 0.00 H new ATOM 0 HB3 PHE B 40 -22.319 -7.565 1.904 1.00 0.00 H new ATOM 0 HD1 PHE B 40 -21.393 -9.095 0.457 1.00 0.00 H new ATOM 0 HD2 PHE B 40 -20.296 -4.999 0.080 1.00 0.00 H new ATOM 0 HE1 PHE B 40 -19.749 -9.697 -1.264 1.00 0.00 H new ATOM 0 HE2 PHE B 40 -18.662 -5.596 -1.651 1.00 0.00 H new ATOM 0 HZ PHE B 40 -18.386 -7.947 -2.327 1.00 0.00 H new ATOM 879 N ASP B 41 -24.957 -7.380 0.822 1.00 0.00 N ATOM 880 CA ASP B 41 -25.949 -8.211 0.144 1.00 0.00 C ATOM 881 C ASP B 41 -27.133 -7.384 -0.353 1.00 0.00 C ATOM 882 O ASP B 41 -27.724 -7.698 -1.382 1.00 0.00 O ATOM 883 CB ASP B 41 -26.447 -9.320 1.074 1.00 0.00 C ATOM 884 CG ASP B 41 -27.592 -10.115 0.471 1.00 0.00 C ATOM 885 OD1 ASP B 41 -28.734 -9.981 0.957 1.00 0.00 O ATOM 886 OD2 ASP B 41 -27.361 -10.871 -0.498 1.00 0.00 O1- ATOM 0 H ASP B 41 -24.984 -7.444 1.840 1.00 0.00 H new ATOM 0 HA ASP B 41 -25.460 -8.658 -0.721 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -25.622 -9.995 1.304 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -26.771 -8.880 2.017 1.00 0.00 H new ATOM 891 N GLU B 42 -27.472 -6.321 0.371 1.00 0.00 N ATOM 892 CA GLU B 42 -28.593 -5.462 -0.011 1.00 0.00 C ATOM 893 C GLU B 42 -28.356 -4.824 -1.378 1.00 0.00 C ATOM 894 O GLU B 42 -29.295 -4.583 -2.137 1.00 0.00 O ATOM 895 CB GLU B 42 -28.817 -4.367 1.031 1.00 0.00 C ATOM 896 CG GLU B 42 -29.272 -4.890 2.384 1.00 0.00 C ATOM 897 CD GLU B 42 -30.611 -5.598 2.326 1.00 0.00 C ATOM 898 OE1 GLU B 42 -31.653 -4.916 2.441 1.00 0.00 O ATOM 899 OE2 GLU B 42 -30.630 -6.836 2.169 1.00 0.00 O1- ATOM 0 H GLU B 42 -26.990 -6.033 1.222 1.00 0.00 H new ATOM 0 HA GLU B 42 -29.482 -6.090 -0.066 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -27.891 -3.808 1.161 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -29.562 -3.667 0.654 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -28.521 -5.577 2.773 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -29.337 -4.058 3.086 1.00 0.00 H new ATOM 906 N ILE B 43 -27.096 -4.561 -1.685 1.00 0.00 N ATOM 907 CA ILE B 43 -26.731 -3.962 -2.960 1.00 0.00 C ATOM 908 C ILE B 43 -26.399 -5.057 -3.975 1.00 0.00 C ATOM 909 O ILE B 43 -26.156 -4.793 -5.155 1.00 0.00 O ATOM 910 CB ILE B 43 -25.524 -3.003 -2.794 1.00 0.00 C ATOM 911 CG1 ILE B 43 -25.739 -2.079 -1.591 1.00 0.00 C ATOM 912 CG2 ILE B 43 -25.300 -2.172 -4.051 1.00 0.00 C ATOM 913 CD1 ILE B 43 -26.991 -1.232 -1.685 1.00 0.00 C ATOM 0 H ILE B 43 -26.307 -4.753 -1.068 1.00 0.00 H new ATOM 0 HA ILE B 43 -27.579 -3.382 -3.324 1.00 0.00 H new ATOM 0 HB ILE B 43 -24.636 -3.613 -2.625 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -25.788 -2.683 -0.685 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -24.875 -1.423 -1.490 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -24.447 -1.510 -3.902 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -25.103 -2.834 -4.894 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -26.190 -1.577 -4.257 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -27.074 -0.605 -0.797 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -26.937 -0.600 -2.572 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -27.865 -1.880 -1.754 1.00 0.00 H new ATOM 925 N LYS B 44 -26.427 -6.300 -3.483 1.00 0.00 N ATOM 926 CA LYS B 44 -26.089 -7.481 -4.274 1.00 0.00 C ATOM 927 C LYS B 44 -24.727 -7.320 -4.926 1.00 0.00 C ATOM 928 O LYS B 44 -24.530 -7.642 -6.098 1.00 0.00 O ATOM 929 CB LYS B 44 -27.171 -7.776 -5.318 1.00 0.00 C ATOM 930 CG LYS B 44 -28.492 -8.228 -4.708 1.00 0.00 C ATOM 931 CD LYS B 44 -28.325 -9.511 -3.908 1.00 0.00 C ATOM 932 CE LYS B 44 -29.604 -9.897 -3.186 1.00 0.00 C ATOM 933 NZ LYS B 44 -29.400 -11.066 -2.290 1.00 0.00 N1+ ATOM 0 H LYS B 44 -26.686 -6.513 -2.520 1.00 0.00 H new ATOM 0 HA LYS B 44 -26.041 -8.336 -3.600 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -27.343 -6.881 -5.916 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -26.810 -8.548 -5.997 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -28.883 -7.443 -4.061 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -29.225 -8.384 -5.499 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -28.027 -10.319 -4.576 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -27.522 -9.385 -3.182 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -29.962 -9.049 -2.602 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -30.378 -10.130 -3.917 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -30.211 -11.154 -1.645 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -29.316 -11.931 -2.861 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -28.530 -10.931 -1.736 1.00 0.00 H new ATOM 947 N MET B 45 -23.789 -6.822 -4.142 1.00 0.00 N ATOM 948 CA MET B 45 -22.443 -6.587 -4.614 1.00 0.00 C ATOM 949 C MET B 45 -21.572 -7.793 -4.304 1.00 0.00 C ATOM 950 O MET B 45 -21.804 -8.494 -3.320 1.00 0.00 O ATOM 951 CB MET B 45 -21.887 -5.319 -3.966 1.00 0.00 C ATOM 952 CG MET B 45 -20.468 -4.981 -4.386 1.00 0.00 C ATOM 953 SD MET B 45 -20.036 -3.274 -4.022 1.00 0.00 S ATOM 954 CE MET B 45 -20.656 -3.127 -2.351 1.00 0.00 C ATOM 0 H MET B 45 -23.940 -6.571 -3.165 1.00 0.00 H new ATOM 0 HA MET B 45 -22.450 -6.444 -5.694 1.00 0.00 H new ATOM 0 HB2 MET B 45 -22.538 -4.481 -4.215 1.00 0.00 H new ATOM 0 HB3 MET B 45 -21.916 -5.434 -2.883 1.00 0.00 H new ATOM 0 HG2 MET B 45 -19.772 -5.646 -3.875 1.00 0.00 H new ATOM 0 HG3 MET B 45 -20.355 -5.162 -5.455 1.00 0.00 H new ATOM 0 HE1 MET B 45 -20.417 -2.138 -1.960 1.00 0.00 H new ATOM 0 HE2 MET B 45 -21.737 -3.266 -2.350 1.00 0.00 H new ATOM 0 HE3 MET B 45 -20.192 -3.887 -1.723 1.00 0.00 H new ATOM 964 N THR B 46 -20.596 -8.051 -5.156 1.00 0.00 N ATOM 965 CA THR B 46 -19.736 -9.204 -4.989 1.00 0.00 C ATOM 966 C THR B 46 -18.278 -8.797 -4.820 1.00 0.00 C ATOM 967 O THR B 46 -17.918 -7.643 -5.057 1.00 0.00 O ATOM 968 CB THR B 46 -19.859 -10.159 -6.189 1.00 0.00 C ATOM 969 OG1 THR B 46 -19.611 -9.444 -7.405 1.00 0.00 O ATOM 970 CG2 THR B 46 -21.239 -10.796 -6.239 1.00 0.00 C ATOM 0 H THR B 46 -20.381 -7.476 -5.970 1.00 0.00 H new ATOM 0 HA THR B 46 -20.063 -9.715 -4.084 1.00 0.00 H new ATOM 0 HB THR B 46 -19.119 -10.951 -6.074 1.00 0.00 H new ATOM 0 HG1 THR B 46 -19.689 -10.056 -8.166 1.00 0.00 H new ATOM 0 HG21 THR B 46 -21.299 -11.466 -7.096 1.00 0.00 H new ATOM 0 HG22 THR B 46 -21.412 -11.361 -5.323 1.00 0.00 H new ATOM 0 HG23 THR B 46 -21.996 -10.017 -6.333 1.00 0.00 H new ATOM 978 N TYR B 47 -17.451 -9.748 -4.416 1.00 0.00 N ATOM 979 CA TYR B 47 -16.017 -9.526 -4.250 1.00 0.00 C ATOM 980 C TYR B 47 -15.406 -9.018 -5.551 1.00 0.00 C ATOM 981 O TYR B 47 -14.668 -8.028 -5.568 1.00 0.00 O ATOM 982 CB TYR B 47 -15.364 -10.846 -3.833 1.00 0.00 C ATOM 983 CG TYR B 47 -13.902 -10.756 -3.464 1.00 0.00 C ATOM 984 CD1 TYR B 47 -12.907 -10.940 -4.418 1.00 0.00 C ATOM 985 CD2 TYR B 47 -13.518 -10.525 -2.153 1.00 0.00 C ATOM 986 CE1 TYR B 47 -11.571 -10.898 -4.067 1.00 0.00 C ATOM 987 CE2 TYR B 47 -12.189 -10.474 -1.798 1.00 0.00 C ATOM 988 CZ TYR B 47 -11.220 -10.663 -2.754 1.00 0.00 C ATOM 989 OH TYR B 47 -9.894 -10.636 -2.389 1.00 0.00 O ATOM 0 H TYR B 47 -17.752 -10.697 -4.193 1.00 0.00 H new ATOM 0 HA TYR B 47 -15.846 -8.772 -3.481 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -15.912 -11.250 -2.982 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -15.472 -11.560 -4.650 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -13.182 -11.118 -5.447 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -14.275 -10.382 -1.396 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -10.807 -11.048 -4.816 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -11.909 -10.286 -0.772 1.00 0.00 H new ATOM 0 HH TYR B 47 -9.339 -10.492 -3.184 1.00 0.00 H new ATOM 999 N GLU B 48 -15.752 -9.689 -6.643 1.00 0.00 N ATOM 1000 CA GLU B 48 -15.239 -9.340 -7.959 1.00 0.00 C ATOM 1001 C GLU B 48 -15.753 -7.971 -8.398 1.00 0.00 C ATOM 1002 O GLU B 48 -15.174 -7.327 -9.271 1.00 0.00 O ATOM 1003 CB GLU B 48 -15.646 -10.404 -8.976 1.00 0.00 C ATOM 1004 CG GLU B 48 -15.279 -11.816 -8.552 1.00 0.00 C ATOM 1005 CD GLU B 48 -15.776 -12.862 -9.523 1.00 0.00 C ATOM 1006 OE1 GLU B 48 -16.969 -13.225 -9.459 1.00 0.00 O ATOM 1007 OE2 GLU B 48 -14.977 -13.333 -10.356 1.00 0.00 O1- ATOM 0 H GLU B 48 -16.391 -10.484 -6.641 1.00 0.00 H new ATOM 0 HA GLU B 48 -14.151 -9.295 -7.903 1.00 0.00 H new ATOM 0 HB2 GLU B 48 -16.723 -10.349 -9.137 1.00 0.00 H new ATOM 0 HB3 GLU B 48 -15.169 -10.184 -9.931 1.00 0.00 H new ATOM 0 HG2 GLU B 48 -14.196 -11.894 -8.462 1.00 0.00 H new ATOM 0 HG3 GLU B 48 -15.696 -12.015 -7.565 1.00 0.00 H new ATOM 1014 N GLN B 49 -16.845 -7.531 -7.790 1.00 0.00 N ATOM 1015 CA GLN B 49 -17.399 -6.218 -8.074 1.00 0.00 C ATOM 1016 C GLN B 49 -16.597 -5.145 -7.340 1.00 0.00 C ATOM 1017 O GLN B 49 -16.283 -4.099 -7.900 1.00 0.00 O ATOM 1018 CB GLN B 49 -18.869 -6.162 -7.651 1.00 0.00 C ATOM 1019 CG GLN B 49 -19.589 -4.894 -8.079 1.00 0.00 C ATOM 1020 CD GLN B 49 -19.721 -4.785 -9.583 1.00 0.00 C ATOM 1021 OE1 GLN B 49 -18.857 -4.227 -10.256 1.00 0.00 O ATOM 1022 NE2 GLN B 49 -20.807 -5.317 -10.120 1.00 0.00 N ATOM 0 H GLN B 49 -17.365 -8.067 -7.095 1.00 0.00 H new ATOM 0 HA GLN B 49 -17.338 -6.033 -9.146 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -19.390 -7.022 -8.071 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -18.928 -6.252 -6.566 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -20.581 -4.873 -7.627 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -19.048 -4.027 -7.701 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -21.500 -5.771 -9.525 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -20.951 -5.273 -11.129 1.00 0.00 H new ATOM 1031 N CYS B 50 -16.253 -5.427 -6.087 1.00 0.00 N ATOM 1032 CA CYS B 50 -15.502 -4.490 -5.253 1.00 0.00 C ATOM 1033 C CYS B 50 -14.207 -4.054 -5.924 1.00 0.00 C ATOM 1034 O CYS B 50 -13.860 -2.873 -5.913 1.00 0.00 O ATOM 1035 CB CYS B 50 -15.149 -5.124 -3.910 1.00 0.00 C ATOM 1036 SG CYS B 50 -16.560 -5.811 -2.987 1.00 0.00 S ATOM 0 H CYS B 50 -16.484 -6.305 -5.622 1.00 0.00 H new ATOM 0 HA CYS B 50 -16.143 -3.621 -5.105 1.00 0.00 H new ATOM 0 HB2 CYS B 50 -14.424 -5.920 -4.081 1.00 0.00 H new ATOM 0 HB3 CYS B 50 -14.659 -4.374 -3.289 1.00 0.00 H new ATOM 1041 N VAL B 51 -13.495 -5.003 -6.515 1.00 0.00 N ATOM 1042 CA VAL B 51 -12.161 -4.733 -7.036 1.00 0.00 C ATOM 1043 C VAL B 51 -12.163 -3.797 -8.244 1.00 0.00 C ATOM 1044 O VAL B 51 -11.109 -3.312 -8.643 1.00 0.00 O ATOM 1045 CB VAL B 51 -11.391 -6.022 -7.381 1.00 0.00 C ATOM 1046 CG1 VAL B 51 -11.063 -6.792 -6.112 1.00 0.00 C ATOM 1047 CG2 VAL B 51 -12.176 -6.885 -8.354 1.00 0.00 C ATOM 0 H VAL B 51 -13.816 -5.962 -6.646 1.00 0.00 H new ATOM 0 HA VAL B 51 -11.644 -4.225 -6.222 1.00 0.00 H new ATOM 0 HB VAL B 51 -10.457 -5.744 -7.869 1.00 0.00 H new ATOM 0 HG11 VAL B 51 -10.519 -7.701 -6.368 1.00 0.00 H new ATOM 0 HG12 VAL B 51 -10.448 -6.173 -5.459 1.00 0.00 H new ATOM 0 HG13 VAL B 51 -11.987 -7.055 -5.597 1.00 0.00 H new ATOM 0 HG21 VAL B 51 -11.608 -7.788 -8.579 1.00 0.00 H new ATOM 0 HG22 VAL B 51 -13.132 -7.159 -7.908 1.00 0.00 H new ATOM 0 HG23 VAL B 51 -12.352 -6.328 -9.274 1.00 0.00 H new ATOM 1057 N THR B 52 -13.322 -3.555 -8.839 1.00 0.00 N ATOM 1058 CA THR B 52 -13.414 -2.572 -9.910 1.00 0.00 C ATOM 1059 C THR B 52 -13.798 -1.201 -9.344 1.00 0.00 C ATOM 1060 O THR B 52 -13.702 -0.183 -10.027 1.00 0.00 O ATOM 1061 CB THR B 52 -14.413 -3.008 -11.011 1.00 0.00 C ATOM 1062 OG1 THR B 52 -14.146 -2.303 -12.232 1.00 0.00 O ATOM 1063 CG2 THR B 52 -15.855 -2.755 -10.603 1.00 0.00 C ATOM 0 H THR B 52 -14.200 -4.018 -8.604 1.00 0.00 H new ATOM 0 HA THR B 52 -12.431 -2.499 -10.375 1.00 0.00 H new ATOM 0 HB THR B 52 -14.278 -4.080 -11.157 1.00 0.00 H new ATOM 0 HG1 THR B 52 -13.907 -1.375 -12.028 1.00 0.00 H new ATOM 0 HG21 THR B 52 -16.521 -3.075 -11.404 1.00 0.00 H new ATOM 0 HG22 THR B 52 -16.081 -3.317 -9.697 1.00 0.00 H new ATOM 0 HG23 THR B 52 -15.999 -1.691 -10.415 1.00 0.00 H new ATOM 1071 N LEU B 53 -14.222 -1.186 -8.083 1.00 0.00 N ATOM 1072 CA LEU B 53 -14.702 0.034 -7.445 1.00 0.00 C ATOM 1073 C LEU B 53 -13.620 0.643 -6.561 1.00 0.00 C ATOM 1074 O LEU B 53 -13.446 1.862 -6.516 1.00 0.00 O ATOM 1075 CB LEU B 53 -15.936 -0.270 -6.596 1.00 0.00 C ATOM 1076 CG LEU B 53 -17.004 -1.120 -7.282 1.00 0.00 C ATOM 1077 CD1 LEU B 53 -18.138 -1.432 -6.323 1.00 0.00 C ATOM 1078 CD2 LEU B 53 -17.536 -0.430 -8.526 1.00 0.00 C ATOM 0 H LEU B 53 -14.242 -2.010 -7.482 1.00 0.00 H new ATOM 0 HA LEU B 53 -14.962 0.747 -8.227 1.00 0.00 H new ATOM 0 HB2 LEU B 53 -15.616 -0.781 -5.688 1.00 0.00 H new ATOM 0 HB3 LEU B 53 -16.387 0.673 -6.289 1.00 0.00 H new ATOM 0 HG LEU B 53 -16.540 -2.058 -7.587 1.00 0.00 H new ATOM 0 HD11 LEU B 53 -18.888 -2.038 -6.831 1.00 0.00 H new ATOM 0 HD12 LEU B 53 -17.749 -1.980 -5.465 1.00 0.00 H new ATOM 0 HD13 LEU B 53 -18.593 -0.502 -5.983 1.00 0.00 H new ATOM 0 HD21 LEU B 53 -18.295 -1.058 -8.994 1.00 0.00 H new ATOM 0 HD22 LEU B 53 -17.977 0.528 -8.250 1.00 0.00 H new ATOM 0 HD23 LEU B 53 -16.719 -0.264 -9.228 1.00 0.00 H new ATOM 1090 N ILE B 54 -12.901 -0.226 -5.861 1.00 0.00 N ATOM 1091 CA ILE B 54 -11.861 0.189 -4.923 1.00 0.00 C ATOM 1092 C ILE B 54 -10.747 1.023 -5.581 1.00 0.00 C ATOM 1093 O ILE B 54 -10.298 1.999 -4.986 1.00 0.00 O ATOM 1094 CB ILE B 54 -11.241 -1.024 -4.194 1.00 0.00 C ATOM 1095 CG1 ILE B 54 -12.323 -1.805 -3.449 1.00 0.00 C ATOM 1096 CG2 ILE B 54 -10.161 -0.562 -3.224 1.00 0.00 C ATOM 1097 CD1 ILE B 54 -13.060 -0.979 -2.425 1.00 0.00 C ATOM 0 H ILE B 54 -13.021 -1.237 -5.926 1.00 0.00 H new ATOM 0 HA ILE B 54 -12.362 0.829 -4.197 1.00 0.00 H new ATOM 0 HB ILE B 54 -10.786 -1.680 -4.936 1.00 0.00 H new ATOM 0 HG12 ILE B 54 -13.039 -2.199 -4.171 1.00 0.00 H new ATOM 0 HG13 ILE B 54 -11.866 -2.662 -2.953 1.00 0.00 H new ATOM 0 HG21 ILE B 54 -9.733 -1.427 -2.717 1.00 0.00 H new ATOM 0 HG22 ILE B 54 -9.378 -0.039 -3.773 1.00 0.00 H new ATOM 0 HG23 ILE B 54 -10.598 0.111 -2.486 1.00 0.00 H new ATOM 0 HD11 ILE B 54 -13.813 -1.595 -1.934 1.00 0.00 H new ATOM 0 HD12 ILE B 54 -12.355 -0.607 -1.682 1.00 0.00 H new ATOM 0 HD13 ILE B 54 -13.545 -0.137 -2.918 1.00 0.00 H new ATOM 1109 N PRO B 55 -10.265 0.662 -6.794 1.00 0.00 N ATOM 1110 CA PRO B 55 -9.257 1.459 -7.520 1.00 0.00 C ATOM 1111 C PRO B 55 -9.629 2.937 -7.648 1.00 0.00 C ATOM 1112 O PRO B 55 -8.764 3.791 -7.834 1.00 0.00 O ATOM 1113 CB PRO B 55 -9.217 0.804 -8.899 1.00 0.00 C ATOM 1114 CG PRO B 55 -9.591 -0.608 -8.642 1.00 0.00 C ATOM 1115 CD PRO B 55 -10.610 -0.562 -7.537 1.00 0.00 C ATOM 0 HA PRO B 55 -8.302 1.462 -6.995 1.00 0.00 H new ATOM 0 HB2 PRO B 55 -9.914 1.282 -9.587 1.00 0.00 H new ATOM 0 HB3 PRO B 55 -8.226 0.878 -9.347 1.00 0.00 H new ATOM 0 HG2 PRO B 55 -10.004 -1.073 -9.537 1.00 0.00 H new ATOM 0 HG3 PRO B 55 -8.722 -1.197 -8.349 1.00 0.00 H new ATOM 0 HD2 PRO B 55 -11.626 -0.519 -7.931 1.00 0.00 H new ATOM 0 HD3 PRO B 55 -10.552 -1.446 -6.902 1.00 0.00 H new ATOM 1123 N GLU B 56 -10.913 3.239 -7.545 1.00 0.00 N ATOM 1124 CA GLU B 56 -11.371 4.616 -7.616 1.00 0.00 C ATOM 1125 C GLU B 56 -11.201 5.304 -6.265 1.00 0.00 C ATOM 1126 O GLU B 56 -11.042 6.522 -6.185 1.00 0.00 O ATOM 1127 CB GLU B 56 -12.834 4.666 -8.053 1.00 0.00 C ATOM 1128 CG GLU B 56 -13.069 4.108 -9.446 1.00 0.00 C ATOM 1129 CD GLU B 56 -12.251 4.828 -10.495 1.00 0.00 C ATOM 1130 OE1 GLU B 56 -12.506 6.026 -10.731 1.00 0.00 O ATOM 1131 OE2 GLU B 56 -11.354 4.202 -11.093 1.00 0.00 O1- ATOM 0 H GLU B 56 -11.654 2.551 -7.412 1.00 0.00 H new ATOM 0 HA GLU B 56 -10.767 5.144 -8.354 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -13.438 4.106 -7.339 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -13.180 5.699 -8.021 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -12.819 3.047 -9.458 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -14.127 4.189 -9.694 1.00 0.00 H new ATOM 1138 N SER B 57 -11.226 4.514 -5.206 1.00 0.00 N ATOM 1139 CA SER B 57 -11.076 5.032 -3.861 1.00 0.00 C ATOM 1140 C SER B 57 -9.603 5.051 -3.457 1.00 0.00 C ATOM 1141 O SER B 57 -9.177 5.901 -2.671 1.00 0.00 O ATOM 1142 CB SER B 57 -11.886 4.174 -2.897 1.00 0.00 C ATOM 1143 OG SER B 57 -13.213 4.003 -3.372 1.00 0.00 O ATOM 0 H SER B 57 -11.350 3.503 -5.255 1.00 0.00 H new ATOM 0 HA SER B 57 -11.447 6.056 -3.826 1.00 0.00 H new ATOM 0 HB2 SER B 57 -11.408 3.201 -2.779 1.00 0.00 H new ATOM 0 HB3 SER B 57 -11.904 4.642 -1.913 1.00 0.00 H new ATOM 0 HG SER B 57 -13.824 4.555 -2.841 1.00 0.00 H new ATOM 1149 N THR B 58 -8.828 4.119 -4.012 1.00 0.00 N ATOM 1150 CA THR B 58 -7.397 4.047 -3.739 1.00 0.00 C ATOM 1151 C THR B 58 -6.713 5.344 -4.145 1.00 0.00 C ATOM 1152 O THR B 58 -5.886 5.874 -3.410 1.00 0.00 O ATOM 1153 CB THR B 58 -6.727 2.870 -4.483 1.00 0.00 C ATOM 1154 OG1 THR B 58 -6.998 2.953 -5.883 1.00 0.00 O ATOM 1155 CG2 THR B 58 -7.219 1.532 -3.964 1.00 0.00 C ATOM 0 H THR B 58 -9.170 3.404 -4.654 1.00 0.00 H new ATOM 0 HA THR B 58 -7.285 3.886 -2.667 1.00 0.00 H new ATOM 0 HB THR B 58 -5.654 2.940 -4.306 1.00 0.00 H new ATOM 0 HG1 THR B 58 -6.478 2.271 -6.358 1.00 0.00 H new ATOM 0 HG21 THR B 58 -6.727 0.727 -4.510 1.00 0.00 H new ATOM 0 HG22 THR B 58 -6.987 1.446 -2.903 1.00 0.00 H new ATOM 0 HG23 THR B 58 -8.297 1.461 -4.106 1.00 0.00 H new ATOM 1163 N LYS B 59 -7.090 5.856 -5.311 1.00 0.00 N ATOM 1164 CA LYS B 59 -6.513 7.083 -5.846 1.00 0.00 C ATOM 1165 C LYS B 59 -6.857 8.274 -4.953 1.00 0.00 C ATOM 1166 O LYS B 59 -6.023 9.148 -4.710 1.00 0.00 O ATOM 1167 CB LYS B 59 -7.030 7.326 -7.267 1.00 0.00 C ATOM 1168 CG LYS B 59 -6.289 8.424 -8.013 1.00 0.00 C ATOM 1169 CD LYS B 59 -4.835 8.045 -8.249 1.00 0.00 C ATOM 1170 CE LYS B 59 -4.099 9.103 -9.052 1.00 0.00 C ATOM 1171 NZ LYS B 59 -4.689 9.288 -10.404 1.00 0.00 N1+ ATOM 0 H LYS B 59 -7.801 5.435 -5.909 1.00 0.00 H new ATOM 0 HA LYS B 59 -5.429 6.974 -5.873 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -6.953 6.399 -7.835 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -8.088 7.583 -7.219 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -6.778 8.612 -8.969 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -6.338 9.351 -7.442 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -4.336 7.904 -7.290 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -4.789 7.092 -8.776 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -4.124 10.050 -8.513 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -3.051 8.820 -9.150 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -4.039 9.846 -10.993 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -4.845 8.359 -10.845 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -5.597 9.788 -10.321 1.00 0.00 H new ATOM 1185 N LYS B 60 -8.086 8.286 -4.455 1.00 0.00 N ATOM 1186 CA LYS B 60 -8.560 9.358 -3.594 1.00 0.00 C ATOM 1187 C LYS B 60 -7.782 9.382 -2.283 1.00 0.00 C ATOM 1188 O LYS B 60 -7.173 10.394 -1.931 1.00 0.00 O ATOM 1189 CB LYS B 60 -10.057 9.188 -3.319 1.00 0.00 C ATOM 1190 CG LYS B 60 -10.622 10.219 -2.354 1.00 0.00 C ATOM 1191 CD LYS B 60 -12.112 10.019 -2.118 1.00 0.00 C ATOM 1192 CE LYS B 60 -12.921 10.268 -3.381 1.00 0.00 C ATOM 1193 NZ LYS B 60 -14.382 10.167 -3.131 1.00 0.00 N1+ ATOM 0 H LYS B 60 -8.777 7.558 -4.635 1.00 0.00 H new ATOM 0 HA LYS B 60 -8.399 10.308 -4.104 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -10.600 9.250 -4.262 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -10.232 8.191 -2.915 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -10.092 10.155 -1.404 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -10.448 11.220 -2.749 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -12.291 9.003 -1.766 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -12.449 10.694 -1.331 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -12.687 11.258 -3.773 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -12.633 9.546 -4.145 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -14.885 10.088 -4.038 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -14.578 9.325 -2.552 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -14.708 11.017 -2.627 1.00 0.00 H new ATOM 1207 N CYS B 61 -7.786 8.257 -1.581 1.00 0.00 N ATOM 1208 CA CYS B 61 -7.135 8.159 -0.280 1.00 0.00 C ATOM 1209 C CYS B 61 -5.616 8.183 -0.409 1.00 0.00 C ATOM 1210 O CYS B 61 -4.909 8.477 0.556 1.00 0.00 O ATOM 1211 CB CYS B 61 -7.589 6.890 0.434 1.00 0.00 C ATOM 1212 SG CYS B 61 -9.381 6.846 0.772 1.00 0.00 S ATOM 0 H CYS B 61 -8.235 7.395 -1.892 1.00 0.00 H new ATOM 0 HA CYS B 61 -7.427 9.028 0.310 1.00 0.00 H new ATOM 0 HB2 CYS B 61 -7.321 6.025 -0.173 1.00 0.00 H new ATOM 0 HB3 CYS B 61 -7.047 6.799 1.376 1.00 0.00 H new ATOM 1217 N GLN B 62 -5.120 7.872 -1.602 1.00 0.00 N ATOM 1218 CA GLN B 62 -3.691 7.934 -1.880 1.00 0.00 C ATOM 1219 C GLN B 62 -3.156 9.330 -1.597 1.00 0.00 C ATOM 1220 O GLN B 62 -2.242 9.500 -0.794 1.00 0.00 O ATOM 1221 CB GLN B 62 -3.419 7.561 -3.338 1.00 0.00 C ATOM 1222 CG GLN B 62 -1.971 7.739 -3.751 1.00 0.00 C ATOM 1223 CD GLN B 62 -1.725 7.348 -5.193 1.00 0.00 C ATOM 1224 OE1 GLN B 62 -2.384 6.459 -5.732 1.00 0.00 O ATOM 1225 NE2 GLN B 62 -0.774 8.014 -5.830 1.00 0.00 N ATOM 0 H GLN B 62 -5.689 7.574 -2.394 1.00 0.00 H new ATOM 0 HA GLN B 62 -3.182 7.222 -1.230 1.00 0.00 H new ATOM 0 HB2 GLN B 62 -3.709 6.523 -3.499 1.00 0.00 H new ATOM 0 HB3 GLN B 62 -4.050 8.171 -3.984 1.00 0.00 H new ATOM 0 HG2 GLN B 62 -1.681 8.780 -3.606 1.00 0.00 H new ATOM 0 HG3 GLN B 62 -1.335 7.137 -3.102 1.00 0.00 H new ATOM 0 HE21 GLN B 62 -0.251 8.744 -5.346 1.00 0.00 H new ATOM 0 HE22 GLN B 62 -0.565 7.797 -6.804 1.00 0.00 H new ATOM 1234 N ASP B 63 -3.758 10.321 -2.244 1.00 0.00 N ATOM 1235 CA ASP B 63 -3.346 11.715 -2.094 1.00 0.00 C ATOM 1236 C ASP B 63 -3.440 12.160 -0.640 1.00 0.00 C ATOM 1237 O ASP B 63 -2.597 12.918 -0.156 1.00 0.00 O ATOM 1238 CB ASP B 63 -4.221 12.612 -2.971 1.00 0.00 C ATOM 1239 CG ASP B 63 -3.931 14.087 -2.773 1.00 0.00 C ATOM 1240 OD1 ASP B 63 -4.670 14.749 -2.014 1.00 0.00 O ATOM 1241 OD2 ASP B 63 -2.967 14.595 -3.379 1.00 0.00 O1- ATOM 0 H ASP B 63 -4.541 10.184 -2.884 1.00 0.00 H new ATOM 0 HA ASP B 63 -2.306 11.801 -2.410 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -4.065 12.353 -4.018 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -5.270 12.419 -2.748 1.00 0.00 H new ATOM 1246 N GLU B 64 -4.461 11.660 0.050 1.00 0.00 N ATOM 1247 CA GLU B 64 -4.699 11.992 1.451 1.00 0.00 C ATOM 1248 C GLU B 64 -3.459 11.760 2.294 1.00 0.00 C ATOM 1249 O GLU B 64 -2.931 12.672 2.931 1.00 0.00 O ATOM 1250 CB GLU B 64 -5.834 11.130 2.004 1.00 0.00 C ATOM 1251 CG GLU B 64 -7.197 11.502 1.453 1.00 0.00 C ATOM 1252 CD GLU B 64 -7.618 12.892 1.876 1.00 0.00 C ATOM 1253 OE1 GLU B 64 -8.173 13.034 2.982 1.00 0.00 O ATOM 1254 OE2 GLU B 64 -7.387 13.851 1.114 1.00 0.00 O1- ATOM 0 H GLU B 64 -5.145 11.015 -0.345 1.00 0.00 H new ATOM 0 HA GLU B 64 -4.965 13.048 1.499 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -5.631 10.084 1.774 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -5.853 11.220 3.090 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -7.176 11.445 0.365 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -7.937 10.779 1.796 1.00 0.00 H new ATOM 1261 N LEU B 65 -3.000 10.528 2.275 1.00 0.00 N ATOM 1262 CA LEU B 65 -1.932 10.093 3.147 1.00 0.00 C ATOM 1263 C LEU B 65 -0.560 10.312 2.518 1.00 0.00 C ATOM 1264 O LEU B 65 0.422 10.474 3.232 1.00 0.00 O ATOM 1265 CB LEU B 65 -2.158 8.635 3.515 1.00 0.00 C ATOM 1266 CG LEU B 65 -3.527 8.368 4.149 1.00 0.00 C ATOM 1267 CD1 LEU B 65 -3.907 6.911 4.014 1.00 0.00 C ATOM 1268 CD2 LEU B 65 -3.536 8.784 5.613 1.00 0.00 C ATOM 0 H LEU B 65 -3.356 9.800 1.655 1.00 0.00 H new ATOM 0 HA LEU B 65 -1.946 10.696 4.055 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -2.056 8.023 2.619 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -1.378 8.319 4.208 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.266 8.967 3.616 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -4.882 6.746 4.471 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -3.951 6.643 2.958 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -3.162 6.293 4.515 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.518 8.585 6.042 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -2.781 8.217 6.157 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.315 9.849 5.690 1.00 0.00 H new ATOM 1280 N TYR B 66 -0.492 10.312 1.185 1.00 0.00 N ATOM 1281 CA TYR B 66 0.765 10.578 0.472 1.00 0.00 C ATOM 1282 C TYR B 66 1.418 11.861 0.976 1.00 0.00 C ATOM 1283 O TYR B 66 2.636 11.923 1.146 1.00 0.00 O ATOM 1284 CB TYR B 66 0.516 10.685 -1.039 1.00 0.00 C ATOM 1285 CG TYR B 66 1.754 11.015 -1.851 1.00 0.00 C ATOM 1286 CD1 TYR B 66 2.657 10.024 -2.213 1.00 0.00 C ATOM 1287 CD2 TYR B 66 2.015 12.317 -2.259 1.00 0.00 C ATOM 1288 CE1 TYR B 66 3.784 10.320 -2.954 1.00 0.00 C ATOM 1289 CE2 TYR B 66 3.140 12.620 -3.000 1.00 0.00 C ATOM 1290 CZ TYR B 66 4.019 11.618 -3.345 1.00 0.00 C ATOM 1291 OH TYR B 66 5.144 11.918 -4.078 1.00 0.00 O ATOM 0 H TYR B 66 -1.290 10.131 0.576 1.00 0.00 H new ATOM 0 HA TYR B 66 1.439 9.743 0.665 1.00 0.00 H new ATOM 0 HB2 TYR B 66 0.102 9.742 -1.395 1.00 0.00 H new ATOM 0 HB3 TYR B 66 -0.238 11.452 -1.218 1.00 0.00 H new ATOM 0 HD1 TYR B 66 2.475 9.004 -1.910 1.00 0.00 H new ATOM 0 HD2 TYR B 66 1.327 13.105 -1.992 1.00 0.00 H new ATOM 0 HE1 TYR B 66 4.477 9.537 -3.225 1.00 0.00 H new ATOM 0 HE2 TYR B 66 3.329 13.638 -3.307 1.00 0.00 H new ATOM 0 HH TYR B 66 5.160 12.878 -4.274 1.00 0.00 H new ATOM 1301 N ALA B 67 0.597 12.869 1.232 1.00 0.00 N ATOM 1302 CA ALA B 67 1.087 14.155 1.712 1.00 0.00 C ATOM 1303 C ALA B 67 1.688 14.037 3.112 1.00 0.00 C ATOM 1304 O ALA B 67 2.493 14.869 3.526 1.00 0.00 O ATOM 1305 CB ALA B 67 -0.042 15.172 1.708 1.00 0.00 C ATOM 0 H ALA B 67 -0.415 12.822 1.115 1.00 0.00 H new ATOM 0 HA ALA B 67 1.877 14.489 1.039 1.00 0.00 H new ATOM 0 HB1 ALA B 67 0.331 16.131 2.068 1.00 0.00 H new ATOM 0 HB2 ALA B 67 -0.423 15.288 0.693 1.00 0.00 H new ATOM 0 HB3 ALA B 67 -0.845 14.827 2.360 1.00 0.00 H new ATOM 1311 N SER B 68 1.301 12.994 3.833 1.00 0.00 N ATOM 1312 CA SER B 68 1.757 12.798 5.200 1.00 0.00 C ATOM 1313 C SER B 68 2.811 11.691 5.292 1.00 0.00 C ATOM 1314 O SER B 68 3.496 11.564 6.305 1.00 0.00 O ATOM 1315 CB SER B 68 0.563 12.452 6.090 1.00 0.00 C ATOM 1316 OG SER B 68 -0.457 13.429 5.974 1.00 0.00 O ATOM 0 H SER B 68 0.670 12.269 3.492 1.00 0.00 H new ATOM 0 HA SER B 68 2.219 13.725 5.539 1.00 0.00 H new ATOM 0 HB2 SER B 68 0.169 11.475 5.812 1.00 0.00 H new ATOM 0 HB3 SER B 68 0.887 12.381 7.128 1.00 0.00 H new ATOM 0 HG SER B 68 -1.211 13.185 6.551 1.00 0.00 H new ATOM 1322 N MET B 69 2.938 10.895 4.235 1.00 0.00 N ATOM 1323 CA MET B 69 3.869 9.770 4.231 1.00 0.00 C ATOM 1324 C MET B 69 5.312 10.238 4.109 1.00 0.00 C ATOM 1325 O MET B 69 5.596 11.232 3.438 1.00 0.00 O ATOM 1326 CB MET B 69 3.550 8.808 3.086 1.00 0.00 C ATOM 1327 CG MET B 69 2.280 8.003 3.294 1.00 0.00 C ATOM 1328 SD MET B 69 2.193 6.549 2.231 1.00 0.00 S ATOM 1329 CE MET B 69 2.219 7.292 0.604 1.00 0.00 C ATOM 0 H MET B 69 2.409 11.007 3.370 1.00 0.00 H new ATOM 0 HA MET B 69 3.751 9.253 5.183 1.00 0.00 H new ATOM 0 HB2 MET B 69 3.460 9.377 2.161 1.00 0.00 H new ATOM 0 HB3 MET B 69 4.387 8.121 2.958 1.00 0.00 H new ATOM 0 HG2 MET B 69 2.220 7.690 4.336 1.00 0.00 H new ATOM 0 HG3 MET B 69 1.416 8.640 3.103 1.00 0.00 H new ATOM 0 HE1 MET B 69 2.525 6.548 -0.131 1.00 0.00 H new ATOM 0 HE2 MET B 69 1.223 7.659 0.356 1.00 0.00 H new ATOM 0 HE3 MET B 69 2.925 8.122 0.595 1.00 0.00 H new ATOM 1339 N PRO B 70 6.239 9.515 4.759 1.00 0.00 N ATOM 1340 CA PRO B 70 7.674 9.814 4.703 1.00 0.00 C ATOM 1341 C PRO B 70 8.283 9.479 3.345 1.00 0.00 C ATOM 1342 O PRO B 70 7.580 9.012 2.450 1.00 0.00 O ATOM 1343 CB PRO B 70 8.264 8.908 5.787 1.00 0.00 C ATOM 1344 CG PRO B 70 7.317 7.762 5.866 1.00 0.00 C ATOM 1345 CD PRO B 70 5.956 8.344 5.613 1.00 0.00 C ATOM 0 HA PRO B 70 7.876 10.874 4.853 1.00 0.00 H new ATOM 0 HB2 PRO B 70 9.269 8.576 5.524 1.00 0.00 H new ATOM 0 HB3 PRO B 70 8.339 9.428 6.742 1.00 0.00 H new ATOM 0 HG2 PRO B 70 7.561 7.000 5.126 1.00 0.00 H new ATOM 0 HG3 PRO B 70 7.363 7.283 6.844 1.00 0.00 H new ATOM 0 HD2 PRO B 70 5.300 7.631 5.113 1.00 0.00 H new ATOM 0 HD3 PRO B 70 5.464 8.633 6.541 1.00 0.00 H new ATOM 1353 N ASP B 71 9.582 9.706 3.195 1.00 0.00 N ATOM 1354 CA ASP B 71 10.266 9.465 1.923 1.00 0.00 C ATOM 1355 C ASP B 71 10.131 8.007 1.500 1.00 0.00 C ATOM 1356 O ASP B 71 9.737 7.703 0.368 1.00 0.00 O ATOM 1357 CB ASP B 71 11.750 9.823 2.036 1.00 0.00 C ATOM 1358 CG ASP B 71 12.464 9.775 0.697 1.00 0.00 C ATOM 1359 OD1 ASP B 71 13.210 8.804 0.444 1.00 0.00 O ATOM 1360 OD2 ASP B 71 12.284 10.715 -0.108 1.00 0.00 O1- ATOM 0 H ASP B 71 10.187 10.057 3.937 1.00 0.00 H new ATOM 0 HA ASP B 71 9.797 10.098 1.169 1.00 0.00 H new ATOM 0 HB2 ASP B 71 11.848 10.822 2.461 1.00 0.00 H new ATOM 0 HB3 ASP B 71 12.235 9.134 2.727 1.00 0.00 H new ATOM 1365 N LYS B 72 10.438 7.110 2.422 1.00 0.00 N ATOM 1366 CA LYS B 72 10.416 5.687 2.136 1.00 0.00 C ATOM 1367 C LYS B 72 9.433 4.972 3.046 1.00 0.00 C ATOM 1368 O LYS B 72 9.202 5.388 4.182 1.00 0.00 O ATOM 1369 CB LYS B 72 11.811 5.091 2.305 1.00 0.00 C ATOM 1370 CG LYS B 72 12.866 5.778 1.463 1.00 0.00 C ATOM 1371 CD LYS B 72 14.249 5.219 1.734 1.00 0.00 C ATOM 1372 CE LYS B 72 15.316 6.024 1.016 1.00 0.00 C ATOM 1373 NZ LYS B 72 15.301 7.453 1.428 1.00 0.00 N1+ ATOM 0 H LYS B 72 10.706 7.344 3.378 1.00 0.00 H new ATOM 0 HA LYS B 72 10.095 5.552 1.103 1.00 0.00 H new ATOM 0 HB2 LYS B 72 12.099 5.151 3.355 1.00 0.00 H new ATOM 0 HB3 LYS B 72 11.780 4.033 2.043 1.00 0.00 H new ATOM 0 HG2 LYS B 72 12.625 5.657 0.407 1.00 0.00 H new ATOM 0 HG3 LYS B 72 12.858 6.848 1.671 1.00 0.00 H new ATOM 0 HD2 LYS B 72 14.444 5.227 2.806 1.00 0.00 H new ATOM 0 HD3 LYS B 72 14.294 4.179 1.410 1.00 0.00 H new ATOM 0 HE2 LYS B 72 16.296 5.596 1.225 1.00 0.00 H new ATOM 0 HE3 LYS B 72 15.161 5.955 -0.061 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 16.273 7.822 1.438 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 14.730 8.002 0.755 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 14.889 7.536 2.380 1.00 0.00 H new ATOM 1387 N ILE B 73 8.865 3.892 2.544 1.00 0.00 N ATOM 1388 CA ILE B 73 7.882 3.129 3.285 1.00 0.00 C ATOM 1389 C ILE B 73 8.428 1.744 3.615 1.00 0.00 C ATOM 1390 O ILE B 73 8.591 0.901 2.731 1.00 0.00 O ATOM 1391 CB ILE B 73 6.569 2.987 2.484 1.00 0.00 C ATOM 1392 CG1 ILE B 73 6.028 4.366 2.083 1.00 0.00 C ATOM 1393 CG2 ILE B 73 5.530 2.228 3.293 1.00 0.00 C ATOM 1394 CD1 ILE B 73 5.628 5.238 3.255 1.00 0.00 C ATOM 0 H ILE B 73 9.071 3.521 1.616 1.00 0.00 H new ATOM 0 HA ILE B 73 7.670 3.667 4.209 1.00 0.00 H new ATOM 0 HB ILE B 73 6.783 2.422 1.576 1.00 0.00 H new ATOM 0 HG12 ILE B 73 6.787 4.886 1.499 1.00 0.00 H new ATOM 0 HG13 ILE B 73 5.163 4.230 1.433 1.00 0.00 H new ATOM 0 HG21 ILE B 73 4.612 2.138 2.713 1.00 0.00 H new ATOM 0 HG22 ILE B 73 5.909 1.234 3.530 1.00 0.00 H new ATOM 0 HG23 ILE B 73 5.323 2.767 4.217 1.00 0.00 H new ATOM 0 HD11 ILE B 73 5.257 6.194 2.887 1.00 0.00 H new ATOM 0 HD12 ILE B 73 4.845 4.741 3.828 1.00 0.00 H new ATOM 0 HD13 ILE B 73 6.494 5.407 3.895 1.00 0.00 H new ATOM 1406 N ASN B 74 8.719 1.523 4.887 1.00 0.00 N ATOM 1407 CA ASN B 74 9.248 0.246 5.346 1.00 0.00 C ATOM 1408 C ASN B 74 8.109 -0.691 5.720 1.00 0.00 C ATOM 1409 O ASN B 74 6.945 -0.324 5.595 1.00 0.00 O ATOM 1410 CB ASN B 74 10.183 0.454 6.537 1.00 0.00 C ATOM 1411 CG ASN B 74 11.457 1.171 6.148 1.00 0.00 C ATOM 1412 OD1 ASN B 74 11.531 2.401 6.180 1.00 0.00 O ATOM 1413 ND2 ASN B 74 12.470 0.406 5.777 1.00 0.00 N ATOM 0 H ASN B 74 8.597 2.216 5.625 1.00 0.00 H new ATOM 0 HA ASN B 74 9.819 -0.207 4.536 1.00 0.00 H new ATOM 0 HB2 ASN B 74 9.666 1.028 7.306 1.00 0.00 H new ATOM 0 HB3 ASN B 74 10.432 -0.513 6.974 1.00 0.00 H new ATOM 0 HD21 ASN B 74 13.356 0.831 5.503 1.00 0.00 H new ATOM 0 HD22 ASN B 74 12.365 -0.609 5.765 1.00 0.00 H new ATOM 1420 N SER B 75 8.440 -1.892 6.179 1.00 0.00 N ATOM 1421 CA SER B 75 7.431 -2.898 6.511 1.00 0.00 C ATOM 1422 C SER B 75 6.412 -2.365 7.525 1.00 0.00 C ATOM 1423 O SER B 75 5.200 -2.468 7.317 1.00 0.00 O ATOM 1424 CB SER B 75 8.114 -4.151 7.055 1.00 0.00 C ATOM 1425 OG SER B 75 9.078 -4.639 6.137 1.00 0.00 O ATOM 0 H SER B 75 9.402 -2.196 6.331 1.00 0.00 H new ATOM 0 HA SER B 75 6.887 -3.146 5.600 1.00 0.00 H new ATOM 0 HB2 SER B 75 8.594 -3.924 8.007 1.00 0.00 H new ATOM 0 HB3 SER B 75 7.368 -4.922 7.250 1.00 0.00 H new ATOM 0 HG SER B 75 9.505 -5.441 6.506 1.00 0.00 H new ATOM 1431 N GLU B 76 6.903 -1.779 8.610 1.00 0.00 N ATOM 1432 CA GLU B 76 6.031 -1.218 9.634 1.00 0.00 C ATOM 1433 C GLU B 76 5.272 -0.019 9.081 1.00 0.00 C ATOM 1434 O GLU B 76 4.095 0.191 9.385 1.00 0.00 O ATOM 1435 CB GLU B 76 6.845 -0.794 10.857 1.00 0.00 C ATOM 1436 CG GLU B 76 5.987 -0.339 12.026 1.00 0.00 C ATOM 1437 CD GLU B 76 6.803 0.268 13.144 1.00 0.00 C ATOM 1438 OE1 GLU B 76 6.768 1.505 13.304 1.00 0.00 O ATOM 1439 OE2 GLU B 76 7.487 -0.486 13.866 1.00 0.00 O1- ATOM 0 H GLU B 76 7.900 -1.680 8.803 1.00 0.00 H new ATOM 0 HA GLU B 76 5.317 -1.985 9.934 1.00 0.00 H new ATOM 0 HB2 GLU B 76 7.468 -1.629 11.177 1.00 0.00 H new ATOM 0 HB3 GLU B 76 7.518 0.015 10.573 1.00 0.00 H new ATOM 0 HG2 GLU B 76 5.259 0.392 11.675 1.00 0.00 H new ATOM 0 HG3 GLU B 76 5.425 -1.189 12.412 1.00 0.00 H new ATOM 1446 N THR B 77 5.950 0.751 8.245 1.00 0.00 N ATOM 1447 CA THR B 77 5.373 1.942 7.653 1.00 0.00 C ATOM 1448 C THR B 77 4.228 1.555 6.719 1.00 0.00 C ATOM 1449 O THR B 77 3.167 2.182 6.717 1.00 0.00 O ATOM 1450 CB THR B 77 6.448 2.715 6.866 1.00 0.00 C ATOM 1451 OG1 THR B 77 7.717 2.570 7.519 1.00 0.00 O ATOM 1452 CG2 THR B 77 6.106 4.191 6.762 1.00 0.00 C ATOM 0 H THR B 77 6.912 0.567 7.960 1.00 0.00 H new ATOM 0 HA THR B 77 4.987 2.580 8.448 1.00 0.00 H new ATOM 0 HB THR B 77 6.491 2.301 5.859 1.00 0.00 H new ATOM 0 HG1 THR B 77 8.262 3.368 7.356 1.00 0.00 H new ATOM 0 HG21 THR B 77 6.885 4.706 6.201 1.00 0.00 H new ATOM 0 HG22 THR B 77 5.152 4.308 6.249 1.00 0.00 H new ATOM 0 HG23 THR B 77 6.035 4.619 7.762 1.00 0.00 H new ATOM 1460 N ALA B 78 4.455 0.493 5.958 1.00 0.00 N ATOM 1461 CA ALA B 78 3.473 -0.031 5.021 1.00 0.00 C ATOM 1462 C ALA B 78 2.184 -0.412 5.730 1.00 0.00 C ATOM 1463 O ALA B 78 1.099 -0.036 5.298 1.00 0.00 O ATOM 1464 CB ALA B 78 4.049 -1.232 4.292 1.00 0.00 C ATOM 0 H ALA B 78 5.330 -0.031 5.974 1.00 0.00 H new ATOM 0 HA ALA B 78 3.237 0.750 4.298 1.00 0.00 H new ATOM 0 HB1 ALA B 78 3.310 -1.621 3.591 1.00 0.00 H new ATOM 0 HB2 ALA B 78 4.944 -0.932 3.746 1.00 0.00 H new ATOM 0 HB3 ALA B 78 4.307 -2.006 5.014 1.00 0.00 H new ATOM 1470 N GLY B 79 2.311 -1.153 6.823 1.00 0.00 N ATOM 1471 CA GLY B 79 1.145 -1.541 7.592 1.00 0.00 C ATOM 1472 C GLY B 79 0.416 -0.342 8.163 1.00 0.00 C ATOM 1473 O GLY B 79 -0.814 -0.282 8.138 1.00 0.00 O ATOM 0 H GLY B 79 3.200 -1.492 7.191 1.00 0.00 H new ATOM 0 HA2 GLY B 79 0.465 -2.110 6.958 1.00 0.00 H new ATOM 0 HA3 GLY B 79 1.450 -2.201 8.405 1.00 0.00 H new ATOM 1477 N THR B 80 1.185 0.626 8.652 1.00 0.00 N ATOM 1478 CA THR B 80 0.628 1.827 9.257 1.00 0.00 C ATOM 1479 C THR B 80 -0.241 2.601 8.263 1.00 0.00 C ATOM 1480 O THR B 80 -1.395 2.930 8.549 1.00 0.00 O ATOM 1481 CB THR B 80 1.755 2.746 9.776 1.00 0.00 C ATOM 1482 OG1 THR B 80 2.625 2.009 10.649 1.00 0.00 O ATOM 1483 CG2 THR B 80 1.183 3.944 10.520 1.00 0.00 C ATOM 0 H THR B 80 2.205 0.599 8.640 1.00 0.00 H new ATOM 0 HA THR B 80 0.004 1.511 10.093 1.00 0.00 H new ATOM 0 HB THR B 80 2.320 3.109 8.917 1.00 0.00 H new ATOM 0 HG1 THR B 80 3.371 1.640 10.132 1.00 0.00 H new ATOM 0 HG21 THR B 80 1.998 4.575 10.875 1.00 0.00 H new ATOM 0 HG22 THR B 80 0.545 4.519 9.848 1.00 0.00 H new ATOM 0 HG23 THR B 80 0.596 3.598 11.370 1.00 0.00 H new ATOM 1491 N TRP B 81 0.304 2.869 7.086 1.00 0.00 N ATOM 1492 CA TRP B 81 -0.404 3.655 6.086 1.00 0.00 C ATOM 1493 C TRP B 81 -1.390 2.794 5.305 1.00 0.00 C ATOM 1494 O TRP B 81 -2.417 3.286 4.835 1.00 0.00 O ATOM 1495 CB TRP B 81 0.591 4.336 5.150 1.00 0.00 C ATOM 1496 CG TRP B 81 1.450 5.333 5.863 1.00 0.00 C ATOM 1497 CD1 TRP B 81 2.739 5.164 6.274 1.00 0.00 C ATOM 1498 CD2 TRP B 81 1.070 6.649 6.270 1.00 0.00 C ATOM 1499 NE1 TRP B 81 3.184 6.296 6.911 1.00 0.00 N ATOM 1500 CE2 TRP B 81 2.179 7.224 6.918 1.00 0.00 C ATOM 1501 CE3 TRP B 81 -0.100 7.397 6.145 1.00 0.00 C ATOM 1502 CZ2 TRP B 81 2.150 8.513 7.437 1.00 0.00 C ATOM 1503 CZ3 TRP B 81 -0.128 8.677 6.660 1.00 0.00 C ATOM 1504 CH2 TRP B 81 0.991 9.225 7.299 1.00 0.00 C ATOM 0 H TRP B 81 1.231 2.555 6.800 1.00 0.00 H new ATOM 0 HA TRP B 81 -0.979 4.426 6.599 1.00 0.00 H new ATOM 0 HB2 TRP B 81 1.224 3.581 4.685 1.00 0.00 H new ATOM 0 HB3 TRP B 81 0.048 4.835 4.347 1.00 0.00 H new ATOM 0 HD1 TRP B 81 3.325 4.270 6.121 1.00 0.00 H new ATOM 0 HE1 TRP B 81 4.112 6.424 7.313 1.00 0.00 H new ATOM 0 HE3 TRP B 81 -0.968 6.982 5.654 1.00 0.00 H new ATOM 0 HZ2 TRP B 81 3.012 8.937 7.931 1.00 0.00 H new ATOM 0 HZ3 TRP B 81 -1.028 9.266 6.569 1.00 0.00 H new ATOM 0 HH2 TRP B 81 0.937 10.230 7.691 1.00 0.00 H new ATOM 1515 N GLY B 82 -1.088 1.508 5.194 1.00 0.00 N ATOM 1516 CA GLY B 82 -1.979 0.588 4.514 1.00 0.00 C ATOM 1517 C GLY B 82 -3.324 0.486 5.202 1.00 0.00 C ATOM 1518 O GLY B 82 -4.367 0.583 4.556 1.00 0.00 O ATOM 0 H GLY B 82 -0.238 1.083 5.564 1.00 0.00 H new ATOM 0 HA2 GLY B 82 -2.123 0.917 3.485 1.00 0.00 H new ATOM 0 HA3 GLY B 82 -1.518 -0.399 4.472 1.00 0.00 H new ATOM 1522 N ARG B 83 -3.302 0.311 6.519 1.00 0.00 N ATOM 1523 CA ARG B 83 -4.535 0.236 7.297 1.00 0.00 C ATOM 1524 C ARG B 83 -5.266 1.577 7.269 1.00 0.00 C ATOM 1525 O ARG B 83 -6.491 1.631 7.385 1.00 0.00 O ATOM 1526 CB ARG B 83 -4.246 -0.182 8.743 1.00 0.00 C ATOM 1527 CG ARG B 83 -3.461 0.848 9.534 1.00 0.00 C ATOM 1528 CD ARG B 83 -3.253 0.409 10.970 1.00 0.00 C ATOM 1529 NE ARG B 83 -2.548 1.421 11.750 1.00 0.00 N ATOM 1530 CZ ARG B 83 -2.032 1.204 12.957 1.00 0.00 C ATOM 1531 NH1 ARG B 83 -2.129 0.006 13.523 1.00 0.00 N1+ ATOM 1532 NH2 ARG B 83 -1.417 2.188 13.596 1.00 0.00 N ATOM 0 H ARG B 83 -2.448 0.219 7.069 1.00 0.00 H new ATOM 0 HA ARG B 83 -5.175 -0.522 6.844 1.00 0.00 H new ATOM 0 HB2 ARG B 83 -5.191 -0.374 9.251 1.00 0.00 H new ATOM 0 HB3 ARG B 83 -3.692 -1.120 8.736 1.00 0.00 H new ATOM 0 HG2 ARG B 83 -2.494 1.012 9.059 1.00 0.00 H new ATOM 0 HG3 ARG B 83 -3.990 1.801 9.517 1.00 0.00 H new ATOM 0 HD2 ARG B 83 -4.219 0.203 11.431 1.00 0.00 H new ATOM 0 HD3 ARG B 83 -2.687 -0.522 10.987 1.00 0.00 H new ATOM 0 HE ARG B 83 -2.445 2.351 11.345 1.00 0.00 H new ATOM 0 HH11 ARG B 83 -2.601 -0.753 13.032 1.00 0.00 H new ATOM 0 HH12 ARG B 83 -1.731 -0.154 14.449 1.00 0.00 H new ATOM 0 HH21 ARG B 83 -1.340 3.108 13.163 1.00 0.00 H new ATOM 0 HH22 ARG B 83 -1.020 2.026 14.521 1.00 0.00 H new ATOM 1546 N SER B 84 -4.504 2.655 7.107 1.00 0.00 N ATOM 1547 CA SER B 84 -5.074 3.990 7.006 1.00 0.00 C ATOM 1548 C SER B 84 -5.822 4.142 5.684 1.00 0.00 C ATOM 1549 O SER B 84 -6.935 4.666 5.645 1.00 0.00 O ATOM 1550 CB SER B 84 -3.973 5.043 7.131 1.00 0.00 C ATOM 1551 OG SER B 84 -3.262 4.886 8.349 1.00 0.00 O ATOM 0 H SER B 84 -3.486 2.627 7.043 1.00 0.00 H new ATOM 0 HA SER B 84 -5.783 4.137 7.821 1.00 0.00 H new ATOM 0 HB2 SER B 84 -3.285 4.958 6.290 1.00 0.00 H new ATOM 0 HB3 SER B 84 -4.410 6.040 7.086 1.00 0.00 H new ATOM 0 HG SER B 84 -2.607 4.163 8.255 1.00 0.00 H new ATOM 1557 N LEU B 85 -5.207 3.665 4.605 1.00 0.00 N ATOM 1558 CA LEU B 85 -5.872 3.620 3.309 1.00 0.00 C ATOM 1559 C LEU B 85 -7.113 2.745 3.405 1.00 0.00 C ATOM 1560 O LEU B 85 -8.181 3.114 2.928 1.00 0.00 O ATOM 1561 CB LEU B 85 -4.930 3.068 2.232 1.00 0.00 C ATOM 1562 CG LEU B 85 -3.773 3.987 1.829 1.00 0.00 C ATOM 1563 CD1 LEU B 85 -2.729 3.212 1.045 1.00 0.00 C ATOM 1564 CD2 LEU B 85 -4.282 5.155 0.995 1.00 0.00 C ATOM 0 H LEU B 85 -4.252 3.306 4.604 1.00 0.00 H new ATOM 0 HA LEU B 85 -6.158 4.634 3.029 1.00 0.00 H new ATOM 0 HB2 LEU B 85 -4.514 2.125 2.587 1.00 0.00 H new ATOM 0 HB3 LEU B 85 -5.518 2.842 1.342 1.00 0.00 H new ATOM 0 HG LEU B 85 -3.316 4.377 2.739 1.00 0.00 H new ATOM 0 HD11 LEU B 85 -1.914 3.880 0.766 1.00 0.00 H new ATOM 0 HD12 LEU B 85 -2.340 2.401 1.660 1.00 0.00 H new ATOM 0 HD13 LEU B 85 -3.183 2.798 0.145 1.00 0.00 H new ATOM 0 HD21 LEU B 85 -3.445 5.797 0.718 1.00 0.00 H new ATOM 0 HD22 LEU B 85 -4.762 4.776 0.093 1.00 0.00 H new ATOM 0 HD23 LEU B 85 -5.003 5.730 1.576 1.00 0.00 H new ATOM 1576 N GLY B 86 -6.960 1.597 4.056 1.00 0.00 N ATOM 1577 CA GLY B 86 -8.051 0.653 4.200 1.00 0.00 C ATOM 1578 C GLY B 86 -9.286 1.247 4.851 1.00 0.00 C ATOM 1579 O GLY B 86 -10.395 1.110 4.328 1.00 0.00 O ATOM 0 H GLY B 86 -6.086 1.301 4.492 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -8.319 0.267 3.216 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -7.710 -0.196 4.793 1.00 0.00 H new ATOM 1583 N GLU B 87 -9.109 1.916 5.985 1.00 0.00 N ATOM 1584 CA GLU B 87 -10.240 2.499 6.697 1.00 0.00 C ATOM 1585 C GLU B 87 -10.826 3.678 5.924 1.00 0.00 C ATOM 1586 O GLU B 87 -12.039 3.879 5.915 1.00 0.00 O ATOM 1587 CB GLU B 87 -9.837 2.930 8.110 1.00 0.00 C ATOM 1588 CG GLU B 87 -8.706 3.941 8.151 1.00 0.00 C ATOM 1589 CD GLU B 87 -8.379 4.386 9.558 1.00 0.00 C ATOM 1590 OE1 GLU B 87 -7.806 3.583 10.322 1.00 0.00 O ATOM 1591 OE2 GLU B 87 -8.679 5.545 9.904 1.00 0.00 O1- ATOM 0 H GLU B 87 -8.203 2.067 6.427 1.00 0.00 H new ATOM 0 HA GLU B 87 -11.009 1.731 6.781 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -10.707 3.354 8.611 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -9.542 2.047 8.677 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -7.817 3.505 7.695 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -8.978 4.810 7.552 1.00 0.00 H new ATOM 1598 N CYS B 88 -9.960 4.443 5.268 1.00 0.00 N ATOM 1599 CA CYS B 88 -10.393 5.585 4.471 1.00 0.00 C ATOM 1600 C CYS B 88 -11.217 5.123 3.273 1.00 0.00 C ATOM 1601 O CYS B 88 -12.305 5.644 3.011 1.00 0.00 O ATOM 1602 CB CYS B 88 -9.181 6.385 3.991 1.00 0.00 C ATOM 1603 SG CYS B 88 -9.593 7.744 2.849 1.00 0.00 S ATOM 0 H CYS B 88 -8.951 4.292 5.273 1.00 0.00 H new ATOM 0 HA CYS B 88 -11.016 6.223 5.098 1.00 0.00 H new ATOM 0 HB2 CYS B 88 -8.664 6.797 4.858 1.00 0.00 H new ATOM 0 HB3 CYS B 88 -8.484 5.708 3.497 1.00 0.00 H new ATOM 1608 N ILE B 89 -10.695 4.132 2.563 1.00 0.00 N ATOM 1609 CA ILE B 89 -11.360 3.583 1.392 1.00 0.00 C ATOM 1610 C ILE B 89 -12.690 2.952 1.769 1.00 0.00 C ATOM 1611 O ILE B 89 -13.682 3.117 1.064 1.00 0.00 O ATOM 1612 CB ILE B 89 -10.474 2.535 0.693 1.00 0.00 C ATOM 1613 CG1 ILE B 89 -9.243 3.211 0.085 1.00 0.00 C ATOM 1614 CG2 ILE B 89 -11.263 1.791 -0.373 1.00 0.00 C ATOM 1615 CD1 ILE B 89 -8.197 2.236 -0.399 1.00 0.00 C ATOM 0 H ILE B 89 -9.803 3.689 2.782 1.00 0.00 H new ATOM 0 HA ILE B 89 -11.541 4.408 0.703 1.00 0.00 H new ATOM 0 HB ILE B 89 -10.141 1.808 1.433 1.00 0.00 H new ATOM 0 HG12 ILE B 89 -9.558 3.838 -0.749 1.00 0.00 H new ATOM 0 HG13 ILE B 89 -8.796 3.871 0.829 1.00 0.00 H new ATOM 0 HG21 ILE B 89 -10.619 1.055 -0.855 1.00 0.00 H new ATOM 0 HG22 ILE B 89 -12.111 1.284 0.089 1.00 0.00 H new ATOM 0 HG23 ILE B 89 -11.626 2.499 -1.118 1.00 0.00 H new ATOM 0 HD11 ILE B 89 -7.354 2.785 -0.817 1.00 0.00 H new ATOM 0 HD12 ILE B 89 -7.854 1.626 0.437 1.00 0.00 H new ATOM 0 HD13 ILE B 89 -8.627 1.592 -1.166 1.00 0.00 H new ATOM 1627 N GLY B 90 -12.708 2.244 2.891 1.00 0.00 N ATOM 1628 CA GLY B 90 -13.930 1.619 3.354 1.00 0.00 C ATOM 1629 C GLY B 90 -15.038 2.630 3.585 1.00 0.00 C ATOM 1630 O GLY B 90 -16.216 2.327 3.401 1.00 0.00 O ATOM 0 H GLY B 90 -11.896 2.092 3.489 1.00 0.00 H new ATOM 0 HA2 GLY B 90 -14.260 0.882 2.622 1.00 0.00 H new ATOM 0 HA3 GLY B 90 -13.732 1.081 4.281 1.00 0.00 H new ATOM 1634 N LYS B 91 -14.650 3.842 3.963 1.00 0.00 N ATOM 1635 CA LYS B 91 -15.601 4.922 4.196 1.00 0.00 C ATOM 1636 C LYS B 91 -16.168 5.428 2.878 1.00 0.00 C ATOM 1637 O LYS B 91 -17.364 5.701 2.765 1.00 0.00 O ATOM 1638 CB LYS B 91 -14.923 6.070 4.944 1.00 0.00 C ATOM 1639 CG LYS B 91 -14.491 5.701 6.350 1.00 0.00 C ATOM 1640 CD LYS B 91 -13.736 6.832 7.027 1.00 0.00 C ATOM 1641 CE LYS B 91 -14.611 8.058 7.228 1.00 0.00 C ATOM 1642 NZ LYS B 91 -13.886 9.140 7.944 1.00 0.00 N1+ ATOM 0 H LYS B 91 -13.676 4.103 4.116 1.00 0.00 H new ATOM 0 HA LYS B 91 -16.419 4.534 4.803 1.00 0.00 H new ATOM 0 HB2 LYS B 91 -14.051 6.398 4.378 1.00 0.00 H new ATOM 0 HB3 LYS B 91 -15.608 6.917 4.993 1.00 0.00 H new ATOM 0 HG2 LYS B 91 -15.368 5.444 6.944 1.00 0.00 H new ATOM 0 HG3 LYS B 91 -13.859 4.813 6.314 1.00 0.00 H new ATOM 0 HD2 LYS B 91 -13.361 6.491 7.992 1.00 0.00 H new ATOM 0 HD3 LYS B 91 -12.868 7.100 6.425 1.00 0.00 H new ATOM 0 HE2 LYS B 91 -14.950 8.426 6.259 1.00 0.00 H new ATOM 0 HE3 LYS B 91 -15.501 7.781 7.793 1.00 0.00 H new ATOM 0 HZ1 LYS B 91 -14.515 9.960 8.063 1.00 0.00 H new ATOM 0 HZ2 LYS B 91 -13.585 8.797 8.878 1.00 0.00 H new ATOM 0 HZ3 LYS B 91 -13.050 9.422 7.393 1.00 0.00 H new ATOM 1656 N ASP B 92 -15.297 5.546 1.885 1.00 0.00 N ATOM 1657 CA ASP B 92 -15.701 5.988 0.556 1.00 0.00 C ATOM 1658 C ASP B 92 -16.536 4.915 -0.119 1.00 0.00 C ATOM 1659 O ASP B 92 -17.600 5.190 -0.663 1.00 0.00 O ATOM 1660 CB ASP B 92 -14.470 6.306 -0.298 1.00 0.00 C ATOM 1661 CG ASP B 92 -14.831 6.742 -1.705 1.00 0.00 C ATOM 1662 OD1 ASP B 92 -14.753 5.911 -2.633 1.00 0.00 O ATOM 1663 OD2 ASP B 92 -15.188 7.924 -1.894 1.00 0.00 O1- ATOM 0 H ASP B 92 -14.302 5.341 1.975 1.00 0.00 H new ATOM 0 HA ASP B 92 -16.300 6.893 0.658 1.00 0.00 H new ATOM 0 HB2 ASP B 92 -13.891 7.094 0.185 1.00 0.00 H new ATOM 0 HB3 ASP B 92 -13.830 5.425 -0.348 1.00 0.00 H new ATOM 1668 N PHE B 93 -16.047 3.687 -0.045 1.00 0.00 N ATOM 1669 CA PHE B 93 -16.706 2.537 -0.649 1.00 0.00 C ATOM 1670 C PHE B 93 -18.122 2.369 -0.113 1.00 0.00 C ATOM 1671 O PHE B 93 -19.053 2.067 -0.866 1.00 0.00 O ATOM 1672 CB PHE B 93 -15.883 1.278 -0.372 1.00 0.00 C ATOM 1673 CG PHE B 93 -16.466 0.015 -0.937 1.00 0.00 C ATOM 1674 CD1 PHE B 93 -17.174 -0.860 -0.128 1.00 0.00 C ATOM 1675 CD2 PHE B 93 -16.296 -0.302 -2.274 1.00 0.00 C ATOM 1676 CE1 PHE B 93 -17.695 -2.029 -0.640 1.00 0.00 C ATOM 1677 CE2 PHE B 93 -16.816 -1.470 -2.792 1.00 0.00 C ATOM 1678 CZ PHE B 93 -17.515 -2.334 -1.975 1.00 0.00 C ATOM 0 H PHE B 93 -15.178 3.458 0.438 1.00 0.00 H new ATOM 0 HA PHE B 93 -16.775 2.700 -1.724 1.00 0.00 H new ATOM 0 HB2 PHE B 93 -14.882 1.416 -0.782 1.00 0.00 H new ATOM 0 HB3 PHE B 93 -15.773 1.161 0.706 1.00 0.00 H new ATOM 0 HD1 PHE B 93 -17.319 -0.623 0.916 1.00 0.00 H new ATOM 0 HD2 PHE B 93 -15.751 0.372 -2.918 1.00 0.00 H new ATOM 0 HE1 PHE B 93 -18.242 -2.704 0.001 1.00 0.00 H new ATOM 0 HE2 PHE B 93 -16.676 -1.708 -3.836 1.00 0.00 H new ATOM 0 HZ PHE B 93 -17.922 -3.249 -2.379 1.00 0.00 H new ATOM 1688 N ALA B 94 -18.281 2.570 1.189 1.00 0.00 N ATOM 1689 CA ALA B 94 -19.584 2.451 1.819 1.00 0.00 C ATOM 1690 C ALA B 94 -20.562 3.459 1.239 1.00 0.00 C ATOM 1691 O ALA B 94 -21.595 3.086 0.694 1.00 0.00 O ATOM 1692 CB ALA B 94 -19.477 2.630 3.322 1.00 0.00 C ATOM 0 H ALA B 94 -17.523 2.816 1.826 1.00 0.00 H new ATOM 0 HA ALA B 94 -19.960 1.448 1.616 1.00 0.00 H new ATOM 0 HB1 ALA B 94 -20.466 2.537 3.771 1.00 0.00 H new ATOM 0 HB2 ALA B 94 -18.818 1.865 3.733 1.00 0.00 H new ATOM 0 HB3 ALA B 94 -19.070 3.617 3.543 1.00 0.00 H new ATOM 1698 N GLU B 95 -20.219 4.733 1.326 1.00 0.00 N ATOM 1699 CA GLU B 95 -21.107 5.790 0.868 1.00 0.00 C ATOM 1700 C GLU B 95 -21.276 5.776 -0.648 1.00 0.00 C ATOM 1701 O GLU B 95 -22.272 6.273 -1.171 1.00 0.00 O ATOM 1702 CB GLU B 95 -20.587 7.149 1.329 1.00 0.00 C ATOM 1703 CG GLU B 95 -20.487 7.262 2.839 1.00 0.00 C ATOM 1704 CD GLU B 95 -20.079 8.645 3.296 1.00 0.00 C ATOM 1705 OE1 GLU B 95 -18.866 8.892 3.455 1.00 0.00 O ATOM 1706 OE2 GLU B 95 -20.971 9.496 3.498 1.00 0.00 O1- ATOM 0 H GLU B 95 -19.333 5.061 1.709 1.00 0.00 H new ATOM 0 HA GLU B 95 -22.088 5.610 1.308 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -19.604 7.324 0.891 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -21.247 7.931 0.954 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -21.449 7.007 3.283 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -19.763 6.534 3.206 1.00 0.00 H new ATOM 1713 N LYS B 96 -20.312 5.198 -1.355 1.00 0.00 N ATOM 1714 CA LYS B 96 -20.357 5.188 -2.807 1.00 0.00 C ATOM 1715 C LYS B 96 -21.264 4.081 -3.327 1.00 0.00 C ATOM 1716 O LYS B 96 -22.154 4.330 -4.141 1.00 0.00 O ATOM 1717 CB LYS B 96 -18.941 5.071 -3.404 1.00 0.00 C ATOM 1718 CG LYS B 96 -18.427 3.660 -3.662 1.00 0.00 C ATOM 1719 CD LYS B 96 -16.963 3.659 -4.086 1.00 0.00 C ATOM 1720 CE LYS B 96 -16.703 4.617 -5.239 1.00 0.00 C ATOM 1721 NZ LYS B 96 -15.280 4.598 -5.670 1.00 0.00 N1+ ATOM 0 H LYS B 96 -19.499 4.735 -0.949 1.00 0.00 H new ATOM 0 HA LYS B 96 -20.780 6.139 -3.130 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -18.922 5.619 -4.346 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -18.244 5.570 -2.730 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -18.544 3.060 -2.760 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -19.030 3.190 -4.438 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -16.339 3.937 -3.236 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -16.671 2.651 -4.380 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -17.341 4.351 -6.082 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -16.977 5.628 -4.939 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -15.028 5.522 -6.076 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -14.671 4.403 -4.850 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -15.144 3.856 -6.386 1.00 0.00 H new ATOM 1735 N HIS B 97 -21.039 2.862 -2.869 1.00 0.00 N ATOM 1736 CA HIS B 97 -21.758 1.728 -3.419 1.00 0.00 C ATOM 1737 C HIS B 97 -22.718 1.087 -2.414 1.00 0.00 C ATOM 1738 O HIS B 97 -23.821 0.691 -2.783 1.00 0.00 O ATOM 1739 CB HIS B 97 -20.779 0.699 -3.973 1.00 0.00 C ATOM 1740 CG HIS B 97 -21.295 -0.011 -5.190 1.00 0.00 C ATOM 1741 ND1 HIS B 97 -21.048 0.428 -6.475 1.00 0.00 N ATOM 1742 CD2 HIS B 97 -22.046 -1.132 -5.318 1.00 0.00 C ATOM 1743 CE1 HIS B 97 -21.622 -0.391 -7.336 1.00 0.00 C ATOM 1744 NE2 HIS B 97 -22.233 -1.343 -6.661 1.00 0.00 N ATOM 0 H HIS B 97 -20.375 2.634 -2.129 1.00 0.00 H new ATOM 0 HA HIS B 97 -22.376 2.106 -4.233 1.00 0.00 H new ATOM 0 HB2 HIS B 97 -19.841 1.196 -4.220 1.00 0.00 H new ATOM 0 HB3 HIS B 97 -20.556 -0.035 -3.199 1.00 0.00 H new ATOM 0 HD2 HIS B 97 -22.426 -1.744 -4.514 1.00 0.00 H new ATOM 0 HE1 HIS B 97 -21.595 -0.297 -8.412 1.00 0.00 H new ATOM 0 HE2 HIS B 97 -22.761 -2.114 -7.071 1.00 0.00 H new ATOM 1753 N LEU B 98 -22.300 0.977 -1.150 1.00 0.00 N ATOM 1754 CA LEU B 98 -23.138 0.345 -0.124 1.00 0.00 C ATOM 1755 C LEU B 98 -24.343 1.215 0.209 1.00 0.00 C ATOM 1756 O LEU B 98 -25.404 0.711 0.572 1.00 0.00 O ATOM 1757 CB LEU B 98 -22.344 0.069 1.157 1.00 0.00 C ATOM 1758 CG LEU B 98 -21.263 -1.010 1.057 1.00 0.00 C ATOM 1759 CD1 LEU B 98 -20.544 -1.167 2.385 1.00 0.00 C ATOM 1760 CD2 LEU B 98 -21.866 -2.338 0.640 1.00 0.00 C ATOM 0 H LEU B 98 -21.397 1.313 -0.814 1.00 0.00 H new ATOM 0 HA LEU B 98 -23.482 -0.604 -0.535 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -21.873 0.999 1.476 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -23.045 -0.219 1.941 1.00 0.00 H new ATOM 0 HG LEU B 98 -20.545 -0.698 0.299 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -19.779 -1.938 2.296 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -20.076 -0.222 2.659 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -21.260 -1.454 3.155 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -21.080 -3.090 0.575 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -22.606 -2.649 1.377 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -22.346 -2.230 -0.333 1.00 0.00 H new ATOM 1772 N ILE B 99 -24.163 2.522 0.111 1.00 0.00 N ATOM 1773 CA ILE B 99 -25.270 3.454 0.245 1.00 0.00 C ATOM 1774 C ILE B 99 -25.885 3.707 -1.127 1.00 0.00 C ATOM 1775 O ILE B 99 -25.277 4.360 -1.974 1.00 0.00 O ATOM 1776 CB ILE B 99 -24.811 4.792 0.865 1.00 0.00 C ATOM 1777 CG1 ILE B 99 -24.152 4.554 2.229 1.00 0.00 C ATOM 1778 CG2 ILE B 99 -25.985 5.753 1.003 1.00 0.00 C ATOM 1779 CD1 ILE B 99 -25.047 3.869 3.240 1.00 0.00 C ATOM 0 H ILE B 99 -23.259 2.962 -0.061 1.00 0.00 H new ATOM 0 HA ILE B 99 -26.010 3.012 0.912 1.00 0.00 H new ATOM 0 HB ILE B 99 -24.076 5.242 0.198 1.00 0.00 H new ATOM 0 HG12 ILE B 99 -23.256 3.951 2.086 1.00 0.00 H new ATOM 0 HG13 ILE B 99 -23.830 5.512 2.636 1.00 0.00 H new ATOM 0 HG21 ILE B 99 -25.639 6.689 1.442 1.00 0.00 H new ATOM 0 HG22 ILE B 99 -26.412 5.949 0.020 1.00 0.00 H new ATOM 0 HG23 ILE B 99 -26.745 5.309 1.647 1.00 0.00 H new ATOM 0 HD11 ILE B 99 -24.505 3.739 4.177 1.00 0.00 H new ATOM 0 HD12 ILE B 99 -25.932 4.480 3.415 1.00 0.00 H new ATOM 0 HD13 ILE B 99 -25.349 2.894 2.857 1.00 0.00 H new ATOM 1791 N PRO B 100 -27.094 3.182 -1.369 1.00 0.00 N ATOM 1792 CA PRO B 100 -27.767 3.320 -2.660 1.00 0.00 C ATOM 1793 C PRO B 100 -28.457 4.670 -2.807 1.00 0.00 C ATOM 1794 O PRO B 100 -28.789 5.098 -3.913 1.00 0.00 O ATOM 1795 CB PRO B 100 -28.795 2.191 -2.625 1.00 0.00 C ATOM 1796 CG PRO B 100 -29.139 2.038 -1.183 1.00 0.00 C ATOM 1797 CD PRO B 100 -27.897 2.399 -0.408 1.00 0.00 C ATOM 0 HA PRO B 100 -27.075 3.265 -3.501 1.00 0.00 H new ATOM 0 HB2 PRO B 100 -29.675 2.438 -3.218 1.00 0.00 H new ATOM 0 HB3 PRO B 100 -28.384 1.268 -3.034 1.00 0.00 H new ATOM 0 HG2 PRO B 100 -29.970 2.689 -0.911 1.00 0.00 H new ATOM 0 HG3 PRO B 100 -29.450 1.016 -0.964 1.00 0.00 H new ATOM 0 HD2 PRO B 100 -28.136 2.982 0.481 1.00 0.00 H new ATOM 0 HD3 PRO B 100 -27.363 1.510 -0.072 1.00 0.00 H new ATOM 1805 N LYS B 101 -28.661 5.336 -1.681 1.00 0.00 N ATOM 1806 CA LYS B 101 -29.324 6.624 -1.666 1.00 0.00 C ATOM 1807 C LYS B 101 -28.292 7.748 -1.731 1.00 0.00 C ATOM 1808 O LYS B 101 -27.952 8.325 -0.677 1.00 0.00 O ATOM 1809 CB LYS B 101 -30.218 6.751 -0.420 1.00 0.00 C ATOM 1810 CG LYS B 101 -29.539 6.347 0.887 1.00 0.00 C ATOM 1811 CD LYS B 101 -30.459 6.531 2.089 1.00 0.00 C ATOM 1812 CE LYS B 101 -31.680 5.627 2.016 1.00 0.00 C ATOM 1813 NZ LYS B 101 -32.534 5.745 3.231 1.00 0.00 N1+ ATOM 1814 OXT LYS B 101 -27.802 8.030 -2.842 1.00 0.00 O ATOM 0 H LYS B 101 -28.374 5.000 -0.762 1.00 0.00 H new ATOM 0 HA LYS B 101 -29.965 6.706 -2.544 1.00 0.00 H new ATOM 0 HB2 LYS B 101 -30.558 7.783 -0.335 1.00 0.00 H new ATOM 0 HB3 LYS B 101 -31.106 6.134 -0.560 1.00 0.00 H new ATOM 0 HG2 LYS B 101 -29.226 5.305 0.826 1.00 0.00 H new ATOM 0 HG3 LYS B 101 -28.637 6.943 1.026 1.00 0.00 H new ATOM 0 HD2 LYS B 101 -29.906 6.320 3.004 1.00 0.00 H new ATOM 0 HD3 LYS B 101 -30.781 7.571 2.143 1.00 0.00 H new ATOM 0 HE2 LYS B 101 -32.267 5.881 1.134 1.00 0.00 H new ATOM 0 HE3 LYS B 101 -31.359 4.592 1.898 1.00 0.00 H new ATOM 0 HZ1 LYS B 101 -33.355 5.113 3.141 1.00 0.00 H new ATOM 0 HZ2 LYS B 101 -31.982 5.478 4.071 1.00 0.00 H new ATOM 0 HZ3 LYS B 101 -32.862 6.727 3.331 1.00 0.00 H new TER 1828 LYS B 101