USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 673 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 THR OG1 : rot -18:sc= 0.271 USER MOD Set 1.2: A 92 GLN : amide:sc= 0.125 K(o=0.4,f=-2.4) USER MOD Set 2.1: A 4 SER OG : rot 121:sc= 0.424 USER MOD Set 2.2: A 71 GLN : amide:sc= -1.4! C(o=-0.97!,f=-1.3!) USER MOD Set 3.1: A 44 SER OG : rot -13:sc= 0.68 USER MOD Set 3.2: A 66 SER OG : rot -24:sc= -1.21 USER MOD Set 4.1: A 51 HIS : no HD1:sc= -4.26! C(o=-7!,f=-7.4!) USER MOD Set 4.2: A 54 HIS : no HD1:sc= -2.73 K(o=-7,f=-7.5) USER MOD Set 5.1: A 46 CYS SG : rot 52:sc= 0.996 USER MOD Set 5.2: A 70 MET CE :methyl 178:sc= -7.2! (180deg=-7.31!) USER MOD Set 6.1: A 10 THR OG1 : rot 121:sc= -2.82 USER MOD Set 6.2: A 81 MET CE :methyl -128:sc= -5.62 (180deg=-8.88!) USER MOD Set 7.1: A 6 SER OG : rot 158:sc= -0.468 USER MOD Set 7.2: A 57 MET CE :methyl 161:sc= -8.44! (180deg=-7.06!) USER MOD Single : A 1 MET CE :methyl -148:sc= -0.457 (180deg=-2.01!) USER MOD Single : A 1 MET N :NH3+ 178:sc= -1.29 (180deg=-1.36) USER MOD Single : A 7 HIS :FLIP no HD1:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 12 SER OG : rot -58:sc= 1.09 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -4.78! C(o=-4.8!,f=-6!) USER MOD Single : A 21 CYS SG : rot 148:sc= -1.89 USER MOD Single : A 22 LYS NZ :NH3+ 179:sc= 0 (180deg=-2.32e-05) USER MOD Single : A 23 HIS :FLIP no HD1:sc= -0.0848 F(o=-0.65,f=-0.085) USER MOD Single : A 26 HIS :FLIP no HD1:sc= -0.21 F(o=-1.4,f=-0.21) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -4.21 K(o=-4.2,f=-5.1!) USER MOD Single : A 60 ASN : amide:sc= -1.61 K(o=-1.6,f=-8!) USER MOD Single : A 61 SER OG : rot -72:sc= -6.41! USER MOD Single : A 69 HIS : no HE2:sc= -0.0202 K(o=-0.02,f=-3.1!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -3.38 K(o=-3.4,f=-4.3!) USER MOD Single : A 79 GLN : amide:sc= -2.55! C(o=-2.5!,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.475 15.237 -5.765 1.00 0.00 N ATOM 2 CA MET A 1 6.975 14.289 -4.732 1.00 0.00 C ATOM 3 C MET A 1 5.545 14.615 -4.325 1.00 0.00 C ATOM 4 O MET A 1 5.294 15.403 -3.414 1.00 0.00 O ATOM 5 CB MET A 1 7.919 14.324 -3.530 1.00 0.00 C ATOM 6 CG MET A 1 7.947 15.658 -2.802 1.00 0.00 C ATOM 7 SD MET A 1 9.459 16.590 -3.113 1.00 0.00 S ATOM 8 CE MET A 1 10.702 15.377 -2.675 1.00 0.00 C ATOM 0 H1 MET A 1 8.463 15.009 -5.996 1.00 0.00 H new ATOM 0 H2 MET A 1 6.891 15.156 -6.622 1.00 0.00 H new ATOM 0 H3 MET A 1 7.421 16.209 -5.399 1.00 0.00 H new ATOM 0 HA MET A 1 6.959 13.281 -5.147 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.624 13.545 -2.827 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.928 14.085 -3.867 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.088 16.254 -3.111 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.846 15.485 -1.731 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.576 15.883 -2.266 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.297 14.694 -1.929 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.990 14.815 -3.563 1.00 0.00 H new ATOM 17 N PHE A 2 4.611 13.976 -5.010 1.00 0.00 N ATOM 18 CA PHE A 2 3.187 14.155 -4.744 1.00 0.00 C ATOM 19 C PHE A 2 2.711 13.050 -3.808 1.00 0.00 C ATOM 20 O PHE A 2 3.456 12.103 -3.551 1.00 0.00 O ATOM 21 CB PHE A 2 2.379 14.137 -6.051 1.00 0.00 C ATOM 22 CG PHE A 2 3.179 14.468 -7.279 1.00 0.00 C ATOM 23 CD1 PHE A 2 3.689 15.744 -7.465 1.00 0.00 C ATOM 24 CD2 PHE A 2 3.406 13.511 -8.255 1.00 0.00 C ATOM 25 CE1 PHE A 2 4.413 16.056 -8.599 1.00 0.00 C ATOM 26 CE2 PHE A 2 4.127 13.820 -9.392 1.00 0.00 C ATOM 27 CZ PHE A 2 4.632 15.093 -9.564 1.00 0.00 C ATOM 0 H PHE A 2 4.814 13.320 -5.764 1.00 0.00 H new ATOM 0 HA PHE A 2 3.032 15.125 -4.271 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.935 13.149 -6.176 1.00 0.00 H new ATOM 0 HB3 PHE A 2 1.557 14.847 -5.965 1.00 0.00 H new ATOM 0 HD1 PHE A 2 3.518 16.502 -6.715 1.00 0.00 H new ATOM 0 HD2 PHE A 2 3.015 12.513 -8.125 1.00 0.00 H new ATOM 0 HE1 PHE A 2 4.808 17.053 -8.731 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.296 13.066 -10.146 1.00 0.00 H new ATOM 0 HZ PHE A 2 5.197 15.335 -10.452 1.00 0.00 H new ATOM 37 N ARG A 3 1.487 13.149 -3.293 1.00 0.00 N ATOM 38 CA ARG A 3 0.997 12.112 -2.392 1.00 0.00 C ATOM 39 C ARG A 3 -0.519 11.916 -2.489 1.00 0.00 C ATOM 40 O ARG A 3 -1.296 12.854 -2.307 1.00 0.00 O ATOM 41 CB ARG A 3 1.404 12.400 -0.938 1.00 0.00 C ATOM 42 CG ARG A 3 2.201 11.266 -0.314 1.00 0.00 C ATOM 43 CD ARG A 3 3.680 11.603 -0.202 1.00 0.00 C ATOM 44 NE ARG A 3 4.175 11.442 1.162 1.00 0.00 N ATOM 45 CZ ARG A 3 5.371 11.862 1.571 1.00 0.00 C ATOM 46 NH1 ARG A 3 6.195 12.467 0.724 1.00 0.00 N ATOM 47 NH2 ARG A 3 5.743 11.676 2.829 1.00 0.00 N ATOM 0 H ARG A 3 0.835 13.912 -3.477 1.00 0.00 H new ATOM 0 HA ARG A 3 1.467 11.182 -2.712 1.00 0.00 H new ATOM 0 HB2 ARG A 3 1.996 13.315 -0.906 1.00 0.00 H new ATOM 0 HB3 ARG A 3 0.508 12.579 -0.343 1.00 0.00 H new ATOM 0 HG2 ARG A 3 1.803 11.046 0.677 1.00 0.00 H new ATOM 0 HG3 ARG A 3 2.079 10.364 -0.914 1.00 0.00 H new ATOM 0 HD2 ARG A 3 4.250 10.961 -0.873 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.844 12.630 -0.528 1.00 0.00 H new ATOM 0 HE ARG A 3 3.570 10.981 1.841 1.00 0.00 H new ATOM 0 HH11 ARG A 3 5.913 12.612 -0.246 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.110 12.787 1.043 1.00 0.00 H new ATOM 0 HH21 ARG A 3 5.114 11.211 3.484 1.00 0.00 H new ATOM 0 HH22 ARG A 3 6.659 11.997 3.143 1.00 0.00 H new ATOM 61 N SER A 4 -0.916 10.670 -2.753 1.00 0.00 N ATOM 62 CA SER A 4 -2.319 10.282 -2.858 1.00 0.00 C ATOM 63 C SER A 4 -2.641 9.299 -1.741 1.00 0.00 C ATOM 64 O SER A 4 -1.731 8.730 -1.138 1.00 0.00 O ATOM 65 CB SER A 4 -2.590 9.632 -4.224 1.00 0.00 C ATOM 66 OG SER A 4 -3.565 8.605 -4.121 1.00 0.00 O ATOM 0 H SER A 4 -0.266 9.898 -2.901 1.00 0.00 H new ATOM 0 HA SER A 4 -2.950 11.166 -2.766 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.930 10.390 -4.929 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.664 9.219 -4.623 1.00 0.00 H new ATOM 0 HG SER A 4 -4.329 8.820 -4.696 1.00 0.00 H new ATOM 72 N THR A 5 -3.921 9.089 -1.458 1.00 0.00 N ATOM 73 CA THR A 5 -4.288 8.156 -0.399 1.00 0.00 C ATOM 74 C THR A 5 -5.583 7.407 -0.702 1.00 0.00 C ATOM 75 O THR A 5 -6.610 8.012 -1.009 1.00 0.00 O ATOM 76 CB THR A 5 -4.413 8.880 0.950 1.00 0.00 C ATOM 77 OG1 THR A 5 -5.573 9.691 0.974 1.00 0.00 O ATOM 78 CG2 THR A 5 -3.229 9.770 1.299 1.00 0.00 C ATOM 0 H THR A 5 -4.704 9.538 -1.932 1.00 0.00 H new ATOM 0 HA THR A 5 -3.485 7.421 -0.344 1.00 0.00 H new ATOM 0 HB THR A 5 -4.460 8.079 1.688 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.885 9.844 0.057 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.401 10.242 2.266 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.322 9.167 1.345 1.00 0.00 H new ATOM 0 HG23 THR A 5 -3.115 10.539 0.535 1.00 0.00 H new ATOM 86 N SER A 6 -5.522 6.081 -0.590 1.00 0.00 N ATOM 87 CA SER A 6 -6.689 5.233 -0.827 1.00 0.00 C ATOM 88 C SER A 6 -7.172 4.600 0.482 1.00 0.00 C ATOM 89 O SER A 6 -6.383 4.024 1.229 1.00 0.00 O ATOM 90 CB SER A 6 -6.353 4.136 -1.841 1.00 0.00 C ATOM 91 OG SER A 6 -7.519 3.441 -2.246 1.00 0.00 O ATOM 0 H SER A 6 -4.676 5.570 -0.336 1.00 0.00 H new ATOM 0 HA SER A 6 -7.487 5.857 -1.229 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.868 4.578 -2.712 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.643 3.436 -1.402 1.00 0.00 H new ATOM 0 HG SER A 6 -7.360 3.012 -3.113 1.00 0.00 H new ATOM 97 N HIS A 7 -8.472 4.717 0.754 1.00 0.00 N ATOM 98 CA HIS A 7 -9.056 4.158 1.980 1.00 0.00 C ATOM 99 C HIS A 7 -10.043 3.032 1.659 1.00 0.00 C ATOM 100 O HIS A 7 -10.924 3.191 0.815 1.00 0.00 O ATOM 101 CB HIS A 7 -9.760 5.258 2.781 1.00 0.00 C ATOM 102 CG HIS A 7 -9.907 4.946 4.240 1.00 0.00 C ATOM 103 ND1 HIS A 7 -10.089 3.768 4.885 1.00 0.00 N flip ATOM 104 CD2 HIS A 7 -9.880 5.916 5.220 1.00 0.00 C flip ATOM 105 CE1 HIS A 7 -10.165 4.047 6.227 1.00 0.00 C flip ATOM 106 NE2 HIS A 7 -10.036 5.349 6.403 1.00 0.00 N flip ATOM 0 H HIS A 7 -9.141 5.191 0.147 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.246 3.741 2.578 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.201 6.187 2.673 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -10.748 5.429 2.354 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -9.751 6.974 5.047 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -10.307 3.319 7.012 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -10.054 5.835 7.300 1.00 0.00 H new ATOM 115 N VAL A 8 -9.887 1.892 2.336 1.00 0.00 N ATOM 116 CA VAL A 8 -10.762 0.739 2.117 1.00 0.00 C ATOM 117 C VAL A 8 -11.103 0.048 3.434 1.00 0.00 C ATOM 118 O VAL A 8 -10.322 0.101 4.385 1.00 0.00 O ATOM 119 CB VAL A 8 -10.111 -0.293 1.171 1.00 0.00 C ATOM 120 CG1 VAL A 8 -11.166 -1.182 0.528 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.268 0.399 0.108 1.00 0.00 C ATOM 0 H VAL A 8 -9.164 1.743 3.040 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.674 1.121 1.659 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.452 -0.925 1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.682 -1.900 -0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.714 -1.716 1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.858 -0.567 -0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.820 -0.350 -0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.899 1.064 -0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.480 0.979 0.589 1.00 0.00 H new ATOM 131 N ARG A 9 -12.252 -0.628 3.486 1.00 0.00 N ATOM 132 CA ARG A 9 -12.638 -1.343 4.705 1.00 0.00 C ATOM 133 C ARG A 9 -12.311 -2.832 4.565 1.00 0.00 C ATOM 134 O ARG A 9 -12.982 -3.560 3.834 1.00 0.00 O ATOM 135 CB ARG A 9 -14.128 -1.156 5.018 1.00 0.00 C ATOM 136 CG ARG A 9 -14.402 0.007 5.958 1.00 0.00 C ATOM 137 CD ARG A 9 -14.097 1.342 5.297 1.00 0.00 C ATOM 138 NE ARG A 9 -14.810 2.445 5.938 1.00 0.00 N ATOM 139 CZ ARG A 9 -16.109 2.682 5.776 1.00 0.00 C ATOM 140 NH1 ARG A 9 -16.842 1.897 4.996 1.00 0.00 N ATOM 141 NH2 ARG A 9 -16.679 3.706 6.396 1.00 0.00 N ATOM 0 H ARG A 9 -12.919 -0.696 2.717 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.068 -0.925 5.535 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.671 -0.997 4.086 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.517 -2.072 5.462 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.446 -0.015 6.271 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.797 -0.101 6.858 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.024 1.531 5.339 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.372 1.296 4.243 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.280 3.070 6.546 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -16.410 1.107 4.517 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -17.838 2.084 4.876 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.121 4.312 6.997 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -17.675 3.887 6.271 1.00 0.00 H new ATOM 155 N THR A 10 -11.261 -3.270 5.262 1.00 0.00 N ATOM 156 CA THR A 10 -10.820 -4.665 5.211 1.00 0.00 C ATOM 157 C THR A 10 -10.627 -5.256 6.613 1.00 0.00 C ATOM 158 O THR A 10 -10.403 -4.525 7.572 1.00 0.00 O ATOM 159 CB THR A 10 -9.531 -4.773 4.401 1.00 0.00 C ATOM 160 OG1 THR A 10 -9.666 -5.740 3.376 1.00 0.00 O ATOM 161 CG2 THR A 10 -8.331 -5.152 5.233 1.00 0.00 C ATOM 0 H THR A 10 -10.698 -2.676 5.871 1.00 0.00 H new ATOM 0 HA THR A 10 -11.602 -5.246 4.722 1.00 0.00 H new ATOM 0 HB THR A 10 -9.364 -3.778 3.988 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.516 -5.317 2.505 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.450 -5.211 4.595 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.171 -4.399 6.004 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.505 -6.120 5.702 1.00 0.00 H new ATOM 169 N GLU A 11 -10.688 -6.581 6.721 1.00 0.00 N ATOM 170 CA GLU A 11 -10.493 -7.253 8.008 1.00 0.00 C ATOM 171 C GLU A 11 -9.112 -7.924 8.095 1.00 0.00 C ATOM 172 O GLU A 11 -8.597 -8.432 7.100 1.00 0.00 O ATOM 173 CB GLU A 11 -11.590 -8.294 8.223 1.00 0.00 C ATOM 174 CG GLU A 11 -12.447 -8.010 9.441 1.00 0.00 C ATOM 175 CD GLU A 11 -13.930 -8.015 9.129 1.00 0.00 C ATOM 176 OE1 GLU A 11 -14.336 -8.721 8.182 1.00 0.00 O ATOM 177 OE2 GLU A 11 -14.688 -7.312 9.831 1.00 0.00 O ATOM 0 H GLU A 11 -10.870 -7.210 5.939 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.547 -6.496 8.790 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.226 -8.331 7.339 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.133 -9.278 8.329 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.239 -8.756 10.208 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.171 -7.041 9.856 1.00 0.00 H new ATOM 184 N SER A 12 -8.522 -7.928 9.301 1.00 0.00 N ATOM 185 CA SER A 12 -7.211 -8.541 9.523 1.00 0.00 C ATOM 186 C SER A 12 -6.146 -7.920 8.624 1.00 0.00 C ATOM 187 O SER A 12 -5.151 -8.556 8.279 1.00 0.00 O ATOM 188 CB SER A 12 -7.289 -10.048 9.301 1.00 0.00 C ATOM 189 OG SER A 12 -5.997 -10.630 9.254 1.00 0.00 O ATOM 0 H SER A 12 -8.936 -7.512 10.135 1.00 0.00 H new ATOM 0 HA SER A 12 -6.921 -8.352 10.557 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.868 -10.506 10.103 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.817 -10.254 8.370 1.00 0.00 H new ATOM 0 HG SER A 12 -5.474 -10.209 8.540 1.00 0.00 H new ATOM 195 N ALA A 13 -6.375 -6.672 8.256 1.00 0.00 N ATOM 196 CA ALA A 13 -5.450 -5.925 7.392 1.00 0.00 C ATOM 197 C ALA A 13 -4.003 -5.962 7.884 1.00 0.00 C ATOM 198 O ALA A 13 -3.087 -6.294 7.131 1.00 0.00 O ATOM 199 CB ALA A 13 -5.894 -4.478 7.294 1.00 0.00 C ATOM 0 H ALA A 13 -7.199 -6.142 8.540 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.478 -6.411 6.417 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.205 -3.929 6.652 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.898 -4.433 6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.899 -4.031 8.288 1.00 0.00 H new ATOM 205 N ALA A 14 -3.805 -5.556 9.129 1.00 0.00 N ATOM 206 CA ALA A 14 -2.464 -5.466 9.725 1.00 0.00 C ATOM 207 C ALA A 14 -1.542 -6.640 9.378 1.00 0.00 C ATOM 208 O ALA A 14 -0.321 -6.475 9.364 1.00 0.00 O ATOM 209 CB ALA A 14 -2.588 -5.308 11.228 1.00 0.00 C ATOM 0 H ALA A 14 -4.559 -5.279 9.758 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.988 -4.588 9.289 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.594 -5.241 11.670 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.147 -4.400 11.453 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.112 -6.169 11.642 1.00 0.00 H new ATOM 215 N ARG A 15 -2.095 -7.816 9.100 1.00 0.00 N ATOM 216 CA ARG A 15 -1.266 -8.967 8.761 1.00 0.00 C ATOM 217 C ARG A 15 -0.844 -8.928 7.303 1.00 0.00 C ATOM 218 O ARG A 15 0.307 -9.222 6.975 1.00 0.00 O ATOM 219 CB ARG A 15 -2.002 -10.271 9.073 1.00 0.00 C ATOM 220 CG ARG A 15 -1.079 -11.472 9.167 1.00 0.00 C ATOM 221 CD ARG A 15 -0.593 -11.926 7.798 1.00 0.00 C ATOM 222 NE ARG A 15 -1.332 -13.093 7.318 1.00 0.00 N ATOM 223 CZ ARG A 15 -1.569 -13.352 6.033 1.00 0.00 C ATOM 224 NH1 ARG A 15 -1.108 -12.541 5.087 1.00 0.00 N ATOM 225 NH2 ARG A 15 -2.263 -14.429 5.692 1.00 0.00 N ATOM 0 H ARG A 15 -3.099 -7.996 9.102 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.365 -8.923 9.373 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.540 -10.160 10.014 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.747 -10.454 8.299 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.221 -11.222 9.792 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.602 -12.293 9.657 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.701 -11.109 7.085 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.469 -12.165 7.850 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.689 -13.751 8.011 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.569 -11.714 5.343 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.293 -12.746 4.105 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.615 -15.058 6.413 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.445 -14.628 4.708 1.00 0.00 H new ATOM 239 N TYR A 16 -1.761 -8.546 6.429 1.00 0.00 N ATOM 240 CA TYR A 16 -1.445 -8.459 5.007 1.00 0.00 C ATOM 241 C TYR A 16 -0.341 -7.431 4.800 1.00 0.00 C ATOM 242 O TYR A 16 0.396 -7.507 3.826 1.00 0.00 O ATOM 243 CB TYR A 16 -2.686 -8.127 4.166 1.00 0.00 C ATOM 244 CG TYR A 16 -3.843 -9.123 4.287 1.00 0.00 C ATOM 245 CD1 TYR A 16 -3.657 -10.450 4.703 1.00 0.00 C ATOM 246 CD2 TYR A 16 -5.140 -8.722 3.985 1.00 0.00 C ATOM 247 CE1 TYR A 16 -4.726 -11.320 4.813 1.00 0.00 C ATOM 248 CE2 TYR A 16 -6.208 -9.592 4.094 1.00 0.00 C ATOM 249 CZ TYR A 16 -5.996 -10.886 4.510 1.00 0.00 C ATOM 250 OH TYR A 16 -7.060 -11.752 4.620 1.00 0.00 O ATOM 0 H TYR A 16 -2.719 -8.294 6.671 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.094 -9.433 4.666 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.047 -7.140 4.454 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.389 -8.065 3.119 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.663 -10.798 4.941 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.316 -7.708 3.658 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.564 -12.338 5.136 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.206 -9.257 3.853 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.886 -11.288 4.370 1.00 0.00 H new ATOM 260 N VAL A 17 -0.203 -6.494 5.745 1.00 0.00 N ATOM 261 CA VAL A 17 0.857 -5.487 5.669 1.00 0.00 C ATOM 262 C VAL A 17 2.167 -6.082 6.173 1.00 0.00 C ATOM 263 O VAL A 17 3.235 -5.818 5.620 1.00 0.00 O ATOM 264 CB VAL A 17 0.525 -4.199 6.480 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.785 -3.502 6.991 1.00 0.00 C ATOM 266 CG2 VAL A 17 -0.270 -3.229 5.633 1.00 0.00 C ATOM 0 H VAL A 17 -0.807 -6.413 6.563 1.00 0.00 H new ATOM 0 HA VAL A 17 0.947 -5.196 4.623 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.066 -4.511 7.341 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.505 -2.609 7.551 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.337 -4.180 7.642 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.412 -3.219 6.146 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.493 -2.335 6.216 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.311 -2.953 4.753 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.202 -3.699 5.319 1.00 0.00 H new ATOM 276 N ASN A 18 2.080 -6.874 7.237 1.00 0.00 N ATOM 277 CA ASN A 18 3.260 -7.489 7.825 1.00 0.00 C ATOM 278 C ASN A 18 3.828 -8.601 6.945 1.00 0.00 C ATOM 279 O ASN A 18 5.037 -8.827 6.934 1.00 0.00 O ATOM 280 CB ASN A 18 2.932 -8.041 9.214 1.00 0.00 C ATOM 281 CG ASN A 18 2.326 -6.993 10.124 1.00 0.00 C ATOM 282 OD1 ASN A 18 2.619 -5.804 10.003 1.00 0.00 O ATOM 283 ND2 ASN A 18 1.473 -7.430 11.044 1.00 0.00 N ATOM 0 H ASN A 18 1.205 -7.104 7.708 1.00 0.00 H new ATOM 0 HA ASN A 18 4.021 -6.713 7.909 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.239 -8.877 9.115 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.841 -8.432 9.670 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.032 -6.770 11.685 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.259 -8.425 11.109 1.00 0.00 H new ATOM 290 N ARG A 19 2.962 -9.306 6.220 1.00 0.00 N ATOM 291 CA ARG A 19 3.416 -10.396 5.365 1.00 0.00 C ATOM 292 C ARG A 19 4.064 -9.886 4.078 1.00 0.00 C ATOM 293 O ARG A 19 4.784 -10.624 3.409 1.00 0.00 O ATOM 294 CB ARG A 19 2.249 -11.325 5.031 1.00 0.00 C ATOM 295 CG ARG A 19 2.626 -12.796 5.078 1.00 0.00 C ATOM 296 CD ARG A 19 1.868 -13.538 6.167 1.00 0.00 C ATOM 297 NE ARG A 19 1.836 -14.978 5.928 1.00 0.00 N ATOM 298 CZ ARG A 19 2.853 -15.796 6.189 1.00 0.00 C ATOM 299 NH1 ARG A 19 3.983 -15.319 6.696 1.00 0.00 N ATOM 300 NH2 ARG A 19 2.740 -17.094 5.941 1.00 0.00 N ATOM 0 H ARG A 19 1.955 -9.144 6.208 1.00 0.00 H new ATOM 0 HA ARG A 19 4.176 -10.949 5.918 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.435 -11.142 5.732 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.874 -11.084 4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.417 -13.256 4.112 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.698 -12.891 5.252 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.335 -13.341 7.132 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.848 -13.157 6.223 1.00 0.00 H new ATOM 0 HE ARG A 19 0.984 -15.381 5.538 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.075 -14.321 6.887 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.759 -15.950 6.894 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.874 -17.465 5.550 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.519 -17.721 6.141 1.00 0.00 H new ATOM 314 N LEU A 20 3.797 -8.634 3.728 1.00 0.00 N ATOM 315 CA LEU A 20 4.354 -8.052 2.507 1.00 0.00 C ATOM 316 C LEU A 20 5.862 -7.850 2.602 1.00 0.00 C ATOM 317 O LEU A 20 6.599 -8.215 1.686 1.00 0.00 O ATOM 318 CB LEU A 20 3.687 -6.716 2.190 1.00 0.00 C ATOM 319 CG LEU A 20 2.180 -6.772 1.940 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.714 -5.477 1.293 1.00 0.00 C ATOM 321 CD2 LEU A 20 1.794 -7.963 1.062 1.00 0.00 C ATOM 0 H LEU A 20 3.203 -8.003 4.266 1.00 0.00 H new ATOM 0 HA LEU A 20 4.154 -8.762 1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.875 -6.032 3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.168 -6.291 1.309 1.00 0.00 H new ATOM 0 HG LEU A 20 1.688 -6.898 2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.639 -5.524 1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.938 -4.639 1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.231 -5.338 0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.715 -7.967 0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.298 -7.883 0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.094 -8.889 1.553 1.00 0.00 H new ATOM 333 N CYS A 21 6.324 -7.258 3.701 1.00 0.00 N ATOM 334 CA CYS A 21 7.751 -7.010 3.873 1.00 0.00 C ATOM 335 C CYS A 21 8.537 -8.308 3.756 1.00 0.00 C ATOM 336 O CYS A 21 9.657 -8.329 3.250 1.00 0.00 O ATOM 337 CB CYS A 21 8.031 -6.325 5.216 1.00 0.00 C ATOM 338 SG CYS A 21 7.284 -4.686 5.369 1.00 0.00 S ATOM 0 H CYS A 21 5.739 -6.945 4.476 1.00 0.00 H new ATOM 0 HA CYS A 21 8.077 -6.338 3.079 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.660 -6.959 6.021 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.109 -6.237 5.350 1.00 0.00 H new ATOM 0 HG CYS A 21 6.963 -4.469 6.610 1.00 0.00 H new ATOM 344 N LYS A 22 7.931 -9.395 4.205 1.00 0.00 N ATOM 345 CA LYS A 22 8.561 -10.703 4.128 1.00 0.00 C ATOM 346 C LYS A 22 8.329 -11.328 2.750 1.00 0.00 C ATOM 347 O LYS A 22 9.045 -12.242 2.342 1.00 0.00 O ATOM 348 CB LYS A 22 8.013 -11.616 5.224 1.00 0.00 C ATOM 349 CG LYS A 22 8.175 -11.045 6.627 1.00 0.00 C ATOM 350 CD LYS A 22 6.902 -11.199 7.443 1.00 0.00 C ATOM 351 CE LYS A 22 6.645 -12.652 7.809 1.00 0.00 C ATOM 352 NZ LYS A 22 7.515 -13.104 8.930 1.00 0.00 N ATOM 0 H LYS A 22 7.002 -9.397 4.627 1.00 0.00 H new ATOM 0 HA LYS A 22 9.634 -10.582 4.276 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.956 -11.802 5.036 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.521 -12.579 5.171 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.997 -11.551 7.134 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.442 -9.990 6.563 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.977 -10.602 8.352 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.056 -10.811 6.876 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.599 -12.777 8.088 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.819 -13.282 6.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.297 -14.094 9.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.513 -13.025 8.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.343 -12.508 9.765 1.00 0.00 H new ATOM 366 N HIS A 23 7.309 -10.833 2.044 1.00 0.00 N ATOM 367 CA HIS A 23 6.959 -11.341 0.723 1.00 0.00 C ATOM 368 C HIS A 23 7.777 -10.684 -0.385 1.00 0.00 C ATOM 369 O HIS A 23 8.506 -11.363 -1.108 1.00 0.00 O ATOM 370 CB HIS A 23 5.468 -11.130 0.456 1.00 0.00 C ATOM 371 CG HIS A 23 4.948 -11.935 -0.695 1.00 0.00 C ATOM 372 ND1 HIS A 23 5.463 -12.155 -1.928 1.00 0.00 N flip ATOM 373 CD2 HIS A 23 3.756 -12.630 -0.650 1.00 0.00 C flip ATOM 374 CE1 HIS A 23 4.582 -12.969 -2.597 1.00 0.00 C flip ATOM 375 NE2 HIS A 23 3.563 -13.242 -1.805 1.00 0.00 N flip ATOM 0 H HIS A 23 6.710 -10.076 2.372 1.00 0.00 H new ATOM 0 HA HIS A 23 7.190 -12.406 0.717 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.906 -11.389 1.353 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.288 -10.073 0.261 1.00 0.00 H new ATOM 0 HD2 HIS A 23 3.086 -12.668 0.196 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.704 -13.328 -3.608 1.00 0.00 H new ATOM 0 HE2 HIS A 23 2.762 -13.826 -2.044 1.00 0.00 H new ATOM 384 N TRP A 24 7.640 -9.365 -0.537 1.00 0.00 N ATOM 385 CA TRP A 24 8.361 -8.656 -1.586 1.00 0.00 C ATOM 386 C TRP A 24 9.752 -8.223 -1.122 1.00 0.00 C ATOM 387 O TRP A 24 10.579 -7.817 -1.939 1.00 0.00 O ATOM 388 CB TRP A 24 7.556 -7.443 -2.049 1.00 0.00 C ATOM 389 CG TRP A 24 6.254 -7.807 -2.695 1.00 0.00 C ATOM 390 CD1 TRP A 24 5.029 -7.862 -2.096 1.00 0.00 C ATOM 391 CD2 TRP A 24 6.049 -8.167 -4.066 1.00 0.00 C ATOM 392 NE1 TRP A 24 4.074 -8.235 -3.011 1.00 0.00 N ATOM 393 CE2 TRP A 24 4.675 -8.428 -4.227 1.00 0.00 C ATOM 394 CE3 TRP A 24 6.893 -8.293 -5.173 1.00 0.00 C ATOM 395 CZ2 TRP A 24 4.127 -8.806 -5.450 1.00 0.00 C ATOM 396 CZ3 TRP A 24 6.348 -8.669 -6.386 1.00 0.00 C ATOM 397 CH2 TRP A 24 4.976 -8.922 -6.516 1.00 0.00 C ATOM 0 H TRP A 24 7.044 -8.777 0.046 1.00 0.00 H new ATOM 0 HA TRP A 24 8.491 -9.342 -2.423 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.361 -6.797 -1.193 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.155 -6.866 -2.754 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.838 -7.644 -1.056 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.079 -8.350 -2.816 1.00 0.00 H new ATOM 0 HE3 TRP A 24 7.952 -8.100 -5.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.070 -9.001 -5.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 6.990 -8.770 -7.248 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.581 -9.215 -7.478 1.00 0.00 H new ATOM 408 N GLY A 25 10.015 -8.309 0.185 1.00 0.00 N ATOM 409 CA GLY A 25 11.316 -7.922 0.699 1.00 0.00 C ATOM 410 C GLY A 25 12.414 -8.875 0.272 1.00 0.00 C ATOM 411 O GLY A 25 13.018 -9.548 1.106 1.00 0.00 O ATOM 0 H GLY A 25 9.354 -8.637 0.889 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.556 -6.917 0.352 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.276 -7.883 1.788 1.00 0.00 H new ATOM 415 N HIS A 26 12.673 -8.933 -1.028 1.00 0.00 N ATOM 416 CA HIS A 26 13.704 -9.814 -1.562 1.00 0.00 C ATOM 417 C HIS A 26 14.894 -9.011 -2.078 1.00 0.00 C ATOM 418 O HIS A 26 16.017 -9.514 -2.126 1.00 0.00 O ATOM 419 CB HIS A 26 13.129 -10.693 -2.679 1.00 0.00 C ATOM 420 CG HIS A 26 12.938 -9.979 -3.984 1.00 0.00 C ATOM 421 ND1 HIS A 26 12.487 -8.730 -4.258 1.00 0.00 N flip ATOM 422 CD2 HIS A 26 13.225 -10.554 -5.204 1.00 0.00 C flip ATOM 423 CE1 HIS A 26 12.510 -8.579 -5.621 1.00 0.00 C flip ATOM 424 NE2 HIS A 26 12.960 -9.692 -6.169 1.00 0.00 N flip ATOM 0 H HIS A 26 12.184 -8.381 -1.732 1.00 0.00 H new ATOM 0 HA HIS A 26 14.053 -10.457 -0.754 1.00 0.00 H new ATOM 0 HB2 HIS A 26 13.793 -11.543 -2.836 1.00 0.00 H new ATOM 0 HB3 HIS A 26 12.169 -11.094 -2.353 1.00 0.00 H new ATOM 0 HD2 HIS A 26 13.607 -11.554 -5.348 1.00 0.00 H new ATOM 0 HE1 HIS A 26 12.209 -7.692 -6.159 1.00 0.00 H new ATOM 0 HE2 HIS A 26 13.082 -9.858 -7.168 1.00 0.00 H new ATOM 433 N LYS A 27 14.644 -7.766 -2.471 1.00 0.00 N ATOM 434 CA LYS A 27 15.710 -6.910 -2.991 1.00 0.00 C ATOM 435 C LYS A 27 15.391 -5.432 -2.754 1.00 0.00 C ATOM 436 O LYS A 27 15.941 -4.554 -3.418 1.00 0.00 O ATOM 437 CB LYS A 27 15.901 -7.186 -4.491 1.00 0.00 C ATOM 438 CG LYS A 27 16.882 -6.254 -5.198 1.00 0.00 C ATOM 439 CD LYS A 27 16.157 -5.208 -6.032 1.00 0.00 C ATOM 440 CE LYS A 27 15.840 -5.722 -7.428 1.00 0.00 C ATOM 441 NZ LYS A 27 16.455 -4.870 -8.484 1.00 0.00 N ATOM 0 H LYS A 27 13.723 -7.329 -2.441 1.00 0.00 H new ATOM 0 HA LYS A 27 16.635 -7.139 -2.461 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.245 -8.213 -4.615 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.932 -7.112 -4.985 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.512 -5.759 -4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.542 -6.838 -5.839 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.232 -4.920 -5.531 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.772 -4.311 -6.105 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.202 -6.745 -7.530 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.759 -5.751 -7.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.216 -5.252 -9.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.090 -3.899 -8.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.488 -4.863 -8.366 1.00 0.00 H new ATOM 455 N PHE A 28 14.503 -5.155 -1.804 1.00 0.00 N ATOM 456 CA PHE A 28 14.131 -3.779 -1.505 1.00 0.00 C ATOM 457 C PHE A 28 13.980 -3.556 -0.008 1.00 0.00 C ATOM 458 O PHE A 28 13.885 -4.508 0.767 1.00 0.00 O ATOM 459 CB PHE A 28 12.844 -3.409 -2.239 1.00 0.00 C ATOM 460 CG PHE A 28 13.034 -3.287 -3.724 1.00 0.00 C ATOM 461 CD1 PHE A 28 13.565 -2.131 -4.273 1.00 0.00 C ATOM 462 CD2 PHE A 28 12.695 -4.331 -4.568 1.00 0.00 C ATOM 463 CE1 PHE A 28 13.751 -2.017 -5.637 1.00 0.00 C ATOM 464 CE2 PHE A 28 12.879 -4.224 -5.935 1.00 0.00 C ATOM 465 CZ PHE A 28 13.407 -3.065 -6.469 1.00 0.00 C ATOM 0 H PHE A 28 14.033 -5.858 -1.234 1.00 0.00 H new ATOM 0 HA PHE A 28 14.934 -3.129 -1.854 1.00 0.00 H new ATOM 0 HB2 PHE A 28 12.085 -4.165 -2.035 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.466 -2.465 -1.847 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.837 -1.309 -3.627 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.282 -5.239 -4.154 1.00 0.00 H new ATOM 0 HE1 PHE A 28 14.165 -1.110 -6.052 1.00 0.00 H new ATOM 0 HE2 PHE A 28 12.610 -5.045 -6.583 1.00 0.00 H new ATOM 0 HZ PHE A 28 13.551 -2.978 -7.536 1.00 0.00 H new ATOM 475 N GLU A 29 13.969 -2.290 0.394 1.00 0.00 N ATOM 476 CA GLU A 29 13.840 -1.944 1.804 1.00 0.00 C ATOM 477 C GLU A 29 12.387 -2.017 2.255 1.00 0.00 C ATOM 478 O GLU A 29 11.574 -1.156 1.917 1.00 0.00 O ATOM 479 CB GLU A 29 14.413 -0.548 2.078 1.00 0.00 C ATOM 480 CG GLU A 29 13.844 0.544 1.186 1.00 0.00 C ATOM 481 CD GLU A 29 14.154 1.935 1.703 1.00 0.00 C ATOM 482 OE1 GLU A 29 13.346 2.469 2.492 1.00 0.00 O ATOM 483 OE2 GLU A 29 15.206 2.490 1.321 1.00 0.00 O ATOM 0 H GLU A 29 14.047 -1.490 -0.234 1.00 0.00 H new ATOM 0 HA GLU A 29 14.413 -2.672 2.378 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.223 -0.287 3.119 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.495 -0.580 1.950 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.249 0.435 0.180 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.764 0.420 1.110 1.00 0.00 H new ATOM 490 N VAL A 30 12.065 -3.054 3.017 1.00 0.00 N ATOM 491 CA VAL A 30 10.708 -3.242 3.514 1.00 0.00 C ATOM 492 C VAL A 30 10.666 -3.172 5.039 1.00 0.00 C ATOM 493 O VAL A 30 11.188 -4.053 5.723 1.00 0.00 O ATOM 494 CB VAL A 30 10.107 -4.594 3.055 1.00 0.00 C ATOM 495 CG1 VAL A 30 9.212 -4.417 1.839 1.00 0.00 C ATOM 496 CG2 VAL A 30 11.196 -5.615 2.764 1.00 0.00 C ATOM 0 H VAL A 30 12.724 -3.777 3.304 1.00 0.00 H new ATOM 0 HA VAL A 30 10.110 -2.433 3.095 1.00 0.00 H new ATOM 0 HB VAL A 30 9.498 -4.970 3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.806 -5.384 1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.394 -3.740 2.085 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.793 -4.000 1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.740 -6.552 2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.845 -5.239 1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.784 -5.787 3.665 1.00 0.00 H new ATOM 506 N GLU A 31 10.039 -2.123 5.566 1.00 0.00 N ATOM 507 CA GLU A 31 9.926 -1.945 7.008 1.00 0.00 C ATOM 508 C GLU A 31 8.616 -2.535 7.520 1.00 0.00 C ATOM 509 O GLU A 31 7.551 -2.287 6.956 1.00 0.00 O ATOM 510 CB GLU A 31 10.012 -0.460 7.370 1.00 0.00 C ATOM 511 CG GLU A 31 10.972 -0.167 8.512 1.00 0.00 C ATOM 512 CD GLU A 31 10.939 1.285 8.944 1.00 0.00 C ATOM 513 OE1 GLU A 31 11.700 2.093 8.372 1.00 0.00 O ATOM 514 OE2 GLU A 31 10.150 1.616 9.855 1.00 0.00 O ATOM 0 H GLU A 31 9.602 -1.384 5.015 1.00 0.00 H new ATOM 0 HA GLU A 31 10.753 -2.471 7.484 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.325 0.102 6.490 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.019 -0.102 7.641 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.723 -0.801 9.363 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.985 -0.428 8.206 1.00 0.00 H new ATOM 521 N LEU A 32 8.702 -3.312 8.594 1.00 0.00 N ATOM 522 CA LEU A 32 7.514 -3.938 9.180 1.00 0.00 C ATOM 523 C LEU A 32 7.261 -3.419 10.589 1.00 0.00 C ATOM 524 O LEU A 32 7.976 -3.762 11.530 1.00 0.00 O ATOM 525 CB LEU A 32 7.655 -5.474 9.202 1.00 0.00 C ATOM 526 CG LEU A 32 6.358 -6.281 9.405 1.00 0.00 C ATOM 527 CD1 LEU A 32 6.689 -7.712 9.813 1.00 0.00 C ATOM 528 CD2 LEU A 32 5.456 -5.636 10.452 1.00 0.00 C ATOM 0 H LEU A 32 9.575 -3.525 9.077 1.00 0.00 H new ATOM 0 HA LEU A 32 6.661 -3.674 8.555 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.109 -5.788 8.262 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.351 -5.741 9.997 1.00 0.00 H new ATOM 0 HG LEU A 32 5.820 -6.290 8.457 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.765 -8.273 9.954 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.285 -8.184 9.032 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.254 -7.703 10.745 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.551 -6.232 10.569 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.983 -5.585 11.405 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.189 -4.629 10.131 1.00 0.00 H new ATOM 540 N THR A 33 6.215 -2.613 10.725 1.00 0.00 N ATOM 541 CA THR A 33 5.830 -2.066 12.020 1.00 0.00 C ATOM 542 C THR A 33 4.357 -2.358 12.253 1.00 0.00 C ATOM 543 O THR A 33 3.637 -2.709 11.318 1.00 0.00 O ATOM 544 CB THR A 33 6.082 -0.557 12.060 1.00 0.00 C ATOM 545 OG1 THR A 33 5.986 0.003 10.763 1.00 0.00 O ATOM 546 CG2 THR A 33 7.441 -0.193 12.619 1.00 0.00 C ATOM 0 H THR A 33 5.617 -2.323 9.952 1.00 0.00 H new ATOM 0 HA THR A 33 6.428 -2.529 12.805 1.00 0.00 H new ATOM 0 HB THR A 33 5.315 -0.153 12.721 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.149 0.968 10.811 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.556 0.891 12.620 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.527 -0.568 13.639 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.220 -0.640 12.001 1.00 0.00 H new ATOM 554 N PRO A 34 3.872 -2.219 13.490 1.00 0.00 N ATOM 555 CA PRO A 34 2.470 -2.472 13.800 1.00 0.00 C ATOM 556 C PRO A 34 1.582 -1.324 13.361 1.00 0.00 C ATOM 557 O PRO A 34 0.775 -0.811 14.137 1.00 0.00 O ATOM 558 CB PRO A 34 2.467 -2.611 15.313 1.00 0.00 C ATOM 559 CG PRO A 34 3.613 -1.777 15.779 1.00 0.00 C ATOM 560 CD PRO A 34 4.640 -1.798 14.674 1.00 0.00 C ATOM 0 HA PRO A 34 2.079 -3.349 13.284 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.526 -2.263 15.740 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.588 -3.652 15.614 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.290 -0.757 15.988 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.031 -2.175 16.704 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.092 -0.817 14.529 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.450 -2.493 14.894 1.00 0.00 H new ATOM 568 N GLU A 35 1.745 -0.923 12.107 1.00 0.00 N ATOM 569 CA GLU A 35 0.974 0.176 11.550 1.00 0.00 C ATOM 570 C GLU A 35 0.954 0.142 10.018 1.00 0.00 C ATOM 571 O GLU A 35 -0.079 0.417 9.409 1.00 0.00 O ATOM 572 CB GLU A 35 1.541 1.514 12.036 1.00 0.00 C ATOM 573 CG GLU A 35 1.473 1.691 13.544 1.00 0.00 C ATOM 574 CD GLU A 35 1.735 3.119 13.978 1.00 0.00 C ATOM 575 OE1 GLU A 35 0.875 3.986 13.715 1.00 0.00 O ATOM 576 OE2 GLU A 35 2.799 3.371 14.581 1.00 0.00 O ATOM 0 H GLU A 35 2.407 -1.345 11.456 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.054 0.066 11.897 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.579 1.597 11.715 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.994 2.326 11.558 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.489 1.383 13.898 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.202 1.033 14.016 1.00 0.00 H new ATOM 583 N ARG A 36 2.090 -0.179 9.391 1.00 0.00 N ATOM 584 CA ARG A 36 2.150 -0.217 7.936 1.00 0.00 C ATOM 585 C ARG A 36 3.443 -0.831 7.416 1.00 0.00 C ATOM 586 O ARG A 36 4.405 -1.030 8.157 1.00 0.00 O ATOM 587 CB ARG A 36 2.012 1.195 7.371 1.00 0.00 C ATOM 588 CG ARG A 36 3.040 2.166 7.931 1.00 0.00 C ATOM 589 CD ARG A 36 2.455 3.555 8.110 1.00 0.00 C ATOM 590 NE ARG A 36 2.107 3.830 9.502 1.00 0.00 N ATOM 591 CZ ARG A 36 1.812 5.042 9.966 1.00 0.00 C ATOM 592 NH1 ARG A 36 1.822 6.092 9.155 1.00 0.00 N ATOM 593 NH2 ARG A 36 1.505 5.204 11.245 1.00 0.00 N ATOM 0 H ARG A 36 2.964 -0.412 9.863 1.00 0.00 H new ATOM 0 HA ARG A 36 1.324 -0.847 7.605 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.111 1.157 6.286 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.012 1.570 7.587 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.405 1.798 8.890 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.898 2.215 7.261 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.173 4.298 7.763 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.566 3.656 7.488 1.00 0.00 H new ATOM 0 HE ARG A 36 2.089 3.048 10.156 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.057 5.973 8.170 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.595 7.018 9.517 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.495 4.400 11.873 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.279 6.132 11.602 1.00 0.00 H new ATOM 607 N GLY A 37 3.451 -1.091 6.111 1.00 0.00 N ATOM 608 CA GLY A 37 4.619 -1.640 5.454 1.00 0.00 C ATOM 609 C GLY A 37 5.289 -0.580 4.579 1.00 0.00 C ATOM 610 O GLY A 37 4.655 -0.044 3.671 1.00 0.00 O ATOM 0 H GLY A 37 2.657 -0.928 5.492 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.326 -2.004 6.200 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.331 -2.496 4.843 1.00 0.00 H new ATOM 614 N PHE A 38 6.556 -0.261 4.849 1.00 0.00 N ATOM 615 CA PHE A 38 7.274 0.754 4.081 1.00 0.00 C ATOM 616 C PHE A 38 8.167 0.088 3.045 1.00 0.00 C ATOM 617 O PHE A 38 9.126 -0.600 3.388 1.00 0.00 O ATOM 618 CB PHE A 38 8.096 1.607 5.053 1.00 0.00 C ATOM 619 CG PHE A 38 8.885 2.731 4.432 1.00 0.00 C ATOM 620 CD1 PHE A 38 8.246 3.790 3.801 1.00 0.00 C ATOM 621 CD2 PHE A 38 10.272 2.747 4.514 1.00 0.00 C ATOM 622 CE1 PHE A 38 8.973 4.834 3.262 1.00 0.00 C ATOM 623 CE2 PHE A 38 11.001 3.792 3.980 1.00 0.00 C ATOM 624 CZ PHE A 38 10.351 4.836 3.354 1.00 0.00 C ATOM 0 H PHE A 38 7.105 -0.691 5.593 1.00 0.00 H new ATOM 0 HA PHE A 38 6.571 1.394 3.548 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.420 2.030 5.797 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.787 0.954 5.585 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.168 3.798 3.731 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.787 1.932 5.001 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.464 5.649 2.769 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.079 3.792 4.052 1.00 0.00 H new ATOM 0 HZ PHE A 38 10.919 5.654 2.936 1.00 0.00 H new ATOM 634 N ILE A 39 7.840 0.293 1.773 1.00 0.00 N ATOM 635 CA ILE A 39 8.614 -0.300 0.682 1.00 0.00 C ATOM 636 C ILE A 39 9.085 0.781 -0.291 1.00 0.00 C ATOM 637 O ILE A 39 8.277 1.344 -1.030 1.00 0.00 O ATOM 638 CB ILE A 39 7.803 -1.353 -0.120 1.00 0.00 C ATOM 639 CG1 ILE A 39 6.932 -2.230 0.808 1.00 0.00 C ATOM 640 CG2 ILE A 39 8.751 -2.222 -0.945 1.00 0.00 C ATOM 641 CD1 ILE A 39 6.504 -3.559 0.201 1.00 0.00 C ATOM 0 H ILE A 39 7.049 0.862 1.471 1.00 0.00 H new ATOM 0 HA ILE A 39 9.465 -0.797 1.148 1.00 0.00 H new ATOM 0 HB ILE A 39 7.129 -0.821 -0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.485 -2.426 1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.040 -1.668 1.087 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.175 -2.959 -1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.309 -1.594 -1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.446 -2.735 -0.280 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.897 -4.109 0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.920 -3.376 -0.701 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.388 -4.145 -0.051 1.00 0.00 H new ATOM 704 N SER A 44 11.149 6.714 -5.202 1.00 0.00 N ATOM 705 CA SER A 44 9.717 6.489 -5.036 1.00 0.00 C ATOM 706 C SER A 44 9.493 5.537 -3.859 1.00 0.00 C ATOM 707 O SER A 44 10.413 4.823 -3.460 1.00 0.00 O ATOM 708 CB SER A 44 9.123 5.906 -6.327 1.00 0.00 C ATOM 709 OG SER A 44 10.116 5.244 -7.092 1.00 0.00 O ATOM 0 HA SER A 44 9.216 7.435 -4.829 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.324 5.207 -6.080 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.676 6.705 -6.919 1.00 0.00 H new ATOM 0 HG SER A 44 11.004 5.479 -6.749 1.00 0.00 H new ATOM 715 N ASN A 45 8.288 5.526 -3.289 1.00 0.00 N ATOM 716 CA ASN A 45 8.010 4.652 -2.154 1.00 0.00 C ATOM 717 C ASN A 45 6.568 4.167 -2.178 1.00 0.00 C ATOM 718 O ASN A 45 5.757 4.638 -2.976 1.00 0.00 O ATOM 719 CB ASN A 45 8.296 5.378 -0.831 1.00 0.00 C ATOM 720 CG ASN A 45 9.325 6.486 -0.972 1.00 0.00 C ATOM 721 OD1 ASN A 45 9.152 7.414 -1.763 1.00 0.00 O ATOM 722 ND2 ASN A 45 10.403 6.393 -0.203 1.00 0.00 N ATOM 0 H ASN A 45 7.502 6.103 -3.589 1.00 0.00 H new ATOM 0 HA ASN A 45 8.667 3.786 -2.232 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.367 5.799 -0.446 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.647 4.655 -0.095 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.129 7.108 -0.254 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.505 5.607 0.439 1.00 0.00 H new ATOM 729 N CYS A 46 6.251 3.220 -1.301 1.00 0.00 N ATOM 730 CA CYS A 46 4.904 2.674 -1.230 1.00 0.00 C ATOM 731 C CYS A 46 4.598 2.183 0.184 1.00 0.00 C ATOM 732 O CYS A 46 5.051 1.113 0.592 1.00 0.00 O ATOM 733 CB CYS A 46 4.730 1.523 -2.232 1.00 0.00 C ATOM 734 SG CYS A 46 6.240 1.035 -3.106 1.00 0.00 S ATOM 0 H CYS A 46 6.907 2.817 -0.632 1.00 0.00 H new ATOM 0 HA CYS A 46 4.204 3.469 -1.487 1.00 0.00 H new ATOM 0 HB2 CYS A 46 4.339 0.655 -1.701 1.00 0.00 H new ATOM 0 HB3 CYS A 46 3.979 1.812 -2.968 1.00 0.00 H new ATOM 0 HG CYS A 46 7.188 0.815 -2.244 1.00 0.00 H new ATOM 740 N GLU A 47 3.827 2.970 0.925 1.00 0.00 N ATOM 741 CA GLU A 47 3.458 2.623 2.291 1.00 0.00 C ATOM 742 C GLU A 47 2.051 2.028 2.317 1.00 0.00 C ATOM 743 O GLU A 47 1.233 2.321 1.445 1.00 0.00 O ATOM 744 CB GLU A 47 3.540 3.875 3.176 1.00 0.00 C ATOM 745 CG GLU A 47 3.923 3.621 4.631 1.00 0.00 C ATOM 746 CD GLU A 47 4.605 4.818 5.264 1.00 0.00 C ATOM 747 OE1 GLU A 47 5.790 5.059 4.952 1.00 0.00 O ATOM 748 OE2 GLU A 47 3.955 5.514 6.071 1.00 0.00 O ATOM 0 H GLU A 47 3.444 3.858 0.600 1.00 0.00 H new ATOM 0 HA GLU A 47 4.150 1.875 2.679 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.267 4.561 2.741 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.574 4.379 3.154 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.028 3.372 5.202 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.586 2.758 4.684 1.00 0.00 H new ATOM 755 N LEU A 48 1.770 1.188 3.309 1.00 0.00 N ATOM 756 CA LEU A 48 0.452 0.559 3.416 1.00 0.00 C ATOM 757 C LEU A 48 0.021 0.438 4.875 1.00 0.00 C ATOM 758 O LEU A 48 0.612 -0.316 5.642 1.00 0.00 O ATOM 759 CB LEU A 48 0.458 -0.827 2.734 1.00 0.00 C ATOM 760 CG LEU A 48 -0.859 -1.619 2.796 1.00 0.00 C ATOM 761 CD1 LEU A 48 -2.065 -0.706 2.631 1.00 0.00 C ATOM 762 CD2 LEU A 48 -0.874 -2.714 1.736 1.00 0.00 C ATOM 0 H LEU A 48 2.427 0.927 4.044 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.270 1.194 2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.728 -0.692 1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.243 -1.430 3.191 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.922 -2.082 3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.979 -1.298 2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.071 0.037 3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.010 -0.202 1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.813 -3.264 1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.778 -2.265 0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.042 -3.397 1.907 1.00 0.00 H new ATOM 774 N LEU A 49 -1.028 1.175 5.244 1.00 0.00 N ATOM 775 CA LEU A 49 -1.547 1.134 6.613 1.00 0.00 C ATOM 776 C LEU A 49 -2.576 0.031 6.721 1.00 0.00 C ATOM 777 O LEU A 49 -3.451 -0.083 5.867 1.00 0.00 O ATOM 778 CB LEU A 49 -2.167 2.474 7.024 1.00 0.00 C ATOM 779 CG LEU A 49 -2.286 2.693 8.536 1.00 0.00 C ATOM 780 CD1 LEU A 49 -1.269 3.720 9.011 1.00 0.00 C ATOM 781 CD2 LEU A 49 -3.697 3.132 8.903 1.00 0.00 C ATOM 0 H LEU A 49 -1.532 1.804 4.619 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.716 0.937 7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.568 3.280 6.601 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.160 2.549 6.581 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.078 1.747 9.036 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.370 3.861 10.087 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.263 3.368 8.784 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.445 4.668 8.503 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.762 3.283 9.981 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.932 4.065 8.391 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.408 2.363 8.600 1.00 0.00 H new ATOM 793 N ALA A 50 -2.461 -0.801 7.743 1.00 0.00 N ATOM 794 CA ALA A 50 -3.388 -1.907 7.893 1.00 0.00 C ATOM 795 C ALA A 50 -3.743 -2.202 9.341 1.00 0.00 C ATOM 796 O ALA A 50 -2.914 -2.668 10.121 1.00 0.00 O ATOM 797 CB ALA A 50 -2.810 -3.138 7.222 1.00 0.00 C ATOM 0 H ALA A 50 -1.748 -0.733 8.469 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.321 -1.618 7.410 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.503 -3.972 7.332 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.652 -2.935 6.163 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.858 -3.393 7.688 1.00 0.00 H new ATOM 803 N HIS A 51 -5.007 -1.958 9.675 1.00 0.00 N ATOM 804 CA HIS A 51 -5.521 -2.222 10.995 1.00 0.00 C ATOM 805 C HIS A 51 -6.519 -3.387 10.906 1.00 0.00 C ATOM 806 O HIS A 51 -6.978 -3.739 9.821 1.00 0.00 O ATOM 807 CB HIS A 51 -6.168 -0.960 11.588 1.00 0.00 C ATOM 808 CG HIS A 51 -5.789 -0.706 13.015 1.00 0.00 C ATOM 809 ND1 HIS A 51 -6.661 -0.173 13.943 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.624 -0.917 13.678 1.00 0.00 C ATOM 811 CE1 HIS A 51 -6.050 -0.066 15.109 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.815 -0.512 14.975 1.00 0.00 N ATOM 0 H HIS A 51 -5.696 -1.571 9.030 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.708 -2.502 11.665 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.882 -0.098 10.986 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.252 -1.051 11.519 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.716 -1.327 13.262 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.487 0.321 16.018 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.115 -0.550 15.716 1.00 0.00 H new ATOM 821 N PRO A 52 -6.843 -4.011 12.040 1.00 0.00 N ATOM 822 CA PRO A 52 -7.758 -5.160 12.103 1.00 0.00 C ATOM 823 C PRO A 52 -9.046 -4.995 11.293 1.00 0.00 C ATOM 824 O PRO A 52 -9.710 -5.987 10.990 1.00 0.00 O ATOM 825 CB PRO A 52 -8.071 -5.262 13.592 1.00 0.00 C ATOM 826 CG PRO A 52 -6.845 -4.744 14.256 1.00 0.00 C ATOM 827 CD PRO A 52 -6.320 -3.655 13.360 1.00 0.00 C ATOM 0 HA PRO A 52 -7.300 -6.048 11.667 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.948 -4.671 13.857 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.279 -6.291 13.886 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.073 -4.357 15.249 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.106 -5.535 14.384 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.669 -2.672 13.677 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.230 -3.623 13.364 1.00 0.00 H new ATOM 835 N ASP A 53 -9.419 -3.762 10.955 1.00 0.00 N ATOM 836 CA ASP A 53 -10.652 -3.550 10.200 1.00 0.00 C ATOM 837 C ASP A 53 -10.529 -2.483 9.115 1.00 0.00 C ATOM 838 O ASP A 53 -11.484 -2.258 8.371 1.00 0.00 O ATOM 839 CB ASP A 53 -11.795 -3.186 11.153 1.00 0.00 C ATOM 840 CG ASP A 53 -11.575 -1.850 11.836 1.00 0.00 C ATOM 841 OD1 ASP A 53 -11.829 -0.808 11.198 1.00 0.00 O ATOM 842 OD2 ASP A 53 -11.149 -1.847 13.010 1.00 0.00 O ATOM 0 H ASP A 53 -8.900 -2.914 11.185 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.864 -4.490 9.691 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.732 -3.157 10.597 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.896 -3.965 11.909 1.00 0.00 H new ATOM 847 N HIS A 54 -9.375 -1.838 8.992 1.00 0.00 N ATOM 848 CA HIS A 54 -9.221 -0.831 7.947 1.00 0.00 C ATOM 849 C HIS A 54 -7.807 -0.827 7.365 1.00 0.00 C ATOM 850 O HIS A 54 -6.864 -1.287 8.007 1.00 0.00 O ATOM 851 CB HIS A 54 -9.593 0.561 8.462 1.00 0.00 C ATOM 852 CG HIS A 54 -8.812 0.999 9.661 1.00 0.00 C ATOM 853 ND1 HIS A 54 -7.641 1.720 9.574 1.00 0.00 N ATOM 854 CD2 HIS A 54 -9.049 0.828 10.984 1.00 0.00 C ATOM 855 CE1 HIS A 54 -7.191 1.974 10.790 1.00 0.00 C ATOM 856 NE2 HIS A 54 -8.027 1.444 11.664 1.00 0.00 N ATOM 0 H HIS A 54 -8.556 -1.986 9.581 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.909 -1.097 7.144 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.444 1.285 7.661 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.655 0.573 8.709 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.886 0.305 11.422 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -6.292 2.522 11.029 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -7.930 1.485 12.679 1.00 0.00 H new ATOM 865 N VAL A 55 -7.668 -0.312 6.140 1.00 0.00 N ATOM 866 CA VAL A 55 -6.376 -0.260 5.478 1.00 0.00 C ATOM 867 C VAL A 55 -6.216 1.050 4.712 1.00 0.00 C ATOM 868 O VAL A 55 -7.143 1.511 4.046 1.00 0.00 O ATOM 869 CB VAL A 55 -6.200 -1.463 4.521 1.00 0.00 C ATOM 870 CG1 VAL A 55 -6.749 -1.166 3.132 1.00 0.00 C ATOM 871 CG2 VAL A 55 -4.741 -1.890 4.443 1.00 0.00 C ATOM 0 H VAL A 55 -8.438 0.073 5.593 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.603 -0.312 6.244 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.779 -2.290 4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.606 -2.036 2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.813 -0.938 3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.222 -0.312 2.707 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.646 -2.737 3.764 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.138 -1.060 4.075 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.393 -2.179 5.435 1.00 0.00 H new ATOM 881 N LEU A 56 -5.034 1.638 4.810 1.00 0.00 N ATOM 882 CA LEU A 56 -4.740 2.894 4.123 1.00 0.00 C ATOM 883 C LEU A 56 -3.584 2.691 3.153 1.00 0.00 C ATOM 884 O LEU A 56 -2.671 1.913 3.418 1.00 0.00 O ATOM 885 CB LEU A 56 -4.394 4.001 5.137 1.00 0.00 C ATOM 886 CG LEU A 56 -5.383 5.171 5.237 1.00 0.00 C ATOM 887 CD1 LEU A 56 -4.958 6.129 6.341 1.00 0.00 C ATOM 888 CD2 LEU A 56 -5.500 5.917 3.913 1.00 0.00 C ATOM 0 H LEU A 56 -4.258 1.267 5.359 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.625 3.204 3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.304 3.545 6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.414 4.404 4.882 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.363 4.758 5.478 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.668 6.954 6.401 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.936 5.600 7.294 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.965 6.521 6.121 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.208 6.739 4.020 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.524 6.313 3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.851 5.233 3.140 1.00 0.00 H new ATOM 900 N MET A 57 -3.634 3.384 2.027 1.00 0.00 N ATOM 901 CA MET A 57 -2.590 3.260 1.019 1.00 0.00 C ATOM 902 C MET A 57 -2.028 4.625 0.637 1.00 0.00 C ATOM 903 O MET A 57 -2.730 5.450 0.055 1.00 0.00 O ATOM 904 CB MET A 57 -3.150 2.532 -0.205 1.00 0.00 C ATOM 905 CG MET A 57 -4.069 1.380 0.173 1.00 0.00 C ATOM 906 SD MET A 57 -4.748 0.530 -1.265 1.00 0.00 S ATOM 907 CE MET A 57 -6.503 0.751 -0.991 1.00 0.00 C ATOM 0 H MET A 57 -4.381 4.035 1.787 1.00 0.00 H new ATOM 0 HA MET A 57 -1.766 2.678 1.432 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.698 3.241 -0.826 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.325 2.152 -0.807 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.517 0.666 0.785 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.887 1.759 0.785 1.00 0.00 H new ATOM 0 HE1 MET A 57 -7.040 0.592 -1.926 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.849 0.032 -0.248 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.691 1.763 -0.632 1.00 0.00 H new ATOM 917 N ILE A 58 -0.755 4.860 0.966 1.00 0.00 N ATOM 918 CA ILE A 58 -0.107 6.120 0.656 1.00 0.00 C ATOM 919 C ILE A 58 1.165 5.882 -0.146 1.00 0.00 C ATOM 920 O ILE A 58 1.941 4.976 0.161 1.00 0.00 O ATOM 921 CB ILE A 58 0.256 6.904 1.935 1.00 0.00 C ATOM 922 CG1 ILE A 58 -0.974 7.065 2.846 1.00 0.00 C ATOM 923 CG2 ILE A 58 0.849 8.254 1.564 1.00 0.00 C ATOM 924 CD1 ILE A 58 -1.278 8.499 3.240 1.00 0.00 C ATOM 0 H ILE A 58 -0.158 4.187 1.448 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.815 6.707 0.071 1.00 0.00 H new ATOM 0 HB ILE A 58 1.004 6.341 2.493 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.844 6.648 2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.820 6.477 3.751 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.103 8.802 2.472 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.749 8.105 0.967 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.121 8.825 0.987 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.159 8.521 3.881 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.427 8.917 3.778 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.466 9.090 2.344 1.00 0.00 H new ATOM 936 N LEU A 59 1.381 6.699 -1.167 1.00 0.00 N ATOM 937 CA LEU A 59 2.568 6.567 -2.000 1.00 0.00 C ATOM 938 C LEU A 59 3.390 7.844 -1.991 1.00 0.00 C ATOM 939 O LEU A 59 2.845 8.943 -1.987 1.00 0.00 O ATOM 940 CB LEU A 59 2.186 6.196 -3.445 1.00 0.00 C ATOM 941 CG LEU A 59 1.730 7.343 -4.359 1.00 0.00 C ATOM 942 CD1 LEU A 59 0.539 8.054 -3.758 1.00 0.00 C ATOM 943 CD2 LEU A 59 2.860 8.327 -4.630 1.00 0.00 C ATOM 0 H LEU A 59 0.754 7.456 -1.438 1.00 0.00 H new ATOM 0 HA LEU A 59 3.175 5.764 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.045 5.713 -3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.387 5.456 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 59 1.435 6.909 -5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.228 8.864 -4.418 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.283 7.348 -3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.812 8.463 -2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.500 9.124 -5.280 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.204 8.754 -3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.686 7.808 -5.116 1.00 0.00 H new ATOM 955 N ASN A 60 4.705 7.691 -2.033 1.00 0.00 N ATOM 956 CA ASN A 60 5.598 8.839 -2.082 1.00 0.00 C ATOM 957 C ASN A 60 6.443 8.743 -3.339 1.00 0.00 C ATOM 958 O ASN A 60 7.379 7.947 -3.406 1.00 0.00 O ATOM 959 CB ASN A 60 6.491 8.893 -0.841 1.00 0.00 C ATOM 960 CG ASN A 60 5.703 8.762 0.447 1.00 0.00 C ATOM 961 OD1 ASN A 60 4.477 8.649 0.430 1.00 0.00 O ATOM 962 ND2 ASN A 60 6.405 8.776 1.574 1.00 0.00 N ATOM 0 H ASN A 60 5.176 6.786 -2.034 1.00 0.00 H new ATOM 0 HA ASN A 60 5.007 9.755 -2.101 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.230 8.093 -0.894 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.040 9.835 -0.833 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.929 8.691 2.472 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.420 8.872 1.541 1.00 0.00 H new ATOM 969 N SER A 61 6.096 9.532 -4.349 1.00 0.00 N ATOM 970 CA SER A 61 6.838 9.480 -5.615 1.00 0.00 C ATOM 971 C SER A 61 6.852 10.822 -6.357 1.00 0.00 C ATOM 972 O SER A 61 5.829 11.496 -6.476 1.00 0.00 O ATOM 973 CB SER A 61 6.249 8.395 -6.522 1.00 0.00 C ATOM 974 OG SER A 61 5.384 7.538 -5.800 1.00 0.00 O ATOM 0 H SER A 61 5.327 10.201 -4.325 1.00 0.00 H new ATOM 0 HA SER A 61 7.872 9.243 -5.364 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.703 8.860 -7.342 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.055 7.812 -6.966 1.00 0.00 H new ATOM 0 HG SER A 61 5.912 6.963 -5.208 1.00 0.00 H new ATOM 980 N PRO A 62 8.040 11.217 -6.860 1.00 0.00 N ATOM 981 CA PRO A 62 8.247 12.478 -7.598 1.00 0.00 C ATOM 982 C PRO A 62 7.496 12.571 -8.924 1.00 0.00 C ATOM 983 O PRO A 62 7.410 13.652 -9.507 1.00 0.00 O ATOM 984 CB PRO A 62 9.752 12.486 -7.856 1.00 0.00 C ATOM 985 CG PRO A 62 10.155 11.056 -7.794 1.00 0.00 C ATOM 986 CD PRO A 62 9.297 10.462 -6.727 1.00 0.00 C ATOM 0 HA PRO A 62 7.868 13.323 -7.022 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.984 12.921 -8.828 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.279 13.078 -7.108 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.997 10.559 -8.751 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.213 10.954 -7.553 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.145 9.393 -6.879 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.739 10.584 -5.738 1.00 0.00 H new ATOM 994 N ASP A 63 6.957 11.459 -9.409 1.00 0.00 N ATOM 995 CA ASP A 63 6.232 11.479 -10.673 1.00 0.00 C ATOM 996 C ASP A 63 4.911 10.732 -10.545 1.00 0.00 C ATOM 997 O ASP A 63 4.811 9.776 -9.778 1.00 0.00 O ATOM 998 CB ASP A 63 7.081 10.855 -11.783 1.00 0.00 C ATOM 999 CG ASP A 63 7.511 9.439 -11.458 1.00 0.00 C ATOM 1000 OD1 ASP A 63 8.258 9.258 -10.473 1.00 0.00 O ATOM 1001 OD2 ASP A 63 7.101 8.512 -12.187 1.00 0.00 O ATOM 0 H ASP A 63 7.006 10.547 -8.955 1.00 0.00 H new ATOM 0 HA ASP A 63 6.022 12.517 -10.930 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.513 10.854 -12.713 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.965 11.471 -11.949 1.00 0.00 H new ATOM 1006 N GLU A 64 3.893 11.161 -11.291 1.00 0.00 N ATOM 1007 CA GLU A 64 2.594 10.487 -11.215 1.00 0.00 C ATOM 1008 C GLU A 64 2.711 9.036 -11.687 1.00 0.00 C ATOM 1009 O GLU A 64 2.181 8.138 -11.038 1.00 0.00 O ATOM 1010 CB GLU A 64 1.501 11.223 -12.001 1.00 0.00 C ATOM 1011 CG GLU A 64 0.132 11.016 -11.391 1.00 0.00 C ATOM 1012 CD GLU A 64 -0.956 10.837 -12.432 1.00 0.00 C ATOM 1013 OE1 GLU A 64 -0.942 9.804 -13.135 1.00 0.00 O ATOM 1014 OE2 GLU A 64 -1.825 11.728 -12.544 1.00 0.00 O ATOM 0 H GLU A 64 3.936 11.949 -11.938 1.00 0.00 H new ATOM 0 HA GLU A 64 2.293 10.497 -10.167 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.729 12.289 -12.029 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.496 10.871 -13.033 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.157 10.139 -10.744 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.112 11.871 -10.760 1.00 0.00 H new ATOM 1021 N ASP A 65 3.426 8.790 -12.795 1.00 0.00 N ATOM 1022 CA ASP A 65 3.608 7.423 -13.281 1.00 0.00 C ATOM 1023 C ASP A 65 4.056 6.548 -12.121 1.00 0.00 C ATOM 1024 O ASP A 65 3.417 5.549 -11.791 1.00 0.00 O ATOM 1025 CB ASP A 65 4.664 7.393 -14.381 1.00 0.00 C ATOM 1026 CG ASP A 65 4.745 6.046 -15.071 1.00 0.00 C ATOM 1027 OD1 ASP A 65 5.226 5.082 -14.438 1.00 0.00 O ATOM 1028 OD2 ASP A 65 4.327 5.954 -16.245 1.00 0.00 O ATOM 0 H ASP A 65 3.879 9.509 -13.360 1.00 0.00 H new ATOM 0 HA ASP A 65 2.668 7.053 -13.689 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.437 8.163 -15.119 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.636 7.638 -13.954 1.00 0.00 H new ATOM 1033 N SER A 66 5.134 6.977 -11.471 1.00 0.00 N ATOM 1034 CA SER A 66 5.648 6.281 -10.297 1.00 0.00 C ATOM 1035 C SER A 66 4.562 6.271 -9.228 1.00 0.00 C ATOM 1036 O SER A 66 4.134 5.222 -8.747 1.00 0.00 O ATOM 1037 CB SER A 66 6.893 6.988 -9.758 1.00 0.00 C ATOM 1038 OG SER A 66 7.467 6.263 -8.686 1.00 0.00 O ATOM 0 H SER A 66 5.668 7.804 -11.738 1.00 0.00 H new ATOM 0 HA SER A 66 5.923 5.262 -10.569 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.625 7.102 -10.557 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.629 7.991 -9.423 1.00 0.00 H new ATOM 0 HG SER A 66 6.781 5.705 -8.264 1.00 0.00 H new ATOM 1044 N LEU A 67 4.118 7.476 -8.899 1.00 0.00 N ATOM 1045 CA LEU A 67 3.063 7.714 -7.916 1.00 0.00 C ATOM 1046 C LEU A 67 1.941 6.684 -8.044 1.00 0.00 C ATOM 1047 O LEU A 67 1.665 5.940 -7.105 1.00 0.00 O ATOM 1048 CB LEU A 67 2.539 9.155 -8.117 1.00 0.00 C ATOM 1049 CG LEU A 67 1.174 9.520 -7.521 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.946 11.016 -7.626 1.00 0.00 C ATOM 1051 CD2 LEU A 67 0.035 8.780 -8.209 1.00 0.00 C ATOM 0 H LEU A 67 4.485 8.333 -9.313 1.00 0.00 H new ATOM 0 HA LEU A 67 3.462 7.606 -6.908 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.278 9.839 -7.700 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.496 9.347 -9.189 1.00 0.00 H new ATOM 0 HG LEU A 67 1.184 9.218 -6.474 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.026 11.267 -7.200 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.728 11.543 -7.079 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.971 11.315 -8.674 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.913 9.069 -7.755 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.023 9.035 -9.269 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.179 7.705 -8.096 1.00 0.00 H new ATOM 1063 N ALA A 68 1.301 6.633 -9.202 1.00 0.00 N ATOM 1064 CA ALA A 68 0.223 5.683 -9.421 1.00 0.00 C ATOM 1065 C ALA A 68 0.757 4.260 -9.354 1.00 0.00 C ATOM 1066 O ALA A 68 0.076 3.350 -8.882 1.00 0.00 O ATOM 1067 CB ALA A 68 -0.455 5.941 -10.758 1.00 0.00 C ATOM 0 H ALA A 68 1.508 7.234 -10.000 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.521 5.812 -8.635 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.259 5.220 -10.903 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.867 6.950 -10.768 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.274 5.838 -11.562 1.00 0.00 H new ATOM 1073 N HIS A 69 1.993 4.077 -9.816 1.00 0.00 N ATOM 1074 CA HIS A 69 2.627 2.765 -9.792 1.00 0.00 C ATOM 1075 C HIS A 69 2.611 2.203 -8.377 1.00 0.00 C ATOM 1076 O HIS A 69 2.398 1.009 -8.171 1.00 0.00 O ATOM 1077 CB HIS A 69 4.067 2.856 -10.302 1.00 0.00 C ATOM 1078 CG HIS A 69 4.618 1.546 -10.775 1.00 0.00 C ATOM 1079 ND1 HIS A 69 4.277 0.337 -10.204 1.00 0.00 N ATOM 1080 CD2 HIS A 69 5.491 1.258 -11.769 1.00 0.00 C ATOM 1081 CE1 HIS A 69 4.918 -0.637 -10.827 1.00 0.00 C ATOM 1082 NE2 HIS A 69 5.658 -0.104 -11.781 1.00 0.00 N ATOM 0 H HIS A 69 2.571 4.819 -10.210 1.00 0.00 H new ATOM 0 HA HIS A 69 2.067 2.098 -10.447 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.109 3.575 -11.120 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.703 3.242 -9.505 1.00 0.00 H new ATOM 0 HD1 HIS A 69 3.632 0.214 -9.424 1.00 0.00 H new ATOM 0 HD2 HIS A 69 5.967 1.968 -12.429 1.00 0.00 H new ATOM 0 HE1 HIS A 69 4.848 -1.689 -10.595 1.00 0.00 H new ATOM 1091 N MET A 70 2.830 3.082 -7.403 1.00 0.00 N ATOM 1092 CA MET A 70 2.833 2.672 -5.995 1.00 0.00 C ATOM 1093 C MET A 70 1.400 2.557 -5.452 1.00 0.00 C ATOM 1094 O MET A 70 1.004 1.497 -4.969 1.00 0.00 O ATOM 1095 CB MET A 70 3.658 3.632 -5.101 1.00 0.00 C ATOM 1096 CG MET A 70 4.345 4.787 -5.824 1.00 0.00 C ATOM 1097 SD MET A 70 5.896 4.316 -6.632 1.00 0.00 S ATOM 1098 CE MET A 70 5.675 2.557 -6.912 1.00 0.00 C ATOM 0 H MET A 70 3.007 4.075 -7.557 1.00 0.00 H new ATOM 0 HA MET A 70 3.311 1.693 -5.960 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.998 4.046 -4.339 1.00 0.00 H new ATOM 0 HB3 MET A 70 4.419 3.050 -4.581 1.00 0.00 H new ATOM 0 HG2 MET A 70 3.664 5.193 -6.572 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.545 5.585 -5.109 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.545 2.160 -7.434 1.00 0.00 H new ATOM 0 HE2 MET A 70 5.562 2.048 -5.955 1.00 0.00 H new ATOM 0 HE3 MET A 70 4.783 2.394 -7.517 1.00 0.00 H new ATOM 1108 N GLN A 71 0.625 3.648 -5.517 1.00 0.00 N ATOM 1109 CA GLN A 71 -0.750 3.630 -5.012 1.00 0.00 C ATOM 1110 C GLN A 71 -1.589 2.530 -5.665 1.00 0.00 C ATOM 1111 O GLN A 71 -2.536 2.029 -5.057 1.00 0.00 O ATOM 1112 CB GLN A 71 -1.447 4.993 -5.185 1.00 0.00 C ATOM 1113 CG GLN A 71 -1.211 5.683 -6.513 1.00 0.00 C ATOM 1114 CD GLN A 71 -2.490 5.841 -7.317 1.00 0.00 C ATOM 1115 OE1 GLN A 71 -2.726 5.111 -8.280 1.00 0.00 O ATOM 1116 NE2 GLN A 71 -3.322 6.797 -6.923 1.00 0.00 N ATOM 0 H GLN A 71 0.923 4.541 -5.909 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.675 3.415 -3.946 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.520 4.852 -5.054 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.113 5.656 -4.387 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.772 6.665 -6.337 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.488 5.110 -7.094 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.086 7.379 -6.119 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.197 6.950 -7.424 1.00 0.00 H new ATOM 1125 N ASN A 72 -1.252 2.153 -6.896 1.00 0.00 N ATOM 1126 CA ASN A 72 -1.997 1.110 -7.598 1.00 0.00 C ATOM 1127 C ASN A 72 -1.530 -0.280 -7.177 1.00 0.00 C ATOM 1128 O ASN A 72 -2.346 -1.160 -6.905 1.00 0.00 O ATOM 1129 CB ASN A 72 -1.858 1.271 -9.112 1.00 0.00 C ATOM 1130 CG ASN A 72 -3.026 0.664 -9.865 1.00 0.00 C ATOM 1131 OD1 ASN A 72 -2.993 -0.505 -10.248 1.00 0.00 O ATOM 1132 ND2 ASN A 72 -4.068 1.459 -10.083 1.00 0.00 N ATOM 0 H ASN A 72 -0.475 2.550 -7.425 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.047 1.217 -7.327 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.782 2.330 -9.357 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.932 0.800 -9.442 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.882 1.106 -10.585 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.053 2.422 -9.748 1.00 0.00 H new ATOM 1139 N VAL A 73 -0.211 -0.471 -7.123 1.00 0.00 N ATOM 1140 CA VAL A 73 0.367 -1.755 -6.732 1.00 0.00 C ATOM 1141 C VAL A 73 -0.350 -2.330 -5.511 1.00 0.00 C ATOM 1142 O VAL A 73 -0.613 -3.530 -5.441 1.00 0.00 O ATOM 1143 CB VAL A 73 1.881 -1.614 -6.439 1.00 0.00 C ATOM 1144 CG1 VAL A 73 2.374 -2.702 -5.493 1.00 0.00 C ATOM 1145 CG2 VAL A 73 2.674 -1.640 -7.737 1.00 0.00 C ATOM 0 H VAL A 73 0.477 0.249 -7.346 1.00 0.00 H new ATOM 0 HA VAL A 73 0.236 -2.443 -7.567 1.00 0.00 H new ATOM 0 HB VAL A 73 2.036 -0.654 -5.947 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.441 -2.570 -5.311 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.834 -2.635 -4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.201 -3.680 -5.942 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.737 -1.540 -7.516 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.498 -2.584 -8.252 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.357 -0.814 -8.374 1.00 0.00 H new ATOM 1155 N VAL A 74 -0.670 -1.463 -4.557 1.00 0.00 N ATOM 1156 CA VAL A 74 -1.363 -1.892 -3.345 1.00 0.00 C ATOM 1157 C VAL A 74 -2.808 -2.282 -3.654 1.00 0.00 C ATOM 1158 O VAL A 74 -3.279 -3.330 -3.210 1.00 0.00 O ATOM 1159 CB VAL A 74 -1.357 -0.796 -2.259 1.00 0.00 C ATOM 1160 CG1 VAL A 74 -2.164 -1.229 -1.039 1.00 0.00 C ATOM 1161 CG2 VAL A 74 0.067 -0.439 -1.853 1.00 0.00 C ATOM 0 H VAL A 74 -0.463 -0.465 -4.597 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.822 -2.759 -2.965 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.827 0.092 -2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.143 -0.438 -0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.195 -1.421 -1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.731 -2.137 -0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.043 0.336 -1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.566 -1.324 -1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.612 -0.072 -2.723 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.509 -1.446 -4.430 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.894 -1.732 -4.800 1.00 0.00 C ATOM 1173 C ALA A 75 -5.024 -3.169 -5.285 1.00 0.00 C ATOM 1174 O ALA A 75 -6.084 -3.785 -5.177 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.376 -0.766 -5.874 1.00 0.00 C ATOM 0 H ALA A 75 -3.141 -0.574 -4.809 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.519 -1.601 -3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.409 -0.997 -6.134 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.316 0.255 -5.498 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.748 -0.864 -6.760 1.00 0.00 H new ATOM 1181 N ASP A 76 -3.924 -3.697 -5.810 1.00 0.00 N ATOM 1182 CA ASP A 76 -3.894 -5.066 -6.307 1.00 0.00 C ATOM 1183 C ASP A 76 -3.766 -6.060 -5.153 1.00 0.00 C ATOM 1184 O ASP A 76 -4.392 -7.120 -5.163 1.00 0.00 O ATOM 1185 CB ASP A 76 -2.731 -5.251 -7.284 1.00 0.00 C ATOM 1186 CG ASP A 76 -2.878 -6.503 -8.128 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -3.959 -6.693 -8.723 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -1.913 -7.292 -8.192 1.00 0.00 O ATOM 0 H ASP A 76 -3.040 -3.196 -5.902 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.832 -5.258 -6.828 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.667 -4.381 -7.938 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.796 -5.300 -6.726 1.00 0.00 H new ATOM 1193 N HIS A 77 -2.945 -5.714 -4.163 1.00 0.00 N ATOM 1194 CA HIS A 77 -2.731 -6.583 -3.008 1.00 0.00 C ATOM 1195 C HIS A 77 -4.025 -6.801 -2.219 1.00 0.00 C ATOM 1196 O HIS A 77 -4.314 -7.922 -1.802 1.00 0.00 O ATOM 1197 CB HIS A 77 -1.644 -6.009 -2.092 1.00 0.00 C ATOM 1198 CG HIS A 77 -0.379 -5.653 -2.813 1.00 0.00 C ATOM 1199 ND1 HIS A 77 -0.167 -5.930 -4.148 1.00 0.00 N ATOM 1200 CD2 HIS A 77 0.748 -5.041 -2.375 1.00 0.00 C ATOM 1201 CE1 HIS A 77 1.034 -5.504 -4.499 1.00 0.00 C ATOM 1202 NE2 HIS A 77 1.608 -4.961 -3.442 1.00 0.00 N ATOM 0 H HIS A 77 -2.419 -4.841 -4.138 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.400 -7.551 -3.385 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.032 -5.120 -1.595 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.416 -6.736 -1.313 1.00 0.00 H new ATOM 0 HD2 HIS A 77 0.935 -4.683 -1.373 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.471 -5.586 -5.483 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.541 -4.548 -3.421 1.00 0.00 H new ATOM 1211 N LEU A 78 -4.806 -5.737 -2.020 1.00 0.00 N ATOM 1212 CA LEU A 78 -6.059 -5.844 -1.288 1.00 0.00 C ATOM 1213 C LEU A 78 -7.003 -6.820 -1.988 1.00 0.00 C ATOM 1214 O LEU A 78 -7.867 -7.427 -1.354 1.00 0.00 O ATOM 1215 CB LEU A 78 -6.722 -4.467 -1.159 1.00 0.00 C ATOM 1216 CG LEU A 78 -6.021 -3.471 -0.223 1.00 0.00 C ATOM 1217 CD1 LEU A 78 -6.925 -2.281 0.054 1.00 0.00 C ATOM 1218 CD2 LEU A 78 -5.617 -4.145 1.081 1.00 0.00 C ATOM 0 H LEU A 78 -4.590 -4.798 -2.356 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.844 -6.223 -0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.785 -4.021 -2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.744 -4.609 -0.808 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.117 -3.116 -0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.415 -1.584 0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.164 -1.780 -0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.845 -2.625 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.123 -3.420 1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.505 -4.531 1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.934 -4.967 0.869 1.00 0.00 H new ATOM 1230 N GLN A 79 -6.825 -6.973 -3.297 1.00 0.00 N ATOM 1231 CA GLN A 79 -7.654 -7.882 -4.083 1.00 0.00 C ATOM 1232 C GLN A 79 -7.286 -9.335 -3.806 1.00 0.00 C ATOM 1233 O GLN A 79 -8.131 -10.138 -3.413 1.00 0.00 O ATOM 1234 CB GLN A 79 -7.496 -7.592 -5.577 1.00 0.00 C ATOM 1235 CG GLN A 79 -7.593 -6.117 -5.930 1.00 0.00 C ATOM 1236 CD GLN A 79 -8.642 -5.835 -6.989 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -9.402 -6.721 -7.378 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -8.686 -4.596 -7.464 1.00 0.00 N ATOM 0 H GLN A 79 -6.114 -6.479 -3.836 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.692 -7.722 -3.791 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.531 -7.973 -5.911 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.262 -8.139 -6.127 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.828 -5.547 -5.031 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.623 -5.768 -6.284 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.037 -3.892 -7.113 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.369 -4.348 -8.180 1.00 0.00 H new ATOM 1247 N ARG A 80 -6.019 -9.667 -4.026 1.00 0.00 N ATOM 1248 CA ARG A 80 -5.530 -11.022 -3.815 1.00 0.00 C ATOM 1249 C ARG A 80 -5.797 -11.499 -2.388 1.00 0.00 C ATOM 1250 O ARG A 80 -6.001 -12.691 -2.155 1.00 0.00 O ATOM 1251 CB ARG A 80 -4.031 -11.073 -4.133 1.00 0.00 C ATOM 1252 CG ARG A 80 -3.285 -12.215 -3.462 1.00 0.00 C ATOM 1253 CD ARG A 80 -1.914 -12.424 -4.086 1.00 0.00 C ATOM 1254 NE ARG A 80 -1.981 -13.245 -5.292 1.00 0.00 N ATOM 1255 CZ ARG A 80 -0.925 -13.834 -5.848 1.00 0.00 C ATOM 1256 NH1 ARG A 80 0.281 -13.695 -5.309 1.00 0.00 N ATOM 1257 NH2 ARG A 80 -1.074 -14.566 -6.944 1.00 0.00 N ATOM 0 H ARG A 80 -5.309 -9.011 -4.352 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.067 -11.695 -4.484 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.904 -11.157 -5.212 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -3.576 -10.130 -3.830 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.174 -12.004 -2.398 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -3.868 -13.132 -3.546 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.476 -11.456 -4.330 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.254 -12.899 -3.360 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.891 -13.375 -5.734 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.401 -13.135 -4.465 1.00 0.00 H new ATOM 0 HH12 ARG A 80 1.087 -14.148 -5.739 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.998 -14.678 -7.361 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.264 -15.017 -7.370 1.00 0.00 H new ATOM 1271 N MET A 81 -5.783 -10.574 -1.433 1.00 0.00 N ATOM 1272 CA MET A 81 -6.013 -10.928 -0.035 1.00 0.00 C ATOM 1273 C MET A 81 -7.501 -11.070 0.285 1.00 0.00 C ATOM 1274 O MET A 81 -7.866 -11.621 1.323 1.00 0.00 O ATOM 1275 CB MET A 81 -5.359 -9.900 0.896 1.00 0.00 C ATOM 1276 CG MET A 81 -5.890 -8.476 0.763 1.00 0.00 C ATOM 1277 SD MET A 81 -7.559 -8.270 1.416 1.00 0.00 S ATOM 1278 CE MET A 81 -7.349 -6.802 2.420 1.00 0.00 C ATOM 0 H MET A 81 -5.616 -9.581 -1.599 1.00 0.00 H new ATOM 0 HA MET A 81 -5.551 -11.901 0.132 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.496 -10.227 1.927 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.286 -9.890 0.705 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.217 -7.795 1.284 1.00 0.00 H new ATOM 0 HG3 MET A 81 -5.881 -8.190 -0.289 1.00 0.00 H new ATOM 0 HE1 MET A 81 -7.724 -6.992 3.425 1.00 0.00 H new ATOM 0 HE2 MET A 81 -6.291 -6.544 2.470 1.00 0.00 H new ATOM 0 HE3 MET A 81 -7.903 -5.975 1.976 1.00 0.00 H new ATOM 1349 N LEU A 87 -11.503 -4.775 -5.962 1.00 0.00 N ATOM 1350 CA LEU A 87 -11.284 -3.966 -4.744 1.00 0.00 C ATOM 1351 C LEU A 87 -11.889 -2.576 -4.836 1.00 0.00 C ATOM 1352 O LEU A 87 -11.342 -1.700 -5.506 1.00 0.00 O ATOM 1353 CB LEU A 87 -9.788 -3.800 -4.414 1.00 0.00 C ATOM 1354 CG LEU A 87 -9.326 -4.396 -3.078 1.00 0.00 C ATOM 1355 CD1 LEU A 87 -9.491 -3.373 -1.966 1.00 0.00 C ATOM 1356 CD2 LEU A 87 -10.074 -5.679 -2.729 1.00 0.00 C ATOM 0 HA LEU A 87 -11.784 -4.527 -3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.206 -4.258 -5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.551 -2.736 -4.416 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.272 -4.654 -3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -9.160 -3.806 -1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.891 -2.491 -2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.540 -3.088 -1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.712 -6.063 -1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.141 -5.469 -2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.904 -6.423 -3.508 1.00 0.00 H new ATOM 1368 N GLU A 88 -12.982 -2.353 -4.124 1.00 0.00 N ATOM 1369 CA GLU A 88 -13.586 -1.037 -4.116 1.00 0.00 C ATOM 1370 C GLU A 88 -12.656 -0.095 -3.365 1.00 0.00 C ATOM 1371 O GLU A 88 -12.652 -0.064 -2.135 1.00 0.00 O ATOM 1372 CB GLU A 88 -14.959 -1.074 -3.443 1.00 0.00 C ATOM 1373 CG GLU A 88 -15.703 0.251 -3.504 1.00 0.00 C ATOM 1374 CD GLU A 88 -16.965 0.250 -2.663 1.00 0.00 C ATOM 1375 OE1 GLU A 88 -17.033 -0.536 -1.696 1.00 0.00 O ATOM 1376 OE2 GLU A 88 -17.885 1.035 -2.974 1.00 0.00 O ATOM 0 H GLU A 88 -13.459 -3.053 -3.556 1.00 0.00 H new ATOM 0 HA GLU A 88 -13.730 -0.691 -5.139 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -15.566 -1.844 -3.918 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.835 -1.364 -2.400 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.044 1.050 -3.163 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.961 0.471 -4.540 1.00 0.00 H new ATOM 1383 N ILE A 89 -11.854 0.657 -4.108 1.00 0.00 N ATOM 1384 CA ILE A 89 -10.907 1.578 -3.498 1.00 0.00 C ATOM 1385 C ILE A 89 -10.957 2.944 -4.179 1.00 0.00 C ATOM 1386 O ILE A 89 -10.853 3.032 -5.402 1.00 0.00 O ATOM 1387 CB ILE A 89 -9.451 1.015 -3.543 1.00 0.00 C ATOM 1388 CG1 ILE A 89 -8.793 1.198 -4.923 1.00 0.00 C ATOM 1389 CG2 ILE A 89 -9.440 -0.455 -3.164 1.00 0.00 C ATOM 1390 CD1 ILE A 89 -9.160 0.126 -5.928 1.00 0.00 C ATOM 0 H ILE A 89 -11.841 0.647 -5.128 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.198 1.694 -2.454 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.869 1.587 -2.820 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.079 2.170 -5.324 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.710 1.210 -4.799 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.418 -0.832 -3.200 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.835 -0.574 -2.155 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.059 -1.016 -3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.657 0.326 -6.874 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.849 -0.848 -5.551 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.239 0.127 -6.084 1.00 0.00 H new ATOM 1402 N ALA A 90 -11.100 4.016 -3.398 1.00 0.00 N ATOM 1403 CA ALA A 90 -11.128 5.343 -3.991 1.00 0.00 C ATOM 1404 C ALA A 90 -9.746 5.967 -3.911 1.00 0.00 C ATOM 1405 O ALA A 90 -9.265 6.306 -2.830 1.00 0.00 O ATOM 1406 CB ALA A 90 -12.156 6.241 -3.308 1.00 0.00 C ATOM 0 H ALA A 90 -11.195 3.990 -2.383 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.422 5.244 -5.036 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.149 7.225 -3.777 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -13.148 5.799 -3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.907 6.341 -2.252 1.00 0.00 H new ATOM 1412 N TRP A 91 -9.115 6.111 -5.063 1.00 0.00 N ATOM 1413 CA TRP A 91 -7.784 6.692 -5.135 1.00 0.00 C ATOM 1414 C TRP A 91 -7.858 8.188 -5.403 1.00 0.00 C ATOM 1415 O TRP A 91 -8.589 8.638 -6.286 1.00 0.00 O ATOM 1416 CB TRP A 91 -6.962 6.007 -6.229 1.00 0.00 C ATOM 1417 CG TRP A 91 -7.566 6.136 -7.594 1.00 0.00 C ATOM 1418 CD1 TRP A 91 -8.445 5.275 -8.186 1.00 0.00 C ATOM 1419 CD2 TRP A 91 -7.336 7.188 -8.538 1.00 0.00 C ATOM 1420 NE1 TRP A 91 -8.775 5.727 -9.441 1.00 0.00 N ATOM 1421 CE2 TRP A 91 -8.107 6.900 -9.680 1.00 0.00 C ATOM 1422 CE3 TRP A 91 -6.553 8.346 -8.529 1.00 0.00 C ATOM 1423 CZ2 TRP A 91 -8.118 7.728 -10.800 1.00 0.00 C ATOM 1424 CZ3 TRP A 91 -6.564 9.166 -9.641 1.00 0.00 C ATOM 1425 CH2 TRP A 91 -7.342 8.855 -10.763 1.00 0.00 C ATOM 0 H TRP A 91 -9.503 5.833 -5.964 1.00 0.00 H new ATOM 0 HA TRP A 91 -7.296 6.537 -4.173 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.959 6.434 -6.241 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -6.855 4.950 -5.985 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -8.825 4.371 -7.734 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -9.413 5.265 -10.089 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -5.950 8.595 -7.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -8.717 7.489 -11.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -5.962 10.063 -9.645 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -7.330 9.517 -11.616 1.00 0.00 H new ATOM 1436 N GLN A 92 -7.096 8.956 -4.636 1.00 0.00 N ATOM 1437 CA GLN A 92 -7.073 10.405 -4.791 1.00 0.00 C ATOM 1438 C GLN A 92 -6.011 10.820 -5.806 1.00 0.00 C ATOM 1439 O GLN A 92 -5.016 10.121 -5.998 1.00 0.00 O ATOM 1440 CB GLN A 92 -6.802 11.080 -3.445 1.00 0.00 C ATOM 1441 CG GLN A 92 -7.917 10.883 -2.431 1.00 0.00 C ATOM 1442 CD GLN A 92 -7.659 11.620 -1.131 1.00 0.00 C ATOM 1443 OE1 GLN A 92 -7.570 11.009 -0.066 1.00 0.00 O ATOM 1444 NE2 GLN A 92 -7.536 12.939 -1.212 1.00 0.00 N ATOM 0 H GLN A 92 -6.486 8.600 -3.900 1.00 0.00 H new ATOM 0 HA GLN A 92 -8.049 10.725 -5.157 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.873 10.688 -3.032 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.653 12.148 -3.607 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.858 11.228 -2.859 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.032 9.819 -2.225 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -7.617 13.404 -2.116 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -7.360 13.487 -0.370 1.00 0.00 H new ATOM 1453 N PRO A 93 -6.214 11.966 -6.478 1.00 0.00 N ATOM 1454 CA PRO A 93 -5.277 12.473 -7.485 1.00 0.00 C ATOM 1455 C PRO A 93 -3.829 12.441 -7.012 1.00 0.00 C ATOM 1456 O PRO A 93 -2.924 12.149 -7.794 1.00 0.00 O ATOM 1457 CB PRO A 93 -5.724 13.914 -7.686 1.00 0.00 C ATOM 1458 CG PRO A 93 -7.182 13.907 -7.374 1.00 0.00 C ATOM 1459 CD PRO A 93 -7.380 12.857 -6.313 1.00 0.00 C ATOM 0 HA PRO A 93 -5.295 11.866 -8.390 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.182 14.592 -7.027 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.540 14.247 -8.707 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.509 14.885 -7.020 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.769 13.677 -8.263 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.410 13.296 -5.316 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.318 12.319 -6.453 1.00 0.00 H new ATOM 1467 N ALA A 94 -3.622 12.756 -5.731 1.00 0.00 N ATOM 1468 CA ALA A 94 -2.285 12.781 -5.128 1.00 0.00 C ATOM 1469 C ALA A 94 -1.722 14.198 -5.111 1.00 0.00 C ATOM 1470 O ALA A 94 -0.511 14.395 -5.205 1.00 0.00 O ATOM 1471 CB ALA A 94 -1.320 11.846 -5.851 1.00 0.00 C ATOM 0 H ALA A 94 -4.372 13.000 -5.084 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.391 12.429 -4.102 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.341 11.894 -5.374 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.698 10.825 -5.803 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.231 12.151 -6.894 1.00 0.00 H new